A0A3Q0KLG8_SCHMA Loading...

Lysyl oxidase-like

AlphaFold DB , UniProt , Accession A0A3Q0KLG8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 508 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	39.6	Very low	32.8	Very low	240 Å²	240	154 Å²	154	100%	1.182	81%	0.812	S	S	*	*				0	153.1	0	-96.7	174.5	157.9	0	0	108.3
2	S	39.1	Very low	32.3	Very low	113 Å²	113	158.9 Å²	158.9	79%	0.79	81%	0.811	S	S	*	*			trans	73.7	108.2	-173.6	65.5	0	0	0	0	114.9
3	R	31.9	Very low	32	Very low	233 Å²	233	155.3 Å²	155.3	88%	0.879	80%	0.795	S	S	*	*				50.2	131	54.6	-71.3	-165.5	178.5	-178.5	0.4	111
4	T	34.5	Very low	32	Very low	111 Å²	111	155.2 Å²	155.2	68%	0.681	79%	0.789	S	S	*	*			cis	-180	168.4	16.2	16.3	0	0	0	0	107.9
5	N	33.2	Very low	31.9	Very low	139 Å²	139	155.7 Å²	155.7	74%	0.743	79%	0.794	S	S	*	*			trans	86.8	109.9	156.6	-66.4	-10.1	0	0	0	117.2
6	S	30.8	Very low	31.9	Very low	98 Å²	98	153.2 Å²	153.2	69%	0.685	79%	0.789	S	S	*	*				76	110.1	51.8	-55.6	0	0	0	0	113.4
7	D	31.8	Very low	32	Very low	127 Å²	127	152.9 Å²	152.9	68%	0.679	79%	0.788	S	S	*	*				145.5	106.7	128.5	-82.7	-29	0	0	0	110.7
8	K	29.3	Very low	32.1	Very low	175 Å²	175	152.1 Å²	152.1	76%	0.761	78%	0.783	S	S	*	*				89.5	116.2	86.9	-83.6	179.9	-170.9	165.7	0	113.2
9	T	31	Very low	32.3	Very low	141 Å²	141	151.3 Å²	151.3	87%	0.865	78%	0.779	S	S	*	*				158.4	89	128	45.9	0	0	0	0	108
10	S	27.1	Very low	32.4	Very low	104 Å²	104	150.9 Å²	150.9	73%	0.727	78%	0.777	S	S	*	*				70.8	95.7	85.6	-179.2	0	0	0	0	114.9
11	F	32.6	Very low	32.5	Very low	213 Å²	213	149 Å²	149	93%	0.934	77%	0.773	S	S	*	*			trans	-144	103.2	130.8	-104.6	-83.8	0	0	0	109.3
12	R	26.9	Very low	32.4	Very low	213 Å²	213	143.4 Å²	143.4	80%	0.804	75%	0.752	S	S	*	*			trans	-55.1	152.9	154.8	-99.5	176.1	157.6	162.8	-6.4	108.3
13	N	28.3	Very low	32.3	Very low	112 Å²	112	144.9 Å²	144.9	60%	0.599	75%	0.749	S	S	*	*			cis	-166.8	128.9	38.9	-130	2.7	0	0	0	109.8
14	Q	32.6	Very low	32.6	Very low	154 Å²	154	139.1 Å²	139.1	72%	0.72	74%	0.74	S	S	*	*			trans	56.2	99.4	134.7	-66.6	176	-16.9	0	0	120.1	T16	Q14-T16 PolarHBondContact O-N 3.02Å
15	N	29.6	Very low	32.7	Very low	162 Å²	162	138.4 Å²	138.4	87%	0.866	74%	0.735	S	S	*	*			trans	-45.2	99.6	152.4	-72.4	-18.1	0	0	0	111.2
16	T	32.9	Very low	32.8	Very low	116 Å²	116	138.1 Å²	138.1	71%	0.712	73%	0.733	S	S	*	*			trans	-101.4	99.4	160.1	-54.5	0	0	0	0	106.3	Q14 I18	Q14-T16 PolarHBondContact O-N 3.02Å; T16-I18 PolarHBondContact O-N 3.32Å
17	I	33.1	Very low	33.1	Very low	149 Å²	149	141.9 Å²	141.9	76%	0.764	74%	0.738	S	S	*	*			trans	-68.4	100.3	172.9	-67.2	169.5	0	0	0	106.2	I19	I17-I19 PolarHBondContact O-N 3.2Å; I17-I19 VanDerWaalsContact O-N 3.15Å
18	I	33.7	Very low	33.5	Very low	138 Å²	138	143.5 Å²	143.5	71%	0.708	75%	0.746	S	S	*	*			trans	-72.2	103.9	172.6	-61.8	174.5	0	0	0	106.3	T16 I20	T16-I18 PolarHBondContact O-N 3.32Å; I18-I20 HydrophobicContact CG2-CG1 4.42Å; I18-I20 PolarHBondContact O-N 3.24Å
19	I	35.1	Very low	34.3	Very low	137 Å²	137	142 Å²	142	70%	0.703	75%	0.745	S	S	*	*			trans	-66.1	101.3	168.3	-60	174.7	0	0	0	105.9	I17 T21	I17-I19 PolarHBondContact O-N 3.2Å; I17-I19 VanDerWaalsContact O-N 3.15Å; I19-T21 HydrophobicContact CG2-CG2 4.48Å; I19-T21 PolarHBondContact O-N 3.15Å
20	I	35.2	Very low	34.8	Very low	142 Å²	142	138.7 Å²	138.7	73%	0.728	73%	0.731	S	S	*	*			trans	-71.8	86.5	170.5	-57.5	175	0	0	0	106.1	I18 T22	I18-I20 HydrophobicContact CG2-CG1 4.42Å; I18-I20 PolarHBondContact O-N 3.24Å; I20-T22 PolarHBondContact O-N 2.75Å
21	T	34.6	Very low	35.8	Very low	113 Å²	113	141 Å²	141	69%	0.693	74%	0.735	S	S	*	*			trans	-59.9	104	161	30.7	0	0	0	0	107.1	I19 I23	I19-T21 HydrophobicContact CG2-CG2 4.48Å; I19-T21 PolarHBondContact O-N 3.15Å; T21-I23 PolarHBondContact O-N 2.9Å
22	T	37.7	Very low	36.5	Very low	122 Å²	122	137.5 Å²	137.5	75%	0.748	73%	0.725	S	S	*	*			trans	-59.3	104.1	169.8	-15.8	0	0	0	0	106.2	I20 V24	I20-T22 PolarHBondContact O-N 2.75Å; T22-V24 VanDerWaalsContact C-N 3.27Å; T22-V24 PolarHBondContact O-N 3.45Å
23	I	36	Very low	37.3	Very low	144 Å²	144	135.6 Å²	135.6	74%	0.738	73%	0.725	S	S	*	*			trans	-66.3	98.5	168.4	-63.3	173.8	0	0	0	104.7	T21 V25	T21-I23 PolarHBondContact O-N 2.9Å; I23-V25 HydrophobicContact CG2-CG2 4.1Å; I23-V25 PolarHBondContact O-N 3.42Å
24	V	38.5	Very low	38.5	Very low	111 Å²	111	135.8 Å²	135.8	67%	0.673	73%	0.734	S	S	*	*			trans	-62.1	98.1	160.6	-178.7	0	0	0	0	104.1	T22 D26	T22-V24 VanDerWaalsContact C-N 3.27Å; T22-V24 PolarHBondContact O-N 3.45Å; V24-D26 PolarHBondContact O-N 3.44Å
25	V	36.5	Very low	39.7	Very low	97 Å²	97	133 Å²	133	59%	0.588	73%	0.732	S	S	*	*			trans	-69.2	95.9	166.3	-168.8	0	0	0	0	103.3	I23 F27	I23-V25 HydrophobicContact CG2-CG2 4.1Å; I23-V25 PolarHBondContact O-N 3.42Å; V25-F27 PolarHBondContact O-N 3.33Å
26	D	36.1	Very low	41.5	Very low	132 Å²	132	129.6 Å²	129.6	71%	0.706	72%	0.721	S	S	*	*			trans	-56.2	92.7	164.8	-77	-30.7	0	0	0	105.8	V24 L28	V24-D26 PolarHBondContact O-N 3.44Å; D26-L28 PolarHBondContact O-N 3.22Å
27	F	37.2	Very low	43.8	Very low	177 Å²	177	128.8 Å²	128.8	78%	0.776	72%	0.715	S	S	*	*			trans	-61.7	89.9	159.2	-83.4	-87.2	0	0	0	104.4	V25 I29	V25-F27 PolarHBondContact O-N 3.33Å; F27-I29 PolarHBondContact O-N 2.7Å
28	L	39.9	Very low	46.5	Very low	162 Å²	162	124.2 Å²	124.2	85%	0.848	69%	0.692	S	S	*	*			trans	-51.1	95.3	153.5	-81	159.1	0	0	0	104.6	D26 A30	D26-L28 PolarHBondContact O-N 3.22Å; L28-A30 PolarHBondContact O-N 3.33Å
29	I	44.9	Very low	49.3	Very low	144 Å²	144	124.9 Å²	124.9	74%	0.738	69%	0.687	S	S	*	*			trans	-62.1	88.2	160.7	-48.2	174.7	0	0	0	102	F27 N31	F27-I29 PolarHBondContact O-N 2.7Å; I29-N31 VanDerWaalsContact C-N 3.33Å; I29-N31 PolarHBondContact O-N 3.28Å
30	A	42.9	Very low	52	Low	70 Å²	70	121.9 Å²	121.9	58%	0.579	67%	0.672	S	S	*	*			trans	-49.9	114.1	162	0	0	0	0	0	103.2	L28 I32	L28-A30 PolarHBondContact O-N 3.33Å; A30-I32 HydrophobicContact CB-CG1 4.39Å; A30-I32 PolarHBondContact O-N 3.02Å
31	N	46.8	Very low	54.8	Low	153 Å²	153	115.1 Å²	115.1	82%	0.818	64%	0.637	S	S	*	*			trans	-58.5	83.6	165.7	-73.9	-40.4	0	0	0	104.7	I29 Q33	I29-N31 VanDerWaalsContact C-N 3.33Å; I29-N31 PolarHBondContact O-N 3.28Å; N31-Q33 PolarHBondContact O-N 3.5Å
32	I	47.8	Very low	57.8	Low	139 Å²	139	111.4 Å²	111.4	71%	0.713	61%	0.614	S	S	*	*			trans	-68.2	83.1	164.5	-64.3	170.8	0	0	0	101.8	A30 C34	A30-I32 HydrophobicContact CB-CG1 4.39Å; A30-I32 PolarHBondContact O-N 3.02Å; I32-C34 PolarHBondContact O-N 3.3Å
33	Q	44.7	Very low	60.6	Low	174 Å²	174	106.4 Å²	106.4	81%	0.813	58%	0.582	S	S	*	*			trans	-57.4	100	158.9	-169.4	160.8	-20.1	0	0	102.7	N31 S35	N31-Q33 PolarHBondContact O-N 3.5Å; Q33-S35 PolarHBondContact O-N 3.34Å
34	C	53.4	Low	63.4	Low	115 Å²	115	103 Å²	103	78%	0.777	56%	0.562	S	S	*	*			trans	-58.4	88.6	170	-89.1	0	0	0	0	105.7	I32 S36	I32-C34 PolarHBondContact O-N 3.3Å; C34-S36 VanDerWaalsContact C-N 3.25Å; C34-S36 PolarHBondContact O-N 2.65Å
35	S	56.8	Low	66.1	Low	97 Å²	97	99.1 Å²	99.1	68%	0.678	54%	0.537	S	S	*	.			trans	-64.8	100	161.5	53.9	0	0	0	0	104	Q33 V37	Q33-S35 PolarHBondContact O-N 3.34Å; S35-V37 PolarHBondContact O-N 3.42Å
36	S	67.5	Low	68.8	Low	90 Å²	90	96.2 Å²	96.2	63%	0.629	52%	0.519	S	S	*	.			trans	-54	111.4	172.9	53.5	0	0	0	0	107.3	C34 N38	C34-S36 VanDerWaalsContact C-N 3.25Å; C34-S36 PolarHBondContact O-N 2.65Å; S36-N38 PolarHBondContact O-N 3.44Å
37	V	82.4	Confident	71.4	Confident	99 Å²	99	93.7 Å²	93.7	60%	0.6	51%	0.506	S	S	*	.			trans	-65.4	116	171.1	178.8	0	0	0	0	105.7	S35 Y39	S35-V37 PolarHBondContact O-N 3.42Å; V37-Y39 HydrophobicContact CB-CE2 4.43Å; V37-Y39 HydrophobicContact CG1-CE1 4.33Å; V37-Y39 HydrophobicContact CG1-CE2 4.33Å; V37-Y39 WeakPolarHBondContact O-CD2 3.37Å; V37-Y39 WeakPolarHBondContact O-CE2 3.46Å
38	N	88.4	Confident	73.7	Confident	52 Å²	52	86.4 Å²	86.4	28%	0.278	48%	0.481	S	S	.	.			trans	-84.1	135.7	175.8	-58.4	-58.2	0	0	0	108.9	S36 Y59	S36-N38 PolarHBondContact O-N 3.44Å; N38-Y59 HydrophobicContact CB-CD1 3.51Å; N38-Y59 HydrophobicContact CB-CD2 3.71Å; N38-Y59 HydrophobicContact CB-CE1 3.49Å; N38-Y59 VanDerWaalsContact CB-CE1 3.49Å; N38-Y59 HydrophobicContact CB-CE2 3.69Å; N38-Y59 HydrophobicContact CB-CG 3.6Å; N38-Y59 WeakPolarHBondContact O-CE1 3.42Å
39	Y	92.2	Very high	75.6	Confident	153 Å²	153	83.5 Å²	83.5	60%	0.6	47%	0.471	S	S	*	.			trans	-106.5	154.4	175.6	-60.4	-87.4	0	0	0	110.6	V37 G41 D42 Y59	V37-Y39 HydrophobicContact CB-CE2 4.43Å; V37-Y39 HydrophobicContact CG1-CE1 4.33Å; V37-Y39 HydrophobicContact CG1-CE2 4.33Å; V37-Y39 WeakPolarHBondContact O-CD2 3.37Å; V37-Y39 WeakPolarHBondContact O-CE2 3.46Å; Y39-G41 PolarHBondContact O-N 3.42Å; Y39-D42 PolarHBondContact N-OD2 2.6Å; Y39-D42 VanDerWaalsContact O-CB 3.3Å; Y39-D42 WeakPolarHBondContact O-CB 3.13Å; Y39-D42 PolarHBondContact O-N 3.29Å; Y39-Y59 WeakPolarHBondContact O-CD1 3.17Å
40	D	93.2	Very high	77.3	Confident	73 Å²	73	79 Å²	79	39%	0.39	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	127.6	177.3	-83	23.4	0	0	0	111	T61 R119	D40-T61 WeakPolarHBondContact OD1-CA 3.32Å; D40-T61 PolarHBondContact OD1-N 3Å; D40-T61 PolarHBondContact OD1-OG1 2.71Å; D40-T61 PolarHBondContact OD2-OG1 3.42Å; D40-R119 PolarHBondContact O-NH2 3.32Å
41	G	94.2	Very high	79.3	Confident	0 Å²	0	83.2 Å²	83.2	0%	0	46%	0.461	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.8	2.7	-177	0	0	0	0	0	115.4	Y39 Y59 Q83 R119 T121	Y39-G41 PolarHBondContact O-N 3.42Å; G41-Y59 PolarHBondContact N-O 3.18Å; G41-Q83 PolarHBondContact O-NE2 3.2Å; G41-R119 PolarHBondContact O-NH2 3.32Å; G41-T121 VanDerWaalsContact CA-CG2 3.46Å
42	D	96.1	Very high	81.2	Confident	36 Å²	36	77.9 Å²	77.9	19%	0.193	43%	0.431	C	S	.	.			trans	-64.1	146.2	168.8	-69.7	-5.4	0	0	0	109.9	Y39 V58 Y59 W64 R119	Y39-D42 PolarHBondContact N-OD2 2.6Å; Y39-D42 VanDerWaalsContact O-CB 3.3Å; Y39-D42 WeakPolarHBondContact O-CB 3.13Å; Y39-D42 PolarHBondContact O-N 3.29Å; D42-V58 CarbonylContact O-C 3.59Å; D42-V58 WeakPolarHBondContact O-CA 3.19Å; D42-Y59 PolarHBondContact O-N 3.31Å; D42-W64 HydrophobicContact CB-CH2 4.49Å; D42-R119 IonicContact OD1-CZ 2.67Å; D42-R119 IonicContact OD1-NH1 3.61Å; D42-R119 IonicContact OD1-NH2 2.79Å; D42-R119 PolarHBondContact OD1-NH2 3.37Å
43	I	96.7	Very high	83.2	Confident	16 Å²	16	71.9 Å²	71.9	8%	0.082	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	156.1	-176.1	60.9	173.2	0	0	0	110.9	L57 V58 V80 Q83 L84 L120	I43-L57 CarbonylContact C-O 3.57Å; I43-L57 WeakPolarHBondContact CA-O 2.99Å; I43-V58 HydrophobicContact CG2-CB 4.16Å; I43-V58 HydrophobicContact CG2-CG2 4.08Å; I43-V80 HydrophobicContact CD1-CB 4.08Å; I43-V80 HydrophobicContact CD1-CG1 3.91Å; I43-V80 HydrophobicContact CD1-CG2 4.12Å; I43-Q83 HydrophobicContact CD1-CB 3.81Å; I43-Q83 HydrophobicContact CD1-CG 3.82Å; I43-Q83 HydrophobicContact CG1-CB 4.45Å; I43-Q83 HydrophobicContact CG1-CG 3.95Å; I43-L84 HydrophobicContact CD1-CD1 4.37Å; I43-L84 HydrophobicContact CD1-CD2 4.38Å; I43-L84 HydrophobicContact CD1-CG 3.91Å; I43-L84 HydrophobicContact CG1-CD2 3.84Å; I43-L84 HydrophobicContact CG1-CG 3.93Å; I43-L84 VanDerWaalsContact O-CD2 3.32Å; I43-L84 WeakPolarHBondContact O-CD2 3.49Å; I43-L120 HydrophobicContact CG2-CD2 4.46Å
44	K	95.3	Very high	85.5	Confident	74 Å²	74	63.6 Å²	63.6	32%	0.322	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	159.6	171	71.1	-176.6	180	-174.6	0	111.2	V46 L57 W64	K44-V46 HydrophobicContact CD-CG1 4.22Å; K44-V46 HydrophobicContact CG-CG1 4.21Å; K44-L57 HydrophobicContact CG-CB 4.15Å; K44-L57 PolarHBondContact N-O 3.4Å; K44-L57 PolarHBondContact O-N 2.91Å; K44-W64 HydrophobicContact CB-CH2 3.91Å; K44-W64 HydrophobicContact CB-CZ3 4.02Å; K44-W64 HydrophobicContact CD-CD2 4Å; K44-W64 HydrophobicContact CD-CE3 4Å; K44-W64 HydrophobicContact CD-CH2 3.73Å; K44-W64 HydrophobicContact CD-CZ2 3.72Å; K44-W64 HydrophobicContact CD-CZ3 3.87Å; K44-W64 HydrophobicContact CG-CD2 4.4Å; K44-W64 HydrophobicContact CG-CE3 3.89Å; K44-W64 HydrophobicContact CG-CH2 3.74Å; K44-W64 HydrophobicContact CG-CZ2 4.26Å; K44-W64 HydrophobicContact CG-CZ3 3.54Å
45	L	94.8	Very high	87.6	Confident	29 Å²	29	58.2 Å²	58.2	15%	0.152	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	139.2	170.4	-54.8	-176.9	0	0	0	110	T55 V56 V80 L84 M86 V141	L45-T55 WeakPolarHBondContact CA-O 3.35Å; L45-V56 HydrophobicContact CD2-CG2 3.9Å; L45-V80 HydrophobicContact CD2-CG1 4.17Å; L45-L84 HydrophobicContact CD1-CD1 3.97Å; L45-L84 HydrophobicContact CD2-CD1 3.97Å; L45-L84 HydrophobicContact CG-CD1 3.62Å; L45-M86 HydrophobicContact CD1-SD 4.22Å; L45-V141 HydrophobicContact CD1-CG2 3.89Å; L45-V141 HydrophobicContact CD2-CG2 3.55Å; L45-V141 HydrophobicContact CG-CG2 4.39Å
46	V	93.3	Very high	89.5	Confident	35 Å²	35	53.7 Å²	53.7	21%	0.212	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	170.5	176.3	-63	0	0	0	0	110.8	K44 G48 G54 T55 L57	K44-V46 HydrophobicContact CD-CG1 4.22Å; K44-V46 HydrophobicContact CG-CG1 4.21Å; V46-G48 PolarHBondContact O-N 3.34Å; V46-G54 CarbonylContact O-C 3.53Å; V46-G54 WeakPolarHBondContact O-CA 3.08Å; V46-T55 PolarHBondContact N-O 2.91Å; V46-T55 PolarHBondContact O-N 2.9Å; V46-L57 HydrophobicContact CB-CD1 4.49Å; V46-L57 HydrophobicContact CG1-CD1 3.97Å; V46-L57 HydrophobicContact CG2-CD1 3.65Å; V46-L57 HydrophobicContact CG2-CG 3.84Å
47	D	91.3	Very high	90.9	Very high	79 Å²	79	49.9 Å²	49.9	42%	0.422	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	64.5	-12.4	172.9	-45.6	-39.8	0	0	0	117.1	T55 F98 S100	D47-T55 PolarHBondContact OD2-OG1 3.35Å; D47-F98 HydrophobicContact CB-CB 3.88Å; D47-S100 WeakPolarHBondContact OD2-CA 3.34Å; D47-S100 WeakPolarHBondContact OD2-CB 3.09Å; D47-S100 PolarHBondContact OD2-OG 3.46Å
48	G	85.9	Confident	91.6	Very high	24 Å²	24	45.1 Å²	45.1	25%	0.247	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	171.6	-179	0	0	0	0	0	114.5	V46 S50 T53	V46-G48 PolarHBondContact O-N 3.34Å; G48-S50 VanDerWaalsContact C-N 3.26Å; G48-S50 PolarHBondContact O-N 3.08Å; G48-T53 WeakPolarHBondContact CA-O 3.4Å
49	P	80.1	Confident	92	Very high	101 Å²	101	44.7 Å²	44.7	66%	0.656	23%	0.232	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	-7.6	-170.6	31.4	-37.6	0	0	0	114.5	T53	P49-T53 HydrophobicContact CG-CG2 4.24Å
50	S	79.8	Confident	92.1	Very high	51 Å²	51	40.5 Å²	40.5	36%	0.357	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	166.1	-179.1	63.2	0	0	0	0	110.1	G48 Q52 T53	G48-S50 VanDerWaalsContact C-N 3.26Å; G48-S50 PolarHBondContact O-N 3.08Å; S50-Q52 PolarHBondContact O-N 3.38Å; S50-Q52 VanDerWaalsContact O-N 3.14Å; S50-T53 PolarHBondContact O-N 2.9Å; S50-T53 VanDerWaalsContact O-N 3.15Å; S50-T53 PolarHBondContact OG-OG1 2.99Å
51	E	84.5	Confident	91.9	Very high	157 Å²	157	42 Å²	42	73%	0.734	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-21.5	176.8	-64.7	-179.4	168.6	0	0	113.6	M86	E51-M86 VanDerWaalsContact O-CE 3.27Å; E51-M86 WeakPolarHBondContact O-CE 3.35Å
52	Q	86.8	Confident	91.7	Very high	42 Å²	42	48.8 Å²	48.8	20%	0.196	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-4.6	-179.4	-63.6	76.5	47.4	0	0	113.4	S50 M86 C143	S50-Q52 PolarHBondContact O-N 3.38Å; S50-Q52 VanDerWaalsContact O-N 3.14Å; Q52-M86 HydrophobicContact CG-SD 4.29Å; Q52-C143 HydrophobicContact CB-CB 4.33Å; Q52-C143 PolarHBondContact O-N 3.27Å
53	T	89.1	Confident	91.5	Very high	13 Å²	13	48.1 Å²	48.1	8%	0.08	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	128.5	-174.4	-51.7	0	0	0	0	109.4	G48 P49 S50 F98 V141 K142	G48-T53 WeakPolarHBondContact CA-O 3.4Å; P49-T53 HydrophobicContact CG-CG2 4.24Å; S50-T53 PolarHBondContact O-N 2.9Å; S50-T53 VanDerWaalsContact O-N 3.15Å; S50-T53 PolarHBondContact OG-OG1 2.99Å; T53-F98 HydrophobicContact CG2-CE1 3.64Å; T53-F98 HydrophobicContact CG2-CZ 3.5Å; T53-F98 VanDerWaalsContact CG2-CZ 3.5Å; T53-V141 WeakPolarHBondContact CA-O 3.4Å; T53-K142 HydrophobicContact CG2-CB 4.11Å; T53-K142 HydrophobicContact CG2-CG 4.31Å; T53-K142 WeakPolarHBondContact OG1-CG 3.32Å
54	G	94.1	Very high	91.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.3	-178.3	176.2	0	0	0	0	0	115.3	V46 F98 G140 V141	V46-G54 CarbonylContact O-C 3.53Å; V46-G54 WeakPolarHBondContact O-CA 3.08Å; G54-F98 VanDerWaalsContact C-CD2 3.43Å; G54-F98 VanDerWaalsContact CA-CE2 3.5Å; G54-F98 WeakPolarHBondContact O-CE2 3.19Å; G54-G140 CarbonylContact O-C 3.58Å; G54-G140 WeakPolarHBondContact O-CA 3.43Å; G54-V141 PolarHBondContact N-O 3.46Å; G54-V141 PolarHBondContact O-N 2.97Å
55	T	96.4	Very high	91.5	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	134.1	172.3	-56.3	0	0	0	0	110	L45 V46 D47 E138	L45-T55 WeakPolarHBondContact CA-O 3.35Å; V46-T55 PolarHBondContact N-O 2.91Å; V46-T55 PolarHBondContact O-N 2.9Å; D47-T55 PolarHBondContact OD2-OG1 3.35Å; T55-E138 HydrophobicContact CG2-CB 3.8Å; T55-E138 HydrophobicContact CG2-CG 4.17Å
56	V	97.4	Very high	91.5	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	122.2	179.8	-175.9	0	0	0	0	109.9	L45 V67 W72 V80 L120 A139 V141	L45-V56 HydrophobicContact CD2-CG2 3.9Å; V56-V67 HydrophobicContact CB-CG2 4.47Å; V56-V67 HydrophobicContact CG1-CG2 3.99Å; V56-W72 HydrophobicContact CG2-CZ2 4.17Å; V56-V80 HydrophobicContact CG1-CG1 4.46Å; V56-V80 HydrophobicContact CG1-CG2 4.09Å; V56-V80 HydrophobicContact CG2-CG1 4.08Å; V56-V80 HydrophobicContact CG2-CG2 4.35Å; V56-L120 HydrophobicContact CG1-CD2 4.4Å; V56-A139 PolarHBondContact N-O 1.98Å; V56-V141 HydrophobicContact CG2-CG1 3.92Å; V56-V141 HydrophobicContact CG2-CG2 4.16Å
57	L	96.5	Very high	91.7	Very high	10 Å²	10	44.8 Å²	44.8	5%	0.052	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	142.5	167	-60.9	-178.7	0	0	0	110.1	I43 K44 V46 W64 G65 K66	I43-L57 CarbonylContact C-O 3.57Å; I43-L57 WeakPolarHBondContact CA-O 2.99Å; K44-L57 HydrophobicContact CG-CB 4.15Å; K44-L57 PolarHBondContact N-O 3.4Å; K44-L57 PolarHBondContact O-N 2.91Å; V46-L57 HydrophobicContact CB-CD1 4.49Å; V46-L57 HydrophobicContact CG1-CD1 3.97Å; V46-L57 HydrophobicContact CG2-CD1 3.65Å; V46-L57 HydrophobicContact CG2-CG 3.84Å; L57-W64 HydrophobicContact CB-CE3 3.78Å; L57-W64 HydrophobicContact CB-CZ3 4.43Å; L57-W64 HydrophobicContact CD1-CB 4.5Å; L57-W64 WeakPolarHBondContact O-CZ3 3.38Å; L57-G65 CarbonylContact C-O 3.57Å; L57-G65 WeakPolarHBondContact CA-O 3.34Å; L57-K66 HydrophobicContact CD2-CB 4.45Å; L57-K66 HydrophobicContact CD2-CG 3.93Å
58	V	97.3	Very high	92	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	140.4	174.7	63.6	0	0	0	0	110	D42 I43 W64 G65 V67 L107 M108 W128	D42-V58 CarbonylContact O-C 3.59Å; D42-V58 WeakPolarHBondContact O-CA 3.19Å; I43-V58 HydrophobicContact CG2-CB 4.16Å; I43-V58 HydrophobicContact CG2-CG2 4.08Å; V58-W64 CarbonylContact O-C 3.58Å; V58-W64 WeakPolarHBondContact O-CA 3.03Å; V58-G65 PolarHBondContact N-O 2.8Å; V58-G65 PolarHBondContact O-N 2.67Å; V58-V67 HydrophobicContact CB-CG2 4.3Å; V58-V67 HydrophobicContact CG1-CG2 4.01Å; V58-L107 HydrophobicContact CG1-CB 3.83Å; V58-L107 HydrophobicContact CG1-CD1 4.11Å; V58-L107 WeakPolarHBondContact O-CD1 3.46Å; V58-M108 HydrophobicContact CB-SD 4.31Å; V58-M108 HydrophobicContact CG1-CG 4.08Å; V58-M108 HydrophobicContact CG1-SD 4.02Å; V58-M108 HydrophobicContact CG2-SD 4.01Å; V58-W128 HydrophobicContact CG1-CZ3 4.1Å; V58-W128 HydrophobicContact CG2-CH2 3.91Å; V58-W128 HydrophobicContact CG2-CZ3 4Å
59	Y	96.2	Very high	92.5	Very high	42 Å²	42	40.3 Å²	40.3	17%	0.165	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	141	178.6	-172.3	-96.1	0	0	0	111	N38 Y39 G41 D42 W64	N38-Y59 HydrophobicContact CB-CD1 3.51Å; N38-Y59 HydrophobicContact CB-CD2 3.71Å; N38-Y59 HydrophobicContact CB-CE1 3.49Å; N38-Y59 VanDerWaalsContact CB-CE1 3.49Å; N38-Y59 HydrophobicContact CB-CE2 3.69Å; N38-Y59 HydrophobicContact CB-CG 3.6Å; N38-Y59 WeakPolarHBondContact O-CE1 3.42Å; Y39-Y59 WeakPolarHBondContact O-CD1 3.17Å; G41-Y59 PolarHBondContact N-O 3.18Å; D42-Y59 PolarHBondContact O-N 3.31Å; Y59-W64 AromaticContact CD2-CD1 3.86Å; Y59-W64 AromaticContact CD2-CD2 3.96Å; Y59-W64 HydrophobicContact CD2-CD2 3.96Å; Y59-W64 AromaticContact CD2-CE2 3.75Å; Y59-W64 HydrophobicContact CD2-CG 4.04Å; Y59-W64 HydrophobicContact CD2-CZ2 4.29Å; Y59-W64 AromaticContact CD2-NE1 3.68Å
60	R	94.7	Very high	93.2	Very high	65 Å²	65	37.8 Å²	37.8	25%	0.245	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	166.1	164.9	-163.2	159	-177.2	-137.8	10.5	108.4	Y62 G63 L107 W128	R60-Y62 HydrophobicContact CB-CE1 4.13Å; R60-Y62 HydrophobicContact CB-CE2 4.48Å; R60-Y62 WeakPolarHBondContact CD-OH 3.46Å; R60-Y62 HydrophobicContact CG-CD1 4.22Å; R60-Y62 HydrophobicContact CG-CE1 3.67Å; R60-Y62 PolarHBondContact NH1-OH 3.02Å; R60-Y62 PolarHBondContact O-N 3.24Å; R60-G63 PolarHBondContact N-O 3.29Å; R60-G63 PolarHBondContact O-N 2.96Å; R60-G63 VanDerWaalsContact O-O 3.11Å; R60-L107 HydrophobicContact CB-CD1 4.32Å; R60-W128 VanDerWaalsContact CD-CD2 3.46Å
61	T	89.7	Confident	93.7	Very high	104 Å²	104	40.5 Å²	40.5	64%	0.638	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-42.4	-32.3	-175.4	-53.9	0	0	0	0	114.6	D40	D40-T61 WeakPolarHBondContact OD1-CA 3.32Å; D40-T61 PolarHBondContact OD1-N 3Å; D40-T61 PolarHBondContact OD1-OG1 2.71Å; D40-T61 PolarHBondContact OD2-OG1 3.42Å
62	Y	89	Confident	94.2	Very high	143 Å²	143	33 Å²	33	56%	0.561	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.6	8.3	-179.2	51	-96.7	0	0	0	115.5	R60 L107	R60-Y62 HydrophobicContact CB-CE1 4.13Å; R60-Y62 HydrophobicContact CB-CE2 4.48Å; R60-Y62 WeakPolarHBondContact CD-OH 3.46Å; R60-Y62 HydrophobicContact CG-CD1 4.22Å; R60-Y62 HydrophobicContact CG-CE1 3.67Å; R60-Y62 PolarHBondContact NH1-OH 3.02Å; R60-Y62 PolarHBondContact O-N 3.24Å; Y62-L107 HydrophobicContact CE2-CD2 3.61Å
63	G	93	Very high	94.4	Very high	22 Å²	22	33.5 Å²	33.5	23%	0.227	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	130.6	-176.8	173	0	0	0	0	0	115.2	R60	R60-G63 PolarHBondContact N-O 3.29Å; R60-G63 PolarHBondContact O-N 2.96Å; R60-G63 VanDerWaalsContact O-O 3.11Å
64	W	95.4	Very high	94.3	Very high	64 Å²	64	36.8 Å²	36.8	24%	0.242	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	143.9	173.4	-68.1	93.9	0	0	0	110.9	D42 K44 L57 V58 Y59 A104	D42-W64 HydrophobicContact CB-CH2 4.49Å; K44-W64 HydrophobicContact CB-CH2 3.91Å; K44-W64 HydrophobicContact CB-CZ3 4.02Å; K44-W64 HydrophobicContact CD-CD2 4Å; K44-W64 HydrophobicContact CD-CE3 4Å; K44-W64 HydrophobicContact CD-CH2 3.73Å; K44-W64 HydrophobicContact CD-CZ2 3.72Å; K44-W64 HydrophobicContact CD-CZ3 3.87Å; K44-W64 HydrophobicContact CG-CD2 4.4Å; K44-W64 HydrophobicContact CG-CE3 3.89Å; K44-W64 HydrophobicContact CG-CH2 3.74Å; K44-W64 HydrophobicContact CG-CZ2 4.26Å; K44-W64 HydrophobicContact CG-CZ3 3.54Å; L57-W64 HydrophobicContact CB-CE3 3.78Å; L57-W64 HydrophobicContact CB-CZ3 4.43Å; L57-W64 HydrophobicContact CD1-CB 4.5Å; L57-W64 WeakPolarHBondContact O-CZ3 3.38Å; V58-W64 CarbonylContact O-C 3.58Å; V58-W64 WeakPolarHBondContact O-CA 3.03Å; Y59-W64 AromaticContact CD2-CD1 3.86Å; Y59-W64 AromaticContact CD2-CD2 3.96Å; Y59-W64 HydrophobicContact CD2-CD2 3.96Å; Y59-W64 AromaticContact CD2-CE2 3.75Å; Y59-W64 HydrophobicContact CD2-CG 4.04Å; Y59-W64 HydrophobicContact CD2-CZ2 4.29Å; Y59-W64 AromaticContact CD2-NE1 3.68Å; W64-A104 WeakPolarHBondContact O-CB 3.33Å
65	G	95.9	Very high	94.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	173.8	169.8	0	0	0	0	0	114	L57 V58 N105	L57-G65 CarbonylContact C-O 3.57Å; L57-G65 WeakPolarHBondContact CA-O 3.34Å; V58-G65 PolarHBondContact N-O 2.8Å; V58-G65 PolarHBondContact O-N 2.67Å; G65-N105 CarbonylContact C-O 3.04Å; G65-N105 WeakPolarHBondContact CA-O 3.42Å
66	K	96.1	Very high	94.1	Very high	19 Å²	19	42.2 Å²	42.2	8%	0.083	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	152.2	-164.6	-52.9	-176.6	-50.5	-175.7	0	110.7	L57 A104 N105 Y106 L107 E138	L57-K66 HydrophobicContact CD2-CB 4.45Å; L57-K66 HydrophobicContact CD2-CG 3.93Å; K66-A104 WeakPolarHBondContact CD-O 3.49Å; K66-A104 WeakPolarHBondContact CE-O 3.45Å; K66-A104 HydrophobicContact CG-CB 4.31Å; K66-N105 PolarHBondContact N-O 3.02Å; K66-Y106 HydrophobicContact CB-CD1 3.63Å; K66-Y106 HydrophobicContact CB-CE1 3.84Å; K66-Y106 HydrophobicContact CB-CG 4.15Å; K66-Y106 CarbonylContact O-C 3.52Å; K66-Y106 WeakPolarHBondContact O-CA 3.21Å; K66-L107 PolarHBondContact O-N 3.41Å; K66-E138 HydrophobicContact CB-CG 4.39Å; K66-E138 HydrophobicContact CD-CG 3.72Å; K66-E138 WeakPolarHBondContact CD-OE1 3.38Å; K66-E138 WeakPolarHBondContact CE-OE1 3.01Å; K66-E138 HydrophobicContact CG-CG 4.38Å; K66-E138 IonicContact NZ-OE1 3.28Å; K66-E138 PolarHBondContact NZ-OE1 3.19Å
67	V	97.5	Very high	93.9	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.006	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	132.6	169	-177.6	0	0	0	0	107.7	V56 V58 W72 M108 V111 L120 A139	V56-V67 HydrophobicContact CB-CG2 4.47Å; V56-V67 HydrophobicContact CG1-CG2 3.99Å; V58-V67 HydrophobicContact CB-CG2 4.3Å; V58-V67 HydrophobicContact CG1-CG2 4.01Å; V67-W72 HydrophobicContact CG1-CE3 4.15Å; V67-W72 HydrophobicContact CG1-CH2 4.29Å; V67-W72 HydrophobicContact CG1-CZ3 3.71Å; V67-M108 HydrophobicContact CG1-CB 4.29Å; V67-M108 HydrophobicContact CG2-CB 4.39Å; V67-V111 HydrophobicContact CG1-CG2 4.09Å; V67-L120 HydrophobicContact CG2-CD2 4.08Å; V67-A139 HydrophobicContact CB-CB 4.15Å; V67-A139 HydrophobicContact CG1-CB 4.11Å; V67-A139 WeakPolarHBondContact O-CB 3.04Å; V67-A139 PolarHBondContact O-N 3.4Å
68	C	96.8	Very high	93.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-77.4	149.1	177.7	-170.8	0	0	0	0	112.1	D70 Y106 M108 D109 C133 E137	C68-D70 VanDerWaalsContact C-N 3.35Å; C68-Y106 HydrophobicContact CB-CD1 3.87Å; C68-Y106 HydrophobicContact CB-CE1 4.13Å; C68-M108 PolarHBondContact N-O 2.81Å; C68-D109 HydrophobicContact CB-CB 4Å; C68-D109 WeakPolarHBondContact CB-OD1 3.39Å; C68-C133 HydrophobicContact CB-CB 3.83Å; C68-C133 WeakPolarHBondContact CB-SG 3.4Å; C68-C133 WeakPolarHBondContact SG-CB 3.37Å; C68-C133 CovalentContact SG-SG 1.98Å; C68-C133 PolarHBondContact SG-SG 2.81Å; C68-E137 CarbonylContact C-O 3.56Å; C68-E137 WeakPolarHBondContact CA-O 3.5Å
69	D	96.4	Very high	93.5	Very high	9 Å²	9	43.4 Å²	43.4	5%	0.048	21%	0.209	C	C	.	.			trans	-86.9	-0.5	-177.7	75.6	-27.6	0	0	0	114.8	H71 W72 R94 R95 E137 A139	D69-H71 PolarHBondContact O-N 3.18Å; D69-W72 HydrophobicContact CB-CB 4.26Å; D69-W72 WeakPolarHBondContact O-CB 3.39Å; D69-W72 PolarHBondContact O-N 2.82Å; D69-R94 HydrophobicContact CB-CB 4.05Å; D69-R94 HydrophobicContact CB-CG 4Å; D69-R94 WeakPolarHBondContact OD2-CA 3.33Å; D69-R94 WeakPolarHBondContact OD2-CB 3.41Å; D69-R95 PolarHBondContact OD2-N 3.2Å; D69-E137 PolarHBondContact N-O 2.83Å; D69-E137 WeakPolarHBondContact OD1-CB 3.01Å; D69-A139 HydrophobicContact CB-CB 4.32Å
70	D	95.1	Very high	93.5	Very high	49 Å²	49	41.4 Å²	41.4	26%	0.262	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	123.8	174.2	-81.5	-20.5	0	0	0	110.9	C68 W72	C68-D70 VanDerWaalsContact C-N 3.35Å; D70-W72 PolarHBondContact O-N 3.28Å
71	H	89.2	Confident	93.4	Very high	108 Å²	108	38.3 Å²	38.3	50%	0.5	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	14.8	-170.9	-59.6	91.8	0	0	0	115.4	D69 T73 E110 H112	D69-H71 PolarHBondContact O-N 3.18Å; H71-T73 WeakPolarHBondContact O-CG2 3.37Å; H71-T73 PolarHBondContact O-N 2.85Å; H71-T73 VanDerWaalsContact O-N 3.08Å; H71-E110 IonicContact CE1-OE1 2.89Å; H71-E110 PolarHBondContact CE1-OE1 3.24Å; H71-E110 IonicContact CE1-OE2 2.92Å; H71-E110 PolarHBondContact CE1-OE2 3.21Å; H71-E110 IonicContact CG-OE2 3.24Å; H71-E110 IonicContact ND1-OE1 2.73Å; H71-E110 PolarHBondContact ND1-OE1 3.35Å; H71-E110 IonicContact ND1-OE2 3.2Å; H71-E110 PolarHBondContact ND1-OE2 3.04Å; H71-H112 AromaticContact CD2-CE1 3.92Å; H71-H112 AromaticContact CG-CE1 3.58Å; H71-H112 AromaticContact CG-NE2 3.96Å
72	W	95.5	Very high	93.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.178	C	C	.	.			trans	-67	107.9	-179.3	-172	-116.5	0	0	0	111.4	V56 V67 D69 D70 E76 V80 V92 R94 V111 L120 A139 G140 V141	V56-W72 HydrophobicContact CG2-CZ2 4.17Å; V67-W72 HydrophobicContact CG1-CE3 4.15Å; V67-W72 HydrophobicContact CG1-CH2 4.29Å; V67-W72 HydrophobicContact CG1-CZ3 3.71Å; D69-W72 HydrophobicContact CB-CB 4.26Å; D69-W72 WeakPolarHBondContact O-CB 3.39Å; D69-W72 PolarHBondContact O-N 2.82Å; D70-W72 PolarHBondContact O-N 3.28Å; W72-E76 HydrophobicContact CD2-CB 3.94Å; W72-E76 HydrophobicContact CE3-CB 3.47Å; W72-E76 VanDerWaalsContact CE3-CB 3.47Å; W72-E76 HydrophobicContact CE3-CG 3.8Å; W72-E76 HydrophobicContact CH2-CB 3.61Å; W72-E76 HydrophobicContact CZ2-CB 4.07Å; W72-E76 HydrophobicContact CZ3-CB 3.31Å; W72-E76 HydrophobicContact CZ3-CG 3.87Å; W72-V80 HydrophobicContact CH2-CG2 3.7Å; W72-V80 HydrophobicContact CZ2-CG2 3.94Å; W72-V92 VanDerWaalsContact CD1-CG1 3.41Å; W72-V92 HydrophobicContact CG-CG1 4.3Å; W72-V92 WeakPolarHBondContact O-CG1 3.36Å; W72-R94 PolarHBondContact O-NE 3.18Å; W72-R94 PolarHBondContact O-NH2 3.08Å; W72-V111 HydrophobicContact CE3-CB 4.47Å; W72-V111 HydrophobicContact CZ3-CB 4.28Å; W72-V111 HydrophobicContact CZ3-CG1 4.43Å; W72-V111 HydrophobicContact CZ3-CG2 4.5Å; W72-L120 HydrophobicContact CH2-CD1 3.86Å; W72-L120 HydrophobicContact CH2-CD2 4.14Å; W72-L120 HydrophobicContact CZ3-CD1 3.98Å; W72-L120 HydrophobicContact CZ3-CD2 4.43Å; W72-A139 HydrophobicContact CD2-CB 3.66Å; W72-A139 HydrophobicContact CE3-CB 4.13Å; W72-A139 HydrophobicContact CG-CB 3.81Å; W72-A139 HydrophobicContact CZ2-CB 4.26Å; W72-G140 PolarHBondContact NE1-O 2.83Å; W72-G140 VanDerWaalsContact NE1-O 3.17Å; W72-V141 HydrophobicContact CZ2-CG1 3.87Å
73	T	91	Very high	93.7	Very high	51 Å²	51	33.6 Å²	33.6	31%	0.313	16%	0.161	S	C	.	.			trans	-117.6	-176.7	-176.3	78.9	0	0	0	0	112.9	H71 K75 E76 A77 V92	H71-T73 WeakPolarHBondContact O-CG2 3.37Å; H71-T73 PolarHBondContact O-N 2.85Å; H71-T73 VanDerWaalsContact O-N 3.08Å; T73-K75 PolarHBondContact O-N 2.89Å; T73-K75 PolarHBondContact OG1-N 3.03Å; T73-K75 VanDerWaalsContact OG1-N 3.16Å; T73-E76 VanDerWaalsContact CA-OE2 3.26Å; T73-E76 WeakPolarHBondContact CA-OE2 3.32Å; T73-E76 VanDerWaalsContact CB-OE2 3.31Å; T73-E76 WeakPolarHBondContact CB-OE2 3.16Å; T73-E76 PolarHBondContact N-OE2 3.03Å; T73-E76 PolarHBondContact O-N 3.37Å; T73-E76 PolarHBondContact OG1-OE2 2.79Å; T73-A77 PolarHBondContact O-N 2.98Å; T73-A77 VanDerWaalsContact O-N 3.14Å; T73-V92 VanDerWaalsContact C-CG2 3.45Å; T73-V92 WeakPolarHBondContact O-CG2 3.49Å
74	M	87.1	Confident	93.7	Very high	82 Å²	82	34.6 Å²	34.6	40%	0.404	16%	0.161	S	C	.	.	H	α-helix	trans	-59.7	-22.6	173.4	-73.3	-66.6	-66.6	0	0	112.3	N78 A89 V92	M74-N78 VanDerWaalsContact O-CB 3.29Å; M74-N78 WeakPolarHBondContact O-CB 3.36Å; M74-N78 VanDerWaalsContact O-CG 3.31Å; M74-N78 PolarHBondContact O-N 2.89Å; M74-N78 PolarHBondContact O-ND2 3.01Å; M74-A89 HydrophobicContact CE-CB 4.16Å; M74-A89 WeakPolarHBondContact CE-O 3.2Å; M74-V92 HydrophobicContact CB-CG2 4.32Å; M74-V92 HydrophobicContact CG-CG2 3.86Å; M74-V92 HydrophobicContact SD-CB 4.44Å; M74-V92 HydrophobicContact SD-CG2 3.42Å; M74-V92 WeakPolarHBondContact SD-CG2 3.17Å
75	K	89.5	Confident	93.2	Very high	112 Å²	112	33.7 Å²	33.7	49%	0.487	17%	0.172	S	C	.	.	H	α-helix	trans	-68.9	-49.4	179	-65.1	-179.3	-176	174.5	0	110.9	T73 N78 V79 C113	T73-K75 PolarHBondContact O-N 2.89Å; T73-K75 PolarHBondContact OG1-N 3.03Å; T73-K75 VanDerWaalsContact OG1-N 3.16Å; K75-N78 PolarHBondContact O-N 2.93Å; K75-V79 PolarHBondContact O-N 3.3Å; K75-C113 HydrophobicContact CB-CB 4.32Å; K75-C113 VanDerWaalsContact CD-O 3.29Å; K75-C113 WeakPolarHBondContact CD-O 3.38Å
76	E	96.4	Very high	92.7	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.019	18%	0.18	C	C	.	.	H	α-helix	trans	-66.7	-43.5	179.1	-62.3	58.9	-122.8	0	0	110.5	W72 T73 N78 V79 V80 V111 C113 L120	W72-E76 HydrophobicContact CD2-CB 3.94Å; W72-E76 HydrophobicContact CE3-CB 3.47Å; W72-E76 VanDerWaalsContact CE3-CB 3.47Å; W72-E76 HydrophobicContact CE3-CG 3.8Å; W72-E76 HydrophobicContact CH2-CB 3.61Å; W72-E76 HydrophobicContact CZ2-CB 4.07Å; W72-E76 HydrophobicContact CZ3-CB 3.31Å; W72-E76 HydrophobicContact CZ3-CG 3.87Å; T73-E76 VanDerWaalsContact CA-OE2 3.26Å; T73-E76 WeakPolarHBondContact CA-OE2 3.32Å; T73-E76 VanDerWaalsContact CB-OE2 3.31Å; T73-E76 WeakPolarHBondContact CB-OE2 3.16Å; T73-E76 PolarHBondContact N-OE2 3.03Å; T73-E76 PolarHBondContact O-N 3.37Å; T73-E76 PolarHBondContact OG1-OE2 2.79Å; E76-N78 VanDerWaalsContact C-N 3.28Å; E76-N78 PolarHBondContact O-N 3.32Å; E76-V79 WeakPolarHBondContact O-CB 2.89Å; E76-V79 PolarHBondContact O-N 3.01Å; E76-V79 VanDerWaalsContact O-N 3.09Å; E76-V80 PolarHBondContact O-N 2.87Å; E76-V111 HydrophobicContact CG-CB 4.13Å; E76-V111 HydrophobicContact CG-CG1 3.88Å; E76-V111 VanDerWaalsContact CG-O 3.32Å; E76-V111 WeakPolarHBondContact CG-O 3.41Å; E76-C113 HydrophobicContact CG-CB 4.18Å; E76-C113 WeakPolarHBondContact OE1-CA 3.45Å; E76-C113 VanDerWaalsContact OE1-CB 3.28Å; E76-C113 WeakPolarHBondContact OE1-CB 3.46Å; E76-C113 PolarHBondContact OE1-N 3.35Å; E76-L120 HydrophobicContact CB-CD1 4.47Å
77	A	93.9	Very high	92	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.1	-39.3	176	0	0	0	0	0	112.3	T73 V79 V80 C81 A89 V92 V141	T73-A77 PolarHBondContact O-N 2.98Å; T73-A77 VanDerWaalsContact O-N 3.14Å; A77-V79 VanDerWaalsContact C-N 3.34Å; A77-V79 PolarHBondContact O-N 2.87Å; A77-V80 WeakPolarHBondContact O-CB 3.11Å; A77-V80 PolarHBondContact O-N 2.84Å; A77-C81 PolarHBondContact O-N 2.91Å; A77-C81 PolarHBondContact O-SG 2.91Å; A77-C81 VanDerWaalsContact O-SG 3.36Å; A77-A89 VanDerWaalsContact C-CB 3.49Å; A77-A89 HydrophobicContact CB-CB 3.53Å; A77-V92 HydrophobicContact CB-CG2 3.7Å; A77-V141 HydrophobicContact CB-CB 4.33Å; A77-V141 HydrophobicContact CB-CG1 3.52Å
78	N	90.4	Very high	91.2	Very high	36 Å²	36	37.1 Å²	37.1	19%	0.193	20%	0.198	C	C	.	.	H	α-helix	trans	-63.8	-38.1	175.7	-89	-51	0	0	0	112.6	M74 K75 E76 R82 H88 A89	M74-N78 VanDerWaalsContact O-CB 3.29Å; M74-N78 WeakPolarHBondContact O-CB 3.36Å; M74-N78 VanDerWaalsContact O-CG 3.31Å; M74-N78 PolarHBondContact O-N 2.89Å; M74-N78 PolarHBondContact O-ND2 3.01Å; K75-N78 PolarHBondContact O-N 2.93Å; E76-N78 VanDerWaalsContact C-N 3.28Å; E76-N78 PolarHBondContact O-N 3.32Å; N78-R82 VanDerWaalsContact O-CB 3.3Å; N78-R82 WeakPolarHBondContact O-CB 3.44Å; N78-R82 PolarHBondContact O-N 3.17Å; N78-H88 WeakPolarHBondContact OD1-CB 3.45Å; N78-A89 PolarHBondContact OD1-N 3.16Å
79	V	94.7	Very high	90.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.5	-44.6	174.6	176.1	0	0	0	0	110.2	K75 E76 A77 R82 Q83 C113 E117 R119 L120	K75-V79 PolarHBondContact O-N 3.3Å; E76-V79 WeakPolarHBondContact O-CB 2.89Å; E76-V79 PolarHBondContact O-N 3.01Å; E76-V79 VanDerWaalsContact O-N 3.09Å; A77-V79 VanDerWaalsContact C-N 3.34Å; A77-V79 PolarHBondContact O-N 2.87Å; V79-R82 PolarHBondContact O-N 2.88Å; V79-Q83 VanDerWaalsContact O-CB 3.25Å; V79-Q83 WeakPolarHBondContact O-CB 3.33Å; V79-Q83 PolarHBondContact O-N 3.43Å; V79-C113 HydrophobicContact CG2-CB 4.15Å; V79-E117 HydrophobicContact CG1-CB 4.15Å; V79-E117 HydrophobicContact CG2-CB 3.95Å; V79-R119 VanDerWaalsContact CG1-C 3.48Å; V79-L120 HydrophobicContact CG1-CB 4.45Å
80	V	96.3	Very high	89.9	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-56.7	-53.8	175.7	165.9	0	0	0	0	111.5	I43 L45 V56 W72 E76 A77 R82 Q83 L84 L120 V141	I43-V80 HydrophobicContact CD1-CB 4.08Å; I43-V80 HydrophobicContact CD1-CG1 3.91Å; I43-V80 HydrophobicContact CD1-CG2 4.12Å; L45-V80 HydrophobicContact CD2-CG1 4.17Å; V56-V80 HydrophobicContact CG1-CG1 4.46Å; V56-V80 HydrophobicContact CG1-CG2 4.09Å; V56-V80 HydrophobicContact CG2-CG1 4.08Å; V56-V80 HydrophobicContact CG2-CG2 4.35Å; W72-V80 HydrophobicContact CH2-CG2 3.7Å; W72-V80 HydrophobicContact CZ2-CG2 3.94Å; E76-V80 PolarHBondContact O-N 2.87Å; A77-V80 WeakPolarHBondContact O-CB 3.11Å; A77-V80 PolarHBondContact O-N 2.84Å; V80-R82 VanDerWaalsContact C-N 3.32Å; V80-R82 PolarHBondContact O-N 2.96Å; V80-Q83 PolarHBondContact O-N 3.29Å; V80-L84 HydrophobicContact CG1-CD1 3.93Å; V80-L84 WeakPolarHBondContact O-CG 3.43Å; V80-L84 PolarHBondContact O-N 3.43Å; V80-L120 HydrophobicContact CG2-CD1 4.07Å; V80-L120 HydrophobicContact CG2-CD2 4.03Å; V80-V141 HydrophobicContact CB-CG1 4.35Å; V80-V141 HydrophobicContact CG1-CG1 4.17Å; V80-V141 HydrophobicContact CG1-CG2 3.72Å
81	C	92.9	Very high	89.4	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-64.1	-37.9	-176.8	-64.7	0	0	0	0	112.5	A77 L84 G85 M86 G87 C143	A77-C81 PolarHBondContact O-N 2.91Å; A77-C81 PolarHBondContact O-SG 2.91Å; A77-C81 VanDerWaalsContact O-SG 3.36Å; C81-L84 PolarHBondContact O-N 3.09Å; C81-G85 PolarHBondContact O-N 3.05Å; C81-M86 CarbonylContact O-C 3.56Å; C81-M86 PolarHBondContact O-N 2.98Å; C81-G87 CarbonylContact C-O 3.5Å; C81-C143 WeakPolarHBondContact CA-SG 3.01Å; C81-C143 HydrophobicContact CB-CB 3.67Å; C81-C143 WeakPolarHBondContact CB-SG 3.32Å; C81-C143 WeakPolarHBondContact SG-CA 3.47Å; C81-C143 WeakPolarHBondContact SG-CB 3.47Å; C81-C143 CovalentContact SG-SG 2.04Å; C81-C143 PolarHBondContact SG-SG 3.17Å
82	R	89.6	Confident	89.4	Confident	106 Å²	106	35.2 Å²	35.2	40%	0.4	19%	0.191	S	C	.	.	H	α-helix	trans	-67.5	-43.1	175.4	-178.6	170.2	58.2	-124.9	-4.2	111.9	N78 V79 V80 L84 G85 G87 G115 S116 E117	N78-R82 VanDerWaalsContact O-CB 3.3Å; N78-R82 WeakPolarHBondContact O-CB 3.44Å; N78-R82 PolarHBondContact O-N 3.17Å; V79-R82 PolarHBondContact O-N 2.88Å; V80-R82 VanDerWaalsContact C-N 3.32Å; V80-R82 PolarHBondContact O-N 2.96Å; R82-L84 VanDerWaalsContact C-N 3.29Å; R82-L84 PolarHBondContact O-N 2.04Å; R82-G85 PolarHBondContact O-N 2.93Å; R82-G87 WeakPolarHBondContact CA-O 3.35Å; R82-G87 PolarHBondContact N-O 3.17Å; R82-G115 PolarHBondContact NH1-O 3.05Å; R82-G115 VanDerWaalsContact NH1-O 3.11Å; R82-G115 PolarHBondContact NH2-O 2.92Å; R82-S116 PolarHBondContact NH2-O 3.23Å; R82-E117 PolarHBondContact NE-O 3.31Å; R82-E117 PolarHBondContact NH2-O 2.78Å
83	Q	94.6	Very high	89.2	Confident	42 Å²	42	36.4 Å²	36.4	20%	0.196	20%	0.196	C	C	.	.	H	α-helix	trans	-63.3	-35.6	178.5	178.9	177.8	-4.8	0	0	111.8	G41 I43 V79 V80 G85 R119	G41-Q83 PolarHBondContact O-NE2 3.2Å; I43-Q83 HydrophobicContact CD1-CB 3.81Å; I43-Q83 HydrophobicContact CD1-CG 3.82Å; I43-Q83 HydrophobicContact CG1-CB 4.45Å; I43-Q83 HydrophobicContact CG1-CG 3.95Å; V79-Q83 VanDerWaalsContact O-CB 3.25Å; V79-Q83 WeakPolarHBondContact O-CB 3.33Å; V79-Q83 PolarHBondContact O-N 3.43Å; V80-Q83 PolarHBondContact O-N 3.29Å; Q83-G85 PolarHBondContact O-N 3.07Å; Q83-R119 VanDerWaalsContact OE1-CA 3.3Å
84	L	92.8	Very high	89.3	Confident	44 Å²	44	39.9 Å²	39.9	23%	0.23	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-4.7	174.8	-71.1	170.1	0	0	0	114.1	I43 L45 V80 C81 R82 M86	I43-L84 HydrophobicContact CD1-CD1 4.37Å; I43-L84 HydrophobicContact CD1-CD2 4.38Å; I43-L84 HydrophobicContact CD1-CG 3.91Å; I43-L84 HydrophobicContact CG1-CD2 3.84Å; I43-L84 HydrophobicContact CG1-CG 3.93Å; I43-L84 VanDerWaalsContact O-CD2 3.32Å; I43-L84 WeakPolarHBondContact O-CD2 3.49Å; L45-L84 HydrophobicContact CD1-CD1 3.97Å; L45-L84 HydrophobicContact CD2-CD1 3.97Å; L45-L84 HydrophobicContact CG-CD1 3.62Å; V80-L84 HydrophobicContact CG1-CD1 3.93Å; V80-L84 WeakPolarHBondContact O-CG 3.43Å; V80-L84 PolarHBondContact O-N 3.43Å; C81-L84 PolarHBondContact O-N 3.09Å; R82-L84 VanDerWaalsContact C-N 3.29Å; R82-L84 PolarHBondContact O-N 2.04Å; L84-M86 HydrophobicContact CB-CB 4.39Å; L84-M86 HydrophobicContact CB-CE 4.19Å; L84-M86 HydrophobicContact CB-CG 3.88Å; L84-M86 HydrophobicContact CB-SD 3.91Å; L84-M86 HydrophobicContact CD1-CE 4.41Å; L84-M86 HydrophobicContact CD1-SD 4.02Å; L84-M86 PolarHBondContact O-N 3.41Å
85	G	86.1	Confident	89.4	Confident	45 Å²	45	45.6 Å²	45.6	46%	0.464	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	18.4	-174.2	0	0	0	0	0	113.9	C81 R82 Q83	C81-G85 PolarHBondContact O-N 3.05Å; R82-G85 PolarHBondContact O-N 2.93Å; Q83-G85 PolarHBondContact O-N 3.07Å
86	M	85.6	Confident	89.5	Confident	37 Å²	37	40.9 Å²	40.9	18%	0.182	20%	0.201	C	C	.	.	S	Bend	trans	-100.6	32.2	-178.4	-59.6	175.9	-178.3	0	0	111.7	L45 E51 Q52 C81 L84 H88 C143 A144	L45-M86 HydrophobicContact CD1-SD 4.22Å; E51-M86 VanDerWaalsContact O-CE 3.27Å; E51-M86 WeakPolarHBondContact O-CE 3.35Å; Q52-M86 HydrophobicContact CG-SD 4.29Å; C81-M86 CarbonylContact O-C 3.56Å; C81-M86 PolarHBondContact O-N 2.98Å; L84-M86 HydrophobicContact CB-CB 4.39Å; L84-M86 HydrophobicContact CB-CE 4.19Å; L84-M86 HydrophobicContact CB-CG 3.88Å; L84-M86 HydrophobicContact CB-SD 3.91Å; L84-M86 HydrophobicContact CD1-CE 4.41Å; L84-M86 HydrophobicContact CD1-SD 4.02Å; L84-M86 PolarHBondContact O-N 3.41Å; M86-H88 PolarHBondContact O-N 2.77Å; M86-C143 HydrophobicContact CB-CB 3.67Å; M86-C143 HydrophobicContact SD-CB 4.4Å; M86-A144 CarbonylContact C-O 3.46Å
87	G	80.8	Confident	89.1	Confident	36 Å²	36	49.6 Å²	49.6	37%	0.371	23%	0.234	S	C	.	.			trans	70	-123.6	177.5	0	0	0	0	0	113.6	C81 R82	C81-G87 CarbonylContact C-O 3.5Å; R82-G87 WeakPolarHBondContact CA-O 3.35Å; R82-G87 PolarHBondContact N-O 3.17Å
88	H	81.5	Confident	88.7	Confident	18 Å²	18	51.8 Å²	51.8	8%	0.083	24%	0.243	C	C	.	.	S	Bend	trans	-121.7	165.3	-173.5	77.7	-80.7	0	0	0	111.2	N78 M86 C143 A144 T454 D455 I456 A457	N78-H88 WeakPolarHBondContact OD1-CB 3.45Å; M86-H88 PolarHBondContact O-N 2.77Å; H88-C143 WeakPolarHBondContact O-CA 3.01Å; H88-A144 WeakPolarHBondContact O-CB 3.42Å; H88-A144 PolarHBondContact O-N 2.77Å; H88-T454 PolarHBondContact CE1-O 2.95Å; H88-T454 VanDerWaalsContact CE1-O 3.23Å; H88-T454 PolarHBondContact NE2-O 2.82Å; H88-D455 VanDerWaalsContact CE1-C 3.41Å; H88-I456 PolarHBondContact CE1-N 2.59Å; H88-I456 PolarHBondContact CE1-O 3.42Å; H88-I456 PolarHBondContact NE2-O 3.02Å; H88-A457 HydrophobicContact CB-CB 3.71Å; H88-A457 PolarHBondContact CE1-N 2.77Å; H88-A457 PolarHBondContact ND1-N 2.97Å
89	A	86	Confident	88.5	Confident	2 Å²	2	52.7 Å²	52.7	2%	0.017	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	134.6	179.6	0	0	0	0	0	111.9	M74 A77 N78	M74-A89 HydrophobicContact CE-CB 4.16Å; M74-A89 WeakPolarHBondContact CE-O 3.2Å; A77-A89 VanDerWaalsContact C-CB 3.49Å; A77-A89 HydrophobicContact CB-CB 3.53Å; N78-A89 PolarHBondContact OD1-N 3.16Å
90	L	79.9	Confident	88	Confident	26 Å²	26	53.1 Å²	53.1	14%	0.136	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-42.3	173.9	-58.2	-178.3	0	0	0	111.8	K142 A144 T454	L90-K142 HydrophobicContact CB-CG 4.34Å; L90-K142 HydrophobicContact CD1-CG 4.36Å; L90-K142 PolarHBondContact N-O 2.98Å; L90-A144 HydrophobicContact CD2-CB 4.09Å; L90-A144 HydrophobicContact CG-CB 4.25Å; L90-T454 HydrophobicContact CD1-CG2 3.99Å; L90-T454 HydrophobicContact CD2-CG2 3.95Å; L90-T454 WeakPolarHBondContact CD2-O 3.37Å
91	E	84.5	Confident	87.2	Confident	63 Å²	63	58.3 Å²	58.3	29%	0.294	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	148.9	-176.9	-56.3	173.9	-142.5	0	0	110.6	H93 K142	E91-H93 IonicContact OE2-CE1 2.7Å; E91-H93 PolarHBondContact OE2-CE1 3.35Å; E91-H93 VanDerWaalsContact OE2-CE1 3.24Å; E91-H93 IonicContact OE2-NE2 3.41Å; E91-K142 HydrophobicContact CB-CB 3.95Å; E91-K142 HydrophobicContact CG-CB 4.44Å; E91-K142 HydrophobicContact CG-CD 4.19Å; E91-K142 PolarHBondContact N-O 2.98Å; E91-K142 PolarHBondContact O-N 2.78Å; E91-K142 VanDerWaalsContact OE1-CD 3.31Å; E91-K142 WeakPolarHBondContact OE1-CD 3.4Å; E91-K142 IonicContact OE1-NZ 3.61Å; E91-K142 PolarHBondContact OE1-NZ 2.85Å
92	V	88.8	Confident	86.6	Confident	35 Å²	35	60.1 Å²	60.1	21%	0.212	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	126.9	173	171.7	0	0	0	0	107.5	W72 T73 M74 A77 R94	W72-V92 VanDerWaalsContact CD1-CG1 3.41Å; W72-V92 HydrophobicContact CG-CG1 4.3Å; W72-V92 WeakPolarHBondContact O-CG1 3.36Å; T73-V92 VanDerWaalsContact C-CG2 3.45Å; T73-V92 WeakPolarHBondContact O-CG2 3.49Å; M74-V92 HydrophobicContact CB-CG2 4.32Å; M74-V92 HydrophobicContact CG-CG2 3.86Å; M74-V92 HydrophobicContact SD-CB 4.44Å; M74-V92 HydrophobicContact SD-CG2 3.42Å; M74-V92 WeakPolarHBondContact SD-CG2 3.17Å; A77-V92 HydrophobicContact CB-CG2 3.7Å; V92-R94 HydrophobicContact CG1-CG 4.26Å
93	H	90.5	Very high	86.3	Confident	25 Å²	25	64.3 Å²	64.3	12%	0.116	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	139.7	176.4	-60.8	-59.9	0	0	0	110.3	E91 R97 F98 G140	E91-H93 IonicContact OE2-CE1 2.7Å; E91-H93 PolarHBondContact OE2-CE1 3.35Å; E91-H93 VanDerWaalsContact OE2-CE1 3.24Å; E91-H93 IonicContact OE2-NE2 3.41Å; H93-R97 HydrophobicContact CB-CB 3.9Å; H93-R97 HydrophobicContact CB-CG 4.35Å; H93-F98 HydrophobicContact CB-CE2 3.99Å; H93-F98 HydrophobicContact CB-CZ 4.39Å; H93-F98 AromaticContact CD2-CE2 3.69Å; H93-F98 AromaticContact CD2-CZ 3.33Å; H93-F98 WeakPolarHBondContact CD2-CZ 3.32Å; H93-F98 AromaticContact CG-CZ 3.9Å; H93-F98 AromaticContact NE2-CZ 3.83Å; H93-G140 PolarHBondContact N-O 3.06Å; H93-G140 PolarHBondContact O-N 2.88Å
94	R	92.5	Very high	86	Confident	124 Å²	124	63.5 Å²	63.5	47%	0.468	34%	0.337	S	S	.	.			trans	-132.2	166.4	-175.6	-67.1	-158.6	-166.2	124.3	-4.8	108.4	D69 W72 V92 N96 R97	D69-R94 HydrophobicContact CB-CB 4.05Å; D69-R94 HydrophobicContact CB-CG 4Å; D69-R94 WeakPolarHBondContact OD2-CA 3.33Å; D69-R94 WeakPolarHBondContact OD2-CB 3.41Å; W72-R94 PolarHBondContact O-NE 3.18Å; W72-R94 PolarHBondContact O-NH2 3.08Å; V92-R94 HydrophobicContact CG1-CG 4.26Å; R94-N96 PolarHBondContact O-N 2.74Å; R94-R97 PolarHBondContact O-N 2.75Å
95	R	90.5	Very high	85.9	Confident	202 Å²	202	67.3 Å²	67.3	76%	0.762	36%	0.358	S	S	*	.	S	Bend	trans	56.7	45.3	172.6	-56.6	180	-179.6	171.7	-1	114	D69 R97 N136	D69-R95 PolarHBondContact OD2-N 3.2Å; R95-R97 VanDerWaalsContact C-N 3.34Å; R95-R97 PolarHBondContact O-N 2.94Å; R95-N136 CarbonylContact C-O 3.56Å; R95-N136 WeakPolarHBondContact CA-O 3.21Å
96	N	91	Very high	86.4	Confident	14 Å²	14	65.6 Å²	65.6	8%	0.075	34%	0.338	C	S	.	.	S	Bend	trans	53.6	45.6	177.7	-157.7	8.8	0	0	0	114.4	R94 F98 G99 S100 N136 E138	R94-N96 PolarHBondContact O-N 2.74Å; N96-F98 PolarHBondContact O-N 2.73Å; N96-G99 PolarHBondContact O-N 2.83Å; N96-S100 PolarHBondContact ND2-N 3.25Å; N96-S100 PolarHBondContact ND2-O 3.26Å; N96-S100 VanDerWaalsContact ND2-O 3.15Å; N96-S100 WeakPolarHBondContact OD1-CA 3.39Å; N96-S100 WeakPolarHBondContact OD1-CB 3.37Å; N96-S100 PolarHBondContact OD1-N 3.32Å; N96-N136 HydrophobicContact CB-CB 3.82Å; N96-N136 PolarHBondContact N-O 2.8Å; N96-N136 PolarHBondContact ND2-OD1 2.54Å; N96-E138 HydrophobicContact CB-CB 4.4Å; N96-E138 WeakPolarHBondContact CB-OE2 3.46Å; N96-E138 PolarHBondContact N-O 2.79Å; N96-E138 PolarHBondContact ND2-OE2 3.18Å
97	R	88.1	Confident	86.9	Confident	187 Å²	187	64.2 Å²	64.2	71%	0.706	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	-31.7	-174	-177.1	60.3	178.2	-159.9	2	114.1	H93 R94 R95	H93-R97 HydrophobicContact CB-CB 3.9Å; H93-R97 HydrophobicContact CB-CG 4.35Å; R94-R97 PolarHBondContact O-N 2.75Å; R95-R97 VanDerWaalsContact C-N 3.34Å; R95-R97 PolarHBondContact O-N 2.94Å
98	F	86.4	Confident	87.7	Confident	46 Å²	46	62.5 Å²	62.5	20%	0.202	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	0.5	-177.4	-57	-68.7	0	0	0	113.7	D47 T53 G54 H93 N96	D47-F98 HydrophobicContact CB-CB 3.88Å; T53-F98 HydrophobicContact CG2-CE1 3.64Å; T53-F98 HydrophobicContact CG2-CZ 3.5Å; T53-F98 VanDerWaalsContact CG2-CZ 3.5Å; G54-F98 VanDerWaalsContact C-CD2 3.43Å; G54-F98 VanDerWaalsContact CA-CE2 3.5Å; G54-F98 WeakPolarHBondContact O-CE2 3.19Å; H93-F98 HydrophobicContact CB-CE2 3.99Å; H93-F98 HydrophobicContact CB-CZ 4.39Å; H93-F98 AromaticContact CD2-CE2 3.69Å; H93-F98 AromaticContact CD2-CZ 3.33Å; H93-F98 WeakPolarHBondContact CD2-CZ 3.32Å; H93-F98 AromaticContact CG-CZ 3.9Å; H93-F98 AromaticContact NE2-CZ 3.83Å; N96-F98 PolarHBondContact O-N 2.73Å
99	G	85.4	Confident	88.5	Confident	54 Å²	54	61.7 Å²	61.7	56%	0.557	31%	0.309	S	S	*	.			trans	64.6	41.7	-179.7	0	0	0	0	0	112.6	N96 S101	N96-G99 PolarHBondContact O-N 2.83Å; G99-S101 PolarHBondContact O-N 2.91Å
100	S	84.1	Confident	89	Confident	9 Å²	9	63.3 Å²	63.3	6%	0.063	32%	0.317	C	S	.	.			trans	-54.7	122.6	176.3	-163.4	0	0	0	0	110.3	D47 N96 S102	D47-S100 WeakPolarHBondContact OD2-CA 3.34Å; D47-S100 WeakPolarHBondContact OD2-CB 3.09Å; D47-S100 PolarHBondContact OD2-OG 3.46Å; N96-S100 PolarHBondContact ND2-N 3.25Å; N96-S100 PolarHBondContact ND2-O 3.26Å; N96-S100 VanDerWaalsContact ND2-O 3.15Å; N96-S100 WeakPolarHBondContact OD1-CA 3.39Å; N96-S100 WeakPolarHBondContact OD1-CB 3.37Å; N96-S100 PolarHBondContact OD1-N 3.32Å; S100-S102 VanDerWaalsContact C-N 3.28Å; S100-S102 WeakPolarHBondContact OG-CB 3.3Å; S100-S102 PolarHBondContact OG-N 2.97Å
101	S	79.4	Confident	89.8	Confident	109 Å²	109	62.1 Å²	62.1	76%	0.762	31%	0.31	S	S	*	.			trans	-94.4	15.2	171.6	66.5	0	0	0	0	112	G99 Q103	G99-S101 PolarHBondContact O-N 2.91Å; S101-Q103 PolarHBondContact O-N 3.12Å
102	S	79.7	Confident	90.4	Very high	38 Å²	38	62.4 Å²	62.4	27%	0.266	31%	0.312	S	S	.	.			trans	-63.4	119.8	-177.8	-178.2	0	0	0	0	110.9	S100 A104	S100-S102 VanDerWaalsContact C-N 3.28Å; S100-S102 WeakPolarHBondContact OG-CB 3.3Å; S100-S102 PolarHBondContact OG-N 2.97Å; S102-A104 PolarHBondContact O-N 3.29Å; S102-A104 WeakPolarHBondContact OG-CB 3.22Å; S102-A104 PolarHBondContact OG-N 3.08Å
103	Q	83.7	Confident	90.6	Very high	194 Å²	194	61.2 Å²	61.2	91%	0.907	31%	0.305	S	S	*	.			trans	-78.3	4.8	172.8	-65.5	-171.2	-14.6	0	0	113	S101	S101-Q103 PolarHBondContact O-N 3.12Å
104	A	87.9	Confident	90.5	Very high	26 Å²	26	64.5 Å²	64.5	22%	0.215	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-67	146.3	178.6	0	0	0	0	0	111.1	W64 K66 S102	W64-A104 WeakPolarHBondContact O-CB 3.33Å; K66-A104 WeakPolarHBondContact CD-O 3.49Å; K66-A104 WeakPolarHBondContact CE-O 3.45Å; K66-A104 HydrophobicContact CG-CB 4.31Å; S102-A104 PolarHBondContact O-N 3.29Å; S102-A104 WeakPolarHBondContact OG-CB 3.22Å; S102-A104 PolarHBondContact OG-N 3.08Å
105	N	92.6	Very high	90	Very high	124 Å²	124	59.3 Å²	59.3	66%	0.663	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-70.2	156.7	174.2	-71	-21	0	0	0	110.9	G65 K66	G65-N105 CarbonylContact C-O 3.04Å; G65-N105 WeakPolarHBondContact CA-O 3.42Å; K66-N105 PolarHBondContact N-O 3.02Å
106	Y	95.3	Very high	89.7	Confident	9 Å²	9	54.1 Å²	54.1	4%	0.035	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	133.2	166.9	-68	-88.9	0	0	0	109.3	K66 C68 H131 C133 R134 E137 E138	K66-Y106 HydrophobicContact CB-CD1 3.63Å; K66-Y106 HydrophobicContact CB-CE1 3.84Å; K66-Y106 HydrophobicContact CB-CG 4.15Å; K66-Y106 CarbonylContact O-C 3.52Å; K66-Y106 WeakPolarHBondContact O-CA 3.21Å; C68-Y106 HydrophobicContact CB-CD1 3.87Å; C68-Y106 HydrophobicContact CB-CE1 4.13Å; Y106-H131 AromaticContact CD2-CE1 3.7Å; Y106-H131 AromaticContact CD2-ND1 3.89Å; Y106-H131 PolarHBondContact O-CD2 2.83Å; Y106-C133 HydrophobicContact CD1-CB 4.38Å; Y106-C133 HydrophobicContact CD2-CB 4.14Å; Y106-C133 HydrophobicContact CE1-CB 4.34Å; Y106-C133 HydrophobicContact CE2-CB 4.09Å; Y106-C133 HydrophobicContact CG-CB 4.3Å; Y106-R134 VanDerWaalsContact CE2-O 3.32Å; Y106-R134 WeakPolarHBondContact CE2-O 3.36Å; Y106-R134 PolarHBondContact OH-O 3.22Å; Y106-E137 VanDerWaalsContact OH-C 3.24Å; Y106-E137 WeakPolarHBondContact OH-CA 3.37Å; Y106-E137 PolarHBondContact OH-N 3.15Å; Y106-E138 HydrophobicContact CE1-CG 4.45Å; Y106-E138 VanDerWaalsContact OH-CD 3.3Å; Y106-E138 PolarHBondContact OH-N 3.14Å; Y106-E138 PolarHBondContact OH-OE1 2.94Å; Y106-E138 PolarHBondContact OH-OE2 3.49Å
107	L	96.7	Very high	89.8	Confident	8 Å²	8	54.7 Å²	54.7	4%	0.042	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	-25.1	-179.7	-63.8	-176.4	0	0	0	112.4	V58 R60 Y62 K66 W128 G129	V58-L107 HydrophobicContact CG1-CB 3.83Å; V58-L107 HydrophobicContact CG1-CD1 4.11Å; V58-L107 WeakPolarHBondContact O-CD1 3.46Å; R60-L107 HydrophobicContact CB-CD1 4.32Å; Y62-L107 HydrophobicContact CE2-CD2 3.61Å; K66-L107 PolarHBondContact O-N 3.41Å; L107-W128 HydrophobicContact CB-CE3 4.04Å; L107-W128 HydrophobicContact CB-CZ3 4.2Å; L107-W128 WeakPolarHBondContact O-CA 3.31Å; L107-G129 PolarHBondContact O-N 3Å
108	M	97.6	Very high	89.9	Confident	0 Å²	0	54 Å²	54	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	139.7	179.7	-64.4	-178	72.3	0	0	109.5	V58 V67 C68 V111 L120 T121 F125 W128	V58-M108 HydrophobicContact CB-SD 4.31Å; V58-M108 HydrophobicContact CG1-CG 4.08Å; V58-M108 HydrophobicContact CG1-SD 4.02Å; V58-M108 HydrophobicContact CG2-SD 4.01Å; V67-M108 HydrophobicContact CG1-CB 4.29Å; V67-M108 HydrophobicContact CG2-CB 4.39Å; C68-M108 PolarHBondContact N-O 2.81Å; M108-V111 HydrophobicContact CB-CG2 3.99Å; M108-V111 HydrophobicContact CE-CG1 4.45Å; M108-V111 HydrophobicContact CE-CG2 4.09Å; M108-L120 HydrophobicContact CE-CG 4.07Å; M108-L120 HydrophobicContact SD-CD2 4.2Å; M108-L120 HydrophobicContact SD-CG 4.32Å; M108-T121 HydrophobicContact SD-CG2 4.35Å; M108-F125 HydrophobicContact CB-CD2 4.26Å; M108-F125 HydrophobicContact CE-CB 4.31Å; M108-F125 HydrophobicContact CE-CD1 3.72Å; M108-F125 HydrophobicContact CE-CD2 4.12Å; M108-F125 HydrophobicContact CE-CE1 3.97Å; M108-F125 HydrophobicContact CE-CE2 4.32Å; M108-F125 HydrophobicContact CE-CG 3.81Å; M108-F125 HydrophobicContact CE-CZ 4.27Å; M108-F125 HydrophobicContact CG-CD2 4.01Å; M108-F125 HydrophobicContact CG-CE2 3.98Å; M108-W128 HydrophobicContact CG-CE3 4.02Å; M108-W128 HydrophobicContact CG-CH2 4.46Å; M108-W128 HydrophobicContact CG-CZ3 3.75Å; M108-W128 HydrophobicContact SD-CH2 4.22Å; M108-W128 HydrophobicContact SD-CZ3 4.04Å
109	D	97.5	Very high	90.4	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.316	C	S	.	.			trans	-152.9	154.3	-178.6	-174.9	18.6	0	0	0	109.1	C68 V111 F125 N126 H131 D132 C133	C68-D109 HydrophobicContact CB-CB 4Å; C68-D109 WeakPolarHBondContact CB-OD1 3.39Å; D109-V111 VanDerWaalsContact C-N 3.3Å; D109-V111 PolarHBondContact O-N 3.2Å; D109-F125 WeakPolarHBondContact O-CB 3.5Å; D109-N126 PolarHBondContact O-N 2.79Å; D109-H131 HydrophobicContact CB-CB 3.46Å; D109-H131 VanDerWaalsContact CB-CB 3.46Å; D109-H131 WeakPolarHBondContact OD2-CA 3.22Å; D109-H131 VanDerWaalsContact OD2-CB 3.32Å; D109-H131 WeakPolarHBondContact OD2-CB 3.41Å; D109-D132 PolarHBondContact OD2-N 2.94Å; D109-C133 PolarHBondContact OD1-SG 3.15Å; D109-C133 PolarHBondContact OD2-SG 3.18Å; D109-C133 VanDerWaalsContact OD2-SG 3.4Å
110	E	96.2	Very high	91	Very high	36 Å²	36	53.2 Å²	53.2	17%	0.168	29%	0.29	C	S	.	.	S	Bend	trans	52.5	50	-173.2	-73.5	-67.5	156.8	0	0	111	H71 H112 F125 N126	H71-E110 IonicContact CE1-OE1 2.89Å; H71-E110 PolarHBondContact CE1-OE1 3.24Å; H71-E110 IonicContact CE1-OE2 2.92Å; H71-E110 PolarHBondContact CE1-OE2 3.21Å; H71-E110 IonicContact CG-OE2 3.24Å; H71-E110 IonicContact ND1-OE1 2.73Å; H71-E110 PolarHBondContact ND1-OE1 3.35Å; H71-E110 IonicContact ND1-OE2 3.2Å; H71-E110 PolarHBondContact ND1-OE2 3.04Å; E110-H112 PolarHBondContact O-CD2 3.36Å; E110-H112 PolarHBondContact O-N 2.04Å; E110-H112 IonicContact OE2-CD2 3.22Å; E110-H112 IonicContact OE2-CE1 2.88Å; E110-H112 IonicContact OE2-NE2 3.95Å; E110-H112 PolarHBondContact OE2-NE2 3.49Å; E110-F125 WeakPolarHBondContact O-CA 3.49Å; E110-N126 WeakPolarHBondContact CG-ND2 3.38Å
111	V	97.4	Very high	91.6	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.006	30%	0.296	C	S	.	.			trans	-77.2	114	-179.1	-171.2	0	0	0	0	109	V67 W72 E76 M108 D109 L120 C123 R124 F125	V67-V111 HydrophobicContact CG1-CG2 4.09Å; W72-V111 HydrophobicContact CE3-CB 4.47Å; W72-V111 HydrophobicContact CZ3-CB 4.28Å; W72-V111 HydrophobicContact CZ3-CG1 4.43Å; W72-V111 HydrophobicContact CZ3-CG2 4.5Å; E76-V111 HydrophobicContact CG-CB 4.13Å; E76-V111 HydrophobicContact CG-CG1 3.88Å; E76-V111 VanDerWaalsContact CG-O 3.32Å; E76-V111 WeakPolarHBondContact CG-O 3.41Å; M108-V111 HydrophobicContact CB-CG2 3.99Å; M108-V111 HydrophobicContact CE-CG1 4.45Å; M108-V111 HydrophobicContact CE-CG2 4.09Å; D109-V111 VanDerWaalsContact C-N 3.3Å; D109-V111 PolarHBondContact O-N 3.2Å; V111-L120 HydrophobicContact CG1-CD1 3.91Å; V111-L120 HydrophobicContact CG1-CG 4.46Å; V111-C123 HydrophobicContact CG1-CB 3.84Å; V111-R124 CarbonylContact C-O 3.57Å; V111-R124 WeakPolarHBondContact CA-O 3.42Å; V111-F125 HydrophobicContact CG2-CB 4.2Å
112	H	96.3	Very high	92.4	Very high	70 Å²	70	53.6 Å²	53.6	32%	0.324	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-116.8	101.8	179.2	-69.6	-80.6	0	0	0	109.9	H71 E110 R124	H71-H112 AromaticContact CD2-CE1 3.92Å; H71-H112 AromaticContact CG-CE1 3.58Å; H71-H112 AromaticContact CG-NE2 3.96Å; E110-H112 PolarHBondContact O-CD2 3.36Å; E110-H112 PolarHBondContact O-N 2.04Å; E110-H112 IonicContact OE2-CD2 3.22Å; E110-H112 IonicContact OE2-CE1 2.88Å; E110-H112 IonicContact OE2-NE2 3.95Å; E110-H112 PolarHBondContact OE2-NE2 3.49Å; H112-R124 HydrophobicContact CB-CB 4.44Å; H112-R124 PolarHBondContact N-O 2.79Å; H112-R124 PolarHBondContact O-N 2.02Å; H112-R124 VanDerWaalsContact O-N 3.12Å
113	C	94.8	Very high	93.2	Very high	10 Å²	10	52 Å²	52	7%	0.068	27%	0.273	C	S	.	.			trans	-98.6	151.6	174.1	-58.3	0	0	0	0	111.1	K75 E76 V79 G115 E117 C123	K75-C113 HydrophobicContact CB-CB 4.32Å; K75-C113 VanDerWaalsContact CD-O 3.29Å; K75-C113 WeakPolarHBondContact CD-O 3.38Å; E76-C113 HydrophobicContact CG-CB 4.18Å; E76-C113 WeakPolarHBondContact OE1-CA 3.45Å; E76-C113 VanDerWaalsContact OE1-CB 3.28Å; E76-C113 WeakPolarHBondContact OE1-CB 3.46Å; E76-C113 PolarHBondContact OE1-N 3.35Å; V79-C113 HydrophobicContact CG2-CB 4.15Å; C113-G115 VanDerWaalsContact C-N 3.29Å; C113-E117 WeakPolarHBondContact CB-OE2 2.96Å; C113-C123 HydrophobicContact CB-CB 3.98Å; C113-C123 WeakPolarHBondContact CB-SG 3.41Å; C113-C123 WeakPolarHBondContact SG-CB 2.93Å; C113-C123 CovalentContact SG-SG 2.02Å; C113-C123 PolarHBondContact SG-SG 3.23Å
114	T	87.6	Confident	93.8	Very high	93 Å²	93	50.9 Å²	50.9	57%	0.571	26%	0.26	S	S	*	.			trans	-75.4	-24.1	161	65.1	0	0	0	0	111.3	S116 E117	T114-S116 PolarHBondContact OG1-N 2.9Å; T114-S116 PolarHBondContact OG1-OG 3.33Å; T114-E117 WeakPolarHBondContact CB-OE1 3.46Å; T114-E117 WeakPolarHBondContact CG2-OE1 3.31Å; T114-E117 PolarHBondContact N-OE1 3.27Å; T114-E117 PolarHBondContact N-OE2 3.31Å; T114-E117 PolarHBondContact OG1-OE1 2.82Å; T114-E117 PolarHBondContact OG1-OE2 3.36Å
115	G	81.3	Confident	94.3	Very high	16 Å²	16	51.5 Å²	51.5	17%	0.165	26%	0.258	C	S	.	.	S	Bend	trans	99.3	-5.1	-175.1	0	0	0	0	0	113.2	R82 C113 E117	R82-G115 PolarHBondContact NH1-O 3.05Å; R82-G115 VanDerWaalsContact NH1-O 3.11Å; R82-G115 PolarHBondContact NH2-O 2.92Å; C113-G115 VanDerWaalsContact C-N 3.29Å; G115-E117 WeakPolarHBondContact CA-OE2 3.42Å; G115-E117 PolarHBondContact N-OE2 2.8Å
116	S	84.5	Confident	94.4	Very high	92 Å²	92	49.2 Å²	49.2	64%	0.643	25%	0.246	S	C	*	.			trans	-103	-5.9	-176.4	68.2	0	0	0	0	114	R82 T114	R82-S116 PolarHBondContact NH2-O 3.23Å; T114-S116 PolarHBondContact OG1-N 2.9Å; T114-S116 PolarHBondContact OG1-OG 3.33Å
117	E	94.1	Very high	94.4	Very high	27 Å²	27	50 Å²	50	13%	0.126	26%	0.256	C	S	.	.			trans	-63.6	145.9	-176.6	-67.4	81.8	-173.8	0	0	113.3	V79 R82 C113 T114 G115 D122 C123	V79-E117 HydrophobicContact CG1-CB 4.15Å; V79-E117 HydrophobicContact CG2-CB 3.95Å; R82-E117 PolarHBondContact NE-O 3.31Å; R82-E117 PolarHBondContact NH2-O 2.78Å; C113-E117 WeakPolarHBondContact CB-OE2 2.96Å; T114-E117 WeakPolarHBondContact CB-OE1 3.46Å; T114-E117 WeakPolarHBondContact CG2-OE1 3.31Å; T114-E117 PolarHBondContact N-OE1 3.27Å; T114-E117 PolarHBondContact N-OE2 3.31Å; T114-E117 PolarHBondContact OG1-OE1 2.82Å; T114-E117 PolarHBondContact OG1-OE2 3.36Å; G115-E117 WeakPolarHBondContact CA-OE2 3.42Å; G115-E117 PolarHBondContact N-OE2 2.8Å; E117-D122 HydrophobicContact CB-CB 4.06Å; E117-D122 HydrophobicContact CG-CB 4.15Å; E117-C123 VanDerWaalsContact CG-SG 3.59Å
118	K	90.6	Very high	94.3	Very high	173 Å²	173	52.7 Å²	52.7	75%	0.752	27%	0.266	S	S	*	.	S	Bend	trans	-79.8	-39.1	-179.6	-68	-173.9	-177.1	179.7	0	112.1	D122	K118-D122 PolarHBondContact N-OD2 3.27Å
119	R	95.7	Very high	94.2	Very high	83 Å²	83	54.5 Å²	54.5	31%	0.313	29%	0.285	S	S	.	.	S	Bend	trans	-121.4	150.9	177.8	-57.6	173.7	72.7	100.5	-1.1	109.9	D40 G41 D42 V79 Q83 T121 D122	D40-R119 PolarHBondContact O-NH2 3.32Å; G41-R119 PolarHBondContact O-NH2 3.32Å; D42-R119 IonicContact OD1-CZ 2.67Å; D42-R119 IonicContact OD1-NH1 3.61Å; D42-R119 IonicContact OD1-NH2 2.79Å; D42-R119 PolarHBondContact OD1-NH2 3.37Å; V79-R119 VanDerWaalsContact CG1-C 3.48Å; Q83-R119 VanDerWaalsContact OE1-CA 3.3Å; R119-T121 PolarHBondContact O-N 3.02Å; R119-D122 PolarHBondContact N-OD2 3.48Å; R119-D122 WeakPolarHBondContact O-CB 3.26Å; R119-D122 PolarHBondContact O-N 3.09Å
120	L	97.3	Very high	94.1	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-57.8	-32.1	174.9	-170.1	63.5	0	0	0	111.9	I43 V56 V67 W72 E76 V79 V80 M108 V111 D122 C123	I43-L120 HydrophobicContact CG2-CD2 4.46Å; V56-L120 HydrophobicContact CG1-CD2 4.4Å; V67-L120 HydrophobicContact CG2-CD2 4.08Å; W72-L120 HydrophobicContact CH2-CD1 3.86Å; W72-L120 HydrophobicContact CH2-CD2 4.14Å; W72-L120 HydrophobicContact CZ3-CD1 3.98Å; W72-L120 HydrophobicContact CZ3-CD2 4.43Å; E76-L120 HydrophobicContact CB-CD1 4.47Å; V79-L120 HydrophobicContact CG1-CB 4.45Å; V80-L120 HydrophobicContact CG2-CD1 4.07Å; V80-L120 HydrophobicContact CG2-CD2 4.03Å; M108-L120 HydrophobicContact CE-CG 4.07Å; M108-L120 HydrophobicContact SD-CD2 4.2Å; M108-L120 HydrophobicContact SD-CG 4.32Å; V111-L120 HydrophobicContact CG1-CD1 3.91Å; V111-L120 HydrophobicContact CG1-CG 4.46Å; L120-D122 PolarHBondContact O-N 3.02Å; L120-C123 WeakPolarHBondContact O-CB 3.18Å; L120-C123 PolarHBondContact O-N 3.14Å
121	T	96.6	Very high	94.1	Very high	32 Å²	32	59.9 Å²	59.9	20%	0.196	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-71.3	-13.1	176.5	54.3	0	0	0	0	114.6	G41 M108 R119 C123 W128	G41-T121 VanDerWaalsContact CA-CG2 3.46Å; M108-T121 HydrophobicContact SD-CG2 4.35Å; R119-T121 PolarHBondContact O-N 3.02Å; T121-C123 VanDerWaalsContact C-N 3.28Å; T121-W128 HydrophobicContact CG2-CH2 3.44Å; T121-W128 VanDerWaalsContact CG2-CH2 3.44Å; T121-W128 HydrophobicContact CG2-CZ2 3.53Å
122	D	96.6	Very high	94	Very high	93 Å²	93	65.8 Å²	65.8	50%	0.497	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-81.9	-13.9	174.8	-53.5	-26.3	0	0	0	111.3	E117 K118 R119 L120	E117-D122 HydrophobicContact CB-CB 4.06Å; E117-D122 HydrophobicContact CG-CB 4.15Å; K118-D122 PolarHBondContact N-OD2 3.27Å; R119-D122 PolarHBondContact N-OD2 3.48Å; R119-D122 WeakPolarHBondContact O-CB 3.26Å; R119-D122 PolarHBondContact O-N 3.09Å; L120-D122 PolarHBondContact O-N 3.02Å
123	C	96.9	Very high	93.9	Very high	6 Å²	6	63 Å²	63	4%	0.041	34%	0.335	C	S	.	.	S	Bend	trans	-74.6	158	173.3	-55.5	0	0	0	0	110.8	V111 C113 E117 L120 T121 F125	V111-C123 HydrophobicContact CG1-CB 3.84Å; C113-C123 HydrophobicContact CB-CB 3.98Å; C113-C123 WeakPolarHBondContact CB-SG 3.41Å; C113-C123 WeakPolarHBondContact SG-CB 2.93Å; C113-C123 CovalentContact SG-SG 2.02Å; C113-C123 PolarHBondContact SG-SG 3.23Å; E117-C123 VanDerWaalsContact CG-SG 3.59Å; L120-C123 WeakPolarHBondContact O-CB 3.18Å; L120-C123 PolarHBondContact O-N 3.14Å; T121-C123 VanDerWaalsContact C-N 3.28Å; C123-F125 WeakPolarHBondContact O-CD1 3.27Å
124	R	97.1	Very high	93.6	Very high	170 Å²	170	71.9 Å²	71.9	64%	0.642	37%	0.367	S	S	*	.	B	Isolated β-bridge	trans	-72.3	134.6	173.5	-167	-174	91.6	107.4	3.8	108.9	V111 H112	V111-R124 CarbonylContact C-O 3.57Å; V111-R124 WeakPolarHBondContact CA-O 3.42Å; H112-R124 HydrophobicContact CB-CB 4.44Å; H112-R124 PolarHBondContact N-O 2.79Å; H112-R124 PolarHBondContact O-N 2.02Å; H112-R124 VanDerWaalsContact O-N 3.12Å
125	F	96.8	Very high	93.5	Very high	38 Å²	38	74.2 Å²	74.2	17%	0.167	37%	0.374	C	S	.	.			trans	-149.2	167.9	171.7	68.1	-75.7	0	0	0	109.5	M108 D109 E110 V111 C123 G127 W128	M108-F125 HydrophobicContact CB-CD2 4.26Å; M108-F125 HydrophobicContact CE-CB 4.31Å; M108-F125 HydrophobicContact CE-CD1 3.72Å; M108-F125 HydrophobicContact CE-CD2 4.12Å; M108-F125 HydrophobicContact CE-CE1 3.97Å; M108-F125 HydrophobicContact CE-CE2 4.32Å; M108-F125 HydrophobicContact CE-CG 3.81Å; M108-F125 HydrophobicContact CE-CZ 4.27Å; M108-F125 HydrophobicContact CG-CD2 4.01Å; M108-F125 HydrophobicContact CG-CE2 3.98Å; D109-F125 WeakPolarHBondContact O-CB 3.5Å; E110-F125 WeakPolarHBondContact O-CA 3.49Å; V111-F125 HydrophobicContact CG2-CB 4.2Å; C123-F125 WeakPolarHBondContact O-CD1 3.27Å; F125-G127 VanDerWaalsContact CE2-C 3.41Å; F125-G127 PolarHBondContact O-N 3.12Å; F125-W128 AromaticContact CE2-CD2 3.86Å; F125-W128 HydrophobicContact CE2-CD2 3.86Å; F125-W128 HydrophobicContact CE2-CE3 4.21Å; F125-W128 AromaticContact CE2-CG 3.96Å; F125-W128 HydrophobicContact CE2-CG 3.96Å; F125-W128 AromaticContact CZ-CD1 3.95Å; F125-W128 AromaticContact CZ-CD2 3.83Å; F125-W128 HydrophobicContact CZ-CD2 3.83Å; F125-W128 AromaticContact CZ-CE2 3.68Å; F125-W128 HydrophobicContact CZ-CE3 4.41Å; F125-W128 HydrophobicContact CZ-CG 4.06Å; F125-W128 HydrophobicContact CZ-CZ2 4.19Å; F125-W128 AromaticContact CZ-NE1 3.72Å
126	N	95.2	Very high	94	Very high	77 Å²	77	77.6 Å²	77.6	41%	0.412	39%	0.389	S	S	.	.	S	Bend	trans	-65.9	-3.8	-173.3	-78.1	-16.6	0	0	0	115.3	D109 E110 V130	D109-N126 PolarHBondContact O-N 2.79Å; E110-N126 WeakPolarHBondContact CG-ND2 3.38Å; N126-V130 HydrophobicContact CB-CB 4.28Å; N126-V130 HydrophobicContact CB-CG1 4.1Å
127	G	94.9	Very high	94.4	Very high	24 Å²	24	75.5 Å²	75.5	25%	0.247	37%	0.369	C	S	.	.			trans	100.8	158.5	-171.8	0	0	0	0	0	111.1	F125 G129 V130	F125-G127 VanDerWaalsContact CE2-C 3.41Å; F125-G127 PolarHBondContact O-N 3.12Å; G127-G129 PolarHBondContact O-N 3.41Å; G127-V130 PolarHBondContact O-N 3.23Å
128	W	95.8	Very high	94.5	Very high	66 Å²	66	74.5 Å²	74.5	25%	0.25	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	125.8	-168.7	-67.9	104	0	0	0	113.2	V58 R60 L107 M108 T121 F125 V130	V58-W128 HydrophobicContact CG1-CZ3 4.1Å; V58-W128 HydrophobicContact CG2-CH2 3.91Å; V58-W128 HydrophobicContact CG2-CZ3 4Å; R60-W128 VanDerWaalsContact CD-CD2 3.46Å; L107-W128 HydrophobicContact CB-CE3 4.04Å; L107-W128 HydrophobicContact CB-CZ3 4.2Å; L107-W128 WeakPolarHBondContact O-CA 3.31Å; M108-W128 HydrophobicContact CG-CE3 4.02Å; M108-W128 HydrophobicContact CG-CH2 4.46Å; M108-W128 HydrophobicContact CG-CZ3 3.75Å; M108-W128 HydrophobicContact SD-CH2 4.22Å; M108-W128 HydrophobicContact SD-CZ3 4.04Å; T121-W128 HydrophobicContact CG2-CH2 3.44Å; T121-W128 VanDerWaalsContact CG2-CH2 3.44Å; T121-W128 HydrophobicContact CG2-CZ2 3.53Å; F125-W128 AromaticContact CE2-CD2 3.86Å; F125-W128 HydrophobicContact CE2-CD2 3.86Å; F125-W128 HydrophobicContact CE2-CE3 4.21Å; F125-W128 AromaticContact CE2-CG 3.96Å; F125-W128 HydrophobicContact CE2-CG 3.96Å; F125-W128 AromaticContact CZ-CD1 3.95Å; F125-W128 AromaticContact CZ-CD2 3.83Å; F125-W128 HydrophobicContact CZ-CD2 3.83Å; F125-W128 AromaticContact CZ-CE2 3.68Å; F125-W128 HydrophobicContact CZ-CE3 4.41Å; F125-W128 HydrophobicContact CZ-CG 4.06Å; F125-W128 HydrophobicContact CZ-CZ2 4.19Å; F125-W128 AromaticContact CZ-NE1 3.72Å; W128-V130 PolarHBondContact O-N 3.05Å
129	G	94.2	Very high	94.8	Very high	38 Å²	38	66.3 Å²	66.3	39%	0.392	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	5.6	-178	0	0	0	0	0	114.1	L107 G127	L107-G129 PolarHBondContact O-N 3Å; G127-G129 PolarHBondContact O-N 3.41Å
130	V	96.6	Very high	94.8	Very high	83 Å²	83	62.4 Å²	62.4	50%	0.503	31%	0.314	S	S	.	.			trans	-91.8	100.3	172.7	-177.5	0	0	0	0	107.3	N126 G127 W128	N126-V130 HydrophobicContact CB-CB 4.28Å; N126-V130 HydrophobicContact CB-CG1 4.1Å; G127-V130 PolarHBondContact O-N 3.23Å; W128-V130 PolarHBondContact O-N 3.05Å
131	H	95.2	Very high	94.7	Very high	65 Å²	65	62.4 Å²	62.4	30%	0.301	31%	0.314	S	S	.	.			trans	-149.2	155.6	-179	72.6	90.2	0	0	0	110.7	Y106 D109 C133	Y106-H131 AromaticContact CD2-CE1 3.7Å; Y106-H131 AromaticContact CD2-ND1 3.89Å; Y106-H131 PolarHBondContact O-CD2 2.83Å; D109-H131 HydrophobicContact CB-CB 3.46Å; D109-H131 VanDerWaalsContact CB-CB 3.46Å; D109-H131 WeakPolarHBondContact OD2-CA 3.22Å; D109-H131 VanDerWaalsContact OD2-CB 3.32Å; D109-H131 WeakPolarHBondContact OD2-CB 3.41Å; H131-C133 PolarHBondContact ND1-N 2.92Å; H131-C133 PolarHBondContact ND1-O 3.04Å
132	D	94.9	Very high	94.4	Very high	125 Å²	125	62.2 Å²	62.2	67%	0.668	31%	0.31	S	S	*	.			trans	-114.3	8.3	168.2	66.5	-20.7	0	0	0	113.3	D109	D109-D132 PolarHBondContact OD2-N 2.94Å
133	C	94.1	Very high	94	Very high	11 Å²	11	58 Å²	58	7%	0.074	29%	0.288	C	S	.	.			trans	-60.7	135.9	177.7	-52.9	0	0	0	0	113.5	C68 Y106 D109 H131 E137	C68-C133 HydrophobicContact CB-CB 3.83Å; C68-C133 WeakPolarHBondContact CB-SG 3.4Å; C68-C133 WeakPolarHBondContact SG-CB 3.37Å; C68-C133 CovalentContact SG-SG 1.98Å; C68-C133 PolarHBondContact SG-SG 2.81Å; Y106-C133 HydrophobicContact CD1-CB 4.38Å; Y106-C133 HydrophobicContact CD2-CB 4.14Å; Y106-C133 HydrophobicContact CE1-CB 4.34Å; Y106-C133 HydrophobicContact CE2-CB 4.09Å; Y106-C133 HydrophobicContact CG-CB 4.3Å; D109-C133 PolarHBondContact OD1-SG 3.15Å; D109-C133 PolarHBondContact OD2-SG 3.18Å; D109-C133 VanDerWaalsContact OD2-SG 3.4Å; H131-C133 PolarHBondContact ND1-N 2.92Å; H131-C133 PolarHBondContact ND1-O 3.04Å; C133-E137 WeakPolarHBondContact CA-OE2 3.33Å; C133-E137 HydrophobicContact CB-CB 4.2Å
134	R	90	Very high	93	Very high	197 Å²	197	57.7 Å²	57.7	74%	0.743	29%	0.286	S	S	*	.			trans	-89.6	-171.2	-179.6	-56	-179.8	179.9	-179.8	1.8	110.1	Y106 E137	Y106-R134 VanDerWaalsContact CE2-O 3.32Å; Y106-R134 WeakPolarHBondContact CE2-O 3.36Å; Y106-R134 PolarHBondContact OH-O 3.22Å; R134-E137 WeakPolarHBondContact CA-OE2 3.4Å; R134-E137 WeakPolarHBondContact CB-OE2 3.4Å; R134-E137 PolarHBondContact N-OE2 2.77Å
135	I	85.9	Confident	91.7	Very high	142 Å²	142	51.8 Å²	51.8	73%	0.728	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	138.8	175.2	-58.2	169.9	0	0	0	108.8
136	N	90.1	Very high	90	Very high	87 Å²	87	56.9 Å²	56.9	47%	0.465	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	29.5	178.5	-54.5	-46.8	0	0	0	116	R95 N96 E138	R95-N136 CarbonylContact C-O 3.56Å; R95-N136 WeakPolarHBondContact CA-O 3.21Å; N96-N136 HydrophobicContact CB-CB 3.82Å; N96-N136 PolarHBondContact N-O 2.8Å; N96-N136 PolarHBondContact ND2-OD1 2.54Å; N136-E138 WeakPolarHBondContact CA-OE2 3.35Å
137	E	94.7	Very high	88.2	Confident	49 Å²	49	54.6 Å²	54.6	23%	0.229	28%	0.28	C	S	.	.			trans	-109.4	28.7	176.8	-70.6	-175.5	138	0	0	112	C68 D69 Y106 C133 R134 A139	C68-E137 CarbonylContact C-O 3.56Å; C68-E137 WeakPolarHBondContact CA-O 3.5Å; D69-E137 PolarHBondContact N-O 2.83Å; D69-E137 WeakPolarHBondContact OD1-CB 3.01Å; Y106-E137 VanDerWaalsContact OH-C 3.24Å; Y106-E137 WeakPolarHBondContact OH-CA 3.37Å; Y106-E137 PolarHBondContact OH-N 3.15Å; C133-E137 WeakPolarHBondContact CA-OE2 3.33Å; C133-E137 HydrophobicContact CB-CB 4.2Å; R134-E137 WeakPolarHBondContact CA-OE2 3.4Å; R134-E137 WeakPolarHBondContact CB-OE2 3.4Å; R134-E137 PolarHBondContact N-OE2 2.77Å; E137-A139 PolarHBondContact O-N 3.3Å
138	E	95.7	Very high	86.5	Confident	6 Å²	6	58.7 Å²	58.7	3%	0.028	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-70	127.4	178	-67.6	79.6	-178	0	0	112	T55 K66 N96 Y106 N136	T55-E138 HydrophobicContact CG2-CB 3.8Å; T55-E138 HydrophobicContact CG2-CG 4.17Å; K66-E138 HydrophobicContact CB-CG 4.39Å; K66-E138 HydrophobicContact CD-CG 3.72Å; K66-E138 WeakPolarHBondContact CD-OE1 3.38Å; K66-E138 WeakPolarHBondContact CE-OE1 3.01Å; K66-E138 HydrophobicContact CG-CG 4.38Å; K66-E138 IonicContact NZ-OE1 3.28Å; K66-E138 PolarHBondContact NZ-OE1 3.19Å; N96-E138 HydrophobicContact CB-CB 4.4Å; N96-E138 WeakPolarHBondContact CB-OE2 3.46Å; N96-E138 PolarHBondContact N-O 2.79Å; N96-E138 PolarHBondContact ND2-OE2 3.18Å; Y106-E138 HydrophobicContact CE1-CG 4.45Å; Y106-E138 VanDerWaalsContact OH-CD 3.3Å; Y106-E138 PolarHBondContact OH-N 3.14Å; Y106-E138 PolarHBondContact OH-OE1 2.94Å; Y106-E138 PolarHBondContact OH-OE2 3.49Å; N136-E138 WeakPolarHBondContact CA-OE2 3.35Å
139	A	97.1	Very high	84.6	Confident	0 Å²	0	59 Å²	59	0%	0	31%	0.305	C	S	.	.			trans	-73.8	137.2	170.2	0	0	0	0	0	111.3	V56 V67 D69 W72 E137	V56-A139 PolarHBondContact N-O 1.98Å; V67-A139 HydrophobicContact CB-CB 4.15Å; V67-A139 HydrophobicContact CG1-CB 4.11Å; V67-A139 WeakPolarHBondContact O-CB 3.04Å; V67-A139 PolarHBondContact O-N 3.4Å; D69-A139 HydrophobicContact CB-CB 4.32Å; W72-A139 HydrophobicContact CD2-CB 3.66Å; W72-A139 HydrophobicContact CE3-CB 4.13Å; W72-A139 HydrophobicContact CG-CB 3.81Å; W72-A139 HydrophobicContact CZ2-CB 4.26Å; E137-A139 PolarHBondContact O-N 3.3Å
140	G	95.9	Very high	82.8	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.01	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	164.7	176.2	0	0	0	0	0	111.8	G54 W72 H93	G54-G140 CarbonylContact O-C 3.58Å; G54-G140 WeakPolarHBondContact O-CA 3.43Å; W72-G140 PolarHBondContact NE1-O 2.83Å; W72-G140 VanDerWaalsContact NE1-O 3.17Å; H93-G140 PolarHBondContact N-O 3.06Å; H93-G140 PolarHBondContact O-N 2.88Å
141	V	95.2	Very high	80.8	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	160.2	177.2	-56.9	0	0	0	0	110.9	L45 T53 G54 V56 W72 A77 V80	L45-V141 HydrophobicContact CD1-CG2 3.89Å; L45-V141 HydrophobicContact CD2-CG2 3.55Å; L45-V141 HydrophobicContact CG-CG2 4.39Å; T53-V141 WeakPolarHBondContact CA-O 3.4Å; G54-V141 PolarHBondContact N-O 3.46Å; G54-V141 PolarHBondContact O-N 2.97Å; V56-V141 HydrophobicContact CG2-CG1 3.92Å; V56-V141 HydrophobicContact CG2-CG2 4.16Å; W72-V141 HydrophobicContact CZ2-CG1 3.87Å; A77-V141 HydrophobicContact CB-CB 4.33Å; A77-V141 HydrophobicContact CB-CG1 3.52Å; V80-V141 HydrophobicContact CB-CG1 4.35Å; V80-V141 HydrophobicContact CG1-CG1 4.17Å; V80-V141 HydrophobicContact CG1-CG2 3.72Å
142	K	88.9	Confident	78.5	Confident	28 Å²	28	62 Å²	62	12%	0.122	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	119.2	157.3	178.4	173.9	170.3	-170.2	0	108.2	T53 L90 E91	T53-K142 HydrophobicContact CG2-CB 4.11Å; T53-K142 HydrophobicContact CG2-CG 4.31Å; T53-K142 WeakPolarHBondContact OG1-CG 3.32Å; L90-K142 HydrophobicContact CB-CG 4.34Å; L90-K142 HydrophobicContact CD1-CG 4.36Å; L90-K142 PolarHBondContact N-O 2.98Å; E91-K142 HydrophobicContact CB-CB 3.95Å; E91-K142 HydrophobicContact CG-CB 4.44Å; E91-K142 HydrophobicContact CG-CD 4.19Å; E91-K142 PolarHBondContact N-O 2.98Å; E91-K142 PolarHBondContact O-N 2.78Å; E91-K142 VanDerWaalsContact OE1-CD 3.31Å; E91-K142 WeakPolarHBondContact OE1-CD 3.4Å; E91-K142 IonicContact OE1-NZ 3.61Å; E91-K142 PolarHBondContact OE1-NZ 2.85Å
143	C	88.7	Confident	76.1	Confident	4 Å²	4	60.1 Å²	60.1	3%	0.027	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	153.1	177.4	-58.1	0	0	0	0	111.1	Q52 C81 M86 H88	Q52-C143 HydrophobicContact CB-CB 4.33Å; Q52-C143 PolarHBondContact O-N 3.27Å; C81-C143 WeakPolarHBondContact CA-SG 3.01Å; C81-C143 HydrophobicContact CB-CB 3.67Å; C81-C143 WeakPolarHBondContact CB-SG 3.32Å; C81-C143 WeakPolarHBondContact SG-CA 3.47Å; C81-C143 WeakPolarHBondContact SG-CB 3.47Å; C81-C143 CovalentContact SG-SG 2.04Å; C81-C143 PolarHBondContact SG-SG 3.17Å; M86-C143 HydrophobicContact CB-CB 3.67Å; M86-C143 HydrophobicContact SD-CB 4.4Å; H88-C143 WeakPolarHBondContact O-CA 3.01Å
144	A	76.6	Confident	73.7	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-61.1	152.2	166.9	0	0	0	0	0	109.7	M86 H88 L90 D455	M86-A144 CarbonylContact C-O 3.46Å; H88-A144 WeakPolarHBondContact O-CB 3.42Å; H88-A144 PolarHBondContact O-N 2.77Å; L90-A144 HydrophobicContact CD2-CB 4.09Å; L90-A144 HydrophobicContact CG-CB 4.25Å; A144-D455 HydrophobicContact CB-CB 4.36Å
145	Q	68.8	Low	71.1	Confident	47 Å²	47	63.7 Å²	63.7	22%	0.22	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-73.9	135	163.7	-160.4	151.1	39.1	0	0	106.7	A147 I326 D455	Q145-A147 PolarHBondContact O-N 3Å; Q145-I326 HydrophobicContact CG-CD1 4.31Å; Q145-D455 PolarHBondContact N-OD1 2.79Å; Q145-D455 VanDerWaalsContact N-OD1 3.12Å
146	K	62.2	Low	69.1	Low	144 Å²	144	60.5 Å²	60.5	63%	0.626	31%	0.312	S	S	*	.			trans	-55.4	113.8	178	-174.1	177.9	-178.2	179.8	0	107.7	V148	K146-V148 PolarHBondContact O-N 2.93Å
147	A	55.9	Low	67	Low	30 Å²	30	58 Å²	58	25%	0.248	30%	0.3	C	S	.	.			trans	-52	128.9	176.5	0	0	0	0	0	107.7	Q145 I149	Q145-A147 PolarHBondContact O-N 3Å; A147-I149 VanDerWaalsContact C-N 3.31Å; A147-I149 PolarHBondContact O-N 2.88Å
148	V	59.1	Low	64.9	Low	109 Å²	109	56.1 Å²	56.1	66%	0.661	29%	0.292	S	S	*	.			trans	-64	103.8	170.2	178.7	0	0	0	0	105	K146 I150	K146-V148 PolarHBondContact O-N 2.93Å; V148-I150 VanDerWaalsContact C-N 3.31Å; V148-I150 HydrophobicContact CG1-CG1 4.18Å; V148-I150 PolarHBondContact O-N 3.25Å
149	I	56.9	Low	63	Low	72 Å²	72	64.5 Å²	64.5	37%	0.369	33%	0.329	S	S	.	.			trans	-66.7	101.1	172.5	-63.8	176.6	0	0	0	105.1	A147 D151 R395	A147-I149 VanDerWaalsContact C-N 3.31Å; A147-I149 PolarHBondContact O-N 2.88Å; I149-D151 PolarHBondContact O-N 3.22Å; I149-R395 HydrophobicContact CG2-CB 3.96Å; I149-R395 VanDerWaalsContact CG2-CD 3.5Å; I149-R395 HydrophobicContact CG2-CG 4.15Å
150	I	56.6	Low	61.5	Low	89 Å²	89	66 Å²	66	46%	0.456	34%	0.336	S	S	.	.	B	Isolated β-bridge	trans	-81.9	102.2	167.5	-58.5	167.7	0	0	0	103.8	V148 K152	V148-I150 VanDerWaalsContact C-N 3.31Å; V148-I150 HydrophobicContact CG1-CG1 4.18Å; V148-I150 PolarHBondContact O-N 3.25Å; I150-K152 PolarHBondContact O-N 3.13Å
151	D	55.3	Low	60.5	Low	123 Å²	123	76 Å²	76	66%	0.658	38%	0.38	S	S	*	.			trans	-52.6	112.4	159.2	-76.6	-26.9	0	0	0	104.9	I149 P153	I149-D151 PolarHBondContact O-N 3.22Å; D151-P153 WeakPolarHBondContact O-CD 3.18Å
152	K	45.5	Very low	59.7	Low	37 Å²	37	79.2 Å²	79.2	16%	0.161	39%	0.394	C	S	.	.			trans	-57.6	115.4	173.9	-93.9	-171.1	172.6	175.7	0	104.7	I150 L154 E388 L396 F508	I150-K152 PolarHBondContact O-N 3.13Å; K152-L154 PolarHBondContact O-N 3.43Å; K152-E388 VanDerWaalsContact CE-OE1 3.29Å; K152-E388 WeakPolarHBondContact CE-OE1 3.39Å; K152-E388 IonicContact NZ-OE1 3.55Å; K152-E388 PolarHBondContact NZ-OE1 3.22Å; K152-E388 VanDerWaalsContact NZ-OE1 3.12Å; K152-E388 IonicContact NZ-OE2 2.93Å; K152-E388 PolarHBondContact NZ-OE2 3.49Å; K152-L396 HydrophobicContact CD-CB 4.35Å; K152-L396 HydrophobicContact CG-CB 3.99Å; K152-L396 HydrophobicContact CG-CD2 4.35Å; K152-F508 WeakPolarHBondContact CD-O 3.18Å; K152-F508 WeakPolarHBondContact CD-OXT 3.37Å; K152-F508 WeakPolarHBondContact CE-O 3.06Å; K152-F508 PolarHBondContact NZ-O 3.48Å
153	P	44.9	Very low	59.4	Low	86 Å²	86	81.7 Å²	81.7	56%	0.558	41%	0.411	S	S	*	.			trans	-56.6	121.9	171.9	23.2	-29.3	0	0	0	104.3	D151 W155 N156	D151-P153 WeakPolarHBondContact O-CD 3.18Å; P153-W155 VanDerWaalsContact O-CA 3.23Å; P153-W155 WeakPolarHBondContact O-CA 2.97Å; P153-W155 PolarHBondContact O-N 2.81Å; P153-N156 HydrophobicContact CB-CB 4.32Å
154	L	44.1	Very low	59.1	Low	168 Å²	168	87.5 Å²	87.5	88%	0.88	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-31.2	106.9	172.7	-122.4	110.3	0	0	0	105.7	K152 N156	K152-L154 PolarHBondContact O-N 3.43Å; L154-N156 VanDerWaalsContact C-N 3.27Å; L154-N156 WeakPolarHBondContact O-CA 3.32Å; L154-N156 PolarHBondContact O-N 2.81Å
155	W	35.8	Very low	59.6	Low	115 Å²	115	93.9 Å²	93.9	44%	0.436	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-27.5	97.1	-159.4	169.7	84.4	0	0	0	108.8	P153 P157 G253 Y254	P153-W155 VanDerWaalsContact O-CA 3.23Å; P153-W155 WeakPolarHBondContact O-CA 2.97Å; P153-W155 PolarHBondContact O-N 2.81Å; W155-P157 HydrophobicContact CD2-CB 4.46Å; W155-P157 HydrophobicContact CE3-CB 3.88Å; W155-P157 HydrophobicContact CH2-CB 3.26Å; W155-P157 HydrophobicContact CZ2-CB 4Å; W155-P157 HydrophobicContact CZ3-CB 3.29Å; W155-P157 HydrophobicContact CZ3-CG 4.19Å; W155-P157 WeakPolarHBondContact O-CD 3.29Å; W155-G253 WeakPolarHBondContact CH2-O 3.35Å; W155-Y254 HydrophobicContact CE3-CD1 4.29Å; W155-Y254 HydrophobicContact CE3-CE1 4.48Å; W155-Y254 AromaticContact CH2-CD1 3.84Å; W155-Y254 HydrophobicContact CH2-CD1 3.84Å; W155-Y254 AromaticContact CH2-CG 3.85Å; W155-Y254 HydrophobicContact CH2-CG 3.85Å; W155-Y254 AromaticContact CZ3-CD1 3.23Å; W155-Y254 HydrophobicContact CZ3-CD1 3.23Å; W155-Y254 HydrophobicContact CZ3-CD2 4.42Å; W155-Y254 AromaticContact CZ3-CE1 3.79Å; W155-Y254 HydrophobicContact CZ3-CE1 3.79Å; W155-Y254 AromaticContact CZ3-CG 3.58Å; W155-Y254 HydrophobicContact CZ3-CG 3.58Å
156	N	42.3	Very low	60.5	Low	75 Å²	75	95.9 Å²	95.9	40%	0.401	48%	0.481	S	S	.	.			trans	-82.1	96.2	-165.4	173.3	-7.1	0	0	0	103.2	P153 L154 L158 K159	P153-N156 HydrophobicContact CB-CB 4.32Å; L154-N156 VanDerWaalsContact C-N 3.27Å; L154-N156 WeakPolarHBondContact O-CA 3.32Å; L154-N156 PolarHBondContact O-N 2.81Å; N156-L158 PolarHBondContact O-N 3.27Å; N156-K159 PolarHBondContact OD1-N 2.85Å; N156-K159 VanDerWaalsContact OD1-N 3.15Å
157	P	47.1	Very low	61.6	Low	34 Å²	34	90.2 Å²	90.2	22%	0.221	46%	0.457	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-22.2	-157.9	21.9	-30.1	0	0	0	111.7	W155 Y268	W155-P157 HydrophobicContact CD2-CB 4.46Å; W155-P157 HydrophobicContact CE3-CB 3.88Å; W155-P157 HydrophobicContact CH2-CB 3.26Å; W155-P157 HydrophobicContact CZ2-CB 4Å; W155-P157 HydrophobicContact CZ3-CB 3.29Å; W155-P157 HydrophobicContact CZ3-CG 4.19Å; W155-P157 WeakPolarHBondContact O-CD 3.29Å; P157-Y268 HydrophobicContact CG-CE2 4.44Å
158	L	50.5	Low	63.2	Low	10 Å²	10	92.8 Å²	92.8	5%	0.052	46%	0.464	C	S	.	.	T	Hydrogen-bonded Turn	trans	-140.7	-0.9	-155.6	-53.7	162	0	0	0	112.2	N156 L160 H212 I251 Y268	N156-L158 PolarHBondContact O-N 3.27Å; L158-L160 HydrophobicContact CB-CB 4.29Å; L158-L160 HydrophobicContact CB-CD1 3.24Å; L158-L160 HydrophobicContact CB-CD2 3.86Å; L158-L160 HydrophobicContact CB-CG 3.16Å; L158-L160 HydrophobicContact CD1-CD1 3.26Å; L158-L160 HydrophobicContact CD1-CG 4.24Å; L158-L160 HydrophobicContact CG-CD1 3.77Å; L158-L160 HydrophobicContact CG-CG 4.23Å; L158-L160 PolarHBondContact O-N 2.89Å; L158-H212 VanDerWaalsContact CA-CE1 3.46Å; L158-H212 WeakPolarHBondContact CA-CE1 3.3Å; L158-H212 HydrophobicContact CD2-CB 3.31Å; L158-H212 VanDerWaalsContact CD2-ND1 3.25Å; L158-H212 WeakPolarHBondContact CD2-ND1 3.43Å; L158-H212 PolarHBondContact O-CE1 3.27Å; L158-H212 VanDerWaalsContact O-CE1 3.22Å; L158-I251 HydrophobicContact CD1-CB 4.37Å; L158-I251 HydrophobicContact CD1-CG2 3.48Å; L158-I251 VanDerWaalsContact CD1-CG2 3.48Å; L158-I251 HydrophobicContact CD2-CG2 3.44Å; L158-I251 VanDerWaalsContact CD2-CG2 3.44Å; L158-I251 HydrophobicContact CG-CG2 4Å; L158-Y268 HydrophobicContact CD1-CD2 3.55Å; L158-Y268 HydrophobicContact CD1-CE2 3.53Å
159	K	55.9	Low	64.8	Low	183 Å²	183	95.1 Å²	95.1	80%	0.796	47%	0.465	S	S	*	.			trans	41.1	34.3	-169.3	-72.9	-179.4	179.3	172.2	0	111.9	N156	N156-K159 PolarHBondContact OD1-N 2.85Å; N156-K159 VanDerWaalsContact OD1-N 3.15Å
160	L	64.9	Low	66.5	Low	31 Å²	31	92.2 Å²	92.2	16%	0.162	45%	0.45	C	S	.	.			trans	-75.5	141.4	-168.4	-66.4	164.1	0	0	0	109.2	L158 F162 L167 I251	L158-L160 HydrophobicContact CB-CB 4.29Å; L158-L160 HydrophobicContact CB-CD1 3.24Å; L158-L160 HydrophobicContact CB-CD2 3.86Å; L158-L160 HydrophobicContact CB-CG 3.16Å; L158-L160 HydrophobicContact CD1-CD1 3.26Å; L158-L160 HydrophobicContact CD1-CG 4.24Å; L158-L160 HydrophobicContact CG-CD1 3.77Å; L158-L160 HydrophobicContact CG-CG 4.23Å; L158-L160 PolarHBondContact O-N 2.89Å; L160-F162 HydrophobicContact CB-CB 4.49Å; L160-F162 HydrophobicContact CB-CD2 3.37Å; L160-F162 HydrophobicContact CB-CE2 3.88Å; L160-F162 HydrophobicContact CB-CG 4.27Å; L160-F162 HydrophobicContact CD1-CD2 3.73Å; L160-F162 HydrophobicContact CD1-CE2 3.92Å; L160-F162 HydrophobicContact CD2-CD2 4.41Å; L160-F162 HydrophobicContact CD2-CE2 4.06Å; L160-F162 HydrophobicContact CG-CD2 3.98Å; L160-F162 HydrophobicContact CG-CE2 4.12Å; L160-F162 PolarHBondContact O-N 3.12Å; L160-L167 HydrophobicContact CD1-CD2 4.24Å; L160-I251 HydrophobicContact CD1-CD1 3.55Å; L160-I251 HydrophobicContact CD2-CD1 3.55Å; L160-I251 HydrophobicContact CG-CD1 4.2Å
161	K	74.9	Confident	68.2	Low	211 Å²	211	89.7 Å²	89.7	92%	0.917	44%	0.441	S	S	*	.	S	Bend	trans	-78.2	50.8	173.9	-60.2	-178.5	-179.8	179	0	110.6
162	F	78.5	Confident	70	Confident	67 Å²	67	91.3 Å²	91.3	29%	0.294	44%	0.442	S	S	.	.			trans	-120	146.7	175.8	-62.5	-59.8	0	0	0	110.8	L160 E166 L167 M170 I251 I274	L160-F162 HydrophobicContact CB-CB 4.49Å; L160-F162 HydrophobicContact CB-CD2 3.37Å; L160-F162 HydrophobicContact CB-CE2 3.88Å; L160-F162 HydrophobicContact CB-CG 4.27Å; L160-F162 HydrophobicContact CD1-CD2 3.73Å; L160-F162 HydrophobicContact CD1-CE2 3.92Å; L160-F162 HydrophobicContact CD2-CD2 4.41Å; L160-F162 HydrophobicContact CD2-CE2 4.06Å; L160-F162 HydrophobicContact CG-CD2 3.98Å; L160-F162 HydrophobicContact CG-CE2 4.12Å; L160-F162 PolarHBondContact O-N 3.12Å; F162-E166 HydrophobicContact CB-CB 4.28Å; F162-L167 HydrophobicContact CB-CD2 3.95Å; F162-L167 HydrophobicContact CB-CG 3.93Å; F162-L167 HydrophobicContact CD2-CD2 4.09Å; F162-L167 HydrophobicContact CG-CD2 4.41Å; F162-M170 HydrophobicContact CE2-CE 4.46Å; F162-I251 HydrophobicContact CE2-CD1 4.44Å; F162-I274 HydrophobicContact CE2-CG2 4.31Å; F162-I274 HydrophobicContact CZ-CG2 4.09Å
163	T	82.9	Confident	72.3	Confident	80 Å²	80	90.9 Å²	90.9	49%	0.491	44%	0.441	S	S	.	.			trans	-73.5	157.5	170.1	65	0	0	0	0	110.9	L165 E166 L167	T163-L165 PolarHBondContact O-N 3.24Å; T163-E166 WeakPolarHBondContact CB-OE2 3.46Å; T163-E166 WeakPolarHBondContact CG2-OE2 3.45Å; T163-E166 PolarHBondContact N-OE2 3.36Å; T163-E166 WeakPolarHBondContact O-CB 3.29Å; T163-E166 PolarHBondContact O-N 2.88Å; T163-E166 VanDerWaalsContact O-N 3.12Å; T163-E166 VanDerWaalsContact OG1-CD 3.24Å; T163-E166 VanDerWaalsContact OG1-CG 3.25Å; T163-E166 WeakPolarHBondContact OG1-CG 3.46Å; T163-E166 PolarHBondContact OG1-N 3.02Å; T163-E166 PolarHBondContact OG1-OE2 3.43Å; T163-L167 WeakPolarHBondContact O-CG 3.47Å; T163-L167 PolarHBondContact O-N 3.24Å
164	Q	82.1	Confident	74.7	Confident	127 Å²	127	93.6 Å²	93.6	59%	0.593	44%	0.444	S	S	*	.	H	α-helix	trans	-55.4	-39.7	176.2	-178.1	62.1	19.7	0	0	112.4	E166 L167 E168	Q164-E166 PolarHBondContact O-N 3.32Å; Q164-L167 PolarHBondContact O-N 2.86Å; Q164-E168 PolarHBondContact NE2-OE1 2.95Å; Q164-E168 WeakPolarHBondContact O-CB 3.09Å; Q164-E168 WeakPolarHBondContact O-CG 3.29Å; Q164-E168 PolarHBondContact O-N 3.38Å
165	L	86.5	Confident	77.2	Confident	133 Å²	133	86.3 Å²	86.3	70%	0.696	41%	0.405	S	S	*	.	H	α-helix	trans	-64.7	-40	178.9	-176.3	66.7	0	0	0	112.1	T163 K169	T163-L165 PolarHBondContact O-N 3.24Å; L165-K169 WeakPolarHBondContact O-CB 3.07Å; L165-K169 PolarHBondContact O-N 3.42Å
166	E	87.8	Confident	80	Confident	89 Å²	89	86.3 Å²	86.3	42%	0.416	41%	0.408	S	S	.	.	H	α-helix	trans	-64.6	-48	175.4	-72.9	163.7	141.4	0	0	110.8	F162 T163 Q164 E168 K169 M170	F162-E166 HydrophobicContact CB-CB 4.28Å; T163-E166 WeakPolarHBondContact CB-OE2 3.46Å; T163-E166 WeakPolarHBondContact CG2-OE2 3.45Å; T163-E166 PolarHBondContact N-OE2 3.36Å; T163-E166 WeakPolarHBondContact O-CB 3.29Å; T163-E166 PolarHBondContact O-N 2.88Å; T163-E166 VanDerWaalsContact O-N 3.12Å; T163-E166 VanDerWaalsContact OG1-CD 3.24Å; T163-E166 VanDerWaalsContact OG1-CG 3.25Å; T163-E166 WeakPolarHBondContact OG1-CG 3.46Å; T163-E166 PolarHBondContact OG1-N 3.02Å; T163-E166 PolarHBondContact OG1-OE2 3.43Å; Q164-E166 PolarHBondContact O-N 3.32Å; E166-E168 VanDerWaalsContact C-N 3.32Å; E166-E168 PolarHBondContact O-N 3.49Å; E166-K169 PolarHBondContact O-N 2.97Å; E166-K169 VanDerWaalsContact O-N 3.16Å; E166-M170 WeakPolarHBondContact O-CB 3.28Å; E166-M170 VanDerWaalsContact O-CG 3.26Å; E166-M170 WeakPolarHBondContact O-CG 3.18Å; E166-M170 PolarHBondContact O-N 2.99Å
167	L	86.9	Confident	82.6	Confident	26 Å²	26	83.8 Å²	83.8	14%	0.136	40%	0.395	C	S	.	.	H	α-helix	trans	-58	-43.9	176.8	-70	174.6	0	0	0	111.7	L160 F162 T163 Q164 K169 M170 S171 Y268	L160-L167 HydrophobicContact CD1-CD2 4.24Å; F162-L167 HydrophobicContact CB-CD2 3.95Å; F162-L167 HydrophobicContact CB-CG 3.93Å; F162-L167 HydrophobicContact CD2-CD2 4.09Å; F162-L167 HydrophobicContact CG-CD2 4.41Å; T163-L167 WeakPolarHBondContact O-CG 3.47Å; T163-L167 PolarHBondContact O-N 3.24Å; Q164-L167 PolarHBondContact O-N 2.86Å; L167-K169 PolarHBondContact O-N 2.95Å; L167-M170 PolarHBondContact O-N 3.19Å; L167-S171 VanDerWaalsContact O-CB 3.25Å; L167-S171 WeakPolarHBondContact O-CB 3.47Å; L167-S171 PolarHBondContact O-N 3.42Å; L167-S171 PolarHBondContact O-OG 3.41Å; L167-Y268 HydrophobicContact CB-CD1 4.17Å; L167-Y268 HydrophobicContact CB-CE1 3.76Å; L167-Y268 HydrophobicContact CD2-CD1 3.75Å; L167-Y268 HydrophobicContact CD2-CE1 3.73Å; L167-Y268 HydrophobicContact CD2-CG 4.23Å; L167-Y268 HydrophobicContact CG-CE1 4.29Å; L167-Y268 WeakPolarHBondContact O-CD1 3.39Å
168	E	88.9	Confident	84.8	Confident	84 Å²	84	84.1 Å²	84.1	39%	0.393	40%	0.395	S	S	.	.	H	α-helix	trans	-62.6	-41.9	176.7	-78.2	176.5	-164.8	0	0	112.5	Q164 E166 S171 K172	Q164-E168 PolarHBondContact NE2-OE1 2.95Å; Q164-E168 WeakPolarHBondContact O-CB 3.09Å; Q164-E168 WeakPolarHBondContact O-CG 3.29Å; Q164-E168 PolarHBondContact O-N 3.38Å; E166-E168 VanDerWaalsContact C-N 3.32Å; E166-E168 PolarHBondContact O-N 3.49Å; E168-S171 PolarHBondContact O-N 3.4Å; E168-S171 PolarHBondContact O-OG 3.26Å; E168-K172 WeakPolarHBondContact O-CG 3.42Å
169	K	92	Very high	86.8	Confident	157 Å²	157	84.1 Å²	84.1	68%	0.683	40%	0.396	S	S	*	.	H	α-helix	trans	-64.2	-48.5	176.2	-177	-176.8	174.9	-171	0	111.3	L165 E166 L167 S171 K172	L165-K169 WeakPolarHBondContact O-CB 3.07Å; L165-K169 PolarHBondContact O-N 3.42Å; E166-K169 PolarHBondContact O-N 2.97Å; E166-K169 VanDerWaalsContact O-N 3.16Å; L167-K169 PolarHBondContact O-N 2.95Å; K169-S171 VanDerWaalsContact C-N 3.28Å; K169-S171 PolarHBondContact O-N 2.92Å; K169-K172 PolarHBondContact O-N 2.79Å
170	M	92.4	Very high	87.8	Confident	12 Å²	12	82.7 Å²	82.7	6%	0.059	39%	0.392	C	S	.	.	H	α-helix	trans	-62.2	-36.7	179.3	-69.2	172	77.5	0	0	111.8	F162 E166 L167 K172 I173 Y268 I269 D270 I274	F162-M170 HydrophobicContact CE2-CE 4.46Å; E166-M170 WeakPolarHBondContact O-CB 3.28Å; E166-M170 VanDerWaalsContact O-CG 3.26Å; E166-M170 WeakPolarHBondContact O-CG 3.18Å; E166-M170 PolarHBondContact O-N 2.99Å; L167-M170 PolarHBondContact O-N 3.19Å; M170-K172 PolarHBondContact O-N 2.81Å; M170-I173 PolarHBondContact O-N 3.28Å; M170-Y268 HydrophobicContact CB-CD1 4.23Å; M170-I269 WeakPolarHBondContact CB-O 3.49Å; M170-I269 WeakPolarHBondContact CG-O 3.27Å; M170-I269 PolarHBondContact O-N 3.37Å; M170-D270 HydrophobicContact CE-CB 4.23Å; M170-I274 HydrophobicContact CE-CD1 3.48Å; M170-I274 VanDerWaalsContact CE-CD1 3.48Å; M170-I274 HydrophobicContact CE-CG1 3.89Å
171	S	92.3	Very high	87.7	Confident	36 Å²	36	87 Å²	87	25%	0.252	41%	0.411	S	S	.	.	H	α-helix	trans	-71.2	-13.8	-178.2	72.5	0	0	0	0	115.1	L167 E168 K169 S267	L167-S171 VanDerWaalsContact O-CB 3.25Å; L167-S171 WeakPolarHBondContact O-CB 3.47Å; L167-S171 PolarHBondContact O-N 3.42Å; L167-S171 PolarHBondContact O-OG 3.41Å; E168-S171 PolarHBondContact O-N 3.4Å; E168-S171 PolarHBondContact O-OG 3.26Å; K169-S171 VanDerWaalsContact C-N 3.28Å; K169-S171 PolarHBondContact O-N 2.92Å; S171-S267 VanDerWaalsContact CA-O 3.27Å; S171-S267 WeakPolarHBondContact CA-O 3.36Å
172	K	93.2	Very high	86.8	Confident	157 Å²	157	80.4 Å²	80.4	68%	0.683	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-13.2	178.4	-70.8	171	-174.9	173.6	0	113.1	E168 K169 M170	E168-K172 WeakPolarHBondContact O-CG 3.42Å; K169-K172 PolarHBondContact O-N 2.79Å; M170-K172 PolarHBondContact O-N 2.81Å
173	I	94.6	Very high	85.3	Confident	28 Å²	28	83.5 Å²	83.5	14%	0.144	41%	0.405	C	S	.	.			trans	-76.9	126.4	-178.6	-66.4	167.2	0	0	0	109	M170 T200 I269 Y271	M170-I173 PolarHBondContact O-N 3.28Å; I173-T200 HydrophobicContact CG2-CG2 4.15Å; I173-I269 HydrophobicContact CB-CB 4.02Å; I173-I269 HydrophobicContact CB-CG2 4.36Å; I173-I269 VanDerWaalsContact CD1-O 3.29Å; I173-I269 WeakPolarHBondContact CD1-O 3.42Å; I173-I269 HydrophobicContact CG2-CB 3.85Å; I173-I269 HydrophobicContact CG2-CD1 4.19Å; I173-I269 HydrophobicContact CG2-CG2 3.68Å; I173-Y271 HydrophobicContact CD1-CD2 4.27Å; I173-Y271 HydrophobicContact CD1-CE2 3.62Å; I173-Y271 HydrophobicContact CG1-CE2 4.25Å; I173-Y271 HydrophobicContact CG2-CE1 3.93Å
174	K	95.1	Very high	83.4	Confident	142 Å²	142	83.8 Å²	83.8	62%	0.617	40%	0.403	S	S	*	.			trans	-95.5	146.6	-179.5	-64.4	-172.4	176.7	-171.7	0	111.1	K201	K174-K201 HydrophobicContact CB-CD 4.34Å; K174-K201 HydrophobicContact CB-CG 4.4Å; K174-K201 PolarHBondContact O-N 3.37Å
175	F	96.2	Very high	81.4	Confident	15 Å²	15	81.9 Å²	81.9	7%	0.066	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	169.5	178.1	70	-79	0	0	0	111.6	V177 I198 E199 L252 L262 S267 I269	F175-V177 HydrophobicContact CE2-CG2 4.3Å; F175-I198 HydrophobicContact CB-CB 4.31Å; F175-I198 HydrophobicContact CB-CD1 4.01Å; F175-I198 HydrophobicContact CD2-CB 3.69Å; F175-I198 HydrophobicContact CD2-CD1 4.11Å; F175-I198 HydrophobicContact CD2-CG2 3.42Å; F175-I198 VanDerWaalsContact CD2-CG2 3.42Å; F175-I198 HydrophobicContact CE2-CB 4.42Å; F175-I198 HydrophobicContact CE2-CG2 3.65Å; F175-I198 HydrophobicContact CG-CB 4.34Å; F175-I198 HydrophobicContact CG-CD1 4.07Å; F175-I198 HydrophobicContact CG-CG2 4.41Å; F175-E199 CarbonylContact C-O 3.59Å; F175-E199 VanDerWaalsContact CA-O 3.3Å; F175-E199 WeakPolarHBondContact CA-O 3.11Å; F175-L252 HydrophobicContact CZ-CD2 4.33Å; F175-L262 HydrophobicContact CE2-CB 4.16Å; F175-L262 HydrophobicContact CZ-CB 4.17Å; F175-L262 WeakPolarHBondContact CZ-O 3.16Å; F175-S267 WeakPolarHBondContact CE1-OG 3.41Å; F175-I269 HydrophobicContact CB-CD1 3.79Å; F175-I269 HydrophobicContact CD1-CD1 3.27Å; F175-I269 HydrophobicContact CE1-CD1 4.06Å; F175-I269 HydrophobicContact CG-CD1 3.78Å
176	K	95.7	Very high	79.4	Confident	115 Å²	115	85 Å²	85	50%	0.5	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	150.4	164.4	60.7	175.9	179.7	172.2	0	109.2	I178 I198 E199	K176-I178 HydrophobicContact CD-CG2 4.35Å; K176-I178 HydrophobicContact CG-CG2 4.15Å; K176-I198 CarbonylContact O-C 3.54Å; K176-I198 VanDerWaalsContact O-CA 3.27Å; K176-I198 WeakPolarHBondContact O-CA 3.47Å; K176-E199 WeakPolarHBondContact CE-OE2 3.41Å; K176-E199 HydrophobicContact CG-CB 4.2Å; K176-E199 PolarHBondContact N-O 3.17Å; K176-E199 IonicContact NZ-OE2 2.72Å; K176-E199 PolarHBondContact NZ-OE2 3.4Å; K176-E199 PolarHBondContact O-N 3.23Å
177	V	95.8	Very high	77.1	Confident	22 Å²	22	87.5 Å²	87.5	13%	0.133	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	130	171.3	178.2	0	0	0	0	108.2	F175 S179 F221 L225 L262	F175-V177 HydrophobicContact CE2-CG2 4.3Å; V177-S179 WeakPolarHBondContact CG1-OG 3.22Å; V177-F221 HydrophobicContact CG1-CD2 4.25Å; V177-F221 HydrophobicContact CG1-CE2 3.8Å; V177-L225 HydrophobicContact CG1-CD2 4.29Å; V177-L262 HydrophobicContact CG2-CB 4.01Å; V177-L262 HydrophobicContact CG2-CD1 3.9Å; V177-L262 HydrophobicContact CG2-CG 4.31Å
178	I	94.4	Very high	75.2	Confident	42 Å²	42	92.4 Å²	92.4	22%	0.215	46%	0.459	C	S	.	.			trans	-117.9	11.6	176.3	60.1	161.5	0	0	0	111.8	K176 Q180 L197 E199 K205	K176-I178 HydrophobicContact CD-CG2 4.35Å; K176-I178 HydrophobicContact CG-CG2 4.15Å; I178-Q180 PolarHBondContact O-N 2.83Å; I178-L197 HydrophobicContact CD1-CB 4.35Å; I178-L197 HydrophobicContact CG1-CB 3.78Å; I178-L197 PolarHBondContact N-O 3.33Å; I178-E199 HydrophobicContact CD1-CB 4.14Å; I178-E199 HydrophobicContact CG1-CB 4.37Å; I178-E199 HydrophobicContact CG2-CB 3.56Å; I178-K205 HydrophobicContact CD1-CB 4.18Å; I178-K205 HydrophobicContact CD1-CD 3.77Å; I178-K205 HydrophobicContact CD1-CG 3.83Å
179	S	92	Very high	73.2	Confident	9 Å²	9	97.3 Å²	97.3	6%	0.063	48%	0.482	C	S	.	.			trans	-61.8	130.8	177.1	-52.8	0	0	0	0	108.8	V177 P195 L197 F221 L225	V177-S179 WeakPolarHBondContact CG1-OG 3.22Å; S179-P195 WeakPolarHBondContact CB-O 3.17Å; S179-P195 PolarHBondContact OG-O 2.93Å; S179-L197 PolarHBondContact N-O 3.46Å; S179-L197 PolarHBondContact OG-N 3.32Å; S179-L197 PolarHBondContact OG-O 3.49Å; S179-F221 WeakPolarHBondContact OG-CE2 3.04Å; S179-L225 WeakPolarHBondContact O-CD2 3.47Å
180	Q	77	Confident	71.3	Confident	153 Å²	153	92.2 Å²	92.2	72%	0.715	47%	0.467	S	S	*	.			trans	-113.8	148.7	170.9	-66.5	-178.2	-7.1	0	0	107.4	I178 L182	I178-Q180 PolarHBondContact O-N 2.83Å; Q180-L182 VanDerWaalsContact C-N 3.29Å; Q180-L182 PolarHBondContact O-N 3.23Å
181	Q	63	Low	69.7	Low	123 Å²	123	94.8 Å²	94.8	58%	0.575	49%	0.485	S	S	*	.			trans	-65.2	95.9	171.2	-169.3	173.4	-6	0	0	107.9	N183 I194	Q181-N183 PolarHBondContact O-N 2.87Å; Q181-I194 HydrophobicContact CB-CD1 4.42Å; Q181-I194 HydrophobicContact CG-CD1 4.2Å
182	L	55.2	Low	68.8	Low	71 Å²	71	96.1 Å²	96.1	37%	0.372	49%	0.489	S	S	.	.			trans	-71.2	111.2	174.9	-81.6	154.6	0	0	0	107.1	Q180 L184 I192 P195	Q180-L182 VanDerWaalsContact C-N 3.29Å; Q180-L182 PolarHBondContact O-N 3.23Å; L182-L184 HydrophobicContact CB-CD1 3.69Å; L182-L184 HydrophobicContact CB-CG 3.91Å; L182-L184 HydrophobicContact CD1-CD1 4.2Å; L182-L184 HydrophobicContact CG-CD1 4.48Å; L182-L184 PolarHBondContact O-N 2.79Å; L182-I192 WeakPolarHBondContact O-CG2 3.41Å; L182-P195 HydrophobicContact CD1-CG 3.71Å
183	N	46.3	Very low	68.5	Low	133 Å²	133	90.7 Å²	90.7	71%	0.711	47%	0.466	S	S	*	.			trans	-69.3	71.1	160.9	-85.2	-17.8	0	0	0	108.1	Q181 S185	Q181-N183 PolarHBondContact O-N 2.87Å; N183-S185 PolarHBondContact O-N 2.91Å
184	L	44.4	Very low	68.4	Low	85 Å²	85	89.5 Å²	89.5	45%	0.445	46%	0.46	S	S	.	.			trans	-67.6	98.5	172.2	-82.9	146	0	0	0	107	L182	L182-L184 HydrophobicContact CB-CD1 3.69Å; L182-L184 HydrophobicContact CB-CG 3.91Å; L182-L184 HydrophobicContact CD1-CD1 4.2Å; L182-L184 HydrophobicContact CG-CD1 4.48Å; L182-L184 PolarHBondContact O-N 2.79Å
185	S	40.6	Very low	68.4	Low	87 Å²	87	82.9 Å²	82.9	61%	0.608	43%	0.431	S	S	*	.			trans	75.9	137.2	167.8	45.8	0	0	0	0	119.6	N183 H187	N183-S185 PolarHBondContact O-N 2.91Å; S185-H187 PolarHBondContact O-N 3.39Å
186	H	43	Very low	68.4	Low	199 Å²	199	82.2 Å²	82.2	92%	0.921	43%	0.428	S	S	*	.	S	Bend	trans	-68.6	28.9	176.9	-73.5	11.6	0	0	0	114.5
187	H	39.8	Very low	68.4	Low	142 Å²	142	77.5 Å²	77.5	66%	0.657	41%	0.409	S	S	*	.			trans	-103.2	113.8	177.1	-125	-47.2	0	0	0	109.7	S185 Q189 S190	S185-H187 PolarHBondContact O-N 3.39Å; H187-Q189 PolarHBondContact O-N 3.36Å; H187-S190 PolarHBondContact O-N 3.2Å; H187-S190 PolarHBondContact O-OG 2.68Å
188	P	47.5	Very low	68.4	Low	128 Å²	128	76.5 Å²	76.5	83%	0.831	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	5	-171.5	23	-32.8	0	0	0	115.6
189	Q	47.1	Very low	68.5	Low	187 Å²	187	76.2 Å²	76.2	87%	0.874	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-128.1	4	-178	-69.4	-159.2	-10.2	0	0	115.2	H187	H187-Q189 PolarHBondContact O-N 3.36Å
190	S	51	Low	68.6	Low	51 Å²	51	76 Å²	76	36%	0.357	40%	0.398	S	S	.	.	S	Bend	trans	-81.8	122.9	172.5	53.4	0	0	0	0	110.5	H187 I192	H187-S190 PolarHBondContact O-N 3.2Å; H187-S190 PolarHBondContact O-OG 2.68Å; S190-I192 PolarHBondContact O-N 3.23Å
191	S	59.1	Low	69.3	Low	65 Å²	65	76.8 Å²	76.8	46%	0.455	40%	0.4	S	S	.	.			trans	-50.6	122	167.4	-75.2	0	0	0	0	110.4	F193 E285	S191-F193 WeakPolarHBondContact O-CD2 3.18Å; S191-F193 PolarHBondContact O-N 2Å; S191-E285 WeakPolarHBondContact CB-OE1 3.37Å; S191-E285 PolarHBondContact OG-OE1 3.28Å
192	I	73.8	Confident	70.7	Confident	65 Å²	65	75.5 Å²	75.5	33%	0.333	40%	0.396	S	S	.	.			trans	-86.6	105.5	-178.1	-58.3	174.3	0	0	0	108.1	L182 S190	L182-I192 WeakPolarHBondContact O-CG2 3.41Å; S190-I192 PolarHBondContact O-N 3.23Å
193	F	87.4	Confident	72.5	Confident	42 Å²	42	74 Å²	74	18%	0.184	40%	0.399	C	S	.	.			trans	-93.5	132.5	173.2	-63.1	-83.9	0	0	0	110.6	S191 I234 M236 A283 E285	S191-F193 WeakPolarHBondContact O-CD2 3.18Å; S191-F193 PolarHBondContact O-N 2Å; F193-I234 HydrophobicContact CB-CD1 3.92Å; F193-I234 HydrophobicContact CD1-CB 4.42Å; F193-I234 HydrophobicContact CD1-CD1 3.3Å; F193-I234 HydrophobicContact CD1-CG1 3.51Å; F193-I234 HydrophobicContact CD1-CG2 4.05Å; F193-I234 HydrophobicContact CD2-CD1 3.76Å; F193-I234 HydrophobicContact CE1-CB 4.29Å; F193-I234 HydrophobicContact CE1-CD1 3.65Å; F193-I234 HydrophobicContact CE1-CG1 3.86Å; F193-I234 HydrophobicContact CE1-CG2 3.47Å; F193-I234 VanDerWaalsContact CE1-CG2 3.47Å; F193-I234 HydrophobicContact CE2-CD1 4.07Å; F193-I234 HydrophobicContact CG-CD1 3.37Å; F193-I234 HydrophobicContact CG-CG1 4.06Å; F193-I234 HydrophobicContact CZ-CD1 4.03Å; F193-I234 HydrophobicContact CZ-CG2 4.08Å; F193-M236 HydrophobicContact CB-CE 4.18Å; F193-A283 HydrophobicContact CB-CB 4.29Å; F193-E285 HydrophobicContact CD1-CB 3.58Å; F193-E285 HydrophobicContact CE1-CB 3.45Å; F193-E285 VanDerWaalsContact CE1-CB 3.45Å; F193-E285 HydrophobicContact CE1-CG 4.37Å; F193-E285 HydrophobicContact CG-CB 4.5Å; F193-E285 HydrophobicContact CZ-CB 4.29Å
194	I	92.9	Very high	74.8	Confident	4 Å²	4	69.5 Å²	69.5	2%	0.021	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	113.4	178.2	-51.9	174.8	0	0	0	108.2	Q181 F221 L225 A227 A283 V284	Q181-I194 HydrophobicContact CB-CD1 4.42Å; Q181-I194 HydrophobicContact CG-CD1 4.2Å; I194-F221 HydrophobicContact CB-CE1 4.06Å; I194-F221 HydrophobicContact CB-CZ 4.33Å; I194-F221 HydrophobicContact CG2-CE1 3.99Å; I194-F221 HydrophobicContact CG2-CZ 3.77Å; I194-L225 HydrophobicContact CD1-CD1 4.25Å; I194-L225 HydrophobicContact CG2-CD1 3.9Å; I194-A227 HydrophobicContact CD1-CB 4.07Å; I194-A283 CarbonylContact O-C 3.53Å; I194-A283 VanDerWaalsContact O-CA 3.29Å; I194-A283 WeakPolarHBondContact O-CA 2.99Å; I194-V284 PolarHBondContact N-O 3.05Å; I194-V284 PolarHBondContact O-N 3.04Å
195	P	94.5	Very high	77.2	Confident	2 Å²	2	70.5 Å²	70.5	1%	0.013	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	138.8	176.5	27.9	-33.6	0	0	0	110.5	S179 L182 L197 T241	S179-P195 WeakPolarHBondContact CB-O 3.17Å; S179-P195 PolarHBondContact OG-O 2.93Å; L182-P195 HydrophobicContact CD1-CG 3.71Å; P195-L197 HydrophobicContact CB-CD2 4.16Å; P195-L197 HydrophobicContact CB-CG 4.28Å; P195-L197 HydrophobicContact CG-CD1 4.39Å; P195-L197 HydrophobicContact CG-CG 4.27Å; P195-L197 PolarHBondContact O-N 2.84Å; P195-L197 VanDerWaalsContact O-N 3.15Å; P195-T241 HydrophobicContact CB-CG2 3.89Å
196	V	96	Very high	79.8	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.006	35%	0.348	C	S	.	.			trans	-83	95	179.1	-172.2	0	0	0	0	109.3	V208 F213 F221 L262 A282 V284	V196-V208 HydrophobicContact CB-CB 4.42Å; V196-V208 HydrophobicContact CB-CG2 4.31Å; V196-V208 HydrophobicContact CG1-CB 4.18Å; V196-V208 HydrophobicContact CG1-CG2 3.64Å; V196-V208 PolarHBondContact O-N 2.91Å; V196-F213 HydrophobicContact CG1-CE2 4.02Å; V196-F213 HydrophobicContact CG1-CZ 4.4Å; V196-F213 HydrophobicContact CG2-CE1 4.2Å; V196-F213 HydrophobicContact CG2-CE2 4.15Å; V196-F213 HydrophobicContact CG2-CZ 3.88Å; V196-F221 HydrophobicContact CB-CE2 4.35Å; V196-F221 HydrophobicContact CB-CZ 4.39Å; V196-F221 HydrophobicContact CG1-CD2 4.21Å; V196-F221 HydrophobicContact CG1-CE2 4.03Å; V196-F221 HydrophobicContact CG2-CD1 4.28Å; V196-F221 HydrophobicContact CG2-CD2 4.41Å; V196-F221 HydrophobicContact CG2-CE1 4.01Å; V196-F221 HydrophobicContact CG2-CE2 4.14Å; V196-F221 HydrophobicContact CG2-CG 4.45Å; V196-F221 HydrophobicContact CG2-CZ 3.92Å; V196-L262 HydrophobicContact CG1-CD1 4.12Å; V196-A282 HydrophobicContact CB-CB 4.24Å; V196-A282 HydrophobicContact CG2-CB 3.99Å; V196-A282 PolarHBondContact N-O 3.08Å; V196-V284 HydrophobicContact CG2-CG2 3.97Å
197	L	95.7	Very high	82.3	Confident	17 Å²	17	56.9 Å²	56.9	9%	0.089	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	133.9	-179.1	-54.4	-173.4	0	0	0	111.6	I178 S179 P195 T207 I243	I178-L197 HydrophobicContact CD1-CB 4.35Å; I178-L197 HydrophobicContact CG1-CB 3.78Å; I178-L197 PolarHBondContact N-O 3.33Å; S179-L197 PolarHBondContact N-O 3.46Å; S179-L197 PolarHBondContact OG-N 3.32Å; S179-L197 PolarHBondContact OG-O 3.49Å; P195-L197 HydrophobicContact CB-CD2 4.16Å; P195-L197 HydrophobicContact CB-CG 4.28Å; P195-L197 HydrophobicContact CG-CD1 4.39Å; P195-L197 HydrophobicContact CG-CG 4.27Å; P195-L197 PolarHBondContact O-N 2.84Å; P195-L197 VanDerWaalsContact O-N 3.15Å; L197-T207 HydrophobicContact CD2-CG2 3.79Å; L197-I243 HydrophobicContact CD1-CD1 4.35Å; L197-I243 HydrophobicContact CD1-CG1 4.35Å; L197-I243 HydrophobicContact CD2-CD1 4.26Å; L197-I243 HydrophobicContact CD2-CG1 3.57Å
198	I	96.1	Very high	85	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	154.7	177.2	67.1	159.6	0	0	0	112.1	F175 K176 K205 G206 V208 I249 A250 I269	F175-I198 HydrophobicContact CB-CB 4.31Å; F175-I198 HydrophobicContact CB-CD1 4.01Å; F175-I198 HydrophobicContact CD2-CB 3.69Å; F175-I198 HydrophobicContact CD2-CD1 4.11Å; F175-I198 HydrophobicContact CD2-CG2 3.42Å; F175-I198 VanDerWaalsContact CD2-CG2 3.42Å; F175-I198 HydrophobicContact CE2-CB 4.42Å; F175-I198 HydrophobicContact CE2-CG2 3.65Å; F175-I198 HydrophobicContact CG-CB 4.34Å; F175-I198 HydrophobicContact CG-CD1 4.07Å; F175-I198 HydrophobicContact CG-CG2 4.41Å; K176-I198 CarbonylContact O-C 3.54Å; K176-I198 VanDerWaalsContact O-CA 3.27Å; K176-I198 WeakPolarHBondContact O-CA 3.47Å; I198-K205 WeakPolarHBondContact O-CA 3.32Å; I198-G206 PolarHBondContact N-O 3.01Å; I198-G206 PolarHBondContact O-N 3.16Å; I198-V208 HydrophobicContact CG2-CG2 4.13Å; I198-I249 HydrophobicContact CD1-CD1 4.22Å; I198-I249 HydrophobicContact CD1-CG1 4.12Å; I198-I249 HydrophobicContact CG1-CD1 4.16Å; I198-I249 HydrophobicContact CG1-CG1 4.22Å; I198-A250 HydrophobicContact CD1-CB 3.43Å; I198-A250 VanDerWaalsContact CD1-CB 3.43Å; I198-A250 HydrophobicContact CG1-CB 4.44Å; I198-I269 HydrophobicContact CD1-CD1 4.16Å; I198-I269 HydrophobicContact CD1-CG1 4.36Å
199	E	95.7	Very high	87.2	Confident	36 Å²	36	44 Å²	44	17%	0.168	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	125.7	170.7	-177.1	171.6	-139.6	0	0	109.5	F175 K176 I178 T204 K205	F175-E199 CarbonylContact C-O 3.59Å; F175-E199 VanDerWaalsContact CA-O 3.3Å; F175-E199 WeakPolarHBondContact CA-O 3.11Å; K176-E199 WeakPolarHBondContact CE-OE2 3.41Å; K176-E199 HydrophobicContact CG-CB 4.2Å; K176-E199 PolarHBondContact N-O 3.17Å; K176-E199 IonicContact NZ-OE2 2.72Å; K176-E199 PolarHBondContact NZ-OE2 3.4Å; K176-E199 PolarHBondContact O-N 3.23Å; I178-E199 HydrophobicContact CD1-CB 4.14Å; I178-E199 HydrophobicContact CG1-CB 4.37Å; I178-E199 HydrophobicContact CG2-CB 3.56Å; E199-T204 WeakPolarHBondContact CA-O 3.38Å; E199-K205 HydrophobicContact CB-CG 4.19Å; E199-K205 HydrophobicContact CG-CG 4.01Å; E199-K205 WeakPolarHBondContact OE1-CE 3.45Å
200	T	95.1	Very high	89.4	Confident	5 Å²	5	35.8 Å²	35.8	3%	0.031	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	166.9	175.2	54.1	0	0	0	0	111.3	I173 N202 G203 T204 I249 I269 Y271	I173-T200 HydrophobicContact CG2-CG2 4.15Å; T200-N202 WeakPolarHBondContact CB-OD1 3.35Å; T200-N202 PolarHBondContact O-N 3.44Å; T200-N202 VanDerWaalsContact O-N 3.17Å; T200-N202 PolarHBondContact OG1-OD1 3.19Å; T200-G203 PolarHBondContact O-N 2.79Å; T200-T204 PolarHBondContact N-O 3.24Å; T200-T204 VanDerWaalsContact OG1-CB 3.22Å; T200-T204 WeakPolarHBondContact OG1-CB 3.3Å; T200-T204 PolarHBondContact OG1-N 3.47Å; T200-T204 PolarHBondContact OG1-O 2.66Å; T200-T204 VanDerWaalsContact OG1-O 3.04Å; T200-I249 HydrophobicContact CG2-CD1 4.38Å; T200-I269 HydrophobicContact CG2-CG2 3.79Å; T200-Y271 HydrophobicContact CG2-CD1 4.2Å; T200-Y271 HydrophobicContact CG2-CE1 3.95Å
201	K	91.4	Very high	91.3	Very high	170 Å²	170	35.3 Å²	35.3	74%	0.739	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-27.2	180	-74.1	-169	169.4	-167.2	0	115.3	K174 G203	K174-K201 HydrophobicContact CB-CD 4.34Å; K174-K201 HydrophobicContact CB-CG 4.4Å; K174-K201 PolarHBondContact O-N 3.37Å; K201-G203 VanDerWaalsContact C-N 3.28Å
202	N	92	Very high	92.6	Very high	95 Å²	95	33.2 Å²	33.2	51%	0.508	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	4.4	176.4	67.7	-21.1	0	0	0	113.2	T200 T204 Y271	T200-N202 WeakPolarHBondContact CB-OD1 3.35Å; T200-N202 PolarHBondContact O-N 3.44Å; T200-N202 VanDerWaalsContact O-N 3.17Å; T200-N202 PolarHBondContact OG1-OD1 3.19Å; N202-T204 PolarHBondContact ND2-OG1 2.71Å; N202-T204 PolarHBondContact OD1-N 3.15Å; N202-T204 PolarHBondContact OD1-OG1 3.37Å; N202-T204 VanDerWaalsContact OD1-OG1 3.14Å; N202-Y271 VanDerWaalsContact ND2-CD1 3.29Å; N202-Y271 WeakPolarHBondContact ND2-CD1 3.38Å; N202-Y271 WeakPolarHBondContact ND2-CE1 3.4Å; N202-Y271 VanDerWaalsContact OD1-CE1 3.29Å; N202-Y271 WeakPolarHBondContact OD1-CE1 3.23Å
203	G	92.3	Very high	93.5	Very high	41 Å²	41	30.3 Å²	30.3	42%	0.423	16%	0.158	S	C	.	.			trans	85.7	4.7	179.3	0	0	0	0	0	114.8	T200 K201 K205	T200-G203 PolarHBondContact O-N 2.79Å; K201-G203 VanDerWaalsContact C-N 3.28Å; G203-K205 PolarHBondContact O-N 2.87Å
204	T	94.6	Very high	93.7	Very high	37 Å²	37	31.3 Å²	31.3	23%	0.227	16%	0.163	C	C	.	.			trans	-66.4	119.3	171.7	-51.8	0	0	0	0	109	E199 T200 N202 I249	E199-T204 WeakPolarHBondContact CA-O 3.38Å; T200-T204 PolarHBondContact N-O 3.24Å; T200-T204 VanDerWaalsContact OG1-CB 3.22Å; T200-T204 WeakPolarHBondContact OG1-CB 3.3Å; T200-T204 PolarHBondContact OG1-N 3.47Å; T200-T204 PolarHBondContact OG1-O 2.66Å; T200-T204 VanDerWaalsContact OG1-O 3.04Å; N202-T204 PolarHBondContact ND2-OG1 2.71Å; N202-T204 PolarHBondContact OD1-N 3.15Å; N202-T204 PolarHBondContact OD1-OG1 3.37Å; N202-T204 VanDerWaalsContact OD1-OG1 3.14Å; T204-I249 HydrophobicContact CG2-CD1 4.09Å
205	K	94.9	Very high	93.7	Very high	106 Å²	106	31.3 Å²	31.3	46%	0.461	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	141.2	174	-62.1	-179.8	-179.2	178.4	0	109.3	I178 I198 E199 G203 I243	I178-K205 HydrophobicContact CD1-CB 4.18Å; I178-K205 HydrophobicContact CD1-CD 3.77Å; I178-K205 HydrophobicContact CD1-CG 3.83Å; I198-K205 WeakPolarHBondContact O-CA 3.32Å; E199-K205 HydrophobicContact CB-CG 4.19Å; E199-K205 HydrophobicContact CG-CG 4.01Å; E199-K205 WeakPolarHBondContact OE1-CE 3.45Å; G203-K205 PolarHBondContact O-N 2.87Å; K205-I243 HydrophobicContact CB-CD1 4.08Å
206	G	95.5	Very high	93.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	177.7	178	0	0	0	0	0	113.6	I198	I198-G206 PolarHBondContact N-O 3.01Å; I198-G206 PolarHBondContact O-N 3.16Å
207	T	96	Very high	93.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	167.4	179.4	58	0	0	0	0	111.4	L197 I238 T241 I243 P248 I249 A250 A281	L197-T207 HydrophobicContact CD2-CG2 3.79Å; T207-I238 HydrophobicContact CG2-CG2 4.2Å; T207-T241 HydrophobicContact CG2-CG2 4Å; T207-I243 HydrophobicContact CG2-CB 4.22Å; T207-I243 HydrophobicContact CG2-CG1 4.1Å; T207-P248 WeakPolarHBondContact O-CA 3.11Å; T207-P248 WeakPolarHBondContact O-CB 3.47Å; T207-P248 VanDerWaalsContact OG1-CA 3.3Å; T207-P248 WeakPolarHBondContact OG1-CA 3.25Å; T207-P248 WeakPolarHBondContact OG1-CB 3.17Å; T207-I249 PolarHBondContact O-N 2.64Å; T207-A250 PolarHBondContact O-N 3.11Å; T207-A281 HydrophobicContact CG2-CB 3.75Å
208	V	96	Very high	93.6	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-100.9	139.5	173.1	-178.7	0	0	0	0	109.9	V196 I198 S210 F213 A250 L252 A281 A282	V196-V208 HydrophobicContact CB-CB 4.42Å; V196-V208 HydrophobicContact CB-CG2 4.31Å; V196-V208 HydrophobicContact CG1-CB 4.18Å; V196-V208 HydrophobicContact CG1-CG2 3.64Å; V196-V208 PolarHBondContact O-N 2.91Å; I198-V208 HydrophobicContact CG2-CG2 4.13Å; V208-S210 PolarHBondContact O-N 3.45Å; V208-F213 HydrophobicContact CG1-CD2 3.95Å; V208-A250 CarbonylContact C-O 3.55Å; V208-A250 WeakPolarHBondContact CA-O 3.41Å; V208-A250 HydrophobicContact CG2-CB 4.15Å; V208-L252 HydrophobicContact CG1-CB 4.24Å; V208-L252 HydrophobicContact CG1-CD2 3.87Å; V208-L252 HydrophobicContact CG1-CG 4.05Å; V208-L252 HydrophobicContact CG2-CD2 4.06Å; V208-A281 CarbonylContact O-C 3.5Å; V208-A281 WeakPolarHBondContact O-CA 3.26Å; V208-A282 HydrophobicContact CB-CB 4.46Å; V208-A282 PolarHBondContact O-N 2.84Å
209	C	94.4	Very high	93.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-56.2	125.4	174.3	-63.9	0	0	0	0	110.6	D211 A250 I251 C276	C209-D211 VanDerWaalsContact C-N 3.28Å; C209-D211 PolarHBondContact O-N 3.38Å; C209-A250 PolarHBondContact N-O 3.21Å; C209-I251 HydrophobicContact CB-CG1 4.06Å; C209-I251 WeakPolarHBondContact SG-CG1 3.34Å; C209-C276 HydrophobicContact CB-CB 3.69Å; C209-C276 WeakPolarHBondContact CB-SG 3.09Å; C209-C276 WeakPolarHBondContact SG-CB 3.19Å; C209-C276 CovalentContact SG-SG 2.03Å; C209-C276 PolarHBondContact SG-SG 3.32Å
210	S	93.9	Very high	93.6	Very high	15 Å²	15	29.6 Å²	29.6	11%	0.105	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-69.2	-25	176.6	55.7	0	0	0	0	113.9	V208 H212 F213 S278 L280	V208-S210 PolarHBondContact O-N 3.45Å; S210-H212 PolarHBondContact O-N 2.73Å; S210-F213 PolarHBondContact O-N 2.94Å; S210-S278 PolarHBondContact OG-OG 3.11Å; S210-L280 PolarHBondContact N-O 2.94Å; S210-L280 WeakPolarHBondContact OG-CB 3.43Å; S210-L280 PolarHBondContact OG-O 3.41Å
211	D	89.3	Confident	93.7	Very high	40 Å²	40	29.4 Å²	29.4	21%	0.214	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-63.9	-14.7	-174.6	-52.2	-48.6	0	0	0	113.9	C209 C276 Q277 S278	C209-D211 VanDerWaalsContact C-N 3.28Å; C209-D211 PolarHBondContact O-N 3.38Å; D211-C276 WeakPolarHBondContact OD2-CB 3.46Å; D211-Q277 WeakPolarHBondContact OD2-CA 3.36Å; D211-Q277 PolarHBondContact OD2-N 2.6Å; D211-S278 VanDerWaalsContact CG-OG 3.26Å; D211-S278 WeakPolarHBondContact OD1-CB 3.28Å; D211-S278 PolarHBondContact OD1-N 3.37Å; D211-S278 PolarHBondContact OD1-OG 2.79Å; D211-S278 PolarHBondContact OD2-N 3.02Å; D211-S278 PolarHBondContact OD2-OG 3.31Å
212	H	87.5	Confident	93.8	Very high	22 Å²	22	21.3 Å²	21.3	10%	0.102	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-137.3	18.3	-170.2	-62	-56.2	0	0	0	112.3	L158 S210 I251	L158-H212 VanDerWaalsContact CA-CE1 3.46Å; L158-H212 WeakPolarHBondContact CA-CE1 3.3Å; L158-H212 HydrophobicContact CD2-CB 3.31Å; L158-H212 VanDerWaalsContact CD2-ND1 3.25Å; L158-H212 WeakPolarHBondContact CD2-ND1 3.43Å; L158-H212 PolarHBondContact O-CE1 3.27Å; L158-H212 VanDerWaalsContact O-CE1 3.22Å; S210-H212 PolarHBondContact O-N 2.73Å; H212-I251 HydrophobicContact CB-CG2 3.69Å
213	F	92.9	Very high	93.9	Very high	4 Å²	4	21.9 Å²	21.9	2%	0.018	12%	0.118	C	C	.	.			trans	-114.2	111.7	176.9	-166	-80.7	0	0	0	107.1	V196 V208 S210 E217 A218 F221 V233 L252 L262 A282 V284	V196-F213 HydrophobicContact CG1-CE2 4.02Å; V196-F213 HydrophobicContact CG1-CZ 4.4Å; V196-F213 HydrophobicContact CG2-CE1 4.2Å; V196-F213 HydrophobicContact CG2-CE2 4.15Å; V196-F213 HydrophobicContact CG2-CZ 3.88Å; V208-F213 HydrophobicContact CG1-CD2 3.95Å; S210-F213 PolarHBondContact O-N 2.94Å; F213-E217 HydrophobicContact CD1-CB 4.14Å; F213-E217 HydrophobicContact CD2-CB 3.81Å; F213-E217 HydrophobicContact CD2-CG 4.22Å; F213-E217 HydrophobicContact CE1-CB 3.85Å; F213-E217 HydrophobicContact CE2-CB 3.52Å; F213-E217 HydrophobicContact CE2-CG 4.28Å; F213-E217 HydrophobicContact CG-CB 4.12Å; F213-E217 HydrophobicContact CZ-CB 3.53Å; F213-A218 HydrophobicContact CE1-CB 4.14Å; F213-F221 HydrophobicContact CZ-CB 4.1Å; F213-F221 HydrophobicContact CZ-CG 4.48Å; F213-V233 HydrophobicContact CD1-CG1 3.88Å; F213-V233 HydrophobicContact CD1-CG2 3.85Å; F213-V233 HydrophobicContact CE1-CG2 4.14Å; F213-V233 WeakPolarHBondContact O-CG1 3.46Å; F213-L252 HydrophobicContact CD2-CB 4.14Å; F213-L252 HydrophobicContact CD2-CG 4.17Å; F213-L252 HydrophobicContact CE2-CG 4.24Å; F213-L262 HydrophobicContact CE2-CD1 4.24Å; F213-A282 HydrophobicContact CB-CB 3.7Å; F213-A282 HydrophobicContact CD1-CB 4.03Å; F213-A282 HydrophobicContact CD2-CB 4.21Å; F213-A282 HydrophobicContact CG-CB 3.71Å; F213-V284 HydrophobicContact CD1-CG2 4.44Å; F213-V284 HydrophobicContact CE1-CG2 3.61Å; F213-V284 HydrophobicContact CZ-CG2 4.27Å
214	H	91.8	Very high	94	Very high	63 Å²	63	22.4 Å²	22.4	29%	0.292	11%	0.109	S	C	.	.			trans	-115.3	-175.1	-174	-55.8	-76.3	0	0	0	111.2	A216 E217 A218 F471	H214-A216 PolarHBondContact O-N 3.16Å; H214-E217 VanDerWaalsContact CA-OE2 3.3Å; H214-E217 WeakPolarHBondContact CA-OE2 3.08Å; H214-E217 WeakPolarHBondContact CB-OE2 3.01Å; H214-E217 PolarHBondContact N-OE2 3.37Å; H214-E217 PolarHBondContact O-N 2.97Å; H214-A218 PolarHBondContact O-N 2.86Å; H214-F471 HydrophobicContact CB-CB 3.81Å
215	A	93	Very high	93.9	Very high	4 Å²	4	23 Å²	23	3%	0.033	11%	0.11	C	C	.	.	H	α-helix	trans	-61.5	-30.9	-178.2	0	0	0	0	0	113.4	A218 I219 F471 P474 F478	A215-A218 WeakPolarHBondContact O-CB 3.33Å; A215-A218 PolarHBondContact O-N 2.86Å; A215-I219 WeakPolarHBondContact O-CG1 3.42Å; A215-I219 PolarHBondContact O-N 3.18Å; A215-F471 HydrophobicContact CB-CB 4.36Å; A215-F471 WeakPolarHBondContact CB-O 3.38Å; A215-F471 PolarHBondContact N-O 2.9Å; A215-P474 HydrophobicContact CB-CB 4.03Å; A215-F478 HydrophobicContact CB-CE2 3.76Å; A215-F478 HydrophobicContact CB-CZ 3.63Å
216	A	93.2	Very high	93.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63.5	-43	176.7	0	0	0	0	0	111.8	H214 A218 I219 F471 F478	H214-A216 PolarHBondContact O-N 3.16Å; A216-A218 VanDerWaalsContact C-N 3.33Å; A216-I219 PolarHBondContact O-N 3.31Å; A216-F471 HydrophobicContact CB-CD1 4.19Å; A216-F471 HydrophobicContact CB-CE1 4.31Å; A216-F478 HydrophobicContact CB-CD2 4.22Å; A216-F478 HydrophobicContact CB-CE2 4.47Å
217	E	95	Very high	93.4	Very high	6 Å²	6	26.2 Å²	26.2	3%	0.028	14%	0.136	C	C	.	.	H	α-helix	trans	-67.9	-35.8	173.8	-63.5	61.1	-129.2	0	0	111.3	F213 H214 I219 V220 F221 L252 Y254 C255 L262	F213-E217 HydrophobicContact CD1-CB 4.14Å; F213-E217 HydrophobicContact CD2-CB 3.81Å; F213-E217 HydrophobicContact CD2-CG 4.22Å; F213-E217 HydrophobicContact CE1-CB 3.85Å; F213-E217 HydrophobicContact CE2-CB 3.52Å; F213-E217 HydrophobicContact CE2-CG 4.28Å; F213-E217 HydrophobicContact CG-CB 4.12Å; F213-E217 HydrophobicContact CZ-CB 3.53Å; H214-E217 VanDerWaalsContact CA-OE2 3.3Å; H214-E217 WeakPolarHBondContact CA-OE2 3.08Å; H214-E217 WeakPolarHBondContact CB-OE2 3.01Å; H214-E217 PolarHBondContact N-OE2 3.37Å; H214-E217 PolarHBondContact O-N 2.97Å; E217-I219 VanDerWaalsContact C-N 3.33Å; E217-I219 PolarHBondContact O-N 3.49Å; E217-V220 PolarHBondContact O-N 2.94Å; E217-F221 WeakPolarHBondContact O-CB 3.38Å; E217-F221 PolarHBondContact O-N 3.18Å; E217-L252 HydrophobicContact CG-CB 4.1Å; E217-Y254 VanDerWaalsContact OE1-CA 3.25Å; E217-Y254 WeakPolarHBondContact OE1-CA 3.35Å; E217-C255 HydrophobicContact CG-CB 4.38Å; E217-C255 PolarHBondContact OE1-N 3.46Å; E217-L262 HydrophobicContact CB-CD2 4.45Å
218	A	95.6	Very high	93.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.3	-36.9	177.6	0	0	0	0	0	112.8	F213 H214 A215 A216 F221 C222 V233 V284	F213-A218 HydrophobicContact CE1-CB 4.14Å; H214-A218 PolarHBondContact O-N 2.86Å; A215-A218 WeakPolarHBondContact O-CB 3.33Å; A215-A218 PolarHBondContact O-N 2.86Å; A216-A218 VanDerWaalsContact C-N 3.33Å; A218-F221 PolarHBondContact O-N 1.99Å; A218-C222 WeakPolarHBondContact O-CB 3.22Å; A218-C222 PolarHBondContact O-N 3.04Å; A218-C222 PolarHBondContact O-SG 2.86Å; A218-V233 HydrophobicContact CB-CG2 3.8Å; A218-V284 HydrophobicContact CB-CG1 3.81Å; A218-V284 HydrophobicContact CB-CG2 4.26Å
219	I	95.4	Very high	93	Very high	14 Å²	14	33.7 Å²	33.7	7%	0.072	17%	0.167	C	C	.	.	H	α-helix	trans	-55.1	-54.7	172.6	-68.8	168.6	0	0	0	110.1	A215 A216 E217 F221 C222 H223 R229 G257 E475 F478	A215-I219 WeakPolarHBondContact O-CG1 3.42Å; A215-I219 PolarHBondContact O-N 3.18Å; A216-I219 PolarHBondContact O-N 3.31Å; E217-I219 VanDerWaalsContact C-N 3.33Å; E217-I219 PolarHBondContact O-N 3.49Å; I219-F221 VanDerWaalsContact C-N 3.34Å; I219-F221 PolarHBondContact O-N 3.48Å; I219-C222 PolarHBondContact O-N 2.83Å; I219-H223 VanDerWaalsContact O-CB 3.29Å; I219-H223 WeakPolarHBondContact O-CB 3.13Å; I219-H223 PolarHBondContact O-N 2.93Å; I219-R229 WeakPolarHBondContact CG2-O 3.36Å; I219-G257 WeakPolarHBondContact CG2-O 2.93Å; I219-E475 WeakPolarHBondContact CD1-O 3.34Å; I219-F478 HydrophobicContact CD1-CD2 3.58Å; I219-F478 HydrophobicContact CD1-CE2 3.66Å
220	V	96.4	Very high	92.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.7	-42.7	-178.4	-179.3	0	0	0	0	111	E217 Q224 C255 E259 L262	E217-V220 PolarHBondContact O-N 2.94Å; V220-Q224 VanDerWaalsContact O-CB 3.26Å; V220-Q224 WeakPolarHBondContact O-CB 3.01Å; V220-Q224 PolarHBondContact O-N 2.84Å; V220-C255 HydrophobicContact CG2-CB 3.84Å; V220-E259 HydrophobicContact CG1-CB 3.97Å; V220-E259 HydrophobicContact CG2-CB 3.94Å; V220-E259 WeakPolarHBondContact CG2-OE2 3.08Å; V220-L262 HydrophobicContact CB-CD2 3.87Å; V220-L262 HydrophobicContact CG1-CD2 3.84Å; V220-L262 HydrophobicContact CG1-CG 4.25Å
221	F	96.2	Very high	92.8	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.9	-50.9	178.8	179.1	-112.9	0	0	0	112.8	V177 S179 I194 V196 F213 E217 A218 I219 H223 Q224 L225 L262 V284	V177-F221 HydrophobicContact CG1-CD2 4.25Å; V177-F221 HydrophobicContact CG1-CE2 3.8Å; S179-F221 WeakPolarHBondContact OG-CE2 3.04Å; I194-F221 HydrophobicContact CB-CE1 4.06Å; I194-F221 HydrophobicContact CB-CZ 4.33Å; I194-F221 HydrophobicContact CG2-CE1 3.99Å; I194-F221 HydrophobicContact CG2-CZ 3.77Å; V196-F221 HydrophobicContact CB-CE2 4.35Å; V196-F221 HydrophobicContact CB-CZ 4.39Å; V196-F221 HydrophobicContact CG1-CD2 4.21Å; V196-F221 HydrophobicContact CG1-CE2 4.03Å; V196-F221 HydrophobicContact CG2-CD1 4.28Å; V196-F221 HydrophobicContact CG2-CD2 4.41Å; V196-F221 HydrophobicContact CG2-CE1 4.01Å; V196-F221 HydrophobicContact CG2-CE2 4.14Å; V196-F221 HydrophobicContact CG2-CG 4.45Å; V196-F221 HydrophobicContact CG2-CZ 3.92Å; F213-F221 HydrophobicContact CZ-CB 4.1Å; F213-F221 HydrophobicContact CZ-CG 4.48Å; E217-F221 WeakPolarHBondContact O-CB 3.38Å; E217-F221 PolarHBondContact O-N 3.18Å; A218-F221 PolarHBondContact O-N 1.99Å; I219-F221 VanDerWaalsContact C-N 3.34Å; I219-F221 PolarHBondContact O-N 3.48Å; F221-H223 VanDerWaalsContact C-N 3.32Å; F221-H223 PolarHBondContact O-N 2.98Å; F221-Q224 PolarHBondContact O-N 2.86Å; F221-L225 HydrophobicContact CD1-CD1 4.43Å; F221-L225 HydrophobicContact CD2-CD1 4.35Å; F221-L225 HydrophobicContact CE1-CD1 3.84Å; F221-L225 HydrophobicContact CE2-CD1 3.76Å; F221-L225 HydrophobicContact CE2-CG 4.35Å; F221-L225 HydrophobicContact CZ-CD1 3.49Å; F221-L225 VanDerWaalsContact CZ-CD1 3.49Å; F221-L225 WeakPolarHBondContact O-CG 2.97Å; F221-L225 PolarHBondContact O-N 3.39Å; F221-L225 VanDerWaalsContact O-N 3.14Å; F221-L262 HydrophobicContact CB-CD1 4.01Å; F221-L262 HydrophobicContact CB-CD2 4.3Å; F221-L262 HydrophobicContact CB-CG 4.26Å; F221-L262 HydrophobicContact CD2-CD1 3.67Å; F221-L262 HydrophobicContact CG-CD1 4.26Å; F221-V284 HydrophobicContact CD1-CB 3.87Å; F221-V284 HydrophobicContact CD1-CG1 4.47Å; F221-V284 HydrophobicContact CD1-CG2 3.65Å; F221-V284 HydrophobicContact CE1-CB 3.99Å; F221-V284 HydrophobicContact CE1-CG2 3.96Å
222	C	94.5	Very high	92.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.4	-38.6	-179.7	-67.4	0	0	0	0	111.8	A218 I219 L225 N226 A227 G228 V284 C286	A218-C222 WeakPolarHBondContact O-CB 3.22Å; A218-C222 PolarHBondContact O-N 3.04Å; A218-C222 PolarHBondContact O-SG 2.86Å; I219-C222 PolarHBondContact O-N 2.83Å; C222-L225 PolarHBondContact O-N 2.91Å; C222-N226 PolarHBondContact O-N 2.81Å; C222-A227 PolarHBondContact O-N 3.09Å; C222-G228 CarbonylContact C-O 3.52Å; C222-V284 VanDerWaalsContact SG-CG1 3.56Å; C222-C286 WeakPolarHBondContact CA-SG 3.33Å; C222-C286 HydrophobicContact CB-CB 3.75Å; C222-C286 WeakPolarHBondContact CB-SG 3.33Å; C222-C286 WeakPolarHBondContact SG-CA 3.48Å; C222-C286 WeakPolarHBondContact SG-CB 3.43Å; C222-C286 CovalentContact SG-SG 2.04Å; C222-C286 PolarHBondContact SG-SG 2.97Å
223	H	93.1	Very high	93.2	Very high	108 Å²	108	37.5 Å²	37.5	50%	0.5	18%	0.18	S	C	.	.	H	α-helix	trans	-65.3	-45.2	175.5	-177.5	-139	0	0	0	111.8	I219 F221 L225 N226	I219-H223 VanDerWaalsContact O-CB 3.29Å; I219-H223 WeakPolarHBondContact O-CB 3.13Å; I219-H223 PolarHBondContact O-N 2.93Å; F221-H223 VanDerWaalsContact C-N 3.32Å; F221-H223 PolarHBondContact O-N 2.98Å; H223-L225 PolarHBondContact O-N 2.78Å; H223-N226 PolarHBondContact O-N 2.57Å
224	Q	94.6	Very high	93.1	Very high	51 Å²	51	39.2 Å²	39.2	24%	0.238	19%	0.189	C	C	.	.	H	α-helix	trans	-59.4	-33.6	177.9	-175.8	175.9	3.3	0	0	112.7	V220 F221 D261	V220-Q224 VanDerWaalsContact O-CB 3.26Å; V220-Q224 WeakPolarHBondContact O-CB 3.01Å; V220-Q224 PolarHBondContact O-N 2.84Å; F221-Q224 PolarHBondContact O-N 2.86Å; Q224-D261 PolarHBondContact NE2-OD1 3.03Å
225	L	92.5	Very high	93.2	Very high	49 Å²	49	38.8 Å²	38.8	26%	0.257	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-2.5	176.5	-62.7	-175.8	0	0	0	114	V177 S179 I194 F221 C222 H223 A227	V177-L225 HydrophobicContact CG1-CD2 4.29Å; S179-L225 WeakPolarHBondContact O-CD2 3.47Å; I194-L225 HydrophobicContact CD1-CD1 4.25Å; I194-L225 HydrophobicContact CG2-CD1 3.9Å; F221-L225 HydrophobicContact CD1-CD1 4.43Å; F221-L225 HydrophobicContact CD2-CD1 4.35Å; F221-L225 HydrophobicContact CE1-CD1 3.84Å; F221-L225 HydrophobicContact CE2-CD1 3.76Å; F221-L225 HydrophobicContact CE2-CG 4.35Å; F221-L225 HydrophobicContact CZ-CD1 3.49Å; F221-L225 VanDerWaalsContact CZ-CD1 3.49Å; F221-L225 WeakPolarHBondContact O-CG 2.97Å; F221-L225 PolarHBondContact O-N 3.39Å; F221-L225 VanDerWaalsContact O-N 3.14Å; C222-L225 PolarHBondContact O-N 2.91Å; H223-L225 PolarHBondContact O-N 2.78Å; L225-A227 HydrophobicContact CB-CB 3.99Å; L225-A227 PolarHBondContact O-N 3.46Å
226	N	90.8	Very high	93.1	Very high	152 Å²	152	39.4 Å²	39.4	81%	0.813	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	37.1	-169.7	-166.8	41	0	0	0	112.5	C222 H223	C222-N226 PolarHBondContact O-N 2.81Å; H223-N226 PolarHBondContact O-N 2.57Å
227	A	90.2	Very high	93.1	Very high	22 Å²	22	41.5 Å²	41.5	18%	0.182	21%	0.212	C	C	.	.	S	Bend	trans	-106.8	1.9	-174.3	0	0	0	0	0	113.2	I194 C222 L225 C286	I194-A227 HydrophobicContact CD1-CB 4.07Å; C222-A227 PolarHBondContact O-N 3.09Å; L225-A227 HydrophobicContact CB-CB 3.99Å; L225-A227 PolarHBondContact O-N 3.46Å; A227-C286 HydrophobicContact CB-CB 4.01Å; A227-C286 WeakPolarHBondContact O-CB 3.19Å
228	G	90.5	Very high	92.9	Very high	11 Å²	11	41.6 Å²	41.6	11%	0.113	21%	0.213	C	C	.	.			trans	152.3	-170.4	-179.9	0	0	0	0	0	112.5	C222 T287 N288	C222-G228 CarbonylContact C-O 3.52Å; G228-T287 WeakPolarHBondContact CA-O 3.23Å; G228-N288 WeakPolarHBondContact CA-OD1 3.17Å
229	R	91.6	Very high	92.6	Very high	146 Å²	146	49.2 Å²	49.2	55%	0.551	25%	0.249	S	C	*	.	S	Bend	trans	-94.3	-15.4	175.8	-67.5	-174.6	177.4	-173.7	-1.2	113.5	I219 T287 L290	I219-R229 WeakPolarHBondContact CG2-O 3.36Å; R229-T287 PolarHBondContact N-O 3.28Å; R229-L290 HydrophobicContact CB-CD1 4.23Å
230	G	93.4	Very high	92.3	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.2	-165.4	-175.8	0	0	0	0	0	108.6	C286 T287	G230-C286 CarbonylContact O-C 3.38Å; G230-C286 WeakPolarHBondContact O-CA 3.49Å; G230-T287 PolarHBondContact O-N 3.42Å
231	G	91.9	Very high	91.9	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.2	175	-177	0	0	0	0	0	115.9	E285 P474	G231-E285 CarbonylContact C-O 3.56Å; G231-E285 WeakPolarHBondContact CA-O 3.48Å; G231-P474 VanDerWaalsContact O-CB 3.3Å; G231-P474 WeakPolarHBondContact O-CB 3.42Å
232	R	91.3	Very high	91.4	Very high	118 Å²	118	58.2 Å²	58.2	45%	0.445	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	128.5	177.5	-176.7	-178.9	-178.1	179.3	4.3	109.5	I234 V284 E285	R232-I234 HydrophobicContact CG-CG2 4.44Å; R232-V284 WeakPolarHBondContact O-CA 3.43Å; R232-E285 HydrophobicContact CB-CB 4.46Å; R232-E285 PolarHBondContact N-O 2.88Å; R232-E285 PolarHBondContact O-N 2.77Å
233	V	92.6	Very high	91.1	Very high	38 Å²	38	59.3 Å²	59.3	23%	0.23	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	136.7	170.7	-174.8	0	0	0	0	109.6	F213 A218 A283	F213-V233 HydrophobicContact CD1-CG1 3.88Å; F213-V233 HydrophobicContact CD1-CG2 3.85Å; F213-V233 HydrophobicContact CE1-CG2 4.14Å; F213-V233 WeakPolarHBondContact O-CG1 3.46Å; A218-V233 HydrophobicContact CB-CG2 3.8Å; V233-A283 WeakPolarHBondContact CA-O 3.32Å
234	I	91.7	Very high	90.8	Very high	40 Å²	40	62.1 Å²	62.1	21%	0.205	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	157.9	169.2	65.9	160.2	0	0	0	110.3	F193 R232 M236 A283	F193-I234 HydrophobicContact CB-CD1 3.92Å; F193-I234 HydrophobicContact CD1-CB 4.42Å; F193-I234 HydrophobicContact CD1-CD1 3.3Å; F193-I234 HydrophobicContact CD1-CG1 3.51Å; F193-I234 HydrophobicContact CD1-CG2 4.05Å; F193-I234 HydrophobicContact CD2-CD1 3.76Å; F193-I234 HydrophobicContact CE1-CB 4.29Å; F193-I234 HydrophobicContact CE1-CD1 3.65Å; F193-I234 HydrophobicContact CE1-CG1 3.86Å; F193-I234 HydrophobicContact CE1-CG2 3.47Å; F193-I234 VanDerWaalsContact CE1-CG2 3.47Å; F193-I234 HydrophobicContact CE2-CD1 4.07Å; F193-I234 HydrophobicContact CG-CD1 3.37Å; F193-I234 HydrophobicContact CG-CG1 4.06Å; F193-I234 HydrophobicContact CZ-CD1 4.03Å; F193-I234 HydrophobicContact CZ-CG2 4.08Å; R232-I234 HydrophobicContact CG-CG2 4.44Å; I234-M236 HydrophobicContact CD1-CE 4.38Å; I234-A283 HydrophobicContact CD1-CB 4.35Å; I234-A283 HydrophobicContact CG1-CB 3.89Å; I234-A283 PolarHBondContact N-O 2.75Å; I234-A283 PolarHBondContact O-N 2.9Å
235	A	93.5	Very high	90.3	Very high	54 Å²	54	61.8 Å²	61.8	45%	0.446	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	131.1	167.3	0	0	0	0	0	109.5	L280	A235-L280 HydrophobicContact CB-CB 3.92Å; A235-L280 HydrophobicContact CB-CD1 3.6Å; A235-L280 HydrophobicContact CB-CG 4.4Å
236	M	90.9	Very high	90	Very high	18 Å²	18	65.5 Å²	65.5	9%	0.089	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	141.3	-177.6	-179.8	-179.4	-76	0	0	110.3	F193 I234 I238 Q240 T241 A281 A283	F193-M236 HydrophobicContact CB-CE 4.18Å; I234-M236 HydrophobicContact CD1-CE 4.38Å; M236-I238 PolarHBondContact O-N 2.68Å; M236-Q240 HydrophobicContact CG-CB 4Å; M236-Q240 HydrophobicContact SD-CB 4.05Å; M236-T241 HydrophobicContact CG-CG2 4.49Å; M236-T241 HydrophobicContact SD-CG2 4.09Å; M236-A281 PolarHBondContact N-O 2.86Å; M236-A281 PolarHBondContact O-N 2.95Å; M236-A283 HydrophobicContact CB-CB 4.24Å; M236-A283 HydrophobicContact CE-CB 4.12Å; M236-A283 HydrophobicContact SD-CB 4.49Å
237	P	93.1	Very high	90.1	Very high	43 Å²	43	60.1 Å²	60.1	28%	0.279	33%	0.332	S	S	.	.			trans	-57.6	137.2	171.2	-23.7	34.2	0	0	0	111.8	E239 Q240	P237-E239 WeakPolarHBondContact CB-OE2 3.3Å; P237-E239 PolarHBondContact O-N 2.96Å; P237-Q240 HydrophobicContact CB-CG 4.23Å; P237-Q240 HydrophobicContact CG-CG 4.48Å; P237-Q240 WeakPolarHBondContact O-CB 3.19Å; P237-Q240 PolarHBondContact O-N 3.4Å; P237-Q240 VanDerWaalsContact O-N 3.09Å
238	I	91.5	Very high	90.3	Very high	8 Å²	8	59.1 Å²	59.1	4%	0.041	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-60.6	-35.6	-175.7	-58.9	175.4	0	0	0	110.9	T207 M236 Q240 T241 T245 P248 A281	T207-I238 HydrophobicContact CG2-CG2 4.2Å; M236-I238 PolarHBondContact O-N 2.68Å; I238-Q240 PolarHBondContact O-N 2.88Å; I238-T241 WeakPolarHBondContact O-CB 3.03Å; I238-T241 PolarHBondContact O-N 3.2Å; I238-T241 PolarHBondContact O-OG1 3.07Å; I238-T245 VanDerWaalsContact CG2-O 3.32Å; I238-T245 WeakPolarHBondContact CG2-O 3.48Å; I238-P248 HydrophobicContact CD1-CG 4Å; I238-A281 HydrophobicContact CG1-CB 4.31Å
239	E	89.1	Confident	90.5	Very high	160 Å²	160	58.7 Å²	58.7	75%	0.748	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-62.4	-27.9	-178.7	-45.6	89	-166.4	0	0	112.5	P237 T241	P237-E239 WeakPolarHBondContact CB-OE2 3.3Å; P237-E239 PolarHBondContact O-N 2.96Å; E239-T241 VanDerWaalsContact C-N 3.27Å; E239-T241 PolarHBondContact O-N 3.36Å
240	Q	88.4	Confident	90.7	Very high	126 Å²	126	51.8 Å²	51.8	59%	0.589	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-77.6	-12.8	178.7	-63.6	-178.1	4.3	0	0	113	M236 P237 I238 G242	M236-Q240 HydrophobicContact CG-CB 4Å; M236-Q240 HydrophobicContact SD-CB 4.05Å; P237-Q240 HydrophobicContact CB-CG 4.23Å; P237-Q240 HydrophobicContact CG-CG 4.48Å; P237-Q240 WeakPolarHBondContact O-CB 3.19Å; P237-Q240 PolarHBondContact O-N 3.4Å; P237-Q240 VanDerWaalsContact O-N 3.09Å; I238-Q240 PolarHBondContact O-N 2.88Å; Q240-G242 VanDerWaalsContact C-N 3.34Å
241	T	88.2	Confident	90.7	Very high	7 Å²	7	51.8 Å²	51.8	4%	0.043	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-83	-12	-179.3	72.3	0	0	0	0	113.6	P195 T207 M236 I238 E239 I243 A281	P195-T241 HydrophobicContact CB-CG2 3.89Å; T207-T241 HydrophobicContact CG2-CG2 4Å; M236-T241 HydrophobicContact CG-CG2 4.49Å; M236-T241 HydrophobicContact SD-CG2 4.09Å; I238-T241 WeakPolarHBondContact O-CB 3.03Å; I238-T241 PolarHBondContact O-N 3.2Å; I238-T241 PolarHBondContact O-OG1 3.07Å; E239-T241 VanDerWaalsContact C-N 3.27Å; E239-T241 PolarHBondContact O-N 3.36Å; T241-I243 PolarHBondContact O-N 3.21Å; T241-I243 WeakPolarHBondContact OG1-CB 3.5Å; T241-I243 PolarHBondContact OG1-N 2.88Å; T241-A281 HydrophobicContact CG2-CB 3.77Å
242	G	86	Confident	90.7	Very high	71 Å²	71	51.7 Å²	51.7	73%	0.732	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	1.9	-172.6	0	0	0	0	0	114.6	Q240	Q240-G242 VanDerWaalsContact C-N 3.34Å
243	I	89.2	Confident	90.3	Very high	22 Å²	22	46.3 Å²	46.3	11%	0.113	27%	0.273	C	S	.	.			trans	-87.7	128.9	171.5	-63	-59.1	0	0	0	109.8	L197 K205 T207 T241 T245	L197-I243 HydrophobicContact CD1-CD1 4.35Å; L197-I243 HydrophobicContact CD1-CG1 4.35Å; L197-I243 HydrophobicContact CD2-CD1 4.26Å; L197-I243 HydrophobicContact CD2-CG1 3.57Å; K205-I243 HydrophobicContact CB-CD1 4.08Å; T207-I243 HydrophobicContact CG2-CB 4.22Å; T207-I243 HydrophobicContact CG2-CG1 4.1Å; T241-I243 PolarHBondContact O-N 3.21Å; T241-I243 WeakPolarHBondContact OG1-CB 3.5Å; T241-I243 PolarHBondContact OG1-N 2.88Å; I243-T245 VanDerWaalsContact C-N 3.34Å; I243-T245 HydrophobicContact CG2-CG2 3.64Å; I243-T245 VanDerWaalsContact CG2-OG1 3.31Å; I243-T245 WeakPolarHBondContact CG2-OG1 3.18Å; I243-T245 PolarHBondContact O-N 2.81Å
244	N	85.6	Confident	90.1	Very high	167 Å²	167	47.8 Å²	47.8	89%	0.893	28%	0.275	S	S	*	.			trans	-91.1	62.5	176.6	-167.3	27.1	0	0	0	111.6
245	T	85.3	Confident	90.2	Very high	44 Å²	44	45.9 Å²	45.9	27%	0.27	27%	0.265	S	S	.	.			trans	-126.3	152.8	173.7	63.6	0	0	0	0	110.4	I238 I243 N247	I238-T245 VanDerWaalsContact CG2-O 3.32Å; I238-T245 WeakPolarHBondContact CG2-O 3.48Å; I243-T245 VanDerWaalsContact C-N 3.34Å; I243-T245 HydrophobicContact CG2-CG2 3.64Å; I243-T245 VanDerWaalsContact CG2-OG1 3.31Å; I243-T245 WeakPolarHBondContact CG2-OG1 3.18Å; I243-T245 PolarHBondContact O-N 2.81Å; T245-N247 PolarHBondContact OG1-O 3.48Å; T245-N247 VanDerWaalsContact OG1-O 3.13Å
246	T	86.1	Confident	90.1	Very high	127 Å²	127	46.1 Å²	46.1	78%	0.779	26%	0.255	S	S	*	.	S	Bend	trans	-86.1	-25.2	179	49.4	0	0	0	0	113.3
247	N	91.7	Very high	90.2	Very high	40 Å²	40	46 Å²	46	21%	0.214	26%	0.258	C	S	.	.	S	Bend	trans	-132.4	154.1	178.7	-65.4	-55.3	0	0	0	109.8	T245	T245-N247 PolarHBondContact OG1-O 3.48Å; T245-N247 VanDerWaalsContact OG1-O 3.13Å
248	P	95	Very high	90.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.272	C	S	.	.			trans	-61.3	151.1	165.4	-20.2	36.4	0	0	0	110.5	T207 I238 G273 I274 C276	T207-P248 WeakPolarHBondContact O-CA 3.11Å; T207-P248 WeakPolarHBondContact O-CB 3.47Å; T207-P248 VanDerWaalsContact OG1-CA 3.3Å; T207-P248 WeakPolarHBondContact OG1-CA 3.25Å; T207-P248 WeakPolarHBondContact OG1-CB 3.17Å; I238-P248 HydrophobicContact CD1-CG 4Å; P248-G273 CarbonylContact O-C 3.43Å; P248-G273 WeakPolarHBondContact O-CA 3.43Å; P248-I274 PolarHBondContact O-N 2.9Å; P248-C276 VanDerWaalsContact CD-SG 3.55Å; P248-C276 WeakPolarHBondContact CG-SG 3.41Å
249	I	95.1	Very high	90.4	Very high	3 Å²	3	50 Å²	50	2%	0.015	28%	0.276	C	S	.	.			trans	-104.5	-4.3	-176.7	68.9	171.1	0	0	0	112.6	I198 T200 T204 T207 I269 D270 I274	I198-I249 HydrophobicContact CD1-CD1 4.22Å; I198-I249 HydrophobicContact CD1-CG1 4.12Å; I198-I249 HydrophobicContact CG1-CD1 4.16Å; I198-I249 HydrophobicContact CG1-CG1 4.22Å; T200-I249 HydrophobicContact CG2-CD1 4.38Å; T204-I249 HydrophobicContact CG2-CD1 4.09Å; T207-I249 PolarHBondContact O-N 2.64Å; I249-I269 WeakPolarHBondContact O-CA 3.13Å; I249-I269 WeakPolarHBondContact O-CG2 3.48Å; I249-D270 WeakPolarHBondContact CB-O 3.43Å; I249-D270 PolarHBondContact O-N 3.4Å; I249-I274 WeakPolarHBondContact O-CD1 3.4Å
250	A	95.1	Very high	90.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	144.9	-173.7	0	0	0	0	0	112.5	I198 T207 V208 C209 Y268 I269	I198-A250 HydrophobicContact CD1-CB 3.43Å; I198-A250 VanDerWaalsContact CD1-CB 3.43Å; I198-A250 HydrophobicContact CG1-CB 4.44Å; T207-A250 PolarHBondContact O-N 3.11Å; V208-A250 CarbonylContact C-O 3.55Å; V208-A250 WeakPolarHBondContact CA-O 3.41Å; V208-A250 HydrophobicContact CG2-CB 4.15Å; C209-A250 PolarHBondContact N-O 3.21Å; A250-Y268 CarbonylContact C-O 3.56Å; A250-Y268 WeakPolarHBondContact CA-O 3.5Å; A250-I269 HydrophobicContact CB-CG1 3.87Å
251	I	93.4	Very high	90.9	Very high	0 Å²	0	42 Å²	42	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	123.9	161.9	-61.2	170	0	0	0	107.4	L158 L160 F162 C209 H212 G253 S267 Y268 I274	L158-I251 HydrophobicContact CD1-CB 4.37Å; L158-I251 HydrophobicContact CD1-CG2 3.48Å; L158-I251 VanDerWaalsContact CD1-CG2 3.48Å; L158-I251 HydrophobicContact CD2-CG2 3.44Å; L158-I251 VanDerWaalsContact CD2-CG2 3.44Å; L158-I251 HydrophobicContact CG-CG2 4Å; L160-I251 HydrophobicContact CD1-CD1 3.55Å; L160-I251 HydrophobicContact CD2-CD1 3.55Å; L160-I251 HydrophobicContact CG-CD1 4.2Å; F162-I251 HydrophobicContact CE2-CD1 4.44Å; C209-I251 HydrophobicContact CB-CG1 4.06Å; C209-I251 WeakPolarHBondContact SG-CG1 3.34Å; H212-I251 HydrophobicContact CB-CG2 3.69Å; I251-G253 PolarHBondContact O-N 3.46Å; I251-S267 CarbonylContact O-C 3.49Å; I251-S267 WeakPolarHBondContact O-CA 3.37Å; I251-Y268 PolarHBondContact N-O 2.97Å; I251-Y268 PolarHBondContact O-N 2.87Å; I251-I274 HydrophobicContact CD1-CD1 4.33Å; I251-I274 HydrophobicContact CD1-CG2 3.61Å; I251-I274 HydrophobicContact CG1-CD1 3.99Å; I251-I274 HydrophobicContact CG1-CG2 4.05Å
252	L	91.7	Very high	91.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	116.4	166.1	-82.3	-97.7	0	0	0	105.7	F175 V208 F213 E217 L262 C265	F175-L252 HydrophobicContact CZ-CD2 4.33Å; V208-L252 HydrophobicContact CG1-CB 4.24Å; V208-L252 HydrophobicContact CG1-CD2 3.87Å; V208-L252 HydrophobicContact CG1-CG 4.05Å; V208-L252 HydrophobicContact CG2-CD2 4.06Å; F213-L252 HydrophobicContact CD2-CB 4.14Å; F213-L252 HydrophobicContact CD2-CG 4.17Å; F213-L252 HydrophobicContact CE2-CG 4.24Å; E217-L252 HydrophobicContact CG-CB 4.1Å; L252-L262 HydrophobicContact CD1-CB 4.24Å; L252-L262 HydrophobicContact CD1-CD1 4.48Å; L252-L262 HydrophobicContact CD1-CD2 3.95Å; L252-L262 HydrophobicContact CD1-CG 4.47Å; L252-C265 HydrophobicContact CD1-CB 4.13Å
253	G	83	Confident	91.7	Very high	5 Å²	5	42.8 Å²	42.8	5%	0.052	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	-58.6	-178.4	0	0	0	0	0	111.1	W155 I251 K266	W155-G253 WeakPolarHBondContact CH2-O 3.35Å; I251-G253 PolarHBondContact O-N 3.46Å; G253-K266 WeakPolarHBondContact CA-O 3.39Å; G253-K266 PolarHBondContact N-O 3.39Å
254	Y	88.8	Confident	92.1	Very high	68 Å²	68	48.6 Å²	48.6	27%	0.267	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	152.8	170.8	60.3	-70.4	0	0	0	112.3	W155 E217 Y256 C265 K266 N505	W155-Y254 HydrophobicContact CE3-CD1 4.29Å; W155-Y254 HydrophobicContact CE3-CE1 4.48Å; W155-Y254 AromaticContact CH2-CD1 3.84Å; W155-Y254 HydrophobicContact CH2-CD1 3.84Å; W155-Y254 AromaticContact CH2-CG 3.85Å; W155-Y254 HydrophobicContact CH2-CG 3.85Å; W155-Y254 AromaticContact CZ3-CD1 3.23Å; W155-Y254 HydrophobicContact CZ3-CD1 3.23Å; W155-Y254 HydrophobicContact CZ3-CD2 4.42Å; W155-Y254 AromaticContact CZ3-CE1 3.79Å; W155-Y254 HydrophobicContact CZ3-CE1 3.79Å; W155-Y254 AromaticContact CZ3-CG 3.58Å; W155-Y254 HydrophobicContact CZ3-CG 3.58Å; E217-Y254 VanDerWaalsContact OE1-CA 3.25Å; E217-Y254 WeakPolarHBondContact OE1-CA 3.35Å; Y254-Y256 HydrophobicContact CD2-CD2 4.44Å; Y254-Y256 HydrophobicContact CD2-CE2 4.23Å; Y254-Y256 HydrophobicContact CE2-CD2 4.24Å; Y254-Y256 AromaticContact CE2-CE2 3.64Å; Y254-Y256 HydrophobicContact CE2-CE2 3.64Å; Y254-C265 VanDerWaalsContact O-CB 3.31Å; Y254-C265 WeakPolarHBondContact O-CB 3.26Å; Y254-K266 HydrophobicContact CD1-CB 3.44Å; Y254-K266 VanDerWaalsContact CD1-CB 3.44Å; Y254-K266 HydrophobicContact CD1-CG 4Å; Y254-K266 HydrophobicContact CE1-CB 3.43Å; Y254-K266 VanDerWaalsContact CE1-CB 3.43Å; Y254-K266 HydrophobicContact CE1-CG 3.76Å; Y254-K266 HydrophobicContact CG-CB 4.26Å; Y254-K266 PolarHBondContact N-O 2.88Å; Y254-K266 PolarHBondContact O-N 2.77Å; Y254-N505 HydrophobicContact CD2-CB 4.33Å; Y254-N505 WeakPolarHBondContact CD2-ND2 3.41Å
255	C	92.9	Very high	92.5	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.209	C	C	.	.			trans	-113.2	160.8	159	-56.3	0	0	0	0	110.5	E217 V220 E259 C265 N505	E217-C255 HydrophobicContact CG-CB 4.38Å; E217-C255 PolarHBondContact OE1-N 3.46Å; V220-C255 HydrophobicContact CG2-CB 3.84Å; C255-E259 WeakPolarHBondContact CA-OE1 3.25Å; C255-C265 HydrophobicContact CB-CB 4.04Å; C255-C265 WeakPolarHBondContact CB-SG 3.36Å; C255-C265 WeakPolarHBondContact SG-CB 3.43Å; C255-C265 CovalentContact SG-SG 2.02Å; C255-C265 PolarHBondContact SG-SG 3.24Å; C255-N505 PolarHBondContact O-ND2 2.85Å
256	Y	92.3	Very high	92.8	Very high	60 Å²	60	42.7 Å²	42.7	24%	0.235	21%	0.213	C	C	.	.			trans	-88.6	-15.6	164.1	-76.4	-91.3	0	0	0	112.6	Y254 E259 F479 H503 N505 D506	Y254-Y256 HydrophobicContact CD2-CD2 4.44Å; Y254-Y256 HydrophobicContact CD2-CE2 4.23Å; Y254-Y256 HydrophobicContact CE2-CD2 4.24Å; Y254-Y256 AromaticContact CE2-CE2 3.64Å; Y254-Y256 HydrophobicContact CE2-CE2 3.64Å; Y256-E259 VanDerWaalsContact N-CD 3.34Å; Y256-E259 PolarHBondContact N-OE1 3.33Å; Y256-E259 PolarHBondContact N-OE2 2.87Å; Y256-E259 VanDerWaalsContact N-OE2 3.11Å; Y256-F479 HydrophobicContact CD1-CE1 4.37Å; Y256-F479 HydrophobicContact CD1-CZ 4.36Å; Y256-F479 HydrophobicContact CG-CZ 4.5Å; Y256-F479 VanDerWaalsContact O-CE2 3.28Å; Y256-F479 WeakPolarHBondContact O-CE2 2.89Å; Y256-H503 HydrophobicContact CD1-CB 3.99Å; Y256-H503 AromaticContact CD1-CD2 3.95Å; Y256-H503 AromaticContact CD1-CE1 3.89Å; Y256-H503 AromaticContact CD1-CG 3.51Å; Y256-H503 AromaticContact CD1-ND1 3.45Å; Y256-H503 WeakPolarHBondContact CD1-ND1 3.44Å; Y256-H503 HydrophobicContact CE1-CB 4.12Å; Y256-H503 AromaticContact CE1-CG 3.99Å; Y256-H503 AromaticContact CE1-ND1 3.79Å; Y256-H503 PolarHBondContact O-NE2 2.93Å; Y256-H503 VanDerWaalsContact O-NE2 3.17Å; Y256-N505 HydrophobicContact CE1-CB 4.17Å; Y256-D506 WeakPolarHBondContact CE1-OD1 3.08Å; Y256-D506 PolarHBondContact OH-OD1 2.95Å
257	G	92.2	Very high	93.2	Very high	14 Å²	14	37.2 Å²	37.2	14%	0.144	18%	0.18	C	C	.	.	S	Bend	trans	92.3	-9	-179.4	0	0	0	0	0	114.1	I219 E259	I219-G257 WeakPolarHBondContact CG2-O 2.93Å; G257-E259 PolarHBondContact N-OE2 3.01Å
258	N	93.9	Very high	93.2	Very high	109 Å²	109	36.2 Å²	36.2	58%	0.583	17%	0.174	S	C	*	.			trans	-100.1	-0.9	175	68.4	-15.3	0	0	0	113.5	F479	N258-F479 HydrophobicContact CB-CE2 3.78Å; N258-F479 HydrophobicContact CB-CZ 4Å; N258-F479 VanDerWaalsContact CG-CZ 3.49Å; N258-F479 WeakPolarHBondContact ND2-CZ 3.47Å
259	E	95.6	Very high	93.2	Very high	27 Å²	27	36.2 Å²	36.2	13%	0.126	17%	0.174	C	C	.	.			trans	-64.6	149.1	174.3	-60.4	89.2	158.4	0	0	111.4	V220 C255 Y256 G257	V220-E259 HydrophobicContact CG1-CB 3.97Å; V220-E259 HydrophobicContact CG2-CB 3.94Å; V220-E259 WeakPolarHBondContact CG2-OE2 3.08Å; C255-E259 WeakPolarHBondContact CA-OE1 3.25Å; Y256-E259 VanDerWaalsContact N-CD 3.34Å; Y256-E259 PolarHBondContact N-OE1 3.33Å; Y256-E259 PolarHBondContact N-OE2 2.87Å; Y256-E259 VanDerWaalsContact N-OE2 3.11Å; G257-E259 PolarHBondContact N-OE2 3.01Å
260	T	93.3	Very high	93.1	Very high	80 Å²	80	38.5 Å²	38.5	49%	0.491	19%	0.186	S	C	.	.	S	Bend	trans	-84.3	-23.9	177.7	62.4	0	0	0	0	113.3	Y264	T260-Y264 WeakPolarHBondContact OG1-CE2 3.22Å
261	D	95.5	Very high	93	Very high	37 Å²	37	43 Å²	43	20%	0.198	20%	0.203	C	C	.	.	S	Bend	trans	-145.6	143	-175.4	-66.2	-92.5	0	0	0	109.7	Q224 K263 Y264	Q224-D261 PolarHBondContact NE2-OD1 3.03Å; D261-K263 HydrophobicContact CB-CD 4.09Å; D261-K263 HydrophobicContact CB-CG 3.81Å; D261-K263 PolarHBondContact O-N 2.87Å; D261-K263 IonicContact OD2-NZ 3.36Å; D261-K263 PolarHBondContact OD2-NZ 2.83Å; D261-Y264 HydrophobicContact CB-CD2 3.84Å; D261-Y264 HydrophobicContact CB-CE2 3.98Å; D261-Y264 PolarHBondContact O-N 3.18Å; D261-Y264 WeakPolarHBondContact OD2-CE2 3.47Å
262	L	96.3	Very high	92.8	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-57.6	-22.9	176.2	-75.2	-174.5	0	0	0	113.7	F175 V177 V196 F213 E217 V220 F221 L252 Y264 C265	F175-L262 HydrophobicContact CE2-CB 4.16Å; F175-L262 HydrophobicContact CZ-CB 4.17Å; F175-L262 WeakPolarHBondContact CZ-O 3.16Å; V177-L262 HydrophobicContact CG2-CB 4.01Å; V177-L262 HydrophobicContact CG2-CD1 3.9Å; V177-L262 HydrophobicContact CG2-CG 4.31Å; V196-L262 HydrophobicContact CG1-CD1 4.12Å; F213-L262 HydrophobicContact CE2-CD1 4.24Å; E217-L262 HydrophobicContact CB-CD2 4.45Å; V220-L262 HydrophobicContact CB-CD2 3.87Å; V220-L262 HydrophobicContact CG1-CD2 3.84Å; V220-L262 HydrophobicContact CG1-CG 4.25Å; F221-L262 HydrophobicContact CB-CD1 4.01Å; F221-L262 HydrophobicContact CB-CD2 4.3Å; F221-L262 HydrophobicContact CB-CG 4.26Å; F221-L262 HydrophobicContact CD2-CD1 3.67Å; F221-L262 HydrophobicContact CG-CD1 4.26Å; L252-L262 HydrophobicContact CD1-CB 4.24Å; L252-L262 HydrophobicContact CD1-CD1 4.48Å; L252-L262 HydrophobicContact CD1-CD2 3.95Å; L252-L262 HydrophobicContact CD1-CG 4.47Å; L262-Y264 PolarHBondContact O-N 3.23Å; L262-C265 WeakPolarHBondContact O-CB 3.22Å; L262-C265 PolarHBondContact O-N 3.49Å
263	K	94.6	Very high	92.8	Very high	96 Å²	96	50.9 Å²	50.9	42%	0.417	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-65.9	-16.3	177.2	77.7	-168.1	176.9	-160.8	0	113.6	D261	D261-K263 HydrophobicContact CB-CD 4.09Å; D261-K263 HydrophobicContact CB-CG 3.81Å; D261-K263 PolarHBondContact O-N 2.87Å; D261-K263 IonicContact OD2-NZ 3.36Å; D261-K263 PolarHBondContact OD2-NZ 2.83Å
264	Y	95.9	Very high	93.1	Very high	143 Å²	143	50.8 Å²	50.8	56%	0.561	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-92.3	-16.2	177.4	-62.2	-53.5	0	0	0	112.7	T260 D261 L262	T260-Y264 WeakPolarHBondContact OG1-CE2 3.22Å; D261-Y264 HydrophobicContact CB-CD2 3.84Å; D261-Y264 HydrophobicContact CB-CE2 3.98Å; D261-Y264 PolarHBondContact O-N 3.18Å; D261-Y264 WeakPolarHBondContact OD2-CE2 3.47Å; L262-Y264 PolarHBondContact O-N 3.23Å
265	C	94.7	Very high	93.1	Very high	7 Å²	7	52.2 Å²	52.2	5%	0.047	27%	0.268	C	S	.	.	S	Bend	trans	-68.3	158.2	170.3	-56.4	0	0	0	0	110.7	L252 Y254 C255 L262 S267	L252-C265 HydrophobicContact CD1-CB 4.13Å; Y254-C265 VanDerWaalsContact O-CB 3.31Å; Y254-C265 WeakPolarHBondContact O-CB 3.26Å; C255-C265 HydrophobicContact CB-CB 4.04Å; C255-C265 WeakPolarHBondContact CB-SG 3.36Å; C255-C265 WeakPolarHBondContact SG-CB 3.43Å; C255-C265 CovalentContact SG-SG 2.02Å; C255-C265 PolarHBondContact SG-SG 3.24Å; L262-C265 WeakPolarHBondContact O-CB 3.22Å; L262-C265 PolarHBondContact O-N 3.49Å; C265-S267 PolarHBondContact O-N 3.17Å
266	K	92.3	Very high	92.8	Very high	81 Å²	81	52.6 Å²	52.6	35%	0.352	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	129	171.3	-172.7	69.6	174.8	-176.4	0	108	G253 Y254 Y268	G253-K266 WeakPolarHBondContact CA-O 3.39Å; G253-K266 PolarHBondContact N-O 3.39Å; Y254-K266 HydrophobicContact CD1-CB 3.44Å; Y254-K266 VanDerWaalsContact CD1-CB 3.44Å; Y254-K266 HydrophobicContact CD1-CG 4Å; Y254-K266 HydrophobicContact CE1-CB 3.43Å; Y254-K266 VanDerWaalsContact CE1-CB 3.43Å; Y254-K266 HydrophobicContact CE1-CG 3.76Å; Y254-K266 HydrophobicContact CG-CB 4.26Å; Y254-K266 PolarHBondContact N-O 2.88Å; Y254-K266 PolarHBondContact O-N 2.77Å; K266-Y268 WeakPolarHBondContact CE-OH 3.27Å; K266-Y268 HydrophobicContact CG-CE2 4.07Å
267	S	93.4	Very high	92.6	Very high	12 Å²	12	58.2 Å²	58.2	8%	0.084	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	154.6	-179.9	63.8	0	0	0	0	111.3	S171 F175 I251 C265	S171-S267 VanDerWaalsContact CA-O 3.27Å; S171-S267 WeakPolarHBondContact CA-O 3.36Å; F175-S267 WeakPolarHBondContact CE1-OG 3.41Å; I251-S267 CarbonylContact O-C 3.49Å; I251-S267 WeakPolarHBondContact O-CA 3.37Å; C265-S267 PolarHBondContact O-N 3.17Å
268	Y	93.3	Very high	92.4	Very high	19 Å²	19	59.7 Å²	59.7	8%	0.075	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	121.8	176.1	-55.6	-84	0	0	0	108.7	P157 L158 L167 M170 A250 I251 K266 I274	P157-Y268 HydrophobicContact CG-CE2 4.44Å; L158-Y268 HydrophobicContact CD1-CD2 3.55Å; L158-Y268 HydrophobicContact CD1-CE2 3.53Å; L167-Y268 HydrophobicContact CB-CD1 4.17Å; L167-Y268 HydrophobicContact CB-CE1 3.76Å; L167-Y268 HydrophobicContact CD2-CD1 3.75Å; L167-Y268 HydrophobicContact CD2-CE1 3.73Å; L167-Y268 HydrophobicContact CD2-CG 4.23Å; L167-Y268 HydrophobicContact CG-CE1 4.29Å; L167-Y268 WeakPolarHBondContact O-CD1 3.39Å; M170-Y268 HydrophobicContact CB-CD1 4.23Å; A250-Y268 CarbonylContact C-O 3.56Å; A250-Y268 WeakPolarHBondContact CA-O 3.5Å; I251-Y268 PolarHBondContact N-O 2.97Å; I251-Y268 PolarHBondContact O-N 2.87Å; K266-Y268 WeakPolarHBondContact CE-OH 3.27Å; K266-Y268 HydrophobicContact CG-CE2 4.07Å; Y268-I274 WeakPolarHBondContact O-CD1 3.34Å
269	I	94.4	Very high	92.2	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	140.9	-174	-63.3	164.8	0	0	0	110	M170 I173 F175 I198 T200 I249 A250	M170-I269 WeakPolarHBondContact CB-O 3.49Å; M170-I269 WeakPolarHBondContact CG-O 3.27Å; M170-I269 PolarHBondContact O-N 3.37Å; I173-I269 HydrophobicContact CB-CB 4.02Å; I173-I269 HydrophobicContact CB-CG2 4.36Å; I173-I269 VanDerWaalsContact CD1-O 3.29Å; I173-I269 WeakPolarHBondContact CD1-O 3.42Å; I173-I269 HydrophobicContact CG2-CB 3.85Å; I173-I269 HydrophobicContact CG2-CD1 4.19Å; I173-I269 HydrophobicContact CG2-CG2 3.68Å; F175-I269 HydrophobicContact CB-CD1 3.79Å; F175-I269 HydrophobicContact CD1-CD1 3.27Å; F175-I269 HydrophobicContact CE1-CD1 4.06Å; F175-I269 HydrophobicContact CG-CD1 3.78Å; I198-I269 HydrophobicContact CD1-CD1 4.16Å; I198-I269 HydrophobicContact CD1-CG1 4.36Å; T200-I269 HydrophobicContact CG2-CG2 3.79Å; I249-I269 WeakPolarHBondContact O-CA 3.13Å; I249-I269 WeakPolarHBondContact O-CG2 3.48Å; A250-I269 HydrophobicContact CB-CG1 3.87Å
270	D	93.1	Very high	92.1	Very high	51 Å²	51	61.7 Å²	61.7	27%	0.273	31%	0.313	S	S	.	.			trans	-132	126	167.1	-166.2	-29.1	0	0	0	109.9	M170 I249 N272 G273 I274	M170-D270 HydrophobicContact CE-CB 4.23Å; I249-D270 WeakPolarHBondContact CB-O 3.43Å; I249-D270 PolarHBondContact O-N 3.4Å; D270-N272 PolarHBondContact O-N 2.95Å; D270-N272 PolarHBondContact OD1-N 3.07Å; D270-N272 PolarHBondContact OD1-ND2 2.94Å; D270-G273 PolarHBondContact O-N 2.9Å; D270-G273 VanDerWaalsContact O-N 3.13Å; D270-I274 HydrophobicContact CB-CD1 4.49Å; D270-I274 HydrophobicContact CB-CG1 3.86Å
271	Y	91.9	Very high	92.2	Very high	94 Å²	94	58 Å²	58	37%	0.369	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-26	178.2	-52.6	-68.2	0	0	0	113.1	I173 T200 N202 G273	I173-Y271 HydrophobicContact CD1-CD2 4.27Å; I173-Y271 HydrophobicContact CD1-CE2 3.62Å; I173-Y271 HydrophobicContact CG1-CE2 4.25Å; I173-Y271 HydrophobicContact CG2-CE1 3.93Å; T200-Y271 HydrophobicContact CG2-CD1 4.2Å; T200-Y271 HydrophobicContact CG2-CE1 3.95Å; N202-Y271 VanDerWaalsContact ND2-CD1 3.29Å; N202-Y271 WeakPolarHBondContact ND2-CD1 3.38Å; N202-Y271 WeakPolarHBondContact ND2-CE1 3.4Å; N202-Y271 VanDerWaalsContact OD1-CE1 3.29Å; N202-Y271 WeakPolarHBondContact OD1-CE1 3.23Å; Y271-G273 VanDerWaalsContact C-N 3.3Å
272	N	90.2	Very high	92.2	Very high	147 Å²	147	56.2 Å²	56.2	79%	0.786	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-0.4	-178.5	-57.6	-51.5	0	0	0	113.2	D270	D270-N272 PolarHBondContact O-N 2.95Å; D270-N272 PolarHBondContact OD1-N 3.07Å; D270-N272 PolarHBondContact OD1-ND2 2.94Å
273	G	90.4	Very high	92.1	Very high	18 Å²	18	56.2 Å²	56.2	19%	0.186	28%	0.28	C	S	.	.			trans	90.3	152.5	-173.7	0	0	0	0	0	112.6	P248 D270 Y271	P248-G273 CarbonylContact O-C 3.43Å; P248-G273 WeakPolarHBondContact O-CA 3.43Å; D270-G273 PolarHBondContact O-N 2.9Å; D270-G273 VanDerWaalsContact O-N 3.13Å; Y271-G273 VanDerWaalsContact C-N 3.3Å
274	I	90.9	Very high	92.1	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.021	26%	0.26	C	S	.	.			trans	-114.2	132	-179.1	-59.1	175.6	0	0	0	108.1	F162 M170 P248 I249 I251 Y268 D270 C276	F162-I274 HydrophobicContact CE2-CG2 4.31Å; F162-I274 HydrophobicContact CZ-CG2 4.09Å; M170-I274 HydrophobicContact CE-CD1 3.48Å; M170-I274 VanDerWaalsContact CE-CD1 3.48Å; M170-I274 HydrophobicContact CE-CG1 3.89Å; P248-I274 PolarHBondContact O-N 2.9Å; I249-I274 WeakPolarHBondContact O-CD1 3.4Å; I251-I274 HydrophobicContact CD1-CD1 4.33Å; I251-I274 HydrophobicContact CD1-CG2 3.61Å; I251-I274 HydrophobicContact CG1-CD1 3.99Å; I251-I274 HydrophobicContact CG1-CG2 4.05Å; Y268-I274 WeakPolarHBondContact O-CD1 3.34Å; D270-I274 HydrophobicContact CB-CD1 4.49Å; D270-I274 HydrophobicContact CB-CG1 3.86Å; I274-C276 VanDerWaalsContact C-N 3.33Å; I274-C276 PolarHBondContact O-N 3.37Å
275	S	88	Confident	92	Very high	97 Å²	97	47.4 Å²	47.4	68%	0.678	25%	0.246	S	C	*	.			trans	-77.9	83.3	174.8	-177	0	0	0	0	110.3
276	C	87.5	Confident	91.9	Very high	8 Å²	8	48.3 Å²	48.3	5%	0.054	25%	0.252	C	S	.	.			trans	-68	167.6	170.8	-25.9	0	0	0	0	111.2	C209 D211 P248 I274	C209-C276 HydrophobicContact CB-CB 3.69Å; C209-C276 WeakPolarHBondContact CB-SG 3.09Å; C209-C276 WeakPolarHBondContact SG-CB 3.19Å; C209-C276 CovalentContact SG-SG 2.03Å; C209-C276 PolarHBondContact SG-SG 3.32Å; D211-C276 WeakPolarHBondContact OD2-CB 3.46Å; P248-C276 VanDerWaalsContact CD-SG 3.55Å; P248-C276 WeakPolarHBondContact CG-SG 3.41Å; I274-C276 VanDerWaalsContact C-N 3.33Å; I274-C276 PolarHBondContact O-N 3.37Å
277	Q	87.7	Confident	91.9	Very high	178 Å²	178	46.8 Å²	46.8	83%	0.832	25%	0.25	S	C	*	.	S	Bend	trans	-69.6	-47.2	-179	-179.3	176.3	-12.4	0	0	112.1	D211	D211-Q277 WeakPolarHBondContact OD2-CA 3.36Å; D211-Q277 PolarHBondContact OD2-N 2.6Å
278	S	88.1	Confident	91.9	Very high	45 Å²	45	50.9 Å²	50.9	32%	0.315	27%	0.27	S	S	.	.	S	Bend	trans	-89.1	-17.8	-177.9	58.1	0	0	0	0	114.2	S210 D211 L280	S210-S278 PolarHBondContact OG-OG 3.11Å; D211-S278 VanDerWaalsContact CG-OG 3.26Å; D211-S278 WeakPolarHBondContact OD1-CB 3.28Å; D211-S278 PolarHBondContact OD1-N 3.37Å; D211-S278 PolarHBondContact OD1-OG 2.79Å; D211-S278 PolarHBondContact OD2-N 3.02Å; D211-S278 PolarHBondContact OD2-OG 3.31Å; S278-L280 PolarHBondContact O-N 3.38Å; S278-L280 PolarHBondContact OG-N 3.16Å
279	K	89.4	Confident	92	Very high	123 Å²	123	53.8 Å²	53.8	54%	0.535	29%	0.287	S	S	.	.			trans	55.7	25.7	-166.9	-55	-179.9	179.6	177.4	0	113.4
280	L	94.3	Very high	92.1	Very high	56 Å²	56	54 Å²	54	29%	0.293	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-103.5	155.9	177.4	-61.5	173.6	0	0	0	111.2	S210 A235 S278	S210-L280 PolarHBondContact N-O 2.94Å; S210-L280 WeakPolarHBondContact OG-CB 3.43Å; S210-L280 PolarHBondContact OG-O 3.41Å; A235-L280 HydrophobicContact CB-CB 3.92Å; A235-L280 HydrophobicContact CB-CD1 3.6Å; A235-L280 HydrophobicContact CB-CG 4.4Å; S278-L280 PolarHBondContact O-N 3.38Å; S278-L280 PolarHBondContact OG-N 3.16Å
281	A	94.9	Very high	92.3	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.008	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	143.1	174.9	0	0	0	0	0	110.9	T207 V208 M236 I238 T241	T207-A281 HydrophobicContact CG2-CB 3.75Å; V208-A281 CarbonylContact O-C 3.5Å; V208-A281 WeakPolarHBondContact O-CA 3.26Å; M236-A281 PolarHBondContact N-O 2.86Å; M236-A281 PolarHBondContact O-N 2.95Å; I238-A281 HydrophobicContact CG1-CB 4.31Å; T241-A281 HydrophobicContact CG2-CB 3.77Å
282	A	95.5	Very high	92.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	136.9	168.1	0	0	0	0	0	110.8	V196 V208 F213	V196-A282 HydrophobicContact CB-CB 4.24Å; V196-A282 HydrophobicContact CG2-CB 3.99Å; V196-A282 PolarHBondContact N-O 3.08Å; V208-A282 HydrophobicContact CB-CB 4.46Å; V208-A282 PolarHBondContact O-N 2.84Å; F213-A282 HydrophobicContact CB-CB 3.7Å; F213-A282 HydrophobicContact CD1-CB 4.03Å; F213-A282 HydrophobicContact CD2-CB 4.21Å; F213-A282 HydrophobicContact CG-CB 3.71Å
283	A	94.4	Very high	92.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	154.4	166.8	0	0	0	0	0	110.2	F193 I194 V233 I234 M236	F193-A283 HydrophobicContact CB-CB 4.29Å; I194-A283 CarbonylContact O-C 3.53Å; I194-A283 VanDerWaalsContact O-CA 3.29Å; I194-A283 WeakPolarHBondContact O-CA 2.99Å; V233-A283 WeakPolarHBondContact CA-O 3.32Å; I234-A283 HydrophobicContact CD1-CB 4.35Å; I234-A283 HydrophobicContact CG1-CB 3.89Å; I234-A283 PolarHBondContact N-O 2.75Å; I234-A283 PolarHBondContact O-N 2.9Å; M236-A283 HydrophobicContact CB-CB 4.24Å; M236-A283 HydrophobicContact CE-CB 4.12Å; M236-A283 HydrophobicContact SD-CB 4.49Å
284	V	94.5	Very high	93.1	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	131.3	-172.4	-170.2	0	0	0	0	111.3	I194 V196 F213 A218 F221 C222 R232	I194-V284 PolarHBondContact N-O 3.05Å; I194-V284 PolarHBondContact O-N 3.04Å; V196-V284 HydrophobicContact CG2-CG2 3.97Å; F213-V284 HydrophobicContact CD1-CG2 4.44Å; F213-V284 HydrophobicContact CE1-CG2 3.61Å; F213-V284 HydrophobicContact CZ-CG2 4.27Å; A218-V284 HydrophobicContact CB-CG1 3.81Å; A218-V284 HydrophobicContact CB-CG2 4.26Å; F221-V284 HydrophobicContact CD1-CB 3.87Å; F221-V284 HydrophobicContact CD1-CG1 4.47Å; F221-V284 HydrophobicContact CD1-CG2 3.65Å; F221-V284 HydrophobicContact CE1-CB 3.99Å; F221-V284 HydrophobicContact CE1-CG2 3.96Å; C222-V284 VanDerWaalsContact SG-CG1 3.56Å; R232-V284 WeakPolarHBondContact O-CA 3.43Å
285	E	92.5	Very high	93.4	Very high	54 Å²	54	42 Å²	42	25%	0.252	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	94.8	164.7	176.5	178.2	-141.7	0	0	108.5	S191 F193 G231 R232	S191-E285 WeakPolarHBondContact CB-OE1 3.37Å; S191-E285 PolarHBondContact OG-OE1 3.28Å; F193-E285 HydrophobicContact CD1-CB 3.58Å; F193-E285 HydrophobicContact CE1-CB 3.45Å; F193-E285 VanDerWaalsContact CE1-CB 3.45Å; F193-E285 HydrophobicContact CE1-CG 4.37Å; F193-E285 HydrophobicContact CG-CB 4.5Å; F193-E285 HydrophobicContact CZ-CB 4.29Å; G231-E285 CarbonylContact C-O 3.56Å; G231-E285 WeakPolarHBondContact CA-O 3.48Å; R232-E285 HydrophobicContact CB-CB 4.46Å; R232-E285 PolarHBondContact N-O 2.88Å; R232-E285 PolarHBondContact O-N 2.77Å
286	C	93	Very high	93.8	Very high	27 Å²	27	39.8 Å²	39.8	18%	0.182	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	139.2	-179	-64.2	0	0	0	0	111.9	C222 A227 G230	C222-C286 WeakPolarHBondContact CA-SG 3.33Å; C222-C286 HydrophobicContact CB-CB 3.75Å; C222-C286 WeakPolarHBondContact CB-SG 3.33Å; C222-C286 WeakPolarHBondContact SG-CA 3.48Å; C222-C286 WeakPolarHBondContact SG-CB 3.43Å; C222-C286 CovalentContact SG-SG 2.04Å; C222-C286 PolarHBondContact SG-SG 2.97Å; A227-C286 HydrophobicContact CB-CB 4.01Å; A227-C286 WeakPolarHBondContact O-CB 3.19Å; G230-C286 CarbonylContact O-C 3.38Å; G230-C286 WeakPolarHBondContact O-CA 3.49Å
287	T	92.8	Very high	94.2	Very high	49 Å²	49	44.9 Å²	44.9	30%	0.301	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	158.5	179	176.5	0	0	0	0	110.9	G228 R229 G230 N289 L290	G228-T287 WeakPolarHBondContact CA-O 3.23Å; R229-T287 PolarHBondContact N-O 3.28Å; G230-T287 PolarHBondContact O-N 3.42Å; T287-N289 WeakPolarHBondContact CG2-O 3.35Å; T287-N289 PolarHBondContact OG1-N 3.45Å; T287-N289 VanDerWaalsContact OG1-N 3.09Å; T287-N289 PolarHBondContact OG1-O 3.07Å; T287-L290 HydrophobicContact CG2-CD2 3.61Å; T287-L290 HydrophobicContact CG2-CG 3.91Å
288	N	93.6	Very high	94.7	Very high	97 Å²	97	44.3 Å²	44.3	52%	0.519	22%	0.219	S	C	.	.	S	Bend	trans	-92.6	-16.1	171.5	-73.5	-56.5	0	0	0	113.1	G228	G228-N288 WeakPolarHBondContact CA-OD1 3.17Å
289	N	95.7	Very high	95.1	Very high	80 Å²	80	43.3 Å²	43.3	43%	0.428	21%	0.212	S	C	.	.			trans	-108.1	117.5	-175.9	-56.8	-35.3	0	0	0	109.3	T287 N357 E358	T287-N289 WeakPolarHBondContact CG2-O 3.35Å; T287-N289 PolarHBondContact OG1-N 3.45Å; T287-N289 VanDerWaalsContact OG1-N 3.09Å; T287-N289 PolarHBondContact OG1-O 3.07Å; N289-N357 WeakPolarHBondContact CA-OD1 2.92Å; N289-N357 PolarHBondContact OD1-ND2 3.31Å; N289-N357 VanDerWaalsContact OD1-ND2 3.14Å; N289-E358 HydrophobicContact CB-CB 4.09Å
290	L	96.4	Very high	95.5	Very high	5 Å²	5	37.6 Å²	37.6	3%	0.026	19%	0.188	C	C	.	.			trans	-145.5	150	-175.4	-70.7	168.1	0	0	0	110.2	R229 T287 G356 N357 E358 P474	R229-L290 HydrophobicContact CB-CD1 4.23Å; T287-L290 HydrophobicContact CG2-CD2 3.61Å; T287-L290 HydrophobicContact CG2-CG 3.91Å; L290-G356 WeakPolarHBondContact O-CA 3.37Å; L290-N357 PolarHBondContact N-OD1 3.06Å; L290-N357 PolarHBondContact O-N 2.82Å; L290-N357 PolarHBondContact O-OD1 2.92Å; L290-E358 PolarHBondContact O-N 2.9Å; L290-P474 HydrophobicContact CD2-CB 3.9Å; L290-P474 HydrophobicContact CD2-CG 4.11Å
291	P	97.2	Very high	95.6	Very high	5 Å²	5	37.9 Å²	37.9	3%	0.032	19%	0.187	C	C	.	.			trans	-66.1	166.8	166.6	28.1	-33.2	0	0	0	111.9	N354 E358 F360 V473 P474 E475 S476	P291-N354 WeakPolarHBondContact CA-OD1 3.41Å; P291-E358 WeakPolarHBondContact CA-O 3.24Å; P291-F360 HydrophobicContact CB-CB 3.74Å; P291-F360 HydrophobicContact CB-CD2 4.12Å; P291-F360 HydrophobicContact CB-CG 4.45Å; P291-F360 HydrophobicContact CG-CB 4.18Å; P291-F360 HydrophobicContact CG-CD2 4.01Å; P291-V473 HydrophobicContact CG-CG1 4.45Å; P291-P474 VanDerWaalsContact CD-O 3.25Å; P291-P474 WeakPolarHBondContact CD-O 3.44Å; P291-P474 WeakPolarHBondContact CG-O 3.48Å; P291-E475 HydrophobicContact CG-CG 4.06Å; P291-E475 CarbonylContact O-C 3.52Å; P291-E475 VanDerWaalsContact O-CA 3.23Å; P291-E475 WeakPolarHBondContact O-CA 3.39Å; P291-E475 WeakPolarHBondContact O-CB 3.37Å; P291-S476 PolarHBondContact O-N 3.26Å
292	D	97	Very high	95.7	Very high	24 Å²	24	41.9 Å²	41.9	13%	0.128	21%	0.212	C	C	.	.			trans	-150.9	97	173	177.9	17.4	0	0	0	108.1	N354 S355 N480	D292-N354 PolarHBondContact N-OD1 3.36Å; D292-N354 CarbonylContact O-C 3.58Å; D292-N354 WeakPolarHBondContact O-CA 3.37Å; D292-S355 PolarHBondContact O-N 3.05Å; D292-N480 PolarHBondContact OD1-ND2 3.37Å; D292-N480 PolarHBondContact OD1-OD1 3.13Å
293	L	96.1	Very high	95.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	128.1	-178.2	-62.9	-172.2	0	0	0	110.4	I352 E353 N354 F360 F384 I434 E475 N480	L293-I352 HydrophobicContact CB-CG2 3.89Å; L293-I352 HydrophobicContact CD1-CG2 4.23Å; L293-I352 HydrophobicContact CD2-CG2 3.87Å; L293-I352 HydrophobicContact CG-CG2 4.22Å; L293-E353 CarbonylContact C-O 3.58Å; L293-E353 WeakPolarHBondContact CA-O 3.49Å; L293-N354 HydrophobicContact CD2-CB 4.28Å; L293-F360 HydrophobicContact CD1-CD1 4.36Å; L293-F360 HydrophobicContact CD1-CD2 3.57Å; L293-F360 HydrophobicContact CD1-CE1 4.21Å; L293-F360 HydrophobicContact CD1-CE2 3.36Å; L293-F360 HydrophobicContact CD1-CG 4.07Å; L293-F360 HydrophobicContact CD1-CZ 3.72Å; L293-F360 HydrophobicContact CD2-CB 3.97Å; L293-F360 HydrophobicContact CD2-CD2 3.85Å; L293-F360 HydrophobicContact CD2-CG 3.88Å; L293-F360 HydrophobicContact CG-CD2 3.65Å; L293-F360 HydrophobicContact CG-CE2 3.92Å; L293-F360 HydrophobicContact CG-CG 4.19Å; L293-F384 HydrophobicContact CD1-CE2 3.87Å; L293-F384 HydrophobicContact CD1-CZ 4.29Å; L293-I434 HydrophobicContact CD2-CD1 4.1Å; L293-E475 VanDerWaalsContact CB-OE2 3.24Å; L293-E475 WeakPolarHBondContact CB-OE2 3.35Å; L293-E475 WeakPolarHBondContact CG-OE2 3.4Å; L293-E475 PolarHBondContact N-OE2 2.96Å; L293-N480 PolarHBondContact O-ND2 2.77Å
294	S	95.9	Very high	95.9	Very high	28 Å²	28	43.5 Å²	43.5	20%	0.196	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	108.6	179.1	-167.5	0	0	0	0	109.5	E353	S294-E353 PolarHBondContact N-O 2.04Å; S294-E353 PolarHBondContact O-N 2.87Å
295	P	96.6	Very high	96	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.032	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	140.3	175.7	29.4	-33.5	0	0	0	111.8	R297 I351 F467 N480 L483 F501	P295-R297 PolarHBondContact O-N 2.7Å; P295-R297 VanDerWaalsContact O-N 3.08Å; P295-I351 CarbonylContact C-O 3.42Å; P295-I351 WeakPolarHBondContact CA-O 3.45Å; P295-F467 HydrophobicContact CB-CD2 3.87Å; P295-F467 HydrophobicContact CB-CE2 3.37Å; P295-F467 HydrophobicContact CB-CZ 4.12Å; P295-F467 HydrophobicContact CG-CD2 3.9Å; P295-F467 HydrophobicContact CG-CE2 3.77Å; P295-N480 WeakPolarHBondContact CD-O 3.35Å; P295-L483 HydrophobicContact CB-CD1 3.94Å; P295-L483 HydrophobicContact CG-CD1 3.81Å; P295-L483 HydrophobicContact CG-CG 3.88Å; P295-F501 HydrophobicContact CG-CE1 4.06Å
296	D	96.9	Very high	96.2	Very high	50 Å²	50	45.7 Å²	45.7	27%	0.267	23%	0.232	S	C	.	.			trans	-73.8	101.4	175	-179.3	35.8	0	0	0	111	Y298 S299 L300 I351	D296-Y298 PolarHBondContact O-N 3.01Å; D296-Y298 PolarHBondContact OD1-N 2.73Å; D296-S299 PolarHBondContact O-N 3.02Å; D296-S299 WeakPolarHBondContact OD2-CB 3.48Å; D296-S299 PolarHBondContact OD2-N 2.77Å; D296-S299 PolarHBondContact OD2-OG 3.17Å; D296-L300 PolarHBondContact O-N 3.43Å; D296-I351 HydrophobicContact CB-CB 4.11Å; D296-I351 HydrophobicContact CB-CG2 4.46Å; D296-I351 PolarHBondContact N-O 3.24Å
297	R	96.7	Very high	96.3	Very high	116 Å²	116	47.6 Å²	47.6	44%	0.438	24%	0.238	S	C	.	.	H	α-helix	trans	-51.5	-42.7	175.9	177.7	-176.8	57.2	-125.7	4.2	112.7	P295 L300 E301 L483 C499	P295-R297 PolarHBondContact O-N 2.7Å; P295-R297 VanDerWaalsContact O-N 3.08Å; R297-L300 PolarHBondContact O-N 3.11Å; R297-E301 PolarHBondContact O-N 3.3Å; R297-E301 VanDerWaalsContact O-N 3.07Å; R297-L483 HydrophobicContact CB-CD1 4.36Å; R297-L483 HydrophobicContact CB-CD2 4.22Å; R297-L483 HydrophobicContact CG-CD2 4.45Å; R297-C499 WeakPolarHBondContact CD-O 3.37Å; R297-C499 HydrophobicContact CG-CB 3.65Å
298	Y	96.8	Very high	96.3	Very high	165 Å²	165	51.4 Å²	51.4	65%	0.647	25%	0.251	S	S	*	.	H	α-helix	trans	-69.2	-44	-171.7	-179.1	-99	0	0	0	111.6	D296 L300 E301 T302	D296-Y298 PolarHBondContact O-N 3.01Å; D296-Y298 PolarHBondContact OD1-N 2.73Å; Y298-L300 VanDerWaalsContact C-N 3.32Å; Y298-L300 PolarHBondContact O-N 2.92Å; Y298-E301 PolarHBondContact O-N 3Å; Y298-T302 HydrophobicContact CD1-CG2 4.49Å; Y298-T302 HydrophobicContact CD2-CG2 4.11Å; Y298-T302 HydrophobicContact CE1-CG2 4.12Å; Y298-T302 HydrophobicContact CE2-CG2 3.7Å; Y298-T302 HydrophobicContact CG-CG2 4.49Å; Y298-T302 WeakPolarHBondContact O-CB 3.35Å; Y298-T302 WeakPolarHBondContact O-CG2 3.2Å; Y298-T302 PolarHBondContact O-N 2.53Å; Y298-T302 VanDerWaalsContact O-N 3.11Å; Y298-T302 PolarHBondContact O-OG1 2.74Å
299	S	96.6	Very high	96.3	Very high	24 Å²	24	47.9 Å²	47.9	17%	0.168	23%	0.232	C	C	.	.	H	α-helix	trans	-60.7	-42.5	175.4	-65.9	0	0	0	0	111.7	D296 S303 I351	D296-S299 PolarHBondContact O-N 3.02Å; D296-S299 WeakPolarHBondContact OD2-CB 3.48Å; D296-S299 PolarHBondContact OD2-N 2.77Å; D296-S299 PolarHBondContact OD2-OG 3.17Å; S299-S303 WeakPolarHBondContact O-CB 3.4Å; S299-S303 PolarHBondContact O-N 2.64Å; S299-S303 VanDerWaalsContact O-N 3.09Å; S299-S303 PolarHBondContact O-OG 2.88Å; S299-I351 WeakPolarHBondContact OG-CD1 3.29Å
300	L	97.4	Very high	96.1	Very high	4 Å²	4	45.2 Å²	45.2	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-60.5	-49.2	176.9	-177.9	68.7	0	0	0	112.2	D296 R297 Y298 T302 F348 F463 V465 L483 L496	D296-L300 PolarHBondContact O-N 3.43Å; R297-L300 PolarHBondContact O-N 3.11Å; Y298-L300 VanDerWaalsContact C-N 3.32Å; Y298-L300 PolarHBondContact O-N 2.92Å; L300-T302 VanDerWaalsContact C-N 3.31Å; L300-T302 PolarHBondContact O-N 2.89Å; L300-F348 HydrophobicContact CD1-CB 4.09Å; L300-F348 HydrophobicContact CD1-CD2 3.43Å; L300-F348 VanDerWaalsContact CD1-CD2 3.43Å; L300-F348 HydrophobicContact CD1-CE2 4.19Å; L300-F348 HydrophobicContact CD1-CG 3.99Å; L300-F463 HydrophobicContact CD1-CE1 4.12Å; L300-V465 HydrophobicContact CD1-CG1 4.47Å; L300-V465 HydrophobicContact CD2-CG1 3.55Å; L300-L483 HydrophobicContact CD2-CB 4.06Å; L300-L483 HydrophobicContact CD2-CD1 3.71Å; L300-L496 HydrophobicContact CD1-CD1 4.27Å; L300-L496 HydrophobicContact CG-CD1 4.07Å
301	E	97.2	Very high	95.7	Very high	62 Å²	62	45 Å²	45	29%	0.29	22%	0.218	S	C	.	.	H	α-helix	trans	-66.2	-32.8	-174.5	-165	166.8	155.6	0	0	112.5	R297 Y298 L496 R497 Q498 C499	R297-E301 PolarHBondContact O-N 3.3Å; R297-E301 VanDerWaalsContact O-N 3.07Å; Y298-E301 PolarHBondContact O-N 3Å; E301-L496 VanDerWaalsContact CG-O 3.3Å; E301-L496 WeakPolarHBondContact CG-O 3.48Å; E301-R497 WeakPolarHBondContact OE1-CA 3.48Å; E301-Q498 PolarHBondContact OE1-N 2.87Å; E301-C499 WeakPolarHBondContact OE2-CB 3.34Å; E301-C499 PolarHBondContact OE2-N 3.36Å
302	T	96.9	Very high	95.2	Very high	84 Å²	84	51.6 Å²	51.6	52%	0.515	24%	0.242	S	C	.	.	H	α-helix	trans	-97.3	-17.5	-172.8	57.8	0	0	0	0	115.1	Y298 L300	Y298-T302 HydrophobicContact CD1-CG2 4.49Å; Y298-T302 HydrophobicContact CD2-CG2 4.11Å; Y298-T302 HydrophobicContact CE1-CG2 4.12Å; Y298-T302 HydrophobicContact CE2-CG2 3.7Å; Y298-T302 HydrophobicContact CG-CG2 4.49Å; Y298-T302 WeakPolarHBondContact O-CB 3.35Å; Y298-T302 WeakPolarHBondContact O-CG2 3.2Å; Y298-T302 PolarHBondContact O-N 2.53Å; Y298-T302 VanDerWaalsContact O-N 3.11Å; Y298-T302 PolarHBondContact O-OG1 2.74Å; L300-T302 VanDerWaalsContact C-N 3.31Å; L300-T302 PolarHBondContact O-N 2.89Å
303	S	97.1	Very high	95	Very high	18 Å²	18	55 Å²	55	13%	0.126	26%	0.26	C	S	.	.	H	α-helix	trans	-93.2	-5.9	-176.6	59.8	0	0	0	0	114.5	S299 Y305 S349	S299-S303 WeakPolarHBondContact O-CB 3.4Å; S299-S303 PolarHBondContact O-N 2.64Å; S299-S303 VanDerWaalsContact O-N 3.09Å; S299-S303 PolarHBondContact O-OG 2.88Å; S303-Y305 WeakPolarHBondContact O-CD1 3.42Å; S303-Y305 PolarHBondContact O-N 2.76Å; S303-S349 PolarHBondContact OG-N 2.77Å
304	A	97.2	Very high	94.7	Very high	17 Å²	17	55 Å²	55	14%	0.14	26%	0.26	C	S	.	.			trans	-70.9	128.8	-173.7	0	0	0	0	0	112.4	R347 F348 L496	A304-R347 CarbonylContact C-O 3.54Å; A304-R347 WeakPolarHBondContact CA-O 3.35Å; A304-F348 HydrophobicContact CB-CB 4.39Å; A304-L496 HydrophobicContact CB-CB 4.41Å; A304-L496 HydrophobicContact CB-CD1 3.88Å; A304-L496 HydrophobicContact CB-CG 3.75Å
305	Y	96.5	Very high	94.3	Very high	77 Å²	77	59 Å²	59	30%	0.302	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	166.4	172.3	71.2	-83.8	0	0	0	112.2	S303 Q307 M346 R347 H444	S303-Y305 WeakPolarHBondContact O-CD1 3.42Å; S303-Y305 PolarHBondContact O-N 2.76Å; Y305-Q307 HydrophobicContact CE2-CB 4Å; Y305-M346 CarbonylContact O-C 3.47Å; Y305-M346 WeakPolarHBondContact O-CA 3.43Å; Y305-R347 HydrophobicContact CD1-CB 4.07Å; Y305-R347 HydrophobicContact CE1-CB 3.64Å; Y305-R347 HydrophobicContact CE2-CB 4.21Å; Y305-R347 PolarHBondContact N-O 3.12Å; Y305-R347 PolarHBondContact O-N 3.28Å; Y305-R347 WeakPolarHBondContact OH-CD 3.03Å; Y305-H444 HydrophobicContact CE1-CB 3.89Å; Y305-H444 AromaticContact CE1-CG 3.71Å; Y305-H444 AromaticContact CE1-ND1 3.63Å
306	I	96.2	Very high	93.8	Very high	23 Å²	23	60.2 Å²	60.2	12%	0.118	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	132.4	174.7	-70.8	-176.3	0	0	0	110.4	T344 L345 I453 H489 T493 A494	I306-T344 HydrophobicContact CD1-CG2 4.39Å; I306-T344 HydrophobicContact CG2-CG2 3.52Å; I306-L345 WeakPolarHBondContact CA-O 3.42Å; I306-I453 HydrophobicContact CD1-CD1 3.79Å; I306-I453 HydrophobicContact CG1-CD1 4.13Å; I306-H489 WeakPolarHBondContact CD1-CE1 3.32Å; I306-H489 WeakPolarHBondContact CD1-ND1 3.3Å; I306-T493 WeakPolarHBondContact CD1-O 3.09Å; I306-A494 HydrophobicContact CD1-CB 3.96Å; I306-A494 HydrophobicContact CG1-CB 3.79Å
307	Q	95.3	Very high	93.5	Very high	67 Å²	67	57.9 Å²	57.9	31%	0.313	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	136.2	166.5	-164	-177.5	25.2	0	0	110.3	Y305 M309 L345 R347	Y305-Q307 HydrophobicContact CE2-CB 4Å; Q307-M309 HydrophobicContact CG-CG 3.95Å; Q307-M309 HydrophobicContact CG-SD 4.48Å; Q307-M309 PolarHBondContact OE1-SD 2.83Å; Q307-L345 PolarHBondContact N-O 2.76Å; Q307-L345 PolarHBondContact O-N 3.38Å; Q307-R347 VanDerWaalsContact OE1-CD 3.28Å
308	K	92.7	Very high	93	Very high	129 Å²	129	53.4 Å²	53.4	56%	0.561	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	126.6	168.2	-71.4	-172.5	176.4	-170.3	0	109.4	T342 R343	K308-T342 HydrophobicContact CB-CG2 3.81Å; K308-T342 HydrophobicContact CD-CG2 4.37Å; K308-T342 HydrophobicContact CG-CG2 4.33Å; K308-R343 VanDerWaalsContact CA-O 3.29Å; K308-R343 WeakPolarHBondContact CA-O 3.05Å
309	M	93	Very high	92.4	Very high	23 Å²	23	51.3 Å²	51.3	11%	0.113	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	143.2	-179.8	-67	-172.6	68.5	0	0	110.5	Q307 L313 L314 T342 R343 L345	Q307-M309 HydrophobicContact CG-CG 3.95Å; Q307-M309 HydrophobicContact CG-SD 4.48Å; Q307-M309 PolarHBondContact OE1-SD 2.83Å; M309-L313 HydrophobicContact CE-CB 3.65Å; M309-L314 HydrophobicContact CB-CD1 4.12Å; M309-L314 HydrophobicContact CB-CD2 4.26Å; M309-L314 HydrophobicContact CB-CG 4.16Å; M309-L314 HydrophobicContact CE-CD2 3.7Å; M309-L314 HydrophobicContact CE-CG 4.33Å; M309-L314 HydrophobicContact SD-CD2 3.79Å; M309-T342 CarbonylContact O-C 3.6Å; M309-T342 WeakPolarHBondContact O-CA 3.4Å; M309-R343 PolarHBondContact N-O 2.92Å; M309-R343 PolarHBondContact O-N 3.49Å; M309-L345 HydrophobicContact CB-CD1 4.27Å; M309-L345 HydrophobicContact CG-CD1 4.24Å; M309-L345 HydrophobicContact SD-CD1 3.89Å
310	S	91.6	Very high	91.7	Very high	24 Å²	24	50.5 Å²	50.5	17%	0.168	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	151.3	169.5	57.6	0	0	0	0	110.3	W312 L313 M341	S310-W312 PolarHBondContact O-N 3.41Å; S310-L313 PolarHBondContact O-N 2.99Å; S310-M341 CarbonylContact C-O 3.55Å; S310-M341 WeakPolarHBondContact CA-O 3.34Å
311	L	89.4	Confident	91.1	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-57.8	-28.5	174.6	-72.6	-179.6	0	0	0	112.6	L313 L314 L323 V327 I331 Y338 T339 M341 R343	L311-L313 PolarHBondContact O-N 3.41Å; L311-L314 HydrophobicContact CD2-CD1 4.34Å; L311-L314 PolarHBondContact O-N 2.88Å; L311-L323 HydrophobicContact CD2-CD1 3.85Å; L311-V327 HydrophobicContact CD1-CG1 3.94Å; L311-V327 HydrophobicContact CD2-CG1 3.74Å; L311-I331 HydrophobicContact CD1-CG1 4.48Å; L311-Y338 HydrophobicContact CB-CD2 4.11Å; L311-Y338 HydrophobicContact CD1-CD2 3.96Å; L311-T339 PolarHBondContact N-O 2.87Å; L311-M341 HydrophobicContact CD1-CB 3.95Å; L311-M341 HydrophobicContact CG-CB 4.28Å; L311-M341 PolarHBondContact N-O 2.91Å; L311-R343 HydrophobicContact CD2-CG 3.7Å; L311-R343 HydrophobicContact CG-CG 4.26Å
312	W	87.2	Confident	90.6	Very high	143 Å²	143	52.4 Å²	52.4	54%	0.542	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-58.8	-30.6	171.8	-177.7	61.7	0	0	0	114.2	S310 L314 T339	S310-W312 PolarHBondContact O-N 3.41Å; W312-L314 VanDerWaalsContact C-N 3.31Å; W312-T339 WeakPolarHBondContact CB-O 3.5Å; W312-T339 PolarHBondContact N-O 3.08Å
313	L	91	Very high	90.3	Very high	94 Å²	94	48.7 Å²	48.7	49%	0.492	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-89.2	1.6	177.1	-68.3	172.4	0	0	0	112.9	M309 S310 L311	M309-L313 HydrophobicContact CE-CB 3.65Å; S310-L313 PolarHBondContact O-N 2.99Å; L311-L313 PolarHBondContact O-N 3.41Å
314	L	90.9	Very high	89.7	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-117.8	26.3	-174.3	-64.2	174	0	0	0	111.5	M309 L311 W312 C316 A317 L318 L323 R343 L345 W450	M309-L314 HydrophobicContact CB-CD1 4.12Å; M309-L314 HydrophobicContact CB-CD2 4.26Å; M309-L314 HydrophobicContact CB-CG 4.16Å; M309-L314 HydrophobicContact CE-CD2 3.7Å; M309-L314 HydrophobicContact CE-CG 4.33Å; M309-L314 HydrophobicContact SD-CD2 3.79Å; L311-L314 HydrophobicContact CD2-CD1 4.34Å; L311-L314 PolarHBondContact O-N 2.88Å; W312-L314 VanDerWaalsContact C-N 3.31Å; L314-C316 VanDerWaalsContact C-N 3.35Å; L314-C316 PolarHBondContact O-N 2.98Å; L314-A317 HydrophobicContact CB-CB 4.26Å; L314-A317 HydrophobicContact CD2-CB 4.4Å; L314-A317 PolarHBondContact O-N 2.86Å; L314-L318 WeakPolarHBondContact O-CG 3.17Å; L314-L318 PolarHBondContact O-N 3.03Å; L314-L323 HydrophobicContact CD1-CD2 4.43Å; L314-R343 HydrophobicContact CD1-CB 4.39Å; L314-R343 HydrophobicContact CD1-CG 4.28Å; L314-L345 HydrophobicContact CD1-CD1 4.2Å; L314-L345 HydrophobicContact CD2-CD1 3.96Å; L314-W450 HydrophobicContact CD2-CZ2 4.31Å
315	E	87.3	Confident	88.9	Confident	112 Å²	112	55.8 Å²	55.8	52%	0.523	27%	0.271	S	S	.	.	H	α-helix	trans	-56.2	-47.4	-178.8	-71.4	177.1	177.2	0	0	111.6	A317 L318 E319	E315-A317 PolarHBondContact O-N 3.11Å; E315-L318 WeakPolarHBondContact O-CB 3.34Å; E315-L318 PolarHBondContact O-N 2.89Å; E315-E319 PolarHBondContact O-N 3Å
316	C	86.7	Confident	87.9	Confident	32 Å²	32	53.6 Å²	53.6	22%	0.216	27%	0.265	C	S	.	.	H	α-helix	trans	-63.7	-43.2	176	-71.7	0	0	0	0	112.6	L314 L318 E319 E320 C374	L314-C316 VanDerWaalsContact C-N 3.35Å; L314-C316 PolarHBondContact O-N 2.98Å; C316-L318 PolarHBondContact O-N 2.84Å; C316-E319 PolarHBondContact O-N 2.81Å; C316-E320 WeakPolarHBondContact O-CB 3.43Å; C316-E320 WeakPolarHBondContact O-CG 3.1Å; C316-E320 PolarHBondContact O-N 2.82Å; C316-C374 WeakPolarHBondContact CA-SG 3.5Å; C316-C374 HydrophobicContact CB-CB 3.6Å; C316-C374 WeakPolarHBondContact CB-SG 3.43Å; C316-C374 WeakPolarHBondContact SG-CB 3.47Å; C316-C374 CovalentContact SG-SG 2.04Å; C316-C374 PolarHBondContact SG-SG 3.34Å
317	A	89.5	Confident	87.4	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64.3	-26.8	176.4	0	0	0	0	0	113.7	L314 E315 N321 C322 W450	L314-A317 HydrophobicContact CB-CB 4.26Å; L314-A317 HydrophobicContact CD2-CB 4.4Å; L314-A317 PolarHBondContact O-N 2.86Å; E315-A317 PolarHBondContact O-N 3.11Å; A317-N321 PolarHBondContact O-N 3.2Å; A317-C322 HydrophobicContact CB-CB 4.19Å; A317-C322 WeakPolarHBondContact O-CB 3.42Å; A317-C322 PolarHBondContact O-N 3.03Å; A317-W450 HydrophobicContact CB-CH2 4.35Å; A317-W450 HydrophobicContact CB-CZ2 3.71Å
318	L	87	Confident	86.8	Confident	23 Å²	23	51.7 Å²	51.7	12%	0.12	25%	0.254	C	S	.	.	H	α-helix	trans	-71.9	-47	172.2	-78.8	165.7	0	0	0	111.3	L314 E315 C316 E320 N321 L323 V327 Y328 I331 Y338	L314-L318 WeakPolarHBondContact O-CG 3.17Å; L314-L318 PolarHBondContact O-N 3.03Å; E315-L318 WeakPolarHBondContact O-CB 3.34Å; E315-L318 PolarHBondContact O-N 2.89Å; C316-L318 PolarHBondContact O-N 2.84Å; L318-E320 PolarHBondContact O-N 2.84Å; L318-N321 PolarHBondContact O-N 2.8Å; L318-L323 HydrophobicContact CD2-CD1 3.34Å; L318-L323 HydrophobicContact CG-CD1 3.58Å; L318-V327 HydrophobicContact CD2-CG1 4.2Å; L318-Y328 HydrophobicContact CD2-CD1 4.29Å; L318-Y328 HydrophobicContact CD2-CE1 3.69Å; L318-Y328 PolarHBondContact O-OH 2.84Å; L318-I331 HydrophobicContact CD1-CD1 4.07Å; L318-I331 HydrophobicContact CD2-CD1 3.42Å; L318-I331 VanDerWaalsContact CD2-CD1 3.42Å; L318-I331 HydrophobicContact CG-CD1 4.43Å; L318-Y338 HydrophobicContact CD1-CE2 4.44Å
319	E	83.4	Confident	86.1	Confident	121 Å²	121	51.4 Å²	51.4	57%	0.565	25%	0.249	S	C	*	.	H	α-helix	trans	-59.4	-36	175.7	-69.5	-175.9	174.7	0	0	111.5	E315 C316 N321 H372	E315-E319 PolarHBondContact O-N 3Å; C316-E319 PolarHBondContact O-N 2.81Å; E319-N321 VanDerWaalsContact C-N 3.31Å; E319-N321 PolarHBondContact O-N 2.85Å; E319-H372 IonicContact OE2-CE1 2.62Å
320	E	83	Confident	85.3	Confident	7 Å²	7	51.9 Å²	51.9	3%	0.033	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	5.5	-177.7	-64.1	-177.1	160	0	0	114.3	C316 L318 C322 H372 H375 S403 S404 C448	C316-E320 WeakPolarHBondContact O-CB 3.43Å; C316-E320 WeakPolarHBondContact O-CG 3.1Å; C316-E320 PolarHBondContact O-N 2.82Å; L318-E320 PolarHBondContact O-N 2.84Å; E320-C322 VanDerWaalsContact C-N 3.27Å; E320-C322 VanDerWaalsContact CB-SG 3.56Å; E320-C322 PolarHBondContact O-N 2.88Å; E320-H372 WeakPolarHBondContact CG-CE1 3.47Å; E320-H372 WeakPolarHBondContact CG-NE2 3.33Å; E320-H372 IonicContact OE1-CE1 2.78Å; E320-H372 PolarHBondContact OE1-CE1 3.3Å; E320-H372 VanDerWaalsContact OE1-CE1 3.23Å; E320-H372 IonicContact OE1-CG 3.91Å; E320-H372 IonicContact OE1-ND1 3.68Å; E320-H372 PolarHBondContact OE1-ND1 3.21Å; E320-H375 VanDerWaalsContact CD-CE1 3.48Å; E320-H375 IonicContact OE1-CE1 3.16Å; E320-H375 PolarHBondContact OE1-CE1 2.96Å; E320-H375 IonicContact OE1-CG 2.72Å; E320-H375 IonicContact OE1-ND1 3.31Å; E320-H375 PolarHBondContact OE1-ND1 2.84Å; E320-H375 VanDerWaalsContact OE1-ND1 3.15Å; E320-H375 IonicContact OE1-NE2 2.97Å; E320-H375 IonicContact OE2-CE1 3.82Å; E320-H375 PolarHBondContact OE2-CE1 2.03Å; E320-H375 IonicContact OE2-ND1 3.08Å; E320-S403 WeakPolarHBondContact O-CB 3.18Å; E320-S403 PolarHBondContact O-OG 3.01Å; E320-S404 WeakPolarHBondContact CG-OG 3.46Å; E320-S404 WeakPolarHBondContact OE1-CB 3.41Å; E320-S404 PolarHBondContact OE1-OG 2.78Å; E320-S404 VanDerWaalsContact OE2-CB 3.22Å; E320-S404 WeakPolarHBondContact OE2-CB 3.13Å; E320-S404 PolarHBondContact OE2-OG 3.02Å; E320-C448 PolarHBondContact OE2-SG 3.23Å
321	N	83.8	Confident	84.8	Confident	101 Å²	101	52 Å²	52	54%	0.54	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	29.4	179.3	-63.6	-70.1	0	0	0	115.1	A317 L318 E319 Y328 H401	A317-N321 PolarHBondContact O-N 3.2Å; L318-N321 PolarHBondContact O-N 2.8Å; E319-N321 VanDerWaalsContact C-N 3.31Å; E319-N321 PolarHBondContact O-N 2.85Å; N321-Y328 WeakPolarHBondContact CA-OH 3.18Å; N321-H401 PolarHBondContact O-CE1 2.86Å
322	C	88.2	Confident	84.2	Confident	5 Å²	5	58 Å²	58	3%	0.034	28%	0.283	C	S	.	.			trans	-82.6	-20.4	-174.1	-57.3	0	0	0	0	114.2	A317 E320 S403 C448 W450	A317-C322 HydrophobicContact CB-CB 4.19Å; A317-C322 WeakPolarHBondContact O-CB 3.42Å; A317-C322 PolarHBondContact O-N 3.03Å; E320-C322 VanDerWaalsContact C-N 3.27Å; E320-C322 VanDerWaalsContact CB-SG 3.56Å; E320-C322 PolarHBondContact O-N 2.88Å; C322-S403 VanDerWaalsContact SG-CB 3.51Å; C322-C448 HydrophobicContact CB-CB 3.71Å; C322-C448 WeakPolarHBondContact CB-SG 3.42Å; C322-C448 WeakPolarHBondContact SG-CB 3.41Å; C322-C448 CovalentContact SG-SG 2Å; C322-C448 PolarHBondContact SG-SG 3.03Å; C322-W450 HydrophobicContact CB-CH2 4.1Å; C322-W450 HydrophobicContact CB-CZ2 4.31Å
323	L	88.8	Confident	83.7	Confident	6 Å²	6	57.3 Å²	57.3	3%	0.031	29%	0.289	C	S	.	.	S	Bend	trans	-80	155	176	-70.7	155.4	0	0	0	111.2	L311 L314 L318 V327 Y328 R343 W450	L311-L323 HydrophobicContact CD2-CD1 3.85Å; L314-L323 HydrophobicContact CD1-CD2 4.43Å; L318-L323 HydrophobicContact CD2-CD1 3.34Å; L318-L323 HydrophobicContact CG-CD1 3.58Å; L323-V327 HydrophobicContact CB-CB 4.05Å; L323-V327 HydrophobicContact CB-CG1 4.26Å; L323-V327 HydrophobicContact CB-CG2 4.18Å; L323-V327 HydrophobicContact CD1-CG1 4.06Å; L323-V327 HydrophobicContact CD2-CG2 4.36Å; L323-Y328 HydrophobicContact CB-CE2 4.27Å; L323-Y328 WeakPolarHBondContact O-CE2 3.34Å; L323-R343 HydrophobicContact CD2-CG 4.36Å; L323-W450 HydrophobicContact CD2-CH2 3.61Å; L323-W450 HydrophobicContact CD2-CZ3 4.09Å; L323-W450 HydrophobicContact CG-CH2 3.85Å
324	P	85.2	Confident	82.9	Confident	38 Å²	38	55.6 Å²	55.6	25%	0.247	28%	0.28	C	S	.	.			trans	-67	150.7	175.7	24.4	-30.7	0	0	0	111.8	I326 V327 D452	P324-I326 HydrophobicContact CB-CG2 4.02Å; P324-I326 HydrophobicContact CG-CG2 3.84Å; P324-I326 PolarHBondContact O-N 2.93Å; P324-V327 HydrophobicContact CG-CG2 4.07Å; P324-V327 WeakPolarHBondContact O-CB 3.17Å; P324-V327 PolarHBondContact O-N 3.22Å; P324-D452 HydrophobicContact CG-CB 4.16Å
325	D	80.1	Confident	82.2	Confident	145 Å²	145	58.8 Å²	58.8	78%	0.775	30%	0.301	S	S	*	.	H	α-helix	trans	-45.5	-33	-179.6	-70.4	-4.4	0	0	0	114.3	V327 Y328 R329	D325-V327 PolarHBondContact O-N 2.93Å; D325-Y328 PolarHBondContact O-N 3.08Å; D325-R329 PolarHBondContact O-N 3.34Å; D325-R329 VanDerWaalsContact O-N 3.13Å
326	I	76.5	Confident	81.6	Confident	32 Å²	32	64 Å²	64	16%	0.164	32%	0.318	C	S	.	.	H	α-helix	trans	-57.6	-34.9	178.5	-163	59.1	0	0	0	113.1	Q145 P324 R329 I330	Q145-I326 HydrophobicContact CG-CD1 4.31Å; P324-I326 HydrophobicContact CB-CG2 4.02Å; P324-I326 HydrophobicContact CG-CG2 3.84Å; P324-I326 PolarHBondContact O-N 2.93Å; I326-R329 PolarHBondContact O-N 3.26Å; I326-I330 HydrophobicContact CG1-CD1 4.32Å; I326-I330 WeakPolarHBondContact O-CD1 3.4Å; I326-I330 WeakPolarHBondContact O-CG1 3.4Å; I326-I330 PolarHBondContact O-N 2.73Å
327	V	84.4	Confident	81	Confident	1 Å²	1	66.6 Å²	66.6	1%	0.006	33%	0.329	C	S	.	.	H	α-helix	trans	-70.1	-44.1	-179.5	177.2	0	0	0	0	110.6	L311 L318 L323 P324 D325 R329 I330 I331	L311-V327 HydrophobicContact CD1-CG1 3.94Å; L311-V327 HydrophobicContact CD2-CG1 3.74Å; L318-V327 HydrophobicContact CD2-CG1 4.2Å; L323-V327 HydrophobicContact CB-CB 4.05Å; L323-V327 HydrophobicContact CB-CG1 4.26Å; L323-V327 HydrophobicContact CB-CG2 4.18Å; L323-V327 HydrophobicContact CD1-CG1 4.06Å; L323-V327 HydrophobicContact CD2-CG2 4.36Å; P324-V327 HydrophobicContact CG-CG2 4.07Å; P324-V327 WeakPolarHBondContact O-CB 3.17Å; P324-V327 PolarHBondContact O-N 3.22Å; D325-V327 PolarHBondContact O-N 2.93Å; V327-R329 VanDerWaalsContact C-N 3.32Å; V327-R329 PolarHBondContact O-N 3.18Å; V327-I330 WeakPolarHBondContact O-CB 3.33Å; V327-I330 PolarHBondContact O-N 2.62Å; V327-I330 VanDerWaalsContact O-N 3.08Å; V327-I331 HydrophobicContact CG1-CD1 4.08Å; V327-I331 WeakPolarHBondContact O-CG1 3.39Å; V327-I331 PolarHBondContact O-N 2.76Å
328	Y	83.4	Confident	80.5	Confident	48 Å²	48	69.3 Å²	69.3	19%	0.188	34%	0.34	C	S	.	.	H	α-helix	trans	-62	-42.2	175.9	-58.4	-74.9	0	0	0	111.4	L318 N321 L323 D325 I330 I331 D332	L318-Y328 HydrophobicContact CD2-CD1 4.29Å; L318-Y328 HydrophobicContact CD2-CE1 3.69Å; L318-Y328 PolarHBondContact O-OH 2.84Å; N321-Y328 WeakPolarHBondContact CA-OH 3.18Å; L323-Y328 HydrophobicContact CB-CE2 4.27Å; L323-Y328 WeakPolarHBondContact O-CE2 3.34Å; D325-Y328 PolarHBondContact O-N 3.08Å; Y328-I330 VanDerWaalsContact C-N 3.26Å; Y328-I330 PolarHBondContact O-N 2.94Å; Y328-I331 PolarHBondContact O-N 2.75Å; Y328-I331 VanDerWaalsContact O-N 3.12Å; Y328-D332 PolarHBondContact O-N 2.77Å
329	R	78.6	Confident	80.1	Confident	123 Å²	123	69.9 Å²	69.9	46%	0.464	34%	0.344	S	S	.	.	H	α-helix	trans	-60.5	-35.8	173.9	-170.2	178.9	73.7	-176.2	9.2	112.6	D325 I326 V327 N333	D325-R329 PolarHBondContact O-N 3.34Å; D325-R329 VanDerWaalsContact O-N 3.13Å; I326-R329 PolarHBondContact O-N 3.26Å; V327-R329 VanDerWaalsContact C-N 3.32Å; V327-R329 PolarHBondContact O-N 3.18Å; R329-N333 WeakPolarHBondContact O-CB 3.16Å; R329-N333 PolarHBondContact O-N 3.29Å; R329-N333 PolarHBondContact O-ND2 2.72Å
330	I	75.1	Confident	79.8	Confident	33 Å²	33	72.9 Å²	72.9	17%	0.169	35%	0.351	C	S	.	.	H	α-helix	trans	-67.7	-42.9	176	-72.6	161.7	0	0	0	110.7	I326 V327 Y328 N333 N334 M341	I326-I330 HydrophobicContact CG1-CD1 4.32Å; I326-I330 WeakPolarHBondContact O-CD1 3.4Å; I326-I330 WeakPolarHBondContact O-CG1 3.4Å; I326-I330 PolarHBondContact O-N 2.73Å; V327-I330 WeakPolarHBondContact O-CB 3.33Å; V327-I330 PolarHBondContact O-N 2.62Å; V327-I330 VanDerWaalsContact O-N 3.08Å; Y328-I330 VanDerWaalsContact C-N 3.26Å; Y328-I330 PolarHBondContact O-N 2.94Å; I330-N333 PolarHBondContact O-N 2.93Å; I330-N334 PolarHBondContact O-N 2.67Å; I330-M341 HydrophobicContact CD1-CE 4.07Å; I330-M341 HydrophobicContact CG2-CE 3.65Å; I330-M341 HydrophobicContact CG2-SD 3.39Å; I330-M341 WeakPolarHBondContact CG2-SD 3.47Å
331	I	80.7	Confident	79.7	Confident	26 Å²	26	74.4 Å²	74.4	13%	0.133	36%	0.358	C	S	.	.	H	α-helix	trans	-62.1	-47.6	178.3	-67.1	170.2	0	0	0	110.4	L311 L318 V327 Y328 N333 N334 P335 Y338	L311-I331 HydrophobicContact CD1-CG1 4.48Å; L318-I331 HydrophobicContact CD1-CD1 4.07Å; L318-I331 HydrophobicContact CD2-CD1 3.42Å; L318-I331 VanDerWaalsContact CD2-CD1 3.42Å; L318-I331 HydrophobicContact CG-CD1 4.43Å; V327-I331 HydrophobicContact CG1-CD1 4.08Å; V327-I331 WeakPolarHBondContact O-CG1 3.39Å; V327-I331 PolarHBondContact O-N 2.76Å; Y328-I331 PolarHBondContact O-N 2.75Å; Y328-I331 VanDerWaalsContact O-N 3.12Å; I331-N333 PolarHBondContact O-N 3.31Å; I331-N334 CarbonylContact O-C 3.6Å; I331-N334 PolarHBondContact O-N 2.79Å; I331-P335 WeakPolarHBondContact O-CA 3.36Å; I331-P335 VanDerWaalsContact O-N 3.07Å; I331-Y338 HydrophobicContact CB-CD1 4.43Å; I331-Y338 HydrophobicContact CB-CG 4.38Å; I331-Y338 HydrophobicContact CD1-CD2 4.03Å; I331-Y338 HydrophobicContact CD1-CE2 4.13Å; I331-Y338 HydrophobicContact CG1-CD1 4.24Å; I331-Y338 HydrophobicContact CG1-CD2 3.7Å; I331-Y338 HydrophobicContact CG1-CE2 4.18Å; I331-Y338 HydrophobicContact CG1-CG 3.73Å; I331-Y338 HydrophobicContact CG2-CD1 3.92Å; I331-Y338 HydrophobicContact CG2-CE1 3.87Å; I331-Y338 HydrophobicContact CG2-CG 4.29Å
332	D	77.9	Confident	79.8	Confident	129 Å²	129	72 Å²	72	69%	0.69	35%	0.347	S	S	*	.	H	α-helix	trans	-58.3	-36.7	178.5	-70.9	-18.8	0	0	0	112.3	Y328	Y328-D332 PolarHBondContact O-N 2.77Å
333	N	76.2	Confident	80	Confident	128 Å²	128	72 Å²	72	68%	0.684	35%	0.347	S	S	*	.	H	α-helix	trans	-82.4	-16.2	178.6	-71.7	-47.8	0	0	0	113.7	R329 I330 I331	R329-N333 WeakPolarHBondContact O-CB 3.16Å; R329-N333 PolarHBondContact O-N 3.29Å; R329-N333 PolarHBondContact O-ND2 2.72Å; I330-N333 PolarHBondContact O-N 2.93Å; I331-N333 PolarHBondContact O-N 3.31Å
334	N	75.2	Confident	80.1	Confident	57 Å²	57	72.5 Å²	72.5	31%	0.305	35%	0.35	S	S	.	.			trans	-146.5	62.1	-176.3	-171.8	12.7	0	0	0	112.7	I330 I331 Y336 N337 Y338	I330-N334 PolarHBondContact O-N 2.67Å; I331-N334 CarbonylContact O-C 3.6Å; I331-N334 PolarHBondContact O-N 2.79Å; N334-Y336 PolarHBondContact O-N 2.95Å; N334-Y336 VanDerWaalsContact O-N 3.08Å; N334-N337 PolarHBondContact O-N 3.12Å; N334-N337 WeakPolarHBondContact OD1-CB 3.37Å; N334-Y338 WeakPolarHBondContact O-CD1 3.43Å; N334-Y338 PolarHBondContact O-N 2.66Å
335	P	74.7	Confident	80.6	Confident	67 Å²	67	70.7 Å²	70.7	44%	0.435	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-18	-169.2	25	-35.1	0	0	0	114.2	I331 Y338	I331-P335 WeakPolarHBondContact O-CA 3.36Å; I331-P335 VanDerWaalsContact O-N 3.07Å; P335-Y338 WeakPolarHBondContact O-CD1 3.46Å; P335-Y338 WeakPolarHBondContact O-CE1 3.48Å
336	Y	76.1	Confident	81.4	Confident	221 Å²	221	63.8 Å²	63.8	87%	0.867	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-8.4	-175.4	-58.5	-67	0	0	0	114.5	N334	N334-Y336 PolarHBondContact O-N 2.95Å; N334-Y336 VanDerWaalsContact O-N 3.08Å
337	N	74	Confident	82.4	Confident	87 Å²	87	62.5 Å²	62.5	47%	0.465	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.8	14.3	-171.7	-158	20.2	0	0	0	114.2	N334	N334-N337 PolarHBondContact O-N 3.12Å; N334-N337 WeakPolarHBondContact OD1-CB 3.37Å
338	Y	78.9	Confident	83	Confident	58 Å²	58	62.5 Å²	62.5	23%	0.227	29%	0.294	C	S	.	.			trans	-76.2	-24.7	177.3	71	-94.4	0	0	0	113.2	L311 L318 I331 N334 P335 W340 M341	L311-Y338 HydrophobicContact CB-CD2 4.11Å; L311-Y338 HydrophobicContact CD1-CD2 3.96Å; L318-Y338 HydrophobicContact CD1-CE2 4.44Å; I331-Y338 HydrophobicContact CB-CD1 4.43Å; I331-Y338 HydrophobicContact CB-CG 4.38Å; I331-Y338 HydrophobicContact CD1-CD2 4.03Å; I331-Y338 HydrophobicContact CD1-CE2 4.13Å; I331-Y338 HydrophobicContact CG1-CD1 4.24Å; I331-Y338 HydrophobicContact CG1-CD2 3.7Å; I331-Y338 HydrophobicContact CG1-CE2 4.18Å; I331-Y338 HydrophobicContact CG1-CG 3.73Å; I331-Y338 HydrophobicContact CG2-CD1 3.92Å; I331-Y338 HydrophobicContact CG2-CE1 3.87Å; I331-Y338 HydrophobicContact CG2-CG 4.29Å; N334-Y338 WeakPolarHBondContact O-CD1 3.43Å; N334-Y338 PolarHBondContact O-N 2.66Å; P335-Y338 WeakPolarHBondContact O-CD1 3.46Å; P335-Y338 WeakPolarHBondContact O-CE1 3.48Å; Y338-W340 PolarHBondContact O-N 2.54Å; Y338-W340 VanDerWaalsContact O-N 3.09Å; Y338-M341 WeakPolarHBondContact O-CB 3.47Å; Y338-M341 VanDerWaalsContact O-CG 3.3Å; Y338-M341 WeakPolarHBondContact O-CG 3.48Å; Y338-M341 PolarHBondContact O-N 2.71Å
339	T	78.9	Confident	83.6	Confident	34 Å²	34	60.5 Å²	60.5	21%	0.209	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-32.5	-168.6	50.8	0	0	0	0	113.9	L311 W312 M341	L311-T339 PolarHBondContact N-O 2.87Å; W312-T339 WeakPolarHBondContact CB-O 3.5Å; W312-T339 PolarHBondContact N-O 3.08Å; T339-M341 VanDerWaalsContact C-N 3.34Å
340	W	77.3	Confident	84.4	Confident	185 Å²	185	54.9 Å²	54.9	70%	0.701	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-6.2	179.8	-50.3	105.5	0	0	0	114	Y338 T342	Y338-W340 PolarHBondContact O-N 2.54Å; Y338-W340 VanDerWaalsContact O-N 3.09Å; W340-T342 PolarHBondContact O-N 3.05Å
341	M	80.1	Confident	85.4	Confident	39 Å²	39	54.1 Å²	54.1	19%	0.192	26%	0.263	C	S	.	.			trans	-65.6	122.8	178.8	-66.6	-175	58.3	0	0	109.9	S310 L311 I330 Y338 T339	S310-M341 CarbonylContact C-O 3.55Å; S310-M341 WeakPolarHBondContact CA-O 3.34Å; L311-M341 HydrophobicContact CD1-CB 3.95Å; L311-M341 HydrophobicContact CG-CB 4.28Å; L311-M341 PolarHBondContact N-O 2.91Å; I330-M341 HydrophobicContact CD1-CE 4.07Å; I330-M341 HydrophobicContact CG2-CE 3.65Å; I330-M341 HydrophobicContact CG2-SD 3.39Å; I330-M341 WeakPolarHBondContact CG2-SD 3.47Å; Y338-M341 WeakPolarHBondContact O-CB 3.47Å; Y338-M341 VanDerWaalsContact O-CG 3.3Å; Y338-M341 WeakPolarHBondContact O-CG 3.48Å; Y338-M341 PolarHBondContact O-N 2.71Å; T339-M341 VanDerWaalsContact C-N 3.34Å
342	T	86.4	Confident	86.2	Confident	49 Å²	49	52.9 Å²	52.9	30%	0.301	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	134.9	178.9	-57.8	0	0	0	0	110.4	K308 M309 W340	K308-T342 HydrophobicContact CB-CG2 3.81Å; K308-T342 HydrophobicContact CD-CG2 4.37Å; K308-T342 HydrophobicContact CG-CG2 4.33Å; M309-T342 CarbonylContact O-C 3.6Å; M309-T342 WeakPolarHBondContact O-CA 3.4Å; W340-T342 PolarHBondContact O-N 3.05Å
343	R	90.9	Very high	87.1	Confident	7 Å²	7	47.9 Å²	47.9	3%	0.026	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	145.4	171.5	-52.5	-53.7	-62.9	164.6	-3.3	109.7	K308 M309 L311 L314 L323 L345 D452 T454 D455	K308-R343 VanDerWaalsContact CA-O 3.29Å; K308-R343 WeakPolarHBondContact CA-O 3.05Å; M309-R343 PolarHBondContact N-O 2.92Å; M309-R343 PolarHBondContact O-N 3.49Å; L311-R343 HydrophobicContact CD2-CG 3.7Å; L311-R343 HydrophobicContact CG-CG 4.26Å; L314-R343 HydrophobicContact CD1-CB 4.39Å; L314-R343 HydrophobicContact CD1-CG 4.28Å; L323-R343 HydrophobicContact CD2-CG 4.36Å; R343-L345 HydrophobicContact CB-CD2 3.88Å; R343-D452 IonicContact CZ-OD1 2.81Å; R343-D452 IonicContact CZ-OD2 2.81Å; R343-D452 VanDerWaalsContact CZ-OD2 3.23Å; R343-D452 IonicContact NE-OD1 2.82Å; R343-D452 IonicContact NE-OD2 3.18Å; R343-D452 PolarHBondContact NE-OD2 2.89Å; R343-D452 IonicContact NH2-OD1 3.87Å; R343-D452 PolarHBondContact NH2-OD1 3.49Å; R343-D452 IonicContact NH2-OD2 3.23Å; R343-D452 PolarHBondContact NH2-OD2 3.12Å; R343-T454 WeakPolarHBondContact CA-OG1 3.44Å; R343-T454 VanDerWaalsContact CZ-CB 3.42Å; R343-T454 VanDerWaalsContact CZ-OG1 3.26Å; R343-T454 PolarHBondContact NE-OG1 3.22Å; R343-T454 VanDerWaalsContact NH2-CB 3.34Å; R343-T454 PolarHBondContact NH2-OG1 3.28Å; R343-D455 IonicContact CZ-OD2 3.73Å; R343-D455 IonicContact NH1-OD2 3.79Å; R343-D455 IonicContact NH2-OD2 3.78Å; R343-D455 PolarHBondContact NH2-OD2 3.1Å
344	T	92.8	Very high	88.1	Confident	16 Å²	16	41.8 Å²	41.8	10%	0.098	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	108.4	174.5	-55.6	0	0	0	0	108.2	I306 I453 T454	I306-T344 HydrophobicContact CD1-CG2 4.39Å; I306-T344 HydrophobicContact CG2-CG2 3.52Å; T344-I453 HydrophobicContact CG2-CD1 4.31Å; T344-I453 HydrophobicContact CG2-CG1 4.02Å; T344-I453 WeakPolarHBondContact O-CG1 3.36Å; T344-I453 PolarHBondContact O-N 3Å; T344-T454 PolarHBondContact N-OG1 3.24Å; T344-T454 PolarHBondContact O-N 3.09Å
345	L	95.5	Very high	89.1	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	130.2	-175.2	-47.8	-179.9	0	0	0	109.3	I306 Q307 M309 L314 R343 W450 D452	I306-L345 WeakPolarHBondContact CA-O 3.42Å; Q307-L345 PolarHBondContact N-O 2.76Å; Q307-L345 PolarHBondContact O-N 3.38Å; M309-L345 HydrophobicContact CB-CD1 4.27Å; M309-L345 HydrophobicContact CG-CD1 4.24Å; M309-L345 HydrophobicContact SD-CD1 3.89Å; L314-L345 HydrophobicContact CD1-CD1 4.2Å; L314-L345 HydrophobicContact CD2-CD1 3.96Å; R343-L345 HydrophobicContact CB-CD2 3.88Å; L345-W450 HydrophobicContact CB-CB 4.22Å; L345-W450 HydrophobicContact CB-CD2 4.22Å; L345-W450 HydrophobicContact CB-CE3 4.37Å; L345-W450 HydrophobicContact CB-CG 4.18Å; L345-W450 HydrophobicContact CD1-CD2 3.91Å; L345-W450 HydrophobicContact CD1-CE3 4.38Å; L345-W450 HydrophobicContact CD1-CG 4.23Å; L345-W450 HydrophobicContact CD1-CZ2 4.16Å; L345-W450 HydrophobicContact CD2-CD2 4.09Å; L345-W450 HydrophobicContact CD2-CE3 3.69Å; L345-W450 HydrophobicContact CD2-CH2 4.15Å; L345-W450 HydrophobicContact CD2-CZ2 4.48Å; L345-W450 HydrophobicContact CD2-CZ3 3.75Å; L345-W450 HydrophobicContact CG-CD2 4.29Å; L345-W450 HydrophobicContact CG-CE3 4.35Å; L345-D452 HydrophobicContact CD2-CB 4.16Å
346	M	97.1	Very high	90.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	106.1	165.9	-173.4	-176.4	78.1	0	0	108.9	Y305 F348 W450 V451 I453 F463 M487 A494 L496	Y305-M346 CarbonylContact O-C 3.47Å; Y305-M346 WeakPolarHBondContact O-CA 3.43Å; M346-F348 HydrophobicContact CE-CD1 4.16Å; M346-F348 HydrophobicContact CE-CE1 4.48Å; M346-F348 WeakPolarHBondContact O-CD1 3.49Å; M346-W450 CarbonylContact O-C 3.53Å; M346-W450 WeakPolarHBondContact O-CA 3.45Å; M346-W450 WeakPolarHBondContact O-CB 3.37Å; M346-V451 HydrophobicContact CB-CG1 3.97Å; M346-V451 HydrophobicContact CE-CG1 3.67Å; M346-V451 PolarHBondContact N-O 2.65Å; M346-V451 PolarHBondContact O-N 3.45Å; M346-I453 HydrophobicContact CB-CD1 4.01Å; M346-I453 HydrophobicContact CB-CG1 4.29Å; M346-I453 HydrophobicContact CB-CG2 4.26Å; M346-F463 HydrophobicContact CE-CD1 4.17Å; M346-F463 HydrophobicContact CE-CD2 3.39Å; M346-F463 HydrophobicContact CE-CE1 4.2Å; M346-F463 HydrophobicContact CE-CE2 3.42Å; M346-F463 VanDerWaalsContact CE-CE2 3.42Å; M346-F463 HydrophobicContact CE-CG 3.77Å; M346-F463 HydrophobicContact CE-CZ 3.84Å; M346-M487 HydrophobicContact CE-SD 4.14Å; M346-M487 HydrophobicContact SD-CG 4.33Å; M346-M487 HydrophobicContact SD-SD 3.75Å; M346-A494 HydrophobicContact CG-CB 3.88Å; M346-A494 HydrophobicContact SD-CB 3.67Å; M346-L496 HydrophobicContact CE-CD2 4.46Å; M346-L496 HydrophobicContact SD-CD2 4.44Å
347	R	96.8	Very high	91.1	Very high	5 Å²	5	32.4 Å²	32.4	2%	0.019	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	146.6	177.8	-78.1	179.2	171	-78.1	3.8	111	A304 Y305 Q307 H444 Y446 D447 W450	A304-R347 CarbonylContact C-O 3.54Å; A304-R347 WeakPolarHBondContact CA-O 3.35Å; Y305-R347 HydrophobicContact CD1-CB 4.07Å; Y305-R347 HydrophobicContact CE1-CB 3.64Å; Y305-R347 HydrophobicContact CE2-CB 4.21Å; Y305-R347 PolarHBondContact N-O 3.12Å; Y305-R347 PolarHBondContact O-N 3.28Å; Y305-R347 WeakPolarHBondContact OH-CD 3.03Å; Q307-R347 VanDerWaalsContact OE1-CD 3.28Å; R347-H444 HydrophobicContact CB-CB 4.33Å; R347-H444 WeakPolarHBondContact CB-O 3.49Å; R347-H444 WeakPolarHBondContact CD-O 3.34Å; R347-H444 WeakPolarHBondContact CG-O 3.36Å; R347-H444 PolarHBondContact NH1-O 3Å; R347-Y446 PolarHBondContact NH1-O 2.76Å; R347-D447 IonicContact NH2-OD1 3.78Å; R347-W450 HydrophobicContact CB-CB 4.45Å; R347-W450 HydrophobicContact CG-CB 3.73Å; R347-W450 HydrophobicContact CG-CG 4.27Å; R347-W450 VanDerWaalsContact CZ-CD1 3.5Å
348	F	97.2	Very high	92.2	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.159	C	C	.	.			trans	-164	150.4	179.8	56.8	-87.8	0	0	0	110.3	L300 A304 M346 S350 Y387 Q449 V451 F463	L300-F348 HydrophobicContact CD1-CB 4.09Å; L300-F348 HydrophobicContact CD1-CD2 3.43Å; L300-F348 VanDerWaalsContact CD1-CD2 3.43Å; L300-F348 HydrophobicContact CD1-CE2 4.19Å; L300-F348 HydrophobicContact CD1-CG 3.99Å; A304-F348 HydrophobicContact CB-CB 4.39Å; M346-F348 HydrophobicContact CE-CD1 4.16Å; M346-F348 HydrophobicContact CE-CE1 4.48Å; M346-F348 WeakPolarHBondContact O-CD1 3.49Å; F348-S350 WeakPolarHBondContact CE2-OG 3.03Å; F348-Y387 HydrophobicContact CE1-CD2 4.37Å; F348-Y387 HydrophobicContact CE1-CG 4.46Å; F348-Y387 HydrophobicContact CE2-CD1 4.04Å; F348-Y387 AromaticContact CE2-CE1 3.86Å; F348-Y387 HydrophobicContact CE2-CE1 3.86Å; F348-Y387 HydrophobicContact CE2-CE2 4.4Å; F348-Y387 HydrophobicContact CE2-CG 4.42Å; F348-Y387 AromaticContact CZ-CD1 3.66Å; F348-Y387 HydrophobicContact CZ-CD1 3.66Å; F348-Y387 AromaticContact CZ-CD2 3.63Å; F348-Y387 HydrophobicContact CZ-CD2 3.63Å; F348-Y387 AromaticContact CZ-CE1 3.79Å; F348-Y387 HydrophobicContact CZ-CE1 3.79Å; F348-Y387 AromaticContact CZ-CE2 3.72Å; F348-Y387 HydrophobicContact CZ-CE2 3.72Å; F348-Y387 AromaticContact CZ-CG 3.59Å; F348-Y387 HydrophobicContact CZ-CG 3.59Å; F348-Y387 AromaticContact CZ-CZ 3.79Å; F348-Q449 PolarHBondContact N-O 2.91Å; F348-Q449 WeakPolarHBondContact O-CG 3.29Å; F348-Q449 PolarHBondContact O-NE2 2.75Å; F348-V451 HydrophobicContact CE1-CG1 4.47Å; F348-F463 HydrophobicContact CD1-CZ 4.03Å; F348-F463 HydrophobicContact CD2-CZ 4.48Å; F348-F463 HydrophobicContact CE1-CE1 4.41Å; F348-F463 HydrophobicContact CE1-CE2 4.2Å; F348-F463 AromaticContact CE1-CZ 3.56Å; F348-F463 HydrophobicContact CE1-CZ 3.56Å; F348-F463 HydrophobicContact CE2-CE1 4.41Å; F348-F463 HydrophobicContact CE2-CZ 4.04Å; F348-F463 HydrophobicContact CG-CZ 4.48Å; F348-F463 HydrophobicContact CZ-CE1 4.37Å; F348-F463 HydrophobicContact CZ-CE2 4.48Å; F348-F463 AromaticContact CZ-CZ 3.59Å; F348-F463 HydrophobicContact CZ-CZ 3.59Å
349	S	96.6	Very high	93	Very high	6 Å²	6	29.3 Å²	29.3	4%	0.042	15%	0.151	C	C	.	.			trans	-87.5	140.1	176	-60.2	0	0	0	0	111.1	S303 Y442 H444	S303-S349 PolarHBondContact OG-N 2.77Å; S349-Y442 CarbonylContact C-O 3.56Å; S349-Y442 VanDerWaalsContact CA-O 3.27Å; S349-Y442 WeakPolarHBondContact CA-O 3.49Å; S349-H444 PolarHBondContact OG-CD2 2.73Å; S349-H444 VanDerWaalsContact OG-CD2 3.27Å; S349-H444 PolarHBondContact OG-N 2.8Å
350	S	94.8	Very high	93.8	Very high	5 Å²	5	27.7 Å²	27.7	4%	0.035	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	109.8	171.7	-59.1	0	0	0	0	108.8	F348 I352 Y442 Q449	F348-S350 WeakPolarHBondContact CE2-OG 3.03Å; S350-I352 WeakPolarHBondContact O-CD1 3.37Å; S350-Y442 PolarHBondContact N-O 2.92Å; S350-Y442 PolarHBondContact O-N 3.4Å; S350-Q449 PolarHBondContact OG-NE2 3.25Å; S350-Q449 VanDerWaalsContact OG-NE2 3.11Å
351	I	96.1	Very high	94.5	Very high	17 Å²	17	24.6 Å²	24.6	9%	0.087	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	123.5	175	-59.2	178.7	0	0	0	107.9	P295 D296 S299 R439 D440 M441	P295-I351 CarbonylContact C-O 3.42Å; P295-I351 WeakPolarHBondContact CA-O 3.45Å; D296-I351 HydrophobicContact CB-CB 4.11Å; D296-I351 HydrophobicContact CB-CG2 4.46Å; D296-I351 PolarHBondContact N-O 3.24Å; S299-I351 WeakPolarHBondContact OG-CD1 3.29Å; I351-R439 HydrophobicContact CG2-CB 4.17Å; I351-D440 CarbonylContact C-O 3.59Å; I351-D440 WeakPolarHBondContact CA-O 3.04Å; I351-M441 HydrophobicContact CB-CG 4.48Å; I351-M441 HydrophobicContact CD1-CE 3.85Å; I351-M441 HydrophobicContact CD1-CG 4.3Å; I351-M441 HydrophobicContact CG1-CB 4.37Å; I351-M441 HydrophobicContact CG1-CE 4.48Å; I351-M441 HydrophobicContact CG1-CG 4.05Å; I351-M441 HydrophobicContact CG2-CG 3.91Å
352	I	96	Very high	94.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	121.9	-172.8	-57.6	70.1	0	0	0	108.4	L293 S350 F384 I434 R439 D440 Y442 F467	L293-I352 HydrophobicContact CB-CG2 3.89Å; L293-I352 HydrophobicContact CD1-CG2 4.23Å; L293-I352 HydrophobicContact CD2-CG2 3.87Å; L293-I352 HydrophobicContact CG-CG2 4.22Å; S350-I352 WeakPolarHBondContact O-CD1 3.37Å; I352-F384 HydrophobicContact CD1-CE1 4.23Å; I352-F384 HydrophobicContact CG1-CE1 4.2Å; I352-F384 HydrophobicContact CG1-CZ 4.14Å; I352-F384 HydrophobicContact CG2-CZ 4.44Å; I352-I434 HydrophobicContact CG2-CD1 4.42Å; I352-R439 CarbonylContact O-C 3.49Å; I352-R439 WeakPolarHBondContact O-CA 3.31Å; I352-D440 PolarHBondContact N-O 3.46Å; I352-D440 PolarHBondContact O-N 3.44Å; I352-Y442 HydrophobicContact CD1-CD2 4Å; I352-Y442 HydrophobicContact CD1-CE2 4.39Å; I352-F467 HydrophobicContact CD1-CD1 3.98Å; I352-F467 HydrophobicContact CD1-CE1 3.44Å; I352-F467 VanDerWaalsContact CD1-CE1 3.44Å; I352-F467 HydrophobicContact CD1-CZ 3.93Å; I352-F467 HydrophobicContact CG1-CD1 3.54Å; I352-F467 HydrophobicContact CG1-CD2 4.45Å; I352-F467 HydrophobicContact CG1-CE1 3.46Å; I352-F467 VanDerWaalsContact CG1-CE1 3.46Å; I352-F467 HydrophobicContact CG1-CE2 4.39Å; I352-F467 HydrophobicContact CG1-CG 4.06Å; I352-F467 HydrophobicContact CG1-CZ 3.91Å
353	E	96.8	Very high	94.7	Very high	24 Å²	24	25 Å²	25	11%	0.112	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	134.9	175.2	-174.7	172.8	153.3	0	0	111	L293 S294 S355 K413 R439	L293-E353 CarbonylContact C-O 3.58Å; L293-E353 WeakPolarHBondContact CA-O 3.49Å; S294-E353 PolarHBondContact N-O 2.04Å; S294-E353 PolarHBondContact O-N 2.87Å; E353-S355 PolarHBondContact O-N 2.77Å; E353-K413 WeakPolarHBondContact OE1-CE 3.36Å; E353-K413 IonicContact OE1-NZ 2.66Å; E353-K413 PolarHBondContact OE1-NZ 2.86Å; E353-R439 HydrophobicContact CB-CG 3.85Å; E353-R439 HydrophobicContact CG-CG 3.96Å; E353-R439 IonicContact OE2-CZ 2.82Å; E353-R439 VanDerWaalsContact OE2-CZ 3.22Å; E353-R439 IonicContact OE2-NE 3.83Å; E353-R439 PolarHBondContact OE2-NE 3.45Å; E353-R439 IonicContact OE2-NH2 3.23Å; E353-R439 PolarHBondContact OE2-NH2 3.27Å
354	N	97.7	Very high	94.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	102.2	164.7	-177.4	5.3	0	0	0	109.8	P291 D292 L293 G356 E358 F360 I434 G437 C438	P291-N354 WeakPolarHBondContact CA-OD1 3.41Å; D292-N354 PolarHBondContact N-OD1 3.36Å; D292-N354 CarbonylContact O-C 3.58Å; D292-N354 WeakPolarHBondContact O-CA 3.37Å; L293-N354 HydrophobicContact CD2-CB 4.28Å; N354-G356 VanDerWaalsContact C-N 3.31Å; N354-G356 WeakPolarHBondContact OD1-CA 3.1Å; N354-G356 PolarHBondContact OD1-N 3.49Å; N354-E358 PolarHBondContact ND2-O 3.45Å; N354-F360 PolarHBondContact ND2-N 2.8Å; N354-I434 HydrophobicContact CB-CB 4.19Å; N354-I434 HydrophobicContact CB-CG2 3.66Å; N354-I434 PolarHBondContact ND2-O 2.02Å; N354-G437 PolarHBondContact O-N 3.45Å; N354-C438 PolarHBondContact N-O 3.34Å
355	S	96.6	Very high	94.1	Very high	57 Å²	57	32.5 Å²	32.5	40%	0.399	17%	0.168	S	C	.	.			trans	-86.6	-1.8	176.2	-61.1	0	0	0	0	113.3	D292 E353	D292-S355 PolarHBondContact O-N 3.05Å; E353-S355 PolarHBondContact O-N 2.77Å
356	G	96.6	Very high	93.6	Very high	16 Å²	16	35.1 Å²	35.1	17%	0.165	19%	0.185	C	C	.	.	S	Bend	trans	-76.9	-171	-179.9	0	0	0	0	0	112.7	L290 N354 P436	L290-G356 WeakPolarHBondContact O-CA 3.37Å; N354-G356 VanDerWaalsContact C-N 3.31Å; N354-G356 WeakPolarHBondContact OD1-CA 3.1Å; N354-G356 PolarHBondContact OD1-N 3.49Å; G356-P436 WeakPolarHBondContact O-CB 3.39Å
357	N	96.2	Very high	93.1	Very high	76 Å²	76	41.1 Å²	41.1	41%	0.406	22%	0.218	S	C	.	.	S	Bend	trans	-114.9	2.4	179.9	65.1	-9.4	0	0	0	113.4	N289 L290	N289-N357 WeakPolarHBondContact CA-OD1 2.92Å; N289-N357 PolarHBondContact OD1-ND2 3.31Å; N289-N357 VanDerWaalsContact OD1-ND2 3.14Å; L290-N357 PolarHBondContact N-OD1 3.06Å; L290-N357 PolarHBondContact O-N 2.82Å; L290-N357 PolarHBondContact O-OD1 2.92Å
358	E	96.4	Very high	92.7	Very high	70 Å²	70	45.7 Å²	45.7	33%	0.327	24%	0.242	S	C	.	.	S	Bend	trans	-129	158.8	172.2	-174.2	51.4	-102.3	0	0	110.2	N289 L290 P291 N354 R361	N289-E358 HydrophobicContact CB-CB 4.09Å; L290-E358 PolarHBondContact O-N 2.9Å; P291-E358 WeakPolarHBondContact CA-O 3.24Å; N354-E358 PolarHBondContact ND2-O 3.45Å; E358-R361 IonicContact OE1-NH1 2.81Å
359	V	96.2	Very high	92.2	Very high	10 Å²	10	46.9 Å²	46.9	6%	0.061	25%	0.247	C	C	.	.			trans	-65.8	134.1	177.2	179	0	0	0	0	110.8	R361 F420	V359-R361 HydrophobicContact CB-CG 4.17Å; V359-R361 HydrophobicContact CG1-CG 3.46Å; V359-R361 VanDerWaalsContact CG1-CG 3.46Å; V359-R361 PolarHBondContact O-N 2.96Å; V359-F420 HydrophobicContact CB-CE2 4.23Å; V359-F420 HydrophobicContact CB-CZ 4.38Å; V359-F420 HydrophobicContact CG1-CD2 4.22Å; V359-F420 HydrophobicContact CG1-CE1 4.48Å; V359-F420 HydrophobicContact CG1-CE2 3.24Å; V359-F420 HydrophobicContact CG1-CZ 3.42Å; V359-F420 VanDerWaalsContact CG1-CZ 3.42Å; V359-F420 HydrophobicContact CG2-CE2 3.89Å; V359-F420 HydrophobicContact CG2-CZ 4.12Å
360	F	95.7	Very high	91.6	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-76.2	112.6	162.8	-174.7	-86.3	0	0	0	108.9	P291 L293 N354 M381 F384 L407 G433 I434 N468 V473 E475	P291-F360 HydrophobicContact CB-CB 3.74Å; P291-F360 HydrophobicContact CB-CD2 4.12Å; P291-F360 HydrophobicContact CB-CG 4.45Å; P291-F360 HydrophobicContact CG-CB 4.18Å; P291-F360 HydrophobicContact CG-CD2 4.01Å; L293-F360 HydrophobicContact CD1-CD1 4.36Å; L293-F360 HydrophobicContact CD1-CD2 3.57Å; L293-F360 HydrophobicContact CD1-CE1 4.21Å; L293-F360 HydrophobicContact CD1-CE2 3.36Å; L293-F360 HydrophobicContact CD1-CG 4.07Å; L293-F360 HydrophobicContact CD1-CZ 3.72Å; L293-F360 HydrophobicContact CD2-CB 3.97Å; L293-F360 HydrophobicContact CD2-CD2 3.85Å; L293-F360 HydrophobicContact CD2-CG 3.88Å; L293-F360 HydrophobicContact CG-CD2 3.65Å; L293-F360 HydrophobicContact CG-CE2 3.92Å; L293-F360 HydrophobicContact CG-CG 4.19Å; N354-F360 PolarHBondContact ND2-N 2.8Å; F360-M381 HydrophobicContact CE1-SD 4.17Å; F360-F384 HydrophobicContact CE1-CD2 4.26Å; F360-F384 AromaticContact CE1-CE2 3.92Å; F360-F384 HydrophobicContact CE1-CE2 3.92Å; F360-F384 HydrophobicContact CZ-CD2 4.46Å; F360-F384 HydrophobicContact CZ-CE2 4.17Å; F360-L407 HydrophobicContact CD1-CD1 3.86Å; F360-L407 HydrophobicContact CE1-CD1 3.75Å; F360-G433 CarbonylContact O-C 3.58Å; F360-G433 WeakPolarHBondContact O-CA 3.42Å; F360-I434 HydrophobicContact CB-CB 4.28Å; F360-I434 PolarHBondContact N-O 2.79Å; F360-I434 PolarHBondContact O-N 3.22Å; F360-N468 HydrophobicContact CE2-CB 4.27Å; F360-N468 HydrophobicContact CZ-CB 4.25Å; F360-V473 HydrophobicContact CD2-CB 4.15Å; F360-V473 HydrophobicContact CD2-CG1 3.66Å; F360-V473 HydrophobicContact CE1-CG2 4.16Å; F360-V473 HydrophobicContact CE2-CB 3.46Å; F360-V473 VanDerWaalsContact CE2-CB 3.46Å; F360-V473 HydrophobicContact CE2-CG1 3.52Å; F360-V473 HydrophobicContact CE2-CG2 3.94Å; F360-V473 HydrophobicContact CG-CG1 4.28Å; F360-V473 HydrophobicContact CZ-CB 3.7Å; F360-V473 HydrophobicContact CZ-CG1 4.03Å; F360-V473 HydrophobicContact CZ-CG2 3.61Å; F360-E475 HydrophobicContact CD2-CG 4.42Å; F360-E475 HydrophobicContact CE2-CG 4.45Å
361	R	91.9	Very high	91.1	Very high	119 Å²	119	56.7 Å²	56.7	45%	0.449	29%	0.288	S	S	.	.			trans	-119	140.1	178.1	-66.2	-168.2	179.4	86.8	-1.1	110.9	E358 V359 L363 V473	E358-R361 IonicContact OE1-NH1 2.81Å; V359-R361 HydrophobicContact CB-CG 4.17Å; V359-R361 HydrophobicContact CG1-CG 3.46Å; V359-R361 VanDerWaalsContact CG1-CG 3.46Å; V359-R361 PolarHBondContact O-N 2.96Å; R361-L363 PolarHBondContact O-N 2.84Å; R361-V473 VanDerWaalsContact O-CG2 3.31Å; R361-V473 WeakPolarHBondContact O-CG2 3.43Å
362	P	88.2	Confident	90.4	Very high	17 Å²	17	57.4 Å²	57.4	11%	0.11	29%	0.291	C	S	.	.			trans	-50.6	137.9	163.1	-23.4	33.5	0	0	0	111	E364 S380 M381 L407 Q432	P362-E364 VanDerWaalsContact C-N 3.32Å; P362-S380 WeakPolarHBondContact CB-O 3.13Å; P362-S380 WeakPolarHBondContact CG-OG 3.23Å; P362-M381 HydrophobicContact CB-CG 3.84Å; P362-M381 HydrophobicContact CG-CG 4.19Å; P362-L407 HydrophobicContact CG-CD1 3.85Å; P362-Q432 HydrophobicContact CG-CB 4.33Å
363	L	82.8	Confident	89.5	Confident	81 Å²	81	60.8 Å²	60.8	42%	0.424	32%	0.319	S	S	.	.	S	Bend	trans	-76.6	-22.7	173.2	-75.1	-172	0	0	0	113	R361 L472 V473	R361-L363 PolarHBondContact O-N 2.84Å; L363-L472 HydrophobicContact CD1-CB 4.35Å; L363-L472 WeakPolarHBondContact CD1-O 3.44Å; L363-V473 HydrophobicContact CG-CG2 4.33Å
364	E	83.8	Confident	88.7	Confident	92 Å²	92	61.6 Å²	61.6	43%	0.43	33%	0.327	S	S	.	.	S	Bend	trans	-67.2	133.8	-177.3	-163.4	63.3	-131.4	0	0	110.6	P362 N368 W369 S380	P362-E364 VanDerWaalsContact C-N 3.32Å; E364-N368 HydrophobicContact CG-CB 3.81Å; E364-N368 WeakPolarHBondContact OE1-CB 3.15Å; E364-N368 PolarHBondContact OE1-ND2 3.1Å; E364-W369 PolarHBondContact O-NE1 3.41Å; E364-W369 VanDerWaalsContact O-NE1 3.11Å; E364-S380 WeakPolarHBondContact CB-O 3.48Å
365	D	86	Confident	87.6	Confident	87 Å²	87	64 Å²	64	47%	0.465	34%	0.338	S	S	.	.			trans	-61.4	137.3	176.2	-167.2	-70.7	0	0	0	109.9	D367 N368 W369	D365-D367 PolarHBondContact O-N 2.92Å; D365-D367 WeakPolarHBondContact OD1-CB 3.29Å; D365-D367 PolarHBondContact OD1-N 2.93Å; D365-N368 PolarHBondContact O-N 2.79Å; D365-W369 VanDerWaalsContact O-CD1 3.24Å; D365-W369 PolarHBondContact O-NE1 2.77Å
366	P	86.3	Confident	87	Confident	56 Å²	56	66.2 Å²	66.2	36%	0.364	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-49.3	-28.5	174.2	-28.2	35.3	0	0	0	114.7	N368 W369 K429	P366-N368 PolarHBondContact O-N 2.96Å; P366-W369 HydrophobicContact CB-CD2 4.17Å; P366-W369 HydrophobicContact CB-CE3 4.32Å; P366-W369 HydrophobicContact CB-CH2 4.28Å; P366-W369 HydrophobicContact CB-CZ2 4.13Å; P366-W369 HydrophobicContact CB-CZ3 4.37Å; P366-W369 HydrophobicContact CG-CH2 4.11Å; P366-W369 HydrophobicContact CG-CZ2 3.79Å; P366-W369 PolarHBondContact O-N 3.49Å; P366-K429 HydrophobicContact CB-CD 4.2Å; P366-K429 VanDerWaalsContact O-CD 3.23Å; P366-K429 WeakPolarHBondContact O-CD 2.9Å; P366-K429 WeakPolarHBondContact O-CE 3.43Å; P366-K429 PolarHBondContact O-NZ 3.49Å
367	D	86.5	Confident	86.4	Confident	126 Å²	126	67 Å²	67	67%	0.674	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-64.8	-21.1	175	-71.8	-18.6	0	0	0	115.5	D365 K429	D365-D367 PolarHBondContact O-N 2.92Å; D365-D367 WeakPolarHBondContact OD1-CB 3.29Å; D365-D367 PolarHBondContact OD1-N 2.93Å; D367-K429 IonicContact OD1-NZ 3.71Å; D367-K429 PolarHBondContact OD1-NZ 3.39Å
368	N	87.3	Confident	86	Confident	100 Å²	100	64.8 Å²	64.8	54%	0.535	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-102.2	2.6	177.1	-59.1	-26.4	0	0	0	113.1	E364 D365 P366 E370	E364-N368 HydrophobicContact CG-CB 3.81Å; E364-N368 WeakPolarHBondContact OE1-CB 3.15Å; E364-N368 PolarHBondContact OE1-ND2 3.1Å; D365-N368 PolarHBondContact O-N 2.79Å; P366-N368 PolarHBondContact O-N 2.96Å; N368-E370 PolarHBondContact O-N 3.09Å
369	W	88.2	Confident	85.6	Confident	26 Å²	26	62.3 Å²	62.3	10%	0.098	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-68.1	134.9	176.5	-64.2	-1.2	0	0	0	110.6	E364 D365 P366 Y378 H379 K429 Q432	E364-W369 PolarHBondContact O-NE1 3.41Å; E364-W369 VanDerWaalsContact O-NE1 3.11Å; D365-W369 VanDerWaalsContact O-CD1 3.24Å; D365-W369 PolarHBondContact O-NE1 2.77Å; P366-W369 HydrophobicContact CB-CD2 4.17Å; P366-W369 HydrophobicContact CB-CE3 4.32Å; P366-W369 HydrophobicContact CB-CH2 4.28Å; P366-W369 HydrophobicContact CB-CZ2 4.13Å; P366-W369 HydrophobicContact CB-CZ3 4.37Å; P366-W369 HydrophobicContact CG-CH2 4.11Å; P366-W369 HydrophobicContact CG-CZ2 3.79Å; P366-W369 PolarHBondContact O-N 3.49Å; W369-Y378 HydrophobicContact CB-CD1 3.84Å; W369-Y378 HydrophobicContact CB-CG 4.33Å; W369-Y378 WeakPolarHBondContact O-CD1 3.24Å; W369-H379 WeakPolarHBondContact CA-O 3Å; W369-H379 WeakPolarHBondContact CB-O 3.44Å; W369-K429 HydrophobicContact CE3-CB 4.12Å; W369-K429 HydrophobicContact CZ3-CB 4.19Å; W369-Q432 HydrophobicContact CE3-CG 4.48Å; W369-Q432 HydrophobicContact CH2-CB 3.98Å; W369-Q432 HydrophobicContact CH2-CG 3.89Å; W369-Q432 HydrophobicContact CZ2-CB 4.4Å; W369-Q432 HydrophobicContact CZ3-CB 4.44Å; W369-Q432 HydrophobicContact CZ3-CG 3.84Å
370	E	83.9	Confident	85.1	Confident	143 Å²	143	61.9 Å²	61.9	67%	0.668	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	126.4	-175.9	-65.1	-179.2	168	0	0	110	N368 Y378 H379	N368-E370 PolarHBondContact O-N 3.09Å; E370-Y378 CarbonylContact O-C 3.59Å; E370-Y378 WeakPolarHBondContact O-CA 3.12Å; E370-H379 PolarHBondContact N-O 2.86Å; E370-H379 PolarHBondContact O-N 3.46Å
371	W	84.7	Confident	84.6	Confident	73 Å²	73	63 Å²	63	28%	0.277	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	137.6	172.8	174.4	-93.6	0	0	0	110.3	M376 H377 Y378 V426	W371-M376 HydrophobicContact CH2-CB 3.91Å; W371-M376 WeakPolarHBondContact CH2-O 3.49Å; W371-M376 HydrophobicContact CZ2-CB 3.79Å; W371-M376 HydrophobicContact CZ2-CG 4.41Å; W371-M376 WeakPolarHBondContact CZ3-O 3.14Å; W371-H377 VanDerWaalsContact CZ3-CA 3.48Å; W371-Y378 HydrophobicContact CB-CD1 4.09Å; W371-Y378 HydrophobicContact CB-CE1 3.74Å; W371-Y378 AromaticContact CE3-CD2 3.61Å; W371-Y378 HydrophobicContact CE3-CD2 3.61Å; W371-Y378 AromaticContact CE3-CE2 3.5Å; W371-Y378 HydrophobicContact CE3-CE2 3.5Å; W371-Y378 VanDerWaalsContact CE3-CE2 3.5Å; W371-Y378 HydrophobicContact CE3-CG 4.19Å; W371-Y378 AromaticContact CE3-CZ 3.98Å; W371-Y378 HydrophobicContact CZ3-CD2 4.09Å; W371-Y378 HydrophobicContact CZ3-CE2 4.04Å; W371-V426 HydrophobicContact CD2-CG2 3.99Å; W371-V426 VanDerWaalsContact CE2-CG2 3.5Å; W371-V426 HydrophobicContact CE3-CG2 4.33Å; W371-V426 HydrophobicContact CH2-CG2 3.73Å; W371-V426 HydrophobicContact CZ2-CG2 3.36Å; W371-V426 HydrophobicContact CZ3-CG2 4.2Å
372	H	80	Confident	83.8	Confident	32 Å²	32	66.6 Å²	66.6	15%	0.148	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	124.2	174.6	-152.8	-92.1	0	0	0	112	E319 E320 C374 M376 H377 H379	E319-H372 IonicContact OE2-CE1 2.62Å; E320-H372 WeakPolarHBondContact CG-CE1 3.47Å; E320-H372 WeakPolarHBondContact CG-NE2 3.33Å; E320-H372 IonicContact OE1-CE1 2.78Å; E320-H372 PolarHBondContact OE1-CE1 3.3Å; E320-H372 VanDerWaalsContact OE1-CE1 3.23Å; E320-H372 IonicContact OE1-CG 3.91Å; E320-H372 IonicContact OE1-ND1 3.68Å; E320-H372 PolarHBondContact OE1-ND1 3.21Å; H372-C374 VanDerWaalsContact C-N 3.32Å; H372-C374 PolarHBondContact O-N 2.83Å; H372-M376 WeakPolarHBondContact O-CA 3.34Å; H372-M376 PolarHBondContact O-N 3.14Å; H372-H377 PolarHBondContact N-O 3.25Å; H372-H379 WeakPolarHBondContact CB-CE1 2.82Å; H372-H379 AromaticContact CG-CE1 3.63Å
373	A	77.8	Confident	83.3	Confident	72 Å²	72	67.7 Å²	67.7	60%	0.595	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-30.4	-172.4	0	0	0	0	0	112.9	H375 M376	A373-H375 PolarHBondContact O-N 3.3Å; A373-M376 WeakPolarHBondContact O-CG 3.31Å
374	C	79.1	Confident	83.6	Confident	40 Å²	40	63.9 Å²	63.9	27%	0.27	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-41.6	-179.9	-80.1	0	0	0	0	113.5	C316 H372	C316-C374 WeakPolarHBondContact CA-SG 3.5Å; C316-C374 HydrophobicContact CB-CB 3.6Å; C316-C374 WeakPolarHBondContact CB-SG 3.43Å; C316-C374 WeakPolarHBondContact SG-CB 3.47Å; C316-C374 CovalentContact SG-SG 2.04Å; C316-C374 PolarHBondContact SG-SG 3.34Å; H372-C374 VanDerWaalsContact C-N 3.32Å; H372-C374 PolarHBondContact O-N 2.83Å
375	H	75.2	Confident	83.9	Confident	52 Å²	52	59.5 Å²	59.5	24%	0.241	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	-4.1	-177.4	-54.4	150.6	0	0	0	113	E320 A373 H377	E320-H375 VanDerWaalsContact CD-CE1 3.48Å; E320-H375 IonicContact OE1-CE1 3.16Å; E320-H375 PolarHBondContact OE1-CE1 2.96Å; E320-H375 IonicContact OE1-CG 2.72Å; E320-H375 IonicContact OE1-ND1 3.31Å; E320-H375 PolarHBondContact OE1-ND1 2.84Å; E320-H375 VanDerWaalsContact OE1-ND1 3.15Å; E320-H375 IonicContact OE1-NE2 2.97Å; E320-H375 IonicContact OE2-CE1 3.82Å; E320-H375 PolarHBondContact OE2-CE1 2.03Å; E320-H375 IonicContact OE2-ND1 3.08Å; A373-H375 PolarHBondContact O-N 3.3Å; H375-H377 VanDerWaalsContact C-N 3.34Å; H375-H377 VanDerWaalsContact CB-NE2 3.27Å; H375-H377 WeakPolarHBondContact CB-NE2 3.29Å; H375-H377 PolarHBondContact O-CD2 3.22Å; H375-H377 VanDerWaalsContact O-CD2 3.3Å; H375-H377 PolarHBondContact O-N 2.97Å
376	M	83.5	Confident	84.2	Confident	103 Å²	103	59.7 Å²	59.7	51%	0.507	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	48.2	-179.7	-56.4	-168.4	-65.7	0	0	112.3	W371 H372 A373 N424	W371-M376 HydrophobicContact CH2-CB 3.91Å; W371-M376 WeakPolarHBondContact CH2-O 3.49Å; W371-M376 HydrophobicContact CZ2-CB 3.79Å; W371-M376 HydrophobicContact CZ2-CG 4.41Å; W371-M376 WeakPolarHBondContact CZ3-O 3.14Å; H372-M376 WeakPolarHBondContact O-CA 3.34Å; H372-M376 PolarHBondContact O-N 3.14Å; A373-M376 WeakPolarHBondContact O-CG 3.31Å; M376-N424 WeakPolarHBondContact O-CA 3.14Å
377	H	85.1	Confident	84.6	Confident	32 Å²	32	57 Å²	57	15%	0.148	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	171.6	171.6	61.6	69.2	0	0	0	111.5	W371 H372 H375 H379 C406	W371-H377 VanDerWaalsContact CZ3-CA 3.48Å; H372-H377 PolarHBondContact N-O 3.25Å; H375-H377 VanDerWaalsContact C-N 3.34Å; H375-H377 VanDerWaalsContact CB-NE2 3.27Å; H375-H377 WeakPolarHBondContact CB-NE2 3.29Å; H375-H377 PolarHBondContact O-CD2 3.22Å; H375-H377 VanDerWaalsContact O-CD2 3.3Å; H375-H377 PolarHBondContact O-N 2.97Å; H377-H379 AromaticContact CE1-CD2 3.41Å; H377-H379 PolarHBondContact CE1-CD2 3.14Å; H377-H379 VanDerWaalsContact CE1-CD2 3.41Å; H377-H379 AromaticContact CE1-NE2 3.21Å; H377-H379 PolarHBondContact CE1-NE2 2.98Å; H377-H379 AromaticContact ND1-CD2 3.38Å; H377-H379 PolarHBondContact ND1-CD2 3.03Å; H377-H379 AromaticContact ND1-NE2 3.45Å; H377-H379 PolarHBondContact ND1-NE2 3Å; H377-C406 WeakPolarHBondContact ND1-CB 3.37Å
378	Y	88.2	Confident	84.9	Confident	29 Å²	29	51.4 Å²	51.4	11%	0.114	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	145	176.6	-78.1	-82.8	0	0	0	112	W369 E370 W371 V426 K429 Q432	W369-Y378 HydrophobicContact CB-CD1 3.84Å; W369-Y378 HydrophobicContact CB-CG 4.33Å; W369-Y378 WeakPolarHBondContact O-CD1 3.24Å; E370-Y378 CarbonylContact O-C 3.59Å; E370-Y378 WeakPolarHBondContact O-CA 3.12Å; W371-Y378 HydrophobicContact CB-CD1 4.09Å; W371-Y378 HydrophobicContact CB-CE1 3.74Å; W371-Y378 AromaticContact CE3-CD2 3.61Å; W371-Y378 HydrophobicContact CE3-CD2 3.61Å; W371-Y378 AromaticContact CE3-CE2 3.5Å; W371-Y378 HydrophobicContact CE3-CE2 3.5Å; W371-Y378 VanDerWaalsContact CE3-CE2 3.5Å; W371-Y378 HydrophobicContact CE3-CG 4.19Å; W371-Y378 AromaticContact CE3-CZ 3.98Å; W371-Y378 HydrophobicContact CZ3-CD2 4.09Å; W371-Y378 HydrophobicContact CZ3-CE2 4.04Å; Y378-V426 WeakPolarHBondContact CE2-O 3.35Å; Y378-V426 PolarHBondContact OH-O 3.36Å; Y378-K429 HydrophobicContact CD2-CB 4.17Å; Y378-K429 HydrophobicContact CD2-CG 4.05Å; Y378-K429 HydrophobicContact CE1-CG 4.31Å; Y378-K429 HydrophobicContact CE2-CB 4.31Å; Y378-K429 HydrophobicContact CE2-CG 3.78Å; Y378-K429 HydrophobicContact CG-CG 4.43Å; Y378-Q432 PolarHBondContact O-NE2 2.97Å
379	H	86.6	Confident	85.2	Confident	18 Å²	18	46.6 Å²	46.6	8%	0.083	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	127.1	172.3	-54.4	149.9	0	0	0	110.1	W369 E370 H372 H377 S404 F405	W369-H379 WeakPolarHBondContact CA-O 3Å; W369-H379 WeakPolarHBondContact CB-O 3.44Å; E370-H379 PolarHBondContact N-O 2.86Å; E370-H379 PolarHBondContact O-N 3.46Å; H372-H379 WeakPolarHBondContact CB-CE1 2.82Å; H372-H379 AromaticContact CG-CE1 3.63Å; H377-H379 AromaticContact CE1-CD2 3.41Å; H377-H379 PolarHBondContact CE1-CD2 3.14Å; H377-H379 VanDerWaalsContact CE1-CD2 3.41Å; H377-H379 AromaticContact CE1-NE2 3.21Å; H377-H379 PolarHBondContact CE1-NE2 2.98Å; H377-H379 AromaticContact ND1-CD2 3.38Å; H377-H379 PolarHBondContact ND1-CD2 3.03Å; H377-H379 AromaticContact ND1-NE2 3.45Å; H377-H379 PolarHBondContact ND1-NE2 3Å; H379-S404 WeakPolarHBondContact CE1-CA 3.34Å; H379-S404 WeakPolarHBondContact CE1-CB 3.46Å; H379-S404 PolarHBondContact CE1-OG 2.92Å; H379-S404 WeakPolarHBondContact ND1-CA 3.34Å; H379-S404 PolarHBondContact ND1-OG 2.76Å; H379-S404 WeakPolarHBondContact NE2-CA 3.47Å; H379-S404 VanDerWaalsContact NE2-CB 3.3Å; H379-S404 WeakPolarHBondContact NE2-CB 3.48Å; H379-F405 WeakPolarHBondContact CA-O 3.45Å; H379-F405 PolarHBondContact CD2-O 3.05Å; H379-F405 VanDerWaalsContact CD2-O 3.31Å
380	S	86.6	Confident	85.4	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.007	22%	0.222	C	C	.	.			trans	-102.7	-8.4	-171.7	61.8	0	0	0	0	114.7	P362 E364 Q432	P362-S380 WeakPolarHBondContact CB-O 3.13Å; P362-S380 WeakPolarHBondContact CG-OG 3.23Å; E364-S380 WeakPolarHBondContact CB-O 3.48Å; S380-Q432 PolarHBondContact OG-OE1 3.29Å
381	M	84	Confident	85.6	Confident	24 Å²	24	39.3 Å²	39.3	12%	0.118	19%	0.194	C	C	.	.			trans	-145.8	153.6	170.1	-21.4	160	50.4	0	0	110	F360 P362 F384 F405 L407 V473	F360-M381 HydrophobicContact CE1-SD 4.17Å; P362-M381 HydrophobicContact CB-CG 3.84Å; P362-M381 HydrophobicContact CG-CG 4.19Å; M381-F384 HydrophobicContact SD-CB 4.38Å; M381-F384 HydrophobicContact SD-CD2 4.11Å; M381-F405 HydrophobicContact CB-CE2 4.36Å; M381-F405 HydrophobicContact CB-CZ 3.58Å; M381-F405 HydrophobicContact CG-CE2 4.02Å; M381-F405 HydrophobicContact CG-CZ 3.74Å; M381-F405 WeakPolarHBondContact O-CE1 3.06Å; M381-F405 WeakPolarHBondContact O-CZ 3.35Å; M381-F405 HydrophobicContact SD-CE2 4.14Å; M381-F405 HydrophobicContact SD-CZ 4.1Å; M381-L407 HydrophobicContact SD-CD1 4.14Å; M381-V473 HydrophobicContact CE-CG2 4.18Å
382	K	76.1	Confident	85.7	Confident	194 Å²	194	41.5 Å²	41.5	84%	0.843	22%	0.215	S	C	*	.	S	Bend	trans	-70.7	-40.2	180	-168.7	177.5	-176.6	174.2	0	113
383	V	78.6	Confident	85.9	Confident	41 Å²	41	45.9 Å²	45.9	25%	0.248	24%	0.236	C	C	.	.			trans	-139.9	110	178.9	-175.9	0	0	0	0	108.5	P469	V383-P469 HydrophobicContact CG1-CG 3.86Å
384	F	87.4	Confident	86.1	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.233	C	C	.	.	S	Bend	trans	-94.6	-43.5	170.6	171	-112.8	0	0	0	112	L293 I352 F360 M381 F405 L407 I434 Y442 F467 N468 P469	L293-F384 HydrophobicContact CD1-CE2 3.87Å; L293-F384 HydrophobicContact CD1-CZ 4.29Å; I352-F384 HydrophobicContact CD1-CE1 4.23Å; I352-F384 HydrophobicContact CG1-CE1 4.2Å; I352-F384 HydrophobicContact CG1-CZ 4.14Å; I352-F384 HydrophobicContact CG2-CZ 4.44Å; F360-F384 HydrophobicContact CE1-CD2 4.26Å; F360-F384 AromaticContact CE1-CE2 3.92Å; F360-F384 HydrophobicContact CE1-CE2 3.92Å; F360-F384 HydrophobicContact CZ-CD2 4.46Å; F360-F384 HydrophobicContact CZ-CE2 4.17Å; M381-F384 HydrophobicContact SD-CB 4.38Å; M381-F384 HydrophobicContact SD-CD2 4.11Å; F384-F405 HydrophobicContact CB-CD1 3.87Å; F384-F405 HydrophobicContact CB-CD2 3.92Å; F384-F405 HydrophobicContact CB-CE1 3.43Å; F384-F405 VanDerWaalsContact CB-CE1 3.43Å; F384-F405 HydrophobicContact CB-CE2 3.49Å; F384-F405 VanDerWaalsContact CB-CE2 3.49Å; F384-F405 HydrophobicContact CB-CG 4.11Å; F384-F405 HydrophobicContact CB-CZ 3.25Å; F384-F405 HydrophobicContact CD1-CD2 4.47Å; F384-F405 HydrophobicContact CG-CD2 4.27Å; F384-F405 HydrophobicContact CG-CE2 4.06Å; F384-F405 HydrophobicContact CG-CZ 4.29Å; F384-L407 HydrophobicContact CD1-CD2 4.18Å; F384-L407 HydrophobicContact CD2-CD2 3.93Å; F384-L407 HydrophobicContact CE1-CD2 4.05Å; F384-L407 HydrophobicContact CE2-CD2 3.79Å; F384-L407 HydrophobicContact CG-CD2 4.12Å; F384-L407 HydrophobicContact CZ-CD2 3.85Å; F384-I434 HydrophobicContact CZ-CD1 4.38Å; F384-Y442 HydrophobicContact CD1-CE2 4.23Å; F384-Y442 AromaticContact CE1-CE2 3.81Å; F384-Y442 HydrophobicContact CE1-CE2 3.81Å; F384-F467 HydrophobicContact CD1-CD1 4.33Å; F384-F467 AromaticContact CE1-CD1 3.8Å; F384-F467 HydrophobicContact CE1-CD1 3.8Å; F384-F467 HydrophobicContact CE1-CE1 4.34Å; F384-F467 HydrophobicContact CZ-CD1 4.08Å; F384-F467 CarbonylContact O-C 3.52Å; F384-F467 WeakPolarHBondContact O-CA 3.44Å; F384-N468 PolarHBondContact O-N 2.98Å; F384-P469 WeakPolarHBondContact O-CD 3.28Å
385	S	91.5	Very high	86.3	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	139.8	177.9	66.4	0	0	0	0	112.8	Y387 H401 K402 S466	S385-Y387 WeakPolarHBondContact OG-CE1 3.3Å; S385-Y387 PolarHBondContact OG-OH 3.32Å; S385-H401 WeakPolarHBondContact O-CA 3.21Å; S385-H401 WeakPolarHBondContact O-CB 3.46Å; S385-K402 PolarHBondContact O-N 2.91Å; S385-K402 WeakPolarHBondContact OG-CB 3.12Å; S385-S466 CarbonylContact C-O 3.59Å; S385-S466 WeakPolarHBondContact CA-O 3.18Å; S385-S466 WeakPolarHBondContact CB-O 3.44Å
386	R	91.9	Very high	86.7	Confident	92 Å²	92	47.3 Å²	47.3	35%	0.347	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	140.5	177.9	-179.4	177	173.9	170.8	-3.1	110.3	E388 V465 S466 P469	R386-E388 HydrophobicContact CG-CG 4.14Å; R386-E388 IonicContact CZ-OE1 2.95Å; R386-E388 IonicContact NE-OE1 2.71Å; R386-E388 PolarHBondContact NE-OE1 3.16Å; R386-E388 IonicContact NH2-OE1 3.12Å; R386-E388 PolarHBondContact NH2-OE1 2.61Å; R386-V465 WeakPolarHBondContact O-CA 3.25Å; R386-S466 PolarHBondContact N-O 2.81Å; R386-S466 PolarHBondContact O-N 3.24Å; R386-P469 HydrophobicContact CB-CB 4.46Å; R386-P469 HydrophobicContact CB-CG 4.35Å
387	Y	93.7	Very high	86.9	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	133.3	-177.3	-42.5	-42	0	0	0	109.6	F348 S385 V399 G400 K402 Q449 Q464 V465	F348-Y387 HydrophobicContact CE1-CD2 4.37Å; F348-Y387 HydrophobicContact CE1-CG 4.46Å; F348-Y387 HydrophobicContact CE2-CD1 4.04Å; F348-Y387 AromaticContact CE2-CE1 3.86Å; F348-Y387 HydrophobicContact CE2-CE1 3.86Å; F348-Y387 HydrophobicContact CE2-CE2 4.4Å; F348-Y387 HydrophobicContact CE2-CG 4.42Å; F348-Y387 AromaticContact CZ-CD1 3.66Å; F348-Y387 HydrophobicContact CZ-CD1 3.66Å; F348-Y387 AromaticContact CZ-CD2 3.63Å; F348-Y387 HydrophobicContact CZ-CD2 3.63Å; F348-Y387 AromaticContact CZ-CE1 3.79Å; F348-Y387 HydrophobicContact CZ-CE1 3.79Å; F348-Y387 AromaticContact CZ-CE2 3.72Å; F348-Y387 HydrophobicContact CZ-CE2 3.72Å; F348-Y387 AromaticContact CZ-CG 3.59Å; F348-Y387 HydrophobicContact CZ-CG 3.59Å; F348-Y387 AromaticContact CZ-CZ 3.79Å; S385-Y387 WeakPolarHBondContact OG-CE1 3.3Å; S385-Y387 PolarHBondContact OG-OH 3.32Å; Y387-V399 CarbonylContact O-C 3.51Å; Y387-V399 WeakPolarHBondContact O-CA 3.5Å; Y387-G400 PolarHBondContact N-O 3.3Å; Y387-G400 PolarHBondContact O-N 2.99Å; Y387-K402 WeakPolarHBondContact OH-CB 3.46Å; Y387-Q449 PolarHBondContact OH-NE2 3.17Å; Y387-Q449 PolarHBondContact OH-OE1 3.09Å; Y387-Q464 WeakPolarHBondContact CA-O 3.4Å; Y387-V465 HydrophobicContact CD1-CB 4.21Å; Y387-V465 HydrophobicContact CD1-CG2 3.67Å; Y387-V465 HydrophobicContact CE1-CG2 3.72Å
388	E	93.1	Very high	87.1	Confident	7 Å²	7	42.9 Å²	42.9	3%	0.033	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	133.7	-175	-60.9	-170.2	125.3	0	0	110.9	K152 R386 L396 F463 Q464	K152-E388 VanDerWaalsContact CE-OE1 3.29Å; K152-E388 WeakPolarHBondContact CE-OE1 3.39Å; K152-E388 IonicContact NZ-OE1 3.55Å; K152-E388 PolarHBondContact NZ-OE1 3.22Å; K152-E388 VanDerWaalsContact NZ-OE1 3.12Å; K152-E388 IonicContact NZ-OE2 2.93Å; K152-E388 PolarHBondContact NZ-OE2 3.49Å; R386-E388 HydrophobicContact CG-CG 4.14Å; R386-E388 IonicContact CZ-OE1 2.95Å; R386-E388 IonicContact NE-OE1 2.71Å; R386-E388 PolarHBondContact NE-OE1 3.16Å; R386-E388 IonicContact NH2-OE1 3.12Å; R386-E388 PolarHBondContact NH2-OE1 2.61Å; E388-L396 HydrophobicContact CB-CD1 3.63Å; E388-L396 HydrophobicContact CG-CD1 3.93Å; E388-F463 WeakPolarHBondContact O-CA 3.49Å; E388-Q464 HydrophobicContact CB-CB 4.32Å; E388-Q464 PolarHBondContact N-O 3.22Å; E388-Q464 PolarHBondContact O-N 2.89Å
389	V	94	Very high	87.1	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	123.8	169.9	-174.9	0	0	0	0	107.8	V397 A398 V451 I453 I456 Y461 F463 M487	V389-V397 HydrophobicContact CB-CG2 4.03Å; V389-V397 HydrophobicContact CG1-CG2 3.72Å; V389-V397 WeakPolarHBondContact O-CG2 3.45Å; V389-V397 PolarHBondContact O-N 3.4Å; V389-A398 HydrophobicContact CB-CB 4.1Å; V389-A398 HydrophobicContact CG2-CB 4.11Å; V389-A398 PolarHBondContact N-O 2.78Å; V389-A398 PolarHBondContact O-N 3.29Å; V389-V451 HydrophobicContact CG2-CG1 4.01Å; V389-V451 HydrophobicContact CG2-CG2 4.13Å; V389-I453 HydrophobicContact CG2-CG2 4.21Å; V389-I456 HydrophobicContact CB-CD1 4.11Å; V389-I456 HydrophobicContact CG1-CD1 3.96Å; V389-Y461 HydrophobicContact CG1-CD1 3.9Å; V389-Y461 HydrophobicContact CG1-CG 3.95Å; V389-F463 HydrophobicContact CG2-CD2 4.05Å; V389-M487 HydrophobicContact CG1-CE 3.71Å; V389-M487 HydrophobicContact CG1-SD 3.98Å; V389-M487 HydrophobicContact CG2-CE 4.43Å; V389-M487 HydrophobicContact CG2-SD 4.19Å
390	V	91.6	Very high	87.3	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	133.8	-175.7	-177.9	0	0	0	0	109.3	K394 R395 L396 Y461 T462 F508	V390-K394 VanDerWaalsContact CG1-CA 3.48Å; V390-K394 HydrophobicContact CG1-CB 4.41Å; V390-R395 WeakPolarHBondContact CA-O 3.43Å; V390-L396 HydrophobicContact CG2-CD1 4.3Å; V390-Y461 CarbonylContact O-C 3.59Å; V390-Y461 WeakPolarHBondContact O-CA 3.46Å; V390-Y461 WeakPolarHBondContact O-CB 3.35Å; V390-T462 PolarHBondContact N-O 3Å; V390-T462 PolarHBondContact O-N 2.79Å; V390-F508 HydrophobicContact CG1-CB 4.4Å; V390-F508 HydrophobicContact CG1-CD2 4.49Å
391	D	88.9	Confident	87.3	Confident	15 Å²	15	46 Å²	46	8%	0.08	22%	0.224	C	C	.	.			trans	-80.7	179.5	178.1	75.1	9.4	0	0	0	113.3	E393 K394 R395 V397 Y461	D391-E393 PolarHBondContact O-N 3.43Å; D391-E393 VanDerWaalsContact OD1-C 3.31Å; D391-E393 WeakPolarHBondContact OD1-CA 3.23Å; D391-E393 WeakPolarHBondContact OD1-CB 3.43Å; D391-E393 PolarHBondContact OD1-N 3.15Å; D391-K394 PolarHBondContact O-N 2.77Å; D391-K394 PolarHBondContact OD1-N 2.71Å; D391-K394 VanDerWaalsContact OD1-N 3.08Å; D391-R395 PolarHBondContact N-O 3.05Å; D391-R395 PolarHBondContact OD1-N 2.97Å; D391-R395 IonicContact OD1-NE 3.82Å; D391-R395 IonicContact OD2-CZ 3.57Å; D391-R395 IonicContact OD2-NE 3.81Å; D391-R395 PolarHBondContact OD2-NE 3.41Å; D391-R395 IonicContact OD2-NH2 3.04Å; D391-R395 PolarHBondContact OD2-NH2 2.93Å; D391-V397 HydrophobicContact CB-CG1 4Å; D391-Y461 HydrophobicContact CB-CD1 4.08Å; D391-Y461 HydrophobicContact CB-CE1 3.95Å
392	T	87.3	Confident	87.4	Confident	119 Å²	119	45.1 Å²	45.1	73%	0.73	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-17.6	179.5	52.9	0	0	0	0	114	K394	T392-K394 VanDerWaalsContact C-N 3.32Å
393	E	83.4	Confident	86.9	Confident	124 Å²	124	36.4 Å²	36.4	58%	0.579	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.8	7.7	176	-67.2	176.2	-153.8	0	0	112	D391 R395	D391-E393 PolarHBondContact O-N 3.43Å; D391-E393 VanDerWaalsContact OD1-C 3.31Å; D391-E393 WeakPolarHBondContact OD1-CA 3.23Å; D391-E393 WeakPolarHBondContact OD1-CB 3.43Å; D391-E393 PolarHBondContact OD1-N 3.15Å; E393-R395 VanDerWaalsContact C-N 3.31Å; E393-R395 HydrophobicContact CB-CG 4.07Å; E393-R395 IonicContact OE1-NH2 3.15Å; E393-R395 IonicContact OE2-CZ 2.83Å; E393-R395 IonicContact OE2-NE 3.95Å; E393-R395 IonicContact OE2-NH1 3.99Å; E393-R395 PolarHBondContact OE2-NH1 2.86Å; E393-R395 IonicContact OE2-NH2 3.86Å; E393-R395 PolarHBondContact OE2-NH2 3.05Å
394	K	83.3	Confident	86	Confident	123 Å²	123	35 Å²	35	54%	0.535	18%	0.175	S	C	.	.	S	Bend	trans	65.1	29.5	-177.8	-57.6	177.5	172.5	-175.7	0	114.1	V390 D391 T392 F508	V390-K394 VanDerWaalsContact CG1-CA 3.48Å; V390-K394 HydrophobicContact CG1-CB 4.41Å; D391-K394 PolarHBondContact O-N 2.77Å; D391-K394 PolarHBondContact OD1-N 2.71Å; D391-K394 VanDerWaalsContact OD1-N 3.08Å; T392-K394 VanDerWaalsContact C-N 3.32Å; K394-F508 HydrophobicContact CB-CB 4.48Å; K394-F508 HydrophobicContact CB-CD1 4.44Å; K394-F508 HydrophobicContact CB-CG 4.39Å; K394-F508 HydrophobicContact CD-CD1 3.63Å; K394-F508 HydrophobicContact CD-CE1 3.73Å; K394-F508 HydrophobicContact CD-CG 4.28Å; K394-F508 HydrophobicContact CD-CZ 4.42Å; K394-F508 VanDerWaalsContact CE-CE1 3.41Å; K394-F508 HydrophobicContact CG-CD1 4.13Å; K394-F508 HydrophobicContact CG-CE1 4.4Å; K394-F508 HydrophobicContact CG-CG 4.28Å
395	R	82.6	Confident	85.5	Confident	60 Å²	60	35 Å²	35	23%	0.226	18%	0.175	C	C	.	.			trans	-97.3	140.5	176.8	-49.7	176.9	-53.1	-153.2	-16.4	109.6	I149 V390 D391 E393 V397	I149-R395 HydrophobicContact CG2-CB 3.96Å; I149-R395 VanDerWaalsContact CG2-CD 3.5Å; I149-R395 HydrophobicContact CG2-CG 4.15Å; V390-R395 WeakPolarHBondContact CA-O 3.43Å; D391-R395 PolarHBondContact N-O 3.05Å; D391-R395 PolarHBondContact OD1-N 2.97Å; D391-R395 IonicContact OD1-NE 3.82Å; D391-R395 IonicContact OD2-CZ 3.57Å; D391-R395 IonicContact OD2-NE 3.81Å; D391-R395 PolarHBondContact OD2-NE 3.41Å; D391-R395 IonicContact OD2-NH2 3.04Å; D391-R395 PolarHBondContact OD2-NH2 2.93Å; E393-R395 VanDerWaalsContact C-N 3.31Å; E393-R395 HydrophobicContact CB-CG 4.07Å; E393-R395 IonicContact OE1-NH2 3.15Å; E393-R395 IonicContact OE2-CZ 2.83Å; E393-R395 IonicContact OE2-NE 3.95Å; E393-R395 IonicContact OE2-NH1 3.99Å; E393-R395 PolarHBondContact OE2-NH1 2.86Å; E393-R395 IonicContact OE2-NH2 3.86Å; E393-R395 PolarHBondContact OE2-NH2 3.05Å; R395-V397 PolarHBondContact O-N 3.24Å
396	L	84.1	Confident	85.3	Confident	11 Å²	11	35.4 Å²	35.4	6%	0.058	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	119	177.2	-173	64.1	0	0	0	109.2	K152 E388 V390 V399	K152-L396 HydrophobicContact CD-CB 4.35Å; K152-L396 HydrophobicContact CG-CB 3.99Å; K152-L396 HydrophobicContact CG-CD2 4.35Å; E388-L396 HydrophobicContact CB-CD1 3.63Å; E388-L396 HydrophobicContact CG-CD1 3.93Å; V390-L396 HydrophobicContact CG2-CD1 4.3Å; L396-V399 HydrophobicContact CD1-CG2 3.87Å; L396-V399 HydrophobicContact CD2-CG2 3.31Å; L396-V399 HydrophobicContact CG-CG2 3.64Å
397	V	86.5	Confident	85.3	Confident	29 Å²	29	31 Å²	31	18%	0.176	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	-22.4	-174.3	-67.6	0	0	0	0	113.6	V389 D391 R395 I456 Y461	V389-V397 HydrophobicContact CB-CG2 4.03Å; V389-V397 HydrophobicContact CG1-CG2 3.72Å; V389-V397 WeakPolarHBondContact O-CG2 3.45Å; V389-V397 PolarHBondContact O-N 3.4Å; D391-V397 HydrophobicContact CB-CG1 4Å; R395-V397 PolarHBondContact O-N 3.24Å; V397-I456 HydrophobicContact CB-CD1 3.99Å; V397-I456 HydrophobicContact CB-CG1 4.18Å; V397-I456 HydrophobicContact CG2-CD1 3.56Å; V397-I456 HydrophobicContact CG2-CG1 4.15Å; V397-Y461 HydrophobicContact CG2-CD1 3.99Å; V397-Y461 HydrophobicContact CG2-CE1 4.01Å
398	A	89.1	Confident	85.3	Confident	13 Å²	13	33.7 Å²	33.7	11%	0.107	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	150.2	165.6	0	0	0	0	0	110.9	V389 V451 D452 I456	V389-A398 HydrophobicContact CB-CB 4.1Å; V389-A398 HydrophobicContact CG2-CB 4.11Å; V389-A398 PolarHBondContact N-O 2.78Å; V389-A398 PolarHBondContact O-N 3.29Å; A398-V451 HydrophobicContact CB-CG2 3.82Å; A398-D452 WeakPolarHBondContact CB-O 3.25Å; A398-I456 HydrophobicContact CB-CD1 3.38Å; A398-I456 HydrophobicContact CB-CG1 4.46Å
399	V	89.4	Confident	85.4	Confident	59 Å²	59	33.9 Å²	33.9	36%	0.358	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	138.9	175.3	-178.7	0	0	0	0	108.2	Y387 L396	Y387-V399 CarbonylContact O-C 3.51Å; Y387-V399 WeakPolarHBondContact O-CA 3.5Å; L396-V399 HydrophobicContact CD1-CG2 3.87Å; L396-V399 HydrophobicContact CD2-CG2 3.31Å; L396-V399 HydrophobicContact CG-CG2 3.64Å
400	G	89.2	Confident	85.5	Confident	2 Å²	2	37 Å²	37	2%	0.021	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	170.5	166.4	0	0	0	0	0	109.5	Y387	Y387-G400 PolarHBondContact N-O 3.3Å; Y387-G400 PolarHBondContact O-N 2.99Å
401	H	88.3	Confident	85.7	Confident	51 Å²	51	41.2 Å²	41.2	24%	0.236	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	158.5	170.9	59.7	-65.9	0	0	0	109	N321 S385 S403	N321-H401 PolarHBondContact O-CE1 2.86Å; S385-H401 WeakPolarHBondContact O-CA 3.21Å; S385-H401 WeakPolarHBondContact O-CB 3.46Å; H401-S403 PolarHBondContact CD2-OG 2.69Å; H401-S403 PolarHBondContact NE2-OG 3.19Å; H401-S403 PolarHBondContact O-N 2.84Å; H401-S403 VanDerWaalsContact O-N 3.17Å
402	K	85.8	Confident	86.1	Confident	7 Å²	7	41.9 Å²	41.9	3%	0.03	22%	0.219	C	C	.	.			trans	-81	93.1	164.3	-174	67.7	-173	176.2	0	107.7	S385 Y387 S404 F405 Y442 D447 C448	S385-K402 PolarHBondContact O-N 2.91Å; S385-K402 WeakPolarHBondContact OG-CB 3.12Å; Y387-K402 WeakPolarHBondContact OH-CB 3.46Å; K402-S404 WeakPolarHBondContact CE-O 3.47Å; K402-F405 HydrophobicContact CG-CB 3.81Å; K402-F405 HydrophobicContact CG-CD1 4.19Å; K402-F405 HydrophobicContact CG-CG 4.36Å; K402-F405 WeakPolarHBondContact O-CD1 3.01Å; K402-Y442 HydrophobicContact CD-CD1 4.19Å; K402-Y442 HydrophobicContact CG-CD1 4.4Å; K402-Y442 HydrophobicContact CG-CE1 4.47Å; K402-D447 PolarHBondContact NZ-O 3.34Å; K402-C448 HydrophobicContact CD-CB 4.4Å
403	S	65.6	Low	86.5	Confident	11 Å²	11	41.5 Å²	41.5	8%	0.077	21%	0.208	C	C	.	.			trans	-69.5	154	152.8	-55.3	0	0	0	0	108.4	E320 C322 H401	E320-S403 WeakPolarHBondContact O-CB 3.18Å; E320-S403 PolarHBondContact O-OG 3.01Å; C322-S403 VanDerWaalsContact SG-CB 3.51Å; H401-S403 PolarHBondContact CD2-OG 2.69Å; H401-S403 PolarHBondContact NE2-OG 3.19Å; H401-S403 PolarHBondContact O-N 2.84Å; H401-S403 VanDerWaalsContact O-N 3.17Å
404	S	58.7	Low	87.1	Confident	11 Å²	11	42 Å²	42	8%	0.077	23%	0.225	C	C	.	.	S	Bend	trans	64	62.9	163.8	-57.5	0	0	0	0	116.5	E320 H379 K402	E320-S404 WeakPolarHBondContact CG-OG 3.46Å; E320-S404 WeakPolarHBondContact OE1-CB 3.41Å; E320-S404 PolarHBondContact OE1-OG 2.78Å; E320-S404 VanDerWaalsContact OE2-CB 3.22Å; E320-S404 WeakPolarHBondContact OE2-CB 3.13Å; E320-S404 PolarHBondContact OE2-OG 3.02Å; H379-S404 WeakPolarHBondContact CE1-CA 3.34Å; H379-S404 WeakPolarHBondContact CE1-CB 3.46Å; H379-S404 PolarHBondContact CE1-OG 2.92Å; H379-S404 WeakPolarHBondContact ND1-CA 3.34Å; H379-S404 PolarHBondContact ND1-OG 2.76Å; H379-S404 WeakPolarHBondContact NE2-CA 3.47Å; H379-S404 VanDerWaalsContact NE2-CB 3.3Å; H379-S404 WeakPolarHBondContact NE2-CB 3.48Å; K402-S404 WeakPolarHBondContact CE-O 3.47Å
405	F	77.6	Confident	87.7	Confident	1 Å²	1	40.2 Å²	40.2	0%	0.004	24%	0.241	C	C	.	.			trans	-120.1	154.5	177.6	64.5	-83.8	0	0	0	110.5	H379 M381 F384 K402 L407 Y442	H379-F405 WeakPolarHBondContact CA-O 3.45Å; H379-F405 PolarHBondContact CD2-O 3.05Å; H379-F405 VanDerWaalsContact CD2-O 3.31Å; M381-F405 HydrophobicContact CB-CE2 4.36Å; M381-F405 HydrophobicContact CB-CZ 3.58Å; M381-F405 HydrophobicContact CG-CE2 4.02Å; M381-F405 HydrophobicContact CG-CZ 3.74Å; M381-F405 WeakPolarHBondContact O-CE1 3.06Å; M381-F405 WeakPolarHBondContact O-CZ 3.35Å; M381-F405 HydrophobicContact SD-CE2 4.14Å; M381-F405 HydrophobicContact SD-CZ 4.1Å; F384-F405 HydrophobicContact CB-CD1 3.87Å; F384-F405 HydrophobicContact CB-CD2 3.92Å; F384-F405 HydrophobicContact CB-CE1 3.43Å; F384-F405 VanDerWaalsContact CB-CE1 3.43Å; F384-F405 HydrophobicContact CB-CE2 3.49Å; F384-F405 VanDerWaalsContact CB-CE2 3.49Å; F384-F405 HydrophobicContact CB-CG 4.11Å; F384-F405 HydrophobicContact CB-CZ 3.25Å; F384-F405 HydrophobicContact CD1-CD2 4.47Å; F384-F405 HydrophobicContact CG-CD2 4.27Å; F384-F405 HydrophobicContact CG-CE2 4.06Å; F384-F405 HydrophobicContact CG-CZ 4.29Å; K402-F405 HydrophobicContact CG-CB 3.81Å; K402-F405 HydrophobicContact CG-CD1 4.19Å; K402-F405 HydrophobicContact CG-CG 4.36Å; K402-F405 WeakPolarHBondContact O-CD1 3.01Å; F405-L407 HydrophobicContact CD2-CD2 3.74Å; F405-L407 HydrophobicContact CD2-CG 3.95Å; F405-L407 HydrophobicContact CE2-CD1 4.38Å; F405-L407 HydrophobicContact CE2-CD2 3.91Å; F405-L407 HydrophobicContact CE2-CG 3.87Å; F405-Y442 HydrophobicContact CB-CE1 3.51Å; F405-Y442 WeakPolarHBondContact CB-OH 3.25Å
406	C	86.6	Confident	88.3	Confident	8 Å²	8	40 Å²	40	5%	0.054	25%	0.246	C	C	.	.			trans	-126.9	123.6	167.4	171.1	0	0	0	0	108.7	H377 E408 C422 Q432 Y442	H377-C406 WeakPolarHBondContact ND1-CB 3.37Å; C406-E408 PolarHBondContact O-N 3.17Å; C406-C422 HydrophobicContact CB-CB 3.88Å; C406-C422 WeakPolarHBondContact CB-SG 3.28Å; C406-C422 WeakPolarHBondContact SG-CA 3.4Å; C406-C422 WeakPolarHBondContact SG-CB 3.45Å; C406-C422 CovalentContact SG-SG 1.99Å; C406-C422 PolarHBondContact SG-SG 2.83Å; C406-Q432 VanDerWaalsContact SG-CG 3.56Å; C406-Q432 PolarHBondContact SG-OE1 2.62Å; C406-Y442 PolarHBondContact O-OH 2.79Å
407	L	92.1	Very high	88.8	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	27%	0.271	C	S	.	.			trans	-77.5	117.2	-175.8	-60.3	176.6	0	0	0	110	F360 P362 M381 F384 F405 Q432 G433 I434 D440	F360-L407 HydrophobicContact CD1-CD1 3.86Å; F360-L407 HydrophobicContact CE1-CD1 3.75Å; P362-L407 HydrophobicContact CG-CD1 3.85Å; M381-L407 HydrophobicContact SD-CD1 4.14Å; F384-L407 HydrophobicContact CD1-CD2 4.18Å; F384-L407 HydrophobicContact CD2-CD2 3.93Å; F384-L407 HydrophobicContact CE1-CD2 4.05Å; F384-L407 HydrophobicContact CE2-CD2 3.79Å; F384-L407 HydrophobicContact CG-CD2 4.12Å; F384-L407 HydrophobicContact CZ-CD2 3.85Å; F405-L407 HydrophobicContact CD2-CD2 3.74Å; F405-L407 HydrophobicContact CD2-CG 3.95Å; F405-L407 HydrophobicContact CE2-CD1 4.38Å; F405-L407 HydrophobicContact CE2-CD2 3.91Å; F405-L407 HydrophobicContact CE2-CG 3.87Å; L407-Q432 HydrophobicContact CB-CB 4.35Å; L407-Q432 CarbonylContact O-C 3.6Å; L407-Q432 VanDerWaalsContact O-CA 3.23Å; L407-Q432 WeakPolarHBondContact O-CA 3.39Å; L407-G433 CarbonylContact C-O 3.52Å; L407-G433 PolarHBondContact O-N 2.92Å; L407-I434 HydrophobicContact CB-CG1 4.42Å; L407-I434 HydrophobicContact CD2-CD1 4.38Å; L407-D440 WeakPolarHBondContact CA-OD2 3.19Å; L407-D440 WeakPolarHBondContact CD2-OD2 3.42Å
408	E	93.3	Very high	89.2	Confident	56 Å²	56	44 Å²	44	26%	0.262	28%	0.279	S	S	.	.			trans	-142	160.2	-179.8	57.8	174.2	174	0	0	114.3	C406 N410 C422	C406-E408 PolarHBondContact O-N 3.17Å; E408-N410 VanDerWaalsContact C-N 3.31Å; E408-N410 VanDerWaalsContact CD-ND2 3.26Å; E408-N410 WeakPolarHBondContact CG-ND2 3.4Å; E408-N410 PolarHBondContact O-N 3.09Å; E408-N410 PolarHBondContact OE1-ND2 3.05Å; E408-C422 VanDerWaalsContact CD-SG 3.52Å; E408-C422 PolarHBondContact OE2-N 2.83Å
409	D	96.4	Very high	89.5	Confident	11 Å²	11	50 Å²	50	6%	0.059	30%	0.303	C	S	.	.			trans	-84	71.3	179	-69.2	-37	0	0	0	110.3	L411 P418 K419 F420 S435 C438	D409-L411 PolarHBondContact O-N 2.85Å; D409-P418 HydrophobicContact CB-CB 3.53Å; D409-K419 PolarHBondContact OD2-N 2.03Å; D409-F420 PolarHBondContact N-O 3.49Å; D409-F420 VanDerWaalsContact N-O 3.08Å; D409-F420 WeakPolarHBondContact OD2-CD2 3.08Å; D409-F420 PolarHBondContact OD2-N 2.98Å; D409-S435 WeakPolarHBondContact OD1-CB 3.44Å; D409-S435 PolarHBondContact OD1-N 2.82Å; D409-S435 WeakPolarHBondContact OD2-CB 3.47Å; D409-S435 PolarHBondContact OD2-OG 3.49Å; D409-C438 HydrophobicContact CB-CB 3.98Å; D409-C438 WeakPolarHBondContact OD1-CB 3.37Å
410	N	94.9	Very high	89.8	Confident	66 Å²	66	48 Å²	48	35%	0.353	29%	0.289	S	S	.	.	S	Bend	trans	-62.7	-40.4	-178.9	-61.9	125.5	0	0	0	112.7	E408 R439 D440 M441	E408-N410 VanDerWaalsContact C-N 3.31Å; E408-N410 VanDerWaalsContact CD-ND2 3.26Å; E408-N410 WeakPolarHBondContact CG-ND2 3.4Å; E408-N410 PolarHBondContact O-N 3.09Å; E408-N410 PolarHBondContact OE1-ND2 3.05Å; N410-R439 PolarHBondContact N-O 3.22Å; N410-D440 WeakPolarHBondContact OD1-CA 3.3Å; N410-D440 PolarHBondContact OD1-OD1 3.15Å; N410-M441 HydrophobicContact CB-CB 4.24Å; N410-M441 HydrophobicContact CB-CG 4.18Å; N410-M441 HydrophobicContact CB-SD 4.29Å; N410-M441 PolarHBondContact OD1-N 3.03Å
411	L	95.9	Very high	89.9	Confident	88 Å²	88	56 Å²	56	46%	0.461	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	127.4	-178.9	-178.8	65.3	0	0	0	111.3	D409 C438 R439 M441	D409-L411 PolarHBondContact O-N 2.85Å; L411-C438 CarbonylContact O-C 3.55Å; L411-C438 WeakPolarHBondContact O-CA 3.29Å; L411-R439 HydrophobicContact CB-CB 4.46Å; L411-R439 PolarHBondContact N-O 2.9Å; L411-R439 WeakPolarHBondContact O-CB 3.36Å; L411-R439 PolarHBondContact O-N 2.04Å; L411-M441 HydrophobicContact CB-SD 3.98Å; L411-M441 HydrophobicContact CD2-SD 4.39Å
412	C	97.5	Very high	89.9	Confident	30 Å²	30	55 Å²	55	20%	0.203	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	153.3	178.7	-57.2	0	0	0	0	112.3	V416 C438	C412-V416 HydrophobicContact CB-CB 4.06Å; C412-V416 HydrophobicContact CB-CG1 4.14Å; C412-V416 WeakPolarHBondContact CB-O 3.49Å; C412-C438 HydrophobicContact CB-CB 4.1Å; C412-C438 WeakPolarHBondContact CB-SG 3.41Å; C412-C438 WeakPolarHBondContact SG-CB 2.97Å; C412-C438 CovalentContact SG-SG 2.04Å; C412-C438 PolarHBondContact SG-SG 3.23Å
413	K	96.2	Very high	90.1	Very high	111 Å²	111	55.6 Å²	55.6	48%	0.483	32%	0.322	S	S	.	.			trans	-58.8	154.4	169.8	-72.6	176	-177.6	164.8	0	110.9	E353 G415 V416 G437	E353-K413 WeakPolarHBondContact OE1-CE 3.36Å; E353-K413 IonicContact OE1-NZ 2.66Å; E353-K413 PolarHBondContact OE1-NZ 2.86Å; K413-G415 PolarHBondContact O-N 3.34Å; K413-V416 HydrophobicContact CB-CG2 4.27Å; K413-V416 WeakPolarHBondContact O-CB 3.46Å; K413-V416 PolarHBondContact O-N 2.74Å; K413-G437 WeakPolarHBondContact CG-O 3.4Å; K413-G437 PolarHBondContact N-O 2.87Å
414	S	95.8	Very high	91	Very high	134 Å²	134	60.5 Å²	60.5	94%	0.937	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	130.3	175.8	-172.2	0	0	0	0	111.2	V416	S414-V416 VanDerWaalsContact C-N 3.33Å
415	G	95.1	Very high	92.3	Very high	85 Å²	85	63.5 Å²	63.5	88%	0.876	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.9	-6.8	-177.6	0	0	0	0	0	115.5	K413	K413-G415 PolarHBondContact O-N 3.34Å
416	V	95.8	Very high	92.5	Very high	55 Å²	55	66.9 Å²	66.9	33%	0.333	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-97.9	123.2	174.9	-178.4	0	0	0	0	109.4	C412 K413 S414 P436	C412-V416 HydrophobicContact CB-CB 4.06Å; C412-V416 HydrophobicContact CB-CG1 4.14Å; C412-V416 WeakPolarHBondContact CB-O 3.49Å; K413-V416 HydrophobicContact CB-CG2 4.27Å; K413-V416 WeakPolarHBondContact O-CB 3.46Å; K413-V416 PolarHBondContact O-N 2.74Å; S414-V416 VanDerWaalsContact C-N 3.33Å; V416-P436 WeakPolarHBondContact CG1-O 3.17Å
417	A	94.8	Very high	92.4	Very high	71 Å²	71	74 Å²	74	59%	0.587	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-87.3	132.3	176.7	0	0	0	0	0	110.9
418	P	95.9	Very high	92.1	Very high	53 Å²	53	76.7 Å²	76.7	34%	0.344	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-65.6	136.2	175	28	-34.3	0	0	0	110.4	D409	D409-P418 HydrophobicContact CB-CB 3.53Å
419	K	95.5	Very high	91.6	Very high	141 Å²	141	76.8 Å²	76.8	61%	0.613	44%	0.442	S	S	*	.			trans	-111.6	-32.8	-178.8	-62.7	-179	-178.3	174.2	0	113	D409	D409-K419 PolarHBondContact OD2-N 2.03Å
420	F	94.9	Very high	91	Very high	15 Å²	15	77.8 Å²	77.8	7%	0.066	45%	0.454	C	S	.	.			trans	-103.1	130.9	-175.7	-59.5	-74.2	0	0	0	110.7	V359 D409 Q432 G433 S435	V359-F420 HydrophobicContact CB-CE2 4.23Å; V359-F420 HydrophobicContact CB-CZ 4.38Å; V359-F420 HydrophobicContact CG1-CD2 4.22Å; V359-F420 HydrophobicContact CG1-CE1 4.48Å; V359-F420 HydrophobicContact CG1-CE2 3.24Å; V359-F420 HydrophobicContact CG1-CZ 3.42Å; V359-F420 VanDerWaalsContact CG1-CZ 3.42Å; V359-F420 HydrophobicContact CG2-CE2 3.89Å; V359-F420 HydrophobicContact CG2-CZ 4.12Å; D409-F420 PolarHBondContact N-O 3.49Å; D409-F420 VanDerWaalsContact N-O 3.08Å; D409-F420 WeakPolarHBondContact OD2-CD2 3.08Å; D409-F420 PolarHBondContact OD2-N 2.98Å; F420-Q432 VanDerWaalsContact CD1-C 3.46Å; F420-G433 WeakPolarHBondContact CB-O 3.09Å; F420-G433 WeakPolarHBondContact CD2-O 3.13Å; F420-G433 WeakPolarHBondContact CG-O 3.42Å; F420-S435 WeakPolarHBondContact CD2-OG 3.1Å; F420-S435 WeakPolarHBondContact CE2-OG 3.43Å
421	R	91.4	Very high	90.8	Very high	170 Å²	170	78 Å²	78	64%	0.642	46%	0.458	S	S	*	.	B	Isolated β-bridge	trans	-144.4	131.6	175.6	-65.3	-172.1	-162.6	-132.4	1.8	108.8	T431	R421-T431 CarbonylContact C-O 3.59Å; R421-T431 PolarHBondContact N-O 2.86Å
422	C	89.3	Confident	90.7	Very high	32 Å²	32	74.1 Å²	74.1	22%	0.216	44%	0.438	C	S	.	.			trans	-63.7	138.4	173.8	-57.7	0	0	0	0	110	C406 E408	C406-C422 HydrophobicContact CB-CB 3.88Å; C406-C422 WeakPolarHBondContact CB-SG 3.28Å; C406-C422 WeakPolarHBondContact SG-CA 3.4Å; C406-C422 WeakPolarHBondContact SG-CB 3.45Å; C406-C422 CovalentContact SG-SG 1.99Å; C406-C422 PolarHBondContact SG-SG 2.83Å; E408-C422 VanDerWaalsContact CD-SG 3.52Å; E408-C422 PolarHBondContact OE2-N 2.83Å
423	S	88.5	Confident	90.6	Very high	18 Å²	18	72.7 Å²	72.7	13%	0.126	43%	0.428	C	S	.	.			trans	-96.8	133.9	173.1	-171.8	0	0	0	0	109.4	V425 S428	S423-V425 VanDerWaalsContact C-N 3.32Å; S423-V425 PolarHBondContact OG-N 3.32Å; S423-S428 WeakPolarHBondContact CB-O 3.37Å; S423-S428 WeakPolarHBondContact OG-CB 3.48Å; S423-S428 PolarHBondContact OG-O 3.39Å; S423-S428 PolarHBondContact OG-OG 3.19Å
424	N	85.4	Confident	90.6	Very high	115 Å²	115	67.4 Å²	67.4	62%	0.615	41%	0.405	S	S	*	.			trans	-95.1	16.6	175.5	67	-21.7	0	0	0	113.8	M376	M376-N424 WeakPolarHBondContact O-CA 3.14Å
425	V	84.6	Confident	90.7	Very high	73 Å²	73	61.1 Å²	61.1	44%	0.442	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-116.9	121.5	-177.4	179.4	0	0	0	0	107.8	S423 D427 S428	S423-V425 VanDerWaalsContact C-N 3.32Å; S423-V425 PolarHBondContact OG-N 3.32Å; V425-D427 HydrophobicContact CG1-CB 4.44Å; V425-D427 PolarHBondContact O-N 2.85Å; V425-S428 CarbonylContact O-C 3.2Å; V425-S428 PolarHBondContact O-N 2.89Å
426	V	82.4	Confident	90.8	Very high	72 Å²	72	58.9 Å²	58.9	44%	0.436	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-40.6	-178.4	178.5	0	0	0	0	111.8	W371 Y378 S428	W371-V426 HydrophobicContact CD2-CG2 3.99Å; W371-V426 VanDerWaalsContact CE2-CG2 3.5Å; W371-V426 HydrophobicContact CE3-CG2 4.33Å; W371-V426 HydrophobicContact CH2-CG2 3.73Å; W371-V426 HydrophobicContact CZ2-CG2 3.36Å; W371-V426 HydrophobicContact CZ3-CG2 4.2Å; Y378-V426 WeakPolarHBondContact CE2-O 3.35Å; Y378-V426 PolarHBondContact OH-O 3.36Å; V426-S428 PolarHBondContact O-N 2.88Å
427	D	83.9	Confident	90.9	Very high	159 Å²	159	56.7 Å²	56.7	85%	0.85	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-0.4	-177.9	-59.7	-34.7	0	0	0	114	V425	V425-D427 HydrophobicContact CG1-CB 4.44Å; V425-D427 PolarHBondContact O-N 2.85Å
428	S	85.8	Confident	91.1	Very high	55 Å²	55	53.3 Å²	53.3	39%	0.385	29%	0.292	S	S	.	.	B	Isolated β-bridge	trans	-131.4	110.3	179.4	160.6	0	0	0	0	109.5	S423 V425 V426 G430	S423-S428 WeakPolarHBondContact CB-O 3.37Å; S423-S428 WeakPolarHBondContact OG-CB 3.48Å; S423-S428 PolarHBondContact OG-O 3.39Å; S423-S428 PolarHBondContact OG-OG 3.19Å; V425-S428 CarbonylContact O-C 3.2Å; V425-S428 PolarHBondContact O-N 2.89Å; V426-S428 PolarHBondContact O-N 2.88Å; S428-G430 PolarHBondContact O-N 2.7Å; S428-G430 VanDerWaalsContact O-N 3.16Å
429	K	82.6	Confident	91.2	Very high	59 Å²	59	54.5 Å²	54.5	26%	0.257	29%	0.29	S	S	.	.			trans	-68.6	-14.9	179.3	-63.3	-176.3	179.1	179.5	0	114.2	P366 D367 W369 Y378	P366-K429 HydrophobicContact CB-CD 4.2Å; P366-K429 VanDerWaalsContact O-CD 3.23Å; P366-K429 WeakPolarHBondContact O-CD 2.9Å; P366-K429 WeakPolarHBondContact O-CE 3.43Å; P366-K429 PolarHBondContact O-NZ 3.49Å; D367-K429 IonicContact OD1-NZ 3.71Å; D367-K429 PolarHBondContact OD1-NZ 3.39Å; W369-K429 HydrophobicContact CE3-CB 4.12Å; W369-K429 HydrophobicContact CZ3-CB 4.19Å; Y378-K429 HydrophobicContact CD2-CB 4.17Å; Y378-K429 HydrophobicContact CD2-CG 4.05Å; Y378-K429 HydrophobicContact CE1-CG 4.31Å; Y378-K429 HydrophobicContact CE2-CB 4.31Å; Y378-K429 HydrophobicContact CE2-CG 3.78Å; Y378-K429 HydrophobicContact CG-CG 4.43Å
430	G	85.6	Confident	91.1	Very high	31 Å²	31	47.9 Å²	47.9	32%	0.32	26%	0.261	S	S	.	.			trans	64.6	-156.6	-173	0	0	0	0	0	112.1	S428	S428-G430 PolarHBondContact O-N 2.7Å; S428-G430 VanDerWaalsContact O-N 3.16Å
431	T	90.4	Very high	91.1	Very high	70 Å²	70	49.7 Å²	49.7	43%	0.429	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-132.2	141.1	173.8	59	0	0	0	0	109.3	R421	R421-T431 CarbonylContact C-O 3.59Å; R421-T431 PolarHBondContact N-O 2.86Å
432	Q	93.7	Very high	91.2	Very high	7 Å²	7	42.1 Å²	42.1	3%	0.033	24%	0.242	C	C	.	.			trans	-125.5	139.1	-178.1	-59	-160.9	42.7	0	0	111.9	P362 W369 Y378 S380 C406 L407 F420	P362-Q432 HydrophobicContact CG-CB 4.33Å; W369-Q432 HydrophobicContact CE3-CG 4.48Å; W369-Q432 HydrophobicContact CH2-CB 3.98Å; W369-Q432 HydrophobicContact CH2-CG 3.89Å; W369-Q432 HydrophobicContact CZ2-CB 4.4Å; W369-Q432 HydrophobicContact CZ3-CB 4.44Å; W369-Q432 HydrophobicContact CZ3-CG 3.84Å; Y378-Q432 PolarHBondContact O-NE2 2.97Å; S380-Q432 PolarHBondContact OG-OE1 3.29Å; C406-Q432 VanDerWaalsContact SG-CG 3.56Å; C406-Q432 PolarHBondContact SG-OE1 2.62Å; L407-Q432 HydrophobicContact CB-CB 4.35Å; L407-Q432 CarbonylContact O-C 3.6Å; L407-Q432 VanDerWaalsContact O-CA 3.23Å; L407-Q432 WeakPolarHBondContact O-CA 3.39Å; F420-Q432 VanDerWaalsContact CD1-C 3.46Å
433	G	94.9	Very high	91.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.245	C	C	.	.			trans	155.8	173.9	177.5	0	0	0	0	0	112.2	F360 L407 F420	F360-G433 CarbonylContact O-C 3.58Å; F360-G433 WeakPolarHBondContact O-CA 3.42Å; L407-G433 CarbonylContact C-O 3.52Å; L407-G433 PolarHBondContact O-N 2.92Å; F420-G433 WeakPolarHBondContact CB-O 3.09Å; F420-G433 WeakPolarHBondContact CD2-O 3.13Å; F420-G433 WeakPolarHBondContact CG-O 3.42Å
434	I	96.9	Very high	91.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-120.6	113.8	176.8	-48.4	177.7	0	0	0	108.2	L293 I352 N354 F360 F384 L407 C438 D440	L293-I434 HydrophobicContact CD2-CD1 4.1Å; I352-I434 HydrophobicContact CG2-CD1 4.42Å; N354-I434 HydrophobicContact CB-CB 4.19Å; N354-I434 HydrophobicContact CB-CG2 3.66Å; N354-I434 PolarHBondContact ND2-O 2.02Å; F360-I434 HydrophobicContact CB-CB 4.28Å; F360-I434 PolarHBondContact N-O 2.79Å; F360-I434 PolarHBondContact O-N 3.22Å; F384-I434 HydrophobicContact CZ-CD1 4.38Å; L407-I434 HydrophobicContact CB-CG1 4.42Å; L407-I434 HydrophobicContact CD2-CD1 4.38Å; I434-C438 WeakPolarHBondContact CG2-O 3.41Å; I434-D440 HydrophobicContact CD1-CB 3.65Å; I434-D440 HydrophobicContact CG1-CB 4.05Å
435	S	97.7	Very high	91.9	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.014	25%	0.247	C	C	.	.			trans	-70.2	150	178.9	-65.4	0	0	0	0	111.7	D409 F420 G437 C438	D409-S435 WeakPolarHBondContact OD1-CB 3.44Å; D409-S435 PolarHBondContact OD1-N 2.82Å; D409-S435 WeakPolarHBondContact OD2-CB 3.47Å; D409-S435 PolarHBondContact OD2-OG 3.49Å; F420-S435 WeakPolarHBondContact CD2-OG 3.1Å; F420-S435 WeakPolarHBondContact CE2-OG 3.43Å; S435-G437 PolarHBondContact O-N 2.9Å; S435-C438 WeakPolarHBondContact O-CB 3.25Å; S435-C438 PolarHBondContact O-N 2.9Å
436	P	97.9	Very high	92.1	Very high	38 Å²	38	45.8 Å²	45.8	25%	0.247	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	124.6	170.3	-31.5	38.6	0	0	0	112.5	G356 V416 C438	G356-P436 WeakPolarHBondContact O-CB 3.39Å; V416-P436 WeakPolarHBondContact CG1-O 3.17Å; P436-C438 VanDerWaalsContact C-N 3.3Å
437	G	97.3	Very high	92.3	Very high	10 Å²	10	44.3 Å²	44.3	10%	0.103	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.9	7.5	-178.1	0	0	0	0	0	115.2	N354 K413 S435	N354-G437 PolarHBondContact O-N 3.45Å; K413-G437 WeakPolarHBondContact CG-O 3.4Å; K413-G437 PolarHBondContact N-O 2.87Å; S435-G437 PolarHBondContact O-N 2.9Å
438	C	98.4	Very high	92.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	164.3	171.5	-62	0	0	0	0	111.9	N354 D409 L411 C412 I434 S435 P436	N354-C438 PolarHBondContact N-O 3.34Å; D409-C438 HydrophobicContact CB-CB 3.98Å; D409-C438 WeakPolarHBondContact OD1-CB 3.37Å; L411-C438 CarbonylContact O-C 3.55Å; L411-C438 WeakPolarHBondContact O-CA 3.29Å; C412-C438 HydrophobicContact CB-CB 4.1Å; C412-C438 WeakPolarHBondContact CB-SG 3.41Å; C412-C438 WeakPolarHBondContact SG-CB 2.97Å; C412-C438 CovalentContact SG-SG 2.04Å; C412-C438 PolarHBondContact SG-SG 3.23Å; I434-C438 WeakPolarHBondContact CG2-O 3.41Å; S435-C438 WeakPolarHBondContact O-CB 3.25Å; S435-C438 PolarHBondContact O-N 2.9Å; P436-C438 VanDerWaalsContact C-N 3.3Å
439	R	97.3	Very high	92.9	Very high	78 Å²	78	34.2 Å²	34.2	29%	0.294	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	139.3	-176.8	-58.2	-179.8	174.6	-176.4	-3.3	110.3	I351 I352 E353 N410 L411	I351-R439 HydrophobicContact CG2-CB 4.17Å; I352-R439 CarbonylContact O-C 3.49Å; I352-R439 WeakPolarHBondContact O-CA 3.31Å; E353-R439 HydrophobicContact CB-CG 3.85Å; E353-R439 HydrophobicContact CG-CG 3.96Å; E353-R439 IonicContact OE2-CZ 2.82Å; E353-R439 VanDerWaalsContact OE2-CZ 3.22Å; E353-R439 IonicContact OE2-NE 3.83Å; E353-R439 PolarHBondContact OE2-NE 3.45Å; E353-R439 IonicContact OE2-NH2 3.23Å; E353-R439 PolarHBondContact OE2-NH2 3.27Å; N410-R439 PolarHBondContact N-O 3.22Å; L411-R439 HydrophobicContact CB-CB 4.46Å; L411-R439 PolarHBondContact N-O 2.9Å; L411-R439 WeakPolarHBondContact O-CB 3.36Å; L411-R439 PolarHBondContact O-N 2.04Å
440	D	95.2	Very high	93.5	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.011	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	136.9	166.4	-170	-4.5	0	0	0	108.6	I351 I352 L407 N410 I434 Y442	I351-D440 CarbonylContact C-O 3.59Å; I351-D440 WeakPolarHBondContact CA-O 3.04Å; I352-D440 PolarHBondContact N-O 3.46Å; I352-D440 PolarHBondContact O-N 3.44Å; L407-D440 WeakPolarHBondContact CA-OD2 3.19Å; L407-D440 WeakPolarHBondContact CD2-OD2 3.42Å; N410-D440 WeakPolarHBondContact OD1-CA 3.3Å; N410-D440 PolarHBondContact OD1-OD1 3.15Å; I434-D440 HydrophobicContact CD1-CB 3.65Å; I434-D440 HydrophobicContact CG1-CB 4.05Å; D440-Y442 HydrophobicContact CB-CE2 4.33Å; D440-Y442 VanDerWaalsContact CG-CE2 3.43Å; D440-Y442 WeakPolarHBondContact OD1-CE2 3.01Å; D440-Y442 VanDerWaalsContact OD2-CE2 3.24Å; D440-Y442 WeakPolarHBondContact OD2-CE2 3.18Å; D440-Y442 VanDerWaalsContact OD2-CZ 3.23Å; D440-Y442 PolarHBondContact OD2-OH 3.11Å
441	M	94.5	Very high	93.9	Very high	52 Å²	52	30 Å²	30	26%	0.256	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	101.2	-166.8	-67.1	179.2	64.4	0	0	111.5	I351 N410 L411 L443	I351-M441 HydrophobicContact CB-CG 4.48Å; I351-M441 HydrophobicContact CD1-CE 3.85Å; I351-M441 HydrophobicContact CD1-CG 4.3Å; I351-M441 HydrophobicContact CG1-CB 4.37Å; I351-M441 HydrophobicContact CG1-CE 4.48Å; I351-M441 HydrophobicContact CG1-CG 4.05Å; I351-M441 HydrophobicContact CG2-CG 3.91Å; N410-M441 HydrophobicContact CB-CB 4.24Å; N410-M441 HydrophobicContact CB-CG 4.18Å; N410-M441 HydrophobicContact CB-SD 4.29Å; N410-M441 PolarHBondContact OD1-N 3.03Å; L411-M441 HydrophobicContact CB-SD 3.98Å; L411-M441 HydrophobicContact CD2-SD 4.39Å; M441-L443 HydrophobicContact CE-CD2 4.17Å
442	Y	92.6	Very high	94.1	Very high	11 Å²	11	27.1 Å²	27.1	4%	0.043	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	102.1	170.8	-58.6	-81.6	0	0	0	110.1	S349 S350 I352 F384 K402 F405 C406 D440	S349-Y442 CarbonylContact C-O 3.56Å; S349-Y442 VanDerWaalsContact CA-O 3.27Å; S349-Y442 WeakPolarHBondContact CA-O 3.49Å; S350-Y442 PolarHBondContact N-O 2.92Å; S350-Y442 PolarHBondContact O-N 3.4Å; I352-Y442 HydrophobicContact CD1-CD2 4Å; I352-Y442 HydrophobicContact CD1-CE2 4.39Å; F384-Y442 HydrophobicContact CD1-CE2 4.23Å; F384-Y442 AromaticContact CE1-CE2 3.81Å; F384-Y442 HydrophobicContact CE1-CE2 3.81Å; K402-Y442 HydrophobicContact CD-CD1 4.19Å; K402-Y442 HydrophobicContact CG-CD1 4.4Å; K402-Y442 HydrophobicContact CG-CE1 4.47Å; F405-Y442 HydrophobicContact CB-CE1 3.51Å; F405-Y442 WeakPolarHBondContact CB-OH 3.25Å; C406-Y442 PolarHBondContact O-OH 2.79Å; D440-Y442 HydrophobicContact CB-CE2 4.33Å; D440-Y442 VanDerWaalsContact CG-CE2 3.43Å; D440-Y442 WeakPolarHBondContact OD1-CE2 3.01Å; D440-Y442 VanDerWaalsContact OD2-CE2 3.24Å; D440-Y442 WeakPolarHBondContact OD2-CE2 3.18Å; D440-Y442 VanDerWaalsContact OD2-CZ 3.23Å; D440-Y442 PolarHBondContact OD2-OH 3.11Å
443	L	94.8	Very high	94.1	Very high	54 Å²	54	26.9 Å²	26.9	28%	0.283	13%	0.131	S	C	.	.			trans	-83.4	150.4	-175.1	-60.6	179.9	0	0	0	112.1	M441 D445 Y446 Q449	M441-L443 HydrophobicContact CE-CD2 4.17Å; L443-D445 WeakPolarHBondContact CB-OD1 3.42Å; L443-D445 PolarHBondContact O-N 3.34Å; L443-Y446 HydrophobicContact CB-CE1 4.45Å; L443-Y446 HydrophobicContact CB-CE2 4.41Å; L443-Y446 WeakPolarHBondContact O-CB 3.45Å; L443-Y446 PolarHBondContact O-N 3.13Å; L443-Q449 WeakPolarHBondContact O-CG 3.11Å
444	H	93.8	Very high	93.8	Very high	63 Å²	63	27 Å²	27	29%	0.292	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-19.6	-175.8	58.4	55.2	0	0	0	115.2	Y305 R347 S349	Y305-H444 HydrophobicContact CE1-CB 3.89Å; Y305-H444 AromaticContact CE1-CG 3.71Å; Y305-H444 AromaticContact CE1-ND1 3.63Å; R347-H444 HydrophobicContact CB-CB 4.33Å; R347-H444 WeakPolarHBondContact CB-O 3.49Å; R347-H444 WeakPolarHBondContact CD-O 3.34Å; R347-H444 WeakPolarHBondContact CG-O 3.36Å; R347-H444 PolarHBondContact NH1-O 3Å; S349-H444 PolarHBondContact OG-CD2 2.73Å; S349-H444 VanDerWaalsContact OG-CD2 3.27Å; S349-H444 PolarHBondContact OG-N 2.8Å
445	D	90.6	Very high	93.1	Very high	93 Å²	93	28.5 Å²	28.5	50%	0.497	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-6.3	179.9	58.8	-32.7	0	0	0	113.7	L443	L443-D445 WeakPolarHBondContact CB-OD1 3.42Å; L443-D445 PolarHBondContact O-N 3.34Å
446	Y	89	Confident	92.5	Very high	106 Å²	106	28.7 Å²	28.7	42%	0.416	14%	0.141	S	C	.	.	S	Bend	trans	-77.2	154.7	175.5	-65	-9.3	0	0	0	112.5	R347 L443 Q449	R347-Y446 PolarHBondContact NH1-O 2.76Å; L443-Y446 HydrophobicContact CB-CE1 4.45Å; L443-Y446 HydrophobicContact CB-CE2 4.41Å; L443-Y446 WeakPolarHBondContact O-CB 3.45Å; L443-Y446 PolarHBondContact O-N 3.13Å; Y446-Q449 WeakPolarHBondContact O-CB 3.48Å; Y446-Q449 PolarHBondContact O-N 3.5Å
447	D	85.8	Confident	91.9	Very high	41 Å²	41	28.4 Å²	28.4	22%	0.219	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	147.8	172.5	-80.1	-19.6	0	0	0	111.5	R347 K402 Q449	R347-D447 IonicContact NH2-OD1 3.78Å; K402-D447 PolarHBondContact NZ-O 3.34Å; D447-Q449 PolarHBondContact O-N 3.12Å
448	C	88.7	Confident	91.5	Very high	1 Å²	1	31 Å²	31	1%	0.007	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	7.1	-173.9	-49.6	0	0	0	0	115.6	E320 C322 K402 W450	E320-C448 PolarHBondContact OE2-SG 3.23Å; C322-C448 HydrophobicContact CB-CB 3.71Å; C322-C448 WeakPolarHBondContact CB-SG 3.42Å; C322-C448 WeakPolarHBondContact SG-CB 3.41Å; C322-C448 CovalentContact SG-SG 2Å; C322-C448 PolarHBondContact SG-SG 3.03Å; K402-C448 HydrophobicContact CD-CB 4.4Å; C448-W450 PolarHBondContact O-N 3.38Å; C448-W450 VanDerWaalsContact O-N 3.16Å
449	Q	93.4	Very high	91.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.169	C	C	.	.			trans	-91.8	52.8	176	-165.9	46	61	0	0	110.7	F348 S350 Y387 L443 Y446 D447	F348-Q449 PolarHBondContact N-O 2.91Å; F348-Q449 WeakPolarHBondContact O-CG 3.29Å; F348-Q449 PolarHBondContact O-NE2 2.75Å; S350-Q449 PolarHBondContact OG-NE2 3.25Å; S350-Q449 VanDerWaalsContact OG-NE2 3.11Å; Y387-Q449 PolarHBondContact OH-NE2 3.17Å; Y387-Q449 PolarHBondContact OH-OE1 3.09Å; L443-Q449 WeakPolarHBondContact O-CG 3.11Å; Y446-Q449 WeakPolarHBondContact O-CB 3.48Å; Y446-Q449 PolarHBondContact O-N 3.5Å; D447-Q449 PolarHBondContact O-N 3.12Å
450	W	94.9	Very high	91.1	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.008	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	168.6	-176.4	45.1	-97.3	0	0	0	111.6	L314 A317 C322 L323 L345 M346 R347 C448 D452	L314-W450 HydrophobicContact CD2-CZ2 4.31Å; A317-W450 HydrophobicContact CB-CH2 4.35Å; A317-W450 HydrophobicContact CB-CZ2 3.71Å; C322-W450 HydrophobicContact CB-CH2 4.1Å; C322-W450 HydrophobicContact CB-CZ2 4.31Å; L323-W450 HydrophobicContact CD2-CH2 3.61Å; L323-W450 HydrophobicContact CD2-CZ3 4.09Å; L323-W450 HydrophobicContact CG-CH2 3.85Å; L345-W450 HydrophobicContact CB-CB 4.22Å; L345-W450 HydrophobicContact CB-CD2 4.22Å; L345-W450 HydrophobicContact CB-CE3 4.37Å; L345-W450 HydrophobicContact CB-CG 4.18Å; L345-W450 HydrophobicContact CD1-CD2 3.91Å; L345-W450 HydrophobicContact CD1-CE3 4.38Å; L345-W450 HydrophobicContact CD1-CG 4.23Å; L345-W450 HydrophobicContact CD1-CZ2 4.16Å; L345-W450 HydrophobicContact CD2-CD2 4.09Å; L345-W450 HydrophobicContact CD2-CE3 3.69Å; L345-W450 HydrophobicContact CD2-CH2 4.15Å; L345-W450 HydrophobicContact CD2-CZ2 4.48Å; L345-W450 HydrophobicContact CD2-CZ3 3.75Å; L345-W450 HydrophobicContact CG-CD2 4.29Å; L345-W450 HydrophobicContact CG-CE3 4.35Å; M346-W450 CarbonylContact O-C 3.53Å; M346-W450 WeakPolarHBondContact O-CA 3.45Å; M346-W450 WeakPolarHBondContact O-CB 3.37Å; R347-W450 HydrophobicContact CB-CB 4.45Å; R347-W450 HydrophobicContact CG-CB 3.73Å; R347-W450 HydrophobicContact CG-CG 4.27Å; R347-W450 VanDerWaalsContact CZ-CD1 3.5Å; C448-W450 PolarHBondContact O-N 3.38Å; C448-W450 VanDerWaalsContact O-N 3.16Å; W450-D452 HydrophobicContact CZ3-CB 4.04Å
451	V	95.1	Very high	91.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	134.4	165.9	58.9	0	0	0	0	109.8	M346 F348 V389 A398 I453 F463	M346-V451 HydrophobicContact CB-CG1 3.97Å; M346-V451 HydrophobicContact CE-CG1 3.67Å; M346-V451 PolarHBondContact N-O 2.65Å; M346-V451 PolarHBondContact O-N 3.45Å; F348-V451 HydrophobicContact CE1-CG1 4.47Å; V389-V451 HydrophobicContact CG2-CG1 4.01Å; V389-V451 HydrophobicContact CG2-CG2 4.13Å; A398-V451 HydrophobicContact CB-CG2 3.82Å; V451-I453 HydrophobicContact CG1-CG2 4Å; V451-I453 PolarHBondContact O-N 3.23Å; V451-F463 HydrophobicContact CG1-CD2 4.47Å; V451-F463 HydrophobicContact CG1-CE2 3.85Å
452	D	93.4	Very high	91.3	Very high	9 Å²	9	34.6 Å²	34.6	5%	0.048	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	114.4	175.2	-173.8	-19.6	0	0	0	109.1	P324 R343 L345 A398 W450 T454	P324-D452 HydrophobicContact CG-CB 4.16Å; R343-D452 IonicContact CZ-OD1 2.81Å; R343-D452 IonicContact CZ-OD2 2.81Å; R343-D452 VanDerWaalsContact CZ-OD2 3.23Å; R343-D452 IonicContact NE-OD1 2.82Å; R343-D452 IonicContact NE-OD2 3.18Å; R343-D452 PolarHBondContact NE-OD2 2.89Å; R343-D452 IonicContact NH2-OD1 3.87Å; R343-D452 PolarHBondContact NH2-OD1 3.49Å; R343-D452 IonicContact NH2-OD2 3.23Å; R343-D452 PolarHBondContact NH2-OD2 3.12Å; L345-D452 HydrophobicContact CD2-CB 4.16Å; A398-D452 WeakPolarHBondContact CB-O 3.25Å; W450-D452 HydrophobicContact CZ3-CB 4.04Å; D452-T454 WeakPolarHBondContact OD1-CB 3.34Å; D452-T454 PolarHBondContact OD1-N 3.3Å; D452-T454 PolarHBondContact OD1-OG1 3.48Å
453	I	93.2	Very high	91.5	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.01	18%	0.182	C	C	.	.			trans	-112.7	18.3	178.8	61.2	164.3	0	0	0	111.6	I306 T344 M346 V389 V451 D455 I456	I306-I453 HydrophobicContact CD1-CD1 3.79Å; I306-I453 HydrophobicContact CG1-CD1 4.13Å; T344-I453 HydrophobicContact CG2-CD1 4.31Å; T344-I453 HydrophobicContact CG2-CG1 4.02Å; T344-I453 WeakPolarHBondContact O-CG1 3.36Å; T344-I453 PolarHBondContact O-N 3Å; M346-I453 HydrophobicContact CB-CD1 4.01Å; M346-I453 HydrophobicContact CB-CG1 4.29Å; M346-I453 HydrophobicContact CB-CG2 4.26Å; V389-I453 HydrophobicContact CG2-CG2 4.21Å; V451-I453 HydrophobicContact CG1-CG2 4Å; V451-I453 PolarHBondContact O-N 3.23Å; I453-D455 VanDerWaalsContact C-N 3.25Å; I453-D455 PolarHBondContact O-N 2.88Å; I453-I456 HydrophobicContact CB-CB 4.48Å; I453-I456 HydrophobicContact CB-CD1 4.33Å; I453-I456 HydrophobicContact CG2-CD1 4.2Å; I453-I456 PolarHBondContact O-N 3.45Å; I453-I456 VanDerWaalsContact O-N 3.17Å
454	T	88.5	Confident	91.6	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.018	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-43.3	-177.2	-51.7	0	0	0	0	111.7	H88 L90 R343 T344 D452 I456	H88-T454 PolarHBondContact CE1-O 2.95Å; H88-T454 VanDerWaalsContact CE1-O 3.23Å; H88-T454 PolarHBondContact NE2-O 2.82Å; L90-T454 HydrophobicContact CD1-CG2 3.99Å; L90-T454 HydrophobicContact CD2-CG2 3.95Å; L90-T454 WeakPolarHBondContact CD2-O 3.37Å; R343-T454 WeakPolarHBondContact CA-OG1 3.44Å; R343-T454 VanDerWaalsContact CZ-CB 3.42Å; R343-T454 VanDerWaalsContact CZ-OG1 3.26Å; R343-T454 PolarHBondContact NE-OG1 3.22Å; R343-T454 VanDerWaalsContact NH2-CB 3.34Å; R343-T454 PolarHBondContact NH2-OG1 3.28Å; T344-T454 PolarHBondContact N-OG1 3.24Å; T344-T454 PolarHBondContact O-N 3.09Å; D452-T454 WeakPolarHBondContact OD1-CB 3.34Å; D452-T454 PolarHBondContact OD1-N 3.3Å; D452-T454 PolarHBondContact OD1-OG1 3.48Å; T454-I456 VanDerWaalsContact C-N 3.3Å; T454-I456 PolarHBondContact O-N 2.79Å
455	D	83.2	Confident	91.7	Very high	31 Å²	31	28.6 Å²	28.6	17%	0.166	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	8.8	-173	-59.5	-68.5	0	0	0	113	H88 A144 Q145 R343 I453	H88-D455 VanDerWaalsContact CE1-C 3.41Å; A144-D455 HydrophobicContact CB-CB 4.36Å; Q145-D455 PolarHBondContact N-OD1 2.79Å; Q145-D455 VanDerWaalsContact N-OD1 3.12Å; R343-D455 IonicContact CZ-OD2 3.73Å; R343-D455 IonicContact NH1-OD2 3.79Å; R343-D455 IonicContact NH2-OD2 3.78Å; R343-D455 PolarHBondContact NH2-OD2 3.1Å; I453-D455 VanDerWaalsContact C-N 3.25Å; I453-D455 PolarHBondContact O-N 2.88Å
456	I	85.5	Confident	91.8	Very high	7 Å²	7	24.4 Å²	24.4	4%	0.036	13%	0.133	C	C	.	.	S	Bend	trans	-105	128.4	177.8	-59.4	175.6	0	0	0	110.7	H88 V389 V397 A398 I453 T454 Y461	H88-I456 PolarHBondContact CE1-N 2.59Å; H88-I456 PolarHBondContact CE1-O 3.42Å; H88-I456 PolarHBondContact NE2-O 3.02Å; V389-I456 HydrophobicContact CB-CD1 4.11Å; V389-I456 HydrophobicContact CG1-CD1 3.96Å; V397-I456 HydrophobicContact CB-CD1 3.99Å; V397-I456 HydrophobicContact CB-CG1 4.18Å; V397-I456 HydrophobicContact CG2-CD1 3.56Å; V397-I456 HydrophobicContact CG2-CG1 4.15Å; A398-I456 HydrophobicContact CB-CD1 3.38Å; A398-I456 HydrophobicContact CB-CG1 4.46Å; I453-I456 HydrophobicContact CB-CB 4.48Å; I453-I456 HydrophobicContact CB-CD1 4.33Å; I453-I456 HydrophobicContact CG2-CD1 4.2Å; I453-I456 PolarHBondContact O-N 3.45Å; I453-I456 VanDerWaalsContact O-N 3.17Å; T454-I456 VanDerWaalsContact C-N 3.3Å; T454-I456 PolarHBondContact O-N 2.79Å; I456-Y461 HydrophobicContact CG2-CD1 4.3Å; I456-Y461 HydrophobicContact CG2-CD2 4.43Å; I456-Y461 HydrophobicContact CG2-CE1 3.56Å; I456-Y461 HydrophobicContact CG2-CE2 3.7Å; I456-Y461 VanDerWaalsContact CG2-OH 3.28Å; I456-Y461 WeakPolarHBondContact CG2-OH 3.49Å
457	A	84.8	Confident	92.1	Very high	32 Å²	32	19.4 Å²	19.4	26%	0.264	11%	0.113	S	C	.	.			trans	-70.2	154.6	179.7	0	0	0	0	0	112.5	H88 G459 Y461 H489	H88-A457 HydrophobicContact CB-CB 3.71Å; H88-A457 PolarHBondContact CE1-N 2.77Å; H88-A457 PolarHBondContact ND1-N 2.97Å; A457-G459 PolarHBondContact O-N 2.79Å; A457-Y461 VanDerWaalsContact O-CE2 3.26Å; A457-Y461 WeakPolarHBondContact O-CE2 3.5Å; A457-Y461 PolarHBondContact O-OH 2.96Å; A457-H489 PolarHBondContact O-CD2 3.15Å
458	P	89.7	Confident	92.3	Very high	65 Å²	65	17.6 Å²	17.6	42%	0.422	10%	0.104	S	C	.	.	S	Bend	trans	-53.7	134.2	166.3	-25.9	35.6	0	0	0	111.4	H489	P458-H489 CarbonylContact C-O 3.59Å; P458-H489 VanDerWaalsContact CA-O 3.25Å; P458-H489 WeakPolarHBondContact CA-O 3.36Å; P458-H489 WeakPolarHBondContact CB-O 3.49Å
459	G	91.7	Very high	92.3	Very high	25 Å²	25	18.4 Å²	18.4	26%	0.258	11%	0.109	S	C	.	.	E	Extended strand (participates in β ladder)	trans	169.2	-168.2	-170.9	0	0	0	0	0	113.7	A457 H489	A457-G459 PolarHBondContact O-N 2.79Å; G459-H489 PolarHBondContact N-O 2.92Å; G459-H489 PolarHBondContact O-N 3.4Å
460	Q	95.6	Very high	91.9	Very high	107 Å²	107	22.3 Å²	22.3	50%	0.5	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	130.3	176.9	-63.3	-62.6	-20	0	0	109.8	T488	Q460-T488 PolarHBondContact NE2-OG1 3.28Å; Q460-T488 VanDerWaalsContact NE2-OG1 3.16Å; Q460-T488 PolarHBondContact OE1-OG1 3.31Å
461	Y	96.3	Very high	91.6	Very high	38 Å²	38	23.1 Å²	23.1	15%	0.149	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	169.1	-176.1	-63.4	-86.2	0	0	0	109.9	V389 V390 D391 V397 I456 A457 M487 H489	V389-Y461 HydrophobicContact CG1-CD1 3.9Å; V389-Y461 HydrophobicContact CG1-CG 3.95Å; V390-Y461 CarbonylContact O-C 3.59Å; V390-Y461 WeakPolarHBondContact O-CA 3.46Å; V390-Y461 WeakPolarHBondContact O-CB 3.35Å; D391-Y461 HydrophobicContact CB-CD1 4.08Å; D391-Y461 HydrophobicContact CB-CE1 3.95Å; V397-Y461 HydrophobicContact CG2-CD1 3.99Å; V397-Y461 HydrophobicContact CG2-CE1 4.01Å; I456-Y461 HydrophobicContact CG2-CD1 4.3Å; I456-Y461 HydrophobicContact CG2-CD2 4.43Å; I456-Y461 HydrophobicContact CG2-CE1 3.56Å; I456-Y461 HydrophobicContact CG2-CE2 3.7Å; I456-Y461 VanDerWaalsContact CG2-OH 3.28Å; I456-Y461 WeakPolarHBondContact CG2-OH 3.49Å; A457-Y461 VanDerWaalsContact O-CE2 3.26Å; A457-Y461 WeakPolarHBondContact O-CE2 3.5Å; A457-Y461 PolarHBondContact O-OH 2.96Å; Y461-M487 HydrophobicContact CD2-CE 3.91Å; Y461-M487 HydrophobicContact CG-CE 4.07Å; Y461-M487 PolarHBondContact N-O 3.33Å; Y461-M487 PolarHBondContact O-N 3.5Å; Y461-H489 HydrophobicContact CD2-CB 4.35Å; Y461-H489 HydrophobicContact CE2-CB 4.43Å
462	T	96.5	Very high	91.2	Very high	37 Å²	37	27.3 Å²	27.3	23%	0.227	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	125.1	164.5	-56.8	0	0	0	0	107.7	V390 Q464 T484 C485	V390-T462 PolarHBondContact N-O 3Å; V390-T462 PolarHBondContact O-N 2.79Å; T462-Q464 HydrophobicContact CG2-CG 3.93Å; T462-T484 WeakPolarHBondContact CG2-OG1 3.47Å; T462-C485 CarbonylContact C-O 3.56Å; T462-C485 WeakPolarHBondContact CA-O 3.46Å
463	F	97.3	Very high	91.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	135.4	171	-179.6	-108.3	0	0	0	109.5	L300 M346 F348 E388 V389 V451 V465 T484 C485 M487 L496	L300-F463 HydrophobicContact CD1-CE1 4.12Å; M346-F463 HydrophobicContact CE-CD1 4.17Å; M346-F463 HydrophobicContact CE-CD2 3.39Å; M346-F463 HydrophobicContact CE-CE1 4.2Å; M346-F463 HydrophobicContact CE-CE2 3.42Å; M346-F463 VanDerWaalsContact CE-CE2 3.42Å; M346-F463 HydrophobicContact CE-CG 3.77Å; M346-F463 HydrophobicContact CE-CZ 3.84Å; F348-F463 HydrophobicContact CD1-CZ 4.03Å; F348-F463 HydrophobicContact CD2-CZ 4.48Å; F348-F463 HydrophobicContact CE1-CE1 4.41Å; F348-F463 HydrophobicContact CE1-CE2 4.2Å; F348-F463 AromaticContact CE1-CZ 3.56Å; F348-F463 HydrophobicContact CE1-CZ 3.56Å; F348-F463 HydrophobicContact CE2-CE1 4.41Å; F348-F463 HydrophobicContact CE2-CZ 4.04Å; F348-F463 HydrophobicContact CG-CZ 4.48Å; F348-F463 HydrophobicContact CZ-CE1 4.37Å; F348-F463 HydrophobicContact CZ-CE2 4.48Å; F348-F463 AromaticContact CZ-CZ 3.59Å; F348-F463 HydrophobicContact CZ-CZ 3.59Å; E388-F463 WeakPolarHBondContact O-CA 3.49Å; V389-F463 HydrophobicContact CG2-CD2 4.05Å; V451-F463 HydrophobicContact CG1-CD2 4.47Å; V451-F463 HydrophobicContact CG1-CE2 3.85Å; F463-V465 HydrophobicContact CE1-CB 4.36Å; F463-T484 WeakPolarHBondContact O-CA 3.5Å; F463-C485 PolarHBondContact N-O 3.4Å; F463-C485 PolarHBondContact O-N 3.25Å; F463-M487 HydrophobicContact CB-CB 3.94Å; F463-M487 HydrophobicContact CB-CG 4.5Å; F463-M487 HydrophobicContact CB-SD 4.09Å; F463-L496 HydrophobicContact CB-CD2 3.62Å; F463-L496 HydrophobicContact CD1-CD1 3.65Å; F463-L496 HydrophobicContact CD1-CD2 3.99Å; F463-L496 HydrophobicContact CE1-CD1 4.11Å; F463-L496 HydrophobicContact CG-CD1 4.45Å; F463-L496 HydrophobicContact CG-CD2 4Å
464	Q	96	Very high	91.1	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	134.9	-177.5	-58.1	-178.5	-34.3	0	0	109.7	Y387 E388 T462 L483 L507	Y387-Q464 WeakPolarHBondContact CA-O 3.4Å; E388-Q464 HydrophobicContact CB-CB 4.32Å; E388-Q464 PolarHBondContact N-O 3.22Å; E388-Q464 PolarHBondContact O-N 2.89Å; T462-Q464 HydrophobicContact CG2-CG 3.93Å; Q464-L483 WeakPolarHBondContact CA-O 3.48Å; Q464-L507 HydrophobicContact CB-CD2 4.01Å; Q464-L507 HydrophobicContact CG-CD2 4.07Å
465	V	95.6	Very high	91.4	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	134.9	171.7	57.6	0	0	0	0	109.1	L300 R386 Y387 F463 F467 A482 L483	L300-V465 HydrophobicContact CD1-CG1 4.47Å; L300-V465 HydrophobicContact CD2-CG1 3.55Å; R386-V465 WeakPolarHBondContact O-CA 3.25Å; Y387-V465 HydrophobicContact CD1-CB 4.21Å; Y387-V465 HydrophobicContact CD1-CG2 3.67Å; Y387-V465 HydrophobicContact CE1-CG2 3.72Å; F463-V465 HydrophobicContact CE1-CB 4.36Å; V465-F467 HydrophobicContact CG1-CE2 4.26Å; V465-F467 HydrophobicContact CG2-CD2 4.44Å; V465-F467 HydrophobicContact CG2-CE1 4.23Å; V465-F467 HydrophobicContact CG2-CE2 3.58Å; V465-F467 HydrophobicContact CG2-CZ 3.46Å; V465-F467 VanDerWaalsContact CG2-CZ 3.46Å; V465-A482 CarbonylContact O-C 3.6Å; V465-A482 WeakPolarHBondContact O-CA 3.31Å; V465-A482 VanDerWaalsContact O-CB 3.29Å; V465-A482 WeakPolarHBondContact O-CB 3.43Å; V465-L483 HydrophobicContact CG1-CB 3.87Å; V465-L483 HydrophobicContact CG1-CD1 4.48Å; V465-L483 PolarHBondContact N-O 3.18Å; V465-L483 PolarHBondContact O-N 2.95Å
466	S	94.5	Very high	91.9	Very high	5 Å²	5	28 Å²	28	4%	0.035	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	148.3	175.1	57.2	0	0	0	0	111.2	S385 R386 N481	S385-S466 CarbonylContact C-O 3.59Å; S385-S466 WeakPolarHBondContact CA-O 3.18Å; S385-S466 WeakPolarHBondContact CB-O 3.44Å; R386-S466 PolarHBondContact N-O 2.81Å; R386-S466 PolarHBondContact O-N 3.24Å; S466-N481 WeakPolarHBondContact CA-O 3.26Å
467	F	94.1	Very high	92.3	Very high	1 Å²	1	30.1 Å²	30.1	0%	0.004	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	139.2	179.4	-58.1	-85.1	0	0	0	109.1	P295 I352 F384 V465 N481	P295-F467 HydrophobicContact CB-CD2 3.87Å; P295-F467 HydrophobicContact CB-CE2 3.37Å; P295-F467 HydrophobicContact CB-CZ 4.12Å; P295-F467 HydrophobicContact CG-CD2 3.9Å; P295-F467 HydrophobicContact CG-CE2 3.77Å; I352-F467 HydrophobicContact CD1-CD1 3.98Å; I352-F467 HydrophobicContact CD1-CE1 3.44Å; I352-F467 VanDerWaalsContact CD1-CE1 3.44Å; I352-F467 HydrophobicContact CD1-CZ 3.93Å; I352-F467 HydrophobicContact CG1-CD1 3.54Å; I352-F467 HydrophobicContact CG1-CD2 4.45Å; I352-F467 HydrophobicContact CG1-CE1 3.46Å; I352-F467 VanDerWaalsContact CG1-CE1 3.46Å; I352-F467 HydrophobicContact CG1-CE2 4.39Å; I352-F467 HydrophobicContact CG1-CG 4.06Å; I352-F467 HydrophobicContact CG1-CZ 3.91Å; F384-F467 HydrophobicContact CD1-CD1 4.33Å; F384-F467 AromaticContact CE1-CD1 3.8Å; F384-F467 HydrophobicContact CE1-CD1 3.8Å; F384-F467 HydrophobicContact CE1-CE1 4.34Å; F384-F467 HydrophobicContact CZ-CD1 4.08Å; F384-F467 CarbonylContact O-C 3.52Å; F384-F467 WeakPolarHBondContact O-CA 3.44Å; V465-F467 HydrophobicContact CG1-CE2 4.26Å; V465-F467 HydrophobicContact CG2-CD2 4.44Å; V465-F467 HydrophobicContact CG2-CE1 4.23Å; V465-F467 HydrophobicContact CG2-CE2 3.58Å; V465-F467 HydrophobicContact CG2-CZ 3.46Å; V465-F467 VanDerWaalsContact CG2-CZ 3.46Å; F467-N481 WeakPolarHBondContact CD2-O 3.3Å; F467-N481 PolarHBondContact N-O 3.21Å; F467-N481 PolarHBondContact O-ND2 3.16Å
468	N	91.3	Very high	92.7	Very high	2 Å²	2	28.7 Å²	28.7	1%	0.011	16%	0.162	C	C	.	.	S	Bend	trans	51.7	52.6	-168.7	-171.9	25.5	0	0	0	111.9	F360 F384 D470 F471 L472 V473 E475	F360-N468 HydrophobicContact CE2-CB 4.27Å; F360-N468 HydrophobicContact CZ-CB 4.25Å; F384-N468 PolarHBondContact O-N 2.98Å; N468-D470 PolarHBondContact O-N 3.43Å; N468-D470 VanDerWaalsContact O-N 3.12Å; N468-F471 PolarHBondContact O-N 3.23Å; N468-F471 VanDerWaalsContact O-N 3.09Å; N468-L472 PolarHBondContact OD1-N 3.32Å; N468-L472 VanDerWaalsContact OD1-N 3.1Å; N468-V473 PolarHBondContact ND2-O 3.14Å; N468-V473 PolarHBondContact OD1-N 3.45Å; N468-E475 PolarHBondContact ND2-OE1 3.19Å
469	P	88.6	Confident	92.9	Very high	18 Å²	18	29 Å²	29	12%	0.117	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-24	-167.9	25.2	-35.5	0	0	0	115	V383 F384 R386	V383-P469 HydrophobicContact CG1-CG 3.86Å; F384-P469 WeakPolarHBondContact O-CD 3.28Å; R386-P469 HydrophobicContact CB-CB 4.46Å; R386-P469 HydrophobicContact CB-CG 4.35Å
470	D	84.6	Confident	93.1	Very high	82 Å²	82	28.6 Å²	28.6	44%	0.439	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	11.5	-177.3	-60.9	-45.1	0	0	0	112.5	N468 L472	N468-D470 PolarHBondContact O-N 3.43Å; N468-D470 VanDerWaalsContact O-N 3.12Å; D470-L472 HydrophobicContact CB-CD1 4.37Å; D470-L472 HydrophobicContact CB-CD2 4.24Å; D470-L472 HydrophobicContact CB-CG 3.9Å; D470-L472 PolarHBondContact O-N 2.9Å; D470-L472 VanDerWaalsContact O-N 3.1Å
471	F	89	Confident	93	Very high	19 Å²	19	23.5 Å²	23.5	8%	0.083	13%	0.125	C	C	.	.			trans	52.6	33.3	179.2	-50.8	-83.2	0	0	0	113.3	H214 A215 A216 N468 F478 L504	H214-F471 HydrophobicContact CB-CB 3.81Å; A215-F471 HydrophobicContact CB-CB 4.36Å; A215-F471 WeakPolarHBondContact CB-O 3.38Å; A215-F471 PolarHBondContact N-O 2.9Å; A216-F471 HydrophobicContact CB-CD1 4.19Å; A216-F471 HydrophobicContact CB-CE1 4.31Å; N468-F471 PolarHBondContact O-N 3.23Å; N468-F471 VanDerWaalsContact O-N 3.09Å; F471-F478 HydrophobicContact CB-CZ 4.44Å; F471-F478 HydrophobicContact CD1-CB 4.48Å; F471-F478 AromaticContact CD1-CD1 3.58Å; F471-F478 HydrophobicContact CD1-CD1 3.58Å; F471-F478 HydrophobicContact CD1-CD2 4.07Å; F471-F478 AromaticContact CD1-CE1 3.68Å; F471-F478 HydrophobicContact CD1-CE1 3.68Å; F471-F478 HydrophobicContact CD1-CE2 4.16Å; F471-F478 AromaticContact CD1-CG 3.79Å; F471-F478 HydrophobicContact CD1-CG 3.79Å; F471-F478 AromaticContact CD1-CZ 3.98Å; F471-F478 HydrophobicContact CD1-CZ 3.98Å; F471-F478 HydrophobicContact CE1-CB 4.07Å; F471-F478 AromaticContact CE1-CD1 3.92Å; F471-F478 HydrophobicContact CE1-CD1 3.92Å; F471-F478 HydrophobicContact CE1-CD2 4.4Å; F471-F478 HydrophobicContact CE1-CE1 4.46Å; F471-F478 AromaticContact CE1-CG 3.88Å; F471-F478 HydrophobicContact CE1-CG 3.88Å; F471-L504 HydrophobicContact CD1-CD2 4.45Å; F471-L504 HydrophobicContact CE1-CB 4.17Å; F471-L504 HydrophobicContact CE1-CD2 3.86Å; F471-L504 HydrophobicContact CE2-CB 4.47Å; F471-L504 HydrophobicContact CE2-CD2 4.4Å; F471-L504 HydrophobicContact CZ-CB 3.64Å; F471-L504 HydrophobicContact CZ-CD2 3.85Å; F471-L504 HydrophobicContact CZ-CG 4.39Å
472	L	85.2	Confident	93	Very high	88 Å²	88	21.7 Å²	21.7	46%	0.461	12%	0.118	S	C	.	.			trans	-70.1	-50.4	-175.1	-64.6	178.9	0	0	0	110.1	L363 N468 D470	L363-L472 HydrophobicContact CD1-CB 4.35Å; L363-L472 WeakPolarHBondContact CD1-O 3.44Å; N468-L472 PolarHBondContact OD1-N 3.32Å; N468-L472 VanDerWaalsContact OD1-N 3.1Å; D470-L472 HydrophobicContact CB-CD1 4.37Å; D470-L472 HydrophobicContact CB-CD2 4.24Å; D470-L472 HydrophobicContact CB-CG 3.9Å; D470-L472 PolarHBondContact O-N 2.9Å; D470-L472 VanDerWaalsContact O-N 3.1Å
473	V	91.2	Very high	93	Very high	5 Å²	5	20 Å²	20	3%	0.03	11%	0.108	C	C	.	.	S	Bend	trans	-84.9	129.9	177.3	-176	0	0	0	0	108.6	P291 F360 R361 L363 M381 N468	P291-V473 HydrophobicContact CG-CG1 4.45Å; F360-V473 HydrophobicContact CD2-CB 4.15Å; F360-V473 HydrophobicContact CD2-CG1 3.66Å; F360-V473 HydrophobicContact CE1-CG2 4.16Å; F360-V473 HydrophobicContact CE2-CB 3.46Å; F360-V473 VanDerWaalsContact CE2-CB 3.46Å; F360-V473 HydrophobicContact CE2-CG1 3.52Å; F360-V473 HydrophobicContact CE2-CG2 3.94Å; F360-V473 HydrophobicContact CG-CG1 4.28Å; F360-V473 HydrophobicContact CZ-CB 3.7Å; F360-V473 HydrophobicContact CZ-CG1 4.03Å; F360-V473 HydrophobicContact CZ-CG2 3.61Å; R361-V473 VanDerWaalsContact O-CG2 3.31Å; R361-V473 WeakPolarHBondContact O-CG2 3.43Å; L363-V473 HydrophobicContact CG-CG2 4.33Å; M381-V473 HydrophobicContact CE-CG2 4.18Å; N468-V473 PolarHBondContact ND2-O 3.14Å; N468-V473 PolarHBondContact OD1-N 3.45Å
474	P	93.5	Very high	93	Very high	19 Å²	19	20.5 Å²	20.5	12%	0.123	11%	0.11	C	C	.	.			trans	-73.4	134.6	179.1	30.6	-35.4	0	0	0	111.4	A215 G231 L290 P291	A215-P474 HydrophobicContact CB-CB 4.03Å; G231-P474 VanDerWaalsContact O-CB 3.3Å; G231-P474 WeakPolarHBondContact O-CB 3.42Å; L290-P474 HydrophobicContact CD2-CB 3.9Å; L290-P474 HydrophobicContact CD2-CG 4.11Å; P291-P474 VanDerWaalsContact CD-O 3.25Å; P291-P474 WeakPolarHBondContact CD-O 3.44Å; P291-P474 WeakPolarHBondContact CG-O 3.48Å
475	E	95.6	Very high	93.1	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	11%	0.111	C	C	.	.			trans	-125.1	161	177.5	-67.3	178.3	-117	0	0	109.6	I219 P291 L293 F360 N468 N477 F478 N481	I219-E475 WeakPolarHBondContact CD1-O 3.34Å; P291-E475 HydrophobicContact CG-CG 4.06Å; P291-E475 CarbonylContact O-C 3.52Å; P291-E475 VanDerWaalsContact O-CA 3.23Å; P291-E475 WeakPolarHBondContact O-CA 3.39Å; P291-E475 WeakPolarHBondContact O-CB 3.37Å; L293-E475 VanDerWaalsContact CB-OE2 3.24Å; L293-E475 WeakPolarHBondContact CB-OE2 3.35Å; L293-E475 WeakPolarHBondContact CG-OE2 3.4Å; L293-E475 PolarHBondContact N-OE2 2.96Å; F360-E475 HydrophobicContact CD2-CG 4.42Å; F360-E475 HydrophobicContact CE2-CG 4.45Å; N468-E475 PolarHBondContact ND2-OE1 3.19Å; E475-N477 PolarHBondContact O-N 3.26Å; E475-F478 HydrophobicContact CB-CD1 4.4Å; E475-F478 HydrophobicContact CB-CE1 3.84Å; E475-F478 HydrophobicContact CB-CE2 4.3Å; E475-F478 HydrophobicContact CB-CZ 3.78Å; E475-F478 HydrophobicContact CG-CE1 4.04Å; E475-F478 HydrophobicContact CG-CZ 4.26Å; E475-F478 WeakPolarHBondContact OE1-CE1 3.25Å; E475-N481 PolarHBondContact OE1-ND2 3.38Å; E475-N481 PolarHBondContact OE2-ND2 2.87Å; E475-N481 VanDerWaalsContact OE2-ND2 3.12Å; E475-N481 PolarHBondContact OE2-OD1 3.44Å
476	S	94.4	Very high	93.2	Very high	36 Å²	36	25 Å²	25	25%	0.252	13%	0.132	S	C	.	.	S	Bend	trans	-75.7	-16.5	177.4	65.3	0	0	0	0	113.4	P291	P291-S476 PolarHBondContact O-N 3.26Å
477	N	92.7	Very high	93.4	Very high	51 Å²	51	24.7 Å²	24.7	27%	0.273	13%	0.13	S	C	.	.			trans	-157.9	143.4	-174.4	177.9	21.8	0	0	0	108.7	E475 F479 N480 N481	E475-N477 PolarHBondContact O-N 3.26Å; N477-F479 WeakPolarHBondContact OD1-CB 3.41Å; N477-F479 WeakPolarHBondContact OD1-CD2 3.09Å; N477-F479 PolarHBondContact OD1-N 3.22Å; N477-N480 PolarHBondContact ND2-OD1 2.89Å; N477-N481 PolarHBondContact O-OD1 3.05Å
478	F	93.6	Very high	93.5	Very high	1 Å²	1	26.2 Å²	26.2	0%	0.004	14%	0.139	C	C	.	.			trans	-122	2.8	175.5	-72.5	-72.1	0	0	0	113.5	A215 A216 I219 F471 E475 N480 N481	A215-F478 HydrophobicContact CB-CE2 3.76Å; A215-F478 HydrophobicContact CB-CZ 3.63Å; A216-F478 HydrophobicContact CB-CD2 4.22Å; A216-F478 HydrophobicContact CB-CE2 4.47Å; I219-F478 HydrophobicContact CD1-CD2 3.58Å; I219-F478 HydrophobicContact CD1-CE2 3.66Å; F471-F478 HydrophobicContact CB-CZ 4.44Å; F471-F478 HydrophobicContact CD1-CB 4.48Å; F471-F478 AromaticContact CD1-CD1 3.58Å; F471-F478 HydrophobicContact CD1-CD1 3.58Å; F471-F478 HydrophobicContact CD1-CD2 4.07Å; F471-F478 AromaticContact CD1-CE1 3.68Å; F471-F478 HydrophobicContact CD1-CE1 3.68Å; F471-F478 HydrophobicContact CD1-CE2 4.16Å; F471-F478 AromaticContact CD1-CG 3.79Å; F471-F478 HydrophobicContact CD1-CG 3.79Å; F471-F478 AromaticContact CD1-CZ 3.98Å; F471-F478 HydrophobicContact CD1-CZ 3.98Å; F471-F478 HydrophobicContact CE1-CB 4.07Å; F471-F478 AromaticContact CE1-CD1 3.92Å; F471-F478 HydrophobicContact CE1-CD1 3.92Å; F471-F478 HydrophobicContact CE1-CD2 4.4Å; F471-F478 HydrophobicContact CE1-CE1 4.46Å; F471-F478 AromaticContact CE1-CG 3.88Å; F471-F478 HydrophobicContact CE1-CG 3.88Å; E475-F478 HydrophobicContact CB-CD1 4.4Å; E475-F478 HydrophobicContact CB-CE1 3.84Å; E475-F478 HydrophobicContact CB-CE2 4.3Å; E475-F478 HydrophobicContact CB-CZ 3.78Å; E475-F478 HydrophobicContact CG-CE1 4.04Å; E475-F478 HydrophobicContact CG-CZ 4.26Å; E475-F478 WeakPolarHBondContact OE1-CE1 3.25Å; F478-N480 PolarHBondContact O-N 2.98Å; F478-N481 WeakPolarHBondContact CA-OD1 3.32Å
479	F	94.7	Very high	93.7	Very high	73 Å²	73	26.5 Å²	26.5	32%	0.32	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-12.8	-179.5	-78.4	-90.5	0	0	0	114.1	Y256 N258 N477 H503	Y256-F479 HydrophobicContact CD1-CE1 4.37Å; Y256-F479 HydrophobicContact CD1-CZ 4.36Å; Y256-F479 HydrophobicContact CG-CZ 4.5Å; Y256-F479 VanDerWaalsContact O-CE2 3.28Å; Y256-F479 WeakPolarHBondContact O-CE2 2.89Å; N258-F479 HydrophobicContact CB-CE2 3.78Å; N258-F479 HydrophobicContact CB-CZ 4Å; N258-F479 VanDerWaalsContact CG-CZ 3.49Å; N258-F479 WeakPolarHBondContact ND2-CZ 3.47Å; N477-F479 WeakPolarHBondContact OD1-CB 3.41Å; N477-F479 WeakPolarHBondContact OD1-CD2 3.09Å; N477-F479 PolarHBondContact OD1-N 3.22Å; F479-H503 HydrophobicContact CD1-CB 4.18Å; F479-H503 HydrophobicContact CE1-CB 4.39Å
480	N	94.8	Very high	93.8	Very high	16 Å²	16	29.4 Å²	29.4	9%	0.086	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114	0.5	-177.7	52.9	-33.2	0	0	0	113.2	D292 L293 P295 N477 F478 A482 F501	D292-N480 PolarHBondContact OD1-ND2 3.37Å; D292-N480 PolarHBondContact OD1-OD1 3.13Å; L293-N480 PolarHBondContact O-ND2 2.77Å; P295-N480 WeakPolarHBondContact CD-O 3.35Å; N477-N480 PolarHBondContact ND2-OD1 2.89Å; F478-N480 PolarHBondContact O-N 2.98Å; N480-A482 PolarHBondContact O-N 3.46Å; N480-F501 HydrophobicContact CB-CD1 3.93Å; N480-F501 HydrophobicContact CB-CE1 4.08Å; N480-F501 HydrophobicContact CB-CG 4.36Å; N480-F501 WeakPolarHBondContact O-CD1 3.48Å
481	N	94	Very high	93.8	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	-75.3	-7	-177.7	-77.7	58.6	0	0	0	114.6	S466 F467 E475 N477 F478 L504	S466-N481 WeakPolarHBondContact CA-O 3.26Å; F467-N481 WeakPolarHBondContact CD2-O 3.3Å; F467-N481 PolarHBondContact N-O 3.21Å; F467-N481 PolarHBondContact O-ND2 3.16Å; E475-N481 PolarHBondContact OE1-ND2 3.38Å; E475-N481 PolarHBondContact OE2-ND2 2.87Å; E475-N481 VanDerWaalsContact OE2-ND2 3.12Å; E475-N481 PolarHBondContact OE2-OD1 3.44Å; N477-N481 PolarHBondContact O-OD1 3.05Å; F478-N481 WeakPolarHBondContact CA-OD1 3.32Å; N481-L504 HydrophobicContact CB-CD1 3.49Å; N481-L504 VanDerWaalsContact CB-CD1 3.49Å
482	A	96.1	Very high	93.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	152	176.8	0	0	0	0	0	112.9	V465 N480 F501 I502 L504 L507	V465-A482 CarbonylContact O-C 3.6Å; V465-A482 WeakPolarHBondContact O-CA 3.31Å; V465-A482 VanDerWaalsContact O-CB 3.29Å; V465-A482 WeakPolarHBondContact O-CB 3.43Å; N480-A482 PolarHBondContact O-N 3.46Å; A482-F501 WeakPolarHBondContact O-CA 3.22Å; A482-I502 HydrophobicContact CB-CG2 3.96Å; A482-I502 WeakPolarHBondContact CB-O 3.5Å; A482-I502 PolarHBondContact O-N 3.01Å; A482-L504 HydrophobicContact CB-CD1 3.62Å; A482-L504 HydrophobicContact CB-CG 4.41Å; A482-L507 HydrophobicContact CB-CD1 3.97Å; A482-L507 HydrophobicContact CB-CD2 4.35Å; A482-L507 HydrophobicContact CB-CG 4.5Å
483	L	97.4	Very high	94.2	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	139.1	172.6	-68.8	167.8	0	0	0	109.6	P295 R297 L300 Q464 V465 R500 F501	P295-L483 HydrophobicContact CB-CD1 3.94Å; P295-L483 HydrophobicContact CG-CD1 3.81Å; P295-L483 HydrophobicContact CG-CG 3.88Å; R297-L483 HydrophobicContact CB-CD1 4.36Å; R297-L483 HydrophobicContact CB-CD2 4.22Å; R297-L483 HydrophobicContact CG-CD2 4.45Å; L300-L483 HydrophobicContact CD2-CB 4.06Å; L300-L483 HydrophobicContact CD2-CD1 3.71Å; Q464-L483 WeakPolarHBondContact CA-O 3.48Å; V465-L483 HydrophobicContact CG1-CB 3.87Å; V465-L483 HydrophobicContact CG1-CD1 4.48Å; V465-L483 PolarHBondContact N-O 3.18Å; V465-L483 PolarHBondContact O-N 2.95Å; L483-R500 WeakPolarHBondContact CA-O 3.26Å; L483-F501 HydrophobicContact CD2-CD1 3.57Å; L483-F501 HydrophobicContact CD2-CE1 3.76Å; L483-F501 HydrophobicContact CD2-CG 4.14Å; L483-F501 HydrophobicContact CD2-CZ 4.45Å; L483-F501 HydrophobicContact CG-CD1 4.32Å; L483-F501 HydrophobicContact CG-CE1 4.4Å
484	T	97	Very high	94.3	Very high	10 Å²	10	32 Å²	32	6%	0.061	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	131.5	167.1	-176.7	0	0	0	0	109.5	T462 F463 C499 R500 I502	T462-T484 WeakPolarHBondContact CG2-OG1 3.47Å; F463-T484 WeakPolarHBondContact O-CA 3.5Å; T484-C499 CarbonylContact O-C 3.57Å; T484-C499 VanDerWaalsContact O-CA 3.29Å; T484-C499 WeakPolarHBondContact O-CA 3.38Å; T484-R500 HydrophobicContact CG2-CG 3.66Å; T484-R500 PolarHBondContact N-O 3.04Å; T484-R500 PolarHBondContact O-N 3.14Å; T484-I502 HydrophobicContact CG2-CB 4.04Å; T484-I502 HydrophobicContact CG2-CD1 4.01Å; T484-I502 HydrophobicContact CG2-CG2 3.99Å
485	C	98.1	Very high	94.5	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.014	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	148.5	-178	-53.5	0	0	0	0	110.2	T462 F463 L496 C499	T462-C485 CarbonylContact C-O 3.56Å; T462-C485 WeakPolarHBondContact CA-O 3.46Å; F463-C485 PolarHBondContact N-O 3.4Å; F463-C485 PolarHBondContact O-N 3.25Å; C485-L496 HydrophobicContact CB-CB 4.24Å; C485-L496 HydrophobicContact CB-CD2 4.22Å; C485-C499 HydrophobicContact CB-CB 4.11Å; C485-C499 WeakPolarHBondContact CB-SG 3.39Å; C485-C499 VanDerWaalsContact SG-CA 3.59Å; C485-C499 WeakPolarHBondContact SG-CB 3.36Å; C485-C499 CovalentContact SG-SG 2.03Å; C485-C499 PolarHBondContact SG-SG 3.23Å
486	Q	97.7	Very high	94.6	Very high	94 Å²	94	33.6 Å²	33.6	44%	0.439	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	131.3	161.7	-69.3	173.6	-2.3	0	0	108.6	L496 R497	Q486-L496 CarbonylContact O-C 3.57Å; Q486-L496 VanDerWaalsContact O-CA 3.32Å; Q486-L496 WeakPolarHBondContact O-CA 3.45Å; Q486-R497 PolarHBondContact N-O 2.99Å; Q486-R497 PolarHBondContact O-N 3.01Å
487	M	97.7	Very high	94.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	118	179.2	176	-177.5	127.3	0	0	109.3	M346 V389 Y461 F463 H489 V495 L496	M346-M487 HydrophobicContact CE-SD 4.14Å; M346-M487 HydrophobicContact SD-CG 4.33Å; M346-M487 HydrophobicContact SD-SD 3.75Å; V389-M487 HydrophobicContact CG1-CE 3.71Å; V389-M487 HydrophobicContact CG1-SD 3.98Å; V389-M487 HydrophobicContact CG2-CE 4.43Å; V389-M487 HydrophobicContact CG2-SD 4.19Å; Y461-M487 HydrophobicContact CD2-CE 3.91Å; Y461-M487 HydrophobicContact CG-CE 4.07Å; Y461-M487 PolarHBondContact N-O 3.33Å; Y461-M487 PolarHBondContact O-N 3.5Å; F463-M487 HydrophobicContact CB-CB 3.94Å; F463-M487 HydrophobicContact CB-CG 4.5Å; F463-M487 HydrophobicContact CB-SD 4.09Å; M487-H489 HydrophobicContact CE-CB 4.05Å; M487-V495 WeakPolarHBondContact CA-O 3.47Å; M487-L496 HydrophobicContact CB-CD2 3.76Å; M487-L496 HydrophobicContact CG-CD2 3.98Å
488	T	97.3	Very high	95	Very high	33 Å²	33	43 Å²	43	20%	0.202	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	111.3	170.1	-61.3	0	0	0	0	109.1	Q460 L490 A494 V495	Q460-T488 PolarHBondContact NE2-OG1 3.28Å; Q460-T488 VanDerWaalsContact NE2-OG1 3.16Å; Q460-T488 PolarHBondContact OE1-OG1 3.31Å; T488-L490 HydrophobicContact CG2-CD2 3.73Å; T488-L490 HydrophobicContact CG2-CG 4.06Å; T488-A494 WeakPolarHBondContact O-CA 3.27Å; T488-V495 PolarHBondContact N-O 3.35Å; T488-V495 PolarHBondContact O-N 2.9Å
489	H	94.8	Very high	95.2	Very high	7 Å²	7	43.3 Å²	43.3	3%	0.032	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	118.7	175.2	178.7	29.7	0	0	0	110.4	I306 A457 P458 G459 Y461 M487 G491 T493	I306-H489 WeakPolarHBondContact CD1-CE1 3.32Å; I306-H489 WeakPolarHBondContact CD1-ND1 3.3Å; A457-H489 PolarHBondContact O-CD2 3.15Å; P458-H489 CarbonylContact C-O 3.59Å; P458-H489 VanDerWaalsContact CA-O 3.25Å; P458-H489 WeakPolarHBondContact CA-O 3.36Å; P458-H489 WeakPolarHBondContact CB-O 3.49Å; G459-H489 PolarHBondContact N-O 2.92Å; G459-H489 PolarHBondContact O-N 3.4Å; Y461-H489 HydrophobicContact CD2-CB 4.35Å; Y461-H489 HydrophobicContact CE2-CB 4.43Å; M487-H489 HydrophobicContact CE-CB 4.05Å; H489-G491 WeakPolarHBondContact CE1-CA 3.29Å; H489-G491 PolarHBondContact CE1-N 3.41Å; H489-G491 PolarHBondContact ND1-N 2.82Å; H489-G491 VanDerWaalsContact ND1-N 3.18Å; H489-T493 PolarHBondContact ND1-O 2.95Å
490	L	90.9	Very high	95.3	Very high	80 Å²	80	46.5 Å²	46.5	42%	0.419	22%	0.218	S	C	.	.			trans	-106.4	12.7	-178.9	-59.2	179.2	0	0	0	113.3	T488 Y492 T493	T488-L490 HydrophobicContact CG2-CD2 3.73Å; T488-L490 HydrophobicContact CG2-CG 4.06Å; L490-Y492 HydrophobicContact CB-CD1 4.37Å; L490-Y492 HydrophobicContact CB-CE1 3.93Å; L490-Y492 WeakPolarHBondContact O-CD1 3.27Å; L490-Y492 WeakPolarHBondContact O-CE1 3.41Å; L490-Y492 PolarHBondContact O-N 3.19Å; L490-T493 HydrophobicContact CB-CG2 4.02Å; L490-T493 HydrophobicContact CD1-CG2 3.82Å; L490-T493 HydrophobicContact CG-CG2 4.25Å; L490-T493 PolarHBondContact N-O 3.46Å
491	G	84.6	Confident	95.4	Very high	26 Å²	26	49.2 Å²	49.2	27%	0.268	23%	0.229	S	C	.	.	S	Bend	trans	81.9	-45.3	-175.2	0	0	0	0	0	114.2	H489	H489-G491 WeakPolarHBondContact CE1-CA 3.29Å; H489-G491 PolarHBondContact CE1-N 3.41Å; H489-G491 PolarHBondContact ND1-N 2.82Å; H489-G491 VanDerWaalsContact ND1-N 3.18Å
492	Y	88	Confident	95.4	Very high	183 Å²	183	49.9 Å²	49.9	72%	0.718	23%	0.233	S	C	*	.	S	Bend	trans	-103.8	-13.3	178.8	62	-90.1	0	0	0	113.7	L490	L490-Y492 HydrophobicContact CB-CD1 4.37Å; L490-Y492 HydrophobicContact CB-CE1 3.93Å; L490-Y492 WeakPolarHBondContact O-CD1 3.27Å; L490-Y492 WeakPolarHBondContact O-CE1 3.41Å; L490-Y492 PolarHBondContact O-N 3.19Å
493	T	93.6	Very high	95.3	Very high	39 Å²	39	50 Å²	50	24%	0.239	23%	0.233	C	C	.	.			trans	-146.8	159.4	173.2	-170.7	0	0	0	0	110.1	I306 H489 L490 V495	I306-T493 WeakPolarHBondContact CD1-O 3.09Å; H489-T493 PolarHBondContact ND1-O 2.95Å; L490-T493 HydrophobicContact CB-CG2 4.02Å; L490-T493 HydrophobicContact CD1-CG2 3.82Å; L490-T493 HydrophobicContact CG-CG2 4.25Å; L490-T493 PolarHBondContact N-O 3.46Å; T493-V495 HydrophobicContact CG2-CG2 4.44Å
494	A	94.8	Very high	94.8	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	127.9	170.6	0	0	0	0	0	107.2	I306 M346 T488	I306-A494 HydrophobicContact CD1-CB 3.96Å; I306-A494 HydrophobicContact CG1-CB 3.79Å; M346-A494 HydrophobicContact CG-CB 3.88Å; M346-A494 HydrophobicContact SD-CB 3.67Å; T488-A494 WeakPolarHBondContact O-CA 3.27Å
495	V	97	Very high	94.3	Very high	51 Å²	51	51.1 Å²	51.1	31%	0.309	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	127.1	-177.8	-176.5	0	0	0	0	108.5	M487 T488 T493 R497	M487-V495 WeakPolarHBondContact CA-O 3.47Å; T488-V495 PolarHBondContact N-O 3.35Å; T488-V495 PolarHBondContact O-N 2.9Å; T493-V495 HydrophobicContact CG2-CG2 4.44Å; V495-R497 HydrophobicContact CG1-CG 4.04Å
496	L	98.3	Very high	93.7	Very high	3 Å²	3	54.3 Å²	54.3	2%	0.016	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	138.7	170.3	-60.3	-175.1	0	0	0	109.5	L300 E301 A304 M346 F463 C485 Q486 M487	L300-L496 HydrophobicContact CD1-CD1 4.27Å; L300-L496 HydrophobicContact CG-CD1 4.07Å; E301-L496 VanDerWaalsContact CG-O 3.3Å; E301-L496 WeakPolarHBondContact CG-O 3.48Å; A304-L496 HydrophobicContact CB-CB 4.41Å; A304-L496 HydrophobicContact CB-CD1 3.88Å; A304-L496 HydrophobicContact CB-CG 3.75Å; M346-L496 HydrophobicContact CE-CD2 4.46Å; M346-L496 HydrophobicContact SD-CD2 4.44Å; F463-L496 HydrophobicContact CB-CD2 3.62Å; F463-L496 HydrophobicContact CD1-CD1 3.65Å; F463-L496 HydrophobicContact CD1-CD2 3.99Å; F463-L496 HydrophobicContact CE1-CD1 4.11Å; F463-L496 HydrophobicContact CG-CD1 4.45Å; F463-L496 HydrophobicContact CG-CD2 4Å; C485-L496 HydrophobicContact CB-CB 4.24Å; C485-L496 HydrophobicContact CB-CD2 4.22Å; Q486-L496 CarbonylContact O-C 3.57Å; Q486-L496 VanDerWaalsContact O-CA 3.32Å; Q486-L496 WeakPolarHBondContact O-CA 3.45Å; M487-L496 HydrophobicContact CB-CD2 3.76Å; M487-L496 HydrophobicContact CG-CD2 3.98Å
497	R	97.7	Very high	92.9	Very high	153 Å²	153	50.8 Å²	50.8	58%	0.577	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-143.4	157.5	176.9	-66.4	-171.5	175.2	-174.8	-1.6	111.2	E301 Q486 V495 C499	E301-R497 WeakPolarHBondContact OE1-CA 3.48Å; Q486-R497 PolarHBondContact N-O 2.99Å; Q486-R497 PolarHBondContact O-N 3.01Å; V495-R497 HydrophobicContact CG1-CG 4.04Å; R497-C499 PolarHBondContact O-N 3.36Å
498	Q	96.9	Very high	91.3	Very high	131 Å²	131	55 Å²	55	61%	0.612	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	55	38.5	172.2	-56.5	-171.7	-11.4	0	0	112	E301 R500	E301-Q498 PolarHBondContact OE1-N 2.87Å; Q498-R500 PolarHBondContact O-N 3.21Å
499	C	97.8	Very high	91	Very high	8 Å²	8	56.1 Å²	56.1	5%	0.054	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	135.9	177.4	-67.6	0	0	0	0	109.6	R297 E301 T484 C485 R497	R297-C499 WeakPolarHBondContact CD-O 3.37Å; R297-C499 HydrophobicContact CG-CB 3.65Å; E301-C499 WeakPolarHBondContact OE2-CB 3.34Å; E301-C499 PolarHBondContact OE2-N 3.36Å; T484-C499 CarbonylContact O-C 3.57Å; T484-C499 VanDerWaalsContact O-CA 3.29Å; T484-C499 WeakPolarHBondContact O-CA 3.38Å; C485-C499 HydrophobicContact CB-CB 4.11Å; C485-C499 WeakPolarHBondContact CB-SG 3.39Å; C485-C499 VanDerWaalsContact SG-CA 3.59Å; C485-C499 WeakPolarHBondContact SG-CB 3.36Å; C485-C499 CovalentContact SG-SG 2.03Å; C485-C499 PolarHBondContact SG-SG 3.23Å; R497-C499 PolarHBondContact O-N 3.36Å
500	R	97	Very high	90.8	Very high	139 Å²	139	58.7 Å²	58.7	53%	0.525	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	152.6	178.6	65.1	-179.7	-178.1	85.1	-0.5	111.4	L483 T484 Q498	L483-R500 WeakPolarHBondContact CA-O 3.26Å; T484-R500 HydrophobicContact CG2-CG 3.66Å; T484-R500 PolarHBondContact N-O 3.04Å; T484-R500 PolarHBondContact O-N 3.14Å; Q498-R500 PolarHBondContact O-N 3.21Å
501	F	96.9	Very high	90.8	Very high	74 Å²	74	57.5 Å²	57.5	33%	0.325	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	143.1	172.2	-64.7	-64.9	0	0	0	110.7	P295 N480 A482 L483	P295-F501 HydrophobicContact CG-CE1 4.06Å; N480-F501 HydrophobicContact CB-CD1 3.93Å; N480-F501 HydrophobicContact CB-CE1 4.08Å; N480-F501 HydrophobicContact CB-CG 4.36Å; N480-F501 WeakPolarHBondContact O-CD1 3.48Å; A482-F501 WeakPolarHBondContact O-CA 3.22Å; L483-F501 HydrophobicContact CD2-CD1 3.57Å; L483-F501 HydrophobicContact CD2-CE1 3.76Å; L483-F501 HydrophobicContact CD2-CG 4.14Å; L483-F501 HydrophobicContact CD2-CZ 4.45Å; L483-F501 HydrophobicContact CG-CD1 4.32Å; L483-F501 HydrophobicContact CG-CE1 4.4Å
502	I	94.7	Very high	91.2	Very high	14 Å²	14	59.4 Å²	59.4	7%	0.072	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	145.3	177.2	-171.8	162.3	0	0	0	108.2	A482 T484 D506 L507	A482-I502 HydrophobicContact CB-CG2 3.96Å; A482-I502 WeakPolarHBondContact CB-O 3.5Å; A482-I502 PolarHBondContact O-N 3.01Å; T484-I502 HydrophobicContact CG2-CB 4.04Å; T484-I502 HydrophobicContact CG2-CD1 4.01Å; T484-I502 HydrophobicContact CG2-CG2 3.99Å; I502-D506 HydrophobicContact CD1-CB 3.95Å; I502-D506 HydrophobicContact CG1-CB 3.75Å; I502-L507 HydrophobicContact CG2-CD2 3.52Å; I502-L507 HydrophobicContact CG2-CG 4.4Å
503	H	92.3	Very high	91.4	Very high	3 Å²	3	51.6 Å²	51.6	1%	0.014	24%	0.236	C	C	.	.			trans	-72.1	145	173.8	-168.7	-86.9	0	0	0	109.9	Y256 F479 N505 D506 L507	Y256-H503 HydrophobicContact CD1-CB 3.99Å; Y256-H503 AromaticContact CD1-CD2 3.95Å; Y256-H503 AromaticContact CD1-CE1 3.89Å; Y256-H503 AromaticContact CD1-CG 3.51Å; Y256-H503 AromaticContact CD1-ND1 3.45Å; Y256-H503 WeakPolarHBondContact CD1-ND1 3.44Å; Y256-H503 HydrophobicContact CE1-CB 4.12Å; Y256-H503 AromaticContact CE1-CG 3.99Å; Y256-H503 AromaticContact CE1-ND1 3.79Å; Y256-H503 PolarHBondContact O-NE2 2.93Å; Y256-H503 VanDerWaalsContact O-NE2 3.17Å; F479-H503 HydrophobicContact CD1-CB 4.18Å; F479-H503 HydrophobicContact CE1-CB 4.39Å; H503-N505 VanDerWaalsContact ND1-N 3.14Å; H503-N505 PolarHBondContact O-N 2.52Å; H503-N505 PolarHBondContact ND1-N 2.88Å; H503-N505 WeakPolarHBondContact ND1-CB 3.29Å; H503-N505 VanDerWaalsContact CE1-ND2 3.3Å; H503-N505 PolarHBondContact CE1-ND2 3.47Å; H503-N505 VanDerWaalsContact C-N 3.26Å; H503-D506 WeakPolarHBondContact O-CB 3.29Å; H503-D506 PolarHBondContact O-N 3.36Å; H503-L507 PolarHBondContact O-N 3.17Å
504	L	88.6	Confident	91.2	Very high	14 Å²	14	52.5 Å²	52.5	7%	0.073	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-57.3	-39.1	-177.5	-86.7	61.6	0	0	0	112.5	F471 N481 A482 D506 L507	F471-L504 HydrophobicContact CD1-CD2 4.45Å; F471-L504 HydrophobicContact CE1-CB 4.17Å; F471-L504 HydrophobicContact CE1-CD2 3.86Å; F471-L504 HydrophobicContact CE2-CB 4.47Å; F471-L504 HydrophobicContact CE2-CD2 4.4Å; F471-L504 HydrophobicContact CZ-CB 3.64Å; F471-L504 HydrophobicContact CZ-CD2 3.85Å; F471-L504 HydrophobicContact CZ-CG 4.39Å; N481-L504 HydrophobicContact CB-CD1 3.49Å; N481-L504 VanDerWaalsContact CB-CD1 3.49Å; A482-L504 HydrophobicContact CB-CD1 3.62Å; A482-L504 HydrophobicContact CB-CG 4.41Å; L504-D506 PolarHBondContact O-N 3.2Å; L504-L507 HydrophobicContact CG-CD1 4.36Å; L504-L507 VanDerWaalsContact O-CB 3.28Å; L504-L507 WeakPolarHBondContact O-CB 3.3Å; L504-L507 WeakPolarHBondContact O-CG 2.76Å; L504-L507 PolarHBondContact O-N 2.72Å; L504-L507 VanDerWaalsContact O-N 3.09Å
505	N	84.9	Confident	91	Very high	19 Å²	19	56.2 Å²	56.2	10%	0.102	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-66.8	-13.3	176.3	-61.5	-18.7	0	0	0	114.5	Y254 C255 Y256 H503	Y254-N505 HydrophobicContact CD2-CB 4.33Å; Y254-N505 WeakPolarHBondContact CD2-ND2 3.41Å; C255-N505 PolarHBondContact O-ND2 2.85Å; Y256-N505 HydrophobicContact CE1-CB 4.17Å; H503-N505 VanDerWaalsContact ND1-N 3.14Å; H503-N505 PolarHBondContact O-N 2.52Å; H503-N505 PolarHBondContact ND1-N 2.88Å; H503-N505 WeakPolarHBondContact ND1-CB 3.29Å; H503-N505 VanDerWaalsContact CE1-ND2 3.3Å; H503-N505 PolarHBondContact CE1-ND2 3.47Å; H503-N505 VanDerWaalsContact C-N 3.26Å
506	D	86.3	Confident	90.5	Very high	69 Å²	69	56.6 Å²	56.6	37%	0.369	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-99.7	-1.3	175.3	-62.6	-33.1	0	0	0	112.5	Y256 I502 H503 L504	Y256-D506 WeakPolarHBondContact CE1-OD1 3.08Å; Y256-D506 PolarHBondContact OH-OD1 2.95Å; I502-D506 HydrophobicContact CD1-CB 3.95Å; I502-D506 HydrophobicContact CG1-CB 3.75Å; H503-D506 WeakPolarHBondContact O-CB 3.29Å; H503-D506 PolarHBondContact O-N 3.36Å; L504-D506 PolarHBondContact O-N 3.2Å
507	L	81.1	Confident	89.9	Confident	20 Å²	20	61.1 Å²	61.1	11%	0.105	27%	0.268	C	S	.	.			trans	-65.2	138.8	166.8	-61.9	174.1	0	0	0	108	Q464 A482 I502 H503 L504	Q464-L507 HydrophobicContact CB-CD2 4.01Å; Q464-L507 HydrophobicContact CG-CD2 4.07Å; A482-L507 HydrophobicContact CB-CD1 3.97Å; A482-L507 HydrophobicContact CB-CD2 4.35Å; A482-L507 HydrophobicContact CB-CG 4.5Å; I502-L507 HydrophobicContact CG2-CD2 3.52Å; I502-L507 HydrophobicContact CG2-CG 4.4Å; H503-L507 PolarHBondContact O-N 3.17Å; L504-L507 HydrophobicContact CG-CD1 4.36Å; L504-L507 VanDerWaalsContact O-CB 3.28Å; L504-L507 WeakPolarHBondContact O-CB 3.3Å; L504-L507 WeakPolarHBondContact O-CG 2.76Å; L504-L507 PolarHBondContact O-N 2.72Å; L504-L507 VanDerWaalsContact O-N 3.09Å
508	F	64.1	Low	89.1	Confident	89 Å²	89	52.7 Å²	52.7	39%	0.39	24%	0.24	S	C	.	.			trans	-64.1	0	-172	-67.6	-62	0	0	0	112.1	K152 V390 K394	K152-F508 WeakPolarHBondContact CD-O 3.18Å; K152-F508 WeakPolarHBondContact CD-OXT 3.37Å; K152-F508 WeakPolarHBondContact CE-O 3.06Å; K152-F508 PolarHBondContact NZ-O 3.48Å; V390-F508 HydrophobicContact CG1-CB 4.4Å; V390-F508 HydrophobicContact CG1-CD2 4.49Å; K394-F508 HydrophobicContact CB-CB 4.48Å; K394-F508 HydrophobicContact CB-CD1 4.44Å; K394-F508 HydrophobicContact CB-CG 4.39Å; K394-F508 HydrophobicContact CD-CD1 3.63Å; K394-F508 HydrophobicContact CD-CE1 3.73Å; K394-F508 HydrophobicContact CD-CG 4.28Å; K394-F508 HydrophobicContact CD-CZ 4.42Å; K394-F508 VanDerWaalsContact CE-CE1 3.41Å; K394-F508 HydrophobicContact CG-CD1 4.13Å; K394-F508 HydrophobicContact CG-CE1 4.4Å; K394-F508 HydrophobicContact CG-CG 4.28Å

Retrieved 508 of 508 residues in 873.6 ms (Link to these results)

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