A0A093KDA2_STRCA Loading...

TNF receptor-associated factor

AlphaFold DB , UniProt , Accession A0A093KDA2, Species STRCA (Struthio camelus australis), Gene n/a, Length 545 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	29.5	Very low	26.9	Very low	230 Å²	230	141.4 Å²	141.4	100%	1.133	83%	0.83	S	S	*	*				0	93.2	0	-62.9	-167.9	-78.2	0	0	105.7
2	S	28.7	Very low	26.9	Very low	112 Å²	112	137.6 Å²	137.6	78%	0.783	83%	0.827	S	S	*	*				77.4	120.7	56.1	-53.8	0	0	0	0	110
3	L	28.6	Very low	27	Very low	158 Å²	158	143.3 Å²	143.3	83%	0.827	83%	0.825	S	S	*	*			cis	-139.5	-178.8	-4.9	-88.1	170.6	0	0	0	107.6
4	L	29.7	Very low	26.8	Very low	145 Å²	145	141.6 Å²	141.6	76%	0.759	81%	0.811	S	S	*	*			cis	-140.1	-175.4	21.8	-86	171	0	0	0	111.7
5	H	27.5	Very low	26.9	Very low	169 Å²	169	142.5 Å²	142.5	78%	0.782	81%	0.812	S	S	*	*			trans	-125.9	166.1	152.9	-79	4.6	0	0	0	108.8
6	S	24.7	Very low	26.9	Very low	122 Å²	122	144.8 Å²	144.8	85%	0.853	81%	0.813	S	S	*	*				-171.1	106.7	123.2	-111.2	0	0	0	0	111.2
7	D	25.2	Very low	26.9	Very low	145 Å²	145	143.4 Å²	143.4	78%	0.775	82%	0.815	S	S	*	*			trans	-65.4	160.5	148.2	-62.6	-74.7	0	0	0	109.5
8	N	24.5	Very low	26.7	Very low	166 Å²	166	138.8 Å²	138.8	89%	0.888	80%	0.804	S	S	*	*			trans	-146.6	141.7	131.6	-155.2	12.4	0	0	0	110.5
9	S	28.8	Very low	26.6	Very low	107 Å²	107	138.6 Å²	138.6	75%	0.748	81%	0.81	S	S	*	*			trans	-120	157.3	179.8	63.9	0	0	0	0	110.4
10	C	24.4	Very low	26.5	Very low	139 Å²	139	138.4 Å²	138.4	94%	0.939	82%	0.815	S	S	*	*			trans	-150.3	136.2	156.5	-154.7	0	0	0	0	109.1
11	G	24.2	Very low	26.4	Very low	62 Å²	62	136.8 Å²	136.8	64%	0.639	82%	0.817	S	S	*	*			trans	-163.2	-179.5	179.2	0	0	0	0	0	109.4
12	A	27.5	Very low	26.2	Very low	96 Å²	96	130.3 Å²	130.3	79%	0.793	80%	0.8	S	S	*	*			trans	70.6	145.9	-167.5	0	0	0	0	0	113.3
13	R	28.4	Very low	26	Very low	212 Å²	212	133.8 Å²	133.8	80%	0.8	81%	0.806	S	S	*	*			cis	-164.4	174.4	0	-118.6	179.8	141	167.5	-23	109.9
14	D	24.2	Very low	25.8	Very low	119 Å²	119	130.4 Å²	130.4	64%	0.636	80%	0.801	S	S	*	*			cis	-137.2	-100.7	1.2	-145.7	-8.3	0	0	0	112.7
15	L	28.2	Very low	25.6	Very low	156 Å²	156	129.1 Å²	129.1	82%	0.817	80%	0.804	S	S	*	*			trans	-163.8	-174.6	-168.6	-158.8	61.5	0	0	0	111.2
16	E	26.4	Very low	25.5	Very low	179 Å²	179	125.5 Å²	125.5	84%	0.836	80%	0.804	S	S	*	*			trans	74.5	144.5	175	-49.5	-170.2	166	0	0	114.9
17	S	26	Very low	25.4	Very low	121 Å²	121	126.1 Å²	126.1	85%	0.846	81%	0.806	S	S	*	*			cis	-161.6	169.5	-10.5	-119.8	0	0	0	0	108.5
18	G	24.1	Very low	25.4	Very low	60 Å²	60	124.5 Å²	124.5	62%	0.619	81%	0.807	S	S	*	*			cis	156.6	125.1	-3.3	0	0	0	0	0	111.7
19	C	24.1	Very low	25.4	Very low	135 Å²	135	123.1 Å²	123.1	91%	0.912	80%	0.804	S	S	*	*			trans	65.5	155.3	-178.1	-59.3	0	0	0	0	115.2
20	C	25.4	Very low	25.1	Very low	135 Å²	135	121.8 Å²	121.8	91%	0.912	81%	0.807	S	S	*	*			cis	-128.1	175.8	21.1	-83.5	0	0	0	0	114.5
21	A	25	Very low	25.2	Very low	104 Å²	104	120.3 Å²	120.3	86%	0.86	81%	0.805	S	S	*	*			trans	-108.4	174.5	-165.1	0	0	0	0	0	115.9
22	A	24.2	Very low	25.2	Very low	94 Å²	94	126 Å²	126	78%	0.777	81%	0.812	S	S	*	*			trans	-68.5	172.3	-176.4	0	0	0	0	0	115.8
23	M	25.9	Very low	25.1	Very low	186 Å²	186	129.1 Å²	129.1	92%	0.916	81%	0.81	S	S	*	*			trans	-128.6	151.3	156.9	-80.6	-65	-76.7	0	0	111.4
24	A	24	Very low	24.8	Very low	86 Å²	86	126.1 Å²	126.1	71%	0.711	81%	0.81	S	S	*	*			trans	-67.5	152.6	179.9	0	0	0	0	0	111.8
25	S	25.3	Very low	24.8	Very low	119 Å²	119	125.2 Å²	125.2	83%	0.832	81%	0.813	S	S	*	*			cis	71.2	103.3	40	-163.9	0	0	0	0	114.6
26	A	24.5	Very low	24.6	Very low	93 Å²	93	124.6 Å²	124.6	77%	0.769	82%	0.815	S	S	*	*			trans	-177.2	123.7	151.7	0	0	0	0	0	112.5
27	C	23.6	Very low	24.6	Very low	134 Å²	134	121.3 Å²	121.3	91%	0.905	81%	0.812	S	S	*	*				172.5	157.7	126.4	-95	0	0	0	0	110.2
28	S	23.9	Very low	24.5	Very low	112 Å²	112	121.9 Å²	121.9	78%	0.783	81%	0.81	S	S	*	*			trans	-156.2	177.7	-153.6	53.1	0	0	0	0	114.8
29	V	25.6	Very low	24.6	Very low	137 Å²	137	124.7 Å²	124.7	83%	0.83	82%	0.821	S	S	*	*			trans	80.4	90.8	168.5	-165.2	0	0	0	0	117.2
30	G	22.8	Very low	24.7	Very low	78 Å²	78	123.7 Å²	123.7	80%	0.804	82%	0.815	S	S	*	*				78.6	114.8	95.9	0	0	0	0	0	119.9
31	A	25.3	Very low	24.7	Very low	109 Å²	109	121.2 Å²	121.2	90%	0.901	81%	0.812	S	S	*	*			trans	-145.2	166.6	151.2	0	0	0	0	0	109.2
32	K	25.6	Very low	24.8	Very low	181 Å²	181	120.8 Å²	120.8	79%	0.787	81%	0.808	S	S	*	*			trans	-142.7	164	-177.3	-156.6	-170.1	179.7	-160.2	0	108.8
33	E	23.8	Very low	24.9	Very low	161 Å²	161	120 Å²	120	75%	0.752	81%	0.81	S	S	*	*			trans	70	142.5	-177.9	-65.8	142.4	-142.8	0	0	113
34	D	23.1	Very low	25	Very low	149 Å²	149	118.4 Å²	118.4	80%	0.797	81%	0.805	S	S	*	*			cis	-147.4	177.5	-2.3	-140.1	-20	0	0	0	113.4
35	S	24.1	Very low	25.2	Very low	101 Å²	101	119.5 Å²	119.5	71%	0.706	81%	0.805	S	S	*	*			trans	-73.8	136.9	-168.8	63.2	0	0	0	0	117.7
36	V	24.7	Very low	25.2	Very low	142 Å²	142	120.3 Å²	120.3	86%	0.861	81%	0.807	S	S	*	*			trans	-146.6	140.6	140.5	-177.9	0	0	0	0	109.3
37	S	25	Very low	25.3	Very low	111 Å²	111	120.3 Å²	120.3	78%	0.776	80%	0.802	S	S	*	*			trans	-99.8	119.1	-178.6	56.8	0	0	0	0	114
38	V	25.1	Very low	25.6	Very low	132 Å²	132	119.5 Å²	119.5	80%	0.8	80%	0.797	S	S	*	*			trans	-141.6	113.8	155.2	-176.6	0	0	0	0	108.8	S40	V38-S40 PolarHBondContact O-N 3.27Å
39	S	24.8	Very low	26	Very low	120 Å²	120	121.3 Å²	121.3	84%	0.839	79%	0.791	S	S	*	*			trans	-89.7	100.3	178.9	52.6	0	0	0	0	111.5	G41	S39-G41 PolarHBondContact O-N 3.4Å
40	S	26.2	Very low	26.4	Very low	114 Å²	114	121.2 Å²	121.2	80%	0.797	79%	0.791	S	S	*	*			trans	-70.3	122.5	170.6	-61.7	0	0	0	0	110.8	V38 A42	V38-S40 PolarHBondContact O-N 3.27Å; S40-A42 PolarHBondContact O-N 3.33Å
41	G	26.1	Very low	27.3	Very low	83 Å²	83	124.6 Å²	124.6	86%	0.856	79%	0.786	S	S	*	*			trans	-72.5	112.4	-179.8	0	0	0	0	0	112.6	S39	S39-G41 PolarHBondContact O-N 3.4Å
42	A	27.6	Very low	28.5	Very low	94 Å²	94	126.1 Å²	126.1	78%	0.777	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-74.3	128.3	165	0	0	0	0	0	109.6	S40 N44	S40-A42 PolarHBondContact O-N 3.33Å; A42-N44 PolarHBondContact O-N 3.23Å
43	G	26.2	Very low	30.2	Very low	78 Å²	78	122 Å²	122	80%	0.804	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-76.1	120.2	176.8	0	0	0	0	0	111.5
44	N	27.7	Very low	32.9	Very low	153 Å²	153	116.3 Å²	116.3	82%	0.818	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-71.6	148	166.1	-75.9	-23.1	0	0	0	110.3	A42	A42-N44 PolarHBondContact O-N 3.23Å
45	P	28.6	Very low	36.1	Very low	109 Å²	109	109.3 Å²	109.3	71%	0.708	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-65.2	154.8	169.5	29.4	-34.7	0	0	0	111	S47	P45-S47 PolarHBondContact O-N 3.34Å; P45-S47 VanDerWaalsContact O-N 3.07Å
46	P	25.5	Very low	39.3	Very low	135 Å²	135	106.1 Å²	106.1	88%	0.877	67%	0.674	S	S	*	*			trans	-71.5	104.2	-176.5	29.2	-34.4	0	0	0	111.1
47	S	26.5	Very low	42.5	Very low	94 Å²	94	104.7 Å²	104.7	66%	0.657	66%	0.662	S	S	*	*			trans	-78.2	128.2	173.5	61.8	0	0	0	0	110.7	P45 F49	P45-S47 PolarHBondContact O-N 3.34Å; P45-S47 VanDerWaalsContact O-N 3.07Å; S47-F49 PolarHBondContact O-N 2.85Å
48	S	29.4	Very low	45.7	Very low	116 Å²	116	101.1 Å²	101.1	81%	0.811	64%	0.635	S	S	*	*			trans	-79.4	40.3	-172.9	45.1	0	0	0	0	114.3	T50	S48-T50 PolarHBondContact O-N 3.49Å
49	F	31.7	Very low	48.8	Very low	151 Å²	151	100 Å²	100	66%	0.662	62%	0.621	S	S	*	*			trans	-80.1	77.4	-177.4	-87.5	-97	0	0	0	113	S47	S47-F49 PolarHBondContact O-N 2.85Å
50	T	34.5	Very low	52.1	Low	134 Å²	134	95.1 Å²	95.1	82%	0.822	58%	0.584	S	S	*	*			trans	-138.3	38.5	172.5	59.2	0	0	0	0	114.5	S48	S48-T50 PolarHBondContact O-N 3.49Å
51	E	42	Very low	55.2	Low	149 Å²	149	91.3 Å²	91.3	70%	0.696	56%	0.555	S	S	*	*			trans	-142.7	3.1	-179	-140.7	159.3	-146.1	0	0	117.9	T53	E51-T53 PolarHBondContact O-N 3.49Å
52	E	51.3	Low	58.4	Low	141 Å²	141	92.1 Å²	92.1	66%	0.659	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	9.1	-172.7	-59.2	-168.9	132.8	0	0	116.9
53	T	61.3	Low	61.4	Low	96 Å²	96	91.8 Å²	91.8	59%	0.589	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-3.8	-171.7	54.3	0	0	0	0	115.3	E51	E51-T53 PolarHBondContact O-N 3.49Å
54	Q	79.6	Confident	64.5	Low	41 Å²	41	90.3 Å²	90.3	19%	0.192	51%	0.509	C	S	.	.	S	Bend	trans	-111.8	-179.5	-175.7	-58.8	-168.7	52.7	0	0	112.9	M75 R78	Q54-M75 HydrophobicContact CB-CE 3.76Å; Q54-R78 VanDerWaalsContact O-CB 3.23Å; Q54-R78 WeakPolarHBondContact O-CB 3.25Å; Q54-R78 WeakPolarHBondContact O-CD 3.43Å; Q54-R78 PolarHBondContact O-NE 3.14Å
55	G	89.8	Confident	67.4	Low	2 Å²	2	87.5 Å²	87.5	2%	0.021	49%	0.491	C	S	.	.			trans	-61.6	-171.3	175.6	0	0	0	0	0	115.5	A76 R78 C90	G55-A76 CarbonylContact C-O 3.59Å; G55-A76 WeakPolarHBondContact CA-O 3.29Å; G55-R78 PolarHBondContact O-NE 2.87Å; G55-R78 PolarHBondContact O-NH2 3.42Å; G55-C90 VanDerWaalsContact CA-SG 3.55Å
56	Y	92.7	Very high	70.2	Confident	34 Å²	34	85.7 Å²	85.7	13%	0.133	48%	0.48	C	S	.	.	B	Isolated β-bridge	trans	-86.6	111.3	169.5	-57.9	-83.3	0	0	0	110	V58 A76 R78 I127 L145	Y56-V58 PolarHBondContact O-N 3.27Å; Y56-A76 HydrophobicContact CD2-CB 4.35Å; Y56-A76 PolarHBondContact N-O 3.47Å; Y56-R78 HydrophobicContact CD2-CB 4.02Å; Y56-R78 HydrophobicContact CE1-CG 4.2Å; Y56-R78 VanDerWaalsContact CE2-CA 3.48Å; Y56-R78 HydrophobicContact CE2-CB 3.82Å; Y56-R78 HydrophobicContact CE2-CG 4.07Å; Y56-I127 HydrophobicContact CD2-CG2 4.11Å; Y56-I127 HydrophobicContact CE2-CG2 4.13Å; Y56-L145 HydrophobicContact CD1-CD1 4.2Å; Y56-L145 HydrophobicContact CD1-CD2 4.03Å; Y56-L145 HydrophobicContact CD1-CG 4.43Å; Y56-L145 HydrophobicContact CD2-CD2 3.85Å; Y56-L145 HydrophobicContact CE1-CD2 4.36Å; Y56-L145 HydrophobicContact CE2-CD2 4.18Å; Y56-L145 HydrophobicContact CG-CD2 3.77Å
57	D	90.4	Very high	73.3	Confident	112 Å²	112	83.4 Å²	83.4	60%	0.599	46%	0.457	S	S	*	.			trans	-91.4	84.3	173.1	-161.2	0.1	0	0	0	109	M75	D57-M75 HydrophobicContact CB-CE 4.27Å; D57-M75 HydrophobicContact CB-SD 3.6Å; D57-M75 VanDerWaalsContact CB-SD 3.6Å
58	V	91.9	Very high	76.6	Confident	35 Å²	35	79.4 Å²	79.4	21%	0.212	43%	0.427	C	S	.	.			trans	-146.1	152.9	-172.2	-62.8	0	0	0	0	109.9	Y56 F60 V132 L145 L148	Y56-V58 PolarHBondContact O-N 3.27Å; V58-F60 HydrophobicContact CG2-CD2 3.97Å; V58-F60 HydrophobicContact CG2-CE1 4.19Å; V58-F60 HydrophobicContact CG2-CE2 3.34Å; V58-F60 HydrophobicContact CG2-CZ 3.47Å; V58-F60 VanDerWaalsContact CG2-CZ 3.47Å; V58-F60 WeakPolarHBondContact O-CD2 3.47Å; V58-F60 PolarHBondContact O-N 2.91Å; V58-V132 HydrophobicContact CB-CG1 4.43Å; V58-V132 HydrophobicContact CG2-CG1 3.8Å; V58-L145 HydrophobicContact CG1-CD1 4.31Å; V58-L145 HydrophobicContact CG2-CD1 4.02Å; V58-L148 HydrophobicContact CB-CD2 4.36Å; V58-L148 HydrophobicContact CG1-CD2 3.61Å
59	E	91.3	Very high	79.7	Confident	108 Å²	108	77.1 Å²	77.1	51%	0.505	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	103.9	179.9	-166.3	179.9	-146.9	0	0	111	V132 R133	E59-V132 CarbonylContact O-C 3.58Å; E59-V132 VanDerWaalsContact O-CA 3.28Å; E59-V132 WeakPolarHBondContact O-CA 3.16Å; E59-R133 PolarHBondContact O-N 2.84Å; E59-R133 IonicContact OE1-CZ 3.13Å; E59-R133 IonicContact OE1-NE 2.66Å; E59-R133 IonicContact OE1-NH2 2.74Å; E59-R133 PolarHBondContact OE1-NH2 3.36Å; E59-R133 IonicContact OE2-CZ 2.76Å; E59-R133 VanDerWaalsContact OE2-CZ 3.32Å; E59-R133 IonicContact OE2-NE 2.71Å; E59-R133 PolarHBondContact OE2-NE 2.86Å; E59-R133 IonicContact OE2-NH2 2.64Å; E59-R133 PolarHBondContact OE2-NH2 2.9Å; E59-R133 VanDerWaalsContact OE2-NH2 3.12Å
60	F	94.4	Very high	82.6	Confident	18 Å²	18	70 Å²	70	8%	0.079	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	138.6	175	-66.2	-88.8	0	0	0	111.8	V58 P62 L64 A76 L130 M131 V132 L145	V58-F60 HydrophobicContact CG2-CD2 3.97Å; V58-F60 HydrophobicContact CG2-CE1 4.19Å; V58-F60 HydrophobicContact CG2-CE2 3.34Å; V58-F60 HydrophobicContact CG2-CZ 3.47Å; V58-F60 VanDerWaalsContact CG2-CZ 3.47Å; V58-F60 WeakPolarHBondContact O-CD2 3.47Å; V58-F60 PolarHBondContact O-N 2.91Å; F60-P62 CarbonylContact C-O 3.55Å; F60-P62 WeakPolarHBondContact CB-O 3.5Å; F60-P62 CarbonylContact O-C 3.53Å; F60-L64 HydrophobicContact CB-CB 4.24Å; F60-L64 HydrophobicContact CD1-CD1 4.27Å; F60-L64 HydrophobicContact CD2-CB 3.87Å; F60-L64 HydrophobicContact CD2-CD1 4.15Å; F60-L64 HydrophobicContact CD2-CD2 4.47Å; F60-L64 HydrophobicContact CD2-CG 4.39Å; F60-L64 HydrophobicContact CE1-CD1 4.21Å; F60-L64 HydrophobicContact CE2-CB 4.48Å; F60-L64 HydrophobicContact CE2-CD1 4.07Å; F60-L64 HydrophobicContact CE2-CD2 4.31Å; F60-L64 HydrophobicContact CG-CB 4.08Å; F60-L64 HydrophobicContact CG-CD1 4.25Å; F60-L64 HydrophobicContact CZ-CD1 4.11Å; F60-A76 HydrophobicContact CE1-CB 4.49Å; F60-A76 HydrophobicContact CE2-CB 3.61Å; F60-A76 HydrophobicContact CZ-CB 3.42Å; F60-A76 VanDerWaalsContact CZ-CB 3.42Å; F60-L130 HydrophobicContact CD1-CB 3.76Å; F60-L130 HydrophobicContact CD1-CD1 4Å; F60-L130 HydrophobicContact CE1-CB 3.83Å; F60-L130 HydrophobicContact CE1-CD1 3.89Å; F60-M131 WeakPolarHBondContact CA-O 3.45Å; F60-V132 HydrophobicContact CD1-CG1 3.43Å; F60-V132 VanDerWaalsContact CD1-CG1 3.43Å; F60-V132 HydrophobicContact CE1-CG1 3.57Å; F60-V132 HydrophobicContact CG-CG1 3.99Å; F60-V132 HydrophobicContact CZ-CG1 4.23Å; F60-L145 HydrophobicContact CE1-CD2 4.02Å; F60-L145 HydrophobicContact CZ-CD2 3.97Å
61	D	90.3	Very high	85.2	Confident	35 Å²	35	66.7 Å²	66.7	19%	0.187	35%	0.354	C	S	.	.	S	Bend	trans	-146.6	93.4	-177.6	-175.1	5.5	0	0	0	110.2	M131 R133 K142	D61-M131 PolarHBondContact N-O 2.88Å; D61-M131 VanDerWaalsContact O-CB 3.26Å; D61-M131 WeakPolarHBondContact O-CB 3.46Å; D61-R133 HydrophobicContact CB-CG 3.88Å; D61-R133 IonicContact OD1-NH1 2.89Å; D61-R133 WeakPolarHBondContact OD2-CD 3.44Å; D61-R133 IonicContact OD2-CZ 2.62Å; D61-R133 IonicContact OD2-NE 2.64Å; D61-R133 IonicContact OD2-NH1 3.98Å; D61-R133 PolarHBondContact OD2-NH1 3.47Å; D61-K142 IonicContact OD1-NZ 2.88Å; D61-K142 WeakPolarHBondContact OD2-CD 3.43Å; D61-K142 WeakPolarHBondContact OD2-CE 3.47Å; D61-K142 IonicContact OD2-NZ 3.57Å; D61-K142 PolarHBondContact OD2-NZ 3.18Å
62	P	93.1	Very high	87.4	Confident	99 Å²	99	62.8 Å²	62.8	64%	0.643	34%	0.337	S	S	*	.	S	Bend	cis	-69.8	158	13.4	29.5	-37.1	0	0	0	114.4	F60	F60-P62 CarbonylContact C-O 3.55Å; F60-P62 WeakPolarHBondContact CB-O 3.5Å; F60-P62 CarbonylContact O-C 3.53Å
63	P	90.8	Very high	89.1	Confident	87 Å²	87	56.4 Å²	56.4	57%	0.565	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-53.8	148.4	-179.3	-28.2	36.7	0	0	0	114.2	E65 P395	P63-E65 PolarHBondContact O-N 3.4Å; P63-P395 HydrophobicContact CG-CG 4.28Å
64	L	91.9	Very high	90.5	Very high	47 Å²	47	55 Å²	55	25%	0.246	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-59.7	126.5	-176.3	-175.7	70.2	0	0	0	112.4	F60 Y68 E69 A76 L130	F60-L64 HydrophobicContact CB-CB 4.24Å; F60-L64 HydrophobicContact CD1-CD1 4.27Å; F60-L64 HydrophobicContact CD2-CB 3.87Å; F60-L64 HydrophobicContact CD2-CD1 4.15Å; F60-L64 HydrophobicContact CD2-CD2 4.47Å; F60-L64 HydrophobicContact CD2-CG 4.39Å; F60-L64 HydrophobicContact CE1-CD1 4.21Å; F60-L64 HydrophobicContact CE2-CB 4.48Å; F60-L64 HydrophobicContact CE2-CD1 4.07Å; F60-L64 HydrophobicContact CE2-CD2 4.31Å; F60-L64 HydrophobicContact CG-CB 4.08Å; F60-L64 HydrophobicContact CG-CD1 4.25Å; F60-L64 HydrophobicContact CZ-CD1 4.11Å; L64-Y68 HydrophobicContact CD1-CD2 4.42Å; L64-E69 HydrophobicContact CD2-CB 4.4Å; L64-A76 HydrophobicContact CD1-CB 3.86Å; L64-A76 HydrophobicContact CD2-CB 3.7Å; L64-A76 HydrophobicContact CG-CB 4.45Å; L64-L130 HydrophobicContact CD1-CD1 3.66Å
65	E	88.9	Confident	91.1	Very high	95 Å²	95	54 Å²	54	44%	0.444	29%	0.291	S	S	.	.	P	Polyproline II helix	trans	-70.1	134.7	169.6	-62.8	-177.8	-95.4	0	0	111.3	P63 K67 Y68	P63-E65 PolarHBondContact O-N 3.4Å; E65-K67 HydrophobicContact CB-CD 4.34Å; E65-K67 HydrophobicContact CB-CG 4.05Å; E65-K67 VanDerWaalsContact CD-CE 3.41Å; E65-K67 PolarHBondContact O-N 3.49Å; E65-K67 WeakPolarHBondContact OE1-CE 3.16Å; E65-K67 IonicContact OE1-NZ 3.8Å; E65-K67 PolarHBondContact OE1-NZ 2.88Å; E65-K67 VanDerWaalsContact OE2-CE 3.25Å; E65-K67 WeakPolarHBondContact OE2-CE 3.34Å; E65-K67 IonicContact OE2-NZ 3.52Å; E65-K67 PolarHBondContact OE2-NZ 3.47Å; E65-Y68 HydrophobicContact CB-CD2 4.03Å; E65-Y68 HydrophobicContact CB-CE2 4.39Å; E65-Y68 WeakPolarHBondContact O-CB 3.31Å; E65-Y68 PolarHBondContact O-N 3.01Å
66	S	87.6	Confident	91.4	Very high	70 Å²	70	53.9 Å²	53.9	49%	0.49	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-59.5	-21.3	-177.9	57.4	0	0	0	0	114.6	Y68 E69	S66-Y68 PolarHBondContact O-N 3.1Å; S66-Y68 VanDerWaalsContact O-N 3.13Å; S66-E69 WeakPolarHBondContact O-CB 3.43Å; S66-E69 PolarHBondContact O-N 3.14Å
67	K	90.1	Very high	91.6	Very high	87 Å²	87	52.3 Å²	52.3	38%	0.378	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-62.9	-13.7	172	78.8	-167.4	-173.8	-157.2	0	114.2	E65 R88	E65-K67 HydrophobicContact CB-CD 4.34Å; E65-K67 HydrophobicContact CB-CG 4.05Å; E65-K67 VanDerWaalsContact CD-CE 3.41Å; E65-K67 PolarHBondContact O-N 3.49Å; E65-K67 WeakPolarHBondContact OE1-CE 3.16Å; E65-K67 IonicContact OE1-NZ 3.8Å; E65-K67 PolarHBondContact OE1-NZ 2.88Å; E65-K67 VanDerWaalsContact OE2-CE 3.25Å; E65-K67 WeakPolarHBondContact OE2-CE 3.34Å; E65-K67 IonicContact OE2-NZ 3.52Å; E65-K67 PolarHBondContact OE2-NZ 3.47Å; K67-R88 PolarHBondContact O-NH1 2.88Å
68	Y	95.1	Very high	91.8	Very high	10 Å²	10	50.9 Å²	50.9	4%	0.039	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-112.5	2.5	176.4	-59.2	-48.8	0	0	0	113.4	L64 E65 S66 A76 L77 E126 I127 L130	L64-Y68 HydrophobicContact CD1-CD2 4.42Å; E65-Y68 HydrophobicContact CB-CD2 4.03Å; E65-Y68 HydrophobicContact CB-CE2 4.39Å; E65-Y68 WeakPolarHBondContact O-CB 3.31Å; E65-Y68 PolarHBondContact O-N 3.01Å; S66-Y68 PolarHBondContact O-N 3.1Å; S66-Y68 VanDerWaalsContact O-N 3.13Å; Y68-A76 WeakPolarHBondContact O-CA 3.48Å; Y68-L77 VanDerWaalsContact O-CG 3.26Å; Y68-L77 WeakPolarHBondContact O-CG 3.2Å; Y68-L77 PolarHBondContact O-N 3.32Å; Y68-E126 HydrophobicContact CE1-CB 3.89Å; Y68-E126 WeakPolarHBondContact CE1-OE2 3.43Å; Y68-E126 VanDerWaalsContact OH-CD 3.26Å; Y68-E126 PolarHBondContact OH-OE1 3.18Å; Y68-E126 PolarHBondContact OH-OE2 3.49Å; Y68-I127 HydrophobicContact CD1-CD1 3.92Å; Y68-I127 HydrophobicContact CD1-CG1 3.65Å; Y68-I127 HydrophobicContact CD2-CG1 4.49Å; Y68-I127 HydrophobicContact CE1-CG1 4.34Å; Y68-I127 HydrophobicContact CG-CD1 4.13Å; Y68-I127 HydrophobicContact CG-CG1 3.75Å; Y68-L130 HydrophobicContact CD2-CD1 3.85Å; Y68-L130 HydrophobicContact CE2-CD1 4.19Å; Y68-L130 HydrophobicContact CE2-CD2 4.22Å
69	E	94.2	Very high	91.9	Very high	69 Å²	69	52.9 Å²	52.9	32%	0.322	28%	0.278	S	S	.	.	B	Isolated β-bridge	trans	-86.8	140.7	178.7	-167.7	-177.1	158	0	0	110.7	L64 S66 P71 L74	L64-E69 HydrophobicContact CD2-CB 4.4Å; S66-E69 WeakPolarHBondContact O-CB 3.43Å; S66-E69 PolarHBondContact O-N 3.14Å; E69-P71 WeakPolarHBondContact O-CD 3.43Å; E69-L74 VanDerWaalsContact OE1-CA 3.29Å; E69-L74 WeakPolarHBondContact OE1-CA 3.4Å; E69-L74 WeakPolarHBondContact OE1-CB 3.37Å; E69-L74 WeakPolarHBondContact OE1-CD2 3.47Å
70	C	94.3	Very high	92.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.255	C	S	.	.			trans	-85.2	118.8	173.7	-178.6	0	0	0	0	111.3	I72 C73 L74 M75 L77 C90	C70-I72 PolarHBondContact O-N 3.48Å; C70-C73 PolarHBondContact O-N 2.88Å; C70-L74 WeakPolarHBondContact O-CA 3.1Å; C70-L74 PolarHBondContact O-N 3.39Å; C70-M75 PolarHBondContact N-O 3.17Å; C70-L77 HydrophobicContact CB-CD2 3.75Å; C70-L77 HydrophobicContact CB-CG 4.47Å; C70-C90 VanDerWaalsContact CB-SG 3.5Å; C70-C90 PolarHBondContact SG-N 3.28Å; C70-C90 VanDerWaalsContact SG-N 3.35Å
71	P	89.2	Confident	92.4	Very high	66 Å²	66	47.3 Å²	47.3	43%	0.429	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-16	-178.6	-25	34.7	0	0	0	115.4	E69 R88 F89 V107	E69-P71 WeakPolarHBondContact O-CD 3.43Å; P71-R88 WeakPolarHBondContact CD-O 3.49Å; P71-F89 HydrophobicContact CB-CE1 4.15Å; P71-F89 HydrophobicContact CG-CD1 4.44Å; P71-F89 HydrophobicContact CG-CE1 4.08Å; P71-V107 HydrophobicContact CB-CG2 4.07Å; P71-V107 HydrophobicContact CG-CG2 4.17Å
72	I	86.7	Confident	92.7	Very high	66 Å²	66	47.9 Å²	47.9	34%	0.338	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-40.6	-179.8	-60.8	166.3	0	0	0	111.7	C70 F89 C93 I94 P106	C70-I72 PolarHBondContact O-N 3.48Å; I72-F89 HydrophobicContact CD1-CB 4.47Å; I72-F89 HydrophobicContact CD1-CD1 3.4Å; I72-F89 HydrophobicContact CD1-CE1 3.87Å; I72-F89 HydrophobicContact CD1-CG 4.13Å; I72-F89 HydrophobicContact CG1-CD1 3.7Å; I72-F89 HydrophobicContact CG1-CE1 3.92Å; I72-C93 HydrophobicContact CB-CB 3.99Å; I72-C93 HydrophobicContact CD1-CB 3.98Å; I72-C93 HydrophobicContact CG2-CB 3.92Å; I72-I94 HydrophobicContact CD1-CB 4.25Å; I72-I94 HydrophobicContact CD1-CD1 4.12Å; I72-P106 HydrophobicContact CD1-CG 4.15Å; I72-P106 HydrophobicContact CG1-CG 4.34Å
73	C	88.3	Confident	92.9	Very high	7 Å²	7	43.1 Å²	43.1	5%	0.047	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	-4.8	-172.8	75.7	0	0	0	0	115.1	C70 M75 K492	C70-C73 PolarHBondContact O-N 2.88Å; C73-M75 WeakPolarHBondContact O-CG 3.4Å; C73-M75 PolarHBondContact O-N 3.05Å; C73-K492 PolarHBondContact O-NZ 3.31Å
74	L	90.8	Very high	93.1	Very high	66 Å²	66	43.1 Å²	43.1	35%	0.346	22%	0.223	S	C	.	.	S	Bend	trans	54.4	45.3	177	-50.4	-175.9	0	0	0	113.8	E69 C70	E69-L74 VanDerWaalsContact OE1-CA 3.29Å; E69-L74 WeakPolarHBondContact OE1-CA 3.4Å; E69-L74 WeakPolarHBondContact OE1-CB 3.37Å; E69-L74 WeakPolarHBondContact OE1-CD2 3.47Å; C70-L74 WeakPolarHBondContact O-CA 3.1Å; C70-L74 PolarHBondContact O-N 3.39Å
75	M	92.2	Very high	93.3	Very high	20 Å²	20	43.1 Å²	43.1	10%	0.099	23%	0.227	C	C	.	.	S	Bend	trans	-148.3	166.4	-178.4	-60.5	179.9	-32.1	0	0	109	Q54 D57 C70 C73 K492	Q54-M75 HydrophobicContact CB-CE 3.76Å; D57-M75 HydrophobicContact CB-CE 4.27Å; D57-M75 HydrophobicContact CB-SD 3.6Å; D57-M75 VanDerWaalsContact CB-SD 3.6Å; C70-M75 PolarHBondContact N-O 3.17Å; C73-M75 WeakPolarHBondContact O-CG 3.4Å; C73-M75 PolarHBondContact O-N 3.05Å; M75-K492 PolarHBondContact SD-NZ 3.28Å
76	A	94.8	Very high	93.5	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.008	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-61.4	142.4	-178.7	0	0	0	0	0	112.9	G55 Y56 F60 L64 Y68 R78 I127	G55-A76 CarbonylContact C-O 3.59Å; G55-A76 WeakPolarHBondContact CA-O 3.29Å; Y56-A76 HydrophobicContact CD2-CB 4.35Å; Y56-A76 PolarHBondContact N-O 3.47Å; F60-A76 HydrophobicContact CE1-CB 4.49Å; F60-A76 HydrophobicContact CE2-CB 3.61Å; F60-A76 HydrophobicContact CZ-CB 3.42Å; F60-A76 VanDerWaalsContact CZ-CB 3.42Å; L64-A76 HydrophobicContact CD1-CB 3.86Å; L64-A76 HydrophobicContact CD2-CB 3.7Å; L64-A76 HydrophobicContact CG-CB 4.45Å; Y68-A76 WeakPolarHBondContact O-CA 3.48Å; A76-R78 PolarHBondContact O-N 3.38Å; A76-I127 HydrophobicContact CB-CG2 4.22Å
77	L	96.6	Very high	93.9	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	21%	0.208	C	C	.	.			trans	-63.7	98.1	-172.8	-60.8	152.9	0	0	0	113	Y68 C70 A80 R88 I127	Y68-L77 VanDerWaalsContact O-CG 3.26Å; Y68-L77 WeakPolarHBondContact O-CG 3.2Å; Y68-L77 PolarHBondContact O-N 3.32Å; C70-L77 HydrophobicContact CB-CD2 3.75Å; C70-L77 HydrophobicContact CB-CG 4.47Å; L77-A80 HydrophobicContact CB-CB 3.79Å; L77-A80 HydrophobicContact CD1-CB 4.44Å; L77-R88 HydrophobicContact CD1-CB 3.87Å; L77-R88 HydrophobicContact CD2-CB 4.15Å; L77-I127 HydrophobicContact CB-CD1 3.66Å; L77-I127 HydrophobicContact CD1-CD1 4.02Å; L77-I127 HydrophobicContact CG-CD1 4.28Å
78	R	95.4	Very high	94.2	Very high	81 Å²	81	37.6 Å²	37.6	31%	0.306	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	129.7	166.9	-171.5	-173.3	-53.6	-103	-1	109.6	Q54 G55 Y56 A76 C90	Q54-R78 VanDerWaalsContact O-CB 3.23Å; Q54-R78 WeakPolarHBondContact O-CB 3.25Å; Q54-R78 WeakPolarHBondContact O-CD 3.43Å; Q54-R78 PolarHBondContact O-NE 3.14Å; G55-R78 PolarHBondContact O-NE 2.87Å; G55-R78 PolarHBondContact O-NH2 3.42Å; Y56-R78 HydrophobicContact CD2-CB 4.02Å; Y56-R78 HydrophobicContact CE1-CG 4.2Å; Y56-R78 VanDerWaalsContact CE2-CA 3.48Å; Y56-R78 HydrophobicContact CE2-CB 3.82Å; Y56-R78 HydrophobicContact CE2-CG 4.07Å; A76-R78 PolarHBondContact O-N 3.38Å; R78-C90 PolarHBondContact N-SG 2.98Å; R78-C90 VanDerWaalsContact N-SG 3.38Å; R78-C90 WeakPolarHBondContact O-CA 3.29Å; R78-C90 WeakPolarHBondContact O-CB 3.19Å
79	E	95.1	Very high	94.3	Very high	78 Å²	78	37.1 Å²	37.1	36%	0.364	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	59.7	-171.1	-61.4	-116.1	101.9	0	0	110.5	V81 K91 K124	E79-V81 PolarHBondContact O-N 2.74Å; E79-K91 HydrophobicContact CB-CB 3.73Å; E79-K91 HydrophobicContact CB-CD 4.19Å; E79-K91 WeakPolarHBondContact O-CB 3.3Å; E79-K91 PolarHBondContact O-N 2.89Å; E79-K91 WeakPolarHBondContact OE2-CD 3.45Å; E79-K91 IonicContact OE2-NZ 3.16Å; E79-K91 PolarHBondContact OE2-NZ 3.42Å; E79-K124 IonicContact OE1-NZ 2.9Å; E79-K124 PolarHBondContact OE1-NZ 2.96Å
80	A	97.1	Very high	94.5	Very high	2 Å²	2	33.9 Å²	33.9	2%	0.017	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	122.9	-178.3	0	0	0	0	0	111.3	L77 D120 A123 K124	L77-A80 HydrophobicContact CB-CB 3.79Å; L77-A80 HydrophobicContact CD1-CB 4.44Å; A80-D120 HydrophobicContact CB-CB 4.27Å; A80-D120 PolarHBondContact O-N 2.76Å; A80-A123 HydrophobicContact CB-CB 4.23Å; A80-K124 HydrophobicContact CB-CB 4.36Å
81	V	97.4	Very high	94.5	Very high	6 Å²	6	38.7 Å²	38.7	4%	0.036	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	151.1	170	-67	0	0	0	0	109	E79 R88 F89 K91 I94 F118	E79-V81 PolarHBondContact O-N 2.74Å; V81-R88 WeakPolarHBondContact O-CA 3.47Å; V81-F89 HydrophobicContact CG2-CB 4.49Å; V81-F89 WeakPolarHBondContact CG2-O 3.47Å; V81-F89 PolarHBondContact N-O 3.12Å; V81-F89 PolarHBondContact O-N 3.4Å; V81-K91 HydrophobicContact CG1-CB 3.93Å; V81-K91 HydrophobicContact CG1-CG 4.2Å; V81-K91 HydrophobicContact CG2-CB 4.28Å; V81-I94 HydrophobicContact CG2-CG2 3.52Å; V81-F118 CarbonylContact C-O 3.52Å; V81-F118 VanDerWaalsContact CA-O 3.29Å; V81-F118 WeakPolarHBondContact CA-O 3.43Å
82	Q	97.6	Very high	94.7	Very high	47 Å²	47	37.1 Å²	37.1	22%	0.22	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	148.2	177.4	-177.2	-178.7	-16.2	0	0	109.9	H87 R88 F118 D120	Q82-H87 CarbonylContact C-O 3.57Å; Q82-H87 VanDerWaalsContact CA-O 3.32Å; Q82-H87 WeakPolarHBondContact CA-O 3.47Å; Q82-R88 HydrophobicContact CB-CG 4.3Å; Q82-R88 HydrophobicContact CG-CG 4.32Å; Q82-F118 HydrophobicContact CB-CD2 4.04Å; Q82-F118 HydrophobicContact CB-CE1 4.27Å; Q82-F118 HydrophobicContact CB-CE2 3.53Å; Q82-F118 HydrophobicContact CB-CZ 3.67Å; Q82-F118 VanDerWaalsContact CD-CZ 3.49Å; Q82-F118 HydrophobicContact CG-CE1 4.21Å; Q82-F118 HydrophobicContact CG-CE2 3.76Å; Q82-F118 HydrophobicContact CG-CZ 3.47Å; Q82-F118 VanDerWaalsContact CG-CZ 3.47Å; Q82-F118 PolarHBondContact N-O 2.79Å; Q82-F118 WeakPolarHBondContact O-CD1 3.43Å; Q82-F118 WeakPolarHBondContact O-CE1 3.39Å; Q82-F118 PolarHBondContact O-N 2.71Å; Q82-F118 VanDerWaalsContact O-N 3.09Å; Q82-D120 HydrophobicContact CB-CB 4.35Å
83	T	96.4	Very high	95.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.189	C	C	.	.			trans	-93.6	162.1	179.3	62.4	0	0	0	0	111.7	C85 G86 H87 F89 L112 L117 F118	T83-C85 PolarHBondContact O-N 3.4Å; T83-C85 PolarHBondContact OG1-SG 2.91Å; T83-G86 WeakPolarHBondContact O-CA 3.37Å; T83-G86 PolarHBondContact O-N 2.83Å; T83-G86 PolarHBondContact OG1-N 2.86Å; T83-H87 PolarHBondContact N-O 2.89Å; T83-H87 PolarHBondContact OG1-N 2.9Å; T83-H87 PolarHBondContact OG1-O 2.77Å; T83-F89 HydrophobicContact CG2-CD2 3.92Å; T83-F89 HydrophobicContact CG2-CE2 3.66Å; T83-L112 HydrophobicContact CG2-CD1 3.81Å; T83-L112 HydrophobicContact CG2-CD2 3.56Å; T83-L112 HydrophobicContact CG2-CG 4.36Å; T83-L117 HydrophobicContact CG2-CD2 3.96Å; T83-F118 WeakPolarHBondContact O-CE1 3.27Å
84	P	96.6	Very high	95.4	Very high	86 Å²	86	34.1 Å²	34.1	56%	0.558	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-30.7	173	-25.7	35.4	0	0	0	114.2	G86 Q116	P84-G86 PolarHBondContact O-N 3.11Å; P84-Q116 HydrophobicContact CG-CB 3.87Å
85	C	94.5	Very high	95.6	Very high	47 Å²	47	32 Å²	32	32%	0.318	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	3.7	173	57.8	0	0	0	0	114.3	T83 D108 E110	T83-C85 PolarHBondContact O-N 3.4Å; T83-C85 PolarHBondContact OG1-SG 2.91Å; C85-D108 WeakPolarHBondContact CB-OD2 3.4Å; C85-D108 PolarHBondContact SG-OD2 3.17Å; C85-E110 HydrophobicContact CB-CB 4.17Å; C85-E110 HydrophobicContact CB-CG 4.19Å
86	G	94.1	Very high	95.6	Very high	39 Å²	39	36.5 Å²	36.5	40%	0.402	20%	0.196	S	C	.	.	S	Bend	trans	91.6	3.9	170.1	0	0	0	0	0	116.3	T83 P84	T83-G86 WeakPolarHBondContact O-CA 3.37Å; T83-G86 PolarHBondContact O-N 2.83Å; T83-G86 PolarHBondContact OG1-N 2.86Å; P84-G86 PolarHBondContact O-N 3.11Å
87	H	95.3	Very high	95.4	Very high	30 Å²	30	37.5 Å²	37.5	14%	0.139	20%	0.203	C	C	.	.			trans	-88.8	141.3	-177.9	-69.2	108.8	0	0	0	112.3	Q82 T83 F89 V107 D108 R425	Q82-H87 CarbonylContact C-O 3.57Å; Q82-H87 VanDerWaalsContact CA-O 3.32Å; Q82-H87 WeakPolarHBondContact CA-O 3.47Å; T83-H87 PolarHBondContact N-O 2.89Å; T83-H87 PolarHBondContact OG1-N 2.9Å; T83-H87 PolarHBondContact OG1-O 2.77Å; H87-F89 HydrophobicContact CB-CE2 3.65Å; H87-F89 HydrophobicContact CB-CZ 3.88Å; H87-V107 WeakPolarHBondContact NE2-CG1 3.32Å; H87-D108 IonicContact CE1-OD2 3.61Å; H87-D108 PolarHBondContact CE1-OD2 2.91Å; H87-D108 IonicContact ND1-OD2 3.83Å; H87-D108 PolarHBondContact ND1-OD2 3.19Å; H87-R425 PolarHBondContact NE2-NH2 2.87Å
88	R	97.4	Very high	95.2	Very high	67 Å²	67	37.9 Å²	37.9	25%	0.253	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	139	-176.4	-74	175.1	165.5	164.1	-4.4	112.2	K67 P71 L77 V81 Q82 D120	K67-R88 PolarHBondContact O-NH1 2.88Å; P71-R88 WeakPolarHBondContact CD-O 3.49Å; L77-R88 HydrophobicContact CD1-CB 3.87Å; L77-R88 HydrophobicContact CD2-CB 4.15Å; V81-R88 WeakPolarHBondContact O-CA 3.47Å; Q82-R88 HydrophobicContact CB-CG 4.3Å; Q82-R88 HydrophobicContact CG-CG 4.32Å; R88-D120 IonicContact CZ-OD2 2.73Å; R88-D120 IonicContact NE-OD2 3.87Å; R88-D120 PolarHBondContact NE-OD2 3.34Å; R88-D120 IonicContact NH2-OD2 2.74Å; R88-D120 PolarHBondContact NH2-OD2 3.17Å
89	F	96.7	Very high	94.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	159.9	178.2	-55.2	-83.1	0	0	0	112.3	P71 I72 V81 T83 H87 I94 P106 V107	P71-F89 HydrophobicContact CB-CE1 4.15Å; P71-F89 HydrophobicContact CG-CD1 4.44Å; P71-F89 HydrophobicContact CG-CE1 4.08Å; I72-F89 HydrophobicContact CD1-CB 4.47Å; I72-F89 HydrophobicContact CD1-CD1 3.4Å; I72-F89 HydrophobicContact CD1-CE1 3.87Å; I72-F89 HydrophobicContact CD1-CG 4.13Å; I72-F89 HydrophobicContact CG1-CD1 3.7Å; I72-F89 HydrophobicContact CG1-CE1 3.92Å; V81-F89 HydrophobicContact CG2-CB 4.49Å; V81-F89 WeakPolarHBondContact CG2-O 3.47Å; V81-F89 PolarHBondContact N-O 3.12Å; V81-F89 PolarHBondContact O-N 3.4Å; T83-F89 HydrophobicContact CG2-CD2 3.92Å; T83-F89 HydrophobicContact CG2-CE2 3.66Å; H87-F89 HydrophobicContact CB-CE2 3.65Å; H87-F89 HydrophobicContact CB-CZ 3.88Å; F89-I94 HydrophobicContact CB-CB 3.65Å; F89-I94 HydrophobicContact CB-CG1 4.39Å; F89-I94 HydrophobicContact CB-CG2 3.94Å; F89-I94 HydrophobicContact CD1-CD1 4.38Å; F89-I94 HydrophobicContact CD2-CB 4.13Å; F89-I94 HydrophobicContact CD2-CD1 3.86Å; F89-I94 HydrophobicContact CD2-CG1 3.92Å; F89-I94 HydrophobicContact CE1-CD1 4.47Å; F89-I94 HydrophobicContact CE2-CD1 3.97Å; F89-I94 HydrophobicContact CE2-CG1 4.45Å; F89-I94 HydrophobicContact CG-CB 3.89Å; F89-I94 HydrophobicContact CG-CD1 4.08Å; F89-I94 HydrophobicContact CG-CG1 4.16Å; F89-I94 HydrophobicContact CZ-CD1 4.27Å; F89-P106 HydrophobicContact CE1-CG 4.41Å; F89-V107 HydrophobicContact CE1-CG2 4.11Å; F89-V107 HydrophobicContact CZ-CG2 3.87Å
90	C	97.6	Very high	94.5	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.007	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	133.8	160.7	-51.2	0	0	0	0	108	G55 C70 R78 G92 C93 I94	G55-C90 VanDerWaalsContact CA-SG 3.55Å; C70-C90 VanDerWaalsContact CB-SG 3.5Å; C70-C90 PolarHBondContact SG-N 3.28Å; C70-C90 VanDerWaalsContact SG-N 3.35Å; R78-C90 PolarHBondContact N-SG 2.98Å; R78-C90 VanDerWaalsContact N-SG 3.38Å; R78-C90 WeakPolarHBondContact O-CA 3.29Å; R78-C90 WeakPolarHBondContact O-CB 3.19Å; C90-G92 VanDerWaalsContact C-N 3.34Å; C90-G92 PolarHBondContact O-N 3.37Å; C90-C93 HydrophobicContact CB-CB 3.99Å; C90-C93 WeakPolarHBondContact O-CB 3.35Å; C90-C93 PolarHBondContact O-N 3.35Å; C90-I94 PolarHBondContact O-N 3.21Å
91	K	95.8	Very high	93.8	Very high	101 Å²	101	46.9 Å²	46.9	44%	0.439	26%	0.255	S	S	.	.	H	α-helix	trans	-48.9	-51.1	179.3	-177.8	-174.4	170.2	-169.8	0	113	E79 V81 C93 I94 V95	E79-K91 HydrophobicContact CB-CB 3.73Å; E79-K91 HydrophobicContact CB-CD 4.19Å; E79-K91 WeakPolarHBondContact O-CB 3.3Å; E79-K91 PolarHBondContact O-N 2.89Å; E79-K91 WeakPolarHBondContact OE2-CD 3.45Å; E79-K91 IonicContact OE2-NZ 3.16Å; E79-K91 PolarHBondContact OE2-NZ 3.42Å; V81-K91 HydrophobicContact CG1-CB 3.93Å; V81-K91 HydrophobicContact CG1-CG 4.2Å; V81-K91 HydrophobicContact CG2-CB 4.28Å; K91-C93 VanDerWaalsContact C-N 3.29Å; K91-C93 PolarHBondContact O-N 3.36Å; K91-I94 WeakPolarHBondContact O-CG2 3.21Å; K91-I94 PolarHBondContact O-N 3.27Å; K91-V95 HydrophobicContact CG-CG2 4.47Å; K91-V95 WeakPolarHBondContact O-CB 3.34Å; K91-V95 VanDerWaalsContact O-CG2 3.25Å; K91-V95 WeakPolarHBondContact O-CG2 3.49Å; K91-V95 PolarHBondContact O-N 2.88Å
92	G	93.6	Very high	93.1	Very high	33 Å²	33	48 Å²	48	34%	0.34	27%	0.269	S	S	.	.	H	α-helix	trans	-60	-36.2	178.2	0	0	0	0	0	113.7	C90 K96	C90-G92 VanDerWaalsContact C-N 3.34Å; C90-G92 PolarHBondContact O-N 3.37Å; G92-K96 VanDerWaalsContact O-CB 3.32Å; G92-K96 WeakPolarHBondContact O-CB 3.48Å; G92-K96 PolarHBondContact O-N 3.48Å; G92-K96 VanDerWaalsContact O-N 3.14Å
93	C	93.9	Very high	92.9	Very high	11 Å²	11	51.5 Å²	51.5	7%	0.074	29%	0.285	C	S	.	.	H	α-helix	trans	-70.4	-46	178.9	-64	0	0	0	0	112.5	I72 C90 K91 S97	I72-C93 HydrophobicContact CB-CB 3.99Å; I72-C93 HydrophobicContact CD1-CB 3.98Å; I72-C93 HydrophobicContact CG2-CB 3.92Å; C90-C93 HydrophobicContact CB-CB 3.99Å; C90-C93 WeakPolarHBondContact O-CB 3.35Å; C90-C93 PolarHBondContact O-N 3.35Å; K91-C93 VanDerWaalsContact C-N 3.29Å; K91-C93 PolarHBondContact O-N 3.36Å; C93-S97 PolarHBondContact O-N 2.99Å
94	I	94.8	Very high	92.6	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-74.9	-36.9	-178.6	-170.7	61.7	0	0	0	112.4	I72 V81 F89 C90 K91 K96 S97 I98 P106 L112 L117	I72-I94 HydrophobicContact CD1-CB 4.25Å; I72-I94 HydrophobicContact CD1-CD1 4.12Å; V81-I94 HydrophobicContact CG2-CG2 3.52Å; F89-I94 HydrophobicContact CB-CB 3.65Å; F89-I94 HydrophobicContact CB-CG1 4.39Å; F89-I94 HydrophobicContact CB-CG2 3.94Å; F89-I94 HydrophobicContact CD1-CD1 4.38Å; F89-I94 HydrophobicContact CD2-CB 4.13Å; F89-I94 HydrophobicContact CD2-CD1 3.86Å; F89-I94 HydrophobicContact CD2-CG1 3.92Å; F89-I94 HydrophobicContact CE1-CD1 4.47Å; F89-I94 HydrophobicContact CE2-CD1 3.97Å; F89-I94 HydrophobicContact CE2-CG1 4.45Å; F89-I94 HydrophobicContact CG-CB 3.89Å; F89-I94 HydrophobicContact CG-CD1 4.08Å; F89-I94 HydrophobicContact CG-CG1 4.16Å; F89-I94 HydrophobicContact CZ-CD1 4.27Å; C90-I94 PolarHBondContact O-N 3.21Å; K91-I94 WeakPolarHBondContact O-CG2 3.21Å; K91-I94 PolarHBondContact O-N 3.27Å; I94-K96 VanDerWaalsContact C-N 3.3Å; I94-K96 PolarHBondContact O-N 3.39Å; I94-S97 PolarHBondContact O-N 2.72Å; I94-S97 VanDerWaalsContact O-N 3.1Å; I94-I98 HydrophobicContact CD1-CG1 4.43Å; I94-I98 HydrophobicContact CG1-CD1 4.07Å; I94-I98 HydrophobicContact CG1-CG1 4.37Å; I94-I98 WeakPolarHBondContact O-CG1 2.98Å; I94-I98 PolarHBondContact O-N 3.2Å; I94-P106 VanDerWaalsContact CD1-CD 3.48Å; I94-P106 HydrophobicContact CD1-CG 3.96Å; I94-L112 HydrophobicContact CD1-CD2 3.82Å; I94-L112 HydrophobicContact CG1-CD2 3.99Å; I94-L117 HydrophobicContact CG1-CD1 4.5Å; I94-L117 HydrophobicContact CG1-CD2 3.98Å; I94-L117 HydrophobicContact CG2-CD1 3.72Å; I94-L117 HydrophobicContact CG2-CD2 4.07Å
95	V	94.1	Very high	92.4	Very high	22 Å²	22	51.2 Å²	51.2	13%	0.133	28%	0.275	C	S	.	.	H	α-helix	trans	-60.1	-42.6	172.6	170.1	0	0	0	0	110.7	K91 R99 E114 L117	K91-V95 HydrophobicContact CG-CG2 4.47Å; K91-V95 WeakPolarHBondContact O-CB 3.34Å; K91-V95 VanDerWaalsContact O-CG2 3.25Å; K91-V95 WeakPolarHBondContact O-CG2 3.49Å; K91-V95 PolarHBondContact O-N 2.88Å; V95-R99 WeakPolarHBondContact O-CB 3.5Å; V95-R99 PolarHBondContact O-N 2.92Å; V95-E114 WeakPolarHBondContact CG1-OE1 3.36Å; V95-E114 HydrophobicContact CG2-CG 4.08Å; V95-E114 WeakPolarHBondContact CG2-OE1 3.39Å; V95-L117 HydrophobicContact CG2-CD1 4.09Å
96	K	92.3	Very high	92.2	Very high	114 Å²	114	51.5 Å²	51.5	50%	0.496	28%	0.276	S	S	.	.	H	α-helix	trans	-62.6	-44.1	171.9	-175.2	172.4	179.9	178.6	0	111.8	G92 I94 I98 R99 D100	G92-K96 VanDerWaalsContact O-CB 3.32Å; G92-K96 WeakPolarHBondContact O-CB 3.48Å; G92-K96 PolarHBondContact O-N 3.48Å; G92-K96 VanDerWaalsContact O-N 3.14Å; I94-K96 VanDerWaalsContact C-N 3.3Å; I94-K96 PolarHBondContact O-N 3.39Å; K96-I98 PolarHBondContact O-N 3.24Å; K96-R99 WeakPolarHBondContact O-CB 3.37Å; K96-R99 PolarHBondContact O-N 3.07Å; K96-D100 WeakPolarHBondContact CE-OD2 3.38Å; K96-D100 WeakPolarHBondContact CG-OD2 3.41Å; K96-D100 IonicContact NZ-OD2 2.69Å; K96-D100 WeakPolarHBondContact O-CB 3.3Å; K96-D100 VanDerWaalsContact O-CG 3.29Å; K96-D100 PolarHBondContact O-N 3.37Å
97	S	92.1	Very high	91.9	Very high	22 Å²	22	52.6 Å²	52.6	15%	0.154	28%	0.275	C	S	.	.	H	α-helix	trans	-65.7	-36.2	-179.8	-166.8	0	0	0	0	113.8	C93 I94 R99 A101 P106	C93-S97 PolarHBondContact O-N 2.99Å; I94-S97 PolarHBondContact O-N 2.72Å; I94-S97 VanDerWaalsContact O-N 3.1Å; S97-R99 VanDerWaalsContact C-N 3.29Å; S97-A101 WeakPolarHBondContact O-CA 3.38Å; S97-A101 WeakPolarHBondContact O-CB 3.36Å; S97-A101 PolarHBondContact O-N 2.69Å; S97-P106 VanDerWaalsContact OG-CG 3.26Å; S97-P106 WeakPolarHBondContact OG-CG 3.27Å
98	I	91.8	Very high	91.6	Very high	8 Å²	8	53.9 Å²	53.9	4%	0.041	28%	0.283	C	S	.	.	H	α-helix	trans	-64.6	-37.7	175.8	-70.9	168.4	0	0	0	110.6	I94 K96 G102 L112 E114 L117	I94-I98 HydrophobicContact CD1-CG1 4.43Å; I94-I98 HydrophobicContact CG1-CD1 4.07Å; I94-I98 HydrophobicContact CG1-CG1 4.37Å; I94-I98 WeakPolarHBondContact O-CG1 2.98Å; I94-I98 PolarHBondContact O-N 3.2Å; K96-I98 PolarHBondContact O-N 3.24Å; I98-G102 WeakPolarHBondContact CA-O 3.36Å; I98-G102 CarbonylContact O-C 3.48Å; I98-G102 WeakPolarHBondContact O-CA 3.5Å; I98-G102 PolarHBondContact O-N 2.92Å; I98-L112 HydrophobicContact CD1-CD2 3.93Å; I98-L112 HydrophobicContact CD1-CG 3.93Å; I98-L112 HydrophobicContact CG1-CD2 4.21Å; I98-L112 HydrophobicContact CG1-CG 4.4Å; I98-E114 HydrophobicContact CD1-CB 4.48Å; I98-L117 HydrophobicContact CD1-CD1 4.06Å; I98-L117 HydrophobicContact CD1-CD2 4.49Å; I98-L117 HydrophobicContact CD1-CG 4.45Å
99	R	89.7	Confident	91.2	Very high	187 Å²	187	55.2 Å²	55.2	71%	0.706	30%	0.295	S	S	*	.	H	α-helix	trans	-71.9	-46.8	177.3	-174.9	-175.8	-57.2	-175.7	2.9	113	V95 K96 S97	V95-R99 WeakPolarHBondContact O-CB 3.5Å; V95-R99 PolarHBondContact O-N 2.92Å; K96-R99 WeakPolarHBondContact O-CB 3.37Å; K96-R99 PolarHBondContact O-N 3.07Å; S97-R99 VanDerWaalsContact C-N 3.29Å
100	D	86.3	Confident	90.9	Very high	103 Å²	103	60.8 Å²	60.8	55%	0.551	32%	0.321	S	S	*	.	H	α-helix	trans	-92	-32.2	-167.5	-63	4.1	0	0	0	112.7	K96	K96-D100 WeakPolarHBondContact CE-OD2 3.38Å; K96-D100 WeakPolarHBondContact CG-OD2 3.41Å; K96-D100 IonicContact NZ-OD2 2.69Å; K96-D100 WeakPolarHBondContact O-CB 3.3Å; K96-D100 VanDerWaalsContact O-CG 3.29Å; K96-D100 PolarHBondContact O-N 3.37Å
101	A	82	Confident	90.7	Very high	60 Å²	60	67.1 Å²	67.1	50%	0.496	35%	0.353	S	S	.	.	S	Bend	trans	-112.1	4.2	-178.4	0	0	0	0	0	114	S97 K104	S97-A101 WeakPolarHBondContact O-CA 3.38Å; S97-A101 WeakPolarHBondContact O-CB 3.36Å; S97-A101 PolarHBondContact O-N 2.69Å; A101-K104 WeakPolarHBondContact O-CE 3.42Å
102	G	82.6	Confident	90.6	Very high	31 Å²	31	62.4 Å²	62.4	32%	0.32	33%	0.333	S	S	.	.			trans	89.5	170.8	178.4	0	0	0	0	0	114.6	I98 K104	I98-G102 WeakPolarHBondContact CA-O 3.36Å; I98-G102 CarbonylContact O-C 3.48Å; I98-G102 WeakPolarHBondContact O-CA 3.5Å; I98-G102 PolarHBondContact O-N 2.92Å; G102-K104 PolarHBondContact O-N 3.1Å
103	H	93.4	Very high	90.6	Very high	120 Å²	120	63.8 Å²	63.8	56%	0.556	33%	0.332	S	S	*	.	S	Bend	trans	-71.6	64.2	-171.7	-63.2	175.1	0	0	0	114.2	L112 L113	H103-L112 CarbonylContact C-O 3.17Å; H103-L112 WeakPolarHBondContact CA-O 3.45Å; H103-L112 WeakPolarHBondContact CB-O 3.46Å; H103-L112 PolarHBondContact O-N 3.29Å; H103-L113 HydrophobicContact CB-CD2 3.95Å; H103-L113 WeakPolarHBondContact ND1-CD2 3.16Å
104	K	89.9	Confident	90.6	Very high	79 Å²	79	68.2 Å²	68.2	34%	0.343	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-148.1	153.5	-179.2	62.3	178	-174.8	164.5	0	112.7	A101 G102 N109 E110	A101-K104 WeakPolarHBondContact O-CE 3.42Å; G102-K104 PolarHBondContact O-N 3.1Å; K104-N109 HydrophobicContact CD-CB 4.35Å; K104-N109 PolarHBondContact NZ-OD1 3.02Å; K104-E110 CarbonylContact C-O 3.57Å; K104-E110 WeakPolarHBondContact CA-O 3.44Å
105	C	92.6	Very high	90.6	Very high	0 Å²	0	74.9 Å²	74.9	0%	0	39%	0.387	C	S	.	.			trans	-72.5	128.9	171.8	170.7	0	0	0	0	110.5	V107 D108 N109 E110 L112	C105-V107 PolarHBondContact O-N 2.96Å; C105-V107 VanDerWaalsContact O-N 3.13Å; C105-D108 WeakPolarHBondContact CB-OD1 3.38Å; C105-D108 PolarHBondContact SG-OD1 2.94Å; C105-N109 VanDerWaalsContact O-CA 3.24Å; C105-N109 WeakPolarHBondContact O-CA 3.5Å; C105-N109 PolarHBondContact O-N 3.27Å; C105-E110 PolarHBondContact N-O 3.35Å; C105-L112 HydrophobicContact CB-CB 4.42Å; C105-L112 HydrophobicContact CB-CD2 4.07Å
106	P	89.6	Confident	90.5	Very high	54 Å²	54	77.4 Å²	77.4	35%	0.351	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-10.2	-176.9	-28.4	38.6	0	0	0	117	I72 F89 I94 S97	I72-P106 HydrophobicContact CD1-CG 4.15Å; I72-P106 HydrophobicContact CG1-CG 4.34Å; F89-P106 HydrophobicContact CE1-CG 4.41Å; I94-P106 VanDerWaalsContact CD1-CD 3.48Å; I94-P106 HydrophobicContact CD1-CG 3.96Å; S97-P106 VanDerWaalsContact OG-CG 3.26Å; S97-P106 WeakPolarHBondContact OG-CG 3.27Å
107	V	87.6	Confident	90.7	Very high	61 Å²	61	73.4 Å²	73.4	37%	0.37	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-36	-172.8	-179.8	0	0	0	0	112.7	P71 H87 F89 C105	P71-V107 HydrophobicContact CB-CG2 4.07Å; P71-V107 HydrophobicContact CG-CG2 4.17Å; H87-V107 WeakPolarHBondContact NE2-CG1 3.32Å; F89-V107 HydrophobicContact CE1-CG2 4.11Å; F89-V107 HydrophobicContact CZ-CG2 3.87Å; C105-V107 PolarHBondContact O-N 2.96Å; C105-V107 VanDerWaalsContact O-N 3.13Å
108	D	90.6	Very high	90.9	Very high	57 Å²	57	76.6 Å²	76.6	31%	0.305	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-11.6	-176.3	50.2	26.7	0	0	0	113.3	C85 H87 C105 E110	C85-D108 WeakPolarHBondContact CB-OD2 3.4Å; C85-D108 PolarHBondContact SG-OD2 3.17Å; H87-D108 IonicContact CE1-OD2 3.61Å; H87-D108 PolarHBondContact CE1-OD2 2.91Å; H87-D108 IonicContact ND1-OD2 3.83Å; H87-D108 PolarHBondContact ND1-OD2 3.19Å; C105-D108 WeakPolarHBondContact CB-OD1 3.38Å; C105-D108 PolarHBondContact SG-OD1 2.94Å; D108-E110 HydrophobicContact CB-CG 4.43Å; D108-E110 PolarHBondContact O-N 2.84Å; D108-E110 WeakPolarHBondContact OD1-CB 3.37Å; D108-E110 PolarHBondContact OD1-N 3.14Å
109	N	89.1	Confident	91.2	Very high	95 Å²	95	80.2 Å²	80.2	51%	0.508	42%	0.417	S	S	.	.			trans	65.3	15.4	-171.6	-57.2	-96.1	0	0	0	115.1	K104 C105	K104-N109 HydrophobicContact CD-CB 4.35Å; K104-N109 PolarHBondContact NZ-OD1 3.02Å; C105-N109 VanDerWaalsContact O-CA 3.24Å; C105-N109 WeakPolarHBondContact O-CA 3.5Å; C105-N109 PolarHBondContact O-N 3.27Å
110	E	89.9	Confident	91.6	Very high	117 Å²	117	71.9 Å²	71.9	55%	0.547	39%	0.386	S	S	.	.			trans	-61.1	146.5	171.6	-78	-63.2	162.5	0	0	111.6	C85 K104 C105 D108 L112	C85-E110 HydrophobicContact CB-CB 4.17Å; C85-E110 HydrophobicContact CB-CG 4.19Å; K104-E110 CarbonylContact C-O 3.57Å; K104-E110 WeakPolarHBondContact CA-O 3.44Å; C105-E110 PolarHBondContact N-O 3.35Å; D108-E110 HydrophobicContact CB-CG 4.43Å; D108-E110 PolarHBondContact O-N 2.84Å; D108-E110 WeakPolarHBondContact OD1-CB 3.37Å; D108-E110 PolarHBondContact OD1-N 3.14Å; E110-L112 PolarHBondContact O-N 3.07Å
111	I	92.8	Very high	92	Very high	135 Å²	135	71.9 Å²	71.9	69%	0.692	39%	0.386	S	S	*	.	B	Isolated β-bridge	trans	-64.1	127.4	-177.1	-60.5	177.4	0	0	0	109.6
112	L	94.5	Very high	92.7	Very high	2 Å²	2	75.1 Å²	75.1	1%	0.01	39%	0.389	C	S	.	.			trans	-140.5	122.4	-173.1	-176.6	66.7	0	0	0	111.8	T83 I94 I98 H103 C105 E110 Q116 L117	T83-L112 HydrophobicContact CG2-CD1 3.81Å; T83-L112 HydrophobicContact CG2-CD2 3.56Å; T83-L112 HydrophobicContact CG2-CG 4.36Å; I94-L112 HydrophobicContact CD1-CD2 3.82Å; I94-L112 HydrophobicContact CG1-CD2 3.99Å; I98-L112 HydrophobicContact CD1-CD2 3.93Å; I98-L112 HydrophobicContact CD1-CG 3.93Å; I98-L112 HydrophobicContact CG1-CD2 4.21Å; I98-L112 HydrophobicContact CG1-CG 4.4Å; H103-L112 CarbonylContact C-O 3.17Å; H103-L112 WeakPolarHBondContact CA-O 3.45Å; H103-L112 WeakPolarHBondContact CB-O 3.46Å; H103-L112 PolarHBondContact O-N 3.29Å; C105-L112 HydrophobicContact CB-CB 4.42Å; C105-L112 HydrophobicContact CB-CD2 4.07Å; E110-L112 PolarHBondContact O-N 3.07Å; L112-Q116 HydrophobicContact CD1-CB 4.49Å; L112-L117 HydrophobicContact CD1-CD2 4.14Å; L112-L117 HydrophobicContact CD2-CD2 4.25Å; L112-L117 HydrophobicContact CG-CD2 4.49Å
113	L	93.8	Very high	93.3	Very high	62 Å²	62	73.6 Å²	73.6	33%	0.325	37%	0.374	S	S	.	.			trans	-107.9	150.1	173.8	-57.1	174.3	0	0	0	110.5	H103 N115 Q116	H103-L113 HydrophobicContact CB-CD2 3.95Å; H103-L113 WeakPolarHBondContact ND1-CD2 3.16Å; L113-N115 WeakPolarHBondContact CB-OD1 3.43Å; L113-N115 PolarHBondContact O-N 3.39Å; L113-Q116 HydrophobicContact CB-CG 4.17Å; L113-Q116 WeakPolarHBondContact O-CB 3.33Å; L113-Q116 PolarHBondContact O-N 3.48Å
114	E	93.1	Very high	93.5	Very high	104 Å²	104	70.7 Å²	70.7	49%	0.486	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-59.4	-33.6	-177.8	-178	168.5	178.1	0	0	112.8	V95 I98 Q116 L117	V95-E114 WeakPolarHBondContact CG1-OE1 3.36Å; V95-E114 HydrophobicContact CG2-CG 4.08Å; V95-E114 WeakPolarHBondContact CG2-OE1 3.39Å; I98-E114 HydrophobicContact CD1-CB 4.48Å; E114-Q116 PolarHBondContact O-N 3.27Å; E114-L117 HydrophobicContact CG-CD1 4.37Å; E114-L117 WeakPolarHBondContact O-CB 3.39Å; E114-L117 WeakPolarHBondContact O-CG 3.49Å; E114-L117 PolarHBondContact O-N 2.84Å
115	N	94.3	Very high	93.8	Very high	139 Å²	139	75 Å²	75	74%	0.743	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-74.4	-2.9	176.8	71.3	-34.7	0	0	0	114.7	L113	L113-N115 WeakPolarHBondContact CB-OD1 3.43Å; L113-N115 PolarHBondContact O-N 3.39Å
116	Q	93.6	Very high	94	Very high	76 Å²	76	78 Å²	78	36%	0.355	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-98.8	-4	175.4	-62	172.1	-41.8	0	0	112.8	P84 L112 L113 E114	P84-Q116 HydrophobicContact CG-CB 3.87Å; L112-Q116 HydrophobicContact CD1-CB 4.49Å; L113-Q116 HydrophobicContact CB-CG 4.17Å; L113-Q116 WeakPolarHBondContact O-CB 3.33Å; L113-Q116 PolarHBondContact O-N 3.48Å; E114-Q116 PolarHBondContact O-N 3.27Å
117	L	96	Very high	94.4	Very high	29 Å²	29	75.4 Å²	75.4	15%	0.152	37%	0.371	C	S	.	.			trans	-75.6	124.4	177.3	-61.5	173.9	0	0	0	110.5	T83 I94 V95 I98 L112 E114	T83-L117 HydrophobicContact CG2-CD2 3.96Å; I94-L117 HydrophobicContact CG1-CD1 4.5Å; I94-L117 HydrophobicContact CG1-CD2 3.98Å; I94-L117 HydrophobicContact CG2-CD1 3.72Å; I94-L117 HydrophobicContact CG2-CD2 4.07Å; V95-L117 HydrophobicContact CG2-CD1 4.09Å; I98-L117 HydrophobicContact CD1-CD1 4.06Å; I98-L117 HydrophobicContact CD1-CD2 4.49Å; I98-L117 HydrophobicContact CD1-CG 4.45Å; L112-L117 HydrophobicContact CD1-CD2 4.14Å; L112-L117 HydrophobicContact CD2-CD2 4.25Å; L112-L117 HydrophobicContact CG-CD2 4.49Å; E114-L117 HydrophobicContact CG-CD1 4.37Å; E114-L117 WeakPolarHBondContact O-CB 3.39Å; E114-L117 WeakPolarHBondContact O-CG 3.49Å; E114-L117 PolarHBondContact O-N 2.84Å
118	F	95.9	Very high	94.8	Very high	89 Å²	89	74.4 Å²	74.4	39%	0.39	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	134.1	174.8	56.2	-86.7	0	0	0	111.7	V81 Q82 T83 D120	V81-F118 CarbonylContact C-O 3.52Å; V81-F118 VanDerWaalsContact CA-O 3.29Å; V81-F118 WeakPolarHBondContact CA-O 3.43Å; Q82-F118 HydrophobicContact CB-CD2 4.04Å; Q82-F118 HydrophobicContact CB-CE1 4.27Å; Q82-F118 HydrophobicContact CB-CE2 3.53Å; Q82-F118 HydrophobicContact CB-CZ 3.67Å; Q82-F118 VanDerWaalsContact CD-CZ 3.49Å; Q82-F118 HydrophobicContact CG-CE1 4.21Å; Q82-F118 HydrophobicContact CG-CE2 3.76Å; Q82-F118 HydrophobicContact CG-CZ 3.47Å; Q82-F118 VanDerWaalsContact CG-CZ 3.47Å; Q82-F118 PolarHBondContact N-O 2.79Å; Q82-F118 WeakPolarHBondContact O-CD1 3.43Å; Q82-F118 WeakPolarHBondContact O-CE1 3.39Å; Q82-F118 PolarHBondContact O-N 2.71Å; Q82-F118 VanDerWaalsContact O-N 3.09Å; T83-F118 WeakPolarHBondContact O-CE1 3.27Å; F118-D120 PolarHBondContact O-N 2.89Å
119	P	97.4	Very high	95.1	Very high	84 Å²	84	74 Å²	74	55%	0.545	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	117	175.2	-23.3	34.6	0	0	0	112.3	N121	P119-N121 PolarHBondContact O-N 3.04Å
120	D	97.6	Very high	95.5	Very high	13 Å²	13	71.5 Å²	71.5	7%	0.07	35%	0.352	C	S	.	.			trans	-81.4	76.3	173.1	-169.6	-15.2	0	0	0	109.4	A80 Q82 R88 F118 F122 A123 K124	A80-D120 HydrophobicContact CB-CB 4.27Å; A80-D120 PolarHBondContact O-N 2.76Å; Q82-D120 HydrophobicContact CB-CB 4.35Å; R88-D120 IonicContact CZ-OD2 2.73Å; R88-D120 IonicContact NE-OD2 3.87Å; R88-D120 PolarHBondContact NE-OD2 3.34Å; R88-D120 IonicContact NH2-OD2 2.74Å; R88-D120 PolarHBondContact NH2-OD2 3.17Å; F118-D120 PolarHBondContact O-N 2.89Å; D120-F122 PolarHBondContact O-N 3.14Å; D120-F122 WeakPolarHBondContact OD1-CB 3.21Å; D120-F122 PolarHBondContact OD1-N 3.44Å; D120-F122 VanDerWaalsContact OD1-N 3.16Å; D120-A123 HydrophobicContact CB-CB 4.22Å; D120-A123 VanDerWaalsContact CG-CB 3.45Å; D120-A123 PolarHBondContact O-N 2.66Å; D120-A123 PolarHBondContact OD1-N 2.98Å; D120-A123 WeakPolarHBondContact OD2-CB 3.27Å; D120-K124 WeakPolarHBondContact O-CB 3.41Å; D120-K124 PolarHBondContact O-N 2.82Å
121	N	96.2	Very high	95.9	Very high	103 Å²	103	69.4 Å²	69.4	55%	0.551	34%	0.343	S	S	*	.	H	α-helix	trans	-65.3	-12.7	176.6	-70.9	-59.1	0	0	0	113.3	P119 R125	P119-N121 PolarHBondContact O-N 3.04Å; N121-R125 WeakPolarHBondContact O-CB 3.49Å; N121-R125 PolarHBondContact O-N 3.08Å
122	F	96.8	Very high	96.1	Very high	127 Å²	127	63 Å²	63	56%	0.557	31%	0.31	S	S	*	.	H	α-helix	trans	-78.6	-57.5	173.2	-176.2	-90.9	0	0	0	109.4	D120 K124 R125 E126	D120-F122 PolarHBondContact O-N 3.14Å; D120-F122 WeakPolarHBondContact OD1-CB 3.21Å; D120-F122 PolarHBondContact OD1-N 3.44Å; D120-F122 VanDerWaalsContact OD1-N 3.16Å; F122-K124 VanDerWaalsContact C-N 3.31Å; F122-K124 PolarHBondContact O-N 3.39Å; F122-R125 WeakPolarHBondContact O-CA 3.38Å; F122-R125 WeakPolarHBondContact O-CB 3.42Å; F122-R125 PolarHBondContact O-N 2.8Å; F122-E126 HydrophobicContact CD1-CG 4.42Å; F122-E126 WeakPolarHBondContact CD1-OE2 3.29Å; F122-E126 HydrophobicContact CE1-CG 4.15Å; F122-E126 VanDerWaalsContact CE1-OE1 3.3Å; F122-E126 WeakPolarHBondContact CE1-OE1 3.45Å; F122-E126 WeakPolarHBondContact CE1-OE2 3.4Å; F122-E126 PolarHBondContact O-N 3.45Å
123	A	95.2	Very high	96.1	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-59.5	-39.4	175.5	0	0	0	0	0	112.4	A80 D120 R125 E126 I127	A80-A123 HydrophobicContact CB-CB 4.23Å; D120-A123 HydrophobicContact CB-CB 4.22Å; D120-A123 VanDerWaalsContact CG-CB 3.45Å; D120-A123 PolarHBondContact O-N 2.66Å; D120-A123 PolarHBondContact OD1-N 2.98Å; D120-A123 WeakPolarHBondContact OD2-CB 3.27Å; A123-R125 PolarHBondContact O-N 2.65Å; A123-E126 PolarHBondContact O-N 2.7Å; A123-I127 WeakPolarHBondContact O-CB 3.34Å; A123-I127 VanDerWaalsContact O-CG1 3.24Å; A123-I127 WeakPolarHBondContact O-CG1 3.36Å; A123-I127 PolarHBondContact O-N 3.24Å
124	K	96.2	Very high	96.1	Very high	59 Å²	59	64.7 Å²	64.7	26%	0.257	31%	0.313	S	S	.	.	H	α-helix	trans	-57.2	-37.2	174	-175.5	172.6	-179.5	173.7	0	111.7	E79 A80 D120 F122 L128	E79-K124 IonicContact OE1-NZ 2.9Å; E79-K124 PolarHBondContact OE1-NZ 2.96Å; A80-K124 HydrophobicContact CB-CB 4.36Å; D120-K124 WeakPolarHBondContact O-CB 3.41Å; D120-K124 PolarHBondContact O-N 2.82Å; F122-K124 VanDerWaalsContact C-N 3.31Å; F122-K124 PolarHBondContact O-N 3.39Å; K124-L128 HydrophobicContact CG-CD1 3.99Å; K124-L128 WeakPolarHBondContact O-CB 3.31Å; K124-L128 WeakPolarHBondContact O-CD1 3.27Å; K124-L128 VanDerWaalsContact O-CG 3.24Å; K124-L128 WeakPolarHBondContact O-CG 3.49Å; K124-L128 PolarHBondContact O-N 2.95Å
125	R	96.6	Very high	96	Very high	168 Å²	168	63.6 Å²	63.6	63%	0.634	32%	0.315	S	S	*	.	H	α-helix	trans	-73.8	-43.2	178.6	-172.3	-172.7	-59	163.5	2.9	112.1	N121 F122 A123 L128 S129	N121-R125 WeakPolarHBondContact O-CB 3.49Å; N121-R125 PolarHBondContact O-N 3.08Å; F122-R125 WeakPolarHBondContact O-CA 3.38Å; F122-R125 WeakPolarHBondContact O-CB 3.42Å; F122-R125 PolarHBondContact O-N 2.8Å; A123-R125 PolarHBondContact O-N 2.65Å; R125-L128 PolarHBondContact O-N 2.97Å; R125-S129 PolarHBondContact O-N 2.93Å
126	E	97.6	Very high	95.9	Very high	64 Å²	64	58.5 Å²	58.5	30%	0.299	29%	0.288	S	S	.	.	H	α-helix	trans	-60.9	-49.4	176.8	-66.6	-179.5	122.7	0	0	110.8	Y68 F122 A123 L128 S129 L130	Y68-E126 HydrophobicContact CE1-CB 3.89Å; Y68-E126 WeakPolarHBondContact CE1-OE2 3.43Å; Y68-E126 VanDerWaalsContact OH-CD 3.26Å; Y68-E126 PolarHBondContact OH-OE1 3.18Å; Y68-E126 PolarHBondContact OH-OE2 3.49Å; F122-E126 HydrophobicContact CD1-CG 4.42Å; F122-E126 WeakPolarHBondContact CD1-OE2 3.29Å; F122-E126 HydrophobicContact CE1-CG 4.15Å; F122-E126 VanDerWaalsContact CE1-OE1 3.3Å; F122-E126 WeakPolarHBondContact CE1-OE1 3.45Å; F122-E126 WeakPolarHBondContact CE1-OE2 3.4Å; F122-E126 PolarHBondContact O-N 3.45Å; A123-E126 PolarHBondContact O-N 2.7Å; E126-L128 VanDerWaalsContact C-N 3.34Å; E126-L128 PolarHBondContact O-N 3.33Å; E126-S129 CarbonylContact O-C 3.1Å; E126-S129 WeakPolarHBondContact O-CA 3.24Å; E126-S129 PolarHBondContact O-N 2.78Å; E126-L130 PolarHBondContact O-N 3.09Å; E126-L130 VanDerWaalsContact O-N 3.16Å
127	I	97.1	Very high	95.5	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-59.6	-42.5	179.4	-69.7	169.6	0	0	0	111.9	Y56 Y68 A76 L77 A123 S129 L130 L145	Y56-I127 HydrophobicContact CD2-CG2 4.11Å; Y56-I127 HydrophobicContact CE2-CG2 4.13Å; Y68-I127 HydrophobicContact CD1-CD1 3.92Å; Y68-I127 HydrophobicContact CD1-CG1 3.65Å; Y68-I127 HydrophobicContact CD2-CG1 4.49Å; Y68-I127 HydrophobicContact CE1-CG1 4.34Å; Y68-I127 HydrophobicContact CG-CD1 4.13Å; Y68-I127 HydrophobicContact CG-CG1 3.75Å; A76-I127 HydrophobicContact CB-CG2 4.22Å; L77-I127 HydrophobicContact CB-CD1 3.66Å; L77-I127 HydrophobicContact CD1-CD1 4.02Å; L77-I127 HydrophobicContact CG-CD1 4.28Å; A123-I127 WeakPolarHBondContact O-CB 3.34Å; A123-I127 VanDerWaalsContact O-CG1 3.24Å; A123-I127 WeakPolarHBondContact O-CG1 3.36Å; A123-I127 PolarHBondContact O-N 3.24Å; I127-S129 PolarHBondContact O-N 3.03Å; I127-L130 HydrophobicContact CG1-CD1 4.5Å; I127-L130 WeakPolarHBondContact O-CB 3.19Å; I127-L130 PolarHBondContact O-N 3.2Å; I127-L130 VanDerWaalsContact O-N 3.15Å; I127-L145 HydrophobicContact CG2-CD2 3.99Å
128	L	96.7	Very high	95.1	Very high	39 Å²	39	65 Å²	65	20%	0.204	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-9.5	177.2	-76.3	171.5	0	0	0	114.1	K124 R125 E126 L145 R146	K124-L128 HydrophobicContact CG-CD1 3.99Å; K124-L128 WeakPolarHBondContact O-CB 3.31Å; K124-L128 WeakPolarHBondContact O-CD1 3.27Å; K124-L128 VanDerWaalsContact O-CG 3.24Å; K124-L128 WeakPolarHBondContact O-CG 3.49Å; K124-L128 PolarHBondContact O-N 2.95Å; R125-L128 PolarHBondContact O-N 2.97Å; E126-L128 VanDerWaalsContact C-N 3.34Å; E126-L128 PolarHBondContact O-N 3.33Å; L128-L145 HydrophobicContact CD2-CG 4.3Å; L128-R146 HydrophobicContact CB-CB 4.28Å; L128-R146 HydrophobicContact CD2-CB 4.34Å; L128-R146 WeakPolarHBondContact O-CB 3.4Å; L128-R146 WeakPolarHBondContact O-CG 3.45Å; L128-R146 PolarHBondContact O-N 3.27Å; L128-R146 PolarHBondContact O-NE 3.21Å
129	S	97.6	Very high	95	Very high	50 Å²	50	61.8 Å²	61.8	35%	0.35	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.7	6.4	171.5	-74.2	0	0	0	0	114.2	R125 E126 I127 E144 R146	R125-S129 PolarHBondContact O-N 2.93Å; E126-S129 CarbonylContact O-C 3.1Å; E126-S129 WeakPolarHBondContact O-CA 3.24Å; E126-S129 PolarHBondContact O-N 2.78Å; I127-S129 PolarHBondContact O-N 3.03Å; S129-E144 VanDerWaalsContact CA-OE2 3.26Å; S129-E144 WeakPolarHBondContact CA-OE2 3.41Å; S129-E144 WeakPolarHBondContact CB-OE2 3.38Å; S129-E144 PolarHBondContact OG-OE2 3.46Å; S129-R146 PolarHBondContact OG-NE 3.2Å; S129-R146 PolarHBondContact OG-NH2 2.9Å
130	L	97.3	Very high	94.7	Very high	41 Å²	41	63.1 Å²	63.1	22%	0.215	33%	0.329	C	S	.	.	S	Bend	trans	-70.5	142.8	166.7	-63.9	176.9	0	0	0	110.1	F60 L64 Y68 E126 I127 E144 L145	F60-L130 HydrophobicContact CD1-CB 3.76Å; F60-L130 HydrophobicContact CD1-CD1 4Å; F60-L130 HydrophobicContact CE1-CB 3.83Å; F60-L130 HydrophobicContact CE1-CD1 3.89Å; L64-L130 HydrophobicContact CD1-CD1 3.66Å; Y68-L130 HydrophobicContact CD2-CD1 3.85Å; Y68-L130 HydrophobicContact CE2-CD1 4.19Å; Y68-L130 HydrophobicContact CE2-CD2 4.22Å; E126-L130 PolarHBondContact O-N 3.09Å; E126-L130 VanDerWaalsContact O-N 3.16Å; I127-L130 HydrophobicContact CG1-CD1 4.5Å; I127-L130 WeakPolarHBondContact O-CB 3.19Å; I127-L130 PolarHBondContact O-N 3.2Å; I127-L130 VanDerWaalsContact O-N 3.15Å; L130-E144 WeakPolarHBondContact O-CA 3.26Å; L130-L145 PolarHBondContact O-N 3.36Å
131	M	97.6	Very high	94.5	Very high	73 Å²	73	67.2 Å²	67.2	36%	0.36	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	133	177.7	-68.7	-64.1	-66.2	0	0	110.8	F60 D61 K142 M143 E144	F60-M131 WeakPolarHBondContact CA-O 3.45Å; D61-M131 PolarHBondContact N-O 2.88Å; D61-M131 VanDerWaalsContact O-CB 3.26Å; D61-M131 WeakPolarHBondContact O-CB 3.46Å; M131-K142 HydrophobicContact CE-CB 3.81Å; M131-M143 CarbonylContact C-O 3.48Å; M131-M143 WeakPolarHBondContact CA-O 3.36Å; M131-M143 VanDerWaalsContact SD-C 3.52Å; M131-E144 HydrophobicContact SD-CG 4.29Å
132	V	97	Very high	94.5	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	153.2	179.2	-64.4	0	0	0	0	111.3	V58 E59 F60 K142 M143 L145 L148	V58-V132 HydrophobicContact CB-CG1 4.43Å; V58-V132 HydrophobicContact CG2-CG1 3.8Å; E59-V132 CarbonylContact O-C 3.58Å; E59-V132 VanDerWaalsContact O-CA 3.28Å; E59-V132 WeakPolarHBondContact O-CA 3.16Å; F60-V132 HydrophobicContact CD1-CG1 3.43Å; F60-V132 VanDerWaalsContact CD1-CG1 3.43Å; F60-V132 HydrophobicContact CE1-CG1 3.57Å; F60-V132 HydrophobicContact CG-CG1 3.99Å; F60-V132 HydrophobicContact CZ-CG1 4.23Å; V132-K142 VanDerWaalsContact O-CA 3.28Å; V132-K142 WeakPolarHBondContact O-CA 3.43Å; V132-M143 HydrophobicContact CG2-CG 4.44Å; V132-M143 WeakPolarHBondContact CG2-O 3.35Å; V132-M143 PolarHBondContact N-O 3.3Å; V132-M143 PolarHBondContact O-N 3.08Å; V132-M143 VanDerWaalsContact O-N 3.09Å; V132-L145 HydrophobicContact CG1-CB 4.14Å; V132-L145 HydrophobicContact CG1-CD1 4.28Å; V132-L145 HydrophobicContact CG2-CB 4.27Å; V132-L145 HydrophobicContact CG2-CD1 4.29Å; V132-L148 HydrophobicContact CG2-CB 4.35Å; V132-L148 HydrophobicContact CG2-CD1 4.45Å; V132-L148 HydrophobicContact CG2-CD2 4.19Å
133	R	94.4	Very high	94.5	Very high	90 Å²	90	62.4 Å²	62.4	34%	0.34	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	145.1	171	-59.3	-159.8	-80.5	-117	8.1	110.5	E59 D61 K142	E59-R133 PolarHBondContact O-N 2.84Å; E59-R133 IonicContact OE1-CZ 3.13Å; E59-R133 IonicContact OE1-NE 2.66Å; E59-R133 IonicContact OE1-NH2 2.74Å; E59-R133 PolarHBondContact OE1-NH2 3.36Å; E59-R133 IonicContact OE2-CZ 2.76Å; E59-R133 VanDerWaalsContact OE2-CZ 3.32Å; E59-R133 IonicContact OE2-NE 2.71Å; E59-R133 PolarHBondContact OE2-NE 2.86Å; E59-R133 IonicContact OE2-NH2 2.64Å; E59-R133 PolarHBondContact OE2-NH2 2.9Å; E59-R133 VanDerWaalsContact OE2-NH2 3.12Å; D61-R133 HydrophobicContact CB-CG 3.88Å; D61-R133 IonicContact OD1-NH1 2.89Å; D61-R133 WeakPolarHBondContact OD2-CD 3.44Å; D61-R133 IonicContact OD2-CZ 2.62Å; D61-R133 IonicContact OD2-NE 2.64Å; D61-R133 IonicContact OD2-NH1 3.98Å; D61-R133 PolarHBondContact OD2-NH1 3.47Å; R133-K142 HydrophobicContact CG-CG 4.3Å
134	C	93.9	Very high	94.6	Very high	10 Å²	10	65.3 Å²	65.3	7%	0.068	34%	0.337	C	S	.	.			trans	-65.9	131	173.5	-178.4	0	0	0	0	110.9	N136 C139 M141 H151	C134-N136 PolarHBondContact O-N 3.25Å; C134-C139 HydrophobicContact CB-CB 3.92Å; C134-M141 PolarHBondContact N-O 3.34Å; C134-M141 VanDerWaalsContact N-O 3.13Å; C134-H151 PolarHBondContact SG-CD2 2.97Å; C134-H151 PolarHBondContact SG-NE2 3.47Å
135	P	91.8	Very high	94.7	Very high	82 Å²	82	63 Å²	63	53%	0.532	33%	0.327	S	S	.	.			trans	-74.9	-9.4	-178.2	30.3	-36.1	0	0	0	114.1	K137	P135-K137 PolarHBondContact O-N 2.62Å
136	N	91	Very high	94.7	Very high	32 Å²	32	60.2 Å²	60.2	17%	0.171	32%	0.317	C	S	.	.	S	Bend	trans	-72.2	119.8	179.9	-69.9	-32.7	0	0	0	110.9	C134 G138 C139 C155 F157	C134-N136 PolarHBondContact O-N 3.25Å; N136-G138 PolarHBondContact O-N 3.29Å; N136-C139 HydrophobicContact CB-CB 4.3Å; N136-C139 VanDerWaalsContact O-CB 3.26Å; N136-C139 WeakPolarHBondContact O-CB 3.47Å; N136-C139 PolarHBondContact O-N 3.43Å; N136-C155 PolarHBondContact ND2-SG 3.48Å; N136-C155 VanDerWaalsContact ND2-SG 3.36Å; N136-F157 HydrophobicContact CB-CB 3.97Å
137	K	86	Confident	94.6	Very high	183 Å²	183	61.2 Å²	61.2	80%	0.796	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	122.1	-176.4	-67.1	-178.7	-178.8	175.8	0	111.8	P135 Q170	P135-K137 PolarHBondContact O-N 2.62Å; K137-Q170 PolarHBondContact O-NE2 3.46Å
138	G	87.7	Confident	94.5	Very high	59 Å²	59	61.6 Å²	61.6	61%	0.608	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.3	-16.8	-177.1	0	0	0	0	0	114.2	N136 C140	N136-G138 PolarHBondContact O-N 3.29Å; G138-C140 PolarHBondContact O-N 3.04Å
139	C	92.9	Very high	94.3	Very high	20 Å²	20	66.9 Å²	66.9	14%	0.135	35%	0.347	C	S	.	.			trans	-75	122.9	173.6	-164.1	0	0	0	0	110.9	C134 N136 H151 F157	C134-C139 HydrophobicContact CB-CB 3.92Å; N136-C139 HydrophobicContact CB-CB 4.3Å; N136-C139 VanDerWaalsContact O-CB 3.26Å; N136-C139 WeakPolarHBondContact O-CB 3.47Å; N136-C139 PolarHBondContact O-N 3.43Å; C139-H151 PolarHBondContact SG-NE2 2.87Å; C139-F157 HydrophobicContact CB-CB 4.07Å; C139-F157 HydrophobicContact CB-CD2 3.73Å; C139-F157 HydrophobicContact CB-CG 4.08Å
140	C	92.1	Very high	94.1	Very high	113 Å²	113	69 Å²	69	76%	0.764	35%	0.354	S	S	*	.			trans	-94	1.3	176.9	58.8	0	0	0	0	113.9	G138	G138-C140 PolarHBondContact O-N 3.04Å
141	M	93.8	Very high	94	Very high	98 Å²	98	68.8 Å²	68.8	48%	0.483	35%	0.352	S	S	.	.			trans	-69	134.4	-173.3	-67.6	-60.4	-65.6	0	0	112.3	C134 M143	C134-M141 PolarHBondContact N-O 3.34Å; C134-M141 VanDerWaalsContact N-O 3.13Å; M141-M143 HydrophobicContact CB-CE 3.62Å
142	K	95.7	Very high	93.7	Very high	107 Å²	107	69.1 Å²	69.1	47%	0.465	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	142.8	167.6	-45.1	-167.7	-168	-175.5	0	109.7	D61 M131 V132 R133	D61-K142 IonicContact OD1-NZ 2.88Å; D61-K142 WeakPolarHBondContact OD2-CD 3.43Å; D61-K142 WeakPolarHBondContact OD2-CE 3.47Å; D61-K142 IonicContact OD2-NZ 3.57Å; D61-K142 PolarHBondContact OD2-NZ 3.18Å; M131-K142 HydrophobicContact CE-CB 3.81Å; V132-K142 VanDerWaalsContact O-CA 3.28Å; V132-K142 WeakPolarHBondContact O-CA 3.43Å; R133-K142 HydrophobicContact CG-CG 4.3Å
143	M	96.1	Very high	93.3	Very high	22 Å²	22	75.4 Å²	75.4	11%	0.108	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	165	179.2	61.9	-146.5	72.5	0	0	111.1	M131 V132 M141 H147 L148 H151	M131-M143 CarbonylContact C-O 3.48Å; M131-M143 WeakPolarHBondContact CA-O 3.36Å; M131-M143 VanDerWaalsContact SD-C 3.52Å; V132-M143 HydrophobicContact CG2-CG 4.44Å; V132-M143 WeakPolarHBondContact CG2-O 3.35Å; V132-M143 PolarHBondContact N-O 3.3Å; V132-M143 PolarHBondContact O-N 3.08Å; V132-M143 VanDerWaalsContact O-N 3.09Å; M141-M143 HydrophobicContact CB-CE 3.62Å; M143-H147 HydrophobicContact CG-CB 4.46Å; M143-L148 HydrophobicContact SD-CD1 4.19Å; M143-H151 HydrophobicContact CE-CB 4.09Å; M143-H151 HydrophobicContact SD-CB 3.41Å; M143-H151 WeakPolarHBondContact SD-CB 3.42Å
144	E	98	Very high	93.2	Very high	61 Å²	61	77.8 Å²	77.8	29%	0.285	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	138.8	164.4	-68.1	-178.2	-121.5	0	0	110.3	S129 L130 M131 R146 H147	S129-E144 VanDerWaalsContact CA-OE2 3.26Å; S129-E144 WeakPolarHBondContact CA-OE2 3.41Å; S129-E144 WeakPolarHBondContact CB-OE2 3.38Å; S129-E144 PolarHBondContact OG-OE2 3.46Å; L130-E144 WeakPolarHBondContact O-CA 3.26Å; M131-E144 HydrophobicContact SD-CG 4.29Å; E144-R146 HydrophobicContact CB-CG 3.83Å; E144-R146 PolarHBondContact O-N 3.08Å; E144-R146 WeakPolarHBondContact OE2-CD 3.36Å; E144-R146 IonicContact OE2-CZ 3.89Å; E144-R146 IonicContact OE2-NE 3.95Å; E144-R146 PolarHBondContact OE2-NE 3.48Å; E144-R146 IonicContact OE2-NH2 2.74Å; E144-H147 PolarHBondContact O-N 3.09Å
145	L	96.9	Very high	93.2	Very high	11 Å²	11	77.5 Å²	77.5	6%	0.058	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-49.8	-35.5	-178.9	175.9	57	0	0	0	114	Y56 V58 F60 I127 L128 L130 V132 H147 L148	Y56-L145 HydrophobicContact CD1-CD1 4.2Å; Y56-L145 HydrophobicContact CD1-CD2 4.03Å; Y56-L145 HydrophobicContact CD1-CG 4.43Å; Y56-L145 HydrophobicContact CD2-CD2 3.85Å; Y56-L145 HydrophobicContact CE1-CD2 4.36Å; Y56-L145 HydrophobicContact CE2-CD2 4.18Å; Y56-L145 HydrophobicContact CG-CD2 3.77Å; V58-L145 HydrophobicContact CG1-CD1 4.31Å; V58-L145 HydrophobicContact CG2-CD1 4.02Å; F60-L145 HydrophobicContact CE1-CD2 4.02Å; F60-L145 HydrophobicContact CZ-CD2 3.97Å; I127-L145 HydrophobicContact CG2-CD2 3.99Å; L128-L145 HydrophobicContact CD2-CG 4.3Å; L130-L145 PolarHBondContact O-N 3.36Å; V132-L145 HydrophobicContact CG1-CB 4.14Å; V132-L145 HydrophobicContact CG1-CD1 4.28Å; V132-L145 HydrophobicContact CG2-CB 4.27Å; V132-L145 HydrophobicContact CG2-CD1 4.29Å; L145-H147 PolarHBondContact O-N 2.82Å; L145-H147 VanDerWaalsContact O-N 3.13Å; L145-L148 HydrophobicContact CD1-CB 4.44Å; L145-L148 HydrophobicContact CD1-CD2 4.11Å; L145-L148 WeakPolarHBondContact O-CB 3.45Å; L145-L148 PolarHBondContact O-N 3.02Å; L145-L148 VanDerWaalsContact O-N 3.15Å
146	R	96.5	Very high	93.2	Very high	109 Å²	109	78.2 Å²	78.2	41%	0.411	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-55.5	-25.1	175.1	64.1	177.5	69.5	-148.2	3.1	115.3	L128 S129 E144	L128-R146 HydrophobicContact CB-CB 4.28Å; L128-R146 HydrophobicContact CD2-CB 4.34Å; L128-R146 WeakPolarHBondContact O-CB 3.4Å; L128-R146 WeakPolarHBondContact O-CG 3.45Å; L128-R146 PolarHBondContact O-N 3.27Å; L128-R146 PolarHBondContact O-NE 3.21Å; S129-R146 PolarHBondContact OG-NE 3.2Å; S129-R146 PolarHBondContact OG-NH2 2.9Å; E144-R146 HydrophobicContact CB-CG 3.83Å; E144-R146 PolarHBondContact O-N 3.08Å; E144-R146 WeakPolarHBondContact OE2-CD 3.36Å; E144-R146 IonicContact OE2-CZ 3.89Å; E144-R146 IonicContact OE2-NE 3.95Å; E144-R146 PolarHBondContact OE2-NE 3.48Å; E144-R146 IonicContact OE2-NH2 2.74Å
147	H	96.3	Very high	93.3	Very high	85 Å²	85	79.8 Å²	79.8	39%	0.394	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-101.8	-1.1	-177.2	-52.8	123.8	0	0	0	112.8	M143 E144 L145 E149 H151	M143-H147 HydrophobicContact CG-CB 4.46Å; E144-H147 PolarHBondContact O-N 3.09Å; L145-H147 PolarHBondContact O-N 2.82Å; L145-H147 VanDerWaalsContact O-N 3.13Å; H147-E149 VanDerWaalsContact C-N 3.33Å; H147-E149 PolarHBondContact O-N 3.01Å; H147-H151 WeakPolarHBondContact O-CB 3.33Å; H147-H151 PolarHBondContact O-N 2.89Å
148	L	94.7	Very high	93.6	Very high	8 Å²	8	71.8 Å²	71.8	4%	0.042	37%	0.371	C	S	.	.	H	α-helix	trans	-64.4	-38	-175.6	-178.6	63.5	0	0	0	112.1	V58 V132 M143 L145 H151 Q152	V58-L148 HydrophobicContact CB-CD2 4.36Å; V58-L148 HydrophobicContact CG1-CD2 3.61Å; V132-L148 HydrophobicContact CG2-CB 4.35Å; V132-L148 HydrophobicContact CG2-CD1 4.45Å; V132-L148 HydrophobicContact CG2-CD2 4.19Å; M143-L148 HydrophobicContact SD-CD1 4.19Å; L145-L148 HydrophobicContact CD1-CB 4.44Å; L145-L148 HydrophobicContact CD1-CD2 4.11Å; L145-L148 WeakPolarHBondContact O-CB 3.45Å; L145-L148 PolarHBondContact O-N 3.02Å; L145-L148 VanDerWaalsContact O-N 3.15Å; L148-H151 PolarHBondContact O-N 3.35Å; L148-Q152 HydrophobicContact CD1-CG 4.34Å; L148-Q152 HydrophobicContact CG-CG 4.38Å; L148-Q152 WeakPolarHBondContact O-CB 3.49Å; L148-Q152 VanDerWaalsContact O-CG 3.29Å; L148-Q152 WeakPolarHBondContact O-CG 3.41Å; L148-Q152 PolarHBondContact O-N 3.39Å
149	E	92.4	Very high	93.8	Very high	150 Å²	150	73.6 Å²	73.6	70%	0.701	37%	0.37	S	S	*	.	H	α-helix	trans	-66.1	-50.8	-179.4	-168	172.4	165	0	0	111.4	H147 H151 Q152 L153	H147-E149 VanDerWaalsContact C-N 3.33Å; H147-E149 PolarHBondContact O-N 3.01Å; E149-H151 VanDerWaalsContact C-N 3.26Å; E149-H151 PolarHBondContact O-N 3.23Å; E149-Q152 PolarHBondContact O-N 3.34Å; E149-Q152 VanDerWaalsContact O-N 3.09Å; E149-L153 PolarHBondContact O-N 2.88Å
150	D	94.6	Very high	93.8	Very high	94 Å²	94	74.9 Å²	74.9	50%	0.503	38%	0.377	S	S	.	.	H	α-helix	trans	-54.9	-42	172.5	-69.1	-43.9	0	0	0	111.9
151	H	94.4	Very high	93.8	Very high	38 Å²	38	76.1 Å²	76.1	18%	0.176	37%	0.372	C	S	.	.	H	α-helix	trans	-66.6	-43	176	175.1	74.8	0	0	0	112.2	C134 C139 M143 H147 L148 E149 L153 Q154 C155	C134-H151 PolarHBondContact SG-CD2 2.97Å; C134-H151 PolarHBondContact SG-NE2 3.47Å; C139-H151 PolarHBondContact SG-NE2 2.87Å; M143-H151 HydrophobicContact CE-CB 4.09Å; M143-H151 HydrophobicContact SD-CB 3.41Å; M143-H151 WeakPolarHBondContact SD-CB 3.42Å; H147-H151 WeakPolarHBondContact O-CB 3.33Å; H147-H151 PolarHBondContact O-N 2.89Å; L148-H151 PolarHBondContact O-N 3.35Å; E149-H151 VanDerWaalsContact C-N 3.26Å; E149-H151 PolarHBondContact O-N 3.23Å; H151-L153 VanDerWaalsContact C-N 3.29Å; H151-L153 PolarHBondContact O-N 3.32Å; H151-Q154 CarbonylContact O-C 3.21Å; H151-Q154 PolarHBondContact O-N 2.98Å; H151-C155 PolarHBondContact NE2-SG 3.13Å; H151-C155 VanDerWaalsContact NE2-SG 3.37Å; H151-C155 WeakPolarHBondContact O-CA 3.37Å; H151-C155 VanDerWaalsContact O-CB 3.27Å; H151-C155 WeakPolarHBondContact O-CB 3.46Å; H151-C155 PolarHBondContact O-N 2.98Å
152	Q	91	Very high	93.8	Very high	80 Å²	80	71.5 Å²	71.5	37%	0.374	35%	0.349	S	S	.	.	H	α-helix	trans	-60.7	-37.8	-178.2	-80.4	176	-64	0	0	112.2	L148 E149 Q154	L148-Q152 HydrophobicContact CD1-CG 4.34Å; L148-Q152 HydrophobicContact CG-CG 4.38Å; L148-Q152 WeakPolarHBondContact O-CB 3.49Å; L148-Q152 VanDerWaalsContact O-CG 3.29Å; L148-Q152 WeakPolarHBondContact O-CG 3.41Å; L148-Q152 PolarHBondContact O-N 3.39Å; E149-Q152 PolarHBondContact O-N 3.34Å; E149-Q152 VanDerWaalsContact O-N 3.09Å; Q152-Q154 VanDerWaalsContact C-N 3.26Å; Q152-Q154 PolarHBondContact O-N 3.48Å
153	L	89.6	Confident	93.6	Very high	132 Å²	132	71.3 Å²	71.3	69%	0.691	36%	0.359	S	S	*	.	H	α-helix	trans	-62	-32.6	173.5	-63.3	172.3	0	0	0	112.8	E149 H151	E149-L153 PolarHBondContact O-N 2.88Å; H151-L153 VanDerWaalsContact C-N 3.29Å; H151-L153 PolarHBondContact O-N 3.32Å
154	Q	91.2	Very high	93.3	Very high	139 Å²	139	73.5 Å²	73.5	65%	0.65	37%	0.369	S	S	*	.	H	α-helix	trans	-99.7	-23.7	-173.9	-61.8	-173.3	39.2	0	0	113.6	H151 Q152 D156 K171	H151-Q154 CarbonylContact O-C 3.21Å; H151-Q154 PolarHBondContact O-N 2.98Å; Q152-Q154 VanDerWaalsContact C-N 3.26Å; Q152-Q154 PolarHBondContact O-N 3.48Å; Q154-D156 PolarHBondContact O-N 3.31Å; Q154-K171 VanDerWaalsContact C-NZ 3.34Å; Q154-K171 PolarHBondContact O-NZ 2.99Å
155	C	94.1	Very high	93	Very high	4 Å²	4	72.8 Å²	72.8	3%	0.027	37%	0.37	C	S	.	.			trans	-52.8	122.4	-170.7	-173	0	0	0	0	114.1	N136 H151 F157 S158	N136-C155 PolarHBondContact ND2-SG 3.48Å; N136-C155 VanDerWaalsContact ND2-SG 3.36Å; H151-C155 PolarHBondContact NE2-SG 3.13Å; H151-C155 VanDerWaalsContact NE2-SG 3.37Å; H151-C155 WeakPolarHBondContact O-CA 3.37Å; H151-C155 VanDerWaalsContact O-CB 3.27Å; H151-C155 WeakPolarHBondContact O-CB 3.46Å; H151-C155 PolarHBondContact O-N 2.98Å; C155-F157 PolarHBondContact O-N 3.11Å; C155-S158 VanDerWaalsContact O-CB 3.26Å; C155-S158 WeakPolarHBondContact O-CB 3.34Å; C155-S158 PolarHBondContact O-N 3.13Å; C155-S158 PolarHBondContact O-OG 3.35Å
156	D	91.8	Very high	92.8	Very high	97 Å²	97	79.7 Å²	79.7	52%	0.519	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-14.5	179.5	-62.4	-55.9	0	0	0	114.4	Q154 K171 N172	Q154-D156 PolarHBondContact O-N 3.31Å; D156-K171 WeakPolarHBondContact O-CB 3.43Å; D156-K171 PolarHBondContact O-N 3.09Å; D156-N172 HydrophobicContact CB-CB 4.22Å; D156-N172 WeakPolarHBondContact O-CB 3.47Å; D156-N172 PolarHBondContact O-N 3.46Å; D156-N172 PolarHBondContact O-OD1 3.19Å
157	F	92.8	Very high	92.4	Very high	66 Å²	66	75.7 Å²	75.7	29%	0.289	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-1.2	174.4	-62.5	-85.3	0	0	0	113.5	N136 C139 C155 Q170	N136-F157 HydrophobicContact CB-CB 3.97Å; C139-F157 HydrophobicContact CB-CB 4.07Å; C139-F157 HydrophobicContact CB-CD2 3.73Å; C139-F157 HydrophobicContact CB-CG 4.08Å; C155-F157 PolarHBondContact O-N 3.11Å; F157-Q170 PolarHBondContact O-NE2 3.41Å
158	S	92.7	Very high	92.2	Very high	15 Å²	15	75.3 Å²	75.3	11%	0.105	40%	0.401	C	S	.	.	S	Bend	trans	-62	145.7	173.1	60.1	0	0	0	0	111.2	C155 Q170 K171	C155-S158 VanDerWaalsContact O-CB 3.26Å; C155-S158 WeakPolarHBondContact O-CB 3.34Å; C155-S158 PolarHBondContact O-N 3.13Å; C155-S158 PolarHBondContact O-OG 3.35Å; S158-Q170 WeakPolarHBondContact O-CA 3.46Å; S158-K171 PolarHBondContact O-N 3.46Å
159	T	91.5	Very high	92	Very high	97 Å²	97	77.6 Å²	77.6	60%	0.595	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.2	130	174.6	-54.4	0	0	0	0	109.8	F169	T159-F169 CarbonylContact C-O 3.59Å; T159-F169 WeakPolarHBondContact CA-O 3.41Å
160	V	92.8	Very high	92	Very high	46 Å²	46	73 Å²	73	28%	0.279	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	148.1	-179.7	-70.3	0	0	0	0	109.9	F169 K171 L174	V160-F169 PolarHBondContact N-O 3.29Å; V160-F169 PolarHBondContact O-N 3.13Å; V160-K171 HydrophobicContact CG1-CB 4.42Å; V160-K171 HydrophobicContact CG2-CB 3.97Å; V160-L174 HydrophobicContact CG2-CB 4.36Å; V160-L174 HydrophobicContact CG2-CD2 3.77Å
161	E	93.8	Very high	91.8	Very high	140 Å²	140	72 Å²	72	65%	0.654	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	139.9	178.2	-66.7	177.2	179.1	0	0	111.2	G167	E161-G167 WeakPolarHBondContact CA-O 3.28Å
162	C	93	Very high	91.6	Very high	1 Å²	1	72.9 Å²	72.9	1%	0.007	39%	0.387	C	S	.	.			trans	-74.4	125.4	174.1	178.8	0	0	0	0	110.4	Q164 C165 Q166 G167 F169 L174	C162-Q164 PolarHBondContact O-N 3.32Å; C162-C165 WeakPolarHBondContact CB-SG 3.34Å; C162-C165 PolarHBondContact O-N 2.81Å; C162-C165 VanDerWaalsContact SG-SG 3.65Å; C162-Q166 VanDerWaalsContact O-CA 3.29Å; C162-Q166 WeakPolarHBondContact O-CA 3.4Å; C162-Q166 PolarHBondContact O-N 2.96Å; C162-G167 PolarHBondContact N-O 2.77Å; C162-F169 HydrophobicContact CB-CD2 4.01Å; C162-F169 HydrophobicContact CB-CE2 4Å; C162-L174 HydrophobicContact CB-CD1 3.89Å
163	P	91.9	Very high	91.5	Very high	103 Å²	103	73.3 Å²	73.3	67%	0.669	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-5	-175.5	28.6	-36.7	0	0	0	114.7	M178	P163-M178 HydrophobicContact CG-CE 3.77Å; P163-M178 HydrophobicContact CG-SD 4.21Å
164	Q	90.3	Very high	91.6	Very high	68 Å²	68	68.4 Å²	68.4	32%	0.318	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	-37.1	-178.5	-67.3	170.9	-15.5	0	0	113.3	C162 C182 R184	C162-Q164 PolarHBondContact O-N 3.32Å; Q164-C182 PolarHBondContact OE1-SG 3.48Å; Q164-C182 VanDerWaalsContact OE1-SG 3.34Å; Q164-R184 HydrophobicContact CB-CB 3.87Å; Q164-R184 WeakPolarHBondContact O-CB 3.36Å; Q164-R184 WeakPolarHBondContact O-CG 3.44Å
165	C	91.6	Very high	91.6	Very high	45 Å²	45	70 Å²	70	30%	0.304	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.1	-4.7	-175.7	71.6	0	0	0	0	114.2	C162 G167 H177 R184	C162-C165 WeakPolarHBondContact CB-SG 3.34Å; C162-C165 PolarHBondContact O-N 2.81Å; C162-C165 VanDerWaalsContact SG-SG 3.65Å; C165-G167 PolarHBondContact O-N 3.05Å; C165-H177 PolarHBondContact SG-NE2 3.48Å; C165-R184 HydrophobicContact CB-CB 4.43Å; C165-R184 HydrophobicContact CB-CG 4.24Å
166	Q	91.4	Very high	91.5	Very high	156 Å²	156	74.8 Å²	74.8	73%	0.729	39%	0.39	S	S	*	.			trans	59.5	3.9	-177.9	-60.3	175.4	-2.4	0	0	115.6	C162	C162-Q166 VanDerWaalsContact O-CA 3.29Å; C162-Q166 WeakPolarHBondContact O-CA 3.4Å; C162-Q166 PolarHBondContact O-N 2.96Å
167	G	87.9	Confident	91.5	Very high	25 Å²	25	70.7 Å²	70.7	26%	0.258	37%	0.367	S	S	.	.			trans	-64.8	145.8	170.3	0	0	0	0	0	112.2	E161 C162 C165 F169	E161-G167 WeakPolarHBondContact CA-O 3.28Å; C162-G167 PolarHBondContact N-O 2.77Å; C165-G167 PolarHBondContact O-N 3.05Å; G167-F169 VanDerWaalsContact C-CE2 3.45Å; G167-F169 WeakPolarHBondContact O-CD2 3.33Å; G167-F169 VanDerWaalsContact O-CE2 3.3Å; G167-F169 WeakPolarHBondContact O-CE2 3.48Å
168	S	92.4	Very high	91.5	Very high	77 Å²	77	70.3 Å²	70.3	54%	0.538	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	123.5	-178.4	-37.8	0	0	0	0	111.5
169	F	91.1	Very high	91.4	Very high	56 Å²	56	73.9 Å²	73.9	25%	0.246	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	161.5	-176.8	-61	-84.1	0	0	0	111.3	T159 V160 C162 G167 L174 H177	T159-F169 CarbonylContact C-O 3.59Å; T159-F169 WeakPolarHBondContact CA-O 3.41Å; V160-F169 PolarHBondContact N-O 3.29Å; V160-F169 PolarHBondContact O-N 3.13Å; C162-F169 HydrophobicContact CB-CD2 4.01Å; C162-F169 HydrophobicContact CB-CE2 4Å; G167-F169 VanDerWaalsContact C-CE2 3.45Å; G167-F169 WeakPolarHBondContact O-CD2 3.33Å; G167-F169 VanDerWaalsContact O-CE2 3.3Å; G167-F169 WeakPolarHBondContact O-CE2 3.48Å; F169-L174 HydrophobicContact CD2-CD1 4.47Å; F169-H177 HydrophobicContact CD1-CB 4.45Å; F169-H177 AromaticContact CD2-CD2 3.86Å; F169-H177 AromaticContact CE1-CE1 3.74Å; F169-H177 AromaticContact CE1-CG 3.86Å; F169-H177 AromaticContact CE1-ND1 3.5Å; F169-H177 WeakPolarHBondContact CE1-ND1 3.29Å; F169-H177 AromaticContact CE2-CD2 3.52Å; F169-H177 AromaticContact CE2-CE1 3.7Å; F169-H177 AromaticContact CE2-CG 3.94Å; F169-H177 AromaticContact CE2-NE2 3.37Å; F169-H177 WeakPolarHBondContact CE2-NE2 3.5Å; F169-H177 AromaticContact CZ-CD2 3.77Å; F169-H177 AromaticContact CZ-CE1 3.19Å; F169-H177 WeakPolarHBondContact CZ-CE1 3.29Å; F169-H177 AromaticContact CZ-CG 3.8Å; F169-H177 AromaticContact CZ-ND1 3.45Å; F169-H177 WeakPolarHBondContact CZ-ND1 3.42Å; F169-H177 AromaticContact CZ-NE2 3.4Å; F169-H177 WeakPolarHBondContact CZ-NE2 3.48Å
170	Q	91.6	Very high	91.3	Very high	55 Å²	55	75.2 Å²	75.2	26%	0.257	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	140.3	168.6	-61.7	-165.4	-80.4	0	0	110.2	K137 F157 S158 N172 H173 L174	K137-Q170 PolarHBondContact O-NE2 3.46Å; F157-Q170 PolarHBondContact O-NE2 3.41Å; S158-Q170 WeakPolarHBondContact O-CA 3.46Å; Q170-N172 WeakPolarHBondContact CB-OD1 3.49Å; Q170-N172 PolarHBondContact O-N 2.93Å; Q170-H173 PolarHBondContact O-N 3.28Å; Q170-L174 PolarHBondContact O-N 2.98Å
171	K	90.6	Very high	91.3	Very high	71 Å²	71	78.9 Å²	78.9	31%	0.309	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-32.7	-173.7	-178.7	-178.2	176.9	-173.8	0	113.7	Q154 D156 S158 V160	Q154-K171 VanDerWaalsContact C-NZ 3.34Å; Q154-K171 PolarHBondContact O-NZ 2.99Å; D156-K171 WeakPolarHBondContact O-CB 3.43Å; D156-K171 PolarHBondContact O-N 3.09Å; S158-K171 PolarHBondContact O-N 3.46Å; V160-K171 HydrophobicContact CG1-CB 4.42Å; V160-K171 HydrophobicContact CG2-CB 3.97Å
172	N	89.8	Confident	91.3	Very high	57 Å²	57	72.2 Å²	72.2	31%	0.305	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-46.4	171.5	63.8	-22.5	0	0	0	112.9	D156 Q170	D156-N172 HydrophobicContact CB-CB 4.22Å; D156-N172 WeakPolarHBondContact O-CB 3.47Å; D156-N172 PolarHBondContact O-N 3.46Å; D156-N172 PolarHBondContact O-OD1 3.19Å; Q170-N172 WeakPolarHBondContact CB-OD1 3.49Å; Q170-N172 PolarHBondContact O-N 2.93Å
173	H	90	Very high	91.3	Very high	89 Å²	89	75 Å²	75	41%	0.412	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-19	-177.5	-54.6	144.1	0	0	0	113.2	Q170 K175 E176 H177	Q170-H173 PolarHBondContact O-N 3.28Å; H173-K175 PolarHBondContact O-N 3.27Å; H173-K175 VanDerWaalsContact O-N 3.11Å; H173-E176 PolarHBondContact O-N 3.41Å; H173-H177 PolarHBondContact O-N 2.84Å
174	L	91.3	Very high	91.4	Very high	30 Å²	30	75.1 Å²	75.1	16%	0.157	38%	0.376	C	S	.	.	H	α-helix	trans	-53.8	-35.4	-178.3	179.4	64.4	0	0	0	113.2	V160 C162 F169 Q170 M178	V160-L174 HydrophobicContact CG2-CB 4.36Å; V160-L174 HydrophobicContact CG2-CD2 3.77Å; C162-L174 HydrophobicContact CB-CD1 3.89Å; F169-L174 HydrophobicContact CD2-CD1 4.47Å; Q170-L174 PolarHBondContact O-N 2.98Å; L174-M178 HydrophobicContact CD1-CG 3.92Å; L174-M178 HydrophobicContact CD1-SD 3.96Å; L174-M178 HydrophobicContact CD2-SD 4.39Å; L174-M178 HydrophobicContact CG-CG 4.31Å; L174-M178 HydrophobicContact CG-SD 3.95Å; L174-M178 WeakPolarHBondContact O-CB 3.37Å; L174-M178 VanDerWaalsContact O-CG 3.3Å; L174-M178 WeakPolarHBondContact O-CG 3.46Å; L174-M178 PolarHBondContact O-N 3.44Å
175	K	90.5	Very high	91.6	Very high	171 Å²	171	74.3 Å²	74.3	74%	0.743	37%	0.37	S	S	*	.	H	α-helix	trans	-65.5	-41.3	177.2	-69.2	-179.5	-180	174.4	0	112.6	H173 T179	H173-K175 PolarHBondContact O-N 3.27Å; H173-K175 VanDerWaalsContact O-N 3.11Å; K175-T179 WeakPolarHBondContact O-CB 3.27Å; K175-T179 WeakPolarHBondContact O-CG2 3.38Å; K175-T179 PolarHBondContact O-N 2.97Å; K175-T179 PolarHBondContact O-OG1 3.02Å
176	E	92.5	Very high	91.7	Very high	106 Å²	106	77.6 Å²	77.6	50%	0.495	38%	0.381	S	S	.	.	H	α-helix	trans	-70.8	-45.3	177.8	-176.3	161.9	-140.5	0	0	110.4	H173 M178 T179 Q180	H173-E176 PolarHBondContact O-N 3.41Å; E176-M178 PolarHBondContact O-N 3.44Å; E176-T179 PolarHBondContact O-N 3.44Å; E176-T179 PolarHBondContact O-OG1 2.68Å; E176-T179 VanDerWaalsContact O-OG1 3.12Å; E176-Q180 PolarHBondContact O-N 2.83Å
177	H	93.2	Very high	91.8	Very high	10 Å²	10	71.3 Å²	71.3	5%	0.046	35%	0.353	C	S	.	.	I	π-helix	trans	-53.5	-53.3	173	179.8	68.6	0	0	0	112.2	C165 F169 H173 T179 E181 C182	C165-H177 PolarHBondContact SG-NE2 3.48Å; F169-H177 HydrophobicContact CD1-CB 4.45Å; F169-H177 AromaticContact CD2-CD2 3.86Å; F169-H177 AromaticContact CE1-CE1 3.74Å; F169-H177 AromaticContact CE1-CG 3.86Å; F169-H177 AromaticContact CE1-ND1 3.5Å; F169-H177 WeakPolarHBondContact CE1-ND1 3.29Å; F169-H177 AromaticContact CE2-CD2 3.52Å; F169-H177 AromaticContact CE2-CE1 3.7Å; F169-H177 AromaticContact CE2-CG 3.94Å; F169-H177 AromaticContact CE2-NE2 3.37Å; F169-H177 WeakPolarHBondContact CE2-NE2 3.5Å; F169-H177 AromaticContact CZ-CD2 3.77Å; F169-H177 AromaticContact CZ-CE1 3.19Å; F169-H177 WeakPolarHBondContact CZ-CE1 3.29Å; F169-H177 AromaticContact CZ-CG 3.8Å; F169-H177 AromaticContact CZ-ND1 3.45Å; F169-H177 WeakPolarHBondContact CZ-ND1 3.42Å; F169-H177 AromaticContact CZ-NE2 3.4Å; F169-H177 WeakPolarHBondContact CZ-NE2 3.48Å; H173-H177 PolarHBondContact O-N 2.84Å; H177-T179 VanDerWaalsContact C-N 3.25Å; H177-T179 PolarHBondContact O-N 3.18Å; H177-E181 IonicContact CE1-OE2 3.84Å; H177-E181 IonicContact CG-OE2 3.17Å; H177-E181 IonicContact ND1-OE2 3.78Å; H177-E181 PolarHBondContact ND1-OE2 2.99Å; H177-E181 PolarHBondContact O-N 3.14Å; H177-C182 WeakPolarHBondContact NE2-CB 3.37Å; H177-C182 WeakPolarHBondContact O-CB 3.47Å; H177-C182 PolarHBondContact O-N 2.91Å
178	M	91.6	Very high	92.2	Very high	58 Å²	58	74 Å²	74	29%	0.286	37%	0.368	S	S	.	.	I	π-helix	trans	-65.5	-24	-178.7	-74.4	-178	72.4	0	0	114	P163 L174 E176 R185	P163-M178 HydrophobicContact CG-CE 3.77Å; P163-M178 HydrophobicContact CG-SD 4.21Å; L174-M178 HydrophobicContact CD1-CG 3.92Å; L174-M178 HydrophobicContact CD1-SD 3.96Å; L174-M178 HydrophobicContact CD2-SD 4.39Å; L174-M178 HydrophobicContact CG-CG 4.31Å; L174-M178 HydrophobicContact CG-SD 3.95Å; L174-M178 WeakPolarHBondContact O-CB 3.37Å; L174-M178 VanDerWaalsContact O-CG 3.3Å; L174-M178 WeakPolarHBondContact O-CG 3.46Å; L174-M178 PolarHBondContact O-N 3.44Å; E176-M178 PolarHBondContact O-N 3.44Å; M178-R185 WeakPolarHBondContact O-CB 3.24Å
179	T	90.3	Very high	92.3	Very high	90 Å²	90	70.5 Å²	70.5	55%	0.552	34%	0.343	S	S	*	.	I	π-helix	trans	-93.8	-34.8	-178.7	48.6	0	0	0	0	113.2	K175 E176 H177 R185	K175-T179 WeakPolarHBondContact O-CB 3.27Å; K175-T179 WeakPolarHBondContact O-CG2 3.38Å; K175-T179 PolarHBondContact O-N 2.97Å; K175-T179 PolarHBondContact O-OG1 3.02Å; E176-T179 PolarHBondContact O-N 3.44Å; E176-T179 PolarHBondContact O-OG1 2.68Å; E176-T179 VanDerWaalsContact O-OG1 3.12Å; H177-T179 VanDerWaalsContact C-N 3.25Å; H177-T179 PolarHBondContact O-N 3.18Å; T179-R185 PolarHBondContact O-NH1 2.9Å
180	Q	90.9	Very high	92.3	Very high	126 Å²	126	73 Å²	73	59%	0.589	36%	0.364	S	S	*	.	I	π-helix	trans	-115.4	-43.5	-172.4	-57	-159	66.8	0	0	114.2	E176 R185	E176-Q180 PolarHBondContact O-N 2.83Å; Q180-R185 PolarHBondContact O-NE 3.45Å
181	E	91.7	Very high	92.4	Very high	123 Å²	123	73.3 Å²	73.3	58%	0.575	37%	0.368	S	S	*	.	I	π-helix	trans	-98.6	-35.4	-165.7	-55.2	-177.7	147.5	0	0	114.9	H177 P183	H177-E181 IonicContact CE1-OE2 3.84Å; H177-E181 IonicContact CG-OE2 3.17Å; H177-E181 IonicContact ND1-OE2 3.78Å; H177-E181 PolarHBondContact ND1-OE2 2.99Å; H177-E181 PolarHBondContact O-N 3.14Å; E181-P183 VanDerWaalsContact O-CD 3.32Å; E181-P183 WeakPolarHBondContact O-CD 3.49Å
182	C	94.6	Very high	92.5	Very high	0 Å²	0	71.9 Å²	71.9	0%	0	37%	0.367	C	S	.	.			trans	-59.2	118.5	-169	175.5	0	0	0	0	111.3	Q164 H177 R184 R185	Q164-C182 PolarHBondContact OE1-SG 3.48Å; Q164-C182 VanDerWaalsContact OE1-SG 3.34Å; H177-C182 WeakPolarHBondContact NE2-CB 3.37Å; H177-C182 WeakPolarHBondContact O-CB 3.47Å; H177-C182 PolarHBondContact O-N 2.91Å; C182-R184 PolarHBondContact O-N 2.85Å; C182-R185 HydrophobicContact CB-CB 4.08Å; C182-R185 WeakPolarHBondContact O-CB 3.38Å; C182-R185 WeakPolarHBondContact O-CD 3.33Å; C182-R185 WeakPolarHBondContact O-CG 3.33Å; C182-R185 PolarHBondContact O-N 3.23Å; C182-R185 PolarHBondContact SG-N 3.13Å
183	P	92.9	Very high	92.6	Very high	59 Å²	59	73 Å²	73	38%	0.383	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-30.6	178.8	-25.9	35.8	0	0	0	113	E181 Y198 E199	E181-P183 VanDerWaalsContact O-CD 3.32Å; E181-P183 WeakPolarHBondContact O-CD 3.49Å; P183-Y198 PolarHBondContact O-N 3.23Å; P183-Y198 VanDerWaalsContact O-N 3.11Å; P183-E199 HydrophobicContact CB-CB 4.29Å; P183-E199 VanDerWaalsContact CB-OE2 3.26Å; P183-E199 WeakPolarHBondContact CB-OE2 3.21Å; P183-E199 PolarHBondContact O-N 3.14Å
184	R	93.2	Very high	92.7	Very high	106 Å²	106	73.4 Å²	73.4	40%	0.4	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	5.7	179	-59.3	-62.3	-65.8	162.9	2.7	114.1	Q164 C165 C182 E199	Q164-R184 HydrophobicContact CB-CB 3.87Å; Q164-R184 WeakPolarHBondContact O-CB 3.36Å; Q164-R184 WeakPolarHBondContact O-CG 3.44Å; C165-R184 HydrophobicContact CB-CB 4.43Å; C165-R184 HydrophobicContact CB-CG 4.24Å; C182-R184 PolarHBondContact O-N 2.85Å; R184-E199 VanDerWaalsContact CD-CD 3.43Å; R184-E199 WeakPolarHBondContact CD-OE1 3.35Å; R184-E199 WeakPolarHBondContact CD-OE2 3.29Å; R184-E199 IonicContact CZ-OE1 3.64Å; R184-E199 IonicContact NE-OE1 2.72Å; R184-E199 IonicContact NH1-OE1 3.12Å; R184-E199 PolarHBondContact NH1-OE1 2.93Å
185	R	94.4	Very high	92.8	Very high	51 Å²	51	75 Å²	75	19%	0.192	40%	0.401	C	S	.	.			trans	-63.9	140	174.6	74.8	-165	173.8	111.8	5.6	110.5	M178 T179 Q180 C182 V187 A197 Y198	M178-R185 WeakPolarHBondContact O-CB 3.24Å; T179-R185 PolarHBondContact O-NH1 2.9Å; Q180-R185 PolarHBondContact O-NE 3.45Å; C182-R185 HydrophobicContact CB-CB 4.08Å; C182-R185 WeakPolarHBondContact O-CB 3.38Å; C182-R185 WeakPolarHBondContact O-CD 3.33Å; C182-R185 WeakPolarHBondContact O-CG 3.33Å; C182-R185 PolarHBondContact O-N 3.23Å; C182-R185 PolarHBondContact SG-N 3.13Å; R185-V187 HydrophobicContact CG-CG1 4.22Å; R185-A197 CarbonylContact O-C 3.58Å; R185-A197 WeakPolarHBondContact O-CA 3.2Å; R185-Y198 HydrophobicContact CG-CG 4.49Å; R185-Y198 PolarHBondContact O-N 3.46Å
186	Q	93.4	Very high	93	Very high	113 Å²	113	67.6 Å²	67.6	53%	0.528	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	130.7	176.7	-71.8	-65	-58.7	0	0	110.6	S195 M196	Q186-S195 PolarHBondContact OE1-OG 3.34Å; Q186-M196 CarbonylContact C-O 3.58Å; Q186-M196 WeakPolarHBondContact CA-O 3.26Å
187	V	94.9	Very high	93	Very high	24 Å²	24	62.7 Å²	62.7	15%	0.145	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	146.8	174.1	-63.4	0	0	0	0	109.6	R185 S195 M196 Y198 K201	R185-V187 HydrophobicContact CG-CG1 4.22Å; V187-S195 WeakPolarHBondContact O-CA 3.48Å; V187-M196 HydrophobicContact CG2-CG 4.06Å; V187-M196 PolarHBondContact N-O 3.22Å; V187-M196 PolarHBondContact O-N 3.44Å; V187-Y198 HydrophobicContact CG1-CD2 4.1Å; V187-Y198 HydrophobicContact CG2-CD2 4.37Å; V187-K201 HydrophobicContact CG2-CB 4.31Å; V187-K201 HydrophobicContact CG2-CD 4.31Å; V187-K201 HydrophobicContact CG2-CG 4.5Å
188	C	95.9	Very high	93.1	Very high	83 Å²	83	67.4 Å²	67.4	56%	0.561	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.8	140.1	175	-57.5	0	0	0	0	110.6	M194	C188-M194 CarbonylContact C-O 3.47Å; C188-M194 VanDerWaalsContact CA-O 3.32Å; C188-M194 WeakPolarHBondContact CA-O 3.38Å
189	C	94.4	Very high	93.2	Very high	2 Å²	2	69.3 Å²	69.3	1%	0.014	37%	0.373	C	S	.	.			trans	-66.7	130.3	168.9	175	0	0	0	0	110.3	N191 C192 A193 M194 M196 H204	C189-N191 PolarHBondContact O-N 3Å; C189-N191 PolarHBondContact SG-N 3.42Å; C189-N191 VanDerWaalsContact SG-N 3.42Å; C189-C192 VanDerWaalsContact CB-SG 3.57Å; C189-C192 VanDerWaalsContact SG-SG 3.67Å; C189-A193 VanDerWaalsContact O-CA 3.25Å; C189-A193 WeakPolarHBondContact O-CA 2.97Å; C189-A193 PolarHBondContact O-N 3.39Å; C189-M194 PolarHBondContact N-O 3.12Å; C189-M196 HydrophobicContact CB-CE 3.82Å; C189-H204 WeakPolarHBondContact CB-NE2 3.38Å; C189-H204 PolarHBondContact SG-NE2 3.06Å
190	P	91.4	Very high	93.4	Very high	108 Å²	108	68.6 Å²	68.6	70%	0.701	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-20.3	-179.8	28.3	-35.8	0	0	0	113.4
191	N	92.1	Very high	93.5	Very high	63 Å²	63	65.7 Å²	65.7	34%	0.337	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-34.8	-176.1	-55.2	-60.7	0	0	0	113.4	C189 L210	C189-N191 PolarHBondContact O-N 3Å; C189-N191 PolarHBondContact SG-N 3.42Å; C189-N191 VanDerWaalsContact SG-N 3.42Å; N191-L210 HydrophobicContact CB-CB 4.34Å
192	C	92.8	Very high	93.6	Very high	41 Å²	41	66.7 Å²	66.7	28%	0.277	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.1	2.4	-176.1	72.3	0	0	0	0	115.2	C189 M194 H204 L210	C189-C192 VanDerWaalsContact CB-SG 3.57Å; C189-C192 VanDerWaalsContact SG-SG 3.67Å; C192-M194 PolarHBondContact O-N 2.91Å; C192-H204 PolarHBondContact SG-NE2 3.04Å; C192-H204 VanDerWaalsContact SG-NE2 3.38Å; C192-L210 HydrophobicContact CB-CB 4.22Å; C192-L210 HydrophobicContact CB-CD1 3.88Å; C192-L210 HydrophobicContact CB-CG 4.29Å
193	A	92.3	Very high	93.6	Very high	79 Å²	79	72.2 Å²	72.2	65%	0.653	38%	0.384	S	S	*	.			trans	57.5	3.8	-178.8	0	0	0	0	0	116.7	C189 S195	C189-A193 VanDerWaalsContact O-CA 3.25Å; C189-A193 WeakPolarHBondContact O-CA 2.97Å; C189-A193 PolarHBondContact O-N 3.39Å; A193-S195 PolarHBondContact O-N 2.92Å
194	M	92	Very high	93.7	Very high	99 Å²	99	70.4 Å²	70.4	49%	0.488	37%	0.371	S	S	.	.			trans	-62.5	134.2	176.4	-168.9	174.8	80.8	0	0	111	C188 C189 C192 M196 H204	C188-M194 CarbonylContact C-O 3.47Å; C188-M194 VanDerWaalsContact CA-O 3.32Å; C188-M194 WeakPolarHBondContact CA-O 3.38Å; C189-M194 PolarHBondContact N-O 3.12Å; C192-M194 PolarHBondContact O-N 2.91Å; M194-M196 HydrophobicContact CB-CE 4.15Å; M194-M196 HydrophobicContact CE-CE 3.7Å; M194-M196 HydrophobicContact CG-CE 4.42Å; M194-M196 WeakPolarHBondContact O-CE 3.48Å; M194-H204 WeakPolarHBondContact CE-ND1 3.4Å
195	S	93.6	Very high	93.6	Very high	64 Å²	64	67.7 Å²	67.7	45%	0.448	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	139	175.4	-163.6	0	0	0	0	111	Q186 V187 A193	Q186-S195 PolarHBondContact OE1-OG 3.34Å; V187-S195 WeakPolarHBondContact O-CA 3.48Å; A193-S195 PolarHBondContact O-N 2.92Å
196	M	93.9	Very high	93.5	Very high	15 Å²	15	70.7 Å²	70.7	7%	0.074	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	170	-179.6	62.9	-156.1	75.3	0	0	111	Q186 V187 C189 M194 D200 K201 H204	Q186-M196 CarbonylContact C-O 3.58Å; Q186-M196 WeakPolarHBondContact CA-O 3.26Å; V187-M196 HydrophobicContact CG2-CG 4.06Å; V187-M196 PolarHBondContact N-O 3.22Å; V187-M196 PolarHBondContact O-N 3.44Å; C189-M196 HydrophobicContact CB-CE 3.82Å; M194-M196 HydrophobicContact CB-CE 4.15Å; M194-M196 HydrophobicContact CE-CE 3.7Å; M194-M196 HydrophobicContact CG-CE 4.42Å; M194-M196 WeakPolarHBondContact O-CE 3.48Å; M196-D200 HydrophobicContact CB-CB 4.29Å; M196-K201 HydrophobicContact SD-CB 4.5Å; M196-H204 HydrophobicContact CE-CB 4.16Å; M196-H204 HydrophobicContact SD-CB 3.42Å; M196-H204 WeakPolarHBondContact SD-CB 3.32Å; M196-H204 VanDerWaalsContact SD-CG 3.57Å
197	A	94.4	Very high	93.4	Very high	3 Å²	3	69.3 Å²	69.3	3%	0.025	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	151	167.5	0	0	0	0	0	110.4	R185 E199 D200 K201	R185-A197 CarbonylContact O-C 3.58Å; R185-A197 WeakPolarHBondContact O-CA 3.2Å; A197-E199 VanDerWaalsContact C-N 3.26Å; A197-E199 HydrophobicContact CB-CG 4Å; A197-E199 PolarHBondContact O-N 3.37Å; A197-D200 WeakPolarHBondContact CB-OD2 3.44Å; A197-D200 WeakPolarHBondContact O-CB 3.09Å; A197-D200 PolarHBondContact O-N 3.21Å; A197-K201 PolarHBondContact O-N 2.67Å
198	Y	94.6	Very high	93.4	Very high	109 Å²	109	68.2 Å²	68.2	43%	0.427	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-61.6	-33	-179.5	178.3	-110	0	0	0	113.3	P183 R185 V187 D200 K201	P183-Y198 PolarHBondContact O-N 3.23Å; P183-Y198 VanDerWaalsContact O-N 3.11Å; R185-Y198 HydrophobicContact CG-CG 4.49Å; R185-Y198 PolarHBondContact O-N 3.46Å; V187-Y198 HydrophobicContact CG1-CD2 4.1Å; V187-Y198 HydrophobicContact CG2-CD2 4.37Å; Y198-D200 VanDerWaalsContact C-N 3.31Å; Y198-D200 PolarHBondContact O-N 3.45Å; Y198-K201 HydrophobicContact CD2-CD 4.12Å; Y198-K201 HydrophobicContact CE2-CD 4.1Å; Y198-K201 WeakPolarHBondContact O-CB 3.15Å; Y198-K201 PolarHBondContact O-N 2.91Å
199	E	94	Very high	93.2	Very high	98 Å²	98	67.3 Å²	67.3	46%	0.458	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-63	-31.6	172.2	64.3	-167	-160.6	0	0	113.9	P183 R184 A197 K201	P183-E199 HydrophobicContact CB-CB 4.29Å; P183-E199 VanDerWaalsContact CB-OE2 3.26Å; P183-E199 WeakPolarHBondContact CB-OE2 3.21Å; P183-E199 PolarHBondContact O-N 3.14Å; R184-E199 VanDerWaalsContact CD-CD 3.43Å; R184-E199 WeakPolarHBondContact CD-OE1 3.35Å; R184-E199 WeakPolarHBondContact CD-OE2 3.29Å; R184-E199 IonicContact CZ-OE1 3.64Å; R184-E199 IonicContact NE-OE1 2.72Å; R184-E199 IonicContact NH1-OE1 3.12Å; R184-E199 PolarHBondContact NH1-OE1 2.93Å; A197-E199 VanDerWaalsContact C-N 3.26Å; A197-E199 HydrophobicContact CB-CG 4Å; A197-E199 PolarHBondContact O-N 3.37Å; E199-K201 VanDerWaalsContact C-N 3.29Å; E199-K201 PolarHBondContact O-N 3.32Å
200	D	94.3	Very high	93.1	Very high	74 Å²	74	70.4 Å²	70.4	40%	0.396	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-77.6	-15.6	177.5	-60.8	-48.4	0	0	0	112.5	M196 A197 Y198 E202 L203 H204	M196-D200 HydrophobicContact CB-CB 4.29Å; A197-D200 WeakPolarHBondContact CB-OD2 3.44Å; A197-D200 WeakPolarHBondContact O-CB 3.09Å; A197-D200 PolarHBondContact O-N 3.21Å; Y198-D200 VanDerWaalsContact C-N 3.31Å; Y198-D200 PolarHBondContact O-N 3.45Å; D200-E202 PolarHBondContact O-N 3.46Å; D200-L203 PolarHBondContact O-N 3.38Å; D200-H204 PolarHBondContact O-N 2.91Å
201	K	93.4	Very high	93.2	Very high	66 Å²	66	65.7 Å²	65.7	29%	0.287	35%	0.352	S	S	.	.	H	α-helix	trans	-60.1	-41.5	-169.8	-175.3	-172.8	171.8	-65.1	0	113.1	V187 M196 A197 Y198 E199 H204 D205	V187-K201 HydrophobicContact CG2-CB 4.31Å; V187-K201 HydrophobicContact CG2-CD 4.31Å; V187-K201 HydrophobicContact CG2-CG 4.5Å; M196-K201 HydrophobicContact SD-CB 4.5Å; A197-K201 PolarHBondContact O-N 2.67Å; Y198-K201 HydrophobicContact CD2-CD 4.12Å; Y198-K201 HydrophobicContact CE2-CD 4.1Å; Y198-K201 WeakPolarHBondContact O-CB 3.15Å; Y198-K201 PolarHBondContact O-N 2.91Å; E199-K201 VanDerWaalsContact C-N 3.29Å; E199-K201 PolarHBondContact O-N 3.32Å; K201-H204 PolarHBondContact O-N 2.88Å; K201-D205 IonicContact NZ-OD2 3.32Å; K201-D205 PolarHBondContact NZ-OD2 2.87Å; K201-D205 PolarHBondContact O-N 2.97Å
202	E	93.8	Very high	93.2	Very high	143 Å²	143	67.6 Å²	67.6	67%	0.668	36%	0.363	S	S	*	.	H	α-helix	trans	-66.9	-43.4	-177.6	-169.9	-179.6	162.8	0	0	111.5	D200 H204 D205 Q206	D200-E202 PolarHBondContact O-N 3.46Å; E202-H204 VanDerWaalsContact C-N 3.29Å; E202-H204 PolarHBondContact O-N 2.95Å; E202-D205 PolarHBondContact O-N 3.22Å; E202-Q206 WeakPolarHBondContact O-CG 3.45Å; E202-Q206 PolarHBondContact O-N 3.44Å
203	L	94.1	Very high	93.2	Very high	116 Å²	116	67.1 Å²	67.1	61%	0.607	36%	0.358	S	S	*	.	H	α-helix	trans	-63.4	-36.9	174.5	-179.1	62.5	0	0	0	111.5	D200 T207	D200-L203 PolarHBondContact O-N 3.38Å; L203-T207 PolarHBondContact O-N 3.06Å; L203-T207 PolarHBondContact O-OG1 3.04Å
204	H	94.4	Very high	93.3	Very high	21 Å²	21	70 Å²	70	10%	0.097	36%	0.356	C	S	.	.	H	α-helix	trans	-66.4	-48.2	173.4	179.1	72	0	0	0	112.7	C189 C192 M194 M196 D200 K201 E202 Q206 T207 C208	C189-H204 WeakPolarHBondContact CB-NE2 3.38Å; C189-H204 PolarHBondContact SG-NE2 3.06Å; C192-H204 PolarHBondContact SG-NE2 3.04Å; C192-H204 VanDerWaalsContact SG-NE2 3.38Å; M194-H204 WeakPolarHBondContact CE-ND1 3.4Å; M196-H204 HydrophobicContact CE-CB 4.16Å; M196-H204 HydrophobicContact SD-CB 3.42Å; M196-H204 WeakPolarHBondContact SD-CB 3.32Å; M196-H204 VanDerWaalsContact SD-CG 3.57Å; D200-H204 PolarHBondContact O-N 2.91Å; K201-H204 PolarHBondContact O-N 2.88Å; E202-H204 VanDerWaalsContact C-N 3.29Å; E202-H204 PolarHBondContact O-N 2.95Å; H204-Q206 PolarHBondContact O-N 3.16Å; H204-T207 CarbonylContact O-C 3.52Å; H204-T207 PolarHBondContact O-N 3.2Å; H204-T207 PolarHBondContact O-OG1 2.89Å; H204-C208 WeakPolarHBondContact NE2-CB 3.44Å; H204-C208 PolarHBondContact NE2-SG 3.31Å; H204-C208 WeakPolarHBondContact O-CA 3.41Å; H204-C208 WeakPolarHBondContact O-CB 3.41Å; H204-C208 PolarHBondContact O-N 2.93Å
205	D	92	Very high	93.3	Very high	49 Å²	49	65.2 Å²	65.2	26%	0.262	33%	0.333	S	S	.	.	H	α-helix	trans	-60.1	-34.3	-178	-72.6	-25.3	0	0	0	111.8	K201 E202 T207 R224	K201-D205 IonicContact NZ-OD2 3.32Å; K201-D205 PolarHBondContact NZ-OD2 2.87Å; K201-D205 PolarHBondContact O-N 2.97Å; E202-D205 PolarHBondContact O-N 3.22Å; D205-T207 VanDerWaalsContact C-N 3.29Å; D205-T207 PolarHBondContact O-N 2.84Å; D205-R224 PolarHBondContact O-NH2 3.5Å
206	Q	91.3	Very high	93.2	Very high	114 Å²	114	68.7 Å²	68.7	53%	0.533	34%	0.342	S	S	.	.	H	α-helix	trans	-66	-26.6	173.1	-68.1	176.3	31.9	0	0	113.7	E202 H204 R224	E202-Q206 WeakPolarHBondContact O-CG 3.45Å; E202-Q206 PolarHBondContact O-N 3.44Å; H204-Q206 PolarHBondContact O-N 3.16Å; Q206-R224 PolarHBondContact O-NH1 3.36Å; Q206-R224 PolarHBondContact O-NH2 3.05Å
207	T	92.4	Very high	93	Very high	85 Å²	85	72.8 Å²	72.8	52%	0.521	36%	0.357	S	S	.	.	H	α-helix	trans	-114.5	-8.6	-173.1	54.8	0	0	0	0	114.5	L203 H204 D205 P209	L203-T207 PolarHBondContact O-N 3.06Å; L203-T207 PolarHBondContact O-OG1 3.04Å; H204-T207 CarbonylContact O-C 3.52Å; H204-T207 PolarHBondContact O-N 3.2Å; H204-T207 PolarHBondContact O-OG1 2.89Å; D205-T207 VanDerWaalsContact C-N 3.29Å; D205-T207 PolarHBondContact O-N 2.84Å; T207-P209 WeakPolarHBondContact O-CD 3.37Å
208	C	94.8	Very high	92.9	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	37%	0.366	C	S	.	.			trans	-58.3	121	-173	-176	0	0	0	0	112.3	H204 L210 A211 R224	H204-C208 WeakPolarHBondContact NE2-CB 3.44Å; H204-C208 PolarHBondContact NE2-SG 3.31Å; H204-C208 WeakPolarHBondContact O-CA 3.41Å; H204-C208 WeakPolarHBondContact O-CB 3.41Å; H204-C208 PolarHBondContact O-N 2.93Å; C208-L210 VanDerWaalsContact C-N 3.31Å; C208-L210 PolarHBondContact O-N 2.8Å; C208-A211 HydrophobicContact CB-CB 3.76Å; C208-A211 PolarHBondContact O-N 2.78Å; C208-R224 WeakPolarHBondContact O-CD 3.41Å; C208-R224 PolarHBondContact O-NE 2.61Å; C208-R224 VanDerWaalsContact O-NE 3.14Å
209	P	91.6	Very high	92.7	Very high	65 Å²	65	74.7 Å²	74.7	42%	0.422	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-33.1	-178.7	-24.5	34.5	0	0	0	114	T207 R224 E225	T207-P209 WeakPolarHBondContact O-CD 3.37Å; P209-R224 WeakPolarHBondContact O-CB 3.32Å; P209-R224 PolarHBondContact O-N 3.29Å; P209-E225 HydrophobicContact CB-CB 4.3Å; P209-E225 PolarHBondContact O-N 3.25Å
210	L	92.9	Very high	92.6	Very high	67 Å²	67	73.1 Å²	73.1	35%	0.351	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	0.6	-177.5	-57.7	-177.2	0	0	0	113.2	N191 C192 C208 I223	N191-L210 HydrophobicContact CB-CB 4.34Å; C192-L210 HydrophobicContact CB-CB 4.22Å; C192-L210 HydrophobicContact CB-CD1 3.88Å; C192-L210 HydrophobicContact CB-CG 4.29Å; C208-L210 VanDerWaalsContact C-N 3.31Å; C208-L210 PolarHBondContact O-N 2.8Å; L210-I223 HydrophobicContact CD2-CD1 3.89Å; L210-I223 WeakPolarHBondContact O-CG2 3.25Å
211	A	92.6	Very high	92.4	Very high	8 Å²	8	74.1 Å²	74.1	7%	0.066	38%	0.382	C	S	.	.	S	Bend	trans	-68.1	135.3	175	0	0	0	0	0	111	C208 V213 I223 R224	C208-A211 HydrophobicContact CB-CB 3.76Å; C208-A211 PolarHBondContact O-N 2.78Å; A211-V213 PolarHBondContact O-N 3.33Å; A211-I223 WeakPolarHBondContact O-CA 3.32Å; A211-R224 PolarHBondContact O-N 3.38Å
212	N	92.2	Very high	92.4	Very high	104 Å²	104	72.6 Å²	72.6	56%	0.556	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.2	126	172.7	-68.8	-64	0	0	0	110.2	V221 L222	N212-V221 HydrophobicContact CB-CG1 3.9Å; N212-L222 CarbonylContact C-O 3.43Å; N212-L222 WeakPolarHBondContact CA-O 3.44Å
213	V	92.8	Very high	92.3	Very high	30 Å²	30	67.7 Å²	67.7	18%	0.182	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	157.6	177.4	-64.9	0	0	0	0	109.5	A211 V221 L222 R224 M227	A211-V213 PolarHBondContact O-N 3.33Å; V213-V221 WeakPolarHBondContact O-CA 3.33Å; V213-L222 PolarHBondContact N-O 3.32Å; V213-L222 PolarHBondContact O-N 2.85Å; V213-L222 VanDerWaalsContact O-O 3.11Å; V213-R224 HydrophobicContact CG1-CB 4.32Å; V213-R224 HydrophobicContact CG2-CB 4.23Å; V213-M227 HydrophobicContact CG2-CG 3.5Å; V213-M227 HydrophobicContact CG2-SD 4.29Å
214	F	93.9	Very high	92.3	Very high	139 Å²	139	66.5 Å²	66.5	61%	0.61	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.6	139.9	174.9	52	-91.4	0	0	0	110.6	E216	F214-E216 PolarHBondContact O-N 3.33Å
215	C	92.3	Very high	92.2	Very high	0 Å²	0	71.7 Å²	71.7	0%	0	37%	0.367	C	S	.	.			trans	-70	122	168.1	172.2	0	0	0	0	110.3	Y217 C218 N219 T220 M227 H230 Y231	C215-Y217 PolarHBondContact O-N 3.34Å; C215-Y217 VanDerWaalsContact O-N 3.14Å; C215-C218 PolarHBondContact O-N 2.99Å; C215-C218 PolarHBondContact SG-SG 2.74Å; C215-N219 VanDerWaalsContact O-CA 3.27Å; C215-N219 WeakPolarHBondContact O-CA 3.36Å; C215-N219 PolarHBondContact O-N 3.3Å; C215-T220 PolarHBondContact N-O 3.23Å; C215-M227 HydrophobicContact CB-CE 3.78Å; C215-M227 HydrophobicContact CB-SD 4.18Å; C215-H230 VanDerWaalsContact SG-CD2 3.55Å; C215-H230 PolarHBondContact SG-NE2 3.11Å; C215-Y231 VanDerWaalsContact SG-CE1 3.56Å
216	E	91.8	Very high	92.2	Very high	136 Å²	136	74.1 Å²	74.1	64%	0.636	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-22.7	-176.1	-63.2	179.9	154.6	0	0	113.8	F214	F214-E216 PolarHBondContact O-N 3.33Å
217	Y	90.4	Very high	92.1	Very high	101 Å²	101	69.3 Å²	69.3	40%	0.396	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-32.2	-177.3	-51	-64.4	0	0	0	114	C215 Y231 T237 A238 P239	C215-Y217 PolarHBondContact O-N 3.34Å; C215-Y217 VanDerWaalsContact O-N 3.14Å; Y217-Y231 AromaticContact CD2-CD1 3.71Å; Y217-Y231 HydrophobicContact CD2-CD1 3.71Å; Y217-Y231 AromaticContact CD2-CE1 3.4Å; Y217-Y231 HydrophobicContact CD2-CE1 3.4Å; Y217-Y231 VanDerWaalsContact CD2-CE1 3.4Å; Y217-Y231 AromaticContact CE2-CD1 3.72Å; Y217-Y231 HydrophobicContact CE2-CD1 3.72Å; Y217-Y231 AromaticContact CE2-CE1 3.43Å; Y217-Y231 HydrophobicContact CE2-CE1 3.43Å; Y217-Y231 VanDerWaalsContact CE2-CE1 3.43Å; Y217-Y231 HydrophobicContact CE2-CG 4.44Å; Y217-Y231 AromaticContact CE2-CZ 3.93Å; Y217-T237 WeakPolarHBondContact CB-OG1 3.44Å; Y217-T237 WeakPolarHBondContact O-CB 3.34Å; Y217-T237 PolarHBondContact O-OG1 2.73Å; Y217-A238 HydrophobicContact CD2-CB 3.86Å; Y217-A238 HydrophobicContact CE2-CB 4.31Å; Y217-A238 HydrophobicContact CG-CB 4.43Å; Y217-P239 VanDerWaalsContact CE1-CD 3.47Å; Y217-P239 HydrophobicContact CE1-CG 3.92Å; Y217-P239 VanDerWaalsContact CZ-CD 3.46Å
218	C	91.2	Very high	92	Very high	31 Å²	31	68.9 Å²	68.9	21%	0.209	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.7	2.5	-174.5	71.8	0	0	0	0	115.1	C215 T220 H230 C235 P236 T237	C215-C218 PolarHBondContact O-N 2.99Å; C215-C218 PolarHBondContact SG-SG 2.74Å; C218-T220 PolarHBondContact O-N 3.47Å; C218-T220 PolarHBondContact SG-OG1 2.86Å; C218-H230 PolarHBondContact SG-NE2 3.46Å; C218-C235 VanDerWaalsContact SG-SG 3.65Å; C218-P236 HydrophobicContact CB-CG 4.21Å; C218-T237 WeakPolarHBondContact CB-OG1 3.11Å
219	N	91.1	Very high	91.9	Very high	122 Å²	122	72.9 Å²	72.9	65%	0.652	37%	0.374	S	S	*	.			trans	56.8	14.9	179.4	-59.3	-52.5	0	0	0	115.7	C215	C215-N219 VanDerWaalsContact O-CA 3.27Å; C215-N219 WeakPolarHBondContact O-CA 3.36Å; C215-N219 PolarHBondContact O-N 3.3Å
220	T	90.4	Very high	91.9	Very high	64 Å²	64	70.4 Å²	70.4	39%	0.393	36%	0.357	S	S	.	.			trans	-67.5	134.7	171.4	-52.8	0	0	0	0	109.8	C215 C218 L222	C215-T220 PolarHBondContact N-O 3.23Å; C218-T220 PolarHBondContact O-N 3.47Å; C218-T220 PolarHBondContact SG-OG1 2.86Å; T220-L222 HydrophobicContact CG2-CG 4.29Å
221	V	91.9	Very high	91.8	Very high	95 Å²	95	70.4 Å²	70.4	58%	0.576	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.6	127.1	177.1	-178.4	0	0	0	0	109.6	N212 V213	N212-V221 HydrophobicContact CB-CG1 3.9Å; V213-V221 WeakPolarHBondContact O-CA 3.33Å
222	L	91.7	Very high	91.6	Very high	34 Å²	34	75.6 Å²	75.6	18%	0.178	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	160.7	-177.5	-70.3	166.7	0	0	0	109.5	N212 V213 T220 M227 H230	N212-L222 CarbonylContact C-O 3.43Å; N212-L222 WeakPolarHBondContact CA-O 3.44Å; V213-L222 PolarHBondContact N-O 3.32Å; V213-L222 PolarHBondContact O-N 2.85Å; V213-L222 VanDerWaalsContact O-O 3.11Å; T220-L222 HydrophobicContact CG2-CG 4.29Å; L222-M227 HydrophobicContact CB-SD 4.01Å; L222-M227 HydrophobicContact CD1-SD 3.79Å; L222-M227 HydrophobicContact CG-SD 4.49Å; L222-H230 HydrophobicContact CD1-CB 3.55Å
223	I	92.7	Very high	91.3	Very high	40 Å²	40	75.4 Å²	75.4	21%	0.205	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	144.8	167.1	59.3	170.2	0	0	0	110.3	L210 A211 E225 Q226	L210-I223 HydrophobicContact CD2-CD1 3.89Å; L210-I223 WeakPolarHBondContact O-CG2 3.25Å; A211-I223 WeakPolarHBondContact O-CA 3.32Å; I223-E225 HydrophobicContact CD1-CB 4.49Å; I223-E225 PolarHBondContact O-N 3.07Å; I223-E225 VanDerWaalsContact O-N 3.12Å; I223-Q226 HydrophobicContact CD1-CG 4.05Å; I223-Q226 HydrophobicContact CG1-CB 4.1Å; I223-Q226 VanDerWaalsContact CG1-CD 3.47Å; I223-Q226 HydrophobicContact CG1-CG 3.64Å; I223-Q226 PolarHBondContact O-N 3.35Å
224	R	92.9	Very high	91.1	Very high	91 Å²	91	78.5 Å²	78.5	34%	0.343	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-52.2	-37.4	-175.5	-173	-174.4	-61.3	-83.8	3.4	113.4	D205 Q206 C208 P209 A211 V213 Q226 M227	D205-R224 PolarHBondContact O-NH2 3.5Å; Q206-R224 PolarHBondContact O-NH1 3.36Å; Q206-R224 PolarHBondContact O-NH2 3.05Å; C208-R224 WeakPolarHBondContact O-CD 3.41Å; C208-R224 PolarHBondContact O-NE 2.61Å; C208-R224 VanDerWaalsContact O-NE 3.14Å; P209-R224 WeakPolarHBondContact O-CB 3.32Å; P209-R224 PolarHBondContact O-N 3.29Å; A211-R224 PolarHBondContact O-N 3.38Å; V213-R224 HydrophobicContact CG1-CB 4.32Å; V213-R224 HydrophobicContact CG2-CB 4.23Å; R224-Q226 VanDerWaalsContact C-N 3.28Å; R224-Q226 PolarHBondContact O-N 3.42Å; R224-M227 PolarHBondContact O-N 3.02Å
225	E	92.8	Very high	91	Very high	131 Å²	131	71.9 Å²	71.9	61%	0.612	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-62.1	-28.6	177.2	-173.1	168.6	-150.7	0	0	113.9	P209 I223	P209-E225 HydrophobicContact CB-CB 4.3Å; P209-E225 PolarHBondContact O-N 3.25Å; I223-E225 HydrophobicContact CD1-CB 4.49Å; I223-E225 PolarHBondContact O-N 3.07Å; I223-E225 VanDerWaalsContact O-N 3.12Å
226	Q	91.6	Very high	90.9	Very high	100 Å²	100	75 Å²	75	47%	0.467	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-85.9	-15.9	179.5	-71.2	172.9	-6.6	0	0	113.6	I223 R224 N229 H230	I223-Q226 HydrophobicContact CD1-CG 4.05Å; I223-Q226 HydrophobicContact CG1-CB 4.1Å; I223-Q226 VanDerWaalsContact CG1-CD 3.47Å; I223-Q226 HydrophobicContact CG1-CG 3.64Å; I223-Q226 PolarHBondContact O-N 3.35Å; R224-Q226 VanDerWaalsContact C-N 3.28Å; R224-Q226 PolarHBondContact O-N 3.42Å; Q226-N229 PolarHBondContact O-N 2.84Å; Q226-H230 PolarHBondContact O-N 3.39Å; Q226-H230 VanDerWaalsContact O-N 3.08Å
227	M	90.6	Very high	91	Very high	13 Å²	13	69.9 Å²	69.9	6%	0.064	36%	0.363	C	S	.	.	H	α-helix	trans	-59.5	-38.2	-174.4	-80.8	-56.5	-47.9	0	0	115.6	V213 C215 L222 R224 H230 Y231	V213-M227 HydrophobicContact CG2-CG 3.5Å; V213-M227 HydrophobicContact CG2-SD 4.29Å; C215-M227 HydrophobicContact CB-CE 3.78Å; C215-M227 HydrophobicContact CB-SD 4.18Å; L222-M227 HydrophobicContact CB-SD 4.01Å; L222-M227 HydrophobicContact CD1-SD 3.79Å; L222-M227 HydrophobicContact CG-SD 4.49Å; R224-M227 PolarHBondContact O-N 3.02Å; M227-H230 PolarHBondContact O-N 2.84Å; M227-Y231 HydrophobicContact CE-CD1 3.74Å; M227-Y231 HydrophobicContact CE-CD2 4.18Å; M227-Y231 HydrophobicContact CE-CE1 3.28Å; M227-Y231 HydrophobicContact CE-CE2 3.78Å; M227-Y231 HydrophobicContact CE-CG 4.17Å; M227-Y231 PolarHBondContact O-N 2.86Å
228	P	90.4	Very high	91	Very high	76 Å²	76	65.2 Å²	65.2	49%	0.494	35%	0.346	S	S	.	.	H	α-helix	trans	-59.6	-49.6	176.1	-25.2	35.7	0	0	0	112.4	H230 Y231 D232	P228-H230 VanDerWaalsContact C-N 3.29Å; P228-H230 PolarHBondContact O-N 2.93Å; P228-Y231 PolarHBondContact O-N 3.44Å; P228-D232 PolarHBondContact O-N 3.23Å
229	N	91.9	Very high	91.1	Very high	84 Å²	84	67 Å²	67	45%	0.449	36%	0.357	S	S	.	.	H	α-helix	trans	-60.5	-40.9	176.6	-174.2	82.3	0	0	0	111.8	Q226 D232 N233 D234	Q226-N229 PolarHBondContact O-N 2.84Å; N229-D232 PolarHBondContact O-N 3.21Å; N229-N233 WeakPolarHBondContact O-CB 3.37Å; N229-N233 PolarHBondContact O-N 3.5Å; N229-N233 PolarHBondContact OD1-ND2 3.19Å; N229-D234 PolarHBondContact ND2-OD2 2.86Å
230	H	91.9	Very high	91.2	Very high	13 Å²	13	62 Å²	62	6%	0.06	33%	0.331	C	S	.	.	I	π-helix	trans	-61.6	-44.2	177.3	177.6	75.2	0	0	0	112	C215 C218 L222 Q226 M227 P228 D234 C235	C215-H230 VanDerWaalsContact SG-CD2 3.55Å; C215-H230 PolarHBondContact SG-NE2 3.11Å; C218-H230 PolarHBondContact SG-NE2 3.46Å; L222-H230 HydrophobicContact CD1-CB 3.55Å; Q226-H230 PolarHBondContact O-N 3.39Å; Q226-H230 VanDerWaalsContact O-N 3.08Å; M227-H230 PolarHBondContact O-N 2.84Å; P228-H230 VanDerWaalsContact C-N 3.29Å; P228-H230 PolarHBondContact O-N 2.93Å; H230-D234 WeakPolarHBondContact CA-OD2 3.32Å; H230-D234 PolarHBondContact O-N 3.46Å; H230-D234 VanDerWaalsContact O-N 3.09Å; H230-C235 WeakPolarHBondContact NE2-CB 3.42Å; H230-C235 WeakPolarHBondContact O-CB 3.4Å; H230-C235 PolarHBondContact O-N 3.11Å
231	Y	90	Very high	91.3	Very high	67 Å²	67	62.2 Å²	62.2	26%	0.263	33%	0.333	S	S	.	.	I	π-helix	trans	-63.6	-45.1	174.9	-72.9	-29.6	0	0	0	112.1	C215 Y217 M227 P228 R255	C215-Y231 VanDerWaalsContact SG-CE1 3.56Å; Y217-Y231 AromaticContact CD2-CD1 3.71Å; Y217-Y231 HydrophobicContact CD2-CD1 3.71Å; Y217-Y231 AromaticContact CD2-CE1 3.4Å; Y217-Y231 HydrophobicContact CD2-CE1 3.4Å; Y217-Y231 VanDerWaalsContact CD2-CE1 3.4Å; Y217-Y231 AromaticContact CE2-CD1 3.72Å; Y217-Y231 HydrophobicContact CE2-CD1 3.72Å; Y217-Y231 AromaticContact CE2-CE1 3.43Å; Y217-Y231 HydrophobicContact CE2-CE1 3.43Å; Y217-Y231 VanDerWaalsContact CE2-CE1 3.43Å; Y217-Y231 HydrophobicContact CE2-CG 4.44Å; Y217-Y231 AromaticContact CE2-CZ 3.93Å; M227-Y231 HydrophobicContact CE-CD1 3.74Å; M227-Y231 HydrophobicContact CE-CD2 4.18Å; M227-Y231 HydrophobicContact CE-CE1 3.28Å; M227-Y231 HydrophobicContact CE-CE2 3.78Å; M227-Y231 HydrophobicContact CE-CG 4.17Å; M227-Y231 PolarHBondContact O-N 2.86Å; P228-Y231 PolarHBondContact O-N 3.44Å; Y231-R255 VanDerWaalsContact O-CZ 3.32Å; Y231-R255 PolarHBondContact O-NH1 2.98Å; Y231-R255 PolarHBondContact O-NH2 2.96Å
232	D	88.2	Confident	91.3	Very high	117 Å²	117	57.7 Å²	57.7	63%	0.626	31%	0.306	S	S	*	.	I	π-helix	trans	-72.6	-34.4	-174.9	-71.1	-22.9	0	0	0	113.9	P228 N229 R255	P228-D232 PolarHBondContact O-N 3.23Å; N229-D232 PolarHBondContact O-N 3.21Å; D232-R255 PolarHBondContact O-NH2 3.15Å
233	N	85.8	Confident	91.2	Very high	100 Å²	100	63 Å²	63	54%	0.535	33%	0.328	S	S	.	.	I	π-helix	trans	-120.8	-52.3	-171.4	-62.7	-54.3	0	0	0	113.7	N229	N229-N233 WeakPolarHBondContact O-CB 3.37Å; N229-N233 PolarHBondContact O-N 3.5Å; N229-N233 PolarHBondContact OD1-ND2 3.19Å
234	D	89.6	Confident	91	Very high	95 Å²	95	63.4 Å²	63.4	51%	0.508	33%	0.327	S	S	.	.	I	π-helix	trans	-94.7	-26.4	-158.9	-47	-50.7	0	0	0	114.9	N229 H230 P236	N229-D234 PolarHBondContact ND2-OD2 2.86Å; H230-D234 WeakPolarHBondContact CA-OD2 3.32Å; H230-D234 PolarHBondContact O-N 3.46Å; H230-D234 VanDerWaalsContact O-N 3.09Å; D234-P236 WeakPolarHBondContact O-CD 3.19Å
235	C	92.1	Very high	90.9	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.329	C	S	.	.			trans	-71.4	120.6	-168.7	-174.6	0	0	0	0	112.1	C218 H230 T237 A238 R255	C218-C235 VanDerWaalsContact SG-SG 3.65Å; H230-C235 WeakPolarHBondContact NE2-CB 3.42Å; H230-C235 WeakPolarHBondContact O-CB 3.4Å; H230-C235 PolarHBondContact O-N 3.11Å; C235-T237 VanDerWaalsContact C-N 3.26Å; C235-T237 PolarHBondContact O-N 2.99Å; C235-A238 HydrophobicContact CB-CB 3.75Å; C235-R255 WeakPolarHBondContact O-CD 3.4Å; C235-R255 PolarHBondContact O-NH1 3.04Å
236	P	90.6	Very high	90.5	Very high	66 Å²	66	59.9 Å²	59.9	43%	0.429	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-20.6	-175.7	28.1	-35.5	0	0	0	113.7	C218 D234 R255 N256	C218-P236 HydrophobicContact CB-CG 4.21Å; D234-P236 WeakPolarHBondContact O-CD 3.19Å; P236-R255 PolarHBondContact O-N 3.45Å; P236-N256 VanDerWaalsContact O-CB 3.3Å; P236-N256 WeakPolarHBondContact O-CB 3.38Å; P236-N256 PolarHBondContact O-N 2.93Å; P236-N256 PolarHBondContact O-OD1 3.11Å
237	T	92.4	Very high	90.2	Very high	27 Å²	27	58.4 Å²	58.4	17%	0.166	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.9	0.1	-172.2	50.7	0	0	0	0	114	Y217 C218 C235 Q254	Y217-T237 WeakPolarHBondContact CB-OG1 3.44Å; Y217-T237 WeakPolarHBondContact O-CB 3.34Å; Y217-T237 PolarHBondContact O-OG1 2.73Å; C218-T237 WeakPolarHBondContact CB-OG1 3.11Å; C235-T237 VanDerWaalsContact C-N 3.26Å; C235-T237 PolarHBondContact O-N 2.99Å; T237-Q254 WeakPolarHBondContact O-CG 3.43Å
238	A	91.4	Very high	90	Very high	4 Å²	4	60.4 Å²	60.4	3%	0.033	35%	0.352	C	S	.	.	S	Bend	trans	-60.7	143	176.9	0	0	0	0	0	111.5	Y217 C235 V240 R255	Y217-A238 HydrophobicContact CD2-CB 3.86Å; Y217-A238 HydrophobicContact CE2-CB 4.31Å; Y217-A238 HydrophobicContact CG-CB 4.43Å; C235-A238 HydrophobicContact CB-CB 3.75Å; A238-V240 PolarHBondContact O-N 2.88Å; A238-V240 VanDerWaalsContact O-N 3.14Å; A238-R255 PolarHBondContact O-N 3.32Å
239	P	93.1	Very high	90	Very high	67 Å²	67	57.2 Å²	57.2	44%	0.435	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	100	-175.4	29.6	-34.6	0	0	0	111.6	Y217 M253	Y217-P239 VanDerWaalsContact CE1-CD 3.47Å; Y217-P239 HydrophobicContact CE1-CG 3.92Å; Y217-P239 VanDerWaalsContact CZ-CD 3.46Å; P239-M253 CarbonylContact C-O 3.59Å; P239-M253 WeakPolarHBondContact CA-O 3.27Å
240	V	92.4	Very high	89.8	Confident	18 Å²	18	58.1 Å²	58.1	11%	0.109	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	145.2	178.1	-65.2	0	0	0	0	111.5	A238 K252 M253 R255 L258	A238-V240 PolarHBondContact O-N 2.88Å; A238-V240 VanDerWaalsContact O-N 3.14Å; V240-K252 WeakPolarHBondContact O-CA 3.46Å; V240-M253 PolarHBondContact N-O 3.3Å; V240-M253 PolarHBondContact O-N 3.41Å; V240-R255 HydrophobicContact CG1-CB 4.1Å; V240-R255 HydrophobicContact CG1-CG 4.38Å; V240-R255 HydrophobicContact CG2-CB 4.17Å; V240-L258 HydrophobicContact CG2-CB 4.27Å; V240-L258 HydrophobicContact CG2-CD2 3.94Å
241	P	92.5	Very high	89.7	Confident	68 Å²	68	62.2 Å²	62.2	44%	0.442	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	151.3	171.1	32.1	-34.8	0	0	0	111.2
242	C	92.9	Very high	89.8	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	38%	0.381	C	S	.	.	P	Polyproline II helix	trans	-52.9	138.7	166.3	174.6	0	0	0	0	111.4	Y244 S245 C249 E251 M253 H261 M262 H269	C242-Y244 PolarHBondContact O-N 2.91Å; C242-Y244 VanDerWaalsContact O-N 3.1Å; C242-Y244 PolarHBondContact SG-N 3.08Å; C242-S245 WeakPolarHBondContact O-CB 3.34Å; C242-S245 PolarHBondContact O-N 2.98Å; C242-S245 PolarHBondContact O-OG 3.24Å; C242-C249 HydrophobicContact CB-CB 4.17Å; C242-C249 VanDerWaalsContact SG-SG 3.62Å; C242-E251 WeakPolarHBondContact CB-O 3.35Å; C242-E251 PolarHBondContact N-O 3.02Å; C242-M253 HydrophobicContact CB-CE 4.03Å; C242-H261 PolarHBondContact SG-NE2 3.21Å; C242-M262 WeakPolarHBondContact SG-CE 3.32Å; C242-H269 PolarHBondContact SG-NE2 3.28Å
243	F	89.8	Confident	90	Very high	147 Å²	147	61.8 Å²	61.8	65%	0.645	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-23.4	174.6	-64.5	-42.9	0	0	0	113.4	L258 M262	F243-L258 HydrophobicContact CD1-CD2 4.37Å; F243-L258 HydrophobicContact CD2-CD2 4.39Å; F243-L258 HydrophobicContact CE1-CD2 3.81Å; F243-L258 HydrophobicContact CE2-CD2 3.83Å; F243-L258 HydrophobicContact CE2-CG 4.23Å; F243-L258 HydrophobicContact CZ-CD2 3.51Å; F243-L258 HydrophobicContact CZ-CG 4.39Å; F243-M262 HydrophobicContact CB-SD 4.27Å; F243-M262 HydrophobicContact CD2-CG 4.06Å; F243-M262 HydrophobicContact CD2-SD 3.78Å; F243-M262 HydrophobicContact CE2-CG 4.46Å; F243-M262 HydrophobicContact CG-SD 4.47Å
244	Y	88.9	Confident	90.3	Very high	48 Å²	48	61 Å²	61	19%	0.188	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	13.8	176.1	-66.9	-105.8	0	0	0	113.2	C242 A246 F247 G248 C249 M262 H269 M270 M273	C242-Y244 PolarHBondContact O-N 2.91Å; C242-Y244 VanDerWaalsContact O-N 3.1Å; C242-Y244 PolarHBondContact SG-N 3.08Å; Y244-A246 VanDerWaalsContact C-N 3.26Å; Y244-A246 PolarHBondContact O-N 2.92Å; Y244-F247 AromaticContact CD1-CD2 3.67Å; Y244-F247 HydrophobicContact CD1-CD2 3.67Å; Y244-F247 HydrophobicContact CD1-CE2 4.28Å; Y244-F247 HydrophobicContact CE1-CD2 4.46Å; Y244-F247 HydrophobicContact CG-CD2 4.23Å; Y244-F247 CarbonylContact O-C 3.56Å; Y244-F247 WeakPolarHBondContact O-CA 3.5Å; Y244-F247 PolarHBondContact O-N 3.43Å; Y244-G248 PolarHBondContact O-N 3.15Å; Y244-C249 WeakPolarHBondContact O-CB 3.44Å; Y244-C249 PolarHBondContact O-N 3.01Å; Y244-C249 VanDerWaalsContact O-N 3.12Å; Y244-M262 HydrophobicContact CD2-CE 3.97Å; Y244-M262 HydrophobicContact CD2-SD 3.92Å; Y244-M262 HydrophobicContact CE2-CE 4.45Å; Y244-M262 HydrophobicContact CE2-SD 3.83Å; Y244-H269 HydrophobicContact CD1-CB 3.66Å; Y244-H269 HydrophobicContact CD2-CB 3.74Å; Y244-H269 AromaticContact CD2-CG 3.74Å; Y244-H269 HydrophobicContact CE1-CB 3.78Å; Y244-H269 HydrophobicContact CE2-CB 3.88Å; Y244-H269 HydrophobicContact CG-CB 3.64Å; Y244-H269 AromaticContact CG-CD2 3.93Å; Y244-H269 AromaticContact CG-CG 3.8Å; Y244-M270 HydrophobicContact CE1-CE 4.5Å; Y244-M273 HydrophobicContact CD1-CB 4.21Å; Y244-M273 HydrophobicContact CD1-CE 4.19Å; Y244-M273 HydrophobicContact CE1-CB 3.99Å; Y244-M273 HydrophobicContact CE1-CE 3.49Å; Y244-M273 VanDerWaalsContact CE1-CE 3.49Å; Y244-M273 HydrophobicContact CE1-SD 3.97Å
245	S	90.3	Very high	90.4	Very high	55 Å²	55	59.5 Å²	59.5	39%	0.385	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-59.8	-35.3	173.3	52	0	0	0	0	112.8	C242 F247 G248 C249	C242-S245 WeakPolarHBondContact O-CB 3.34Å; C242-S245 PolarHBondContact O-N 2.98Å; C242-S245 PolarHBondContact O-OG 3.24Å; S245-F247 PolarHBondContact O-N 3.39Å; S245-G248 PolarHBondContact O-N 2.69Å; S245-C249 VanDerWaalsContact CA-O 3.29Å; S245-C249 WeakPolarHBondContact CA-O 3.29Å
246	A	84.3	Confident	90.4	Very high	93 Å²	93	63.8 Å²	63.8	77%	0.769	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-62.1	-19.7	170.5	0	0	0	0	0	114	Y244	Y244-A246 VanDerWaalsContact C-N 3.26Å; Y244-A246 PolarHBondContact O-N 2.92Å
247	F	85.9	Confident	90.4	Very high	69 Å²	69	63.9 Å²	63.9	30%	0.303	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-102.5	11.6	174.2	-55.3	-67.7	0	0	0	112.8	Y244 S245 M272 M273 S276	Y244-F247 AromaticContact CD1-CD2 3.67Å; Y244-F247 HydrophobicContact CD1-CD2 3.67Å; Y244-F247 HydrophobicContact CD1-CE2 4.28Å; Y244-F247 HydrophobicContact CE1-CD2 4.46Å; Y244-F247 HydrophobicContact CG-CD2 4.23Å; Y244-F247 CarbonylContact O-C 3.56Å; Y244-F247 WeakPolarHBondContact O-CA 3.5Å; Y244-F247 PolarHBondContact O-N 3.43Å; S245-F247 PolarHBondContact O-N 3.39Å; F247-M272 HydrophobicContact CB-CB 4.38Å; F247-M273 HydrophobicContact CD2-CE 4.18Å; F247-M273 HydrophobicContact CE2-CE 3.46Å; F247-M273 VanDerWaalsContact CE2-CE 3.46Å; F247-M273 HydrophobicContact CZ-CE 3.79Å; F247-S276 WeakPolarHBondContact CD1-OG 3.23Å
248	G	85.7	Confident	90.3	Very high	54 Å²	54	63.3 Å²	63.3	56%	0.557	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.1	12.4	174.3	0	0	0	0	0	116.3	Y244 S245 P250	Y244-G248 PolarHBondContact O-N 3.15Å; S245-G248 PolarHBondContact O-N 2.69Å; G248-P250 WeakPolarHBondContact O-CD 3.47Å
249	C	90.3	Very high	90.2	Very high	9 Å²	9	66.6 Å²	66.6	6%	0.061	38%	0.377	C	S	.	.			trans	-74	119.3	170.1	-169.6	0	0	0	0	110.6	C242 Y244 S245 E251 H269 M272	C242-C249 HydrophobicContact CB-CB 4.17Å; C242-C249 VanDerWaalsContact SG-SG 3.62Å; Y244-C249 WeakPolarHBondContact O-CB 3.44Å; Y244-C249 PolarHBondContact O-N 3.01Å; Y244-C249 VanDerWaalsContact O-N 3.12Å; S245-C249 VanDerWaalsContact CA-O 3.29Å; S245-C249 WeakPolarHBondContact CA-O 3.29Å; C249-E251 VanDerWaalsContact C-N 3.29Å; C249-E251 PolarHBondContact O-N 3.22Å; C249-H269 PolarHBondContact SG-NE2 3.02Å; C249-H269 VanDerWaalsContact SG-NE2 3.37Å; C249-M272 HydrophobicContact CB-SD 4Å
250	P	88.6	Confident	90.1	Very high	103 Å²	103	69 Å²	69	67%	0.669	38%	0.377	S	S	*	.			trans	-79.1	-11.6	-174.9	33.3	-36.7	0	0	0	113.7	G248	G248-P250 WeakPolarHBondContact O-CD 3.47Å
251	E	90	Very high	90	Very high	99 Å²	99	68.9 Å²	68.9	46%	0.463	38%	0.375	S	S	.	.			trans	-71	135.4	-165.4	-60.9	-54.7	143.1	0	0	113.8	C242 C249 M253	C242-E251 WeakPolarHBondContact CB-O 3.35Å; C242-E251 PolarHBondContact N-O 3.02Å; C249-E251 VanDerWaalsContact C-N 3.29Å; C249-E251 PolarHBondContact O-N 3.22Å; E251-M253 HydrophobicContact CB-CE 3.69Å
252	K	91.9	Very high	89.8	Confident	155 Å²	155	67.2 Å²	67.2	67%	0.674	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.9	138.4	165.4	-65.4	-173.1	177.8	-173.9	0	108.7	V240	V240-K252 WeakPolarHBondContact O-CA 3.46Å
253	M	90.8	Very high	89.7	Confident	21 Å²	21	74.6 Å²	74.6	10%	0.103	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	169.8	-175.9	63.2	-133.1	65.2	0	0	110.6	P239 V240 C242 E251 E257 L258 H261	P239-M253 CarbonylContact C-O 3.59Å; P239-M253 WeakPolarHBondContact CA-O 3.27Å; V240-M253 PolarHBondContact N-O 3.3Å; V240-M253 PolarHBondContact O-N 3.41Å; C242-M253 HydrophobicContact CB-CE 4.03Å; E251-M253 HydrophobicContact CB-CE 3.69Å; M253-E257 HydrophobicContact CB-CB 4.32Å; M253-E257 HydrophobicContact CG-CB 4.43Å; M253-L258 HydrophobicContact CE-CD1 4.49Å; M253-L258 HydrophobicContact CG-CB 4.24Å; M253-L258 HydrophobicContact CG-CD1 4.4Å; M253-L258 HydrophobicContact SD-CB 4.28Å; M253-L258 HydrophobicContact SD-CD1 3.62Å; M253-H261 HydrophobicContact SD-CB 3.47Å; M253-H261 WeakPolarHBondContact SD-CB 3.47Å; M253-H261 PolarHBondContact SD-CD2 3.19Å
254	Q	93	Very high	89.7	Confident	84 Å²	84	72.8 Å²	72.8	39%	0.393	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	144.9	171.3	-62	-170.5	8.7	0	0	110.6	T237 N256 E257 L258	T237-Q254 WeakPolarHBondContact O-CG 3.43Å; Q254-N256 WeakPolarHBondContact CB-OD1 3.38Å; Q254-N256 PolarHBondContact O-N 3.23Å; Q254-E257 HydrophobicContact CB-CG 4.27Å; Q254-E257 WeakPolarHBondContact O-CB 3.24Å; Q254-E257 PolarHBondContact O-N 3.43Å; Q254-L258 PolarHBondContact O-N 3.32Å
255	R	90.9	Very high	89.6	Confident	63 Å²	63	74.8 Å²	74.8	24%	0.238	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-35.2	-176.4	-176	175.7	-77.1	118.7	-2.4	113.5	Y231 D232 C235 P236 A238 V240	Y231-R255 VanDerWaalsContact O-CZ 3.32Å; Y231-R255 PolarHBondContact O-NH1 2.98Å; Y231-R255 PolarHBondContact O-NH2 2.96Å; D232-R255 PolarHBondContact O-NH2 3.15Å; C235-R255 WeakPolarHBondContact O-CD 3.4Å; C235-R255 PolarHBondContact O-NH1 3.04Å; P236-R255 PolarHBondContact O-N 3.45Å; A238-R255 PolarHBondContact O-N 3.32Å; V240-R255 HydrophobicContact CG1-CB 4.1Å; V240-R255 HydrophobicContact CG1-CG 4.38Å; V240-R255 HydrophobicContact CG2-CB 4.17Å
256	N	92	Very high	89.6	Confident	90 Å²	90	75.4 Å²	75.4	48%	0.481	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-31.2	172.7	58.6	-2.3	0	0	0	114.1	P236 Q254	P236-N256 VanDerWaalsContact O-CB 3.3Å; P236-N256 WeakPolarHBondContact O-CB 3.38Å; P236-N256 PolarHBondContact O-N 2.93Å; P236-N256 PolarHBondContact O-OD1 3.11Å; Q254-N256 WeakPolarHBondContact CB-OD1 3.38Å; Q254-N256 PolarHBondContact O-N 3.23Å
257	E	91.4	Very high	89.7	Confident	68 Å²	68	78.6 Å²	78.6	32%	0.318	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-18.2	178.5	-66.5	-164.5	99	0	0	113.7	M253 Q254 A259 R260 H261	M253-E257 HydrophobicContact CB-CB 4.32Å; M253-E257 HydrophobicContact CG-CB 4.43Å; Q254-E257 HydrophobicContact CB-CG 4.27Å; Q254-E257 WeakPolarHBondContact O-CB 3.24Å; Q254-E257 PolarHBondContact O-N 3.43Å; E257-A259 PolarHBondContact O-N 2.93Å; E257-R260 WeakPolarHBondContact O-CA 3.5Å; E257-R260 WeakPolarHBondContact O-CB 3.06Å; E257-R260 PolarHBondContact O-N 2.9Å; E257-R260 IonicContact OE1-CZ 2.91Å; E257-R260 IonicContact OE1-NE 3.68Å; E257-R260 IonicContact OE1-NH2 3.33Å; E257-R260 PolarHBondContact OE1-NH2 2.86Å; E257-H261 PolarHBondContact O-N 3.02Å
258	L	89.9	Confident	89.7	Confident	15 Å²	15	78.6 Å²	78.6	8%	0.079	41%	0.406	C	S	.	.	H	α-helix	trans	-55.5	-38.2	-174.9	179.8	59.4	0	0	0	112.6	V240 F243 M253 Q254 M262	V240-L258 HydrophobicContact CG2-CB 4.27Å; V240-L258 HydrophobicContact CG2-CD2 3.94Å; F243-L258 HydrophobicContact CD1-CD2 4.37Å; F243-L258 HydrophobicContact CD2-CD2 4.39Å; F243-L258 HydrophobicContact CE1-CD2 3.81Å; F243-L258 HydrophobicContact CE2-CD2 3.83Å; F243-L258 HydrophobicContact CE2-CG 4.23Å; F243-L258 HydrophobicContact CZ-CD2 3.51Å; F243-L258 HydrophobicContact CZ-CG 4.39Å; M253-L258 HydrophobicContact CE-CD1 4.49Å; M253-L258 HydrophobicContact CG-CB 4.24Å; M253-L258 HydrophobicContact CG-CD1 4.4Å; M253-L258 HydrophobicContact SD-CB 4.28Å; M253-L258 HydrophobicContact SD-CD1 3.62Å; Q254-L258 PolarHBondContact O-N 3.32Å; L258-M262 HydrophobicContact CD1-CE 4.27Å; L258-M262 HydrophobicContact CD1-CG 4.23Å; L258-M262 HydrophobicContact CG-CG 4.47Å; L258-M262 WeakPolarHBondContact O-CB 3.42Å; L258-M262 WeakPolarHBondContact O-CG 3.29Å; L258-M262 PolarHBondContact O-N 3.19Å
259	A	89.2	Confident	89.9	Confident	73 Å²	73	76.1 Å²	76.1	60%	0.603	38%	0.38	S	S	*	.	H	α-helix	trans	-63.7	-41.1	175.6	0	0	0	0	0	112.7	E257 M262 Q263	E257-A259 PolarHBondContact O-N 2.93Å; A259-M262 PolarHBondContact O-N 2.86Å; A259-Q263 PolarHBondContact O-N 2.76Å
260	R	91.5	Very high	89.7	Confident	118 Å²	118	80.1 Å²	80.1	45%	0.445	40%	0.399	S	S	.	.	H	α-helix	trans	-65.1	-48.4	177.4	-178.9	-178.7	69.4	74.6	-1.5	111	E257 Q263 E264	E257-R260 WeakPolarHBondContact O-CA 3.5Å; E257-R260 WeakPolarHBondContact O-CB 3.06Å; E257-R260 PolarHBondContact O-N 2.9Å; E257-R260 IonicContact OE1-CZ 2.91Å; E257-R260 IonicContact OE1-NE 3.68Å; E257-R260 IonicContact OE1-NH2 3.33Å; E257-R260 PolarHBondContact OE1-NH2 2.86Å; R260-Q263 PolarHBondContact O-N 2.6Å; R260-E264 WeakPolarHBondContact CD-OE1 3.33Å; R260-E264 HydrophobicContact CG-CG 4.43Å; R260-E264 WeakPolarHBondContact CG-OE1 3.33Å; R260-E264 IonicContact CZ-OE1 3.79Å; R260-E264 IonicContact NH1-OE1 2.79Å; R260-E264 PolarHBondContact NH1-OE1 3.02Å; R260-E264 IonicContact NH1-OE2 3.24Å; R260-E264 PolarHBondContact NH1-OE2 3.14Å; R260-E264 WeakPolarHBondContact O-CB 3.27Å; R260-E264 WeakPolarHBondContact O-CG 3.31Å; R260-E264 PolarHBondContact O-N 3.16Å
261	H	90.1	Very high	89.5	Confident	14 Å²	14	83 Å²	83	7%	0.065	40%	0.396	C	S	.	.	H	α-helix	trans	-62.4	-42.2	175.9	165.8	78	0	0	0	112.4	C242 M253 E257 Q263 F265 H269	C242-H261 PolarHBondContact SG-NE2 3.21Å; M253-H261 HydrophobicContact SD-CB 3.47Å; M253-H261 WeakPolarHBondContact SD-CB 3.47Å; M253-H261 PolarHBondContact SD-CD2 3.19Å; E257-H261 PolarHBondContact O-N 3.02Å; H261-Q263 VanDerWaalsContact C-N 3.3Å; H261-Q263 PolarHBondContact O-N 3.49Å; H261-F265 AromaticContact CE1-CD2 3.98Å; H261-F265 AromaticContact ND1-CD2 3.31Å; H261-F265 VanDerWaalsContact ND1-CD2 3.31Å; H261-F265 WeakPolarHBondContact ND1-CD2 3.3Å; H261-F265 AromaticContact ND1-CE2 3.83Å; H261-F265 AromaticContact ND1-CG 3.84Å; H261-F265 WeakPolarHBondContact O-CB 3.3Å; H261-F265 WeakPolarHBondContact O-CD2 3.45Å; H261-F265 PolarHBondContact O-N 2.82Å; H261-H269 AromaticContact CD2-CE1 3.84Å; H261-H269 AromaticContact CE1-CE1 3.6Å; H261-H269 AromaticContact CE1-NE2 3.7Å; H261-H269 AromaticContact NE2-CE1 3.21Å; H261-H269 PolarHBondContact NE2-CE1 3.24Å; H261-H269 AromaticContact NE2-NE2 3.36Å; H261-H269 PolarHBondContact NE2-NE2 3.16Å
262	M	89.2	Confident	89.3	Confident	33 Å²	33	80.3 Å²	80.3	16%	0.163	38%	0.384	C	S	.	.	H	α-helix	trans	-55.9	-45.8	173.6	-78.2	-64.9	100.7	0	0	111.6	C242 F243 Y244 L258 A259 T266 H269	C242-M262 WeakPolarHBondContact SG-CE 3.32Å; F243-M262 HydrophobicContact CB-SD 4.27Å; F243-M262 HydrophobicContact CD2-CG 4.06Å; F243-M262 HydrophobicContact CD2-SD 3.78Å; F243-M262 HydrophobicContact CE2-CG 4.46Å; F243-M262 HydrophobicContact CG-SD 4.47Å; Y244-M262 HydrophobicContact CD2-CE 3.97Å; Y244-M262 HydrophobicContact CD2-SD 3.92Å; Y244-M262 HydrophobicContact CE2-CE 4.45Å; Y244-M262 HydrophobicContact CE2-SD 3.83Å; L258-M262 HydrophobicContact CD1-CE 4.27Å; L258-M262 HydrophobicContact CD1-CG 4.23Å; L258-M262 HydrophobicContact CG-CG 4.47Å; L258-M262 WeakPolarHBondContact O-CB 3.42Å; L258-M262 WeakPolarHBondContact O-CG 3.29Å; L258-M262 PolarHBondContact O-N 3.19Å; A259-M262 PolarHBondContact O-N 2.86Å; M262-T266 PolarHBondContact O-N 2.64Å; M262-T266 PolarHBondContact O-OG1 3.35Å; M262-H269 WeakPolarHBondContact CE-CE1 3.39Å
263	Q	90.2	Very high	88.9	Confident	155 Å²	155	74.9 Å²	74.9	72%	0.724	36%	0.362	S	S	*	.	H	α-helix	trans	-65.9	-55.8	178.2	-172.8	175.4	0.7	0	0	112.1	A259 R260 H261 F265 T266	A259-Q263 PolarHBondContact O-N 2.76Å; R260-Q263 PolarHBondContact O-N 2.6Å; H261-Q263 VanDerWaalsContact C-N 3.3Å; H261-Q263 PolarHBondContact O-N 3.49Å; Q263-F265 PolarHBondContact O-N 3.04Å; Q263-T266 PolarHBondContact O-N 2.92Å; Q263-T266 PolarHBondContact O-OG1 2.97Å
264	E	89.9	Confident	88.4	Confident	110 Å²	110	76.1 Å²	76.1	51%	0.514	38%	0.375	S	S	.	.	H	α-helix	trans	-57.9	-44.1	-177.6	-74.2	171.2	-166.9	0	0	112.6	R260	R260-E264 WeakPolarHBondContact CD-OE1 3.33Å; R260-E264 HydrophobicContact CG-CG 4.43Å; R260-E264 WeakPolarHBondContact CG-OE1 3.33Å; R260-E264 IonicContact CZ-OE1 3.79Å; R260-E264 IonicContact NH1-OE1 2.79Å; R260-E264 PolarHBondContact NH1-OE1 3.02Å; R260-E264 IonicContact NH1-OE2 3.24Å; R260-E264 PolarHBondContact NH1-OE2 3.14Å; R260-E264 WeakPolarHBondContact O-CB 3.27Å; R260-E264 WeakPolarHBondContact O-CG 3.31Å; R260-E264 PolarHBondContact O-N 3.16Å
265	F	87.7	Confident	87.7	Confident	90 Å²	90	76.9 Å²	76.9	40%	0.395	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	10.6	-173.1	-65.1	-95.7	0	0	0	113.6	H261 Q263 Q267 V268 H269	H261-F265 AromaticContact CE1-CD2 3.98Å; H261-F265 AromaticContact ND1-CD2 3.31Å; H261-F265 VanDerWaalsContact ND1-CD2 3.31Å; H261-F265 WeakPolarHBondContact ND1-CD2 3.3Å; H261-F265 AromaticContact ND1-CE2 3.83Å; H261-F265 AromaticContact ND1-CG 3.84Å; H261-F265 WeakPolarHBondContact O-CB 3.3Å; H261-F265 WeakPolarHBondContact O-CD2 3.45Å; H261-F265 PolarHBondContact O-N 2.82Å; Q263-F265 PolarHBondContact O-N 3.04Å; F265-Q267 PolarHBondContact O-N 3.05Å; F265-V268 HydrophobicContact CD1-CG2 4.4Å; F265-V268 WeakPolarHBondContact O-CA 3.48Å; F265-V268 WeakPolarHBondContact O-CB 3.3Å; F265-V268 PolarHBondContact O-N 2.93Å; F265-H269 VanDerWaalsContact CB-CE1 3.43Å; F265-H269 WeakPolarHBondContact CB-CE1 3.49Å; F265-H269 PolarHBondContact O-N 3.25Å; F265-H269 PolarHBondContact O-ND1 2.62Å
266	T	88.6	Confident	86.8	Confident	67 Å²	67	75.3 Å²	75.3	41%	0.411	38%	0.378	S	S	.	.	H	α-helix	trans	-43	-46.6	-179.7	-57.5	0	0	0	0	112.8	M262 Q263 V268 H269 M270	M262-T266 PolarHBondContact O-N 2.64Å; M262-T266 PolarHBondContact O-OG1 3.35Å; Q263-T266 PolarHBondContact O-N 2.92Å; Q263-T266 PolarHBondContact O-OG1 2.97Å; T266-V268 PolarHBondContact O-N 3.24Å; T266-H269 PolarHBondContact O-N 2.85Å; T266-M270 HydrophobicContact CG2-CG 4.22Å; T266-M270 WeakPolarHBondContact O-CB 3.17Å; T266-M270 WeakPolarHBondContact O-CG 3.48Å; T266-M270 PolarHBondContact O-N 3.38Å
267	Q	86.8	Confident	85.6	Confident	161 Å²	161	76.1 Å²	76.1	75%	0.752	38%	0.377	S	S	*	.	H	α-helix	trans	-70.5	-30.1	-177	-60.9	-173	36.7	0	0	113.5	F265 R271	F265-Q267 PolarHBondContact O-N 3.05Å; Q267-R271 WeakPolarHBondContact O-CB 3.34Å; Q267-R271 PolarHBondContact O-N 3.11Å; Q267-R271 VanDerWaalsContact O-N 3.14Å
268	V	85.8	Confident	84	Confident	69 Å²	69	79.6 Å²	79.6	42%	0.418	39%	0.393	S	S	.	.	H	α-helix	trans	-73.9	-46.6	176.1	-176.9	0	0	0	0	109.4	F265 T266 M270 R271 M272	F265-V268 HydrophobicContact CD1-CG2 4.4Å; F265-V268 WeakPolarHBondContact O-CA 3.48Å; F265-V268 WeakPolarHBondContact O-CB 3.3Å; F265-V268 PolarHBondContact O-N 2.93Å; T266-V268 PolarHBondContact O-N 3.24Å; V268-M270 PolarHBondContact O-N 3.45Å; V268-R271 WeakPolarHBondContact O-CB 3.36Å; V268-R271 PolarHBondContact O-N 2.82Å; V268-R271 VanDerWaalsContact O-N 3.1Å; V268-M272 HydrophobicContact CG1-CE 4.31Å; V268-M272 HydrophobicContact CG1-SD 4.24Å; V268-M272 PolarHBondContact O-N 2.93Å
269	H	90.3	Very high	82.3	Confident	2 Å²	2	85.7 Å²	85.7	1%	0.009	43%	0.426	C	S	.	.	H	α-helix	trans	-60.2	-44.3	175.5	-65.3	142.7	0	0	0	112.7	C242 Y244 C249 H261 M262 F265 T266 R271 M272 M273	C242-H269 PolarHBondContact SG-NE2 3.28Å; Y244-H269 HydrophobicContact CD1-CB 3.66Å; Y244-H269 HydrophobicContact CD2-CB 3.74Å; Y244-H269 AromaticContact CD2-CG 3.74Å; Y244-H269 HydrophobicContact CE1-CB 3.78Å; Y244-H269 HydrophobicContact CE2-CB 3.88Å; Y244-H269 HydrophobicContact CG-CB 3.64Å; Y244-H269 AromaticContact CG-CD2 3.93Å; Y244-H269 AromaticContact CG-CG 3.8Å; C249-H269 PolarHBondContact SG-NE2 3.02Å; C249-H269 VanDerWaalsContact SG-NE2 3.37Å; H261-H269 AromaticContact CD2-CE1 3.84Å; H261-H269 AromaticContact CE1-CE1 3.6Å; H261-H269 AromaticContact CE1-NE2 3.7Å; H261-H269 AromaticContact NE2-CE1 3.21Å; H261-H269 PolarHBondContact NE2-CE1 3.24Å; H261-H269 AromaticContact NE2-NE2 3.36Å; H261-H269 PolarHBondContact NE2-NE2 3.16Å; M262-H269 WeakPolarHBondContact CE-CE1 3.39Å; F265-H269 VanDerWaalsContact CB-CE1 3.43Å; F265-H269 WeakPolarHBondContact CB-CE1 3.49Å; F265-H269 PolarHBondContact O-N 3.25Å; F265-H269 PolarHBondContact O-ND1 2.62Å; T266-H269 PolarHBondContact O-N 2.85Å; H269-R271 VanDerWaalsContact C-N 3.3Å; H269-R271 PolarHBondContact O-N 3.25Å; H269-M272 PolarHBondContact O-N 3.15Å; H269-M273 VanDerWaalsContact O-CB 3.27Å; H269-M273 WeakPolarHBondContact O-CB 3.38Å; H269-M273 PolarHBondContact O-N 3.18Å
270	M	86.1	Confident	80.6	Confident	92 Å²	92	87.6 Å²	87.6	45%	0.453	43%	0.425	S	S	.	.	H	α-helix	trans	-62.5	-34.7	173.3	-71.5	-87.9	82.8	0	0	112.4	Y244 T266 V268 M273 A274	Y244-M270 HydrophobicContact CE1-CE 4.5Å; T266-M270 HydrophobicContact CG2-CG 4.22Å; T266-M270 WeakPolarHBondContact O-CB 3.17Å; T266-M270 WeakPolarHBondContact O-CG 3.48Å; T266-M270 PolarHBondContact O-N 3.38Å; V268-M270 PolarHBondContact O-N 3.45Å; M270-M273 HydrophobicContact CE-SD 3.52Å; M270-M273 VanDerWaalsContact CE-SD 3.52Å; M270-A274 WeakPolarHBondContact O-CB 3.37Å; M270-A274 PolarHBondContact O-N 2.89Å
271	R	84.1	Confident	78.2	Confident	164 Å²	164	87.2 Å²	87.2	62%	0.619	43%	0.428	S	S	*	.	H	α-helix	trans	-70.2	-46.2	174.9	-172.7	-176.7	-60.9	167.6	3.1	112	Q267 V268 H269 A274 Q275	Q267-R271 WeakPolarHBondContact O-CB 3.34Å; Q267-R271 PolarHBondContact O-N 3.11Å; Q267-R271 VanDerWaalsContact O-N 3.14Å; V268-R271 WeakPolarHBondContact O-CB 3.36Å; V268-R271 PolarHBondContact O-N 2.82Å; V268-R271 VanDerWaalsContact O-N 3.1Å; H269-R271 VanDerWaalsContact C-N 3.3Å; H269-R271 PolarHBondContact O-N 3.25Å; R271-A274 PolarHBondContact O-N 2.94Å; R271-Q275 WeakPolarHBondContact O-CB 3.44Å; R271-Q275 VanDerWaalsContact O-CG 3.29Å; R271-Q275 WeakPolarHBondContact O-CG 3.22Å; R271-Q275 PolarHBondContact O-N 3.49Å; R271-Q275 PolarHBondContact O-OE1 2.87Å
272	M	85.5	Confident	76	Confident	43 Å²	43	92.8 Å²	92.8	21%	0.212	46%	0.462	C	S	.	.	H	α-helix	trans	-57.7	-51.6	175.4	-74.8	170.1	158.9	0	0	110.7	F247 C249 V268 H269 A274 Q275 S276	F247-M272 HydrophobicContact CB-CB 4.38Å; C249-M272 HydrophobicContact CB-SD 4Å; V268-M272 HydrophobicContact CG1-CE 4.31Å; V268-M272 HydrophobicContact CG1-SD 4.24Å; V268-M272 PolarHBondContact O-N 2.93Å; H269-M272 PolarHBondContact O-N 3.15Å; M272-A274 VanDerWaalsContact C-N 3.35Å; M272-A274 PolarHBondContact O-N 3.1Å; M272-Q275 PolarHBondContact O-N 2.95Å; M272-Q275 VanDerWaalsContact O-N 3.14Å; M272-S276 PolarHBondContact O-N 2.82Å; M272-S276 PolarHBondContact O-OG 3.5Å; M272-S276 VanDerWaalsContact O-OG 3.11Å
273	M	84.6	Confident	73.7	Confident	41 Å²	41	96.4 Å²	96.4	20%	0.202	49%	0.487	C	S	.	.	H	α-helix	trans	-58	-43.5	175.3	176.4	177.4	-88.2	0	0	112.1	Y244 F247 H269 M270 Q275 S276 F277	Y244-M273 HydrophobicContact CD1-CB 4.21Å; Y244-M273 HydrophobicContact CD1-CE 4.19Å; Y244-M273 HydrophobicContact CE1-CB 3.99Å; Y244-M273 HydrophobicContact CE1-CE 3.49Å; Y244-M273 VanDerWaalsContact CE1-CE 3.49Å; Y244-M273 HydrophobicContact CE1-SD 3.97Å; F247-M273 HydrophobicContact CD2-CE 4.18Å; F247-M273 HydrophobicContact CE2-CE 3.46Å; F247-M273 VanDerWaalsContact CE2-CE 3.46Å; F247-M273 HydrophobicContact CZ-CE 3.79Å; H269-M273 VanDerWaalsContact O-CB 3.27Å; H269-M273 WeakPolarHBondContact O-CB 3.38Å; H269-M273 PolarHBondContact O-N 3.18Å; M270-M273 HydrophobicContact CE-SD 3.52Å; M270-M273 VanDerWaalsContact CE-SD 3.52Å; M273-Q275 PolarHBondContact O-N 2.71Å; M273-S276 PolarHBondContact O-N 2.64Å; M273-F277 HydrophobicContact CG-CD2 3.61Å; M273-F277 HydrophobicContact CG-CE2 3.41Å; M273-F277 VanDerWaalsContact CG-CE2 3.41Å; M273-F277 WeakPolarHBondContact O-CD2 3.49Å; M273-F277 PolarHBondContact O-N 3.49Å; M273-F277 HydrophobicContact SD-CE2 3.96Å
274	A	80.3	Confident	71	Confident	47 Å²	47	94.2 Å²	94.2	39%	0.388	50%	0.495	S	S	.	.	H	α-helix	trans	-65.7	-35.3	176.5	0	0	0	0	0	112.9	M270 R271 M272 F277 Q278	M270-A274 WeakPolarHBondContact O-CB 3.37Å; M270-A274 PolarHBondContact O-N 2.89Å; R271-A274 PolarHBondContact O-N 2.94Å; M272-A274 VanDerWaalsContact C-N 3.35Å; M272-A274 PolarHBondContact O-N 3.1Å; A274-F277 PolarHBondContact O-N 2.73Å; A274-Q278 WeakPolarHBondContact O-CB 3.41Å; A274-Q278 VanDerWaalsContact O-CG 3.25Å; A274-Q278 WeakPolarHBondContact O-CG 3.47Å; A274-Q278 PolarHBondContact O-N 3.34Å
275	Q	78.4	Confident	68.5	Low	100 Å²	100	93.2 Å²	93.2	47%	0.467	51%	0.506	S	S	.	.	H	α-helix	trans	-68.8	-41.1	173.8	-72.8	169.7	-43.7	0	0	111.3	R271 M272 M273 F277 Q278 N279	R271-Q275 WeakPolarHBondContact O-CB 3.44Å; R271-Q275 VanDerWaalsContact O-CG 3.29Å; R271-Q275 WeakPolarHBondContact O-CG 3.22Å; R271-Q275 PolarHBondContact O-N 3.49Å; R271-Q275 PolarHBondContact O-OE1 2.87Å; M272-Q275 PolarHBondContact O-N 2.95Å; M272-Q275 VanDerWaalsContact O-N 3.14Å; M273-Q275 PolarHBondContact O-N 2.71Å; Q275-F277 VanDerWaalsContact C-N 3.34Å; Q275-F277 PolarHBondContact O-N 2.85Å; Q275-Q278 PolarHBondContact O-N 2.84Å; Q275-N279 PolarHBondContact O-N 3.32Å; Q275-N279 PolarHBondContact O-ND2 3.03Å
276	S	71.8	Confident	65.8	Low	30 Å²	30	97 Å²	97	21%	0.21	53%	0.53	C	S	.	.	H	α-helix	trans	-61.5	-40.6	171.6	-55.6	0	0	0	0	112	F247 M272 M273 N279 I280	F247-S276 WeakPolarHBondContact CD1-OG 3.23Å; M272-S276 PolarHBondContact O-N 2.82Å; M272-S276 PolarHBondContact O-OG 3.5Å; M272-S276 VanDerWaalsContact O-OG 3.11Å; M273-S276 PolarHBondContact O-N 2.64Å; S276-N279 PolarHBondContact O-N 2.85Å; S276-I280 WeakPolarHBondContact O-CD1 3.46Å; S276-I280 WeakPolarHBondContact O-CG1 3.4Å
277	F	65.3	Low	63.1	Low	106 Å²	106	104.9 Å²	104.9	47%	0.465	55%	0.552	S	S	.	*	H	α-helix	trans	-71.5	-33.7	175.2	-77.6	-55.9	0	0	0	113.5	M273 A274 Q275 N279 I280 H281	M273-F277 HydrophobicContact CG-CD2 3.61Å; M273-F277 HydrophobicContact CG-CE2 3.41Å; M273-F277 VanDerWaalsContact CG-CE2 3.41Å; M273-F277 WeakPolarHBondContact O-CD2 3.49Å; M273-F277 PolarHBondContact O-N 3.49Å; M273-F277 HydrophobicContact SD-CE2 3.96Å; A274-F277 PolarHBondContact O-N 2.73Å; Q275-F277 VanDerWaalsContact C-N 3.34Å; Q275-F277 PolarHBondContact O-N 2.85Å; F277-N279 PolarHBondContact O-N 2.89Å; F277-I280 CarbonylContact O-C 3.53Å; F277-I280 PolarHBondContact O-N 2.89Å; F277-H281 PolarHBondContact O-N 3.02Å; F277-H281 VanDerWaalsContact O-O 3.05Å
278	Q	59.6	Low	60.5	Low	142 Å²	142	103.4 Å²	103.4	66%	0.664	55%	0.554	S	S	*	*	H	α-helix	trans	-61.1	-27.1	171.9	-79.6	170.9	-8.6	0	0	112.7	A274 Q275 I280	A274-Q278 WeakPolarHBondContact O-CB 3.41Å; A274-Q278 VanDerWaalsContact O-CG 3.25Å; A274-Q278 WeakPolarHBondContact O-CG 3.47Å; A274-Q278 PolarHBondContact O-N 3.34Å; Q275-Q278 PolarHBondContact O-N 2.84Å; Q278-I280 VanDerWaalsContact C-N 3.32Å
279	N	53.1	Low	58.5	Low	143 Å²	143	105.2 Å²	105.2	77%	0.765	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-6.6	172.2	-66.3	-27	0	0	0	113.8	Q275 S276 F277	Q275-N279 PolarHBondContact O-N 3.32Å; Q275-N279 PolarHBondContact O-ND2 3.03Å; S276-N279 PolarHBondContact O-N 2.85Å; F277-N279 PolarHBondContact O-N 2.89Å
280	I	53.9	Low	55.6	Low	113 Å²	113	113 Å²	113	58%	0.579	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.5	-32	-174	-67.9	171.2	0	0	0	112	S276 F277 Q278	S276-I280 WeakPolarHBondContact O-CD1 3.46Å; S276-I280 WeakPolarHBondContact O-CG1 3.4Å; F277-I280 CarbonylContact O-C 3.53Å; F277-I280 PolarHBondContact O-N 2.89Å; Q278-I280 VanDerWaalsContact C-N 3.32Å
281	H	41.5	Very low	53	Low	110 Å²	110	116.4 Å²	116.4	51%	0.509	62%	0.619	S	S	.	*			trans	-146.9	140.5	173.6	-80.4	-57.4	0	0	0	109.7	F277 T283	F277-H281 PolarHBondContact O-N 3.02Å; F277-H281 VanDerWaalsContact O-O 3.05Å; H281-T283 PolarHBondContact ND1-OG1 3.27Å
282	V	44.1	Very low	50.4	Low	130 Å²	130	115.3 Å²	115.3	79%	0.788	63%	0.626	S	S	*	*	S	Bend	cis	47.1	78	9.7	-167.6	0	0	0	0	113.6
283	T	41.1	Very low	47.7	Very low	110 Å²	110	116.8 Å²	116.8	68%	0.675	65%	0.652	S	S	*	*	S	Bend	trans	108.8	150	171.1	67.9	0	0	0	0	116.7	H281	H281-T283 PolarHBondContact ND1-OG1 3.27Å
284	A	33.2	Very low	45.1	Very low	108 Å²	108	123 Å²	123	89%	0.893	69%	0.685	S	S	*	*			trans	63	126.6	-179.3	0	0	0	0	0	117.5
285	A	36.6	Very low	43.7	Very low	90 Å²	90	126.3 Å²	126.3	74%	0.744	70%	0.703	S	S	*	*			trans	-140.3	152.2	171.6	0	0	0	0	0	109.6
286	N	31.3	Very low	41.3	Very low	170 Å²	170	131.3 Å²	131.3	91%	0.909	72%	0.723	S	S	*	*			trans	-173.5	167.1	140.8	-97.8	-38.4	0	0	0	112.9
287	R	30.9	Very low	39.4	Very low	232 Å²	232	137.7 Å²	137.7	88%	0.875	75%	0.749	S	S	*	*			trans	-95.6	-177.2	176.7	-59.2	173	170.5	-177.4	-4.4	109.9
288	V	33.6	Very low	37.7	Very low	130 Å²	130	140.6 Å²	140.6	79%	0.788	76%	0.764	S	S	*	*			cis	-154.9	-165.6	27.4	-127.7	0	0	0	0	110.4
289	P	42.6	Very low	36.5	Very low	106 Å²	106	138.6 Å²	138.6	69%	0.688	76%	0.762	S	S	*	*			trans	-138.7	-177	-138.6	45.1	-23.5	0	0	0	120.5
290	F	29.5	Very low	36	Very low	167 Å²	167	139.3 Å²	139.3	73%	0.732	77%	0.765	S	S	*	*			trans	76.1	139.1	139.7	-123.3	-99.1	0	0	0	123.9
291	I	31.5	Very low	34.9	Very low	163 Å²	163	143.8 Å²	143.8	84%	0.836	78%	0.78	S	S	*	*				174	162.7	129.4	-91.3	166.1	0	0	0	113
292	N	29.1	Very low	34.4	Very low	141 Å²	141	143.8 Å²	143.8	75%	0.754	79%	0.793	S	S	*	*			trans	-128.8	164.7	-162.8	-79.2	-18.5	0	0	0	116.3
293	G	29.6	Very low	34.2	Very low	73 Å²	73	149.2 Å²	149.2	75%	0.753	80%	0.799	S	S	*	*			trans	110.1	158.5	153.3	0	0	0	0	0	117
294	L	30.9	Very low	33.7	Very low	173 Å²	173	151 Å²	151	91%	0.906	81%	0.81	S	S	*	*			cis	-161.8	164.3	-9.3	-96.6	170	0	0	0	109.5
295	P	50.5	Low	34	Very low	116 Å²	116	151.4 Å²	151.4	75%	0.753	81%	0.806	S	S	*	*			trans	-110.3	179.6	-174.4	41.3	-34.2	0	0	0	116.6
296	F	27.9	Very low	34	Very low	204 Å²	204	152.9 Å²	152.9	90%	0.895	81%	0.811	S	S	*	*			trans	-150.7	170.4	177.4	-141.5	-96.3	0	0	0	114.2
297	E	31.7	Very low	34.2	Very low	164 Å²	164	149 Å²	149	77%	0.766	80%	0.802	S	S	*	*			trans	-141.7	159.3	-164.9	-168.9	-174.3	-120.1	0	0	113.6
298	H	30.5	Very low	35	Very low	167 Å²	167	143.7 Å²	143.7	77%	0.773	80%	0.798	S	S	*	*			trans	-168.8	-172.7	155.3	-117.1	-60.1	0	0	0	116.7
299	T	33.2	Very low	35.4	Very low	100 Å²	100	148.3 Å²	148.3	61%	0.613	80%	0.803	S	S	*	*			trans	-146.4	145.7	-143.9	52.1	0	0	0	0	118.7
300	L	43.1	Very low	35.6	Very low	159 Å²	159	151.2 Å²	151.2	83%	0.832	81%	0.813	S	S	*	*			trans	56.2	146.2	141.5	-64.2	173.2	0	0	0	124.2
301	F	31	Very low	36.3	Very low	206 Å²	206	147.9 Å²	147.9	90%	0.904	81%	0.809	S	S	*	*			trans	-155.8	-172	154	-115.7	-77.7	0	0	0	113.5
302	S	30.9	Very low	37.4	Very low	110 Å²	110	145.1 Å²	145.1	77%	0.769	80%	0.796	S	S	*	*			trans	-130	170.7	-137	-62	0	0	0	0	120.5
303	R	40	Very low	39.1	Very low	244 Å²	244	143 Å²	143	92%	0.921	79%	0.79	S	S	*	*			trans	-56.9	159.5	176.6	-74.4	172.9	159.9	-179.6	-5.6	118.1
304	V	30.1	Very low	40.7	Very low	148 Å²	148	146.4 Å²	146.4	90%	0.897	79%	0.786	S	S	*	*			trans	-142.9	158.6	135.9	-175.5	0	0	0	0	110.1
305	S	39.1	Very low	42.4	Very low	116 Å²	116	142.3 Å²	142.3	81%	0.811	77%	0.768	S	S	*	*			trans	-156.3	161.8	169.8	-170.7	0	0	0	0	111.7
306	S	36.6	Very low	43.3	Very low	121 Å²	121	139.8 Å²	139.8	85%	0.846	75%	0.746	S	S	*	*			trans	-147.7	171.7	179.7	58.8	0	0	0	0	113.1
307	A	35.5	Very low	45.6	Very low	88 Å²	88	134.8 Å²	134.8	73%	0.727	73%	0.729	S	S	*	*			trans	-122.7	164.1	-162.8	0	0	0	0	0	114.7
308	P	47.6	Very low	47.8	Very low	122 Å²	122	134 Å²	134	79%	0.792	72%	0.723	S	S	*	*			trans	-102.4	180	-167.7	40.7	-36.4	0	0	0	115.6
309	Y	41.5	Very low	50	Low	227 Å²	227	130.4 Å²	130.4	89%	0.89	71%	0.705	S	S	*	*			trans	-129	154.7	174.1	-68.5	-86.7	0	0	0	111.6
310	D	47.1	Very low	52.2	Low	167 Å²	167	131.6 Å²	131.6	89%	0.893	70%	0.704	S	S	*	*			trans	-73.6	164.5	-178.8	-75.1	-56.3	0	0	0	115
311	C	44.3	Very low	54.2	Low	97 Å²	97	127.1 Å²	127.1	66%	0.655	68%	0.683	S	S	*	*			trans	-136.2	156.5	175.4	-82.6	0	0	0	0	113.1
312	N	54.8	Low	56.7	Low	105 Å²	105	121.6 Å²	121.6	56%	0.561	66%	0.662	S	S	*	*			trans	-84.1	132.8	-168.8	-156.1	38.5	0	0	0	111.6	E314 V315 E316	N312-E314 PolarHBondContact O-N 3.43Å; N312-V315 HydrophobicContact CB-CG2 4.26Å; N312-V315 WeakPolarHBondContact O-CB 3.24Å; N312-V315 PolarHBondContact O-N 3.18Å; N312-E316 PolarHBondContact O-N 3.12Å
313	P	64.9	Low	59.2	Low	97 Å²	97	121.9 Å²	121.9	63%	0.63	65%	0.651	S	S	*	*	H	α-helix	trans	-67.1	-28.6	-163.5	23.9	-34.6	0	0	0	115.4	V315 E316 N317	P313-V315 VanDerWaalsContact C-N 3.31Å; P313-E316 PolarHBondContact O-N 2.75Å; P313-N317 PolarHBondContact O-N 2.78Å; P313-N317 VanDerWaalsContact O-N 3.08Å
314	E	63	Low	61.5	Low	144 Å²	144	116.9 Å²	116.9	67%	0.673	64%	0.639	S	S	*	*	H	α-helix	trans	-66.8	-34.8	174.5	-63.2	-179.7	149.5	0	0	111.8	N312 N317 F318	N312-E314 PolarHBondContact O-N 3.43Å; E314-N317 PolarHBondContact O-N 2.84Å; E314-F318 VanDerWaalsContact O-CD2 3.27Å; E314-F318 WeakPolarHBondContact O-CD2 3.48Å; E314-F318 PolarHBondContact O-N 3.19Å; E314-F318 VanDerWaalsContact O-N 3.13Å
315	V	67.4	Low	64.3	Low	87 Å²	87	114.4 Å²	114.4	53%	0.527	62%	0.62	S	S	.	*	H	α-helix	trans	-70.5	-39.3	178.6	-178.5	0	0	0	0	110.4	N312 P313 F318 K319	N312-V315 HydrophobicContact CB-CG2 4.26Å; N312-V315 WeakPolarHBondContact O-CB 3.24Å; N312-V315 PolarHBondContact O-N 3.18Å; P313-V315 VanDerWaalsContact C-N 3.31Å; V315-F318 PolarHBondContact O-N 2.94Å; V315-K319 WeakPolarHBondContact O-CB 3.3Å; V315-K319 PolarHBondContact O-N 3.04Å
316	E	68.3	Low	66.6	Low	62 Å²	62	114 Å²	114	29%	0.29	61%	0.605	S	S	.	*	H	α-helix	trans	-64.2	-39.4	173	-69.9	-60.6	143.8	0	0	112	N312 P313 F318 K319 E320	N312-E316 PolarHBondContact O-N 3.12Å; P313-E316 PolarHBondContact O-N 2.75Å; E316-F318 PolarHBondContact O-N 3.07Å; E316-K319 CarbonylContact O-C 3.58Å; E316-K319 WeakPolarHBondContact O-CB 3.45Å; E316-K319 PolarHBondContact O-N 2.74Å; E316-K319 IonicContact OE1-NZ 3.78Å; E316-K319 PolarHBondContact OE1-NZ 2.88Å; E316-K319 IonicContact OE2-NZ 2.86Å; E316-K319 PolarHBondContact OE2-NZ 3.14Å; E316-E320 WeakPolarHBondContact O-CG 3.31Å; E316-E320 PolarHBondContact O-N 3.49Å
317	N	76.3	Confident	69	Low	99 Å²	99	109.4 Å²	109.4	53%	0.529	58%	0.577	S	S	.	*	H	α-helix	trans	-62.9	-43.8	176.2	-169.2	-53.4	0	0	0	112.7	P313 E314 K319 T321	P313-N317 PolarHBondContact O-N 2.78Å; P313-N317 VanDerWaalsContact O-N 3.08Å; E314-N317 PolarHBondContact O-N 2.84Å; N317-K319 VanDerWaalsContact C-N 3.33Å; N317-K319 PolarHBondContact O-N 2.82Å; N317-T321 WeakPolarHBondContact O-CB 3.27Å; N317-T321 PolarHBondContact O-N 2.64Å; N317-T321 PolarHBondContact O-OG1 2.93Å
318	F	78.7	Confident	71.8	Confident	148 Å²	148	111.5 Å²	111.5	65%	0.649	57%	0.566	S	S	*	*	H	α-helix	trans	-63.6	-38.7	172.7	-82	-66.8	0	0	0	112.3	E314 V315 E316 T321 I322	E314-F318 VanDerWaalsContact O-CD2 3.27Å; E314-F318 WeakPolarHBondContact O-CD2 3.48Å; E314-F318 PolarHBondContact O-N 3.19Å; E314-F318 VanDerWaalsContact O-N 3.13Å; V315-F318 PolarHBondContact O-N 2.94Å; E316-F318 PolarHBondContact O-N 3.07Å; F318-T321 WeakPolarHBondContact O-CB 3.45Å; F318-T321 PolarHBondContact O-N 2.9Å; F318-I322 VanDerWaalsContact O-CG1 3.26Å; F318-I322 WeakPolarHBondContact O-CG1 3.34Å; F318-I322 PolarHBondContact O-N 3.14Å
319	K	76.1	Confident	73.8	Confident	91 Å²	91	111.4 Å²	111.4	40%	0.396	56%	0.558	S	S	.	*	H	α-helix	trans	-67.2	-42.2	178.1	175.3	177.6	160.7	-134.5	0	112.5	V315 E316 N317 I322 Q323	V315-K319 WeakPolarHBondContact O-CB 3.3Å; V315-K319 PolarHBondContact O-N 3.04Å; E316-K319 CarbonylContact O-C 3.58Å; E316-K319 WeakPolarHBondContact O-CB 3.45Å; E316-K319 PolarHBondContact O-N 2.74Å; E316-K319 IonicContact OE1-NZ 3.78Å; E316-K319 PolarHBondContact OE1-NZ 2.88Å; E316-K319 IonicContact OE2-NZ 2.86Å; E316-K319 PolarHBondContact OE2-NZ 3.14Å; N317-K319 VanDerWaalsContact C-N 3.33Å; N317-K319 PolarHBondContact O-N 2.82Å; K319-I322 PolarHBondContact O-N 3.23Å; K319-Q323 WeakPolarHBondContact O-CG 3.49Å; K319-Q323 PolarHBondContact O-N 3.43Å
320	E	79.2	Confident	76.3	Confident	125 Å²	125	105 Å²	105	58%	0.584	54%	0.542	S	S	*	.	H	α-helix	trans	-60.3	-44.3	169.6	-74.7	-174.9	160.7	0	0	111.3	E316 I322 Q323 Q324	E316-E320 WeakPolarHBondContact O-CG 3.31Å; E316-E320 PolarHBondContact O-N 3.49Å; E320-I322 PolarHBondContact O-N 2.72Å; E320-Q323 PolarHBondContact O-N 2.86Å; E320-Q324 WeakPolarHBondContact O-CB 3.23Å; E320-Q324 PolarHBondContact O-N 2.81Å
321	T	85.1	Confident	78.3	Confident	65 Å²	65	104.2 Å²	104.2	40%	0.399	53%	0.527	S	S	.	.	H	α-helix	trans	-62	-42.4	177.8	-60.4	0	0	0	0	111.7	N317 F318 Q324 L325	N317-T321 WeakPolarHBondContact O-CB 3.27Å; N317-T321 PolarHBondContact O-N 2.64Å; N317-T321 PolarHBondContact O-OG1 2.93Å; F318-T321 WeakPolarHBondContact O-CB 3.45Å; F318-T321 PolarHBondContact O-N 2.9Å; T321-Q324 PolarHBondContact O-N 2.86Å; T321-L325 HydrophobicContact CG2-CD1 4.36Å; T321-L325 WeakPolarHBondContact O-CG 3.25Å; T321-L325 PolarHBondContact O-N 3.2Å
322	I	84.4	Confident	80.6	Confident	90 Å²	90	104.4 Å²	104.4	46%	0.462	52%	0.518	S	S	.	.	H	α-helix	trans	-62	-51.3	175	-72.2	163.1	0	0	0	110.3	F318 K319 E320 Q324 L325 E326	F318-I322 VanDerWaalsContact O-CG1 3.26Å; F318-I322 WeakPolarHBondContact O-CG1 3.34Å; F318-I322 PolarHBondContact O-N 3.14Å; K319-I322 PolarHBondContact O-N 3.23Å; E320-I322 PolarHBondContact O-N 2.72Å; I322-Q324 PolarHBondContact O-N 3.23Å; I322-L325 CarbonylContact O-C 3.56Å; I322-L325 PolarHBondContact O-N 2.98Å; I322-E326 HydrophobicContact CG2-CG 4.2Å; I322-E326 WeakPolarHBondContact O-CG 3.47Å; I322-E326 PolarHBondContact O-N 2.86Å
323	Q	84.3	Confident	82.3	Confident	116 Å²	116	102.6 Å²	102.6	54%	0.542	51%	0.508	S	S	.	.	H	α-helix	trans	-58.3	-35.6	177	-72.9	179.7	-4.7	0	0	112.6	K319 E320 G327	K319-Q323 WeakPolarHBondContact O-CG 3.49Å; K319-Q323 PolarHBondContact O-N 3.43Å; E320-Q323 PolarHBondContact O-N 2.86Å; Q323-G327 PolarHBondContact O-N 3Å
324	Q	87.9	Confident	83.6	Confident	140 Å²	140	103 Å²	103	65%	0.654	50%	0.502	S	S	*	.	H	α-helix	trans	-70.9	-33.1	177.2	-155.8	-176.6	97.8	0	0	112.4	E320 T321 I322 R328	E320-Q324 WeakPolarHBondContact O-CB 3.23Å; E320-Q324 PolarHBondContact O-N 2.81Å; T321-Q324 PolarHBondContact O-N 2.86Å; I322-Q324 PolarHBondContact O-N 3.23Å; Q324-R328 WeakPolarHBondContact O-CG 3.31Å; Q324-R328 PolarHBondContact O-N 2.73Å
325	L	87.4	Confident	85.1	Confident	96 Å²	96	101.9 Å²	101.9	50%	0.503	50%	0.496	S	S	.	.	H	α-helix	trans	-74.5	-43.4	172.7	-71.7	172.8	0	0	0	112.2	T321 I322 G327 R328 L329	T321-L325 HydrophobicContact CG2-CD1 4.36Å; T321-L325 WeakPolarHBondContact O-CG 3.25Å; T321-L325 PolarHBondContact O-N 3.2Å; I322-L325 CarbonylContact O-C 3.56Å; I322-L325 PolarHBondContact O-N 2.98Å; L325-G327 VanDerWaalsContact C-N 3.35Å; L325-G327 PolarHBondContact O-N 2.88Å; L325-R328 WeakPolarHBondContact O-CA 3.4Å; L325-R328 WeakPolarHBondContact O-CB 3.38Å; L325-R328 PolarHBondContact O-N 2.81Å; L325-R328 VanDerWaalsContact O-N 3.08Å; L325-L329 PolarHBondContact O-N 2.99Å
326	E	87.5	Confident	86.4	Confident	108 Å²	108	102.3 Å²	102.3	51%	0.505	50%	0.495	S	S	.	.	H	α-helix	trans	-57.6	-47.5	172.6	-70.4	173	154.1	0	0	110.7	I322 R328 L329 V330	I322-E326 HydrophobicContact CG2-CG 4.2Å; I322-E326 WeakPolarHBondContact O-CG 3.47Å; I322-E326 PolarHBondContact O-N 2.86Å; E326-R328 PolarHBondContact O-N 2.87Å; E326-L329 WeakPolarHBondContact O-CB 3.1Å; E326-L329 PolarHBondContact O-N 3.48Å; E326-L329 VanDerWaalsContact O-N 3.09Å; E326-V330 WeakPolarHBondContact O-CG2 3.36Å; E326-V330 PolarHBondContact O-N 2.91Å
327	G	88.8	Confident	87.6	Confident	24 Å²	24	105.6 Å²	105.6	25%	0.247	50%	0.504	C	S	.	.	H	α-helix	trans	-61.5	-28.9	175	0	0	0	0	0	113.7	Q323 L325 R331	Q323-G327 PolarHBondContact O-N 3Å; L325-G327 VanDerWaalsContact C-N 3.35Å; L325-G327 PolarHBondContact O-N 2.88Å; G327-R331 WeakPolarHBondContact O-CG 3.26Å; G327-R331 PolarHBondContact O-N 2.86Å; G327-R331 PolarHBondContact O-NE 2.9Å; G327-R331 PolarHBondContact O-NH1 2.93Å
328	R	92.6	Very high	88.5	Confident	131 Å²	131	105 Å²	105	49%	0.494	50%	0.498	S	S	.	.	H	α-helix	trans	-74.1	-44.1	170.3	-76.3	171.9	61	179.7	-1.6	111.7	Q324 L325 E326 V330 R331 Q332	Q324-R328 WeakPolarHBondContact O-CG 3.31Å; Q324-R328 PolarHBondContact O-N 2.73Å; L325-R328 WeakPolarHBondContact O-CA 3.4Å; L325-R328 WeakPolarHBondContact O-CB 3.38Å; L325-R328 PolarHBondContact O-N 2.81Å; L325-R328 VanDerWaalsContact O-N 3.08Å; E326-R328 PolarHBondContact O-N 2.87Å; R328-V330 PolarHBondContact O-N 3.03Å; R328-R331 PolarHBondContact O-N 2.85Å; R328-Q332 PolarHBondContact O-N 2.92Å
329	L	91.3	Very high	89.3	Confident	121 Å²	121	103.3 Å²	103.3	63%	0.634	50%	0.496	S	S	*	.	H	α-helix	trans	-57.8	-49	178.9	-164.7	80.5	0	0	0	110.7	L325 E326 R331 Q332 D333	L325-L329 PolarHBondContact O-N 2.99Å; E326-L329 WeakPolarHBondContact O-CB 3.1Å; E326-L329 PolarHBondContact O-N 3.48Å; E326-L329 VanDerWaalsContact O-N 3.09Å; L329-R331 VanDerWaalsContact C-N 3.3Å; L329-R331 PolarHBondContact O-N 2.89Å; L329-Q332 PolarHBondContact O-N 2.96Å; L329-Q332 VanDerWaalsContact O-N 3.14Å; L329-D333 VanDerWaalsContact O-CB 3.24Å; L329-D333 WeakPolarHBondContact O-CB 3.47Å; L329-D333 PolarHBondContact O-N 2.75Å
330	V	92.2	Very high	90.2	Very high	92 Å²	92	102.4 Å²	102.4	56%	0.558	49%	0.494	S	S	*	.	H	α-helix	trans	-59.3	-38.1	177.2	172.3	0	0	0	0	112.1	E326 R328 H334	E326-V330 WeakPolarHBondContact O-CG2 3.36Å; E326-V330 PolarHBondContact O-N 2.91Å; R328-V330 PolarHBondContact O-N 3.03Å; V330-H334 WeakPolarHBondContact O-CB 3.36Å; V330-H334 PolarHBondContact O-N 3Å
331	R	90.7	Very high	90.9	Very high	150 Å²	150	98.7 Å²	98.7	57%	0.566	49%	0.485	S	S	*	.	H	α-helix	trans	-68.3	-40.1	175.4	-74.3	-172.4	-63	-91.6	7.7	112.4	G327 R328 L329 Q335	G327-R331 WeakPolarHBondContact O-CG 3.26Å; G327-R331 PolarHBondContact O-N 2.86Å; G327-R331 PolarHBondContact O-NE 2.9Å; G327-R331 PolarHBondContact O-NH1 2.93Å; R328-R331 PolarHBondContact O-N 2.85Å; L329-R331 VanDerWaalsContact C-N 3.3Å; L329-R331 PolarHBondContact O-N 2.89Å; R331-Q335 WeakPolarHBondContact O-CG 3.23Å; R331-Q335 PolarHBondContact O-N 2.79Å
332	Q	90.9	Very high	91.3	Very high	102 Å²	102	100.5 Å²	100.5	48%	0.477	49%	0.487	S	S	.	.	H	α-helix	trans	-69.7	-41.6	176.7	-68.4	-176.7	-96.6	0	0	111.8	R328 L329 H334 Q335 I336	R328-Q332 PolarHBondContact O-N 2.92Å; L329-Q332 PolarHBondContact O-N 2.96Å; L329-Q332 VanDerWaalsContact O-N 3.14Å; Q332-H334 VanDerWaalsContact C-N 3.35Å; Q332-H334 PolarHBondContact O-N 3.24Å; Q332-Q335 PolarHBondContact O-N 3.08Å; Q332-I336 VanDerWaalsContact O-CG1 3.27Å; Q332-I336 WeakPolarHBondContact O-CG1 3.26Å; Q332-I336 PolarHBondContact O-N 3.01Å
333	D	91.3	Very high	91.8	Very high	67 Å²	67	101 Å²	101	36%	0.358	49%	0.489	S	S	.	.	H	α-helix	trans	-61.5	-39.8	175.2	177.1	44.1	0	0	0	112	L329 I336 R337	L329-D333 VanDerWaalsContact O-CB 3.24Å; L329-D333 WeakPolarHBondContact O-CB 3.47Å; L329-D333 PolarHBondContact O-N 2.75Å; D333-I336 PolarHBondContact O-N 3.28Å; D333-R337 PolarHBondContact O-N 3.01Å; D333-R337 IonicContact OD1-CZ 3.64Å; D333-R337 IonicContact OD1-NH1 2.7Å; D333-R337 PolarHBondContact OD1-NH1 2.74Å; D333-R337 IonicContact OD1-NH2 2.65Å; D333-R337 IonicContact OD2-CZ 2.72Å; D333-R337 IonicContact OD2-NH1 2.62Å; D333-R337 PolarHBondContact OD2-NH1 2.84Å; D333-R337 IonicContact OD2-NH2 3.74Å; D333-R337 PolarHBondContact OD2-NH2 3.06Å
334	H	91.9	Very high	92.3	Very high	106 Å²	106	100.8 Å²	100.8	49%	0.491	49%	0.488	S	S	.	.	H	α-helix	trans	-63.7	-45.3	170	178.8	55.4	0	0	0	112.7	V330 Q332 I336 R337 E338	V330-H334 WeakPolarHBondContact O-CB 3.36Å; V330-H334 PolarHBondContact O-N 3Å; Q332-H334 VanDerWaalsContact C-N 3.35Å; Q332-H334 PolarHBondContact O-N 3.24Å; H334-I336 VanDerWaalsContact C-N 3.32Å; H334-I336 PolarHBondContact O-N 2.78Å; H334-R337 PolarHBondContact O-N 3Å; H334-E338 PolarHBondContact O-N 2.84Å
335	Q	95.2	Very high	92.6	Very high	119 Å²	119	97.9 Å²	97.9	56%	0.556	48%	0.48	S	S	*	.	H	α-helix	trans	-62	-37.6	175.3	-75.5	179	-36.2	0	0	112.6	R331 Q332 E338 L339	R331-Q335 WeakPolarHBondContact O-CG 3.23Å; R331-Q335 PolarHBondContact O-N 2.79Å; Q332-Q335 PolarHBondContact O-N 3.08Å; Q335-E338 PolarHBondContact O-N 2.84Å; Q335-L339 WeakPolarHBondContact O-CB 3.47Å; Q335-L339 VanDerWaalsContact O-CG 3.31Å; Q335-L339 WeakPolarHBondContact O-CG 3.36Å; Q335-L339 PolarHBondContact O-N 3.13Å
336	I	94.2	Very high	92.9	Very high	96 Å²	96	100 Å²	100	49%	0.492	49%	0.487	S	S	.	.	H	α-helix	trans	-64	-46.5	175.2	-71.5	162.6	0	0	0	110.2	Q332 D333 H334 E338 L339 I340	Q332-I336 VanDerWaalsContact O-CG1 3.27Å; Q332-I336 WeakPolarHBondContact O-CG1 3.26Å; Q332-I336 PolarHBondContact O-N 3.01Å; D333-I336 PolarHBondContact O-N 3.28Å; H334-I336 VanDerWaalsContact C-N 3.32Å; H334-I336 PolarHBondContact O-N 2.78Å; I336-E338 PolarHBondContact O-N 2.89Å; I336-L339 PolarHBondContact O-N 3.05Å; I336-I340 HydrophobicContact CG2-CD1 3.8Å; I336-I340 HydrophobicContact CG2-CG1 4.49Å; I336-I340 WeakPolarHBondContact O-CG1 3.41Å; I336-I340 PolarHBondContact O-N 3.05Å
337	R	93.7	Very high	93	Very high	132 Å²	132	98.4 Å²	98.4	50%	0.498	48%	0.482	S	S	.	.	H	α-helix	trans	-59.9	-41.7	174.8	-79.8	-168.3	-74.8	-82.6	-3.3	113	D333 H334 I340 A341	D333-R337 PolarHBondContact O-N 3.01Å; D333-R337 IonicContact OD1-CZ 3.64Å; D333-R337 IonicContact OD1-NH1 2.7Å; D333-R337 PolarHBondContact OD1-NH1 2.74Å; D333-R337 IonicContact OD1-NH2 2.65Å; D333-R337 IonicContact OD2-CZ 2.72Å; D333-R337 IonicContact OD2-NH1 2.62Å; D333-R337 PolarHBondContact OD2-NH1 2.84Å; D333-R337 IonicContact OD2-NH2 3.74Å; D333-R337 PolarHBondContact OD2-NH2 3.06Å; H334-R337 PolarHBondContact O-N 3Å; R337-I340 PolarHBondContact O-N 3.48Å; R337-A341 PolarHBondContact O-N 2.65Å; R337-A341 VanDerWaalsContact O-N 3.09Å
338	E	95.4	Very high	93.2	Very high	86 Å²	86	101.5 Å²	101.5	40%	0.402	50%	0.496	S	S	.	.	H	α-helix	trans	-60.9	-44.2	173.5	-75.7	-155.9	159.5	0	0	112.6	H334 Q335 I336 I340 A341 K342	H334-E338 PolarHBondContact O-N 2.84Å; Q335-E338 PolarHBondContact O-N 2.84Å; I336-E338 PolarHBondContact O-N 2.89Å; E338-I340 VanDerWaalsContact C-N 3.35Å; E338-A341 PolarHBondContact O-N 2.86Å; E338-K342 WeakPolarHBondContact O-CB 3.33Å; E338-K342 WeakPolarHBondContact O-CD 3.07Å; E338-K342 WeakPolarHBondContact O-CG 3.5Å; E338-K342 PolarHBondContact O-N 3.38Å; E338-K342 IonicContact OE2-NZ 2.77Å; E338-K342 PolarHBondContact OE2-NZ 3.12Å
339	L	94.6	Very high	93.3	Very high	113 Å²	113	101.8 Å²	101.8	59%	0.592	50%	0.503	S	S	*	.	H	α-helix	trans	-67.1	-36	-178.8	-73.7	169.8	0	0	0	112	Q335 I336 K342 M343	Q335-L339 WeakPolarHBondContact O-CB 3.47Å; Q335-L339 VanDerWaalsContact O-CG 3.31Å; Q335-L339 WeakPolarHBondContact O-CG 3.36Å; Q335-L339 PolarHBondContact O-N 3.13Å; I336-L339 PolarHBondContact O-N 3.05Å; L339-K342 PolarHBondContact O-N 3.22Å; L339-M343 WeakPolarHBondContact O-CB 3.48Å; L339-M343 PolarHBondContact O-N 3.34Å
340	I	94.9	Very high	93.4	Very high	72 Å²	72	100 Å²	100	37%	0.369	49%	0.493	S	S	.	.	H	α-helix	trans	-62	-52.6	172.5	-69.2	165.8	0	0	0	110.1	I336 R337 E338 K342 M343 E344	I336-I340 HydrophobicContact CG2-CD1 3.8Å; I336-I340 HydrophobicContact CG2-CG1 4.49Å; I336-I340 WeakPolarHBondContact O-CG1 3.41Å; I336-I340 PolarHBondContact O-N 3.05Å; R337-I340 PolarHBondContact O-N 3.48Å; E338-I340 VanDerWaalsContact C-N 3.35Å; I340-K342 VanDerWaalsContact C-N 3.28Å; I340-K342 PolarHBondContact O-N 3.34Å; I340-M343 WeakPolarHBondContact O-CB 3.43Å; I340-M343 PolarHBondContact O-N 2.65Å; I340-E344 HydrophobicContact CG2-CG 4.32Å; I340-E344 WeakPolarHBondContact CG2-OE1 3.4Å; I340-E344 WeakPolarHBondContact O-CG 3.4Å; I340-E344 PolarHBondContact O-N 2.74Å
341	A	93.6	Very high	93.4	Very high	47 Å²	47	98.5 Å²	98.5	39%	0.388	49%	0.489	S	S	.	.	H	α-helix	trans	-61.1	-35.5	178.8	0	0	0	0	0	113	R337 E338 T345	R337-A341 PolarHBondContact O-N 2.65Å; R337-A341 VanDerWaalsContact O-N 3.09Å; E338-A341 PolarHBondContact O-N 2.86Å; A341-T345 WeakPolarHBondContact O-CG2 3.42Å; A341-T345 PolarHBondContact O-N 3.46Å; A341-T345 PolarHBondContact O-OG1 3.46Å
342	K	95.3	Very high	93.6	Very high	103 Å²	103	95.5 Å²	95.5	45%	0.448	48%	0.482	S	S	.	.	H	α-helix	trans	-67.6	-38.2	173.5	-72.8	162.3	-175.4	169.3	0	112	E338 L339 I340 T345 Q346	E338-K342 WeakPolarHBondContact O-CB 3.33Å; E338-K342 WeakPolarHBondContact O-CD 3.07Å; E338-K342 WeakPolarHBondContact O-CG 3.5Å; E338-K342 PolarHBondContact O-N 3.38Å; E338-K342 IonicContact OE2-NZ 2.77Å; E338-K342 PolarHBondContact OE2-NZ 3.12Å; L339-K342 PolarHBondContact O-N 3.22Å; I340-K342 VanDerWaalsContact C-N 3.28Å; I340-K342 PolarHBondContact O-N 3.34Å; K342-T345 WeakPolarHBondContact CA-OG1 3.17Å; K342-T345 PolarHBondContact O-OG1 2.79Å; K342-T345 VanDerWaalsContact O-OG1 3.13Å; K342-Q346 WeakPolarHBondContact O-CB 3.38Å; K342-Q346 VanDerWaalsContact O-CG 3.29Å; K342-Q346 WeakPolarHBondContact O-CG 3.48Å; K342-Q346 PolarHBondContact O-N 2.64Å
343	M	95	Very high	93.7	Very high	101 Å²	101	95.6 Å²	95.6	50%	0.498	49%	0.485	S	S	.	.	H	α-helix	trans	-70.1	-41.7	175.2	-176.6	-176.6	67.5	0	0	112	L339 I340 Q346 N347	L339-M343 WeakPolarHBondContact O-CB 3.48Å; L339-M343 PolarHBondContact O-N 3.34Å; I340-M343 WeakPolarHBondContact O-CB 3.43Å; I340-M343 PolarHBondContact O-N 2.65Å; M343-Q346 PolarHBondContact O-N 2.91Å; M343-N347 WeakPolarHBondContact O-CB 3.36Å; M343-N347 PolarHBondContact O-N 3.33Å; M343-N347 PolarHBondContact O-ND2 3.36Å
344	E	93.8	Very high	93.7	Very high	111 Å²	111	97.5 Å²	97.5	52%	0.519	49%	0.49	S	S	.	.	H	α-helix	trans	-62.8	-46.6	177.6	-72.8	170.5	166.5	0	0	111.5	I340 N347 T348	I340-E344 HydrophobicContact CG2-CG 4.32Å; I340-E344 WeakPolarHBondContact CG2-OE1 3.4Å; I340-E344 WeakPolarHBondContact O-CG 3.4Å; I340-E344 PolarHBondContact O-N 2.74Å; E344-N347 WeakPolarHBondContact O-CB 3.49Å; E344-N347 PolarHBondContact O-N 3.46Å; E344-N347 VanDerWaalsContact O-N 3.16Å; E344-T348 PolarHBondContact O-N 2.81Å
345	T	94.3	Very high	93.7	Very high	78 Å²	78	98.8 Å²	98.8	48%	0.479	49%	0.491	S	S	.	.	H	α-helix	trans	-65.4	-36.9	174.9	47.9	0	0	0	0	112.7	A341 K342 N347 T348 H349	A341-T345 WeakPolarHBondContact O-CG2 3.42Å; A341-T345 PolarHBondContact O-N 3.46Å; A341-T345 PolarHBondContact O-OG1 3.46Å; K342-T345 WeakPolarHBondContact CA-OG1 3.17Å; K342-T345 PolarHBondContact O-OG1 2.79Å; K342-T345 VanDerWaalsContact O-OG1 3.13Å; T345-N347 VanDerWaalsContact C-N 3.34Å; T345-N347 PolarHBondContact O-N 2.92Å; T345-T348 PolarHBondContact O-OG1 2.73Å; T345-H349 WeakPolarHBondContact O-CB 3.26Å; T345-H349 PolarHBondContact O-CD2 2.85Å; T345-H349 PolarHBondContact O-N 2.95Å
346	Q	93	Very high	93.7	Very high	141 Å²	141	95.6 Å²	95.6	66%	0.659	48%	0.479	S	S	*	.	H	α-helix	trans	-64.4	-37.1	170.5	-78	-179.1	-16.9	0	0	112.7	K342 M343 M350	K342-Q346 WeakPolarHBondContact O-CB 3.38Å; K342-Q346 VanDerWaalsContact O-CG 3.29Å; K342-Q346 WeakPolarHBondContact O-CG 3.48Å; K342-Q346 PolarHBondContact O-N 2.64Å; M343-Q346 PolarHBondContact O-N 2.91Å; Q346-M350 WeakPolarHBondContact O-CB 3.27Å; Q346-M350 PolarHBondContact O-N 2.99Å
347	N	91.3	Very high	93.6	Very high	74 Å²	74	94.6 Å²	94.6	40%	0.396	47%	0.474	S	S	.	.	H	α-helix	trans	-68	-41.4	177.4	-80.8	-37.7	0	0	0	112.6	M343 E344 T345 M350 A351	M343-N347 WeakPolarHBondContact O-CB 3.36Å; M343-N347 PolarHBondContact O-N 3.33Å; M343-N347 PolarHBondContact O-ND2 3.36Å; E344-N347 WeakPolarHBondContact O-CB 3.49Å; E344-N347 PolarHBondContact O-N 3.46Å; E344-N347 VanDerWaalsContact O-N 3.16Å; T345-N347 VanDerWaalsContact C-N 3.34Å; T345-N347 PolarHBondContact O-N 2.92Å; N347-M350 PolarHBondContact O-N 2.82Å; N347-M350 WeakPolarHBondContact OD1-CE 3.25Å; N347-A351 WeakPolarHBondContact O-CB 3.38Å; N347-A351 PolarHBondContact O-N 2.86Å
348	T	92.9	Very high	93.4	Very high	89 Å²	89	95.4 Å²	95.4	55%	0.546	48%	0.477	S	S	.	.	H	α-helix	trans	-66.4	-42.7	175	57.4	0	0	0	0	111.5	E344 T345 M350 A351 E352	E344-T348 PolarHBondContact O-N 2.81Å; T345-T348 PolarHBondContact O-OG1 2.73Å; T348-M350 VanDerWaalsContact C-N 3.35Å; T348-M350 PolarHBondContact O-N 3.3Å; T348-A351 PolarHBondContact O-N 2.84Å; T348-E352 WeakPolarHBondContact O-CB 3.45Å; T348-E352 PolarHBondContact O-N 3.04Å
349	H	94	Very high	93.1	Very high	138 Å²	138	95.2 Å²	95.2	64%	0.639	48%	0.479	S	S	*	.	H	α-helix	trans	-60.3	-41.7	173.4	-79.7	-129.5	0	0	0	112.2	T345 E352 L353	T345-H349 WeakPolarHBondContact O-CB 3.26Å; T345-H349 PolarHBondContact O-CD2 2.85Å; T345-H349 PolarHBondContact O-N 2.95Å; H349-E352 PolarHBondContact O-N 2.85Å; H349-L353 WeakPolarHBondContact O-CB 3.49Å; H349-L353 PolarHBondContact O-N 2.81Å
350	M	93.9	Very high	92.9	Very high	84 Å²	84	94.2 Å²	94.2	41%	0.414	47%	0.474	S	S	.	.	H	α-helix	trans	-65.6	-39.5	175.2	175.8	176.5	49.1	0	0	112.2	Q346 N347 T348 K354	Q346-M350 WeakPolarHBondContact O-CB 3.27Å; Q346-M350 PolarHBondContact O-N 2.99Å; N347-M350 PolarHBondContact O-N 2.82Å; N347-M350 WeakPolarHBondContact OD1-CE 3.25Å; T348-M350 VanDerWaalsContact C-N 3.35Å; T348-M350 PolarHBondContact O-N 3.3Å; M350-K354 HydrophobicContact CG-CD 3.97Å; M350-K354 HydrophobicContact CG-CG 4.5Å; M350-K354 WeakPolarHBondContact O-CB 3.26Å; M350-K354 VanDerWaalsContact O-CG 3.24Å; M350-K354 WeakPolarHBondContact O-CG 3.45Å; M350-K354 PolarHBondContact O-N 2.93Å; M350-K354 PolarHBondContact SD-NZ 2.92Å
351	A	92	Very high	92.5	Very high	59 Å²	59	96 Å²	96	49%	0.488	48%	0.48	S	S	.	.	H	α-helix	trans	-64.3	-43	176.8	0	0	0	0	0	111.5	N347 T348 K354 R355	N347-A351 WeakPolarHBondContact O-CB 3.38Å; N347-A351 PolarHBondContact O-N 2.86Å; T348-A351 PolarHBondContact O-N 2.84Å; A351-K354 PolarHBondContact O-N 3.42Å; A351-R355 PolarHBondContact O-N 3.38Å
352	E	94.1	Very high	92	Very high	87 Å²	87	95.6 Å²	95.6	41%	0.407	48%	0.481	S	S	.	.	H	α-helix	trans	-67.9	-40.8	177.6	176.8	57.2	-171	0	0	112.6	T348 H349 R355 T356	T348-E352 WeakPolarHBondContact O-CB 3.45Å; T348-E352 PolarHBondContact O-N 3.04Å; H349-E352 PolarHBondContact O-N 2.85Å; E352-R355 WeakPolarHBondContact O-CB 3.49Å; E352-R355 PolarHBondContact O-N 2.98Å; E352-R355 IonicContact OE1-CZ 3.67Å; E352-R355 IonicContact OE1-NE 3.87Å; E352-R355 IonicContact OE1-NH2 2.72Å; E352-R355 PolarHBondContact OE1-NH2 2.94Å; E352-R355 IonicContact OE2-CZ 3.58Å; E352-R355 VanDerWaalsContact OE2-CZ 3.27Å; E352-R355 IonicContact OE2-NE 2.68Å; E352-R355 PolarHBondContact OE2-NE 3.11Å; E352-R355 IonicContact OE2-NH2 3.15Å; E352-R355 PolarHBondContact OE2-NH2 3Å; E352-T356 WeakPolarHBondContact O-CB 3.47Å; E352-T356 PolarHBondContact O-N 2.9Å; E352-T356 PolarHBondContact O-OG1 2.92Å
353	L	93.4	Very high	91.6	Very high	105 Å²	105	96.1 Å²	96.1	55%	0.55	48%	0.483	S	S	.	.	H	α-helix	trans	-62.8	-43.7	173.2	-175.9	62.4	0	0	0	111.2	H349 R355 T356 I357	H349-L353 WeakPolarHBondContact O-CB 3.49Å; H349-L353 PolarHBondContact O-N 2.81Å; L353-R355 VanDerWaalsContact C-N 3.31Å; L353-R355 PolarHBondContact O-N 3.2Å; L353-T356 PolarHBondContact O-N 3.37Å; L353-I357 HydrophobicContact CD1-CD1 4.48Å; L353-I357 HydrophobicContact CG-CD1 4.09Å; L353-I357 WeakPolarHBondContact O-CG1 3.37Å; L353-I357 PolarHBondContact O-N 3.42Å
354	K	91.4	Very high	91.3	Very high	107 Å²	107	95.6 Å²	95.6	47%	0.465	48%	0.482	S	S	.	.	H	α-helix	trans	-62.3	-35.2	173.8	-74.8	170.9	178.2	173.3	0	112.4	M350 A351 R358	M350-K354 HydrophobicContact CG-CD 3.97Å; M350-K354 HydrophobicContact CG-CG 4.5Å; M350-K354 WeakPolarHBondContact O-CB 3.26Å; M350-K354 VanDerWaalsContact O-CG 3.24Å; M350-K354 WeakPolarHBondContact O-CG 3.45Å; M350-K354 PolarHBondContact O-N 2.93Å; M350-K354 PolarHBondContact SD-NZ 2.92Å; A351-K354 PolarHBondContact O-N 3.42Å; K354-R358 WeakPolarHBondContact O-CG 3.3Å; K354-R358 PolarHBondContact O-N 2.84Å; K354-R358 PolarHBondContact O-NH1 3.16Å; K354-R358 VanDerWaalsContact O-NH1 3.08Å
355	R	92.3	Very high	90.9	Very high	133 Å²	133	93.8 Å²	93.8	50%	0.502	48%	0.478	S	S	.	.	H	α-helix	trans	-67.4	-41.8	173.3	-171.5	-178.6	70.9	89.9	3.4	111.5	A351 E352 L353 N359	A351-R355 PolarHBondContact O-N 3.38Å; E352-R355 WeakPolarHBondContact O-CB 3.49Å; E352-R355 PolarHBondContact O-N 2.98Å; E352-R355 IonicContact OE1-CZ 3.67Å; E352-R355 IonicContact OE1-NE 3.87Å; E352-R355 IonicContact OE1-NH2 2.72Å; E352-R355 PolarHBondContact OE1-NH2 2.94Å; E352-R355 IonicContact OE2-CZ 3.58Å; E352-R355 VanDerWaalsContact OE2-CZ 3.27Å; E352-R355 IonicContact OE2-NE 2.68Å; E352-R355 PolarHBondContact OE2-NE 3.11Å; E352-R355 IonicContact OE2-NH2 3.15Å; E352-R355 PolarHBondContact OE2-NH2 3Å; L353-R355 VanDerWaalsContact C-N 3.31Å; L353-R355 PolarHBondContact O-N 3.2Å; R355-N359 PolarHBondContact O-N 3.43Å; R355-N359 VanDerWaalsContact O-N 3.15Å
356	T	93.9	Very high	90.4	Very high	52 Å²	52	92.9 Å²	92.9	32%	0.319	47%	0.469	S	S	.	.	H	α-helix	trans	-65.3	-44.4	178.5	-60	0	0	0	0	111.6	E352 L353 R358 N359 L360	E352-T356 WeakPolarHBondContact O-CB 3.47Å; E352-T356 PolarHBondContact O-N 2.9Å; E352-T356 PolarHBondContact O-OG1 2.92Å; L353-T356 PolarHBondContact O-N 3.37Å; T356-R358 PolarHBondContact O-N 3.04Å; T356-N359 WeakPolarHBondContact O-CB 3.27Å; T356-N359 PolarHBondContact O-N 2.92Å; T356-L360 HydrophobicContact CG2-CD1 4.17Å; T356-L360 WeakPolarHBondContact O-CG 3.4Å; T356-L360 PolarHBondContact O-N 3.07Å
357	I	92.6	Very high	90.1	Very high	74 Å²	74	91.9 Å²	91.9	38%	0.379	47%	0.465	S	S	.	.	H	α-helix	trans	-56.6	-52.2	175.6	-71	164.6	0	0	0	110.6	L353 N359 L360 E361	L353-I357 HydrophobicContact CD1-CD1 4.48Å; L353-I357 HydrophobicContact CG-CD1 4.09Å; L353-I357 WeakPolarHBondContact O-CG1 3.37Å; L353-I357 PolarHBondContact O-N 3.42Å; I357-N359 VanDerWaalsContact C-N 3.26Å; I357-N359 PolarHBondContact O-N 2.86Å; I357-L360 WeakPolarHBondContact O-CA 3.43Å; I357-L360 WeakPolarHBondContact O-CB 3.45Å; I357-L360 PolarHBondContact O-N 3.42Å; I357-E361 HydrophobicContact CG2-CG 4.23Å; I357-E361 WeakPolarHBondContact CG2-OE1 3.19Å; I357-E361 WeakPolarHBondContact O-CG 3.26Å; I357-E361 PolarHBondContact O-N 3.06Å
358	R	89.9	Confident	89.8	Confident	149 Å²	149	93.7 Å²	93.7	56%	0.562	47%	0.471	S	S	*	.	H	α-helix	trans	-58.7	-34.9	177.8	-68.8	-171.4	-56.7	-87.5	4	114	K354 T356 E361 G362	K354-R358 WeakPolarHBondContact O-CG 3.3Å; K354-R358 PolarHBondContact O-N 2.84Å; K354-R358 PolarHBondContact O-NH1 3.16Å; K354-R358 VanDerWaalsContact O-NH1 3.08Å; T356-R358 PolarHBondContact O-N 3.04Å; R358-E361 WeakPolarHBondContact CA-OE2 3.5Å; R358-G362 PolarHBondContact O-N 2.93Å
359	N	89.6	Confident	89.4	Confident	82 Å²	82	89.7 Å²	89.7	44%	0.439	45%	0.447	S	S	.	.	H	α-helix	trans	-69.9	-35.7	175.4	-173	20.7	0	0	0	111.9	R355 T356 I357 K363	R355-N359 PolarHBondContact O-N 3.43Å; R355-N359 VanDerWaalsContact O-N 3.15Å; T356-N359 WeakPolarHBondContact O-CB 3.27Å; T356-N359 PolarHBondContact O-N 2.92Å; I357-N359 VanDerWaalsContact C-N 3.26Å; I357-N359 PolarHBondContact O-N 2.86Å; N359-K363 VanDerWaalsContact O-CG 3.29Å; N359-K363 WeakPolarHBondContact O-CG 3.45Å; N359-K363 PolarHBondContact O-N 3.38Å; N359-K363 VanDerWaalsContact O-N 3.11Å
360	L	90.1	Very high	89	Confident	93 Å²	93	84.6 Å²	84.6	49%	0.487	42%	0.424	S	S	.	.	H	α-helix	trans	-72.4	-42.5	174.6	-67.8	173	0	0	0	111.8	T356 I357 G362 K363 I364	T356-L360 HydrophobicContact CG2-CD1 4.17Å; T356-L360 WeakPolarHBondContact O-CG 3.4Å; T356-L360 PolarHBondContact O-N 3.07Å; I357-L360 WeakPolarHBondContact O-CA 3.43Å; I357-L360 WeakPolarHBondContact O-CB 3.45Å; I357-L360 PolarHBondContact O-N 3.42Å; L360-G362 VanDerWaalsContact C-N 3.34Å; L360-G362 PolarHBondContact O-N 3.45Å; L360-K363 PolarHBondContact O-N 2.86Å; L360-K363 VanDerWaalsContact O-N 3.11Å; L360-I364 VanDerWaalsContact O-CG1 3.29Å; L360-I364 WeakPolarHBondContact O-CG1 3.25Å; L360-I364 PolarHBondContact O-N 3.2Å
361	E	87	Confident	88.5	Confident	108 Å²	108	87.1 Å²	87.1	51%	0.505	44%	0.435	S	S	.	.	H	α-helix	trans	-57.5	-44.9	173.3	-68.8	166.3	158.2	0	0	111.5	I357 R358 K363 I364 T365	I357-E361 HydrophobicContact CG2-CG 4.23Å; I357-E361 WeakPolarHBondContact CG2-OE1 3.19Å; I357-E361 WeakPolarHBondContact O-CG 3.26Å; I357-E361 PolarHBondContact O-N 3.06Å; R358-E361 WeakPolarHBondContact CA-OE2 3.5Å; E361-K363 VanDerWaalsContact C-N 3.34Å; E361-K363 PolarHBondContact O-N 3.02Å; E361-I364 PolarHBondContact O-N 2.84Å; E361-T365 PolarHBondContact O-N 3.06Å; E361-T365 PolarHBondContact O-OG1 2.84Å
362	G	83.2	Confident	88	Confident	39 Å²	39	85.5 Å²	85.5	40%	0.402	42%	0.42	S	S	.	.	H	α-helix	trans	-62.6	-35.8	173.5	0	0	0	0	0	113.8	R358 L360 T365 E366	R358-G362 PolarHBondContact O-N 2.93Å; L360-G362 VanDerWaalsContact C-N 3.34Å; L360-G362 PolarHBondContact O-N 3.45Å; G362-T365 WeakPolarHBondContact CA-OG1 3.49Å; G362-T365 PolarHBondContact O-OG1 3.48Å; G362-T365 VanDerWaalsContact O-OG1 3.14Å; G362-E366 WeakPolarHBondContact O-CB 3.48Å; G362-E366 PolarHBondContact O-N 2.83Å; G362-E366 VanDerWaalsContact O-N 3.16Å
363	K	86.8	Confident	87.6	Confident	114 Å²	114	86.5 Å²	86.5	50%	0.496	43%	0.428	S	S	.	.	H	α-helix	trans	-73.3	-38.8	175.3	-75.5	175.1	-179.4	-171.3	0	112.9	N359 L360 E361 E366 M367	N359-K363 VanDerWaalsContact O-CG 3.29Å; N359-K363 WeakPolarHBondContact O-CG 3.45Å; N359-K363 PolarHBondContact O-N 3.38Å; N359-K363 VanDerWaalsContact O-N 3.11Å; L360-K363 PolarHBondContact O-N 2.86Å; L360-K363 VanDerWaalsContact O-N 3.11Å; E361-K363 VanDerWaalsContact C-N 3.34Å; E361-K363 PolarHBondContact O-N 3.02Å; K363-E366 PolarHBondContact O-N 3.1Å; K363-M367 WeakPolarHBondContact O-CB 3.18Å; K363-M367 VanDerWaalsContact O-CG 3.27Å; K363-M367 WeakPolarHBondContact O-CG 3.29Å; K363-M367 PolarHBondContact O-N 3.36Å
364	I	88.2	Confident	87.3	Confident	91 Å²	91	81.6 Å²	81.6	47%	0.467	40%	0.403	S	S	.	.	H	α-helix	trans	-62.3	-51.5	176.7	-70.7	162.6	0	0	0	109.4	L360 E361 E366 M367 E368	L360-I364 VanDerWaalsContact O-CG1 3.29Å; L360-I364 WeakPolarHBondContact O-CG1 3.25Å; L360-I364 PolarHBondContact O-N 3.2Å; E361-I364 PolarHBondContact O-N 2.84Å; I364-E366 VanDerWaalsContact C-N 3.33Å; I364-E366 PolarHBondContact O-N 2.98Å; I364-M367 CarbonylContact O-C 3.56Å; I364-M367 WeakPolarHBondContact O-CB 3.4Å; I364-M367 PolarHBondContact O-N 3.3Å; I364-E368 HydrophobicContact CG2-CG 4.39Å; I364-E368 WeakPolarHBondContact O-CG 3.41Å; I364-E368 PolarHBondContact O-N 3.44Å
365	T	85.1	Confident	87.4	Confident	73 Å²	73	80.6 Å²	80.6	45%	0.448	40%	0.401	S	S	.	.	H	α-helix	trans	-61.2	-37.1	178.6	46.2	0	0	0	0	113.1	E361 G362 A369	E361-T365 PolarHBondContact O-N 3.06Å; E361-T365 PolarHBondContact O-OG1 2.84Å; G362-T365 WeakPolarHBondContact CA-OG1 3.49Å; G362-T365 PolarHBondContact O-OG1 3.48Å; G362-T365 VanDerWaalsContact O-OG1 3.14Å; T365-A369 VanDerWaalsContact O-CB 3.29Å; T365-A369 WeakPolarHBondContact O-CB 3.47Å; T365-A369 PolarHBondContact O-N 3.41Å
366	E	84.7	Confident	87.6	Confident	59 Å²	59	75.7 Å²	75.7	28%	0.276	38%	0.383	S	S	.	.	H	α-helix	trans	-69.7	-35.3	173	-164	68.8	-169.6	0	0	112.7	G362 K363 I364 Q370 Y404 K411	G362-E366 WeakPolarHBondContact O-CB 3.48Å; G362-E366 PolarHBondContact O-N 2.83Å; G362-E366 VanDerWaalsContact O-N 3.16Å; K363-E366 PolarHBondContact O-N 3.1Å; I364-E366 VanDerWaalsContact C-N 3.33Å; I364-E366 PolarHBondContact O-N 2.98Å; E366-Q370 WeakPolarHBondContact O-CG 3.35Å; E366-Q370 PolarHBondContact O-N 3.34Å; E366-Y404 WeakPolarHBondContact OE1-CE2 3.35Å; E366-Y404 VanDerWaalsContact OE1-CZ 3.32Å; E366-Y404 PolarHBondContact OE1-OH 2.92Å; E366-K411 IonicContact OE1-NZ 3.86Å; E366-K411 PolarHBondContact OE1-NZ 3.27Å; E366-K411 IonicContact OE2-NZ 2.67Å; E366-K411 PolarHBondContact OE2-NZ 3.22Å
367	M	85.1	Confident	87.7	Confident	119 Å²	119	77.5 Å²	77.5	59%	0.586	39%	0.39	S	S	*	.	H	α-helix	trans	-70.3	-35.3	175	-77.5	177.9	59.7	0	0	113	K363 I364 Q371	K363-M367 WeakPolarHBondContact O-CB 3.18Å; K363-M367 VanDerWaalsContact O-CG 3.27Å; K363-M367 WeakPolarHBondContact O-CG 3.29Å; K363-M367 PolarHBondContact O-N 3.36Å; I364-M367 CarbonylContact O-C 3.56Å; I364-M367 WeakPolarHBondContact O-CB 3.4Å; I364-M367 PolarHBondContact O-N 3.3Å; M367-Q371 WeakPolarHBondContact O-CG 3.27Å; M367-Q371 PolarHBondContact O-NE2 3.22Å
368	E	86.1	Confident	87.9	Confident	112 Å²	112	74.9 Å²	74.9	52%	0.523	38%	0.375	S	S	.	.	H	α-helix	trans	-67.6	-46.3	172.4	-71.8	172.3	161.8	0	0	110.5	I364 Q370 Q371	I364-E368 HydrophobicContact CG2-CG 4.39Å; I364-E368 WeakPolarHBondContact O-CG 3.41Å; I364-E368 PolarHBondContact O-N 3.44Å; E368-Q370 PolarHBondContact O-N 2.84Å; E368-Q371 PolarHBondContact O-N 2.93Å
369	A	83.9	Confident	88.2	Confident	5 Å²	5	73.2 Å²	73.2	4%	0.041	37%	0.372	C	S	.	.	H	α-helix	trans	-53.3	-38.2	175.9	0	0	0	0	0	112.7	T365 Q371 G402 Y404	T365-A369 VanDerWaalsContact O-CB 3.29Å; T365-A369 WeakPolarHBondContact O-CB 3.47Å; T365-A369 PolarHBondContact O-N 3.41Å; A369-Q371 VanDerWaalsContact C-N 3.33Å; A369-Q371 PolarHBondContact O-N 2.86Å; A369-G402 WeakPolarHBondContact CB-O 3.34Å; A369-Y404 HydrophobicContact CB-CD2 3.91Å; A369-Y404 HydrophobicContact CB-CE2 4.19Å; A369-Y404 PolarHBondContact O-N 2.96Å
370	Q	84.7	Confident	88.6	Confident	32 Å²	32	69.5 Å²	69.5	15%	0.15	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-15.2	-179.3	-72.6	-176.3	9.6	0	0	114.2	E366 E368 Y404 E440	E366-Q370 WeakPolarHBondContact O-CG 3.35Å; E366-Q370 PolarHBondContact O-N 3.34Å; E368-Q370 PolarHBondContact O-N 2.84Å; Q370-Y404 HydrophobicContact CB-CD2 4.36Å; Q370-Y404 HydrophobicContact CG-CD2 3.54Å; Q370-Y404 HydrophobicContact CG-CE2 3.67Å; Q370-Y404 HydrophobicContact CG-CG 4.26Å; Q370-E440 PolarHBondContact NE2-OE2 3.22Å
371	Q	83.6	Confident	88.8	Confident	136 Å²	136	70.9 Å²	70.9	64%	0.636	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-13.6	-178.6	-73.3	170.8	61.7	0	0	114	M367 E368 A369 N373	M367-Q371 WeakPolarHBondContact O-CG 3.27Å; M367-Q371 PolarHBondContact O-NE2 3.22Å; E368-Q371 PolarHBondContact O-N 2.93Å; A369-Q371 VanDerWaalsContact C-N 3.33Å; A369-Q371 PolarHBondContact O-N 2.86Å; Q371-N373 VanDerWaalsContact C-N 3.33Å; Q371-N373 PolarHBondContact O-N 3.46Å; Q371-N373 PolarHBondContact O-ND2 3.24Å
372	C	81.5	Confident	89.2	Confident	26 Å²	26	70.7 Å²	70.7	18%	0.176	36%	0.358	C	S	.	.			trans	-66.7	-28.1	-172	-54.4	0	0	0	0	114.3	G374 I375 F403	C372-G374 PolarHBondContact O-N 3.01Å; C372-G374 VanDerWaalsContact O-N 3.1Å; C372-I375 CarbonylContact O-C 3.53Å; C372-I375 PolarHBondContact O-N 3.36Å; C372-F403 HydrophobicContact CB-CB 4.21Å
373	N	85.6	Confident	89.8	Confident	108 Å²	108	68.8 Å²	68.8	58%	0.578	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.9	42.2	178.9	-66.2	-61.7	0	0	0	113.8	Q371 I375 T405	Q371-N373 VanDerWaalsContact C-N 3.33Å; Q371-N373 PolarHBondContact O-N 3.46Å; Q371-N373 PolarHBondContact O-ND2 3.24Å; N373-I375 VanDerWaalsContact C-N 3.3Å; N373-I375 PolarHBondContact O-N 2.62Å; N373-T405 CarbonylContact C-O 3.6Å
374	G	87.8	Confident	90.2	Very high	2 Å²	2	66.2 Å²	66.2	2%	0.021	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	82	-6.1	-178.9	0	0	0	0	0	115.7	C372 Y404 T405 E521 V522	C372-G374 PolarHBondContact O-N 3.01Å; C372-G374 VanDerWaalsContact O-N 3.1Å; G374-Y404 PolarHBondContact N-O 3.06Å; G374-Y404 VanDerWaalsContact N-O 3.15Å; G374-T405 PolarHBondContact N-O 3.11Å; G374-E521 CarbonylContact O-C 3.59Å; G374-E521 VanDerWaalsContact O-CA 3.32Å; G374-E521 WeakPolarHBondContact O-CA 3.49Å; G374-V522 PolarHBondContact O-N 3.26Å
375	I	94.4	Very high	90.5	Very high	86 Å²	86	63.1 Å²	63.1	44%	0.441	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	106.7	172	-57.2	175.6	0	0	0	109.2	C372 N373 E521	C372-I375 CarbonylContact O-C 3.53Å; C372-I375 PolarHBondContact O-N 3.36Å; N373-I375 VanDerWaalsContact C-N 3.3Å; N373-I375 PolarHBondContact O-N 2.62Å; I375-E521 HydrophobicContact CG1-CG 4.3Å
376	Y	96.3	Very high	90.9	Very high	30 Å²	30	61 Å²	61	12%	0.118	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	141.1	177.5	-179.2	-118.7	0	0	0	111	W378 P401 F403 L414 R519 C520	Y376-W378 HydrophobicContact CD1-CB 4.44Å; Y376-W378 HydrophobicContact CE1-CB 3.71Å; Y376-W378 HydrophobicContact CE1-CG 4.35Å; Y376-P401 WeakPolarHBondContact OH-CD 3.31Å; Y376-F403 HydrophobicContact CD1-CB 4.45Å; Y376-F403 AromaticContact CD1-CD1 3.34Å; Y376-F403 HydrophobicContact CD1-CD1 3.34Å; Y376-F403 AromaticContact CD1-CE1 3.58Å; Y376-F403 HydrophobicContact CD1-CE1 3.58Å; Y376-F403 AromaticContact CD1-CG 3.89Å; Y376-F403 HydrophobicContact CD1-CG 3.89Å; Y376-F403 HydrophobicContact CD1-CZ 4.29Å; Y376-F403 HydrophobicContact CD2-CB 3.74Å; Y376-F403 HydrophobicContact CD2-CD1 4.2Å; Y376-F403 AromaticContact CD2-CG 4Å; Y376-F403 HydrophobicContact CD2-CG 4Å; Y376-F403 AromaticContact CE1-CD1 3.84Å; Y376-F403 HydrophobicContact CE1-CD1 3.84Å; Y376-F403 HydrophobicContact CE1-CE1 4.26Å; Y376-F403 HydrophobicContact CE2-CB 4.26Å; Y376-F403 HydrophobicContact CG-CB 3.86Å; Y376-F403 AromaticContact CG-CD1 3.55Å; Y376-F403 HydrophobicContact CG-CD1 3.55Å; Y376-F403 HydrophobicContact CG-CD2 4.07Å; Y376-F403 HydrophobicContact CG-CE1 4.06Å; Y376-F403 AromaticContact CG-CG 3.55Å; Y376-F403 HydrophobicContact CG-CG 3.55Å; Y376-L414 HydrophobicContact CD1-CD1 4.36Å; Y376-R519 CarbonylContact O-C 3.55Å; Y376-R519 WeakPolarHBondContact O-CA 3.45Å; Y376-C520 PolarHBondContact N-O 2.78Å; Y376-C520 PolarHBondContact O-N 2.87Å
377	I	95.9	Very high	91.3	Very high	89 Å²	89	60.5 Å²	60.5	46%	0.456	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	108.8	173.5	-58.3	177.8	0	0	0	107.7	K379 L458 L517 R519	I377-K379 PolarHBondContact O-N 2.94Å; I377-L458 HydrophobicContact CG2-CD1 4.43Å; I377-L517 HydrophobicContact CG2-CD2 4.47Å; I377-R519 HydrophobicContact CG1-CB 4.43Å; I377-R519 HydrophobicContact CG1-CG 4.21Å
378	W	96.8	Very high	91.7	Very high	19 Å²	19	60.4 Å²	60.4	7%	0.072	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	111.9	173.3	-172.8	12.2	0	0	0	109.2	Y376 I380 M398 H399 L414 L416 V518	Y376-W378 HydrophobicContact CD1-CB 4.44Å; Y376-W378 HydrophobicContact CE1-CB 3.71Å; Y376-W378 HydrophobicContact CE1-CG 4.35Å; W378-I380 HydrophobicContact CD2-CD1 3.85Å; W378-I380 HydrophobicContact CD2-CG1 3.82Å; W378-I380 HydrophobicContact CE3-CD1 3.93Å; W378-I380 HydrophobicContact CE3-CG1 4.42Å; W378-I380 HydrophobicContact CG-CD1 4.47Å; W378-I380 HydrophobicContact CG-CG1 4.06Å; W378-I380 HydrophobicContact CH2-CD1 4.15Å; W378-I380 HydrophobicContact CZ2-CD1 4.07Å; W378-I380 HydrophobicContact CZ2-CG1 4.1Å; W378-I380 HydrophobicContact CZ3-CD1 4.09Å; W378-M398 HydrophobicContact CH2-CB 3.9Å; W378-M398 HydrophobicContact CH2-CE 4.48Å; W378-M398 HydrophobicContact CZ2-CB 4.04Å; W378-M398 HydrophobicContact CZ2-CE 4.18Å; W378-H399 VanDerWaalsContact CZ2-C 3.45Å; W378-L414 HydrophobicContact CB-CD1 4.41Å; W378-L414 HydrophobicContact CE3-CB 3.79Å; W378-L414 HydrophobicContact CE3-CD1 4Å; W378-L414 HydrophobicContact CZ3-CB 3.88Å; W378-L416 HydrophobicContact CH2-CB 3.84Å; W378-L416 HydrophobicContact CZ3-CB 3.68Å; W378-V518 HydrophobicContact CB-CB 4.37Å; W378-V518 PolarHBondContact N-O 3.22Å; W378-V518 PolarHBondContact O-N 3.38Å
379	K	96.2	Very high	92	Very high	114 Å²	114	55.4 Å²	55.4	50%	0.496	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	122.8	166	-166.2	-172.6	-174.3	-165	0	109	I377 E381 T515 L517	I377-K379 PolarHBondContact O-N 2.94Å; K379-E381 HydrophobicContact CD-CG 3.91Å; K379-E381 VanDerWaalsContact CE-OE1 3.27Å; K379-E381 WeakPolarHBondContact CE-OE1 3.3Å; K379-E381 HydrophobicContact CG-CG 4.09Å; K379-E381 IonicContact NZ-OE1 3.83Å; K379-E381 PolarHBondContact NZ-OE1 3.31Å; K379-T515 HydrophobicContact CD-CG2 4.15Å; K379-T515 HydrophobicContact CG-CG2 3.45Å; K379-T515 VanDerWaalsContact CG-CG2 3.45Å; K379-L517 HydrophobicContact CB-CD2 4.13Å; K379-L517 HydrophobicContact CG-CD2 3.9Å
380	I	97	Very high	92.5	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.021	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	106.8	173.7	-67.2	173.3	0	0	0	107.9	W378 F383 L386 M398 L416 T515 L516 V518	W378-I380 HydrophobicContact CD2-CD1 3.85Å; W378-I380 HydrophobicContact CD2-CG1 3.82Å; W378-I380 HydrophobicContact CE3-CD1 3.93Å; W378-I380 HydrophobicContact CE3-CG1 4.42Å; W378-I380 HydrophobicContact CG-CD1 4.47Å; W378-I380 HydrophobicContact CG-CG1 4.06Å; W378-I380 HydrophobicContact CH2-CD1 4.15Å; W378-I380 HydrophobicContact CZ2-CD1 4.07Å; W378-I380 HydrophobicContact CZ2-CG1 4.1Å; W378-I380 HydrophobicContact CZ3-CD1 4.09Å; I380-F383 HydrophobicContact CG2-CD2 4.07Å; I380-L386 HydrophobicContact CG2-CD1 3.65Å; I380-M398 HydrophobicContact CD1-CE 4.03Å; I380-M398 HydrophobicContact CG1-CE 4.15Å; I380-M398 HydrophobicContact CG2-CE 3.68Å; I380-L416 HydrophobicContact CD1-CD1 3.83Å; I380-T515 CarbonylContact O-C 3.35Å; I380-T515 VanDerWaalsContact O-CA 3.23Å; I380-T515 WeakPolarHBondContact O-CA 3.48Å; I380-L516 HydrophobicContact CB-CB 4.29Å; I380-L516 PolarHBondContact N-O 3.4Å; I380-L516 PolarHBondContact O-N 2.69Å; I380-V518 HydrophobicContact CD1-CG2 4.03Å
381	E	95.9	Very high	92.8	Very high	123 Å²	123	60.2 Å²	60.2	58%	0.575	31%	0.306	S	S	*	.			trans	-91.9	164.9	179.1	-56.6	-180	142.4	0	0	111.2	K379 F383 D514	K379-E381 HydrophobicContact CD-CG 3.91Å; K379-E381 VanDerWaalsContact CE-OE1 3.27Å; K379-E381 WeakPolarHBondContact CE-OE1 3.3Å; K379-E381 HydrophobicContact CG-CG 4.09Å; K379-E381 IonicContact NZ-OE1 3.83Å; K379-E381 PolarHBondContact NZ-OE1 3.31Å; E381-F383 VanDerWaalsContact C-N 3.27Å; E381-F383 PolarHBondContact O-N 3.38Å; E381-D514 CarbonylContact C-O 3.6Å
382	N	94.8	Very high	93.2	Very high	103 Å²	103	58 Å²	58	55%	0.551	30%	0.295	S	S	*	.			trans	56.3	39.8	-177.6	-173.3	22.7	0	0	0	112.4	S384 G385 L386 D514	N382-S384 VanDerWaalsContact C-N 3.27Å; N382-S384 PolarHBondContact O-N 3.06Å; N382-G385 PolarHBondContact O-N 3.36Å; N382-G385 VanDerWaalsContact O-N 3.12Å; N382-G385 PolarHBondContact OD1-N 3.19Å; N382-L386 PolarHBondContact O-N 3.37Å; N382-D514 WeakPolarHBondContact CA-OD2 3.39Å; N382-D514 PolarHBondContact N-O 3.33Å
383	F	96	Very high	93.5	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-64.9	-31.7	-174.5	-171.3	-99.6	0	0	0	112.4	I380 E381 G385 L386 Q387 I418 I430 L502 L505 V511 D514 L516	I380-F383 HydrophobicContact CG2-CD2 4.07Å; E381-F383 VanDerWaalsContact C-N 3.27Å; E381-F383 PolarHBondContact O-N 3.38Å; F383-G385 VanDerWaalsContact C-N 3.31Å; F383-G385 PolarHBondContact O-N 3.08Å; F383-L386 HydrophobicContact CD2-CD1 4.09Å; F383-L386 WeakPolarHBondContact O-CA 3.16Å; F383-L386 WeakPolarHBondContact O-CB 3.5Å; F383-L386 PolarHBondContact O-N 3.47Å; F383-Q387 HydrophobicContact CD1-CG 3.89Å; F383-Q387 VanDerWaalsContact CE1-CD 3.41Å; F383-Q387 HydrophobicContact CE1-CG 3.47Å; F383-Q387 VanDerWaalsContact CE1-CG 3.47Å; F383-Q387 HydrophobicContact CZ-CG 4.05Å; F383-Q387 PolarHBondContact O-N 3.37Å; F383-I418 HydrophobicContact CE2-CD1 4.09Å; F383-I418 HydrophobicContact CZ-CD1 4.29Å; F383-I430 HydrophobicContact CZ-CD1 4.24Å; F383-L502 HydrophobicContact CZ-CD2 4.5Å; F383-L505 HydrophobicContact CE1-CD1 3.64Å; F383-L505 HydrophobicContact CZ-CD1 3.79Å; F383-V511 HydrophobicContact CD1-CG1 4.29Å; F383-V511 HydrophobicContact CD1-CG2 3.69Å; F383-V511 HydrophobicContact CE1-CG2 3.92Å; F383-V511 HydrophobicContact CG-CG2 4.44Å; F383-D514 PolarHBondContact N-O 3.3Å; F383-D514 PolarHBondContact N-OD1 3.01Å; F383-L516 HydrophobicContact CD2-CB 3.75Å; F383-L516 HydrophobicContact CD2-CD2 4.01Å; F383-L516 HydrophobicContact CD2-CG 4.47Å; F383-L516 HydrophobicContact CE2-CB 4.16Å; F383-L516 HydrophobicContact CE2-CD2 3.56Å; F383-L516 HydrophobicContact CE2-CG 4.4Å; F383-L516 HydrophobicContact CG-CB 4.05Å; F383-L516 HydrophobicContact CZ-CD2 4.08Å
384	S	94.7	Very high	93.6	Very high	59 Å²	59	62.8 Å²	62.8	41%	0.413	31%	0.306	S	S	.	.	H	α-helix	trans	-58.8	-40	172.4	69.7	0	0	0	0	112.5	N382 L386 Q387 K388 D514	N382-S384 VanDerWaalsContact C-N 3.27Å; N382-S384 PolarHBondContact O-N 3.06Å; S384-L386 VanDerWaalsContact C-N 3.3Å; S384-L386 PolarHBondContact O-N 3.32Å; S384-Q387 PolarHBondContact O-N 2.72Å; S384-K388 WeakPolarHBondContact O-CB 3.37Å; S384-K388 PolarHBondContact O-N 2.86Å; S384-D514 VanDerWaalsContact CB-OD1 3.24Å; S384-D514 WeakPolarHBondContact CB-OD1 3.49Å; S384-D514 WeakPolarHBondContact CB-OD2 3.38Å; S384-D514 PolarHBondContact N-OD1 3.29Å; S384-D514 PolarHBondContact OG-OD1 3.46Å; S384-D514 PolarHBondContact OG-OD2 2.98Å
385	G	94.8	Very high	93.1	Very high	27 Å²	27	66.4 Å²	66.4	28%	0.278	33%	0.329	S	S	.	.	H	α-helix	trans	-65.2	-32	173.5	0	0	0	0	0	113.2	N382 F383 A389	N382-G385 PolarHBondContact O-N 3.36Å; N382-G385 VanDerWaalsContact O-N 3.12Å; N382-G385 PolarHBondContact OD1-N 3.19Å; F383-G385 VanDerWaalsContact C-N 3.31Å; F383-G385 PolarHBondContact O-N 3.08Å; G385-A389 WeakPolarHBondContact O-CB 3.29Å; G385-A389 PolarHBondContact O-N 3.07Å
386	L	94.1	Very high	93	Very high	29 Å²	29	62.7 Å²	62.7	15%	0.152	31%	0.31	C	S	.	.	H	α-helix	trans	-73.5	-41.8	174.4	-57.2	179.3	0	0	0	111.8	I380 N382 F383 S384 A389 Q390 V396 M398 I418	I380-L386 HydrophobicContact CG2-CD1 3.65Å; N382-L386 PolarHBondContact O-N 3.37Å; F383-L386 HydrophobicContact CD2-CD1 4.09Å; F383-L386 WeakPolarHBondContact O-CA 3.16Å; F383-L386 WeakPolarHBondContact O-CB 3.5Å; F383-L386 PolarHBondContact O-N 3.47Å; S384-L386 VanDerWaalsContact C-N 3.3Å; S384-L386 PolarHBondContact O-N 3.32Å; L386-A389 PolarHBondContact O-N 2.95Å; L386-Q390 PolarHBondContact O-N 3.4Å; L386-Q390 VanDerWaalsContact O-N 3.15Å; L386-V396 HydrophobicContact CB-CG1 4.1Å; L386-V396 HydrophobicContact CD2-CG1 3.97Å; L386-V396 HydrophobicContact CG-CG1 4.48Å; L386-M398 HydrophobicContact CD1-CE 3.45Å; L386-M398 VanDerWaalsContact CD1-CE 3.45Å; L386-M398 HydrophobicContact CD1-SD 3.85Å; L386-M398 HydrophobicContact CD2-SD 3.93Å; L386-I418 HydrophobicContact CB-CD1 3.99Å
387	Q	92.8	Very high	92.8	Very high	48 Å²	48	64.7 Å²	64.7	22%	0.224	33%	0.325	C	S	.	.	H	α-helix	trans	-61.6	-48.6	173.3	-67	-171.6	-67.8	0	0	111	F383 S384 A389 Q390 E391	F383-Q387 HydrophobicContact CD1-CG 3.89Å; F383-Q387 VanDerWaalsContact CE1-CD 3.41Å; F383-Q387 HydrophobicContact CE1-CG 3.47Å; F383-Q387 VanDerWaalsContact CE1-CG 3.47Å; F383-Q387 HydrophobicContact CZ-CG 4.05Å; F383-Q387 PolarHBondContact O-N 3.37Å; S384-Q387 PolarHBondContact O-N 2.72Å; Q387-A389 VanDerWaalsContact C-N 3.27Å; Q387-A389 PolarHBondContact O-N 3.15Å; Q387-Q390 PolarHBondContact O-N 3.35Å; Q387-E391 WeakPolarHBondContact O-CG 3.28Å; Q387-E391 PolarHBondContact O-N 3.12Å
388	K	93.7	Very high	92.8	Very high	117 Å²	117	62.8 Å²	62.8	51%	0.509	32%	0.315	S	S	.	.	H	α-helix	trans	-59.9	-35.9	177.1	-174.1	170.6	-171.5	-80.1	0	112.7	S384 E391 E392	S384-K388 WeakPolarHBondContact O-CB 3.37Å; S384-K388 PolarHBondContact O-N 2.86Å; K388-E391 PolarHBondContact O-N 2.72Å; K388-E392 IonicContact NZ-OE1 3.43Å; K388-E392 PolarHBondContact NZ-OE1 3.37Å; K388-E392 WeakPolarHBondContact O-CB 3.28Å; K388-E392 VanDerWaalsContact O-CG 3.25Å; K388-E392 WeakPolarHBondContact O-CG 3.5Å; K388-E392 PolarHBondContact O-N 3.09Å
389	A	92	Very high	92.7	Very high	7 Å²	7	65 Å²	65	6%	0.058	33%	0.326	C	S	.	.	H	α-helix	trans	-63.3	-41.2	174	0	0	0	0	0	112.3	G385 L386 Q387 E392 R394 V396	G385-A389 WeakPolarHBondContact O-CB 3.29Å; G385-A389 PolarHBondContact O-N 3.07Å; L386-A389 PolarHBondContact O-N 2.95Å; Q387-A389 VanDerWaalsContact C-N 3.27Å; Q387-A389 PolarHBondContact O-N 3.15Å; A389-E392 CarbonylContact O-C 3.51Å; A389-E392 PolarHBondContact O-N 3.04Å; A389-R394 HydrophobicContact CB-CB 4.48Å; A389-R394 WeakPolarHBondContact O-CA 3.1Å; A389-R394 VanDerWaalsContact O-CB 3.32Å; A389-R394 WeakPolarHBondContact O-CB 3.5Å; A389-R394 PolarHBondContact O-N 3Å; A389-V396 HydrophobicContact CB-CG2 3.75Å
390	Q	94	Very high	92.7	Very high	4 Å²	4	60.1 Å²	60.1	2%	0.019	31%	0.306	C	S	.	.	H	α-helix	trans	-69.5	-36.9	176.3	-179.4	-91.8	-3.1	0	0	112.5	L386 Q387 E392 E393 V396 I418 Q419 L420 P421 N428	L386-Q390 PolarHBondContact O-N 3.4Å; L386-Q390 VanDerWaalsContact O-N 3.15Å; Q387-Q390 PolarHBondContact O-N 3.35Å; Q390-E392 VanDerWaalsContact C-N 3.29Å; Q390-E392 PolarHBondContact O-N 3.29Å; Q390-E393 WeakPolarHBondContact O-CA 3.49Å; Q390-E393 PolarHBondContact O-N 3.37Å; Q390-E393 VanDerWaalsContact O-N 3.08Å; Q390-V396 HydrophobicContact CB-CG2 4.1Å; Q390-I418 HydrophobicContact CB-CB 4.43Å; Q390-I418 HydrophobicContact CB-CG2 4.19Å; Q390-I418 HydrophobicContact CG-CB 4.31Å; Q390-I418 HydrophobicContact CG-CG2 3.82Å; Q390-Q419 WeakPolarHBondContact CG-O 3.41Å; Q390-Q419 PolarHBondContact NE2-O 2.83Å; Q390-L420 HydrophobicContact CG-CD2 4.37Å; Q390-P421 VanDerWaalsContact O-CD 3.24Å; Q390-P421 WeakPolarHBondContact O-CD 3.32Å; Q390-N428 PolarHBondContact NE2-OD1 3.09Å
391	E	91.3	Very high	92.5	Very high	134 Å²	134	63.5 Å²	63.5	63%	0.626	33%	0.329	S	S	*	.	H	α-helix	trans	-64.6	-32.1	172.5	-69.6	176.9	165.8	0	0	112.3	Q387 K388 E393	Q387-E391 WeakPolarHBondContact O-CG 3.28Å; Q387-E391 PolarHBondContact O-N 3.12Å; K388-E391 PolarHBondContact O-N 2.72Å; E391-E393 PolarHBondContact O-N 2.71Å
392	E	92.1	Very high	92.4	Very high	90 Å²	90	58.5 Å²	58.5	42%	0.421	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	14.1	171.5	-70.1	169.8	179.2	0	0	113.5	K388 A389 Q390 R394	K388-E392 IonicContact NZ-OE1 3.43Å; K388-E392 PolarHBondContact NZ-OE1 3.37Å; K388-E392 WeakPolarHBondContact O-CB 3.28Å; K388-E392 VanDerWaalsContact O-CG 3.25Å; K388-E392 WeakPolarHBondContact O-CG 3.5Å; K388-E392 PolarHBondContact O-N 3.09Å; A389-E392 CarbonylContact O-C 3.51Å; A389-E392 PolarHBondContact O-N 3.04Å; Q390-E392 VanDerWaalsContact C-N 3.29Å; Q390-E392 PolarHBondContact O-N 3.29Å; E392-R394 HydrophobicContact CB-CG 4.17Å; E392-R394 PolarHBondContact O-N 3.44Å; E392-R394 VanDerWaalsContact O-N 3.11Å; E392-R394 IonicContact OE2-CZ 3.69Å; E392-R394 IonicContact OE2-NE 3.5Å; E392-R394 PolarHBondContact OE2-NE 2.91Å; E392-R394 IonicContact OE2-NH2 2.72Å; E392-R394 PolarHBondContact OE2-NH2 2.69Å
393	E	87.7	Confident	92.4	Very high	105 Å²	105	53.6 Å²	53.6	49%	0.491	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	19.1	-173.9	-55.4	-158.2	145.7	0	0	115.4	Q390 E391 L420 N422	Q390-E393 WeakPolarHBondContact O-CA 3.49Å; Q390-E393 PolarHBondContact O-N 3.37Å; Q390-E393 VanDerWaalsContact O-N 3.08Å; E391-E393 PolarHBondContact O-N 2.71Å; E393-L420 WeakPolarHBondContact O-CD1 3.41Å; E393-N422 PolarHBondContact OE1-ND2 2.74Å; E393-N422 PolarHBondContact OE2-ND2 2.8Å
394	R	86.8	Confident	92.3	Very high	128 Å²	128	53.7 Å²	53.7	48%	0.483	29%	0.285	S	S	.	.			trans	-84.9	131.3	177.6	-56.3	-171.4	-74.3	107.4	-5.6	110.1	A389 E392 V396 L420	A389-R394 HydrophobicContact CB-CB 4.48Å; A389-R394 WeakPolarHBondContact O-CA 3.1Å; A389-R394 VanDerWaalsContact O-CB 3.32Å; A389-R394 WeakPolarHBondContact O-CB 3.5Å; A389-R394 PolarHBondContact O-N 3Å; E392-R394 HydrophobicContact CB-CG 4.17Å; E392-R394 PolarHBondContact O-N 3.44Å; E392-R394 VanDerWaalsContact O-N 3.11Å; E392-R394 IonicContact OE2-CZ 3.69Å; E392-R394 IonicContact OE2-NE 3.5Å; E392-R394 PolarHBondContact OE2-NE 2.91Å; E392-R394 IonicContact OE2-NH2 2.72Å; E392-R394 PolarHBondContact OE2-NH2 2.69Å; R394-V396 WeakPolarHBondContact O-CG2 3.48Å; R394-V396 PolarHBondContact O-N 2.8Å; R394-L420 WeakPolarHBondContact O-CD2 3.32Å
395	P	78.5	Confident	92.2	Very high	78 Å²	78	51.7 Å²	51.7	51%	0.506	27%	0.27	S	S	.	.			trans	-67.4	127.5	-175.9	26.2	-34	0	0	0	111.8	P63	P63-P395 HydrophobicContact CG-CG 4.28Å
396	V	91.4	Very high	92	Very high	8 Å²	8	50.9 Å²	50.9	5%	0.048	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	88.7	-177.6	-174.9	0	0	0	0	110	L386 A389 Q390 R394 H417 I418	L386-V396 HydrophobicContact CB-CG1 4.1Å; L386-V396 HydrophobicContact CD2-CG1 3.97Å; L386-V396 HydrophobicContact CG-CG1 4.48Å; A389-V396 HydrophobicContact CB-CG2 3.75Å; Q390-V396 HydrophobicContact CB-CG2 4.1Å; R394-V396 WeakPolarHBondContact O-CG2 3.48Å; R394-V396 PolarHBondContact O-N 2.8Å; V396-H417 CarbonylContact O-C 3.55Å; V396-H417 VanDerWaalsContact O-CA 3.27Å; V396-H417 WeakPolarHBondContact O-CA 3.44Å; V396-H417 PolarHBondContact O-CD2 2.64Å; V396-I418 HydrophobicContact CB-CB 4.06Å; V396-I418 HydrophobicContact CB-CD1 4.39Å; V396-I418 HydrophobicContact CB-CG1 4.1Å; V396-I418 HydrophobicContact CG1-CB 4.42Å; V396-I418 HydrophobicContact CG1-CD1 3.91Å; V396-I418 HydrophobicContact CG1-CG1 3.89Å; V396-I418 PolarHBondContact O-N 3.34Å
397	V	92.6	Very high	91.6	Very high	72 Å²	72	55.8 Å²	55.8	44%	0.436	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	124.6	176.3	-176.7	0	0	0	0	109.7	R415 L416 H417	V397-R415 HydrophobicContact CG1-CG 4.24Å; V397-L416 WeakPolarHBondContact CA-O 3.46Å; V397-H417 HydrophobicContact CG2-CB 4.28Å
398	M	94.7	Very high	91.4	Very high	49 Å²	49	57.5 Å²	57.5	24%	0.241	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	156.9	179.8	-59.2	-160.5	-51.1	0	0	111.3	W378 I380 L386 R415 L416	W378-M398 HydrophobicContact CH2-CB 3.9Å; W378-M398 HydrophobicContact CH2-CE 4.48Å; W378-M398 HydrophobicContact CZ2-CB 4.04Å; W378-M398 HydrophobicContact CZ2-CE 4.18Å; I380-M398 HydrophobicContact CD1-CE 4.03Å; I380-M398 HydrophobicContact CG1-CE 4.15Å; I380-M398 HydrophobicContact CG2-CE 3.68Å; L386-M398 HydrophobicContact CD1-CE 3.45Å; L386-M398 VanDerWaalsContact CD1-CE 3.45Å; L386-M398 HydrophobicContact CD1-SD 3.85Å; L386-M398 HydrophobicContact CD2-SD 3.93Å; M398-R415 CarbonylContact O-C 3.54Å; M398-R415 WeakPolarHBondContact O-CA 3.39Å; M398-L416 HydrophobicContact CE-CD2 4.41Å; M398-L416 PolarHBondContact N-O 3.26Å; M398-L416 PolarHBondContact O-N 2.89Å
399	H	95.6	Very high	91.3	Very high	66 Å²	66	52.1 Å²	52.1	31%	0.306	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	145	173.4	-60.1	81.6	0	0	0	109.6	W378 L414 R415 R489	W378-H399 VanDerWaalsContact CZ2-C 3.45Å; H399-L414 CarbonylContact C-O 3.47Å; H399-L414 VanDerWaalsContact CA-O 3.23Å; H399-L414 WeakPolarHBondContact CA-O 3.47Å; H399-R415 WeakPolarHBondContact NE2-CD 3.44Å; H399-R415 WeakPolarHBondContact NE2-CG 3.32Å; H399-R489 PolarHBondContact CD2-NH1 3.15Å; H399-R489 VanDerWaalsContact CG-NH1 3.3Å; H399-R489 PolarHBondContact NE2-NH1 3.23Å
400	S	95.4	Very high	91.4	Very high	11 Å²	11	52 Å²	52	8%	0.077	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-74.8	162.2	170.9	74.8	0	0	0	0	111	L414	S400-L414 PolarHBondContact N-O 2.62Å; S400-L414 PolarHBondContact OG-N 3.01Å
401	P	93.4	Very high	91.4	Very high	76 Å²	76	52.6 Å²	52.6	49%	0.494	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-46.2	154.8	151.5	-27.3	34.9	0	0	0	112.3	Y376	Y376-P401 WeakPolarHBondContact OH-CD 3.31Å
402	G	93.3	Very high	91.6	Very high	18 Å²	18	46.3 Å²	46.3	19%	0.186	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-69.2	148	169.6	0	0	0	0	0	111	A369 L412	A369-G402 WeakPolarHBondContact CB-O 3.34Å; G402-L412 CarbonylContact C-O 3.37Å; G402-L412 VanDerWaalsContact CA-O 3.27Å; G402-L412 WeakPolarHBondContact CA-O 3.29Å
403	F	95.2	Very high	91.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	154.9	174.5	65.1	-87.5	0	0	0	110.3	C372 Y376 K411 L412 L414 C520 V522	C372-F403 HydrophobicContact CB-CB 4.21Å; Y376-F403 HydrophobicContact CD1-CB 4.45Å; Y376-F403 AromaticContact CD1-CD1 3.34Å; Y376-F403 HydrophobicContact CD1-CD1 3.34Å; Y376-F403 AromaticContact CD1-CE1 3.58Å; Y376-F403 HydrophobicContact CD1-CE1 3.58Å; Y376-F403 AromaticContact CD1-CG 3.89Å; Y376-F403 HydrophobicContact CD1-CG 3.89Å; Y376-F403 HydrophobicContact CD1-CZ 4.29Å; Y376-F403 HydrophobicContact CD2-CB 3.74Å; Y376-F403 HydrophobicContact CD2-CD1 4.2Å; Y376-F403 AromaticContact CD2-CG 4Å; Y376-F403 HydrophobicContact CD2-CG 4Å; Y376-F403 AromaticContact CE1-CD1 3.84Å; Y376-F403 HydrophobicContact CE1-CD1 3.84Å; Y376-F403 HydrophobicContact CE1-CE1 4.26Å; Y376-F403 HydrophobicContact CE2-CB 4.26Å; Y376-F403 HydrophobicContact CG-CB 3.86Å; Y376-F403 AromaticContact CG-CD1 3.55Å; Y376-F403 HydrophobicContact CG-CD1 3.55Å; Y376-F403 HydrophobicContact CG-CD2 4.07Å; Y376-F403 HydrophobicContact CG-CE1 4.06Å; Y376-F403 AromaticContact CG-CG 3.55Å; Y376-F403 HydrophobicContact CG-CG 3.55Å; F403-K411 WeakPolarHBondContact O-CA 3.23Å; F403-L412 VanDerWaalsContact CD1-O 3.31Å; F403-L412 WeakPolarHBondContact CD1-O 3.45Å; F403-L412 HydrophobicContact CE1-CB 4.03Å; F403-L412 HydrophobicContact CE2-CB 4.01Å; F403-L412 HydrophobicContact CE2-CD1 4.13Å; F403-L412 HydrophobicContact CZ-CB 3.73Å; F403-L412 HydrophobicContact CZ-CD1 4.26Å; F403-L412 PolarHBondContact N-O 2.93Å; F403-L412 PolarHBondContact O-N 3.07Å; F403-L414 HydrophobicContact CE1-CG 4.24Å; F403-C520 HydrophobicContact CZ-CB 4.04Å; F403-V522 HydrophobicContact CE2-CG2 4.36Å
404	Y	94.1	Very high	92.3	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.008	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	146	-180	-73.8	-90.3	0	0	0	112.7	E366 A369 Q370 G374 G406 G409 Y410 K411 Y441	E366-Y404 WeakPolarHBondContact OE1-CE2 3.35Å; E366-Y404 VanDerWaalsContact OE1-CZ 3.32Å; E366-Y404 PolarHBondContact OE1-OH 2.92Å; A369-Y404 HydrophobicContact CB-CD2 3.91Å; A369-Y404 HydrophobicContact CB-CE2 4.19Å; A369-Y404 PolarHBondContact O-N 2.96Å; Q370-Y404 HydrophobicContact CB-CD2 4.36Å; Q370-Y404 HydrophobicContact CG-CD2 3.54Å; Q370-Y404 HydrophobicContact CG-CE2 3.67Å; Q370-Y404 HydrophobicContact CG-CG 4.26Å; G374-Y404 PolarHBondContact N-O 3.06Å; G374-Y404 VanDerWaalsContact N-O 3.15Å; Y404-G406 PolarHBondContact O-N 3.38Å; Y404-G409 WeakPolarHBondContact CD1-O 3.44Å; Y404-Y410 WeakPolarHBondContact CA-O 3.11Å; Y404-K411 HydrophobicContact CD1-CB 4.03Å; Y404-K411 HydrophobicContact CD1-CG 4.35Å; Y404-K411 HydrophobicContact CD2-CG 4.44Å; Y404-K411 HydrophobicContact CE1-CB 3.7Å; Y404-K411 HydrophobicContact CE1-CD 4.21Å; Y404-K411 HydrophobicContact CE1-CG 3.99Å; Y404-K411 HydrophobicContact CE2-CD 4.08Å; Y404-K411 HydrophobicContact CE2-CG 4.09Å; Y404-Y441 HydrophobicContact CD1-CD2 4.49Å; Y404-Y441 HydrophobicContact CE1-CD2 4.17Å; Y404-Y441 HydrophobicContact CE1-CE2 4.3Å
405	T	93.3	Very high	92.8	Very high	16 Å²	16	33.4 Å²	33.4	10%	0.098	19%	0.189	C	C	.	.	S	Bend	trans	-74.7	-11.1	172.4	51.8	0	0	0	0	113.8	N373 G374 Y410 L412 V522 T524	N373-T405 CarbonylContact C-O 3.6Å; G374-T405 PolarHBondContact N-O 3.11Å; T405-Y410 PolarHBondContact N-O 2.88Å; T405-Y410 PolarHBondContact OG1-N 3Å; T405-Y410 PolarHBondContact OG1-O 3.41Å; T405-Y410 VanDerWaalsContact OG1-O 3.11Å; T405-L412 HydrophobicContact CG2-CD1 3.67Å; T405-L412 HydrophobicContact CG2-CG 4.34Å; T405-V522 HydrophobicContact CG2-CB 3.91Å; T405-V522 HydrophobicContact CG2-CG1 3.53Å; T405-T524 HydrophobicContact CG2-CG2 4.28Å
406	G	89.6	Confident	93.6	Very high	11 Å²	11	29.7 Å²	29.7	11%	0.113	17%	0.165	C	C	.	.	S	Bend	trans	163.8	-175.5	-179.2	0	0	0	0	0	110.5	Y404 P408 G409	Y404-G406 PolarHBondContact O-N 3.38Å; G406-P408 VanDerWaalsContact C-C 3.46Å; G406-P408 CarbonylContact C-O 3.59Å; G406-P408 VanDerWaalsContact C-O 3.3Å; G406-P408 CarbonylContact O-C 3.56Å; G406-G409 WeakPolarHBondContact O-CA 3.2Å; G406-G409 PolarHBondContact O-N 3Å
407	K	86	Confident	93.8	Very high	131 Å²	131	31.3 Å²	31.3	57%	0.57	17%	0.172	S	C	*	.	S	Bend	trans	-132.7	101.7	173.8	-173.1	165	-178.4	161.6	0	110.3	Y441	K407-Y441 VanDerWaalsContact CE-OH 3.28Å; K407-Y441 WeakPolarHBondContact CE-OH 2.8Å; K407-Y441 HydrophobicContact CG-CE2 4.46Å
408	P	88.8	Confident	93.9	Very high	85 Å²	85	27.9 Å²	27.9	55%	0.552	15%	0.151	S	C	*	.	S	Bend	cis	-67.1	157.3	-2.2	31.3	-37.2	0	0	0	112.7	G406 Y441	G406-P408 VanDerWaalsContact C-C 3.46Å; G406-P408 CarbonylContact C-O 3.59Å; G406-P408 VanDerWaalsContact C-O 3.3Å; G406-P408 CarbonylContact O-C 3.56Å; P408-Y441 HydrophobicContact CB-CD1 3.55Å; P408-Y441 HydrophobicContact CB-CD2 4.32Å; P408-Y441 HydrophobicContact CB-CE1 4.21Å; P408-Y441 HydrophobicContact CB-CG 3.64Å
409	G	91.2	Very high	93.8	Very high	3 Å²	3	26.6 Å²	26.6	3%	0.031	14%	0.144	C	C	.	.			trans	-178	161.3	178.9	0	0	0	0	0	112.9	Y404 G406	Y404-G409 WeakPolarHBondContact CD1-O 3.44Å; G406-G409 WeakPolarHBondContact O-CA 3.2Å; G406-G409 PolarHBondContact O-N 3Å
410	Y	93.8	Very high	93.6	Very high	4 Å²	4	25 Å²	25	2%	0.016	14%	0.138	C	C	.	.			trans	-65.7	143.9	175.4	-53.2	-88	0	0	0	111.4	Y404 T405 L445 P446 W447 F449 T524	Y404-Y410 WeakPolarHBondContact CA-O 3.11Å; T405-Y410 PolarHBondContact N-O 2.88Å; T405-Y410 PolarHBondContact OG1-N 3Å; T405-Y410 PolarHBondContact OG1-O 3.41Å; T405-Y410 VanDerWaalsContact OG1-O 3.11Å; Y410-L445 HydrophobicContact CD1-CB 4.26Å; Y410-L445 HydrophobicContact CD1-CD1 3.76Å; Y410-L445 HydrophobicContact CD2-CD1 4.43Å; Y410-L445 HydrophobicContact CE1-CB 3.73Å; Y410-L445 HydrophobicContact CE1-CD1 4.09Å; Y410-L445 HydrophobicContact CE1-CG 4.38Å; Y410-L445 HydrophobicContact CE2-CD2 4.3Å; Y410-L445 HydrophobicContact CG-CD1 3.96Å; Y410-P446 WeakPolarHBondContact CE1-O 3.37Å; Y410-P446 WeakPolarHBondContact OH-CD 3.39Å; Y410-P446 WeakPolarHBondContact OH-CG 3.48Å; Y410-P446 PolarHBondContact OH-O 3.43Å; Y410-W447 AromaticContact CD1-CH2 3.6Å; Y410-W447 HydrophobicContact CD1-CH2 3.6Å; Y410-W447 AromaticContact CD1-CZ2 3.55Å; Y410-W447 HydrophobicContact CD1-CZ2 3.55Å; Y410-W447 HydrophobicContact CD1-CZ3 4.13Å; Y410-W447 HydrophobicContact CE1-CD2 4.12Å; Y410-W447 AromaticContact CE1-CE2 3.89Å; Y410-W447 HydrophobicContact CE1-CE3 4.28Å; Y410-W447 HydrophobicContact CE1-CH2 4.09Å; Y410-W447 AromaticContact CE1-CZ2 3.91Å; Y410-W447 HydrophobicContact CE1-CZ2 3.91Å; Y410-W447 HydrophobicContact CE1-CZ3 4.27Å; Y410-F449 AromaticContact CD1-CD2 3.81Å; Y410-F449 HydrophobicContact CD1-CD2 3.81Å; Y410-F449 AromaticContact CD2-CD2 3.52Å; Y410-F449 HydrophobicContact CD2-CD2 3.52Å; Y410-F449 AromaticContact CD2-CE2 3.59Å; Y410-F449 HydrophobicContact CD2-CE2 3.59Å; Y410-F449 HydrophobicContact CE1-CB 4.36Å; Y410-F449 AromaticContact CE1-CD2 3.9Å; Y410-F449 HydrophobicContact CE1-CD2 3.9Å; Y410-F449 AromaticContact CE2-CD2 3.63Å; Y410-F449 HydrophobicContact CE2-CD2 3.63Å; Y410-F449 AromaticContact CE2-CE2 3.87Å; Y410-F449 HydrophobicContact CE2-CE2 3.87Å; Y410-F449 AromaticContact CG-CD2 3.61Å; Y410-F449 HydrophobicContact CG-CD2 3.61Å; Y410-F449 HydrophobicContact CG-CE2 4.01Å; Y410-F449 AromaticContact CZ-CD2 3.8Å; Y410-T524 HydrophobicContact CD2-CG2 3.93Å; Y410-T524 HydrophobicContact CE2-CG2 4.01Å
411	K	94.9	Very high	93.2	Very high	18 Å²	18	26.9 Å²	26.9	8%	0.078	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	133.6	170.8	-159.7	177.7	-165.8	163.1	0	110.4	E366 F403 Y404 M437 Q438	E366-K411 IonicContact OE1-NZ 3.86Å; E366-K411 PolarHBondContact OE1-NZ 3.27Å; E366-K411 IonicContact OE2-NZ 2.67Å; E366-K411 PolarHBondContact OE2-NZ 3.22Å; F403-K411 WeakPolarHBondContact O-CA 3.23Å; Y404-K411 HydrophobicContact CD1-CB 4.03Å; Y404-K411 HydrophobicContact CD1-CG 4.35Å; Y404-K411 HydrophobicContact CD2-CG 4.44Å; Y404-K411 HydrophobicContact CE1-CB 3.7Å; Y404-K411 HydrophobicContact CE1-CD 4.21Å; Y404-K411 HydrophobicContact CE1-CG 3.99Å; Y404-K411 HydrophobicContact CE2-CD 4.08Å; Y404-K411 HydrophobicContact CE2-CG 4.09Å; K411-M437 HydrophobicContact CB-CB 4.05Å; K411-M437 HydrophobicContact CD-CB 4.2Å; K411-M437 HydrophobicContact CG-CB 3.98Å; K411-M437 PolarHBondContact O-N 3.34Å; K411-Q438 WeakPolarHBondContact CD-O 3.15Å
412	L	95.3	Very high	92.7	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	159.4	-176.8	-58.4	174.8	0	0	0	110.2	G402 F403 T405 V434 H435 T436 V522	G402-L412 CarbonylContact C-O 3.37Å; G402-L412 VanDerWaalsContact CA-O 3.27Å; G402-L412 WeakPolarHBondContact CA-O 3.29Å; F403-L412 VanDerWaalsContact CD1-O 3.31Å; F403-L412 WeakPolarHBondContact CD1-O 3.45Å; F403-L412 HydrophobicContact CE1-CB 4.03Å; F403-L412 HydrophobicContact CE2-CB 4.01Å; F403-L412 HydrophobicContact CE2-CD1 4.13Å; F403-L412 HydrophobicContact CZ-CB 3.73Å; F403-L412 HydrophobicContact CZ-CD1 4.26Å; F403-L412 PolarHBondContact N-O 2.93Å; F403-L412 PolarHBondContact O-N 3.07Å; T405-L412 HydrophobicContact CG2-CD1 3.67Å; T405-L412 HydrophobicContact CG2-CG 4.34Å; L412-V434 HydrophobicContact CB-CG2 4.26Å; L412-V434 HydrophobicContact CD1-CG2 4.28Å; L412-V434 HydrophobicContact CD2-CG2 4.38Å; L412-H435 WeakPolarHBondContact CA-O 3.43Å; L412-T436 HydrophobicContact CD2-CG2 3.8Å; L412-V522 HydrophobicContact CD1-CB 4.44Å; L412-V522 HydrophobicContact CD1-CG1 4.11Å; L412-V522 HydrophobicContact CD1-CG2 3.8Å
413	C	96	Very high	92.1	Very high	2 Å²	2	27 Å²	27	1%	0.014	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	161.6	161.3	70.5	0	0	0	0	111.3	H435 M437 R489	C413-H435 PolarHBondContact N-O 2.77Å; C413-H435 PolarHBondContact O-N 3.48Å; C413-M437 HydrophobicContact CB-CG 4.36Å; C413-M437 HydrophobicContact CB-SD 3.6Å; C413-R489 WeakPolarHBondContact SG-CD 3.36Å
414	L	97.6	Very high	91.2	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	153.1	171.2	-61.3	-179.6	0	0	0	111.2	Y376 W378 H399 S400 F403 F433 V434 L455 V518 C520	Y376-L414 HydrophobicContact CD1-CD1 4.36Å; W378-L414 HydrophobicContact CB-CD1 4.41Å; W378-L414 HydrophobicContact CE3-CB 3.79Å; W378-L414 HydrophobicContact CE3-CD1 4Å; W378-L414 HydrophobicContact CZ3-CB 3.88Å; H399-L414 CarbonylContact C-O 3.47Å; H399-L414 VanDerWaalsContact CA-O 3.23Å; H399-L414 WeakPolarHBondContact CA-O 3.47Å; S400-L414 PolarHBondContact N-O 2.62Å; S400-L414 PolarHBondContact OG-N 3.01Å; F403-L414 HydrophobicContact CE1-CG 4.24Å; L414-F433 CarbonylContact C-O 3.57Å; L414-F433 WeakPolarHBondContact CA-O 3.32Å; L414-V434 HydrophobicContact CD2-CB 4.36Å; L414-L455 HydrophobicContact CD2-CD2 3.67Å; L414-V518 HydrophobicContact CD1-CG1 3.88Å; L414-C520 HydrophobicContact CD1-CB 4.1Å; L414-C520 HydrophobicContact CD2-CB 3.98Å; L414-C520 HydrophobicContact CG-CB 4.4Å
415	R	97.4	Very high	90.3	Very high	50 Å²	50	44.3 Å²	44.3	19%	0.189	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	124.5	164.8	-177.9	-179.5	71.5	168.5	2.4	108.7	V397 M398 H399 F433 H435	V397-R415 HydrophobicContact CG1-CG 4.24Å; M398-R415 CarbonylContact O-C 3.54Å; M398-R415 WeakPolarHBondContact O-CA 3.39Å; H399-R415 WeakPolarHBondContact NE2-CD 3.44Å; H399-R415 WeakPolarHBondContact NE2-CG 3.32Å; R415-F433 HydrophobicContact CB-CB 4.35Å; R415-F433 HydrophobicContact CB-CD2 4.48Å; R415-F433 PolarHBondContact N-O 2.87Å; R415-F433 VanDerWaalsContact NH2-CD2 3.33Å; R415-F433 VanDerWaalsContact NH2-CE2 3.31Å; R415-F433 PolarHBondContact O-N 3.11Å; R415-H435 PolarHBondContact NE-NE2 3.47Å
416	L	97.3	Very high	90	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	137.9	170.4	176.7	145	0	0	0	109.1	W378 I380 V397 M398 I418 I430 S431 L432 L516	W378-L416 HydrophobicContact CH2-CB 3.84Å; W378-L416 HydrophobicContact CZ3-CB 3.68Å; I380-L416 HydrophobicContact CD1-CD1 3.83Å; V397-L416 WeakPolarHBondContact CA-O 3.46Å; M398-L416 HydrophobicContact CE-CD2 4.41Å; M398-L416 PolarHBondContact N-O 3.26Å; M398-L416 PolarHBondContact O-N 2.89Å; L416-I418 HydrophobicContact CD2-CD1 4.41Å; L416-I418 HydrophobicContact CD2-CG1 3.71Å; L416-I430 HydrophobicContact CD1-CG2 3.74Å; L416-I430 HydrophobicContact CG-CG2 4.02Å; L416-S431 WeakPolarHBondContact CA-O 3.5Å; L416-L432 HydrophobicContact CB-CD2 3.86Å; L416-L432 HydrophobicContact CD1-CD2 3.98Å; L416-L432 HydrophobicContact CG-CD2 4.18Å; L416-L516 HydrophobicContact CD1-CD2 4.37Å
417	H	94.7	Very high	89.9	Confident	42 Å²	42	45.1 Å²	45.1	19%	0.194	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	126.9	169.7	179.9	-166.6	0	0	0	108.5	V396 V397 Q419 S431	V396-H417 CarbonylContact O-C 3.55Å; V396-H417 VanDerWaalsContact O-CA 3.27Å; V396-H417 WeakPolarHBondContact O-CA 3.44Å; V396-H417 PolarHBondContact O-CD2 2.64Å; V397-H417 HydrophobicContact CG2-CB 4.28Å; H417-Q419 PolarHBondContact CE1-OE1 3.49Å; H417-Q419 PolarHBondContact ND1-NE2 3.28Å; H417-S431 PolarHBondContact N-O 3.35Å; H417-S431 PolarHBondContact O-N 3.47Å
418	I	95.4	Very high	90.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	112.7	168.5	-40.1	-176	0	0	0	108.4	F383 L386 Q390 V396 L416 L502	F383-I418 HydrophobicContact CE2-CD1 4.09Å; F383-I418 HydrophobicContact CZ-CD1 4.29Å; L386-I418 HydrophobicContact CB-CD1 3.99Å; Q390-I418 HydrophobicContact CB-CB 4.43Å; Q390-I418 HydrophobicContact CB-CG2 4.19Å; Q390-I418 HydrophobicContact CG-CB 4.31Å; Q390-I418 HydrophobicContact CG-CG2 3.82Å; V396-I418 HydrophobicContact CB-CB 4.06Å; V396-I418 HydrophobicContact CB-CD1 4.39Å; V396-I418 HydrophobicContact CB-CG1 4.1Å; V396-I418 HydrophobicContact CG1-CB 4.42Å; V396-I418 HydrophobicContact CG1-CD1 3.91Å; V396-I418 HydrophobicContact CG1-CG1 3.89Å; V396-I418 PolarHBondContact O-N 3.34Å; L416-I418 HydrophobicContact CD2-CD1 4.41Å; L416-I418 HydrophobicContact CD2-CG1 3.71Å; I418-L502 HydrophobicContact CG2-CD1 3.68Å; I418-L502 HydrophobicContact CG2-CD2 3.84Å; I418-L502 HydrophobicContact CG2-CG 4.03Å
419	Q	91.4	Very high	90.6	Very high	22 Å²	22	39.6 Å²	39.6	10%	0.103	19%	0.191	C	C	.	.			trans	-71	135.5	-175.3	-62.1	-71.8	-11.3	0	0	111.3	Q390 H417 A423 C426 N428 F429 S431	Q390-Q419 WeakPolarHBondContact CG-O 3.41Å; Q390-Q419 PolarHBondContact NE2-O 2.83Å; H417-Q419 PolarHBondContact CE1-OE1 3.49Å; H417-Q419 PolarHBondContact ND1-NE2 3.28Å; Q419-A423 HydrophobicContact CB-CB 4.36Å; Q419-C426 WeakPolarHBondContact CB-O 3.41Å; Q419-C426 HydrophobicContact CG-CB 4.27Å; Q419-N428 PolarHBondContact O-N 2.86Å; Q419-F429 VanDerWaalsContact CB-O 3.3Å; Q419-F429 WeakPolarHBondContact CB-O 3.48Å; Q419-F429 HydrophobicContact CG-CB 4.44Å; Q419-F429 VanDerWaalsContact CG-O 3.31Å; Q419-F429 WeakPolarHBondContact CG-O 3.37Å; Q419-F429 PolarHBondContact N-O 2.8Å; Q419-S431 PolarHBondContact NE2-OG 3.28Å
420	L	91.1	Very high	90.8	Very high	32 Å²	32	39.5 Å²	39.5	17%	0.168	19%	0.19	C	C	.	.			trans	-62.6	156.6	-176.2	-58.6	-173.4	0	0	0	113.1	Q390 E393 R394 N422 A423 A427 N428	Q390-L420 HydrophobicContact CG-CD2 4.37Å; E393-L420 WeakPolarHBondContact O-CD1 3.41Å; R394-L420 WeakPolarHBondContact O-CD2 3.32Å; L420-N422 WeakPolarHBondContact CB-OD1 3.47Å; L420-N422 PolarHBondContact O-N 3.47Å; L420-N422 VanDerWaalsContact O-N 3.17Å; L420-A423 WeakPolarHBondContact O-CB 3.45Å; L420-A423 PolarHBondContact O-N 3.21Å; L420-A423 VanDerWaalsContact O-N 3.08Å; L420-A427 VanDerWaalsContact O-CA 3.32Å; L420-A427 WeakPolarHBondContact O-CA 3.32Å; L420-N428 PolarHBondContact O-N 2.93Å
421	P	87	Confident	90.9	Very high	52 Å²	52	39.3 Å²	39.3	34%	0.338	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-25.1	178.2	-22.7	33.9	0	0	0	113.7	Q390 A427	Q390-P421 VanDerWaalsContact O-CD 3.24Å; Q390-P421 WeakPolarHBondContact O-CD 3.32Å; P421-A427 WeakPolarHBondContact O-CB 3.46Å
422	N	84.6	Confident	91	Very high	86 Å²	86	38.5 Å²	38.5	46%	0.46	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-2.4	179.1	63.7	26.4	0	0	0	114.2	E393 L420 Q424	E393-N422 PolarHBondContact OE1-ND2 2.74Å; E393-N422 PolarHBondContact OE2-ND2 2.8Å; L420-N422 WeakPolarHBondContact CB-OD1 3.47Å; L420-N422 PolarHBondContact O-N 3.47Å; L420-N422 VanDerWaalsContact O-N 3.17Å; N422-Q424 PolarHBondContact O-N 2.76Å
423	A	80.7	Confident	91.1	Very high	9 Å²	9	38.9 Å²	38.9	7%	0.074	19%	0.188	C	C	.	.			trans	-69.9	118.5	-172.4	0	0	0	0	0	112.4	Q419 L420 R425 C426 A427	Q419-A423 HydrophobicContact CB-CB 4.36Å; L420-A423 WeakPolarHBondContact O-CB 3.45Å; L420-A423 PolarHBondContact O-N 3.21Å; L420-A423 VanDerWaalsContact O-N 3.08Å; A423-R425 PolarHBondContact O-N 3.23Å; A423-C426 PolarHBondContact O-N 3.2Å; A423-A427 WeakPolarHBondContact O-CA 3.32Å; A423-A427 WeakPolarHBondContact O-CB 3.39Å; A423-A427 PolarHBondContact O-N 3.44Å
424	Q	75.8	Confident	91.1	Very high	153 Å²	153	39 Å²	39	72%	0.715	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	129.6	-177	-64.1	-172.3	-0.7	0	0	111.6	N422 C426	N422-Q424 PolarHBondContact O-N 2.76Å; Q424-C426 PolarHBondContact O-N 2.82Å
425	R	74.7	Confident	90.9	Very high	213 Å²	213	39 Å²	39	80%	0.804	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.7	-16.4	-179.9	-50.8	176.5	-177.8	-98.3	11.9	116.8	H87 A423	H87-R425 PolarHBondContact NE2-NH2 2.87Å; A423-R425 PolarHBondContact O-N 3.23Å
426	C	85.9	Confident	90.8	Very high	16 Å²	16	36.8 Å²	36.8	11%	0.108	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.2	14.5	-178.5	60.7	0	0	0	0	115.1	Q419 A423 Q424 N428 F429 V497 T498	Q419-C426 WeakPolarHBondContact CB-O 3.41Å; Q419-C426 HydrophobicContact CG-CB 4.27Å; A423-C426 PolarHBondContact O-N 3.2Å; Q424-C426 PolarHBondContact O-N 2.82Å; C426-N428 PolarHBondContact O-N 3.13Å; C426-F429 WeakPolarHBondContact O-CB 3.26Å; C426-F429 WeakPolarHBondContact O-CD2 3.43Å; C426-F429 PolarHBondContact O-N 3.49Å; C426-V497 HydrophobicContact CB-CG1 3.91Å; C426-T498 HydrophobicContact CB-CG2 3.91Å
427	A	89.3	Confident	90.6	Very high	29 Å²	29	37.3 Å²	37.3	24%	0.24	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.6	134.4	179	0	0	0	0	0	113.7	L420 P421 A423 F429	L420-A427 VanDerWaalsContact O-CA 3.32Å; L420-A427 WeakPolarHBondContact O-CA 3.32Å; P421-A427 WeakPolarHBondContact O-CB 3.46Å; A423-A427 WeakPolarHBondContact O-CA 3.32Å; A423-A427 WeakPolarHBondContact O-CB 3.39Å; A423-A427 PolarHBondContact O-N 3.44Å; A427-F429 WeakPolarHBondContact O-CD2 3.35Å; A427-F429 PolarHBondContact O-N 2.86Å
428	N	92.9	Very high	90.6	Very high	47 Å²	47	40 Å²	40	25%	0.251	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	22.9	178.3	-48.3	-69.8	0	0	0	115.1	Q390 Q419 L420 C426 H501 L502	Q390-N428 PolarHBondContact NE2-OD1 3.09Å; Q419-N428 PolarHBondContact O-N 2.86Å; L420-N428 PolarHBondContact O-N 2.93Å; C426-N428 PolarHBondContact O-N 3.13Å; N428-H501 PolarHBondContact O-CD2 2.81Å; N428-L502 HydrophobicContact CB-CB 4.48Å; N428-L502 HydrophobicContact CB-CD1 4.19Å; N428-L502 WeakPolarHBondContact O-CB 3.24Å; N428-L502 VanDerWaalsContact O-CG 3.29Å; N428-L502 WeakPolarHBondContact O-CG 3.35Å; N428-L502 PolarHBondContact O-N 3.01Å
429	F	95.3	Very high	90.4	Very high	53 Å²	53	40.5 Å²	40.5	23%	0.232	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	144.5	167.4	-79.2	-99	0	0	0	112.3	Q419 C426 A427 T498 M500 H501	Q419-F429 VanDerWaalsContact CB-O 3.3Å; Q419-F429 WeakPolarHBondContact CB-O 3.48Å; Q419-F429 HydrophobicContact CG-CB 4.44Å; Q419-F429 VanDerWaalsContact CG-O 3.31Å; Q419-F429 WeakPolarHBondContact CG-O 3.37Å; Q419-F429 PolarHBondContact N-O 2.8Å; C426-F429 WeakPolarHBondContact O-CB 3.26Å; C426-F429 WeakPolarHBondContact O-CD2 3.43Å; C426-F429 PolarHBondContact O-N 3.49Å; A427-F429 WeakPolarHBondContact O-CD2 3.35Å; A427-F429 PolarHBondContact O-N 2.86Å; F429-T498 HydrophobicContact CB-CG2 4.48Å; F429-T498 VanDerWaalsContact CD1-CA 3.45Å; F429-T498 HydrophobicContact CD1-CG2 4.09Å; F429-T498 HydrophobicContact CD2-CG2 4.11Å; F429-T498 HydrophobicContact CE1-CG2 4.31Å; F429-T498 HydrophobicContact CE2-CG2 4.34Å; F429-T498 HydrophobicContact CG-CG2 3.97Å; F429-T498 HydrophobicContact CZ-CG2 4.43Å; F429-M500 CarbonylContact C-O 3.58Å; F429-M500 WeakPolarHBondContact CA-O 3.37Å; F429-H501 HydrophobicContact CD1-CB 4.1Å; F429-H501 AromaticContact CD2-CD2 3.93Å; F429-H501 HydrophobicContact CE1-CB 3.81Å; F429-H501 HydrophobicContact CE2-CB 4.35Å; F429-H501 AromaticContact CE2-CD2 3.83Å; F429-H501 HydrophobicContact CZ-CB 3.95Å
430	I	96.1	Very high	90.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	127.1	152.7	-62.5	173.9	0	0	0	107.3	F383 L416 L432 I457 F499 M500 L502 L505 L516	F383-I430 HydrophobicContact CZ-CD1 4.24Å; L416-I430 HydrophobicContact CD1-CG2 3.74Å; L416-I430 HydrophobicContact CG-CG2 4.02Å; I430-L432 HydrophobicContact CG2-CG 4.18Å; I430-I457 HydrophobicContact CD1-CD1 4.08Å; I430-I457 HydrophobicContact CG2-CD1 4.46Å; I430-F499 VanDerWaalsContact O-CB 3.3Å; I430-F499 WeakPolarHBondContact O-CB 3.44Å; I430-F499 PolarHBondContact O-N 2.64Å; I430-M500 PolarHBondContact N-O 2.99Å; I430-M500 PolarHBondContact O-N 3.48Å; I430-L502 HydrophobicContact CD1-CD2 4.25Å; I430-L502 HydrophobicContact CG1-CD2 3.99Å; I430-L505 HydrophobicContact CD1-CD1 4.11Å; I430-L505 HydrophobicContact CD1-CD2 4.44Å; I430-L516 HydrophobicContact CD1-CD2 4.26Å
431	S	96	Very high	90.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	141.3	162.5	-44.8	0	0	0	0	110	L416 H417 Q419 F433 Y496 V497	L416-S431 WeakPolarHBondContact CA-O 3.5Å; H417-S431 PolarHBondContact N-O 3.35Å; H417-S431 PolarHBondContact O-N 3.47Å; Q419-S431 PolarHBondContact NE2-OG 3.28Å; S431-F433 VanDerWaalsContact CB-CE2 3.49Å; S431-Y496 CarbonylContact C-O 3.51Å; S431-Y496 WeakPolarHBondContact CA-O 3.33Å; S431-Y496 WeakPolarHBondContact CB-O 3.3Å; S431-V497 WeakPolarHBondContact CA-O 3.48Å; S431-V497 WeakPolarHBondContact CB-O 3.21Å; S431-V497 PolarHBondContact OG-O 2.86Å
432	L	97.1	Very high	90.5	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	130.3	173.5	-77.4	179.4	0	0	0	110.8	L416 I430 L455 I457 G495 Y496 F499 V518	L416-L432 HydrophobicContact CB-CD2 3.86Å; L416-L432 HydrophobicContact CD1-CD2 3.98Å; L416-L432 HydrophobicContact CG-CD2 4.18Å; I430-L432 HydrophobicContact CG2-CG 4.18Å; L432-L455 HydrophobicContact CB-CD1 4.15Å; L432-I457 HydrophobicContact CD1-CD1 4.47Å; L432-I457 HydrophobicContact CD1-CG1 4.28Å; L432-G495 CarbonylContact O-C 3.56Å; L432-G495 WeakPolarHBondContact O-CA 3.13Å; L432-Y496 PolarHBondContact N-O 3.24Å; L432-Y496 PolarHBondContact O-N 3.08Å; L432-F499 HydrophobicContact CB-CB 4.37Å; L432-F499 HydrophobicContact CB-CD2 4.17Å; L432-F499 HydrophobicContact CB-CG 4.19Å; L432-F499 HydrophobicContact CD1-CD1 3.75Å; L432-F499 HydrophobicContact CD1-CD2 4.16Å; L432-F499 HydrophobicContact CD1-CE1 3.72Å; L432-F499 HydrophobicContact CD1-CE2 4.1Å; L432-F499 HydrophobicContact CD1-CG 3.99Å; L432-F499 HydrophobicContact CD1-CZ 3.9Å; L432-F499 HydrophobicContact CG-CD1 4.34Å; L432-F499 HydrophobicContact CG-CG 4.27Å; L432-V518 HydrophobicContact CD1-CG1 3.67Å; L432-V518 HydrophobicContact CD2-CG1 4.03Å
433	F	96.3	Very high	90.8	Very high	10 Å²	10	42.7 Å²	42.7	4%	0.044	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	147.5	177.1	-47.8	-94.3	0	0	0	110.8	L414 R415 S431 F494 V497	L414-F433 CarbonylContact C-O 3.57Å; L414-F433 WeakPolarHBondContact CA-O 3.32Å; R415-F433 HydrophobicContact CB-CB 4.35Å; R415-F433 HydrophobicContact CB-CD2 4.48Å; R415-F433 PolarHBondContact N-O 2.87Å; R415-F433 VanDerWaalsContact NH2-CD2 3.33Å; R415-F433 VanDerWaalsContact NH2-CE2 3.31Å; R415-F433 PolarHBondContact O-N 3.11Å; S431-F433 VanDerWaalsContact CB-CE2 3.49Å; F433-F494 CarbonylContact C-O 3.49Å; F433-F494 VanDerWaalsContact CA-O 3.26Å; F433-F494 WeakPolarHBondContact CA-O 3.14Å; F433-V497 HydrophobicContact CE1-CG2 4.37Å; F433-V497 HydrophobicContact CZ-CG2 4.22Å
434	V	96.1	Very high	91.2	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.018	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	140.7	163.9	64.9	0	0	0	0	109.4	L412 L414 I453 M473 G493 F494	L412-V434 HydrophobicContact CB-CG2 4.26Å; L412-V434 HydrophobicContact CD1-CG2 4.28Å; L412-V434 HydrophobicContact CD2-CG2 4.38Å; L414-V434 HydrophobicContact CD2-CB 4.36Å; V434-I453 HydrophobicContact CG1-CD1 3.83Å; V434-I453 HydrophobicContact CG1-CG2 4.43Å; V434-I453 HydrophobicContact CG2-CD1 4.43Å; V434-M473 HydrophobicContact CG1-SD 4.07Å; V434-G493 CarbonylContact O-C 3.57Å; V434-G493 VanDerWaalsContact O-CA 3.25Å; V434-G493 WeakPolarHBondContact O-CA 3.46Å; V434-F494 PolarHBondContact N-O 2.77Å; V434-F494 PolarHBondContact O-N 3.31Å
435	H	95.1	Very high	91.9	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.009	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	138.7	174.2	-71.1	-109.7	0	0	0	109.4	L412 C413 R415 R489 N490 P491 G493	L412-H435 WeakPolarHBondContact CA-O 3.43Å; C413-H435 PolarHBondContact N-O 2.77Å; C413-H435 PolarHBondContact O-N 3.48Å; R415-H435 PolarHBondContact NE-NE2 3.47Å; H435-R489 HydrophobicContact CB-CG 3.99Å; H435-N490 PolarHBondContact ND1-O 2.92Å; H435-P491 PolarHBondContact CE1-O 3.47Å; H435-G493 WeakPolarHBondContact CE1-CA 3.25Å; H435-G493 PolarHBondContact CE1-N 3.16Å; H435-G493 VanDerWaalsContact CE1-N 3.27Å; H435-G493 PolarHBondContact ND1-N 2.93Å
436	T	94.3	Very high	92.7	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.012	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	143.2	167.4	44	0	0	0	0	110.6	L412 W447 A481 N490	L412-T436 HydrophobicContact CD2-CG2 3.8Å; T436-W447 HydrophobicContact CG2-CH2 4.44Å; T436-W447 HydrophobicContact CG2-CZ3 4.23Å; T436-A481 VanDerWaalsContact CG2-O 3.25Å; T436-A481 WeakPolarHBondContact CG2-O 3.26Å; T436-A481 PolarHBondContact OG1-O 3.28Å; T436-N490 VanDerWaalsContact O-CB 3.31Å; T436-N490 WeakPolarHBondContact O-CB 3.33Å; T436-N490 PolarHBondContact O-N 3.13Å; T436-N490 VanDerWaalsContact OG1-CB 3.23Å; T436-N490 WeakPolarHBondContact OG1-CB 3.43Å; T436-N490 PolarHBondContact OG1-ND2 2.89Å
437	M	93.8	Very high	93	Very high	11 Å²	11	38.1 Å²	38.1	5%	0.054	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	153.2	178.1	-69.6	-169.7	71.7	0	0	110.6	K411 C413 G439 H488 R489	K411-M437 HydrophobicContact CB-CB 4.05Å; K411-M437 HydrophobicContact CD-CB 4.2Å; K411-M437 HydrophobicContact CG-CB 3.98Å; K411-M437 PolarHBondContact O-N 3.34Å; C413-M437 HydrophobicContact CB-CG 4.36Å; C413-M437 HydrophobicContact CB-SD 3.6Å; M437-G439 PolarHBondContact O-N 3.45Å; M437-H488 VanDerWaalsContact CA-O 3.3Å; M437-H488 WeakPolarHBondContact CA-O 3.17Å; M437-H488 WeakPolarHBondContact CB-O 3.2Å; M437-H488 WeakPolarHBondContact CE-CE1 3.46Å; M437-H488 WeakPolarHBondContact CE-NE2 3.2Å; M437-H488 WeakPolarHBondContact CE-O 3.24Å; M437-R489 HydrophobicContact CE-CB 4.5Å; M437-R489 HydrophobicContact CG-CB 4.18Å; M437-R489 HydrophobicContact CG-CG 4.12Å
438	Q	94	Very high	93.2	Very high	99 Å²	99	38 Å²	38	46%	0.463	20%	0.196	S	C	.	.			trans	-65.4	117	174.9	-167.7	175.6	20.4	0	0	109.6	K411 D442 P485 H488	K411-Q438 WeakPolarHBondContact CD-O 3.15Å; Q438-D442 WeakPolarHBondContact CA-OD2 3.47Å; Q438-P485 HydrophobicContact CB-CB 4.39Å; Q438-H488 PolarHBondContact N-O 2.98Å
439	G	90.9	Very high	93.2	Very high	11 Å²	11	35.8 Å²	35.8	11%	0.113	18%	0.184	C	C	.	.			trans	-108.9	154.4	-176.5	0	0	0	0	0	113.5	M437 Y441 D442	M437-G439 PolarHBondContact O-N 3.45Å; G439-Y441 PolarHBondContact O-N 2.9Å; G439-Y441 VanDerWaalsContact O-N 3.16Å; G439-D442 WeakPolarHBondContact CA-OD1 3.43Å; G439-D442 PolarHBondContact N-OD1 2.86Å; G439-D442 PolarHBondContact N-OD2 2.94Å; G439-D442 WeakPolarHBondContact O-CB 3.26Å; G439-D442 VanDerWaalsContact O-CG 3.25Å; G439-D442 PolarHBondContact O-N 2.83Å
440	E	90.1	Very high	93	Very high	118 Å²	118	37.5 Å²	37.5	55%	0.551	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-30.8	175.1	-177.9	176.2	-151.6	0	0	112.7	Q370	Q370-E440 PolarHBondContact NE2-OE2 3.22Å
441	Y	90.3	Very high	92.8	Very high	35 Å²	35	37.5 Å²	37.5	14%	0.137	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	5.8	-173.3	-52.4	-74.6	0	0	0	114.1	Y404 K407 P408 G439 S443 H444 L445	Y404-Y441 HydrophobicContact CD1-CD2 4.49Å; Y404-Y441 HydrophobicContact CE1-CD2 4.17Å; Y404-Y441 HydrophobicContact CE1-CE2 4.3Å; K407-Y441 VanDerWaalsContact CE-OH 3.28Å; K407-Y441 WeakPolarHBondContact CE-OH 2.8Å; K407-Y441 HydrophobicContact CG-CE2 4.46Å; P408-Y441 HydrophobicContact CB-CD1 3.55Å; P408-Y441 HydrophobicContact CB-CD2 4.32Å; P408-Y441 HydrophobicContact CB-CE1 4.21Å; P408-Y441 HydrophobicContact CB-CG 3.64Å; G439-Y441 PolarHBondContact O-N 2.9Å; G439-Y441 VanDerWaalsContact O-N 3.16Å; Y441-S443 PolarHBondContact O-N 3.26Å; Y441-H444 PolarHBondContact O-N 3.3Å; Y441-L445 WeakPolarHBondContact O-CG 3.24Å; Y441-L445 PolarHBondContact O-N 3.09Å
442	D	92.6	Very high	92.7	Very high	7 Å²	7	39 Å²	39	4%	0.037	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-19	-170.1	-74.4	1.9	0	0	0	114.8	Q438 G439 W447 R484	Q438-D442 WeakPolarHBondContact CA-OD2 3.47Å; G439-D442 WeakPolarHBondContact CA-OD1 3.43Å; G439-D442 PolarHBondContact N-OD1 2.86Å; G439-D442 PolarHBondContact N-OD2 2.94Å; G439-D442 WeakPolarHBondContact O-CB 3.26Å; G439-D442 VanDerWaalsContact O-CG 3.25Å; G439-D442 PolarHBondContact O-N 2.83Å; D442-W447 HydrophobicContact CB-CZ2 4.45Å; D442-W447 PolarHBondContact O-NE1 3.15Å; D442-W447 VanDerWaalsContact O-NE1 3.14Å; D442-R484 PolarHBondContact O-NE 2.87Å
443	S	90.2	Very high	92.7	Very high	77 Å²	77	38.9 Å²	38.9	54%	0.538	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-15.5	172.7	44.7	0	0	0	0	114.4	Y441	Y441-S443 PolarHBondContact O-N 3.26Å
444	H	88.8	Confident	92.8	Very high	154 Å²	154	42 Å²	42	71%	0.713	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.8	-6.5	-174.1	-57	-70.1	0	0	0	113.2	Y441	Y441-H444 PolarHBondContact O-N 3.3Å
445	L	91.3	Very high	92.9	Very high	17 Å²	17	41.8 Å²	41.8	9%	0.089	21%	0.211	C	C	.	.	S	Bend	trans	-96.9	145.6	179.3	-65.8	165.2	0	0	0	111	Y410 Y441	Y410-L445 HydrophobicContact CD1-CB 4.26Å; Y410-L445 HydrophobicContact CD1-CD1 3.76Å; Y410-L445 HydrophobicContact CD2-CD1 4.43Å; Y410-L445 HydrophobicContact CE1-CB 3.73Å; Y410-L445 HydrophobicContact CE1-CD1 4.09Å; Y410-L445 HydrophobicContact CE1-CG 4.38Å; Y410-L445 HydrophobicContact CE2-CD2 4.3Å; Y410-L445 HydrophobicContact CG-CD1 3.96Å; Y441-L445 WeakPolarHBondContact O-CG 3.24Å; Y441-L445 PolarHBondContact O-N 3.09Å
446	P	91.4	Very high	93	Very high	71 Å²	71	41.7 Å²	41.7	46%	0.461	21%	0.211	S	C	.	.			trans	-69.7	141.6	173.2	26.7	-29.4	0	0	0	110.7	Y410 L526	Y410-P446 WeakPolarHBondContact CE1-O 3.37Å; Y410-P446 WeakPolarHBondContact OH-CD 3.39Å; Y410-P446 WeakPolarHBondContact OH-CG 3.48Å; Y410-P446 PolarHBondContact OH-O 3.43Å; P446-L526 HydrophobicContact CG-CD2 3.89Å
447	W	92.3	Very high	93.2	Very high	54 Å²	54	41.6 Å²	41.6	21%	0.205	21%	0.21	C	C	.	.	S	Bend	trans	-133.8	148.9	177.5	-70.7	99.9	0	0	0	110.8	Y410 T436 D442 F449 R484 P485	Y410-W447 AromaticContact CD1-CH2 3.6Å; Y410-W447 HydrophobicContact CD1-CH2 3.6Å; Y410-W447 AromaticContact CD1-CZ2 3.55Å; Y410-W447 HydrophobicContact CD1-CZ2 3.55Å; Y410-W447 HydrophobicContact CD1-CZ3 4.13Å; Y410-W447 HydrophobicContact CE1-CD2 4.12Å; Y410-W447 AromaticContact CE1-CE2 3.89Å; Y410-W447 HydrophobicContact CE1-CE3 4.28Å; Y410-W447 HydrophobicContact CE1-CH2 4.09Å; Y410-W447 AromaticContact CE1-CZ2 3.91Å; Y410-W447 HydrophobicContact CE1-CZ2 3.91Å; Y410-W447 HydrophobicContact CE1-CZ3 4.27Å; T436-W447 HydrophobicContact CG2-CH2 4.44Å; T436-W447 HydrophobicContact CG2-CZ3 4.23Å; D442-W447 HydrophobicContact CB-CZ2 4.45Å; D442-W447 PolarHBondContact O-NE1 3.15Å; D442-W447 VanDerWaalsContact O-NE1 3.14Å; W447-F449 HydrophobicContact CE3-CB 4.18Å; W447-F449 HydrophobicContact CZ3-CB 3.93Å; W447-R484 HydrophobicContact CB-CB 4.1Å; W447-R484 HydrophobicContact CD2-CB 3.63Å; W447-R484 HydrophobicContact CD2-CG 3.95Å; W447-R484 VanDerWaalsContact CE3-CA 3.48Å; W447-R484 HydrophobicContact CE3-CB 4.02Å; W447-R484 HydrophobicContact CG-CB 3.67Å; W447-R484 HydrophobicContact CG-CG 4.02Å; W447-R484 HydrophobicContact CZ2-CG 4.28Å; W447-P485 HydrophobicContact CH2-CG 4.22Å
448	P	92.3	Very high	93.3	Very high	27 Å²	27	42.2 Å²	42.2	18%	0.175	21%	0.213	C	C	.	.	S	Bend	cis	-63.6	158.8	-4.3	27.4	-35.8	0	0	0	113.3	Q450 P477 F482	P448-Q450 PolarHBondContact O-N 3.36Å; P448-P477 HydrophobicContact CG-CB 3.58Å; P448-P477 HydrophobicContact CG-CG 4.41Å; P448-F482 CarbonylContact C-O 3.59Å; P448-F482 VanDerWaalsContact CA-O 3.31Å; P448-F482 WeakPolarHBondContact CA-O 3.32Å; P448-F482 VanDerWaalsContact CB-O 3.27Å; P448-F482 WeakPolarHBondContact CB-O 3.39Å
449	F	92.7	Very high	93.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.193	C	C	.	.			trans	-58.3	132.4	179.9	170.7	-88.2	0	0	0	110.8	Y410 W447 I453 A475 F482 V522 T524	Y410-F449 AromaticContact CD1-CD2 3.81Å; Y410-F449 HydrophobicContact CD1-CD2 3.81Å; Y410-F449 AromaticContact CD2-CD2 3.52Å; Y410-F449 HydrophobicContact CD2-CD2 3.52Å; Y410-F449 AromaticContact CD2-CE2 3.59Å; Y410-F449 HydrophobicContact CD2-CE2 3.59Å; Y410-F449 HydrophobicContact CE1-CB 4.36Å; Y410-F449 AromaticContact CE1-CD2 3.9Å; Y410-F449 HydrophobicContact CE1-CD2 3.9Å; Y410-F449 AromaticContact CE2-CD2 3.63Å; Y410-F449 HydrophobicContact CE2-CD2 3.63Å; Y410-F449 AromaticContact CE2-CE2 3.87Å; Y410-F449 HydrophobicContact CE2-CE2 3.87Å; Y410-F449 AromaticContact CG-CD2 3.61Å; Y410-F449 HydrophobicContact CG-CD2 3.61Å; Y410-F449 HydrophobicContact CG-CE2 4.01Å; Y410-F449 AromaticContact CZ-CD2 3.8Å; W447-F449 HydrophobicContact CE3-CB 4.18Å; W447-F449 HydrophobicContact CZ3-CB 3.93Å; F449-I453 HydrophobicContact CE1-CD1 3.83Å; F449-I453 HydrophobicContact CE1-CG1 4.18Å; F449-I453 HydrophobicContact CZ-CD1 4.3Å; F449-I453 HydrophobicContact CZ-CG1 4.42Å; F449-A475 HydrophobicContact CD1-CB 3.42Å; F449-A475 VanDerWaalsContact CD1-CB 3.42Å; F449-A475 HydrophobicContact CE1-CB 3.54Å; F449-F482 HydrophobicContact CB-CB 4.14Å; F449-F482 HydrophobicContact CB-CD1 4.35Å; F449-F482 AromaticContact CD1-CD1 3.62Å; F449-F482 HydrophobicContact CD1-CD1 3.62Å; F449-F482 HydrophobicContact CD1-CE1 4.07Å; F449-F482 HydrophobicContact CD1-CG 4.32Å; F449-F482 HydrophobicContact CE1-CD1 4.43Å; F449-F482 HydrophobicContact CE1-CE1 4.46Å; F449-F482 HydrophobicContact CG-CD1 4.33Å; F449-F482 PolarHBondContact N-O 2.92Å; F449-V522 HydrophobicContact CE2-CG1 4.17Å; F449-V522 HydrophobicContact CZ-CG1 3.62Å; F449-T524 HydrophobicContact CE2-CG2 4.05Å
450	Q	91.3	Very high	93.5	Very high	89 Å²	89	38.6 Å²	38.6	42%	0.416	19%	0.194	S	C	.	.			trans	-129.3	126.3	177.8	-71.5	175.6	64.7	0	0	109.7	P448 P477 R525	P448-Q450 PolarHBondContact O-N 3.36Å; Q450-P477 HydrophobicContact CG-CG 4.18Å; Q450-R525 HydrophobicContact CB-CB 4.31Å; Q450-R525 PolarHBondContact O-N 3.03Å
451	G	91.4	Very high	93.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.2	158.5	-173.8	0	0	0	0	0	112.7	A475 L523	G451-A475 VanDerWaalsContact O-CB 3.3Å; G451-A475 WeakPolarHBondContact O-CB 3.38Å; G451-A475 PolarHBondContact O-N 3.05Å; G451-L523 CarbonylContact C-O 3.53Å; G451-L523 WeakPolarHBondContact CA-O 3.48Å
452	T	95.3	Very high	93.2	Very high	30 Å²	30	40 Å²	40	18%	0.184	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	132.1	171.1	-44.1	0	0	0	0	108.3	V472 E474 L523	T452-V472 HydrophobicContact CG2-CG1 3.49Å; T452-V472 VanDerWaalsContact CG2-CG1 3.49Å; T452-E474 WeakPolarHBondContact CB-OE1 3.08Å; T452-E474 WeakPolarHBondContact CG2-OE1 3.45Å; T452-E474 PolarHBondContact OG1-OE1 3.33Å; T452-E474 PolarHBondContact OG1-OE2 3.43Å; T452-L523 PolarHBondContact N-O 3.24Å; T452-L523 PolarHBondContact O-N 3.06Å
453	I	96.4	Very high	92.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	126.2	176.1	-59.3	178.6	0	0	0	108.1	V434 F449 L455 M473 F482 E521 V522	V434-I453 HydrophobicContact CG1-CD1 3.83Å; V434-I453 HydrophobicContact CG1-CG2 4.43Å; V434-I453 HydrophobicContact CG2-CD1 4.43Å; F449-I453 HydrophobicContact CE1-CD1 3.83Å; F449-I453 HydrophobicContact CE1-CG1 4.18Å; F449-I453 HydrophobicContact CZ-CD1 4.3Å; F449-I453 HydrophobicContact CZ-CG1 4.42Å; I453-L455 HydrophobicContact CG2-CD2 4.36Å; I453-L455 HydrophobicContact CG2-CG 4.43Å; I453-M473 HydrophobicContact CB-CG 3.67Å; I453-M473 HydrophobicContact CB-SD 4.09Å; I453-M473 HydrophobicContact CG2-CG 4.25Å; I453-M473 HydrophobicContact CG2-SD 4.18Å; I453-M473 PolarHBondContact N-O 3.46Å; I453-M473 WeakPolarHBondContact O-CG 3.49Å; I453-M473 PolarHBondContact O-N 3.05Å; I453-F482 HydrophobicContact CD1-CE1 3.94Å; I453-F482 HydrophobicContact CD1-CZ 4.43Å; I453-E521 CarbonylContact C-O 3.3Å; I453-E521 WeakPolarHBondContact CA-O 3.43Å; I453-V522 HydrophobicContact CG1-CG1 4.1Å; I453-V522 HydrophobicContact CG1-CG2 4.19Å; I453-V522 HydrophobicContact CG2-CG2 4.27Å
454	R	97.8	Very high	91.5	Very high	74 Å²	74	44.1 Å²	44.1	28%	0.279	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	125.2	174.5	161.4	158.8	45.7	-164.5	-5.6	109.2	E470 E471 V472 C520 E521	R454-E470 VanDerWaalsContact CD-CD 3.5Å; R454-E470 WeakPolarHBondContact CD-OE1 3.19Å; R454-E470 IonicContact CZ-OE1 2.61Å; R454-E470 IonicContact NE-OE1 3.27Å; R454-E470 IonicContact NH1-OE1 2.78Å; R454-E470 PolarHBondContact NH1-OE1 3.25Å; R454-E471 WeakPolarHBondContact CA-O 3.34Å; R454-V472 HydrophobicContact CB-CG2 4.12Å; R454-V472 HydrophobicContact CG-CG2 4.28Å; R454-C520 WeakPolarHBondContact O-CA 3.26Å; R454-E521 HydrophobicContact CB-CB 4.26Å; R454-E521 IonicContact CZ-OE1 2.8Å; R454-E521 IonicContact CZ-OE2 3.97Å; R454-E521 PolarHBondContact N-O 2.99Å; R454-E521 IonicContact NE-OE1 2.64Å; R454-E521 PolarHBondContact NE-OE1 3.32Å; R454-E521 IonicContact NE-OE2 2.87Å; R454-E521 IonicContact NH2-OE1 2.69Å; R454-E521 PolarHBondContact NH2-OE1 2.98Å; R454-E521 IonicContact NH2-OE2 2.8Å; R454-E521 PolarHBondContact O-N 2.55Å
455	L	98.1	Very high	90.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	133.2	174.1	-63.6	178.1	0	0	0	108.5	L414 L432 I453 E470 E471 M473 Y496 F499 C520	L414-L455 HydrophobicContact CD2-CD2 3.67Å; L432-L455 HydrophobicContact CB-CD1 4.15Å; I453-L455 HydrophobicContact CG2-CD2 4.36Å; I453-L455 HydrophobicContact CG2-CG 4.43Å; L455-E470 VanDerWaalsContact O-CA 3.26Å; L455-E470 WeakPolarHBondContact O-CA 3.39Å; L455-E471 PolarHBondContact N-O 2.89Å; L455-E471 PolarHBondContact O-N 2.93Å; L455-M473 HydrophobicContact CD1-CE 3.55Å; L455-M473 HydrophobicContact CG-CE 4.13Å; L455-Y496 HydrophobicContact CD1-CD2 4.48Å; L455-F499 HydrophobicContact CB-CE2 3.75Å; L455-F499 HydrophobicContact CB-CZ 4.27Å; L455-F499 WeakPolarHBondContact O-CZ 3.19Å; L455-C520 HydrophobicContact CD2-CB 3.92Å
456	S	97.8	Very high	90.4	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	138.6	-179.6	-39.2	0	0	0	0	111.5	H469 E470 V518 R519	S456-H469 CarbonylContact C-O 3.51Å; S456-H469 VanDerWaalsContact CA-O 3.26Å; S456-H469 WeakPolarHBondContact CA-O 3.25Å; S456-E470 WeakPolarHBondContact OG-CB 3.48Å; S456-V518 CarbonylContact O-C 3.55Å; S456-V518 WeakPolarHBondContact O-CA 3.42Å; S456-R519 PolarHBondContact N-O 2.9Å; S456-R519 PolarHBondContact O-N 2.75Å
457	I	97.9	Very high	90.3	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	124.9	158	-72.8	170	0	0	0	107.2	I430 L432 N468 H469 F499 M500 F510 L516 V518	I430-I457 HydrophobicContact CD1-CD1 4.08Å; I430-I457 HydrophobicContact CG2-CD1 4.46Å; L432-I457 HydrophobicContact CD1-CD1 4.47Å; L432-I457 HydrophobicContact CD1-CG1 4.28Å; I457-N468 WeakPolarHBondContact O-CA 3.21Å; I457-H469 PolarHBondContact N-O 3.14Å; I457-H469 PolarHBondContact O-N 3.43Å; I457-F499 HydrophobicContact CB-CE1 4.25Å; I457-F499 HydrophobicContact CD1-CD1 3.82Å; I457-F499 HydrophobicContact CD1-CE1 3.68Å; I457-F499 HydrophobicContact CG1-CD1 4.33Å; I457-F499 HydrophobicContact CG1-CE1 3.7Å; I457-M500 HydrophobicContact CB-CE 3.83Å; I457-M500 HydrophobicContact CD1-CB 4.07Å; I457-M500 HydrophobicContact CD1-CE 3.98Å; I457-M500 HydrophobicContact CD1-SD 3.95Å; I457-M500 HydrophobicContact CG2-CE 3.79Å; I457-M500 HydrophobicContact CG2-SD 4.4Å; I457-F510 HydrophobicContact CG2-CB 4.21Å; I457-F510 HydrophobicContact CG2-CD1 3.77Å; I457-F510 HydrophobicContact CG2-CE1 4.47Å; I457-F510 HydrophobicContact CG2-CG 4.23Å; I457-L516 HydrophobicContact CG2-CD1 3.75Å; I457-V518 HydrophobicContact CG1-CG2 4.3Å
458	L	96.3	Very high	90.4	Very high	23 Å²	23	53 Å²	53	12%	0.12	27%	0.27	C	S	.	.			trans	-85.9	138.2	-169.7	-57.1	-176	0	0	0	113	I377 N468 L517 R519	I377-L458 HydrophobicContact CG2-CD1 4.43Å; L458-N468 WeakPolarHBondContact CA-OD1 3.33Å; L458-N468 HydrophobicContact CD2-CB 4.36Å; L458-L517 HydrophobicContact CB-CB 4.11Å; L458-L517 HydrophobicContact CD1-CB 4.09Å; L458-L517 HydrophobicContact CD1-CD1 4.46Å; L458-L517 HydrophobicContact CG-CB 4.29Å; L458-L517 PolarHBondContact N-O 3.41Å; L458-R519 HydrophobicContact CD1-CB 4.18Å; L458-R519 HydrophobicContact CD2-CB 3.79Å; L458-R519 HydrophobicContact CG-CB 4.07Å
459	D	95.2	Very high	90.5	Very high	5 Å²	5	55.5 Å²	55.5	3%	0.027	28%	0.279	C	S	.	.			trans	-81.3	115.4	169	-176.9	-12.6	0	0	0	109.4	S461 R466 Q467 N468 R508 F510	D459-S461 VanDerWaalsContact C-N 3.35Å; D459-S461 VanDerWaalsContact CG-OG 3.28Å; D459-S461 VanDerWaalsContact OD1-CB 3.22Å; D459-S461 WeakPolarHBondContact OD1-CB 3.24Å; D459-S461 PolarHBondContact OD1-N 3.08Å; D459-S461 PolarHBondContact OD1-OG 3.03Å; D459-S461 PolarHBondContact OD2-OG 2.88Å; D459-R466 HydrophobicContact CB-CB 4.43Å; D459-Q467 PolarHBondContact OD2-N 2.95Å; D459-N468 PolarHBondContact N-OD1 3.45Å; D459-N468 VanDerWaalsContact N-OD1 3.08Å; D459-R508 WeakPolarHBondContact OD2-CD 3.47Å; D459-R508 IonicContact OD2-CZ 3.64Å; D459-R508 IonicContact OD2-NE 2.81Å; D459-R508 IonicContact OD2-NH1 3.02Å; D459-R508 PolarHBondContact OD2-NH1 3.38Å; D459-F510 HydrophobicContact CB-CD1 4.42Å; D459-F510 HydrophobicContact CB-CE1 4.21Å
460	Q	93.8	Very high	90.7	Very high	29 Å²	29	59.4 Å²	59.4	14%	0.136	30%	0.297	C	S	.	.			trans	-93.2	10.7	-173.7	-51	-172.9	62.5	0	0	113.1	T509 F510 K512 T515 L517	Q460-T509 WeakPolarHBondContact CA-O 3.33Å; Q460-T509 HydrophobicContact CB-CG2 4.47Å; Q460-T509 VanDerWaalsContact CB-O 3.29Å; Q460-T509 WeakPolarHBondContact CB-O 3.39Å; Q460-T509 PolarHBondContact N-O 3.01Å; Q460-F510 PolarHBondContact NE2-O 3.41Å; Q460-K512 HydrophobicContact CB-CB 4.06Å; Q460-K512 HydrophobicContact CB-CD 4.39Å; Q460-T515 PolarHBondContact NE2-O 2.85Å; Q460-L517 HydrophobicContact CG-CD1 4.08Å; Q460-L517 HydrophobicContact CG-CG 4.41Å
461	S	91.6	Very high	90.9	Very high	25 Å²	25	58.9 Å²	58.9	18%	0.175	30%	0.295	C	S	.	.			trans	-60.4	154.9	174.8	55.4	0	0	0	0	112.4	D459 R466	D459-S461 VanDerWaalsContact C-N 3.35Å; D459-S461 VanDerWaalsContact CG-OG 3.28Å; D459-S461 VanDerWaalsContact OD1-CB 3.22Å; D459-S461 WeakPolarHBondContact OD1-CB 3.24Å; D459-S461 PolarHBondContact OD1-N 3.08Å; D459-S461 PolarHBondContact OD1-OG 3.03Å; D459-S461 PolarHBondContact OD2-OG 2.88Å; S461-R466 VanDerWaalsContact O-CZ 3.22Å; S461-R466 PolarHBondContact O-NE 3.1Å; S461-R466 PolarHBondContact O-NH2 3.17Å
462	E	81.9	Confident	91.1	Very high	158 Å²	158	62.3 Å²	62.3	74%	0.738	32%	0.316	S	S	*	.	S	Bend	trans	-95.9	0.2	-175.7	-67.8	175.4	-166.5	0	0	113.5	K512	E462-K512 IonicContact OE1-NZ 2.71Å; E462-K512 PolarHBondContact OE1-NZ 3.37Å
463	G	76.6	Confident	91.1	Very high	38 Å²	38	61.3 Å²	61.3	39%	0.392	31%	0.309	S	S	.	.	S	Bend	trans	-87.1	174.3	176.7	0	0	0	0	0	114.2
464	P	70.8	Confident	90.9	Very high	133 Å²	133	64.9 Å²	64.9	86%	0.864	33%	0.326	S	S	*	.	S	Bend	trans	-72.9	-24.8	179.2	29.5	-34.8	0	0	0	113.7	R466	P464-R466 PolarHBondContact O-N 2.91Å; P464-R466 VanDerWaalsContact O-N 3.07Å
465	E	75.2	Confident	90.5	Very high	156 Å²	156	61.9 Å²	61.9	73%	0.729	32%	0.316	S	S	*	.			trans	-85.3	42.9	-175.7	-59.7	-167.6	155.7	0	0	113.8	Q467 R508	E465-Q467 PolarHBondContact O-N 3.24Å; E465-R508 PolarHBondContact O-NH1 2.87Å
466	R	82.7	Confident	89.9	Confident	148 Å²	148	66.8 Å²	66.8	56%	0.558	34%	0.338	S	S	*	.			trans	-63.1	121.3	173.5	-74.3	-178.7	175.7	173.2	-3	110.2	D459 S461 P464	D459-R466 HydrophobicContact CB-CB 4.43Å; S461-R466 VanDerWaalsContact O-CZ 3.22Å; S461-R466 PolarHBondContact O-NE 3.1Å; S461-R466 PolarHBondContact O-NH2 3.17Å; P464-R466 PolarHBondContact O-N 2.91Å; P464-R466 VanDerWaalsContact O-N 3.07Å
467	Q	89.1	Confident	89	Confident	120 Å²	120	69.3 Å²	69.3	56%	0.561	35%	0.354	S	S	*	.			trans	-123.4	90.6	177.3	-166.6	179.4	11.7	0	0	109.9	D459 E465	D459-Q467 PolarHBondContact OD2-N 2.95Å; E465-Q467 PolarHBondContact O-N 3.24Å
468	N	93.7	Very high	88.2	Confident	58 Å²	58	75.3 Å²	75.3	31%	0.31	38%	0.382	S	S	.	.			trans	-57.2	146.6	168.9	-55.2	-30.6	0	0	0	109.6	I457 L458 D459	I457-N468 WeakPolarHBondContact O-CA 3.21Å; L458-N468 WeakPolarHBondContact CA-OD1 3.33Å; L458-N468 HydrophobicContact CD2-CB 4.36Å; D459-N468 PolarHBondContact N-OD1 3.45Å; D459-N468 VanDerWaalsContact N-OD1 3.08Å
469	H	95.8	Very high	87.6	Confident	80 Å²	80	76.7 Å²	76.7	37%	0.37	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	112.8	165.6	-177.3	91.9	0	0	0	107.4	S456 I457 F499 M500 F510	S456-H469 CarbonylContact C-O 3.51Å; S456-H469 VanDerWaalsContact CA-O 3.26Å; S456-H469 WeakPolarHBondContact CA-O 3.25Å; I457-H469 PolarHBondContact N-O 3.14Å; I457-H469 PolarHBondContact O-N 3.43Å; H469-F499 AromaticContact CD2-CE1 3.59Å; H469-M500 HydrophobicContact CB-CE 3.27Å; H469-F510 HydrophobicContact CB-CE1 4.25Å; H469-F510 HydrophobicContact CB-CZ 4.2Å
470	E	96.4	Very high	87.1	Confident	81 Å²	81	80.3 Å²	80.3	38%	0.379	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	146.8	-174.8	70.5	178.5	-125.2	0	0	113.8	R454 L455 S456	R454-E470 VanDerWaalsContact CD-CD 3.5Å; R454-E470 WeakPolarHBondContact CD-OE1 3.19Å; R454-E470 IonicContact CZ-OE1 2.61Å; R454-E470 IonicContact NE-OE1 3.27Å; R454-E470 IonicContact NH1-OE1 2.78Å; R454-E470 PolarHBondContact NH1-OE1 3.25Å; L455-E470 VanDerWaalsContact O-CA 3.26Å; L455-E470 WeakPolarHBondContact O-CA 3.39Å; S456-E470 WeakPolarHBondContact OG-CB 3.48Å
471	E	95.9	Very high	86.9	Confident	78 Å²	78	79.3 Å²	79.3	36%	0.364	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	145.6	174.9	-80.3	-73.9	178	0	0	109.2	R454 L455 Y496 F499	R454-E471 WeakPolarHBondContact CA-O 3.34Å; L455-E471 PolarHBondContact N-O 2.89Å; L455-E471 PolarHBondContact O-N 2.93Å; E471-Y496 HydrophobicContact CB-CD2 4.11Å; E471-Y496 HydrophobicContact CB-CE1 4.12Å; E471-Y496 HydrophobicContact CB-CE2 3.52Å; E471-Y496 HydrophobicContact CG-CD1 4.44Å; E471-Y496 HydrophobicContact CG-CE1 4.16Å; E471-Y496 HydrophobicContact CG-CE2 4.29Å; E471-F499 HydrophobicContact CB-CD2 4.28Å; E471-F499 HydrophobicContact CB-CE2 3.83Å; E471-F499 HydrophobicContact CG-CD2 4.26Å; E471-F499 HydrophobicContact CG-CE2 4.12Å
472	V	95.5	Very high	86.9	Confident	73 Å²	73	78.2 Å²	78.2	44%	0.442	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	126	-175.3	-173.2	0	0	0	0	110.2	T452 R454 Y496	T452-V472 HydrophobicContact CG2-CG1 3.49Å; T452-V472 VanDerWaalsContact CG2-CG1 3.49Å; R454-V472 HydrophobicContact CB-CG2 4.12Å; R454-V472 HydrophobicContact CG-CG2 4.28Å; V472-Y496 PolarHBondContact O-OH 3.4Å
473	M	93.6	Very high	87.3	Confident	9 Å²	9	74.2 Å²	74.2	4%	0.044	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	147.3	178.7	69.3	-177.1	70	0	0	111.1	V434 I453 L455 F494 Y496	V434-M473 HydrophobicContact CG1-SD 4.07Å; I453-M473 HydrophobicContact CB-CG 3.67Å; I453-M473 HydrophobicContact CB-SD 4.09Å; I453-M473 HydrophobicContact CG2-CG 4.25Å; I453-M473 HydrophobicContact CG2-SD 4.18Å; I453-M473 PolarHBondContact N-O 3.46Å; I453-M473 WeakPolarHBondContact O-CG 3.49Å; I453-M473 PolarHBondContact O-N 3.05Å; L455-M473 HydrophobicContact CD1-CE 3.55Å; L455-M473 HydrophobicContact CG-CE 4.13Å; M473-F494 HydrophobicContact CB-CE1 4.1Å; M473-F494 HydrophobicContact CG-CD1 4.46Å; M473-F494 HydrophobicContact CG-CE1 4.44Å; M473-F494 HydrophobicContact SD-CD1 3.54Å; M473-F494 VanDerWaalsContact SD-CD1 3.54Å; M473-F494 HydrophobicContact SD-CE1 4.02Å; M473-Y496 HydrophobicContact CE-CD2 3.97Å; M473-Y496 HydrophobicContact CE-CE2 3.4Å; M473-Y496 VanDerWaalsContact CE-CE2 3.4Å
474	E	93	Very high	88	Confident	75 Å²	75	78.7 Å²	78.7	35%	0.35	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	132.3	168.7	-77.2	-68.2	168.6	0	0	109.6	T452 K476 R525	T452-E474 WeakPolarHBondContact CB-OE1 3.08Å; T452-E474 WeakPolarHBondContact CG2-OE1 3.45Å; T452-E474 PolarHBondContact OG1-OE1 3.33Å; T452-E474 PolarHBondContact OG1-OE2 3.43Å; E474-K476 PolarHBondContact O-N 3.28Å; E474-R525 IonicContact OE1-CZ 2.73Å; E474-R525 IonicContact OE1-NH2 3.01Å; E474-R525 PolarHBondContact OE1-NH2 2.99Å; E474-R525 IonicContact OE2-CZ 2.99Å; E474-R525 VanDerWaalsContact OE2-CZ 3.24Å; E474-R525 IonicContact OE2-NE 2.69Å; E474-R525 PolarHBondContact OE2-NE 3.27Å; E474-R525 IonicContact OE2-NH2 3.53Å; E474-R525 PolarHBondContact OE2-NH2 3.46Å
475	A	90.6	Very high	88.8	Confident	10 Å²	10	72.8 Å²	72.8	8%	0.083	35%	0.345	C	S	.	.			trans	-72	129	175.7	0	0	0	0	0	111.2	F449 G451 F482	F449-A475 HydrophobicContact CD1-CB 3.42Å; F449-A475 VanDerWaalsContact CD1-CB 3.42Å; F449-A475 HydrophobicContact CE1-CB 3.54Å; G451-A475 VanDerWaalsContact O-CB 3.3Å; G451-A475 WeakPolarHBondContact O-CB 3.38Å; G451-A475 PolarHBondContact O-N 3.05Å; A475-F482 HydrophobicContact CB-CD1 3.91Å; A475-F482 HydrophobicContact CB-CD2 3.88Å; A475-F482 HydrophobicContact CB-CE1 3.84Å; A475-F482 HydrophobicContact CB-CE2 3.82Å; A475-F482 HydrophobicContact CB-CG 3.92Å; A475-F482 HydrophobicContact CB-CZ 3.78Å
476	K	84.6	Confident	89.1	Confident	103 Å²	103	71.4 Å²	71.4	45%	0.448	35%	0.348	S	S	.	.			trans	-108.5	118.5	-172.9	-73.9	-174.8	170.1	-157.3	0	110.6	E474 E478 L479	E474-K476 PolarHBondContact O-N 3.28Å; K476-E478 WeakPolarHBondContact CD-OE1 3.41Å; K476-E478 PolarHBondContact O-N 3.35Å; K476-E478 VanDerWaalsContact O-N 3.1Å; K476-L479 HydrophobicContact CB-CD1 3.86Å; K476-L479 HydrophobicContact CB-CG 3.86Å; K476-L479 HydrophobicContact CD-CD1 4.23Å; K476-L479 HydrophobicContact CG-CD1 4.49Å; K476-L479 PolarHBondContact O-N 3.38Å
477	P	78.2	Confident	89.3	Confident	53 Å²	53	68.9 Å²	68.9	34%	0.344	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-34.7	-178.8	-33.1	38.8	0	0	0	115.2	P448 Q450 L479 Q483	P448-P477 HydrophobicContact CG-CB 3.58Å; P448-P477 HydrophobicContact CG-CG 4.41Å; Q450-P477 HydrophobicContact CG-CG 4.18Å; P477-L479 VanDerWaalsContact C-N 3.28Å; P477-L479 PolarHBondContact O-N 2.98Å; P477-Q483 PolarHBondContact O-NE2 3.01Å
478	E	82.4	Confident	89.2	Confident	127 Å²	127	69 Å²	69	59%	0.593	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-15.1	-178.7	67.1	-86.4	-160.2	0	0	114.5	K476	K476-E478 WeakPolarHBondContact CD-OE1 3.41Å; K476-E478 PolarHBondContact O-N 3.35Å; K476-E478 VanDerWaalsContact O-N 3.1Å
479	L	82.8	Confident	89	Confident	52 Å²	52	70.9 Å²	70.9	27%	0.272	35%	0.347	S	S	.	.	S	Bend	trans	-88.3	128.3	-177.3	-62.2	-178.3	0	0	0	112.3	K476 P477 A481 F482 F494	K476-L479 HydrophobicContact CB-CD1 3.86Å; K476-L479 HydrophobicContact CB-CG 3.86Å; K476-L479 HydrophobicContact CD-CD1 4.23Å; K476-L479 HydrophobicContact CG-CD1 4.49Å; K476-L479 PolarHBondContact O-N 3.38Å; P477-L479 VanDerWaalsContact C-N 3.28Å; P477-L479 PolarHBondContact O-N 2.98Å; L479-A481 PolarHBondContact O-N 3.01Å; L479-F482 HydrophobicContact CB-CD2 4.07Å; L479-F482 HydrophobicContact CD1-CD2 4.47Å; L479-F482 HydrophobicContact CD1-CE2 4.26Å; L479-F482 PolarHBondContact O-N 3.06Å; L479-F494 HydrophobicContact CD1-CD2 3.73Å; L479-F494 HydrophobicContact CD1-CE1 4.41Å; L479-F494 HydrophobicContact CD1-CE2 3.47Å; L479-F494 VanDerWaalsContact CD1-CE2 3.47Å; L479-F494 HydrophobicContact CD1-CG 4.32Å; L479-F494 HydrophobicContact CD1-CZ 3.84Å
480	L	85	Confident	88.6	Confident	80 Å²	80	67.9 Å²	67.9	42%	0.419	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-57.6	-24.4	179.4	-63.5	179.5	0	0	0	114	F482 Q483 N490 K492	L480-F482 PolarHBondContact O-N 3.13Å; L480-Q483 HydrophobicContact CD2-CG 4.32Å; L480-Q483 PolarHBondContact O-N 3.2Å; L480-N490 PolarHBondContact O-ND2 3.06Å; L480-K492 HydrophobicContact CB-CB 4.42Å; L480-K492 HydrophobicContact CB-CG 4.02Å
481	A	88.8	Confident	87.6	Confident	8 Å²	8	66.7 Å²	66.7	7%	0.066	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-63.7	-23.8	175.4	0	0	0	0	0	113.9	T436 L479 N490 K492 F494	T436-A481 VanDerWaalsContact CG2-O 3.25Å; T436-A481 WeakPolarHBondContact CG2-O 3.26Å; T436-A481 PolarHBondContact OG1-O 3.28Å; L479-A481 PolarHBondContact O-N 3.01Å; A481-N490 PolarHBondContact O-ND2 3.03Å; A481-K492 VanDerWaalsContact CA-O 3.27Å; A481-K492 WeakPolarHBondContact CA-O 3.36Å; A481-K492 HydrophobicContact CB-CB 4.13Å; A481-K492 WeakPolarHBondContact CB-O 3.39Å; A481-F494 HydrophobicContact CB-CB 3.83Å
482	F	92.8	Very high	86.8	Confident	3 Å²	3	64.3 Å²	64.3	1%	0.013	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-107.8	1.9	-178.7	-60.5	-55.9	0	0	0	113.4	P448 F449 I453 A475 L479 L480 F494	P448-F482 CarbonylContact C-O 3.59Å; P448-F482 VanDerWaalsContact CA-O 3.31Å; P448-F482 WeakPolarHBondContact CA-O 3.32Å; P448-F482 VanDerWaalsContact CB-O 3.27Å; P448-F482 WeakPolarHBondContact CB-O 3.39Å; F449-F482 HydrophobicContact CB-CB 4.14Å; F449-F482 HydrophobicContact CB-CD1 4.35Å; F449-F482 AromaticContact CD1-CD1 3.62Å; F449-F482 HydrophobicContact CD1-CD1 3.62Å; F449-F482 HydrophobicContact CD1-CE1 4.07Å; F449-F482 HydrophobicContact CD1-CG 4.32Å; F449-F482 HydrophobicContact CE1-CD1 4.43Å; F449-F482 HydrophobicContact CE1-CE1 4.46Å; F449-F482 HydrophobicContact CG-CD1 4.33Å; F449-F482 PolarHBondContact N-O 2.92Å; I453-F482 HydrophobicContact CD1-CE1 3.94Å; I453-F482 HydrophobicContact CD1-CZ 4.43Å; A475-F482 HydrophobicContact CB-CD1 3.91Å; A475-F482 HydrophobicContact CB-CD2 3.88Å; A475-F482 HydrophobicContact CB-CE1 3.84Å; A475-F482 HydrophobicContact CB-CE2 3.82Å; A475-F482 HydrophobicContact CB-CG 3.92Å; A475-F482 HydrophobicContact CB-CZ 3.78Å; L479-F482 HydrophobicContact CB-CD2 4.07Å; L479-F482 HydrophobicContact CD1-CD2 4.47Å; L479-F482 HydrophobicContact CD1-CE2 4.26Å; L479-F482 PolarHBondContact O-N 3.06Å; L480-F482 PolarHBondContact O-N 3.13Å; F482-F494 HydrophobicContact CE2-CB 4.1Å; F482-F494 AromaticContact CE2-CD1 3.65Å; F482-F494 HydrophobicContact CE2-CD1 3.65Å; F482-F494 HydrophobicContact CE2-CE1 4.25Å; F482-F494 AromaticContact CE2-CG 3.94Å; F482-F494 HydrophobicContact CE2-CG 3.94Å; F482-F494 HydrophobicContact CZ-CB 3.87Å; F482-F494 AromaticContact CZ-CD1 3.57Å; F482-F494 HydrophobicContact CZ-CD1 3.57Å; F482-F494 HydrophobicContact CZ-CE1 4.43Å; F482-F494 HydrophobicContact CZ-CG 4Å
483	Q	90	Very high	86.3	Confident	74 Å²	74	61.4 Å²	61.4	35%	0.346	31%	0.307	S	S	.	.	S	Bend	trans	-71.8	156.7	171.2	-67.5	-65.2	-22.7	0	0	111.2	P477 L480 P485	P477-Q483 PolarHBondContact O-NE2 3.01Å; L480-Q483 HydrophobicContact CD2-CG 4.32Å; L480-Q483 PolarHBondContact O-N 3.2Å; Q483-P485 WeakPolarHBondContact O-CD 3.39Å
484	R	91	Very high	86.3	Confident	132 Å²	132	64.1 Å²	64.1	50%	0.498	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-59.2	122.5	-178.5	-175.1	175.7	178.8	-151.6	-1.6	110.7	D442 W447 T486	D442-R484 PolarHBondContact O-NE 2.87Å; W447-R484 HydrophobicContact CB-CB 4.1Å; W447-R484 HydrophobicContact CD2-CB 3.63Å; W447-R484 HydrophobicContact CD2-CG 3.95Å; W447-R484 VanDerWaalsContact CE3-CA 3.48Å; W447-R484 HydrophobicContact CE3-CB 4.02Å; W447-R484 HydrophobicContact CG-CB 3.67Å; W447-R484 HydrophobicContact CG-CG 4.02Å; W447-R484 HydrophobicContact CZ2-CG 4.28Å; R484-T486 PolarHBondContact O-N 3.38Å
485	P	86.9	Confident	86.3	Confident	8 Å²	8	61.6 Å²	61.6	5%	0.052	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-62.3	124.9	178	-26.9	37.6	0	0	0	112.4	Q438 W447 Q483 I487	Q438-P485 HydrophobicContact CB-CB 4.39Å; W447-P485 HydrophobicContact CH2-CG 4.22Å; Q483-P485 WeakPolarHBondContact O-CD 3.39Å; P485-I487 WeakPolarHBondContact CB-O 3.35Å
486	T	83.4	Confident	86.4	Confident	128 Å²	128	63.8 Å²	63.8	79%	0.785	32%	0.319	S	S	*	.	S	Bend	trans	-88.4	-14.8	168.6	50	0	0	0	0	112.4	R484	R484-T486 PolarHBondContact O-N 3.38Å
487	I	85.5	Confident	86.7	Confident	94 Å²	94	62 Å²	62	48%	0.482	32%	0.316	S	S	.	.	S	Bend	trans	-133.7	160.7	179.9	66	172.1	0	0	0	110.6	P485 R489	P485-I487 WeakPolarHBondContact CB-O 3.35Å; I487-R489 PolarHBondContact O-N 3.48Å
488	H	86.8	Confident	87.4	Confident	124 Å²	124	62.9 Å²	62.9	57%	0.574	32%	0.321	S	S	*	.	S	Bend	trans	-44.5	-39.9	-172.5	178.9	-114.8	0	0	0	115.7	M437 Q438	M437-H488 VanDerWaalsContact CA-O 3.3Å; M437-H488 WeakPolarHBondContact CA-O 3.17Å; M437-H488 WeakPolarHBondContact CB-O 3.2Å; M437-H488 WeakPolarHBondContact CE-CE1 3.46Å; M437-H488 WeakPolarHBondContact CE-NE2 3.2Å; M437-H488 WeakPolarHBondContact CE-O 3.24Å; Q438-H488 PolarHBondContact N-O 2.98Å
489	R	90.9	Very high	88	Confident	97 Å²	97	57 Å²	57	37%	0.366	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-138.9	126.8	171.8	-178	-175.3	67.8	-154.3	3.1	109.5	H399 C413 H435 M437 I487	H399-R489 PolarHBondContact CD2-NH1 3.15Å; H399-R489 VanDerWaalsContact CG-NH1 3.3Å; H399-R489 PolarHBondContact NE2-NH1 3.23Å; C413-R489 WeakPolarHBondContact SG-CD 3.36Å; H435-R489 HydrophobicContact CB-CG 3.99Å; M437-R489 HydrophobicContact CE-CB 4.5Å; M437-R489 HydrophobicContact CG-CB 4.18Å; M437-R489 HydrophobicContact CG-CG 4.12Å; I487-R489 PolarHBondContact O-N 3.48Å
490	N	85.7	Confident	88.7	Confident	16 Å²	16	54.7 Å²	54.7	9%	0.086	28%	0.281	C	S	.	.			trans	-61	125.6	173.9	-172.3	-21.9	0	0	0	109.9	H435 T436 L480 A481 K492	H435-N490 PolarHBondContact ND1-O 2.92Å; T436-N490 VanDerWaalsContact O-CB 3.31Å; T436-N490 WeakPolarHBondContact O-CB 3.33Å; T436-N490 PolarHBondContact O-N 3.13Å; T436-N490 VanDerWaalsContact OG1-CB 3.23Å; T436-N490 WeakPolarHBondContact OG1-CB 3.43Å; T436-N490 PolarHBondContact OG1-ND2 2.89Å; L480-N490 PolarHBondContact O-ND2 3.06Å; A481-N490 PolarHBondContact O-ND2 3.03Å; N490-K492 PolarHBondContact O-N 3.05Å; N490-K492 WeakPolarHBondContact OD1-CB 3.5Å; N490-K492 PolarHBondContact OD1-N 3.26Å
491	P	75.4	Confident	89.2	Confident	57 Å²	57	53.1 Å²	53.1	37%	0.37	27%	0.271	S	S	.	.	S	Bend	trans	-68.3	-24.3	-179.9	28.1	-34.4	0	0	0	111.8	H435 G493	H435-P491 PolarHBondContact CE1-O 3.47Å; P491-G493 PolarHBondContact O-N 2.99Å
492	K	79.4	Confident	89.4	Confident	28 Å²	28	53.4 Å²	53.4	12%	0.122	27%	0.272	C	S	.	.			trans	-80.6	101.8	175.1	-52.2	-47.1	-178.2	-163.1	0	109.3	C73 M75 L480 A481 N490	C73-K492 PolarHBondContact O-NZ 3.31Å; M75-K492 PolarHBondContact SD-NZ 3.28Å; L480-K492 HydrophobicContact CB-CB 4.42Å; L480-K492 HydrophobicContact CB-CG 4.02Å; A481-K492 VanDerWaalsContact CA-O 3.27Å; A481-K492 WeakPolarHBondContact CA-O 3.36Å; A481-K492 HydrophobicContact CB-CB 4.13Å; A481-K492 WeakPolarHBondContact CB-O 3.39Å; N490-K492 PolarHBondContact O-N 3.05Å; N490-K492 WeakPolarHBondContact OD1-CB 3.5Å; N490-K492 PolarHBondContact OD1-N 3.26Å
493	G	86.5	Confident	89.4	Confident	12 Å²	12	59.4 Å²	59.4	12%	0.124	30%	0.3	C	S	.	.			trans	-84.6	153.9	164.6	0	0	0	0	0	111	V434 H435 P491	V434-G493 CarbonylContact O-C 3.57Å; V434-G493 VanDerWaalsContact O-CA 3.25Å; V434-G493 WeakPolarHBondContact O-CA 3.46Å; H435-G493 WeakPolarHBondContact CE1-CA 3.25Å; H435-G493 PolarHBondContact CE1-N 3.16Å; H435-G493 VanDerWaalsContact CE1-N 3.27Å; H435-G493 PolarHBondContact ND1-N 2.93Å; P491-G493 PolarHBondContact O-N 2.99Å
494	F	92.4	Very high	89.5	Confident	66 Å²	66	57.1 Å²	57.1	29%	0.289	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	145.4	170.6	-170.2	-112.9	0	0	0	110.4	F433 V434 M473 L479 A481 F482	F433-F494 CarbonylContact C-O 3.49Å; F433-F494 VanDerWaalsContact CA-O 3.26Å; F433-F494 WeakPolarHBondContact CA-O 3.14Å; V434-F494 PolarHBondContact N-O 2.77Å; V434-F494 PolarHBondContact O-N 3.31Å; M473-F494 HydrophobicContact CB-CE1 4.1Å; M473-F494 HydrophobicContact CG-CD1 4.46Å; M473-F494 HydrophobicContact CG-CE1 4.44Å; M473-F494 HydrophobicContact SD-CD1 3.54Å; M473-F494 VanDerWaalsContact SD-CD1 3.54Å; M473-F494 HydrophobicContact SD-CE1 4.02Å; L479-F494 HydrophobicContact CD1-CD2 3.73Å; L479-F494 HydrophobicContact CD1-CE1 4.41Å; L479-F494 HydrophobicContact CD1-CE2 3.47Å; L479-F494 VanDerWaalsContact CD1-CE2 3.47Å; L479-F494 HydrophobicContact CD1-CG 4.32Å; L479-F494 HydrophobicContact CD1-CZ 3.84Å; A481-F494 HydrophobicContact CB-CB 3.83Å; F482-F494 HydrophobicContact CE2-CB 4.1Å; F482-F494 AromaticContact CE2-CD1 3.65Å; F482-F494 HydrophobicContact CE2-CD1 3.65Å; F482-F494 HydrophobicContact CE2-CE1 4.25Å; F482-F494 AromaticContact CE2-CG 3.94Å; F482-F494 HydrophobicContact CE2-CG 3.94Å; F482-F494 HydrophobicContact CZ-CB 3.87Å; F482-F494 AromaticContact CZ-CD1 3.57Å; F482-F494 HydrophobicContact CZ-CD1 3.57Å; F482-F494 HydrophobicContact CZ-CE1 4.43Å; F482-F494 HydrophobicContact CZ-CG 4Å
495	G	93.8	Very high	89.6	Confident	22 Å²	22	51.4 Å²	51.4	23%	0.227	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	146.9	-154.5	-174.9	0	0	0	0	0	112.9	L432	L432-G495 CarbonylContact O-C 3.56Å; L432-G495 WeakPolarHBondContact O-CA 3.13Å
496	Y	92.7	Very high	89.7	Confident	56 Å²	56	59.3 Å²	59.3	22%	0.22	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	122.2	-161.1	-56.2	-91.5	0	0	0	111.2	S431 L432 L455 E471 V472 M473 F499	S431-Y496 CarbonylContact C-O 3.51Å; S431-Y496 WeakPolarHBondContact CA-O 3.33Å; S431-Y496 WeakPolarHBondContact CB-O 3.3Å; L432-Y496 PolarHBondContact N-O 3.24Å; L432-Y496 PolarHBondContact O-N 3.08Å; L455-Y496 HydrophobicContact CD1-CD2 4.48Å; E471-Y496 HydrophobicContact CB-CD2 4.11Å; E471-Y496 HydrophobicContact CB-CE1 4.12Å; E471-Y496 HydrophobicContact CB-CE2 3.52Å; E471-Y496 HydrophobicContact CG-CD1 4.44Å; E471-Y496 HydrophobicContact CG-CE1 4.16Å; E471-Y496 HydrophobicContact CG-CE2 4.29Å; V472-Y496 PolarHBondContact O-OH 3.4Å; M473-Y496 HydrophobicContact CE-CD2 3.97Å; M473-Y496 HydrophobicContact CE-CE2 3.4Å; M473-Y496 VanDerWaalsContact CE-CE2 3.4Å; Y496-F499 AromaticContact CD2-CD2 3.92Å; Y496-F499 HydrophobicContact CD2-CD2 3.92Å; Y496-F499 HydrophobicContact CD2-CE2 4.49Å; Y496-F499 HydrophobicContact CG-CD2 4.26Å
497	V	89.5	Confident	90	Very high	65 Å²	65	60.1 Å²	60.1	39%	0.394	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	-37.2	173.2	-177.8	0	0	0	0	110.8	C426 S431 F433	C426-V497 HydrophobicContact CB-CG1 3.91Å; S431-V497 WeakPolarHBondContact CA-O 3.48Å; S431-V497 WeakPolarHBondContact CB-O 3.21Å; S431-V497 PolarHBondContact OG-O 2.86Å; F433-V497 HydrophobicContact CE1-CG2 4.37Å; F433-V497 HydrophobicContact CZ-CG2 4.22Å
498	T	93.5	Very high	90.2	Very high	71 Å²	71	59.6 Å²	59.6	44%	0.436	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	57.6	-178.7	54.4	0	0	0	0	110.6	C426 F429	C426-T498 HydrophobicContact CB-CG2 3.91Å; F429-T498 HydrophobicContact CB-CG2 4.48Å; F429-T498 VanDerWaalsContact CD1-CA 3.45Å; F429-T498 HydrophobicContact CD1-CG2 4.09Å; F429-T498 HydrophobicContact CD2-CG2 4.11Å; F429-T498 HydrophobicContact CE1-CG2 4.31Å; F429-T498 HydrophobicContact CE2-CG2 4.34Å; F429-T498 HydrophobicContact CG-CG2 3.97Å; F429-T498 HydrophobicContact CZ-CG2 4.43Å
499	F	96.3	Very high	90.5	Very high	5 Å²	5	56.6 Å²	56.6	2%	0.022	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	-60	-178	-175.5	-88.8	0	0	0	110.9	I430 L432 L455 I457 H469 E471 Y496	I430-F499 VanDerWaalsContact O-CB 3.3Å; I430-F499 WeakPolarHBondContact O-CB 3.44Å; I430-F499 PolarHBondContact O-N 2.64Å; L432-F499 HydrophobicContact CB-CB 4.37Å; L432-F499 HydrophobicContact CB-CD2 4.17Å; L432-F499 HydrophobicContact CB-CG 4.19Å; L432-F499 HydrophobicContact CD1-CD1 3.75Å; L432-F499 HydrophobicContact CD1-CD2 4.16Å; L432-F499 HydrophobicContact CD1-CE1 3.72Å; L432-F499 HydrophobicContact CD1-CE2 4.1Å; L432-F499 HydrophobicContact CD1-CG 3.99Å; L432-F499 HydrophobicContact CD1-CZ 3.9Å; L432-F499 HydrophobicContact CG-CD1 4.34Å; L432-F499 HydrophobicContact CG-CG 4.27Å; L455-F499 HydrophobicContact CB-CE2 3.75Å; L455-F499 HydrophobicContact CB-CZ 4.27Å; L455-F499 WeakPolarHBondContact O-CZ 3.19Å; I457-F499 HydrophobicContact CB-CE1 4.25Å; I457-F499 HydrophobicContact CD1-CD1 3.82Å; I457-F499 HydrophobicContact CD1-CE1 3.68Å; I457-F499 HydrophobicContact CG1-CD1 4.33Å; I457-F499 HydrophobicContact CG1-CE1 3.7Å; H469-F499 AromaticContact CD2-CE1 3.59Å; E471-F499 HydrophobicContact CB-CD2 4.28Å; E471-F499 HydrophobicContact CB-CE2 3.83Å; E471-F499 HydrophobicContact CG-CD2 4.26Å; E471-F499 HydrophobicContact CG-CE2 4.12Å; Y496-F499 AromaticContact CD2-CD2 3.92Å; Y496-F499 HydrophobicContact CD2-CD2 3.92Å; Y496-F499 HydrophobicContact CD2-CE2 4.49Å; Y496-F499 HydrophobicContact CG-CD2 4.26Å
500	M	95.9	Very high	90.7	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.01	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	132.2	177.8	-179.7	-169.3	-78	0	0	110.7	F429 I430 I457 H469 T504 L505 F510	F429-M500 CarbonylContact C-O 3.58Å; F429-M500 WeakPolarHBondContact CA-O 3.37Å; I430-M500 PolarHBondContact N-O 2.99Å; I430-M500 PolarHBondContact O-N 3.48Å; I457-M500 HydrophobicContact CB-CE 3.83Å; I457-M500 HydrophobicContact CD1-CB 4.07Å; I457-M500 HydrophobicContact CD1-CE 3.98Å; I457-M500 HydrophobicContact CD1-SD 3.95Å; I457-M500 HydrophobicContact CG2-CE 3.79Å; I457-M500 HydrophobicContact CG2-SD 4.4Å; H469-M500 HydrophobicContact CB-CE 3.27Å; M500-T504 HydrophobicContact CE-CG2 4.48Å; M500-T504 HydrophobicContact CG-CG2 4.1Å; M500-T504 HydrophobicContact SD-CG2 4.37Å; M500-L505 HydrophobicContact SD-CD2 3.43Å; M500-L505 WeakPolarHBondContact SD-CD2 3.4Å; M500-L505 HydrophobicContact SD-CG 3.85Å; M500-F510 HydrophobicContact CE-CD1 4.28Å; M500-F510 HydrophobicContact CE-CD2 4.29Å; M500-F510 HydrophobicContact CE-CE1 4.13Å; M500-F510 HydrophobicContact CE-CE2 4.11Å; M500-F510 HydrophobicContact CE-CG 4.36Å; M500-F510 HydrophobicContact CE-CZ 4.03Å
501	H	95.4	Very high	91.2	Very high	47 Å²	47	53.5 Å²	53.5	22%	0.218	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	137.6	171.8	-172.4	-127.2	0	0	0	111	N428 F429 Q503 T504	N428-H501 PolarHBondContact O-CD2 2.81Å; F429-H501 HydrophobicContact CD1-CB 4.1Å; F429-H501 AromaticContact CD2-CD2 3.93Å; F429-H501 HydrophobicContact CE1-CB 3.81Å; F429-H501 HydrophobicContact CE2-CB 4.35Å; F429-H501 AromaticContact CE2-CD2 3.83Å; F429-H501 HydrophobicContact CZ-CB 3.95Å; H501-Q503 VanDerWaalsContact CE1-CD 3.46Å; H501-Q503 PolarHBondContact CE1-OE1 2.87Å; H501-Q503 PolarHBondContact O-N 3.13Å; H501-Q503 VanDerWaalsContact O-N 3.07Å; H501-T504 WeakPolarHBondContact O-CA 3.41Å; H501-T504 WeakPolarHBondContact O-CB 3.16Å; H501-T504 PolarHBondContact O-N 3.08Å; H501-T504 PolarHBondContact O-OG1 2.96Å
502	L	93.8	Very high	92.1	Very high	14 Å²	14	53.9 Å²	53.9	7%	0.073	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-26.4	-176.1	-77.8	174.9	0	0	0	113.9	F383 I418 N428 I430 T504 L505	F383-L502 HydrophobicContact CZ-CD2 4.5Å; I418-L502 HydrophobicContact CG2-CD1 3.68Å; I418-L502 HydrophobicContact CG2-CD2 3.84Å; I418-L502 HydrophobicContact CG2-CG 4.03Å; N428-L502 HydrophobicContact CB-CB 4.48Å; N428-L502 HydrophobicContact CB-CD1 4.19Å; N428-L502 WeakPolarHBondContact O-CB 3.24Å; N428-L502 VanDerWaalsContact O-CG 3.29Å; N428-L502 WeakPolarHBondContact O-CG 3.35Å; N428-L502 PolarHBondContact O-N 3.01Å; I430-L502 HydrophobicContact CD1-CD2 4.25Å; I430-L502 HydrophobicContact CG1-CD2 3.99Å; L502-T504 VanDerWaalsContact C-N 3.32Å; L502-L505 HydrophobicContact CD2-CD1 3.73Å; L502-L505 WeakPolarHBondContact O-CB 3.48Å; L502-L505 PolarHBondContact O-N 3.12Å
503	Q	91.9	Very high	92.8	Very high	129 Å²	129	59 Å²	59	60%	0.603	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-25.9	174.8	-62.2	178.9	-6.1	0	0	112.6	H501 L505 K506	H501-Q503 VanDerWaalsContact CE1-CD 3.46Å; H501-Q503 PolarHBondContact CE1-OE1 2.87Å; H501-Q503 PolarHBondContact O-N 3.13Å; H501-Q503 VanDerWaalsContact O-N 3.07Å; Q503-L505 PolarHBondContact O-N 2.92Å; Q503-K506 WeakPolarHBondContact O-CB 3.47Å; Q503-K506 PolarHBondContact O-N 3.17Å; Q503-K506 VanDerWaalsContact O-N 3.09Å
504	T	93.4	Very high	93.2	Very high	26 Å²	26	61.2 Å²	61.2	16%	0.16	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-64.4	-30.1	175.8	-53.3	0	0	0	0	111.6	M500 H501 L502 K506 Q507 F510	M500-T504 HydrophobicContact CE-CG2 4.48Å; M500-T504 HydrophobicContact CG-CG2 4.1Å; M500-T504 HydrophobicContact SD-CG2 4.37Å; H501-T504 WeakPolarHBondContact O-CA 3.41Å; H501-T504 WeakPolarHBondContact O-CB 3.16Å; H501-T504 PolarHBondContact O-N 3.08Å; H501-T504 PolarHBondContact O-OG1 2.96Å; L502-T504 VanDerWaalsContact C-N 3.32Å; T504-K506 PolarHBondContact O-N 3.02Å; T504-K506 VanDerWaalsContact O-N 3.08Å; T504-Q507 WeakPolarHBondContact O-CB 3.48Å; T504-Q507 PolarHBondContact O-N 2.81Å; T504-F510 HydrophobicContact CG2-CE2 4.44Å
505	L	92.4	Very high	93.5	Very high	13 Å²	13	58.6 Å²	58.6	7%	0.068	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-57.1	-23.2	172.6	-65	171.4	0	0	0	113.5	F383 I430 M500 L502 Q503 R508 F510 V511 L516	F383-L505 HydrophobicContact CE1-CD1 3.64Å; F383-L505 HydrophobicContact CZ-CD1 3.79Å; I430-L505 HydrophobicContact CD1-CD1 4.11Å; I430-L505 HydrophobicContact CD1-CD2 4.44Å; M500-L505 HydrophobicContact SD-CD2 3.43Å; M500-L505 WeakPolarHBondContact SD-CD2 3.4Å; M500-L505 HydrophobicContact SD-CG 3.85Å; L502-L505 HydrophobicContact CD2-CD1 3.73Å; L502-L505 WeakPolarHBondContact O-CB 3.48Å; L502-L505 PolarHBondContact O-N 3.12Å; Q503-L505 PolarHBondContact O-N 2.92Å; L505-R508 VanDerWaalsContact O-O 3.06Å; L505-F510 HydrophobicContact CD2-CB 3.76Å; L505-F510 HydrophobicContact CD2-CG 4.42Å; L505-V511 HydrophobicContact CD2-CG2 4.39Å; L505-L516 HydrophobicContact CD2-CD1 3.89Å
506	K	89.1	Confident	93.6	Very high	174 Å²	174	57.6 Å²	57.6	76%	0.757	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-87.7	-3.7	180	-56.5	-175.6	179.5	-178.3	0	113.3	Q503 T504	Q503-K506 WeakPolarHBondContact O-CB 3.47Å; Q503-K506 PolarHBondContact O-N 3.17Å; Q503-K506 VanDerWaalsContact O-N 3.09Å; T504-K506 PolarHBondContact O-N 3.02Å; T504-K506 VanDerWaalsContact O-N 3.08Å
507	Q	88.9	Confident	93.9	Very high	145 Å²	145	56.7 Å²	56.7	68%	0.678	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-24.8	-176.6	-61.2	177.1	0.3	0	0	113.5	T504	T504-Q507 WeakPolarHBondContact O-CB 3.48Å; T504-Q507 PolarHBondContact O-N 2.81Å
508	R	90	Very high	94.3	Very high	83 Å²	83	53.6 Å²	53.6	31%	0.313	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.1	173.1	179.2	-74	178.4	162.6	-89.1	2.3	109.5	D459 E465 L505 F510	D459-R508 WeakPolarHBondContact OD2-CD 3.47Å; D459-R508 IonicContact OD2-CZ 3.64Å; D459-R508 IonicContact OD2-NE 2.81Å; D459-R508 IonicContact OD2-NH1 3.02Å; D459-R508 PolarHBondContact OD2-NH1 3.38Å; E465-R508 PolarHBondContact O-NH1 2.87Å; L505-R508 VanDerWaalsContact O-O 3.06Å; R508-F510 HydrophobicContact CB-CD2 3.91Å; R508-F510 HydrophobicContact CB-CE2 3.7Å; R508-F510 HydrophobicContact CB-CZ 4.13Å; R508-F510 HydrophobicContact CG-CE2 4.39Å; R508-F510 PolarHBondContact O-N 3.01Å
509	T	93.8	Very high	94.5	Very high	60 Å²	60	52.4 Å²	52.4	37%	0.368	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	54.8	178.9	-43.2	0	0	0	0	112	Q460 V511 K512	Q460-T509 WeakPolarHBondContact CA-O 3.33Å; Q460-T509 HydrophobicContact CB-CG2 4.47Å; Q460-T509 VanDerWaalsContact CB-O 3.29Å; Q460-T509 WeakPolarHBondContact CB-O 3.39Å; Q460-T509 PolarHBondContact N-O 3.01Å; T509-V511 VanDerWaalsContact C-N 3.34Å; T509-K512 HydrophobicContact CG2-CB 4.23Å; T509-K512 HydrophobicContact CG2-CG 4.45Å
510	F	95.1	Very high	94.5	Very high	5 Å²	5	52.1 Å²	52.1	2%	0.022	25%	0.252	C	S	.	.	S	Bend	trans	-71.1	-30.7	176.8	-69.3	-62.7	0	0	0	112.4	I457 D459 Q460 H469 M500 T504 L505 R508	I457-F510 HydrophobicContact CG2-CB 4.21Å; I457-F510 HydrophobicContact CG2-CD1 3.77Å; I457-F510 HydrophobicContact CG2-CE1 4.47Å; I457-F510 HydrophobicContact CG2-CG 4.23Å; D459-F510 HydrophobicContact CB-CD1 4.42Å; D459-F510 HydrophobicContact CB-CE1 4.21Å; Q460-F510 PolarHBondContact NE2-O 3.41Å; H469-F510 HydrophobicContact CB-CE1 4.25Å; H469-F510 HydrophobicContact CB-CZ 4.2Å; M500-F510 HydrophobicContact CE-CD1 4.28Å; M500-F510 HydrophobicContact CE-CD2 4.29Å; M500-F510 HydrophobicContact CE-CE1 4.13Å; M500-F510 HydrophobicContact CE-CE2 4.11Å; M500-F510 HydrophobicContact CE-CG 4.36Å; M500-F510 HydrophobicContact CE-CZ 4.03Å; T504-F510 HydrophobicContact CG2-CE2 4.44Å; L505-F510 HydrophobicContact CD2-CB 3.76Å; L505-F510 HydrophobicContact CD2-CG 4.42Å; R508-F510 HydrophobicContact CB-CD2 3.91Å; R508-F510 HydrophobicContact CB-CE2 3.7Å; R508-F510 HydrophobicContact CB-CZ 4.13Å; R508-F510 HydrophobicContact CG-CE2 4.39Å; R508-F510 PolarHBondContact O-N 3.01Å
511	V	95.3	Very high	94.6	Very high	44 Å²	44	53.2 Å²	53.2	27%	0.267	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	132.2	171	-176.8	0	0	0	0	108.7	F383 L505 T509 T515 L516	F383-V511 HydrophobicContact CD1-CG1 4.29Å; F383-V511 HydrophobicContact CD1-CG2 3.69Å; F383-V511 HydrophobicContact CE1-CG2 3.92Å; F383-V511 HydrophobicContact CG-CG2 4.44Å; L505-V511 HydrophobicContact CD2-CG2 4.39Å; T509-V511 VanDerWaalsContact C-N 3.34Å; V511-T515 WeakPolarHBondContact CA-O 3.29Å; V511-L516 HydrophobicContact CG2-CD1 4Å
512	K	94.8	Very high	94.6	Very high	65 Å²	65	51.3 Å²	51.3	28%	0.283	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	142.8	175.5	-167.6	-168.8	177.2	-178.5	0	108.1	Q460 E462 T509 D514 T515	Q460-K512 HydrophobicContact CB-CB 4.06Å; Q460-K512 HydrophobicContact CB-CD 4.39Å; E462-K512 IonicContact OE1-NZ 2.71Å; E462-K512 PolarHBondContact OE1-NZ 3.37Å; T509-K512 HydrophobicContact CG2-CB 4.23Å; T509-K512 HydrophobicContact CG2-CG 4.45Å; K512-D514 PolarHBondContact O-N 3.45Å; K512-T515 PolarHBondContact N-O 2.88Å; K512-T515 VanDerWaalsContact N-O 3.13Å; K512-T515 WeakPolarHBondContact O-CA 3.19Å; K512-T515 VanDerWaalsContact O-CB 3.24Å; K512-T515 WeakPolarHBondContact O-CB 3.45Å; K512-T515 PolarHBondContact O-N 2.74Å
513	D	94.4	Very high	94.5	Very high	135 Å²	135	55.2 Å²	55.2	72%	0.722	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	47.4	176.5	-50.8	-37.9	0	0	0	112.7	T515	D513-T515 PolarHBondContact O-N 2.93Å; D513-T515 PolarHBondContact O-OG1 2.66Å
514	D	95.8	Very high	94.3	Very high	58 Å²	58	51.2 Å²	51.2	31%	0.31	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.5	30.4	-170.8	-155	18.3	0	0	0	116.2	E381 N382 F383 S384 K512	E381-D514 CarbonylContact C-O 3.6Å; N382-D514 WeakPolarHBondContact CA-OD2 3.39Å; N382-D514 PolarHBondContact N-O 3.33Å; F383-D514 PolarHBondContact N-O 3.3Å; F383-D514 PolarHBondContact N-OD1 3.01Å; S384-D514 VanDerWaalsContact CB-OD1 3.24Å; S384-D514 WeakPolarHBondContact CB-OD1 3.49Å; S384-D514 WeakPolarHBondContact CB-OD2 3.38Å; S384-D514 PolarHBondContact N-OD1 3.29Å; S384-D514 PolarHBondContact OG-OD1 3.46Å; S384-D514 PolarHBondContact OG-OD2 2.98Å; K512-D514 PolarHBondContact O-N 3.45Å
515	T	96.7	Very high	93.7	Very high	12 Å²	12	57.2 Å²	57.2	7%	0.074	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	130.6	-174.7	-60.6	0	0	0	0	111.1	K379 I380 Q460 V511 K512 D513 L517	K379-T515 HydrophobicContact CD-CG2 4.15Å; K379-T515 HydrophobicContact CG-CG2 3.45Å; K379-T515 VanDerWaalsContact CG-CG2 3.45Å; I380-T515 CarbonylContact O-C 3.35Å; I380-T515 VanDerWaalsContact O-CA 3.23Å; I380-T515 WeakPolarHBondContact O-CA 3.48Å; Q460-T515 PolarHBondContact NE2-O 2.85Å; V511-T515 WeakPolarHBondContact CA-O 3.29Å; K512-T515 PolarHBondContact N-O 2.88Å; K512-T515 VanDerWaalsContact N-O 3.13Å; K512-T515 WeakPolarHBondContact O-CA 3.19Å; K512-T515 VanDerWaalsContact O-CB 3.24Å; K512-T515 WeakPolarHBondContact O-CB 3.45Å; K512-T515 PolarHBondContact O-N 2.74Å; D513-T515 PolarHBondContact O-N 2.93Å; D513-T515 PolarHBondContact O-OG1 2.66Å; T515-L517 HydrophobicContact CG2-CD2 3.81Å; T515-L517 HydrophobicContact CG2-CG 4.41Å
516	L	97.4	Very high	92.4	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	139.3	164.2	-175.9	74.3	0	0	0	109.2	I380 F383 L416 I430 I457 L505 V511 V518	I380-L516 HydrophobicContact CB-CB 4.29Å; I380-L516 PolarHBondContact N-O 3.4Å; I380-L516 PolarHBondContact O-N 2.69Å; F383-L516 HydrophobicContact CD2-CB 3.75Å; F383-L516 HydrophobicContact CD2-CD2 4.01Å; F383-L516 HydrophobicContact CD2-CG 4.47Å; F383-L516 HydrophobicContact CE2-CB 4.16Å; F383-L516 HydrophobicContact CE2-CD2 3.56Å; F383-L516 HydrophobicContact CE2-CG 4.4Å; F383-L516 HydrophobicContact CG-CB 4.05Å; F383-L516 HydrophobicContact CZ-CD2 4.08Å; L416-L516 HydrophobicContact CD1-CD2 4.37Å; I430-L516 HydrophobicContact CD1-CD2 4.26Å; I457-L516 HydrophobicContact CG2-CD1 3.75Å; L505-L516 HydrophobicContact CD2-CD1 3.89Å; V511-L516 HydrophobicContact CG2-CD1 4Å; L516-V518 HydrophobicContact CD2-CG2 4.19Å; L516-V518 HydrophobicContact CG-CG2 4.47Å
517	L	97.7	Very high	90.3	Very high	37 Å²	37	57.6 Å²	57.6	19%	0.194	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	118.6	175.4	-61.5	-176.9	0	0	0	111	I377 K379 L458 Q460 T515	I377-L517 HydrophobicContact CG2-CD2 4.47Å; K379-L517 HydrophobicContact CB-CD2 4.13Å; K379-L517 HydrophobicContact CG-CD2 3.9Å; L458-L517 HydrophobicContact CB-CB 4.11Å; L458-L517 HydrophobicContact CD1-CB 4.09Å; L458-L517 HydrophobicContact CD1-CD1 4.46Å; L458-L517 HydrophobicContact CG-CB 4.29Å; L458-L517 PolarHBondContact N-O 3.41Å; Q460-L517 HydrophobicContact CG-CD1 4.08Å; Q460-L517 HydrophobicContact CG-CG 4.41Å; T515-L517 HydrophobicContact CG2-CD2 3.81Å; T515-L517 HydrophobicContact CG2-CG 4.41Å
518	V	98.1	Very high	88.1	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	119.6	175.3	-176.4	0	0	0	0	109.3	W378 I380 L414 L432 S456 I457 L516	W378-V518 HydrophobicContact CB-CB 4.37Å; W378-V518 PolarHBondContact N-O 3.22Å; W378-V518 PolarHBondContact O-N 3.38Å; I380-V518 HydrophobicContact CD1-CG2 4.03Å; L414-V518 HydrophobicContact CD1-CG1 3.88Å; L432-V518 HydrophobicContact CD1-CG1 3.67Å; L432-V518 HydrophobicContact CD2-CG1 4.03Å; S456-V518 CarbonylContact O-C 3.55Å; S456-V518 WeakPolarHBondContact O-CA 3.42Å; I457-V518 HydrophobicContact CG1-CG2 4.3Å; L516-V518 HydrophobicContact CD2-CG2 4.19Å; L516-V518 HydrophobicContact CG-CG2 4.47Å
519	R	97.4	Very high	85.7	Confident	46 Å²	46	59.1 Å²	59.1	17%	0.174	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	139.4	176.4	-176.8	173.9	-179.8	-92.5	-4.3	110.6	Y376 I377 S456 L458 E521	Y376-R519 CarbonylContact O-C 3.55Å; Y376-R519 WeakPolarHBondContact O-CA 3.45Å; I377-R519 HydrophobicContact CG1-CB 4.43Å; I377-R519 HydrophobicContact CG1-CG 4.21Å; S456-R519 PolarHBondContact N-O 2.9Å; S456-R519 PolarHBondContact O-N 2.75Å; L458-R519 HydrophobicContact CD1-CB 4.18Å; L458-R519 HydrophobicContact CD2-CB 3.79Å; L458-R519 HydrophobicContact CG-CB 4.07Å; R519-E521 IonicContact CZ-OE2 2.64Å; R519-E521 IonicContact NH1-OE2 3.7Å; R519-E521 PolarHBondContact NH1-OE2 3.34Å; R519-E521 IonicContact NH2-OE2 3.63Å; R519-E521 PolarHBondContact NH2-OE2 3.48Å
520	C	97.6	Very high	83	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	128.3	166.4	-173.9	0	0	0	0	108.7	Y376 F403 L414 R454 L455	Y376-C520 PolarHBondContact N-O 2.78Å; Y376-C520 PolarHBondContact O-N 2.87Å; F403-C520 HydrophobicContact CZ-CB 4.04Å; L414-C520 HydrophobicContact CD1-CB 4.1Å; L414-C520 HydrophobicContact CD2-CB 3.98Å; L414-C520 HydrophobicContact CG-CB 4.4Å; R454-C520 WeakPolarHBondContact O-CA 3.26Å; L455-C520 HydrophobicContact CD2-CB 3.92Å
521	E	96.8	Very high	80.3	Confident	25 Å²	25	67.6 Å²	67.6	12%	0.117	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	127.1	174.3	177.7	-172.3	126.1	0	0	108.6	G374 I375 I453 R454 R519	G374-E521 CarbonylContact O-C 3.59Å; G374-E521 VanDerWaalsContact O-CA 3.32Å; G374-E521 WeakPolarHBondContact O-CA 3.49Å; I375-E521 HydrophobicContact CG1-CG 4.3Å; I453-E521 CarbonylContact C-O 3.3Å; I453-E521 WeakPolarHBondContact CA-O 3.43Å; R454-E521 HydrophobicContact CB-CB 4.26Å; R454-E521 IonicContact CZ-OE1 2.8Å; R454-E521 IonicContact CZ-OE2 3.97Å; R454-E521 PolarHBondContact N-O 2.99Å; R454-E521 IonicContact NE-OE1 2.64Å; R454-E521 PolarHBondContact NE-OE1 3.32Å; R454-E521 IonicContact NE-OE2 2.87Å; R454-E521 IonicContact NH2-OE1 2.69Å; R454-E521 PolarHBondContact NH2-OE1 2.98Å; R454-E521 IonicContact NH2-OE2 2.8Å; R454-E521 PolarHBondContact O-N 2.55Å; R519-E521 IonicContact CZ-OE2 2.64Å; R519-E521 IonicContact NH1-OE2 3.7Å; R519-E521 PolarHBondContact NH1-OE2 3.34Å; R519-E521 IonicContact NH2-OE2 3.63Å; R519-E521 PolarHBondContact NH2-OE2 3.48Å
522	V	95.4	Very high	77.5	Confident	7 Å²	7	76.3 Å²	76.3	4%	0.042	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	110.8	-172.3	-177.6	0	0	0	0	110.1	G374 F403 T405 L412 F449 I453 T524	G374-V522 PolarHBondContact O-N 3.26Å; F403-V522 HydrophobicContact CE2-CG2 4.36Å; T405-V522 HydrophobicContact CG2-CB 3.91Å; T405-V522 HydrophobicContact CG2-CG1 3.53Å; L412-V522 HydrophobicContact CD1-CB 4.44Å; L412-V522 HydrophobicContact CD1-CG1 4.11Å; L412-V522 HydrophobicContact CD1-CG2 3.8Å; F449-V522 HydrophobicContact CE2-CG1 4.17Å; F449-V522 HydrophobicContact CZ-CG1 3.62Å; I453-V522 HydrophobicContact CG1-CG1 4.1Å; I453-V522 HydrophobicContact CG1-CG2 4.19Å; I453-V522 HydrophobicContact CG2-CG2 4.27Å; V522-T524 HydrophobicContact CG1-CG2 4.46Å
523	L	92.6	Very high	74.8	Confident	95 Å²	95	84 Å²	84	50%	0.497	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	100.8	178.8	-59.3	178	0	0	0	108.8	G451 T452	G451-L523 CarbonylContact C-O 3.53Å; G451-L523 WeakPolarHBondContact CA-O 3.48Å; T452-L523 PolarHBondContact N-O 3.24Å; T452-L523 PolarHBondContact O-N 3.06Å
524	T	88.4	Confident	72.1	Confident	46 Å²	46	86.4 Å²	86.4	28%	0.282	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	136.5	-179.2	62.6	0	0	0	0	111.2	T405 Y410 F449 V522 L526	T405-T524 HydrophobicContact CG2-CG2 4.28Å; Y410-T524 HydrophobicContact CD2-CG2 3.93Å; Y410-T524 HydrophobicContact CE2-CG2 4.01Å; F449-T524 HydrophobicContact CE2-CG2 4.05Å; V522-T524 HydrophobicContact CG1-CG2 4.46Å; T524-L526 PolarHBondContact O-N 2.91Å; T524-L526 VanDerWaalsContact O-N 3.14Å
525	R	79.3	Confident	69.1	Low	152 Å²	152	86.6 Å²	86.6	57%	0.574	43%	0.429	S	S	*	.			trans	-88.5	56.8	173.2	-70.2	173.8	-177	-147.2	-0.3	110.2	Q450 E474	Q450-R525 HydrophobicContact CB-CB 4.31Å; Q450-R525 PolarHBondContact O-N 3.03Å; E474-R525 IonicContact OE1-CZ 2.73Å; E474-R525 IonicContact OE1-NH2 3.01Å; E474-R525 PolarHBondContact OE1-NH2 2.99Å; E474-R525 IonicContact OE2-CZ 2.99Å; E474-R525 VanDerWaalsContact OE2-CZ 3.24Å; E474-R525 IonicContact OE2-NE 2.69Å; E474-R525 PolarHBondContact OE2-NE 3.27Å; E474-R525 IonicContact OE2-NH2 3.53Å; E474-R525 PolarHBondContact OE2-NH2 3.46Å
526	L	65.1	Low	66.1	Low	77 Å²	77	96 Å²	96	40%	0.403	47%	0.469	S	S	.	.			trans	-70.9	135.1	168.2	-66.1	172.7	0	0	0	109	P446 T524 L528	P446-L526 HydrophobicContact CG-CD2 3.89Å; T524-L526 PolarHBondContact O-N 2.91Å; T524-L526 VanDerWaalsContact O-N 3.14Å; L526-L528 PolarHBondContact O-N 2.88Å
527	D	45.2	Very low	63	Low	118 Å²	118	105.2 Å²	105.2	63%	0.631	51%	0.512	S	S	*	.			trans	-58.7	109.1	-177.4	-106.9	-58.2	0	0	0	112.2	N529 S530	D527-N529 PolarHBondContact O-N 3.09Å; D527-N529 PolarHBondContact OD1-ND2 3.39Å; D527-S530 PolarHBondContact O-N 2.89Å; D527-S530 PolarHBondContact O-OG 2.96Å
528	L	43.5	Very low	59.9	Low	140 Å²	140	107.9 Å²	107.9	73%	0.733	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-7.3	175.1	-89.4	85.7	0	0	0	113.5	L526 S530	L526-L528 PolarHBondContact O-N 2.88Å; L528-S530 PolarHBondContact O-N 3.24Å
529	N	38.8	Very low	56.9	Low	120 Å²	120	119 Å²	119	64%	0.642	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-21	176.1	-67.1	-52.2	0	0	0	113.6	D527	D527-N529 PolarHBondContact O-N 3.09Å; D527-N529 PolarHBondContact OD1-ND2 3.39Å
530	S	38	Very low	54	Low	88 Å²	88	122.4 Å²	122.4	62%	0.615	61%	0.612	S	S	*	*	S	Bend	trans	-70.5	-49.6	175.7	53.1	0	0	0	0	112.5	D527 L528 R532 R533	D527-S530 PolarHBondContact O-N 2.89Å; D527-S530 PolarHBondContact O-OG 2.96Å; L528-S530 PolarHBondContact O-N 3.24Å; S530-R532 PolarHBondContact O-N 3.4Å; S530-R532 VanDerWaalsContact O-N 3.15Å; S530-R533 PolarHBondContact O-N 3.2Å
531	L	39.2	Very low	51.4	Low	155 Å²	155	128.1 Å²	128.1	81%	0.812	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.7	-4.2	-176.6	-76	166.6	0	0	0	115.1
532	R	36.5	Very low	48.6	Very low	227 Å²	227	135 Å²	135	86%	0.857	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.8	-1	177.5	-92	-172.9	170.2	-172.7	-2.1	115.2	S530	S530-R532 PolarHBondContact O-N 3.4Å; S530-R532 VanDerWaalsContact O-N 3.15Å
533	R	37.9	Very low	45.8	Very low	226 Å²	226	137.5 Å²	137.5	85%	0.853	71%	0.712	S	S	*	*	S	Bend	trans	-91	-18.5	-177.3	-162.1	167	-70.6	-162.8	0	114.6	S530 G535	S530-R533 PolarHBondContact O-N 3.2Å; R533-G535 VanDerWaalsContact C-N 3.33Å; R533-G535 PolarHBondContact O-N 2.92Å
534	E	36.4	Very low	43.3	Very low	185 Å²	185	139.5 Å²	139.5	86%	0.864	73%	0.729	S	S	*	*			trans	-95.7	56.5	173	-63	-164.9	145.2	0	0	111.8	F536	E534-F536 PolarHBondContact O-N 2.85Å
535	G	32.5	Very low	41	Very low	62 Å²	62	147.9 Å²	147.9	64%	0.639	78%	0.779	S	S	*	*			trans	-67.9	117.1	169.3	0	0	0	0	0	110.5	R533 Q537	R533-G535 VanDerWaalsContact C-N 3.33Å; R533-G535 PolarHBondContact O-N 2.92Å; G535-Q537 PolarHBondContact O-N 2.74Å; G535-Q537 VanDerWaalsContact O-N 3.13Å
536	F	34.1	Very low	39.1	Very low	210 Å²	210	147.7 Å²	147.7	92%	0.921	79%	0.79	S	S	*	*			trans	-36.6	112.6	178.1	-95.4	-121.2	0	0	0	113.3	E534 A538	E534-F536 PolarHBondContact O-N 2.85Å; F536-A538 PolarHBondContact O-N 2.85Å
537	Q	33	Very low	37.8	Very low	194 Å²	194	151.4 Å²	151.4	91%	0.907	81%	0.81	S	S	*	*			trans	-73.9	105.4	156	-79	-169	-10.5	0	0	108.3	G535 R539	G535-Q537 PolarHBondContact O-N 2.74Å; G535-Q537 VanDerWaalsContact O-N 3.13Å; Q537-R539 PolarHBondContact O-N 3.05Å; Q537-R539 VanDerWaalsContact O-N 3.13Å
538	A	33	Very low	37.4	Very low	93 Å²	93	153.2 Å²	153.2	77%	0.769	82%	0.82	S	S	*	*			trans	-62.1	114	169.6	0	0	0	0	0	109.2	F536 S540	F536-A538 PolarHBondContact O-N 2.85Å; A538-S540 PolarHBondContact O-N 3.16Å; A538-S540 VanDerWaalsContact O-N 3.11Å
539	R	34.2	Very low	37	Very low	232 Å²	232	154 Å²	154	88%	0.875	83%	0.825	S	S	*	*			trans	-65.2	111	166.7	-86.2	-174.5	170.1	-179.8	-2.7	108	Q537 T541	Q537-R539 PolarHBondContact O-N 3.05Å; Q537-R539 VanDerWaalsContact O-N 3.13Å; R539-T541 PolarHBondContact O-N 3.22Å
540	S	35.9	Very low	36.9	Very low	118 Å²	118	156.1 Å²	156.1	83%	0.825	84%	0.836	S	S	*	*			trans	-66.1	113.5	164.1	-175	0	0	0	0	108.5	A538	A538-S540 PolarHBondContact O-N 3.16Å; A538-S540 VanDerWaalsContact O-N 3.11Å
541	T	43.6	Very low	36.8	Very low	120 Å²	120	160.7 Å²	160.7	74%	0.736	85%	0.851	S	S	*	*			trans	-134.1	86.6	166.9	54	0	0	0	0	108.2	R539	R539-T541 PolarHBondContact O-N 3.22Å
542	D	38.6	Very low	36.6	Very low	169 Å²	169	161.1 Å²	161.1	90%	0.904	85%	0.854	S	S	*	*			trans	-138	131.1	154.1	-106.8	-35.8	0	0	0	108.6
543	G	36.8	Very low	36.6	Very low	60 Å²	60	156 Å²	156	62%	0.619	85%	0.854	S	S	*	*			trans	-152	121.3	-179.3	0	0	0	0	0	109.7
544	T	40.3	Very low	36.5	Very low	138 Å²	138	150.2 Å²	150.2	85%	0.847	85%	0.854	S	S	*	*			trans	49.2	96.6	161.3	54.2	0	0	0	0	117.4
545	V	40.2	Very low	36.5	Very low	221 Å²	221	147 Å²	147	100%	1.339	85%	0.853	S	S	*	*				-124.7	0	110.4	-178.2	0	0	0	0	107.8

Retrieved 545 of 545 residues in 182.1 ms (Link to these results)

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