X2JEZ9_DROME Loading...

Netrin-A, isoform C

AlphaFold DB (Q24567), UniProt , Accession X2JEZ9, Species DROME (Drosophila melanogaster, Fruit fly), Gene NetA, Length 726 aa.

Structure Viewer

Loading PAE data...

(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	39.4	Very low	43.5	Very low	231 Å²	231	149.3 Å²	149.3	100%	1.138	81%	0.807	S	S	*	*				0	152.4	0	-66.7	169	-179.3	0	0	108.3
2	I	38.8	Very low	43.3	Very low	146 Å²	146	148.8 Å²	148.8	75%	0.749	81%	0.813	S	S	*	*			trans	39.5	103.4	142.1	-60.1	174.1	0	0	0	116.4
3	R	38.3	Very low	43.6	Very low	231 Å²	231	146.1 Å²	146.1	87%	0.872	80%	0.804	S	S	*	*				62.4	144.6	103.5	-63.8	172.5	167.5	179	-5.4	114.7
4	G	43.1	Very low	43.7	Very low	70 Å²	70	153.8 Å²	153.8	72%	0.722	82%	0.815	S	S	*	*			cis	-175.4	-154.9	9.7	0	0	0	0	0	108.7
5	I	50.6	Low	44.1	Very low	132 Å²	132	155.9 Å²	155.9	68%	0.677	82%	0.815	S	S	*	*			cis	-173.3	137.1	-14.9	-98.7	151.7	0	0	0	106.7	L7	I5-L7 HydrophobicContact CG2-CD1 4.12Å
6	L	46.7	Very low	44.2	Very low	153 Å²	153	152.6 Å²	152.6	80%	0.801	81%	0.809	S	S	*	*			trans	177.8	109.3	142.2	-131.6	57.9	0	0	0	108
7	L	44.4	Very low	44.3	Very low	130 Å²	130	150.2 Å²	150.2	68%	0.681	81%	0.805	S	S	*	*				54	100.7	81.9	-73.2	143.3	0	0	0	112.4	I5	I5-L7 HydrophobicContact CG2-CD1 4.12Å
8	L	41.5	Very low	44.3	Very low	135 Å²	135	150.6 Å²	150.6	71%	0.707	80%	0.804	S	S	*	*				83.2	117.7	63.3	-82.4	164	0	0	0	114.7	L10	L8-L10 HydrophobicContact CD2-CG 4.45Å
9	L	47.2	Very low	44.4	Very low	181 Å²	181	151.7 Å²	151.7	95%	0.948	81%	0.805	S	S	*	*			trans	-132.7	138.9	149.8	-81.6	171	0	0	0	107.9
10	L	41.6	Very low	44.3	Very low	161 Å²	161	150.2 Å²	150.2	84%	0.843	81%	0.805	S	S	*	*			trans	-113.7	128.7	-177.1	-79.9	163.1	0	0	0	110.4	L8	L8-L10 HydrophobicContact CD2-CG 4.45Å
11	G	47.2	Very low	44.4	Very low	72 Å²	72	149.2 Å²	149.2	74%	0.742	80%	0.799	S	S	*	*			trans	-125.9	129.3	168.6	0	0	0	0	0	109.5
12	T	41.3	Very low	44.7	Very low	144 Å²	144	141 Å²	141	88%	0.883	76%	0.763	S	S	*	*			trans	-96.5	118.3	-169	42.6	0	0	0	0	112.8
13	T	46.3	Very low	45.3	Very low	113 Å²	113	139.8 Å²	139.8	69%	0.693	76%	0.759	S	S	*	*			trans	-118.3	138.3	162.3	50	0	0	0	0	109.8	F15	T13-F15 PolarHBondContact O-N 2.89Å
14	R	45.9	Very low	46.2	Very low	254 Å²	254	133.6 Å²	133.6	96%	0.958	74%	0.743	S	S	*	*			trans	-79.7	103.7	-175.9	-68.7	-178	178.7	-177.8	-0.4	110.2
15	F	49.1	Very low	46.7	Very low	185 Å²	185	133.3 Å²	133.3	81%	0.811	73%	0.727	S	S	*	*			trans	-80.4	117.6	164	-78.6	-92.7	0	0	0	109.8	T13	T13-F15 PolarHBondContact O-N 2.89Å
16	S	46.4	Very low	46.6	Very low	103 Å²	103	134.2 Å²	134.2	72%	0.72	72%	0.723	S	S	*	*			trans	-63	138.2	161.9	-70.3	0	0	0	0	109.1	I18	S16-I18 PolarHBondContact O-N 3.21Å
17	P	45	Very low	46.8	Very low	113 Å²	113	134 Å²	134	73%	0.734	72%	0.716	S	S	*	*			trans	-68.9	104.1	176.3	28.4	-33.1	0	0	0	109.2	Q19	P17-Q19 VanDerWaalsContact C-N 3.33Å; P17-Q19 PolarHBondContact O-N 3.09Å
18	I	45.3	Very low	47.1	Very low	156 Å²	156	134.8 Å²	134.8	80%	0.8	71%	0.714	S	S	*	*			trans	-62.3	103.7	159.1	-62.3	177.1	0	0	0	105.3	S16 C20	S16-I18 PolarHBondContact O-N 3.21Å; I18-C20 PolarHBondContact O-N 3.34Å
19	Q	45.3	Very low	47.4	Very low	173 Å²	173	135.6 Å²	135.6	81%	0.808	72%	0.716	S	S	*	*			trans	-66.2	102.8	176.8	-72.6	-179.4	-53.4	0	0	108	P17 I21	P17-Q19 VanDerWaalsContact C-N 3.33Å; P17-Q19 PolarHBondContact O-N 3.09Å; Q19-I21 PolarHBondContact O-N 3.08Å
20	C	42.1	Very low	47.6	Very low	121 Å²	121	133 Å²	133	82%	0.818	70%	0.697	S	S	*	*			trans	-55.9	108	171.8	-65.1	0	0	0	0	108.6	I18 S22	I18-C20 PolarHBondContact O-N 3.34Å; C20-S22 PolarHBondContact O-N 3.08Å; C20-S22 VanDerWaalsContact O-N 3.16Å
21	I	46.5	Very low	47.5	Very low	130 Å²	130	129.3 Å²	129.3	67%	0.667	69%	0.685	S	S	*	*			trans	-58.3	119.2	172.2	-62.8	174.3	0	0	0	106.5	Q19 V25	Q19-I21 PolarHBondContact O-N 3.08Å; I21-V25 HydrophobicContact CG2-CB 3.63Å; I21-V25 HydrophobicContact CG2-CG1 3.92Å; I21-V25 HydrophobicContact CG2-CG2 4.19Å
22	S	45.4	Very low	47.2	Very low	57 Å²	57	135 Å²	135	40%	0.399	69%	0.692	S	S	.	*			trans	-58.6	144.5	177.8	-175.3	0	0	0	0	109.9	C20 D24 V25	C20-S22 PolarHBondContact O-N 3.08Å; C20-S22 VanDerWaalsContact O-N 3.16Å; S22-D24 WeakPolarHBondContact CB-OD2 3.45Å; S22-D24 PolarHBondContact O-N 3.45Å; S22-D24 PolarHBondContact OG-N 3.49Å; S22-D24 PolarHBondContact OG-OD2 3.07Å; S22-V25 PolarHBondContact O-N 3.46Å
23	N	51.3	Low	47.4	Very low	122 Å²	122	136 Å²	136	65%	0.652	69%	0.687	S	S	*	*	H	α-helix	trans	-52.4	-26.6	171.1	-76.9	-28.3	0	0	0	111.9	V25 Y26 F27	N23-V25 PolarHBondContact O-N 3.31Å; N23-Y26 PolarHBondContact O-N 3.48Å; N23-F27 WeakPolarHBondContact O-CD2 3.33Å; N23-F27 PolarHBondContact O-N 2.99Å
24	D	57.4	Low	47.5	Very low	100 Å²	100	134.6 Å²	134.6	54%	0.535	69%	0.686	S	S	.	*	H	α-helix	trans	-54.8	-31.8	172.1	-57	-59	0	0	0	113.8	S22 K28	S22-D24 WeakPolarHBondContact CB-OD2 3.45Å; S22-D24 PolarHBondContact O-N 3.45Å; S22-D24 PolarHBondContact OG-N 3.49Å; S22-D24 PolarHBondContact OG-OD2 3.07Å; D24-K28 WeakPolarHBondContact O-CB 3.36Å; D24-K28 WeakPolarHBondContact O-CD 3.45Å; D24-K28 WeakPolarHBondContact O-CG 3.43Å; D24-K28 PolarHBondContact O-N 2.87Å
25	V	54.9	Low	47.8	Very low	64 Å²	64	128 Å²	128	39%	0.388	68%	0.677	S	S	.	*	H	α-helix	trans	-83	-40.7	179.1	-178.6	0	0	0	0	110.2	I21 S22 N23 K28 M29	I21-V25 HydrophobicContact CG2-CB 3.63Å; I21-V25 HydrophobicContact CG2-CG1 3.92Å; I21-V25 HydrophobicContact CG2-CG2 4.19Å; S22-V25 PolarHBondContact O-N 3.46Å; N23-V25 PolarHBondContact O-N 3.31Å; V25-K28 PolarHBondContact O-N 3.03Å; V25-K28 VanDerWaalsContact O-N 3.17Å; V25-M29 HydrophobicContact CG1-CE 4.32Å; V25-M29 PolarHBondContact O-N 3.38Å; V25-M29 VanDerWaalsContact O-N 3.08Å
26	Y	47.1	Very low	48.5	Very low	151 Å²	151	125.3 Å²	125.3	59%	0.592	68%	0.678	S	S	*	*	H	α-helix	trans	-63.8	-43.5	177.4	-155.1	-96.8	0	0	0	111.3	N23 K28 M29 F30	N23-Y26 PolarHBondContact O-N 3.48Å; Y26-K28 VanDerWaalsContact C-N 3.35Å; Y26-K28 PolarHBondContact O-N 3.12Å; Y26-M29 PolarHBondContact O-N 3.37Å; Y26-F30 HydrophobicContact CD1-CE2 4.2Å; Y26-F30 AromaticContact CE1-CE2 3.88Å; Y26-F30 HydrophobicContact CE1-CE2 3.88Å; Y26-F30 WeakPolarHBondContact O-CD2 3.47Å
27	F	50.6	Low	50.2	Low	150 Å²	150	126.7 Å²	126.7	66%	0.658	67%	0.673	S	S	*	*	H	α-helix	trans	-67.2	-31	172.4	-87	-84.7	0	0	0	113.4	N23 M29 F30 S31	N23-F27 WeakPolarHBondContact O-CD2 3.33Å; N23-F27 PolarHBondContact O-N 2.99Å; F27-M29 VanDerWaalsContact C-N 3.32Å; F27-M29 PolarHBondContact O-N 2.94Å; F27-F30 PolarHBondContact O-N 3.25Å; F27-S31 PolarHBondContact O-N 3.36Å; F27-S31 PolarHBondContact O-OG 2.93Å
28	K	52.8	Low	52.2	Low	146 Å²	146	124.3 Å²	124.3	64%	0.635	65%	0.654	S	S	*	*	H	α-helix	trans	-68	-27.9	173.6	-80.2	168	-166.5	167.3	0	113.3	D24 V25 Y26 F30 S31	D24-K28 WeakPolarHBondContact O-CB 3.36Å; D24-K28 WeakPolarHBondContact O-CD 3.45Å; D24-K28 WeakPolarHBondContact O-CG 3.43Å; D24-K28 PolarHBondContact O-N 2.87Å; V25-K28 PolarHBondContact O-N 3.03Å; V25-K28 VanDerWaalsContact O-N 3.17Å; Y26-K28 VanDerWaalsContact C-N 3.35Å; Y26-K28 PolarHBondContact O-N 3.12Å; K28-F30 VanDerWaalsContact C-N 3.25Å; K28-F30 PolarHBondContact O-N 3.26Å; K28-S31 WeakPolarHBondContact O-CB 3.44Å; K28-S31 PolarHBondContact O-N 3.38Å; K28-S31 VanDerWaalsContact O-N 3.14Å
29	M	46	Very low	54.6	Low	152 Å²	152	119.6 Å²	119.6	75%	0.749	63%	0.633	S	S	*	*	H	α-helix	trans	-68.7	-21	174	-70.5	-176.9	175.4	0	0	113.7	V25 Y26 F27	V25-M29 HydrophobicContact CG1-CE 4.32Å; V25-M29 PolarHBondContact O-N 3.38Å; V25-M29 VanDerWaalsContact O-N 3.08Å; Y26-M29 PolarHBondContact O-N 3.37Å; F27-M29 VanDerWaalsContact C-N 3.32Å; F27-M29 PolarHBondContact O-N 2.94Å
30	F	52.2	Low	57	Low	125 Å²	125	111.3 Å²	111.3	55%	0.548	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.5	-2.3	171.8	-69.3	-81.2	0	0	0	113.9	Y26 F27 K28 Q32 Q33	Y26-F30 HydrophobicContact CD1-CE2 4.2Å; Y26-F30 AromaticContact CE1-CE2 3.88Å; Y26-F30 HydrophobicContact CE1-CE2 3.88Å; Y26-F30 WeakPolarHBondContact O-CD2 3.47Å; F27-F30 PolarHBondContact O-N 3.25Å; K28-F30 VanDerWaalsContact C-N 3.25Å; K28-F30 PolarHBondContact O-N 3.26Å; F30-Q32 PolarHBondContact O-N 2.82Å; F30-Q33 PolarHBondContact O-N 3.09Å
31	S	40	Very low	59.6	Low	84 Å²	84	108.8 Å²	108.8	59%	0.587	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	34.4	-171.8	-62.6	0	0	0	0	114.9	F27 K28	F27-S31 PolarHBondContact O-N 3.36Å; F27-S31 PolarHBondContact O-OG 2.93Å; K28-S31 WeakPolarHBondContact O-CB 3.44Å; K28-S31 PolarHBondContact O-N 3.38Å; K28-S31 VanDerWaalsContact O-N 3.14Å
32	Q	40.8	Very low	61.7	Low	192 Å²	192	105.3 Å²	105.3	90%	0.897	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.7	12	170.2	-73.9	-163.4	-8.5	0	0	114.1	F30 A34	F30-Q32 PolarHBondContact O-N 2.82Å; Q32-A34 PolarHBondContact O-N 2.85Å
33	Q	44.5	Very low	63.9	Low	166 Å²	166	110.3 Å²	110.3	78%	0.776	57%	0.565	S	S	*	*	S	Bend	trans	-67.8	130.8	158.3	-70.4	-175.5	-17.4	0	0	108.8	F30	F30-Q33 PolarHBondContact O-N 3.09Å
34	A	48.2	Very low	65.9	Low	82 Å²	82	107.8 Å²	107.8	68%	0.678	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-55.9	147.9	176.6	0	0	0	0	0	110.5	Q32	Q32-A34 PolarHBondContact O-N 2.85Å
35	P	53.5	Low	67.5	Low	117 Å²	117	110.5 Å²	110.5	76%	0.76	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-54	127.8	176.3	24	-34.1	0	0	0	108.8	E37	P35-E37 PolarHBondContact O-N 3.05Å; P35-E37 VanDerWaalsContact O-N 3.11Å
36	P	63.9	Low	69.4	Low	128 Å²	128	113 Å²	113	83%	0.831	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-59.1	119.9	-166.5	20.4	-32.4	0	0	0	110.6	D38	P36-D38 PolarHBondContact O-N 2.65Å; P36-D38 VanDerWaalsContact O-N 3.15Å
37	E	81	Confident	71.7	Confident	132 Å²	132	108 Å²	108	62%	0.617	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-54.8	118.3	177.1	-66.1	-175.8	167.6	0	0	108.6	P35 P39 K43	P35-E37 PolarHBondContact O-N 3.05Å; P35-E37 VanDerWaalsContact O-N 3.11Å; E37-P39 WeakPolarHBondContact O-CD 3.31Å; E37-K43 VanDerWaalsContact CD-NZ 3.3Å; E37-K43 IonicContact OE1-NZ 3.61Å; E37-K43 PolarHBondContact OE1-NZ 2.04Å; E37-K43 WeakPolarHBondContact OE2-CE 3.46Å; E37-K43 IonicContact OE2-NZ 3.67Å; E37-K43 PolarHBondContact OE2-NZ 3.44Å
38	D	88.1	Confident	73.9	Confident	62 Å²	62	106.9 Å²	106.9	33%	0.332	56%	0.556	S	S	.	*			trans	-60.4	112.8	178.9	176.1	3.8	0	0	0	108.8	P36 C40 Y41 S335	P36-D38 PolarHBondContact O-N 2.65Å; P36-D38 VanDerWaalsContact O-N 3.15Å; D38-C40 PolarHBondContact O-N 3.27Å; D38-C40 WeakPolarHBondContact OD1-CB 3.42Å; D38-C40 PolarHBondContact OD1-N 3.49Å; D38-Y41 HydrophobicContact CB-CD2 4.17Å; D38-Y41 PolarHBondContact O-N 3.03Å; D38-Y41 WeakPolarHBondContact OD2-CD2 3.46Å; D38-Y41 VanDerWaalsContact OD2-CE2 3.23Å; D38-Y41 WeakPolarHBondContact OD2-CE2 3.39Å; D38-S335 PolarHBondContact OD2-OG 3.48Å
39	P	93.9	Very high	75.9	Confident	57 Å²	57	101.8 Å²	101.8	37%	0.37	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-1.4	-171.6	30.4	-35.1	0	0	0	112.9	E37 Y41 R48	E37-P39 WeakPolarHBondContact O-CD 3.31Å; P39-Y41 VanDerWaalsContact C-N 3.26Å; P39-R48 PolarHBondContact O-NE 2.56Å; P39-R48 PolarHBondContact O-NH2 2.69Å
40	C	96.4	Very high	78.3	Confident	0 Å²	0	94.8 Å²	94.8	0%	0	51%	0.507	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-9.6	164.9	-61.6	0	0	0	0	114.4	D38 R48 C50 H336	D38-C40 PolarHBondContact O-N 3.27Å; D38-C40 WeakPolarHBondContact OD1-CB 3.42Å; D38-C40 PolarHBondContact OD1-N 3.49Å; C40-R48 PolarHBondContact O-N 3.06Å; C40-R48 VanDerWaalsContact O-O 3.08Å; C40-C50 VanDerWaalsContact CA-SG 3.51Å; C40-C50 HydrophobicContact CB-CB 3.83Å; C40-C50 WeakPolarHBondContact CB-SG 3.32Å; C40-C50 WeakPolarHBondContact SG-CB 3.36Å; C40-C50 CovalentContact SG-SG 2.03Å; C40-C50 PolarHBondContact SG-SG 3.08Å; C40-H336 PolarHBondContact O-NE2 2.86Å
41	Y	96.1	Very high	80.4	Confident	68 Å²	68	93.3 Å²	93.3	27%	0.267	50%	0.504	S	S	.	.	B	Isolated β-bridge	trans	-125.5	157.3	175.6	-55.7	-87.7	0	0	0	111	D38 P39 E46 P47 R48 H336	D38-Y41 HydrophobicContact CB-CD2 4.17Å; D38-Y41 PolarHBondContact O-N 3.03Å; D38-Y41 WeakPolarHBondContact OD2-CD2 3.46Å; D38-Y41 VanDerWaalsContact OD2-CE2 3.23Å; D38-Y41 WeakPolarHBondContact OD2-CE2 3.39Å; P39-Y41 VanDerWaalsContact C-N 3.26Å; Y41-E46 CarbonylContact C-O 3.54Å; Y41-E46 VanDerWaalsContact CA-O 3.29Å; Y41-E46 WeakPolarHBondContact CA-O 3.37Å; Y41-P47 HydrophobicContact CD1-CB 4.49Å; Y41-P47 HydrophobicContact CD1-CG 4.3Å; Y41-P47 HydrophobicContact CE1-CB 4.41Å; Y41-P47 HydrophobicContact CE1-CG 4.09Å; Y41-R48 PolarHBondContact O-NE 3.12Å; Y41-H336 PolarHBondContact OH-N 2.94Å
42	N	92.2	Very high	83.1	Confident	56 Å²	56	89.6 Å²	89.6	30%	0.299	48%	0.478	S	S	.	.			trans	-86.1	178.3	167.4	77.1	6.9	0	0	0	110.8	A44 H45 E46	N42-A44 PolarHBondContact O-N 3.33Å; N42-A44 WeakPolarHBondContact OD1-CA 3.44Å; N42-A44 WeakPolarHBondContact OD1-CB 3.07Å; N42-A44 PolarHBondContact OD1-N 2.79Å; N42-H45 WeakPolarHBondContact O-CA 3.2Å; N42-H45 PolarHBondContact O-N 3.48Å; N42-H45 PolarHBondContact OD1-N 3.26Å; N42-E46 PolarHBondContact N-O 3.25Å; N42-E46 PolarHBondContact ND2-OE2 2.93Å; N42-E46 WeakPolarHBondContact OD1-CB 3.27Å; N42-E46 PolarHBondContact OD1-N 3.4Å
43	K	91.4	Very high	85.7	Confident	162 Å²	162	86.3 Å²	86.3	70%	0.704	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-9.5	-180	-62.5	-172.8	-177.2	-105.2	0	114.5	E37	E37-K43 VanDerWaalsContact CD-NZ 3.3Å; E37-K43 IonicContact OE1-NZ 3.61Å; E37-K43 PolarHBondContact OE1-NZ 2.04Å; E37-K43 WeakPolarHBondContact OE2-CE 3.46Å; E37-K43 IonicContact OE2-NZ 3.67Å; E37-K43 PolarHBondContact OE2-NZ 3.44Å
44	A	93	Very high	88.2	Confident	70 Å²	70	82.2 Å²	82.2	58%	0.579	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	8.4	169.1	0	0	0	0	0	112.6	N42 E46	N42-A44 PolarHBondContact O-N 3.33Å; N42-A44 WeakPolarHBondContact OD1-CA 3.44Å; N42-A44 WeakPolarHBondContact OD1-CB 3.07Å; N42-A44 PolarHBondContact OD1-N 2.79Å; A44-E46 HydrophobicContact CB-CG 4.17Å; A44-E46 PolarHBondContact O-N 3.33Å
45	H	91	Very high	90.4	Very high	157 Å²	157	81.3 Å²	81.3	73%	0.727	43%	0.432	S	S	*	.			trans	60.8	20.8	-173.1	-60	-58.7	0	0	0	115.2	N42	N42-H45 WeakPolarHBondContact O-CA 3.2Å; N42-H45 PolarHBondContact O-N 3.48Å; N42-H45 PolarHBondContact OD1-N 3.26Å
46	E	94.1	Very high	92.4	Very high	117 Å²	117	77.8 Å²	77.8	55%	0.547	41%	0.407	S	S	.	.			trans	-79.1	138	172	-53.9	174.6	117	0	0	110.1	Y41 N42 A44	Y41-E46 CarbonylContact C-O 3.54Å; Y41-E46 VanDerWaalsContact CA-O 3.29Å; Y41-E46 WeakPolarHBondContact CA-O 3.37Å; N42-E46 PolarHBondContact N-O 3.25Å; N42-E46 PolarHBondContact ND2-OE2 2.93Å; N42-E46 WeakPolarHBondContact OD1-CB 3.27Å; N42-E46 PolarHBondContact OD1-N 3.4Å; A44-E46 HydrophobicContact CB-CG 4.17Å; A44-E46 PolarHBondContact O-N 3.33Å
47	P	96.4	Very high	93.9	Very high	46 Å²	46	72.4 Å²	72.4	30%	0.299	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-58	140.2	176.1	-26	35.2	0	0	0	113.5	Y41 A363 E365	Y41-P47 HydrophobicContact CD1-CB 4.49Å; Y41-P47 HydrophobicContact CD1-CG 4.3Å; Y41-P47 HydrophobicContact CE1-CB 4.41Å; Y41-P47 HydrophobicContact CE1-CG 4.09Å; P47-A363 HydrophobicContact CB-CB 3.52Å; P47-A363 WeakPolarHBondContact O-CB 3.31Å; P47-E365 HydrophobicContact CB-CB 4.36Å; P47-E365 HydrophobicContact CB-CG 4.35Å; P47-E365 HydrophobicContact CG-CB 4.36Å; P47-E365 HydrophobicContact CG-CG 3.92Å
48	R	95.9	Very high	94.6	Very high	126 Å²	126	66.1 Å²	66.1	48%	0.475	34%	0.343	S	S	.	.			trans	-142.5	152.4	170.7	68.7	175.3	-165.4	170.9	3.6	110.6	P39 C40 Y41 C50 H336	P39-R48 PolarHBondContact O-NE 2.56Å; P39-R48 PolarHBondContact O-NH2 2.69Å; C40-R48 PolarHBondContact O-N 3.06Å; C40-R48 VanDerWaalsContact O-O 3.08Å; Y41-R48 PolarHBondContact O-NE 3.12Å; R48-C50 PolarHBondContact O-N 3.48Å; R48-H336 PolarHBondContact O-CE1 3.17Å; R48-H336 PolarHBondContact O-NE2 3.21Å; R48-H336 VanDerWaalsContact O-NE2 3.16Å
49	A	95.6	Very high	94.9	Very high	38 Å²	38	69.3 Å²	69.3	31%	0.314	35%	0.352	S	S	.	.			trans	-55.8	131.8	179.5	0	0	0	0	0	112.4	A358 T359	A49-A358 HydrophobicContact CB-CB 3.78Å; A49-T359 WeakPolarHBondContact CB-O 3.43Å
50	C	96.5	Very high	94.8	Very high	6 Å²	6	73.1 Å²	73.1	4%	0.041	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-133.4	133	178.1	55	0	0	0	0	110.8	C40 R48 G317 H318 A319	C40-C50 VanDerWaalsContact CA-SG 3.51Å; C40-C50 HydrophobicContact CB-CB 3.83Å; C40-C50 WeakPolarHBondContact CB-SG 3.32Å; C40-C50 WeakPolarHBondContact SG-CB 3.36Å; C40-C50 CovalentContact SG-SG 2.03Å; C40-C50 PolarHBondContact SG-SG 3.08Å; R48-C50 PolarHBondContact O-N 3.48Å; C50-G317 PolarHBondContact N-O 2.88Å; C50-G317 CarbonylContact O-C 3.59Å; C50-G317 WeakPolarHBondContact O-CA 3.28Å; C50-H318 PolarHBondContact O-N 2.92Å; C50-A319 CarbonylContact C-O 3.5Å; C50-A319 PolarHBondContact O-N 2.87Å; C50-A319 VanDerWaalsContact O-O 3.1Å; C50-A319 PolarHBondContact SG-N 3.4Å
51	I	95.6	Very high	94.7	Very high	93 Å²	93	74 Å²	74	48%	0.477	38%	0.376	S	S	.	.			trans	-125.4	147.3	-178.1	58.4	177.6	0	0	0	110	A319	I51-A319 CarbonylContact C-O 3.27Å
52	P	96.7	Very high	94.6	Very high	7 Å²	7	75.9 Å²	75.9	5%	0.045	40%	0.397	C	S	.	.	P	Polyproline II helix	trans	-66	159.5	174.2	-24.1	38	0	0	0	113	R312 C313 C315 A319 S320	P52-R312 WeakPolarHBondContact O-CD 3.35Å; P52-R312 PolarHBondContact O-NH1 2.9Å; P52-C313 HydrophobicContact CB-CB 3.99Å; P52-C313 HydrophobicContact CG-CB 4.03Å; P52-C313 WeakPolarHBondContact CG-O 3.03Å; P52-C315 HydrophobicContact CG-CB 4.22Å; P52-C315 VanDerWaalsContact CG-SG 3.57Å; P52-A319 VanDerWaalsContact CD-O 3.24Å; P52-A319 WeakPolarHBondContact CD-O 3.2Å; P52-S320 WeakPolarHBondContact CA-O 3.42Å
53	D	95.1	Very high	94.8	Very high	122 Å²	122	73.8 Å²	73.8	65%	0.652	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-56.6	157.9	175.9	-67.9	-49.7	0	0	0	113.8
54	F	96.9	Very high	95.1	Very high	81 Å²	81	71 Å²	71	36%	0.355	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	128.7	176.1	-171.5	-88.3	0	0	0	109.8	Y142 G310 R312	F54-Y142 AromaticContact CE1-CE1 3.93Å; F54-Y142 HydrophobicContact CE1-CE1 3.93Å; F54-Y142 HydrophobicContact CZ-CD1 4.19Å; F54-Y142 AromaticContact CZ-CE1 3.6Å; F54-Y142 HydrophobicContact CZ-CE1 3.6Å; F54-G310 VanDerWaalsContact CZ-C 3.48Å; F54-R312 HydrophobicContact CB-CG 4.36Å; F54-R312 HydrophobicContact CD2-CG 4.09Å
55	V	95.2	Very high	95.3	Very high	63 Å²	63	68.6 Å²	68.6	38%	0.382	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	154.6	-174.7	-64.8	0	0	0	0	111.3	A57 F138 G311	V55-A57 HydrophobicContact CG2-CB 4.43Å; V55-A57 PolarHBondContact O-N 2.88Å; V55-F138 HydrophobicContact CG2-CE1 3.97Å; V55-G311 PolarHBondContact N-O 2.03Å; V55-G311 PolarHBondContact O-N 3.45Å; V55-G311 VanDerWaalsContact O-N 3.08Å
56	N	95.5	Very high	95.5	Very high	42 Å²	42	64.5 Å²	64.5	23%	0.225	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	98.1	155.9	-178.7	10.2	0	0	0	107.9	A58 Y59 S308 V309	N56-A58 PolarHBondContact O-N 2.98Å; N56-A58 VanDerWaalsContact O-N 3.14Å; N56-A58 WeakPolarHBondContact OD1-CB 3.35Å; N56-A58 PolarHBondContact OD1-N 2.93Å; N56-Y59 WeakPolarHBondContact O-CB 2.99Å; N56-Y59 PolarHBondContact O-N 2.97Å; N56-Y59 VanDerWaalsContact O-N 3.14Å; N56-S308 PolarHBondContact ND2-OG 3.36Å; N56-S308 VanDerWaalsContact ND2-OG 3.15Å; N56-S308 WeakPolarHBondContact OD1-CA 3.48Å; N56-V309 CarbonylContact C-O 3.6Å; N56-V309 PolarHBondContact OD1-N 2.97Å; N56-V309 PolarHBondContact OD1-O 2.98Å
57	A	95.2	Very high	95.5	Very high	15 Å²	15	59.8 Å²	59.8	12%	0.124	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-3.4	-179.2	0	0	0	0	0	113.6	V55 L134 F138 V309	V55-A57 HydrophobicContact CG2-CB 4.43Å; V55-A57 PolarHBondContact O-N 2.88Å; A57-L134 HydrophobicContact CB-CD2 4.09Å; A57-L134 WeakPolarHBondContact O-CD2 3.35Å; A57-F138 HydrophobicContact CB-CD1 3.78Å; A57-F138 HydrophobicContact CB-CD2 4.46Å; A57-F138 HydrophobicContact CB-CE1 3.68Å; A57-F138 HydrophobicContact CB-CE2 4.38Å; A57-F138 HydrophobicContact CB-CG 4.19Å; A57-F138 HydrophobicContact CB-CZ 4Å; A57-V309 PolarHBondContact N-O 3.48Å
58	A	96.2	Very high	95.4	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-16.5	171.3	0	0	0	0	0	113.7	N56 D60 A61 T105 L132 F307 V309	N56-A58 PolarHBondContact O-N 2.98Å; N56-A58 VanDerWaalsContact O-N 3.14Å; N56-A58 WeakPolarHBondContact OD1-CB 3.35Å; N56-A58 PolarHBondContact OD1-N 2.93Å; A58-D60 PolarHBondContact O-N 3.02Å; A58-A61 WeakPolarHBondContact O-CB 3.04Å; A58-A61 PolarHBondContact O-N 3.44Å; A58-T105 HydrophobicContact CB-CG2 4.03Å; A58-T105 WeakPolarHBondContact O-CB 3.39Å; A58-T105 WeakPolarHBondContact O-CG2 3.36Å; A58-L132 HydrophobicContact CB-CD2 3.49Å; A58-L132 VanDerWaalsContact CB-CD2 3.49Å; A58-F307 WeakPolarHBondContact CB-O 3.02Å; A58-V309 HydrophobicContact CB-CB 4.08Å; A58-V309 HydrophobicContact CB-CG2 4.18Å
59	Y	94.1	Very high	95.4	Very high	130 Å²	130	52.5 Å²	52.5	51%	0.51	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	130.2	-173.8	-177	-92.2	0	0	0	111.9	N56 A61 L107	N56-Y59 WeakPolarHBondContact O-CB 2.99Å; N56-Y59 PolarHBondContact O-N 2.97Å; N56-Y59 VanDerWaalsContact O-N 3.14Å; Y59-A61 PolarHBondContact O-N 3.37Å; Y59-L107 HydrophobicContact CE2-CB 4.48Å; Y59-L107 HydrophobicContact CE2-CD1 4.36Å
60	D	92	Very high	95.2	Very high	137 Å²	137	50.9 Å²	50.9	73%	0.733	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	12.7	-172.3	-157.7	37.7	0	0	0	114.9	A58 T105	A58-D60 PolarHBondContact O-N 3.02Å; D60-T105 PolarHBondContact N-O 2.99Å
61	A	93	Very high	94.9	Very high	17 Å²	17	53.9 Å²	53.9	14%	0.14	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-85.9	138.9	178.6	0	0	0	0	0	111.2	A58 Y59 V63 T105 L132	A58-A61 WeakPolarHBondContact O-CB 3.04Å; A58-A61 PolarHBondContact O-N 3.44Å; Y59-A61 PolarHBondContact O-N 3.37Å; A61-V63 PolarHBondContact O-N 2.94Å; A61-T105 WeakPolarHBondContact O-CB 3.28Å; A61-T105 PolarHBondContact O-OG1 2.89Å; A61-L132 HydrophobicContact CB-CD1 3.54Å
62	P	94	Very high	94.5	Very high	108 Å²	108	53.7 Å²	53.7	70%	0.701	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-72.5	123.2	-179.1	28.3	-34.1	0	0	0	111.7
63	V	97.4	Very high	94.2	Very high	13 Å²	13	55.2 Å²	55.2	8%	0.079	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	127.6	173.7	-175.3	0	0	0	0	110.3	A61 L104 T105 L130 L132 F307	A61-V63 PolarHBondContact O-N 2.94Å; V63-L104 HydrophobicContact CB-CD1 3.95Å; V63-L104 HydrophobicContact CG1-CD1 3.71Å; V63-L104 HydrophobicContact CG2-CB 4.29Å; V63-L104 HydrophobicContact CG2-CD1 4.34Å; V63-T105 HydrophobicContact CG2-CG2 3.59Å; V63-L130 HydrophobicContact CG1-CB 3.98Å; V63-L130 HydrophobicContact CG1-CD2 4.33Å; V63-L132 HydrophobicContact CG2-CB 4.4Å; V63-L132 HydrophobicContact CG2-CD1 4.24Å; V63-F307 HydrophobicContact CG1-CD1 4.19Å; V63-F307 HydrophobicContact CG1-CE1 4.15Å; V63-F307 HydrophobicContact CG2-CD1 4.06Å; V63-F307 HydrophobicContact CG2-CE1 4.4Å
64	V	97.6	Very high	94	Very high	102 Å²	102	52.5 Å²	52.5	62%	0.618	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.1	106.6	172.7	-178.6	0	0	0	0	109	T131	V64-T131 PolarHBondContact N-O 2.03Å; V64-T131 PolarHBondContact O-N 3.19Å
65	A	97.1	Very high	93.7	Very high	21 Å²	21	50.2 Å²	50.2	17%	0.174	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	137.7	170.6	0	0	0	0	0	110.9	S67 A101 W116 T129 L130	A65-S67 VanDerWaalsContact C-N 3.34Å; A65-A101 HydrophobicContact CB-CB 3.85Å; A65-W116 HydrophobicContact CB-CZ2 4.12Å; A65-T129 CarbonylContact C-O 3.48Å; A65-T129 WeakPolarHBondContact CA-O 3.29Å; A65-L130 HydrophobicContact CB-CD2 3.57Å
66	S	95.4	Very high	93.4	Very high	71 Å²	71	55.4 Å²	55.4	50%	0.497	33%	0.33	S	S	.	.	S	Bend	trans	-85.9	-2.7	178.5	66.2	0	0	0	0	115	T129	S66-T129 VanDerWaalsContact CB-OG1 3.26Å; S66-T129 WeakPolarHBondContact CB-OG1 3.37Å; S66-T129 PolarHBondContact N-O 3.3Å; S66-T129 PolarHBondContact OG-N 3.15Å; S66-T129 PolarHBondContact OG-OG1 3.3Å
67	S	94.1	Very high	93.1	Very high	17 Å²	17	54.2 Å²	54.2	12%	0.119	32%	0.323	C	S	.	.			trans	-154	147.1	170	172.8	0	0	0	0	107.3	A65 W116 E119	A65-S67 VanDerWaalsContact C-N 3.34Å; S67-W116 WeakPolarHBondContact O-CZ2 3.35Å; S67-W116 PolarHBondContact O-NE1 3.5Å; S67-E119 VanDerWaalsContact OG-CB 3.27Å; S67-E119 WeakPolarHBondContact OG-CB 3.22Å; S67-E119 WeakPolarHBondContact OG-CG 3.39Å; S67-E119 PolarHBondContact OG-N 3.13Å; S67-E119 VanDerWaalsContact OG-N 3.08Å; S67-E119 PolarHBondContact OG-OE2 2.89Å
68	T	95.4	Very high	92.6	Very high	16 Å²	16	53.7 Å²	53.7	10%	0.098	32%	0.318	C	S	.	.			trans	-156	130.5	176.6	-65.3	0	0	0	0	107.5	S71 M92 F99 W116 R117 E119	T68-S71 WeakPolarHBondContact O-CB 3.48Å; T68-S71 PolarHBondContact O-N 3.07Å; T68-S71 PolarHBondContact O-OG 3.4Å; T68-M92 HydrophobicContact CG2-CE 3.78Å; T68-F99 WeakPolarHBondContact CG2-O 3.35Å; T68-W116 PolarHBondContact OG1-NE1 3.07Å; T68-R117 CarbonylContact C-O 3.6Å; T68-R117 WeakPolarHBondContact CA-O 3.45Å; T68-E119 WeakPolarHBondContact O-CG 3.44Å
69	C	94	Very high	92	Very high	3 Å²	3	54.7 Å²	54.7	2%	0.02	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	151.4	-175	69.7	0	0	0	0	112.2	S71 Q75 C90 R117 S118	C69-S71 PolarHBondContact O-N 2.97Å; C69-Q75 VanDerWaalsContact CA-OE1 3.25Å; C69-C90 HydrophobicContact CB-CB 3.64Å; C69-C90 WeakPolarHBondContact CB-SG 3.48Å; C69-C90 PolarHBondContact O-SG 3.23Å; C69-C90 VanDerWaalsContact O-SG 3.35Å; C69-C90 WeakPolarHBondContact SG-CB 3.27Å; C69-C90 CovalentContact SG-SG 2.03Å; C69-C90 PolarHBondContact SG-SG 3.22Å; C69-R117 PolarHBondContact N-O 3.03Å; C69-S118 WeakPolarHBondContact CB-O 3.49Å
70	G	92.7	Very high	91	Very high	5 Å²	5	51.8 Å²	51.8	5%	0.052	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	-9.3	-178.3	0	0	0	0	0	115.1	S72 G73	G70-S72 VanDerWaalsContact C-N 3.29Å; G70-S72 PolarHBondContact O-N 3.04Å; G70-G73 CarbonylContact C-O 3.55Å; G70-G73 VanDerWaalsContact CA-O 3.26Å; G70-G73 WeakPolarHBondContact CA-O 3.4Å; G70-G73 PolarHBondContact O-N 3.29Å
71	S	89.6	Confident	90	Very high	68 Å²	68	49.7 Å²	49.7	48%	0.476	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-23.7	-175.6	58.6	0	0	0	0	114.5	T68 C69	T68-S71 WeakPolarHBondContact O-CB 3.48Å; T68-S71 PolarHBondContact O-N 3.07Å; T68-S71 PolarHBondContact O-OG 3.4Å; C69-S71 PolarHBondContact O-N 2.97Å
72	S	88.4	Confident	88.9	Confident	90 Å²	90	55.2 Å²	55.2	63%	0.629	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.4	14.9	177.1	50.3	0	0	0	0	112.8	G70 Q75 E119	G70-S72 VanDerWaalsContact C-N 3.29Å; G70-S72 PolarHBondContact O-N 3.04Å; S72-Q75 PolarHBondContact OG-NE2 3.35Å; S72-E119 PolarHBondContact OG-OE1 3.27Å
73	G	89.5	Confident	87.6	Confident	38 Å²	38	56.1 Å²	56.1	39%	0.392	32%	0.319	S	S	.	.	S	Bend	trans	111	175.6	-171.3	0	0	0	0	0	112.1	G70 Q75	G70-G73 CarbonylContact C-O 3.55Å; G70-G73 VanDerWaalsContact CA-O 3.26Å; G70-G73 WeakPolarHBondContact CA-O 3.4Å; G70-G73 PolarHBondContact O-N 3.29Å; G73-Q75 WeakPolarHBondContact O-CG 3.43Å; G73-Q75 PolarHBondContact O-N 2.99Å
74	A	91.5	Very high	86.6	Confident	66 Å²	66	62.8 Å²	62.8	55%	0.545	35%	0.349	S	S	.	.			trans	-60.8	127.9	-178	0	0	0	0	0	112.3	T89 C90 D91	A74-T89 HydrophobicContact CB-CG2 3.99Å; A74-C90 WeakPolarHBondContact CA-O 3.36Å; A74-D91 HydrophobicContact CB-CB 4.39Å; A74-D91 WeakPolarHBondContact CB-OD2 3.4Å
75	Q	89.5	Confident	85.9	Confident	33 Å²	33	62.7 Å²	62.7	15%	0.154	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	142.9	-173.9	-74.9	169.4	-10.2	0	0	111.8	C69 S72 G73 T89 C90 E119	C69-Q75 VanDerWaalsContact CA-OE1 3.25Å; S72-Q75 PolarHBondContact OG-NE2 3.35Å; G73-Q75 WeakPolarHBondContact O-CG 3.43Å; G73-Q75 PolarHBondContact O-N 2.99Å; Q75-T89 CarbonylContact O-C 3.45Å; Q75-T89 WeakPolarHBondContact O-CA 3.36Å; Q75-C90 PolarHBondContact N-O 3.09Å; Q75-C90 PolarHBondContact O-N 2.7Å; Q75-E119 PolarHBondContact NE2-OE1 2.85Å
76	R	90.4	Very high	85.3	Confident	172 Å²	172	63.7 Å²	63.7	65%	0.649	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	124.7	173.3	-170	-178.7	-176	-157.3	1.3	110.5	C87 H88 P120	R76-C87 HydrophobicContact CG-CB 4.31Å; R76-H88 WeakPolarHBondContact CA-O 3.43Å; R76-P120 WeakPolarHBondContact O-CG 3.44Å
77	Y	88.1	Confident	85	Confident	17 Å²	17	61.8 Å²	61.8	7%	0.067	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	161.1	167.3	71.2	-89.8	0	0	0	110.2	E79 C87 H88 C90 F99 H301	Y77-E79 HydrophobicContact CD2-CG 4.27Å; Y77-E79 HydrophobicContact CE2-CG 4.29Å; Y77-C87 CarbonylContact O-C 3.06Å; Y77-C87 VanDerWaalsContact O-CA 3.22Å; Y77-C87 WeakPolarHBondContact O-CA 3.24Å; Y77-C87 WeakPolarHBondContact O-CB 3.42Å; Y77-H88 HydrophobicContact CD1-CB 4.36Å; Y77-H88 HydrophobicContact CE1-CB 3.75Å; Y77-H88 HydrophobicContact CE2-CB 4.06Å; Y77-H88 PolarHBondContact N-O 3.28Å; Y77-H88 PolarHBondContact O-N 2.87Å; Y77-C90 HydrophobicContact CD1-CB 3.73Å; Y77-C90 HydrophobicContact CE1-CB 3.88Å; Y77-F99 AromaticContact CE1-CE2 3.9Å; Y77-F99 HydrophobicContact CE1-CE2 3.9Å; Y77-F99 WeakPolarHBondContact OH-CZ 3.21Å; Y77-H301 AromaticContact CD2-CE1 3.57Å; Y77-H301 AromaticContact CD2-NE2 3.88Å
78	C	85.5	Confident	84.8	Confident	4 Å²	4	65.1 Å²	65.1	3%	0.027	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	147.1	175.9	-56.6	0	0	0	0	111.3	R85 S86 C87 G299 H301	C78-R85 HydrophobicContact CB-CG 4.21Å; C78-R85 PolarHBondContact SG-NH2 2.86Å; C78-R85 VanDerWaalsContact SG-NH2 3.44Å; C78-S86 CarbonylContact C-O 3.59Å; C78-S86 VanDerWaalsContact CA-O 3.27Å; C78-S86 WeakPolarHBondContact CA-O 3.27Å; C78-S86 WeakPolarHBondContact CB-O 3.19Å; C78-C87 HydrophobicContact CB-CB 4.04Å; C78-C87 WeakPolarHBondContact CB-SG 3.22Å; C78-C87 WeakPolarHBondContact SG-CB 3.34Å; C78-C87 CovalentContact SG-SG 2.04Å; C78-C87 PolarHBondContact SG-SG 3.11Å; C78-G299 PolarHBondContact N-O 2.76Å; C78-G299 VanDerWaalsContact N-O 3.11Å; C78-H301 PolarHBondContact O-CE1 2.99Å
79	E	82.4	Confident	84.6	Confident	20 Å²	20	67.1 Å²	67.1	9%	0.093	36%	0.356	C	S	.	.			trans	-124.5	161	175.8	-64.6	-177.5	115.5	0	0	108.6	Y77 R85 S86 R117 H150	Y77-E79 HydrophobicContact CD2-CG 4.27Å; Y77-E79 HydrophobicContact CE2-CG 4.29Å; E79-R85 WeakPolarHBondContact O-CA 3.37Å; E79-S86 PolarHBondContact N-O 2.86Å; E79-S86 PolarHBondContact O-N 2.92Å; E79-S86 VanDerWaalsContact O-O 3.14Å; E79-R117 VanDerWaalsContact CD-NH1 3.3Å; E79-R117 VanDerWaalsContact CD-NH2 3.3Å; E79-R117 IonicContact OE1-CZ 2.62Å; E79-R117 IonicContact OE1-NH1 3.99Å; E79-R117 PolarHBondContact OE1-NH1 2.87Å; E79-R117 IonicContact OE1-NH2 3.7Å; E79-R117 PolarHBondContact OE1-NH2 3.35Å; E79-R117 IonicContact OE2-CZ 3.25Å; E79-R117 IonicContact OE2-NH1 3.49Å; E79-R117 IonicContact OE2-NH2 2.69Å; E79-R117 PolarHBondContact OE2-NH2 2.84Å; E79-H150 HydrophobicContact CB-CB 4.48Å
80	Y	74.6	Confident	84.6	Confident	70 Å²	70	67 Å²	67	28%	0.275	36%	0.355	S	S	.	.			trans	-115.7	116.4	175.9	-71.9	-91.7	0	0	0	108.1	E84 R85 P251 L300	Y80-E84 WeakPolarHBondContact CA-O 3.4Å; Y80-R85 HydrophobicContact CD1-CB 4.05Å; Y80-R85 HydrophobicContact CD1-CG 4.27Å; Y80-R85 HydrophobicContact CE1-CB 3.84Å; Y80-R85 HydrophobicContact CE1-CG 3.86Å; Y80-R85 HydrophobicContact CE2-CG 4.48Å; Y80-P251 HydrophobicContact CD2-CG 4.05Å; Y80-P251 HydrophobicContact CE2-CG 3.9Å; Y80-L300 HydrophobicContact CD2-CD2 4.42Å; Y80-L300 HydrophobicContact CE2-CD2 4.08Å
81	Q	71.1	Confident	84.7	Confident	93 Å²	93	68.4 Å²	68.4	44%	0.435	36%	0.361	S	S	.	.	B	Isolated β-bridge	trans	-126.1	123.7	179.9	172.5	173.5	-1.5	0	0	107.9	H83 E84	Q81-H83 PolarHBondContact O-N 3.03Å; Q81-H83 VanDerWaalsContact O-N 3.07Å; Q81-E84 PolarHBondContact N-O 3.22Å; Q81-E84 WeakPolarHBondContact O-CA 3.1Å; Q81-E84 PolarHBondContact O-N 2.68Å; Q81-E84 VanDerWaalsContact O-O 3.12Å
82	D	68	Low	84.8	Confident	133 Å²	133	69.4 Å²	69.4	71%	0.711	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	39	172.1	-49.9	-39.3	0	0	0	113.5	E84	D82-E84 PolarHBondContact O-N 2.9Å
83	H	67.3	Low	84.9	Confident	126 Å²	126	70.9 Å²	70.9	58%	0.583	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	-12.3	-172.5	-55.8	-95.2	0	0	0	116.6	Q81 L259	Q81-H83 PolarHBondContact O-N 3.03Å; Q81-H83 VanDerWaalsContact O-N 3.07Å; H83-L259 WeakPolarHBondContact O-CD1 3.22Å
84	E	76.9	Confident	85.1	Confident	153 Å²	153	71.2 Å²	71.2	72%	0.715	36%	0.357	S	S	*	.	B	Isolated β-bridge	trans	-80.3	149.3	171.4	-166.1	171	-179.9	0	0	112	Y80 Q81 D82	Y80-E84 WeakPolarHBondContact CA-O 3.4Å; Q81-E84 PolarHBondContact N-O 3.22Å; Q81-E84 WeakPolarHBondContact O-CA 3.1Å; Q81-E84 PolarHBondContact O-N 2.68Å; Q81-E84 VanDerWaalsContact O-O 3.12Å; D82-E84 PolarHBondContact O-N 2.9Å
85	R	81.7	Confident	85.1	Confident	101 Å²	101	73.1 Å²	73.1	38%	0.381	36%	0.364	S	S	.	.			trans	-107	85.1	179.6	-174.8	-172.7	164.7	177.5	-5.5	111.1	C78 E79 Y80	C78-R85 HydrophobicContact CB-CG 4.21Å; C78-R85 PolarHBondContact SG-NH2 2.86Å; C78-R85 VanDerWaalsContact SG-NH2 3.44Å; E79-R85 WeakPolarHBondContact O-CA 3.37Å; Y80-R85 HydrophobicContact CD1-CB 4.05Å; Y80-R85 HydrophobicContact CD1-CG 4.27Å; Y80-R85 HydrophobicContact CE1-CB 3.84Å; Y80-R85 HydrophobicContact CE1-CG 3.86Å; Y80-R85 HydrophobicContact CE2-CG 4.48Å
86	S	85.1	Confident	85.2	Confident	41 Å²	41	79 Å²	79	29%	0.287	40%	0.396	S	S	.	.			trans	-66.5	144.4	168.8	-171.9	0	0	0	0	111	C78 E79 H88	C78-S86 CarbonylContact C-O 3.59Å; C78-S86 VanDerWaalsContact CA-O 3.27Å; C78-S86 WeakPolarHBondContact CA-O 3.27Å; C78-S86 WeakPolarHBondContact CB-O 3.19Å; E79-S86 PolarHBondContact N-O 2.86Å; E79-S86 PolarHBondContact O-N 2.92Å; E79-S86 VanDerWaalsContact O-O 3.14Å; S86-H88 PolarHBondContact OG-CE1 3.43Å; S86-H88 PolarHBondContact OG-NE2 2.92Å
87	C	88.6	Confident	85.3	Confident	32 Å²	32	76.7 Å²	76.7	22%	0.216	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	134.1	173.5	-60.9	0	0	0	0	110.9	R76 Y77 C78	R76-C87 HydrophobicContact CG-CB 4.31Å; Y77-C87 CarbonylContact O-C 3.06Å; Y77-C87 VanDerWaalsContact O-CA 3.22Å; Y77-C87 WeakPolarHBondContact O-CA 3.24Å; Y77-C87 WeakPolarHBondContact O-CB 3.42Å; C78-C87 HydrophobicContact CB-CB 4.04Å; C78-C87 WeakPolarHBondContact CB-SG 3.22Å; C78-C87 WeakPolarHBondContact SG-CB 3.34Å; C78-C87 CovalentContact SG-SG 2.04Å; C78-C87 PolarHBondContact SG-SG 3.11Å
88	H	90.5	Very high	85.6	Confident	87 Å²	87	76.8 Å²	76.8	40%	0.403	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	167.6	-175.1	-56.5	-68.6	0	0	0	110.9	R76 Y77 S86	R76-H88 WeakPolarHBondContact CA-O 3.43Å; Y77-H88 HydrophobicContact CD1-CB 4.36Å; Y77-H88 HydrophobicContact CE1-CB 3.75Å; Y77-H88 HydrophobicContact CE2-CB 4.06Å; Y77-H88 PolarHBondContact N-O 3.28Å; Y77-H88 PolarHBondContact O-N 2.87Å; S86-H88 PolarHBondContact OG-CE1 3.43Å; S86-H88 PolarHBondContact OG-NE2 2.92Å
89	T	92.1	Very high	86.1	Confident	58 Å²	58	78.2 Å²	78.2	36%	0.356	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	128.1	173.7	-49.9	0	0	0	0	109.6	A74 Q75	A74-T89 HydrophobicContact CB-CG2 3.99Å; Q75-T89 CarbonylContact O-C 3.45Å; Q75-T89 WeakPolarHBondContact O-CA 3.36Å
90	C	93.9	Very high	86.7	Confident	0 Å²	0	78.4 Å²	78.4	0%	0	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	133.6	164.6	174.5	0	0	0	0	109.4	C69 A74 Q75 Y77 R97 F99	C69-C90 HydrophobicContact CB-CB 3.64Å; C69-C90 WeakPolarHBondContact CB-SG 3.48Å; C69-C90 PolarHBondContact O-SG 3.23Å; C69-C90 VanDerWaalsContact O-SG 3.35Å; C69-C90 WeakPolarHBondContact SG-CB 3.27Å; C69-C90 CovalentContact SG-SG 2.03Å; C69-C90 PolarHBondContact SG-SG 3.22Å; A74-C90 WeakPolarHBondContact CA-O 3.36Å; Q75-C90 PolarHBondContact N-O 3.09Å; Q75-C90 PolarHBondContact O-N 2.7Å; Y77-C90 HydrophobicContact CD1-CB 3.73Å; Y77-C90 HydrophobicContact CE1-CB 3.88Å; C90-R97 WeakPolarHBondContact CA-O 3.32Å; C90-R97 PolarHBondContact SG-O 3.22Å; C90-F99 HydrophobicContact CB-CD2 4.21Å; C90-F99 HydrophobicContact CB-CE2 4.46Å
91	D	93.9	Very high	87.8	Confident	35 Å²	35	75.9 Å²	75.9	19%	0.187	39%	0.393	C	S	.	.			trans	-143.8	132.8	178.5	-166.8	-39.9	0	0	0	108.2	A74 T93 D94 R97 S98	A74-D91 HydrophobicContact CB-CB 4.39Å; A74-D91 WeakPolarHBondContact CB-OD2 3.4Å; D91-T93 VanDerWaalsContact C-N 3.27Å; D91-T93 VanDerWaalsContact CG-OG1 3.3Å; D91-T93 PolarHBondContact O-N 3.1Å; D91-T93 WeakPolarHBondContact OD1-CB 3.29Å; D91-T93 PolarHBondContact OD1-N 3.23Å; D91-T93 PolarHBondContact OD1-OG1 2.74Å; D91-D94 HydrophobicContact CB-CB 4.49Å; D91-R97 HydrophobicContact CB-CB 4.41Å; D91-R97 PolarHBondContact N-O 2.83Å; D91-R97 VanDerWaalsContact N-O 3.12Å; D91-R97 CarbonylContact O-C 3.57Å; D91-R97 VanDerWaalsContact O-C 3.27Å; D91-S98 VanDerWaalsContact O-CA 3.26Å; D91-S98 WeakPolarHBondContact O-CA 3.01Å; D91-S98 WeakPolarHBondContact O-CB 3.45Å; D91-S98 PolarHBondContact O-N 2.79Å
92	M	91.3	Very high	88.9	Confident	89 Å²	89	79.7 Å²	79.7	44%	0.438	40%	0.403	S	S	.	.	S	Bend	trans	-79.2	-12.1	-179.4	-164.7	167	-69.6	0	0	112.7	T68	T68-M92 HydrophobicContact CG2-CE 3.78Å
93	T	92.1	Very high	90.2	Very high	121 Å²	121	73.9 Å²	73.9	74%	0.742	37%	0.373	S	S	*	.	S	Bend	trans	-90.1	-24.8	179.1	68.1	0	0	0	0	113.8	D91 P95	D91-T93 VanDerWaalsContact C-N 3.27Å; D91-T93 VanDerWaalsContact CG-OG1 3.3Å; D91-T93 PolarHBondContact O-N 3.1Å; D91-T93 WeakPolarHBondContact OD1-CB 3.29Å; D91-T93 PolarHBondContact OD1-N 3.23Å; D91-T93 PolarHBondContact OD1-OG1 2.74Å; T93-P95 WeakPolarHBondContact O-CD 3.29Å
94	D	93.6	Very high	91.6	Very high	45 Å²	45	68 Å²	68	24%	0.241	35%	0.346	C	S	.	.	S	Bend	trans	-94.6	112	172.7	176.1	-1.4	0	0	0	109.7	D91 L96 R97 S98	D91-D94 HydrophobicContact CB-CB 4.49Å; D94-L96 PolarHBondContact O-N 2.88Å; D94-L96 VanDerWaalsContact O-N 3.09Å; D94-L96 WeakPolarHBondContact OD1-CB 3.44Å; D94-L96 PolarHBondContact OD1-N 2.75Å; D94-R97 HydrophobicContact CB-CB 4.13Å; D94-R97 HydrophobicContact CB-CG 4.4Å; D94-R97 CarbonylContact O-C 3.58Å; D94-R97 PolarHBondContact O-N 3.05Å; D94-R97 WeakPolarHBondContact OD2-CD 3.49Å; D94-R97 VanDerWaalsContact OD2-CG 3.25Å; D94-R97 WeakPolarHBondContact OD2-CG 3.28Å; D94-R97 IonicContact OD2-NE 3.67Å; D94-R97 PolarHBondContact OD2-NE 3.4Å; D94-S98 WeakPolarHBondContact O-CB 2.99Å; D94-S98 PolarHBondContact O-N 2.81Å
95	P	91.3	Very high	92.5	Very high	105 Å²	105	61 Å²	61	68%	0.682	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-29.8	179	-27.1	36.1	0	0	0	114.5	T93 R97 S98	T93-P95 WeakPolarHBondContact O-CD 3.29Å; P95-R97 VanDerWaalsContact C-N 3.32Å; P95-S98 PolarHBondContact O-OG 2.82Å
96	L	91.5	Very high	93.1	Very high	158 Å²	158	58.4 Å²	58.4	83%	0.827	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-13.4	179.6	-60.1	175	0	0	0	113.2	D94	D94-L96 PolarHBondContact O-N 2.88Å; D94-L96 VanDerWaalsContact O-N 3.09Å; D94-L96 WeakPolarHBondContact OD1-CB 3.44Å; D94-L96 PolarHBondContact OD1-N 2.75Å
97	R	92.6	Very high	93.4	Very high	122 Å²	122	62.7 Å²	62.7	46%	0.46	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.2	2.5	177.9	-60.6	176.6	-160.5	-132.7	-6.6	113.1	C90 D91 D94 P95 F99	C90-R97 WeakPolarHBondContact CA-O 3.32Å; C90-R97 PolarHBondContact SG-O 3.22Å; D91-R97 HydrophobicContact CB-CB 4.41Å; D91-R97 PolarHBondContact N-O 2.83Å; D91-R97 VanDerWaalsContact N-O 3.12Å; D91-R97 CarbonylContact O-C 3.57Å; D91-R97 VanDerWaalsContact O-C 3.27Å; D94-R97 HydrophobicContact CB-CB 4.13Å; D94-R97 HydrophobicContact CB-CG 4.4Å; D94-R97 CarbonylContact O-C 3.58Å; D94-R97 PolarHBondContact O-N 3.05Å; D94-R97 WeakPolarHBondContact OD2-CD 3.49Å; D94-R97 VanDerWaalsContact OD2-CG 3.25Å; D94-R97 WeakPolarHBondContact OD2-CG 3.28Å; D94-R97 IonicContact OD2-NE 3.67Å; D94-R97 PolarHBondContact OD2-NE 3.4Å; P95-R97 VanDerWaalsContact C-N 3.32Å; R97-F99 VanDerWaalsContact O-CD2 3.23Å; R97-F99 WeakPolarHBondContact O-CD2 3.11Å; R97-F99 VanDerWaalsContact O-CE2 3.29Å; R97-F99 WeakPolarHBondContact O-CE2 3.29Å
98	S	93.9	Very high	93.4	Very high	19 Å²	19	64.2 Å²	64.2	13%	0.133	33%	0.333	C	S	.	.			trans	-85.4	128.8	176.7	76.4	0	0	0	0	110.5	D91 D94 P95 P100	D91-S98 VanDerWaalsContact O-CA 3.26Å; D91-S98 WeakPolarHBondContact O-CA 3.01Å; D91-S98 WeakPolarHBondContact O-CB 3.45Å; D91-S98 PolarHBondContact O-N 2.79Å; D94-S98 WeakPolarHBondContact O-CB 2.99Å; D94-S98 PolarHBondContact O-N 2.81Å; P95-S98 PolarHBondContact O-OG 2.82Å; S98-P100 VanDerWaalsContact O-CD 3.25Å; S98-P100 WeakPolarHBondContact O-CD 3.34Å
99	F	95.7	Very high	93.3	Very high	34 Å²	34	63.6 Å²	63.6	15%	0.149	33%	0.332	C	S	.	.			trans	-119.9	61.1	176.8	-60.9	-84.9	0	0	0	111.2	T68 Y77 C90 R97 C115 W116 R117	T68-F99 WeakPolarHBondContact CG2-O 3.35Å; Y77-F99 AromaticContact CE1-CE2 3.9Å; Y77-F99 HydrophobicContact CE1-CE2 3.9Å; Y77-F99 WeakPolarHBondContact OH-CZ 3.21Å; C90-F99 HydrophobicContact CB-CD2 4.21Å; C90-F99 HydrophobicContact CB-CE2 4.46Å; R97-F99 VanDerWaalsContact O-CD2 3.23Å; R97-F99 WeakPolarHBondContact O-CD2 3.11Å; R97-F99 VanDerWaalsContact O-CE2 3.29Å; R97-F99 WeakPolarHBondContact O-CE2 3.29Å; F99-C115 WeakPolarHBondContact CA-O 3.49Å; F99-C115 WeakPolarHBondContact CB-O 3.45Å; F99-C115 HydrophobicContact CD1-CB 3.91Å; F99-C115 WeakPolarHBondContact CD1-O 3.46Å; F99-C115 HydrophobicContact CE1-CB 4.42Å; F99-W116 WeakPolarHBondContact O-CA 3.48Å; F99-R117 HydrophobicContact CB-CB 3.79Å; F99-R117 HydrophobicContact CB-CG 3.79Å; F99-R117 HydrophobicContact CD1-CG 3.99Å; F99-R117 HydrophobicContact CD2-CG 4.3Å; F99-R117 HydrophobicContact CG-CB 4.21Å; F99-R117 HydrophobicContact CG-CG 3.76Å; F99-R117 PolarHBondContact O-N 3Å
100	P	95.9	Very high	93.1	Very high	25 Å²	25	65.7 Å²	65.7	16%	0.162	35%	0.349	C	S	.	.			trans	-74	156.1	-170.8	31.9	-38	0	0	0	113.7	S98 R102 S103	S98-P100 VanDerWaalsContact O-CD 3.25Å; S98-P100 WeakPolarHBondContact O-CD 3.34Å; P100-R102 HydrophobicContact CB-CG 4.14Å; P100-R102 HydrophobicContact CG-CG 3.73Å; P100-R102 PolarHBondContact O-N 3.2Å; P100-S103 WeakPolarHBondContact O-CB 3.33Å; P100-S103 PolarHBondContact O-N 3.45Å
101	A	96.5	Very high	92.8	Very high	17 Å²	17	72.6 Å²	72.6	14%	0.14	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-8.9	-178	0	0	0	0	0	115.9	A65 L104	A65-A101 HydrophobicContact CB-CB 3.85Å; A101-L104 HydrophobicContact CB-CD1 4.23Å; A101-L104 WeakPolarHBondContact O-CB 3.37Å; A101-L104 WeakPolarHBondContact O-CD1 3.34Å; A101-L104 WeakPolarHBondContact O-CG 3.46Å
102	R	94.8	Very high	92.6	Very high	172 Å²	172	76.6 Å²	76.6	65%	0.649	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-27.2	167.3	65	176.1	-175.8	-139.4	-6.1	112.4	P100 L104 T105 D106	P100-R102 HydrophobicContact CB-CG 4.14Å; P100-R102 HydrophobicContact CG-CG 3.73Å; P100-R102 PolarHBondContact O-N 3.2Å; R102-L104 PolarHBondContact O-N 3.26Å; R102-T105 PolarHBondContact O-N 2.9Å; R102-D106 PolarHBondContact O-N 2.92Å
103	S	95.2	Very high	92.7	Very high	12 Å²	12	74.7 Å²	74.7	8%	0.084	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	33.8	177.7	-64.4	0	0	0	0	113	P100 D106 C115 W116	P100-S103 WeakPolarHBondContact O-CB 3.33Å; P100-S103 PolarHBondContact O-N 3.45Å; S103-D106 VanDerWaalsContact CA-OD1 3.29Å; S103-D106 WeakPolarHBondContact CA-OD1 3.37Å; S103-C115 WeakPolarHBondContact CB-O 3.33Å; S103-W116 PolarHBondContact O-N 3.32Å
104	L	97.1	Very high	92.8	Very high	1 Å²	1	71 Å²	71	1%	0.005	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115	-18.8	169.9	-67.9	171.9	0	0	0	110.9	V63 A101 R102 W116 L130 I304 F307	V63-L104 HydrophobicContact CB-CD1 3.95Å; V63-L104 HydrophobicContact CG1-CD1 3.71Å; V63-L104 HydrophobicContact CG2-CB 4.29Å; V63-L104 HydrophobicContact CG2-CD1 4.34Å; A101-L104 HydrophobicContact CB-CD1 4.23Å; A101-L104 WeakPolarHBondContact O-CB 3.37Å; A101-L104 WeakPolarHBondContact O-CD1 3.34Å; A101-L104 WeakPolarHBondContact O-CG 3.46Å; R102-L104 PolarHBondContact O-N 3.26Å; L104-W116 HydrophobicContact CD1-CB 4.21Å; L104-W116 HydrophobicContact CD1-CD2 4.37Å; L104-W116 HydrophobicContact CD1-CG 4.16Å; L104-W116 HydrophobicContact CD2-CB 3.69Å; L104-W116 HydrophobicContact CD2-CD2 4.33Å; L104-W116 HydrophobicContact CD2-CE3 4.1Å; L104-W116 HydrophobicContact CD2-CG 4.21Å; L104-W116 HydrophobicContact CG-CB 3.69Å; L104-W116 HydrophobicContact CG-CG 4.17Å; L104-L130 HydrophobicContact CD1-CD1 4Å; L104-L130 HydrophobicContact CD1-CD2 3.74Å; L104-L130 HydrophobicContact CD1-CG 4.42Å; L104-L130 HydrophobicContact CD2-CD1 4.28Å; L104-I304 HydrophobicContact CD2-CB 3.59Å; L104-I304 HydrophobicContact CD2-CG2 3.5Å; L104-I304 VanDerWaalsContact CD2-CG2 3.5Å; L104-F307 HydrophobicContact CB-CB 4.14Å; L104-F307 WeakPolarHBondContact O-CB 3.12Å; L104-F307 PolarHBondContact O-N 3.11Å
105	T	96.3	Very high	92.8	Very high	8 Å²	8	69.4 Å²	69.4	5%	0.049	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-139.1	7.5	-165.5	47.8	0	0	0	0	113.3	A58 D60 A61 V63 R102	A58-T105 HydrophobicContact CB-CG2 4.03Å; A58-T105 WeakPolarHBondContact O-CB 3.39Å; A58-T105 WeakPolarHBondContact O-CG2 3.36Å; D60-T105 PolarHBondContact N-O 2.99Å; A61-T105 WeakPolarHBondContact O-CB 3.28Å; A61-T105 PolarHBondContact O-OG1 2.89Å; V63-T105 HydrophobicContact CG2-CG2 3.59Å; R102-T105 PolarHBondContact O-N 2.9Å
106	D	94.3	Very high	93.1	Very high	46 Å²	46	64.4 Å²	64.4	25%	0.246	34%	0.338	C	S	.	.	S	Bend	trans	-79.6	-174.2	173.1	58.1	-26.5	0	0	0	112.5	R102 S103 N108 T114	R102-D106 PolarHBondContact O-N 2.92Å; S103-D106 VanDerWaalsContact CA-OD1 3.29Å; S103-D106 WeakPolarHBondContact CA-OD1 3.37Å; D106-N108 PolarHBondContact O-N 2.91Å; D106-T114 PolarHBondContact OD1-OG1 3.13Å; D106-T114 VanDerWaalsContact OD2-CB 3.3Å; D106-T114 WeakPolarHBondContact OD2-CB 3.41Å; D106-T114 WeakPolarHBondContact OD2-CG2 3.5Å; D106-T114 PolarHBondContact OD2-OG1 3.47Å
107	L	90.8	Very high	93.3	Very high	131 Å²	131	57.6 Å²	57.6	69%	0.686	30%	0.301	S	S	*	.			trans	-77.1	83.6	-179.6	-175.7	64.1	0	0	0	111.1	Y59 N109	Y59-L107 HydrophobicContact CE2-CB 4.48Å; Y59-L107 HydrophobicContact CE2-CD1 4.36Å; L107-N109 PolarHBondContact O-N 2.87Å; L107-N109 VanDerWaalsContact O-N 3.15Å
108	N	88.9	Confident	93.4	Very high	64 Å²	64	51.9 Å²	51.9	34%	0.342	28%	0.279	S	S	.	.			trans	-53.3	116.8	175.2	179.3	3.3	0	0	0	111.5	D106 D306	D106-N108 PolarHBondContact O-N 2.91Å; N108-D306 HydrophobicContact CB-CB 4.28Å; N108-D306 VanDerWaalsContact ND2-CB 3.32Å; N108-D306 WeakPolarHBondContact ND2-CB 3.43Å
109	N	88.5	Confident	93.3	Very high	74 Å²	74	53.4 Å²	53.4	40%	0.396	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-121.9	119.9	-179.9	177.9	-7.4	0	0	0	109.3	L107 N111 N112 V113	L107-N109 PolarHBondContact O-N 2.87Å; L107-N109 VanDerWaalsContact O-N 3.15Å; N109-N111 PolarHBondContact O-N 2.87Å; N109-N111 WeakPolarHBondContact OD1-CB 3.48Å; N109-N111 PolarHBondContact OD1-N 3.16Å; N109-N112 CarbonylContact O-C 3.5Å; N109-N112 PolarHBondContact O-N 3.17Å; N109-V113 WeakPolarHBondContact O-CG2 3.2Å; N109-V113 PolarHBondContact O-N 2.74Å
110	S	86.5	Confident	92.9	Very high	101 Å²	101	54 Å²	54	71%	0.706	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-24.5	-179.9	54.5	0	0	0	0	114.3
111	N	88.2	Confident	92.4	Very high	146 Å²	146	53.7 Å²	53.7	78%	0.781	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-11.1	-176.7	-56.2	-4.6	0	0	0	112.4	N109	N109-N111 PolarHBondContact O-N 2.87Å; N109-N111 WeakPolarHBondContact OD1-CB 3.48Å; N109-N111 PolarHBondContact OD1-N 3.16Å
112	N	90.7	Very high	91.2	Very high	118 Å²	118	58.2 Å²	58.2	63%	0.631	32%	0.316	S	S	*	.	B	Isolated β-bridge	trans	-152.9	76.3	177.6	-174.6	24.8	0	0	0	108.8	N109 T114	N109-N112 CarbonylContact O-C 3.5Å; N109-N112 PolarHBondContact O-N 3.17Å; N112-T114 PolarHBondContact O-N 3.21Å
113	V	91.5	Very high	89.5	Confident	50 Å²	50	51.8 Å²	51.8	30%	0.303	30%	0.303	S	S	.	.			trans	-76.7	111.1	-171.2	-179.9	0	0	0	0	110.1	N109 S305	N109-V113 WeakPolarHBondContact O-CG2 3.2Å; N109-V113 PolarHBondContact O-N 2.74Å; V113-S305 VanDerWaalsContact CG1-CB 3.42Å
114	T	94.6	Very high	87.5	Confident	42 Å²	42	56.9 Å²	56.9	26%	0.258	34%	0.338	S	S	.	.			trans	-73.6	156.6	167.8	47.6	0	0	0	0	110.7	D106 N112 S305	D106-T114 PolarHBondContact OD1-OG1 3.13Å; D106-T114 VanDerWaalsContact OD2-CB 3.3Å; D106-T114 WeakPolarHBondContact OD2-CB 3.41Å; D106-T114 WeakPolarHBondContact OD2-CG2 3.5Å; D106-T114 PolarHBondContact OD2-OG1 3.47Å; N112-T114 PolarHBondContact O-N 3.21Å; T114-S305 WeakPolarHBondContact O-CA 3.5Å; T114-S305 WeakPolarHBondContact O-CB 3.06Å
115	C	95.1	Very high	85.7	Confident	12 Å²	12	59.5 Å²	59.5	8%	0.081	37%	0.366	C	S	.	.			trans	-147.5	139.1	-173.3	-83.7	0	0	0	0	111.7	F99 S103 C148	F99-C115 WeakPolarHBondContact CA-O 3.49Å; F99-C115 WeakPolarHBondContact CB-O 3.45Å; F99-C115 HydrophobicContact CD1-CB 3.91Å; F99-C115 WeakPolarHBondContact CD1-O 3.46Å; F99-C115 HydrophobicContact CE1-CB 4.42Å; S103-C115 WeakPolarHBondContact CB-O 3.33Å; C115-C148 HydrophobicContact CB-CB 4.37Å; C115-C148 WeakPolarHBondContact CB-SG 3.33Å; C115-C148 WeakPolarHBondContact SG-CB 3.48Å; C115-C148 CovalentContact SG-SG 2.03Å; C115-C148 PolarHBondContact SG-SG 3.03Å
116	W	96.9	Very high	84.3	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	144.6	154.1	163.8	79.7	0	0	0	110	A65 S67 T68 F99 S103 L104 V128 L130 F245 A303 I304	A65-W116 HydrophobicContact CB-CZ2 4.12Å; S67-W116 WeakPolarHBondContact O-CZ2 3.35Å; S67-W116 PolarHBondContact O-NE1 3.5Å; T68-W116 PolarHBondContact OG1-NE1 3.07Å; F99-W116 WeakPolarHBondContact O-CA 3.48Å; S103-W116 PolarHBondContact O-N 3.32Å; L104-W116 HydrophobicContact CD1-CB 4.21Å; L104-W116 HydrophobicContact CD1-CD2 4.37Å; L104-W116 HydrophobicContact CD1-CG 4.16Å; L104-W116 HydrophobicContact CD2-CB 3.69Å; L104-W116 HydrophobicContact CD2-CD2 4.33Å; L104-W116 HydrophobicContact CD2-CE3 4.1Å; L104-W116 HydrophobicContact CD2-CG 4.21Å; L104-W116 HydrophobicContact CG-CB 3.69Å; L104-W116 HydrophobicContact CG-CG 4.17Å; W116-V128 HydrophobicContact CH2-CG1 3.73Å; W116-V128 HydrophobicContact CZ2-CG1 3.96Å; W116-L130 HydrophobicContact CD2-CD2 4.19Å; W116-L130 HydrophobicContact CE3-CD1 4.35Å; W116-L130 HydrophobicContact CE3-CD2 4.27Å; W116-L130 HydrophobicContact CH2-CD1 4.47Å; W116-L130 HydrophobicContact CH2-CD2 3.83Å; W116-L130 HydrophobicContact CH2-CG 4.32Å; W116-L130 HydrophobicContact CZ2-CD2 3.75Å; W116-L130 HydrophobicContact CZ3-CD1 4.08Å; W116-L130 HydrophobicContact CZ3-CD2 4.1Å; W116-L130 HydrophobicContact CZ3-CG 4.42Å; W116-F245 HydrophobicContact CH2-CE2 4.31Å; W116-F245 HydrophobicContact CZ3-CE2 4.23Å; W116-A303 VanDerWaalsContact O-CA 3.28Å; W116-A303 WeakPolarHBondContact O-CA 3.47Å; W116-I304 HydrophobicContact CE3-CB 4Å; W116-I304 HydrophobicContact CE3-CG1 3.9Å; W116-I304 HydrophobicContact CZ3-CB 4.43Å; W116-I304 HydrophobicContact CZ3-CG1 3.82Å; W116-I304 PolarHBondContact N-O 3.32Å; W116-I304 PolarHBondContact O-N 3.16Å
117	R	95.2	Very high	84.1	Confident	16 Å²	16	65.4 Å²	65.4	6%	0.06	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	135.3	174.7	-62.9	-176.5	-176	-86.2	10.7	110.8	T68 C69 E79 F99 H301 Y302 A303	T68-R117 CarbonylContact C-O 3.6Å; T68-R117 WeakPolarHBondContact CA-O 3.45Å; C69-R117 PolarHBondContact N-O 3.03Å; E79-R117 VanDerWaalsContact CD-NH1 3.3Å; E79-R117 VanDerWaalsContact CD-NH2 3.3Å; E79-R117 IonicContact OE1-CZ 2.62Å; E79-R117 IonicContact OE1-NH1 3.99Å; E79-R117 PolarHBondContact OE1-NH1 2.87Å; E79-R117 IonicContact OE1-NH2 3.7Å; E79-R117 PolarHBondContact OE1-NH2 3.35Å; E79-R117 IonicContact OE2-CZ 3.25Å; E79-R117 IonicContact OE2-NH1 3.49Å; E79-R117 IonicContact OE2-NH2 2.69Å; E79-R117 PolarHBondContact OE2-NH2 2.84Å; F99-R117 HydrophobicContact CB-CB 3.79Å; F99-R117 HydrophobicContact CB-CG 3.79Å; F99-R117 HydrophobicContact CD1-CG 3.99Å; F99-R117 HydrophobicContact CD2-CG 4.3Å; F99-R117 HydrophobicContact CG-CB 4.21Å; F99-R117 HydrophobicContact CG-CG 3.76Å; F99-R117 PolarHBondContact O-N 3Å; R117-H301 PolarHBondContact NH1-NE2 2.85Å; R117-Y302 CarbonylContact C-O 3.59Å; R117-Y302 WeakPolarHBondContact CA-O 3.18Å; R117-A303 HydrophobicContact CG-CB 3.89Å
118	S	94.5	Very high	84.3	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.007	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-71.9	166.6	169.6	78.1	0	0	0	0	111.6	C69 Y302	C69-S118 WeakPolarHBondContact CB-O 3.49Å; S118-Y302 PolarHBondContact N-O 2.79Å; S118-Y302 PolarHBondContact OG-N 2.95Å
119	E	91.4	Very high	84.6	Confident	51 Å²	51	57.9 Å²	57.9	24%	0.238	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-63.4	159	162.3	-58.3	170.6	112	0	0	110.1	S67 T68 S72 Q75	S67-E119 VanDerWaalsContact OG-CB 3.27Å; S67-E119 WeakPolarHBondContact OG-CB 3.22Å; S67-E119 WeakPolarHBondContact OG-CG 3.39Å; S67-E119 PolarHBondContact OG-N 3.13Å; S67-E119 VanDerWaalsContact OG-N 3.08Å; S67-E119 PolarHBondContact OG-OE2 2.89Å; T68-E119 WeakPolarHBondContact O-CG 3.44Å; S72-E119 PolarHBondContact OG-OE1 3.27Å; Q75-E119 PolarHBondContact NE2-OE1 2.85Å
120	P	88	Confident	85.1	Confident	46 Å²	46	54.3 Å²	54.3	30%	0.299	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-60.9	135	178.5	-24.1	35.2	0	0	0	113.1	R76	R76-P120 WeakPolarHBondContact O-CG 3.44Å
121	V	85.4	Confident	85.7	Confident	20 Å²	20	50.6 Å²	50.6	12%	0.121	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-93.9	121	-171.5	-177.1	0	0	0	0	110.8	G123 L248 L300 Y302	V121-G123 PolarHBondContact O-N 2.96Å; V121-G123 VanDerWaalsContact O-N 3.13Å; V121-L248 HydrophobicContact CG2-CD1 4.39Å; V121-L300 PolarHBondContact N-O 2.9Å; V121-Y302 HydrophobicContact CG2-CD2 3.97Å; V121-Y302 HydrophobicContact CG2-CE2 3.71Å
122	T	72.1	Confident	86.1	Confident	112 Å²	112	43.6 Å²	43.6	69%	0.687	28%	0.276	S	S	*	.			trans	-70.8	-6.8	-170.9	61	0	0	0	0	115.6	D126	T122-D126 PolarHBondContact OG1-OD2 3.18Å
123	G	58.9	Low	86.4	Confident	37 Å²	37	41.3 Å²	41.3	38%	0.381	27%	0.269	S	S	.	.	S	Bend	trans	119.6	-24.6	162.4	0	0	0	0	0	116.6	V121	V121-G123 PolarHBondContact O-N 2.96Å; V121-G123 VanDerWaalsContact O-N 3.13Å
124	S	53.3	Low	86.6	Confident	118 Å²	118	39.6 Å²	39.6	83%	0.825	26%	0.258	S	S	*	.	S	Bend	trans	-166.2	97.1	173	55.6	0	0	0	0	113.8
125	G	57.6	Low	86.6	Confident	57 Å²	57	39.6 Å²	39.6	59%	0.588	27%	0.266	S	S	*	.	S	Bend	trans	159.8	-44.4	169.3	0	0	0	0	0	113.6	N127	G125-N127 PolarHBondContact O-N 3.02Å
126	D	68	Low	86.6	Confident	93 Å²	93	39 Å²	39	50%	0.497	26%	0.262	S	S	.	.			trans	-79.8	102.4	-168.9	-55.4	-47.9	0	0	0	112.5	T122 V128	T122-D126 PolarHBondContact OG1-OD2 3.18Å; D126-V128 PolarHBondContact O-N 3.41Å
127	N	89.5	Confident	86.6	Confident	84 Å²	84	42.1 Å²	42.1	45%	0.449	28%	0.276	S	S	.	.			trans	-78.2	105.3	174.5	-62.6	-42.5	0	0	0	110	G125 V244 F245 H246	G125-N127 PolarHBondContact O-N 3.02Å; N127-V244 HydrophobicContact CB-CG1 4.09Å; N127-F245 WeakPolarHBondContact CA-O 3.36Å; N127-H246 PolarHBondContact OD1-ND1 2.61Å
128	V	94.7	Very high	86.8	Confident	7 Å²	7	42 Å²	42	4%	0.042	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	132.8	174.6	-178.3	0	0	0	0	109.3	W116 D126 F245 Y302	W116-V128 HydrophobicContact CH2-CG1 3.73Å; W116-V128 HydrophobicContact CZ2-CG1 3.96Å; D126-V128 PolarHBondContact O-N 3.41Å; V128-F245 HydrophobicContact CB-CD2 4.34Å; V128-F245 HydrophobicContact CG1-CD2 4.4Å; V128-F245 PolarHBondContact N-O 3.01Å; V128-F245 WeakPolarHBondContact O-CD2 3.41Å; V128-F245 PolarHBondContact O-N 3.29Å; V128-Y302 HydrophobicContact CB-CD2 3.79Å; V128-Y302 HydrophobicContact CB-CE2 3.93Å; V128-Y302 HydrophobicContact CG1-CD2 4.31Å; V128-Y302 HydrophobicContact CG2-CD2 3.75Å; V128-Y302 HydrophobicContact CG2-CE2 3.77Å
129	T	97	Very high	86.9	Confident	30 Å²	30	43.1 Å²	43.1	18%	0.184	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	145.1	-175.3	70.5	0	0	0	0	112.3	A65 S66 V243 V244	A65-T129 CarbonylContact C-O 3.48Å; A65-T129 WeakPolarHBondContact CA-O 3.29Å; S66-T129 VanDerWaalsContact CB-OG1 3.26Å; S66-T129 WeakPolarHBondContact CB-OG1 3.37Å; S66-T129 PolarHBondContact N-O 3.3Å; S66-T129 PolarHBondContact OG-N 3.15Å; S66-T129 PolarHBondContact OG-OG1 3.3Å; T129-V243 VanDerWaalsContact CA-O 3.24Å; T129-V243 WeakPolarHBondContact CA-O 3.41Å; T129-V244 HydrophobicContact CG2-CB 4.36Å; T129-V244 HydrophobicContact CG2-CG1 4.14Å; T129-V244 HydrophobicContact CG2-CG2 3.94Å
130	L	98.1	Very high	87.2	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	120.5	170.1	-59.4	176.6	0	0	0	107.5	V63 A65 L104 W116 R242 V243 F245 F307	V63-L130 HydrophobicContact CG1-CB 3.98Å; V63-L130 HydrophobicContact CG1-CD2 4.33Å; A65-L130 HydrophobicContact CB-CD2 3.57Å; L104-L130 HydrophobicContact CD1-CD1 4Å; L104-L130 HydrophobicContact CD1-CD2 3.74Å; L104-L130 HydrophobicContact CD1-CG 4.42Å; L104-L130 HydrophobicContact CD2-CD1 4.28Å; W116-L130 HydrophobicContact CD2-CD2 4.19Å; W116-L130 HydrophobicContact CE3-CD1 4.35Å; W116-L130 HydrophobicContact CE3-CD2 4.27Å; W116-L130 HydrophobicContact CH2-CD1 4.47Å; W116-L130 HydrophobicContact CH2-CD2 3.83Å; W116-L130 HydrophobicContact CH2-CG 4.32Å; W116-L130 HydrophobicContact CZ2-CD2 3.75Å; W116-L130 HydrophobicContact CZ3-CD1 4.08Å; W116-L130 HydrophobicContact CZ3-CD2 4.1Å; W116-L130 HydrophobicContact CZ3-CG 4.42Å; L130-R242 CarbonylContact O-C 3.52Å; L130-R242 VanDerWaalsContact O-CA 3.27Å; L130-R242 WeakPolarHBondContact O-CA 3.3Å; L130-V243 HydrophobicContact CB-CB 4.29Å; L130-V243 PolarHBondContact N-O 3.4Å; L130-V243 PolarHBondContact O-N 2.91Å; L130-F245 HydrophobicContact CD1-CE2 3.88Å; L130-F245 HydrophobicContact CD1-CZ 4.15Å; L130-F245 HydrophobicContact CG-CE2 4.08Å; L130-F307 HydrophobicContact CB-CE1 4.19Å
131	T	98.4	Very high	87.6	Confident	22 Å²	22	41.4 Å²	41.4	14%	0.135	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	124	178	-54.4	0	0	0	0	110.4	V64 W169 R242	V64-T131 PolarHBondContact N-O 2.03Å; V64-T131 PolarHBondContact O-N 3.19Å; T131-W169 HydrophobicContact CG2-CH2 3.84Å; T131-W169 HydrophobicContact CG2-CZ2 4.08Å; T131-R242 HydrophobicContact CG2-CB 4.5Å; T131-R242 PolarHBondContact OG1-NE 2.99Å
132	L	97.9	Very high	88.2	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	127.9	179.1	167.5	65.6	0	0	0	109.4	A58 A61 V63 L134 D240 I241 F307 V309	A58-L132 HydrophobicContact CB-CD2 3.49Å; A58-L132 VanDerWaalsContact CB-CD2 3.49Å; A61-L132 HydrophobicContact CB-CD1 3.54Å; V63-L132 HydrophobicContact CG2-CB 4.4Å; V63-L132 HydrophobicContact CG2-CD1 4.24Å; L132-L134 HydrophobicContact CD1-CD2 4.4Å; L132-L134 HydrophobicContact CD2-CD2 3.85Å; L132-L134 HydrophobicContact CG-CD2 3.89Å; L132-D240 CarbonylContact O-C 3.57Å; L132-D240 VanDerWaalsContact O-CA 3.24Å; L132-D240 WeakPolarHBondContact O-CA 3.31Å; L132-D240 WeakPolarHBondContact O-CB 3.19Å; L132-I241 PolarHBondContact N-O 2.9Å; L132-I241 PolarHBondContact O-N 3.17Å; L132-F307 HydrophobicContact CB-CE1 3.85Å; L132-F307 HydrophobicContact CB-CZ 4Å; L132-F307 HydrophobicContact CD2-CE1 4.35Å; L132-F307 HydrophobicContact CD2-CE2 4.44Å; L132-F307 HydrophobicContact CD2-CZ 4.14Å; L132-V309 HydrophobicContact CD2-CB 4.37Å; L132-V309 HydrophobicContact CD2-CG2 3.74Å
133	S	97.2	Very high	89.4	Confident	69 Å²	69	38.2 Å²	38.2	48%	0.483	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	120.4	177.6	-75.8	0	0	0	0	111	G135 D240	S133-G135 VanDerWaalsContact C-N 3.34Å; S133-G135 PolarHBondContact O-N 2.9Å; S133-D240 WeakPolarHBondContact CA-OD1 3.37Å; S133-D240 WeakPolarHBondContact CB-OD1 3.47Å; S133-D240 PolarHBondContact OG-OD1 2.87Å
134	L	95.6	Very high	91.2	Very high	15 Å²	15	37 Å²	37	8%	0.079	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	-0.9	-173.2	-49.2	176.2	0	0	0	113.6	A57 L132 K136 F138 L140 T239	A57-L134 HydrophobicContact CB-CD2 4.09Å; A57-L134 WeakPolarHBondContact O-CD2 3.35Å; L132-L134 HydrophobicContact CD1-CD2 4.4Å; L132-L134 HydrophobicContact CD2-CD2 3.85Å; L132-L134 HydrophobicContact CG-CD2 3.89Å; L134-K136 PolarHBondContact O-N 2.89Å; L134-F138 HydrophobicContact CB-CD2 3.76Å; L134-F138 HydrophobicContact CB-CE2 3.91Å; L134-F138 HydrophobicContact CD1-CB 4.14Å; L134-F138 HydrophobicContact CD1-CD2 3.89Å; L134-F138 HydrophobicContact CD1-CG 4.23Å; L134-F138 HydrophobicContact CG-CD2 4.44Å; L134-L140 HydrophobicContact CD1-CD2 4.32Å; L134-T239 VanDerWaalsContact CB-O 3.28Å; L134-T239 WeakPolarHBondContact CB-O 3.35Å; L134-T239 PolarHBondContact N-O 3.18Å
135	G	92.7	Very high	93.2	Very high	42 Å²	42	31.5 Å²	31.5	43%	0.433	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	67.8	-22.7	179.5	0	0	0	0	0	116.6	S133 H165 R341	S133-G135 VanDerWaalsContact C-N 3.34Å; S133-G135 PolarHBondContact O-N 2.9Å; G135-H165 PolarHBondContact O-CE1 3.45Å; G135-R341 PolarHBondContact O-NH1 2.98Å; G135-R341 PolarHBondContact O-NH2 2.96Å
136	K	95.5	Very high	94.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	166.2	178.4	179.3	170.4	149.7	66	0	109.5	L134 F138 C313 K314 L330 C332 R341 D342	L134-K136 PolarHBondContact O-N 2.89Å; K136-F138 HydrophobicContact CB-CE2 4.39Å; K136-F138 WeakPolarHBondContact O-CD2 3.47Å; K136-C313 WeakPolarHBondContact CE-SG 3.37Å; K136-K314 PolarHBondContact NZ-O 3.43Å; K136-L330 HydrophobicContact CB-CB 4.36Å; K136-L330 HydrophobicContact CB-CD2 4.31Å; K136-L330 HydrophobicContact CD-CD2 4.49Å; K136-L330 HydrophobicContact CD-CG 4.25Å; K136-L330 VanDerWaalsContact CD-O 3.25Å; K136-L330 WeakPolarHBondContact CD-O 3.3Å; K136-C332 WeakPolarHBondContact CE-SG 3.14Å; K136-C332 PolarHBondContact NZ-SG 3.16Å; K136-R341 PolarHBondContact NZ-O 3.24Å; K136-D342 IonicContact NZ-OD1 3.59Å; K136-D342 PolarHBondContact NZ-OD1 2.93Å
137	K	97.9	Very high	96.1	Very high	64 Å²	64	26.9 Å²	26.9	28%	0.278	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	129.7	167.1	-67.4	177.8	-154.9	144	0	111.4	T237 A238 T239 K314 D342	K137-T237 HydrophobicContact CB-CG2 4.16Å; K137-T237 HydrophobicContact CD-CG2 3.92Å; K137-T237 HydrophobicContact CG-CG2 4.09Å; K137-A238 CarbonylContact C-O 3.59Å; K137-A238 WeakPolarHBondContact CA-O 3.44Å; K137-T239 HydrophobicContact CB-CG2 4.41Å; K137-T239 HydrophobicContact CG-CG2 3.5Å; K137-K314 HydrophobicContact CB-CB 3.96Å; K137-K314 HydrophobicContact CB-CD 4.25Å; K137-K314 WeakPolarHBondContact O-CB 3.38Å; K137-K314 PolarHBondContact O-N 3.44Å; K137-D342 WeakPolarHBondContact CD-OD2 3.49Å; K137-D342 WeakPolarHBondContact CE-OD2 3.04Å; K137-D342 IonicContact NZ-OD2 2.63Å; K137-D342 PolarHBondContact NZ-OD2 2.95Å
138	F	98.2	Very high	96.2	Very high	13 Å²	13	23.1 Å²	23.1	6%	0.057	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	152.6	166.8	-75.9	-104.7	0	0	0	110	V55 A57 L134 K136 L140 T237 A238 R312 C313 L330	V55-F138 HydrophobicContact CG2-CE1 3.97Å; A57-F138 HydrophobicContact CB-CD1 3.78Å; A57-F138 HydrophobicContact CB-CD2 4.46Å; A57-F138 HydrophobicContact CB-CE1 3.68Å; A57-F138 HydrophobicContact CB-CE2 4.38Å; A57-F138 HydrophobicContact CB-CG 4.19Å; A57-F138 HydrophobicContact CB-CZ 4Å; L134-F138 HydrophobicContact CB-CD2 3.76Å; L134-F138 HydrophobicContact CB-CE2 3.91Å; L134-F138 HydrophobicContact CD1-CB 4.14Å; L134-F138 HydrophobicContact CD1-CD2 3.89Å; L134-F138 HydrophobicContact CD1-CG 4.23Å; L134-F138 HydrophobicContact CG-CD2 4.44Å; K136-F138 HydrophobicContact CB-CE2 4.39Å; K136-F138 WeakPolarHBondContact O-CD2 3.47Å; F138-L140 HydrophobicContact CB-CD2 3.67Å; F138-L140 HydrophobicContact CB-CG 4.36Å; F138-T237 WeakPolarHBondContact O-CA 3.21Å; F138-A238 PolarHBondContact N-O 2.74Å; F138-A238 PolarHBondContact O-N 3.05Å; F138-R312 CarbonylContact C-O 3.55Å; F138-R312 VanDerWaalsContact CA-O 3.32Å; F138-R312 WeakPolarHBondContact CA-O 3.04Å; F138-R312 WeakPolarHBondContact CD1-O 3.09Å; F138-C313 HydrophobicContact CD1-CB 4.41Å; F138-C313 HydrophobicContact CE1-CB 4.02Å; F138-C313 HydrophobicContact CZ-CB 4.45Å; F138-L330 HydrophobicContact CE2-CD2 4.19Å; F138-L330 HydrophobicContact CZ-CD2 3.89Å
139	E	97.5	Very high	95.9	Very high	25 Å²	25	26.1 Å²	26.1	12%	0.117	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	103.7	166.3	-64.5	-174.2	156	0	0	106.9	V236 G311 R312 K314 R357	E139-V236 HydrophobicContact CB-CG2 3.85Å; E139-V236 HydrophobicContact CG-CG2 4.12Å; E139-G311 VanDerWaalsContact O-CA 3.24Å; E139-G311 WeakPolarHBondContact O-CA 3.38Å; E139-R312 PolarHBondContact N-O 3.08Å; E139-R312 PolarHBondContact O-N 2.03Å; E139-K314 HydrophobicContact CG-CB 3.94Å; E139-K314 HydrophobicContact CG-CD 3.81Å; E139-K314 HydrophobicContact CG-CG 3.8Å; E139-K314 WeakPolarHBondContact OE1-CD 3.14Å; E139-K314 WeakPolarHBondContact OE1-CE 3.25Å; E139-K314 WeakPolarHBondContact OE1-CG 3.39Å; E139-K314 IonicContact OE1-NZ 3.07Å; E139-K314 PolarHBondContact OE1-NZ 2.81Å; E139-R357 IonicContact OE1-CZ 3.62Å; E139-R357 IonicContact OE1-NH1 2.96Å; E139-R357 PolarHBondContact OE1-NH1 3.28Å; E139-R357 IonicContact OE1-NH2 3.6Å; E139-R357 PolarHBondContact OE1-NH2 2.61Å; E139-R357 IonicContact OE2-CZ 3.03Å; E139-R357 IonicContact OE2-NH1 3.32Å; E139-R357 PolarHBondContact OE2-NH1 3.24Å; E139-R357 IonicContact OE2-NH2 2.68Å; E139-R357 PolarHBondContact OE2-NH2 2.74Å
140	L	97.7	Very high	95.2	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	132.8	-169.1	-61.6	-174.6	0	0	0	112	L134 F138 F172 T216 V236 A238 I241 V309	L134-L140 HydrophobicContact CD1-CD2 4.32Å; F138-L140 HydrophobicContact CB-CD2 3.67Å; F138-L140 HydrophobicContact CB-CG 4.36Å; L140-F172 HydrophobicContact CD1-CE1 4.17Å; L140-T216 HydrophobicContact CB-CG2 4.21Å; L140-T216 WeakPolarHBondContact O-CB 3.3Å; L140-T216 VanDerWaalsContact O-CG2 3.31Å; L140-T216 WeakPolarHBondContact O-CG2 3.29Å; L140-T216 PolarHBondContact O-OG1 3.48Å; L140-V236 PolarHBondContact N-O 2.91Å; L140-V236 WeakPolarHBondContact O-CB 3.49Å; L140-A238 HydrophobicContact CD1-CB 3.68Å; L140-A238 HydrophobicContact CG-CB 4.33Å; L140-I241 HydrophobicContact CD1-CD1 3.72Å; L140-I241 HydrophobicContact CD1-CG1 4.08Å; L140-V309 HydrophobicContact CD1-CG1 3.82Å; L140-V309 HydrophobicContact CD2-CG1 3.52Å; L140-V309 HydrophobicContact CG-CG1 4.3Å
141	T	97	Very high	94.7	Very high	60 Å²	60	30 Å²	30	37%	0.368	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-37.5	174.6	-55.7	0	0	0	0	111.1	T216 G310	T141-T216 PolarHBondContact O-N 3.25Å; T141-T216 PolarHBondContact O-OG1 2.74Å; T141-G310 PolarHBondContact N-O 3.49Å
142	Y	97.3	Very high	94	Very high	64 Å²	64	30 Å²	30	25%	0.251	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	157.2	175.7	62.3	-108.1	0	0	0	114.1	F54 I144 F214 G310	F54-Y142 AromaticContact CE1-CE1 3.93Å; F54-Y142 HydrophobicContact CE1-CE1 3.93Å; F54-Y142 HydrophobicContact CZ-CD1 4.19Å; F54-Y142 AromaticContact CZ-CE1 3.6Å; F54-Y142 HydrophobicContact CZ-CE1 3.6Å; Y142-I144 HydrophobicContact CD1-CD1 4.48Å; Y142-I144 HydrophobicContact CD2-CB 4.23Å; Y142-I144 HydrophobicContact CD2-CD1 3.47Å; Y142-I144 VanDerWaalsContact CD2-CD1 3.47Å; Y142-I144 HydrophobicContact CD2-CG1 3.58Å; Y142-I144 HydrophobicContact CE2-CD1 3.73Å; Y142-I144 HydrophobicContact CE2-CG1 4.16Å; Y142-I144 HydrophobicContact CG-CD1 3.89Å; Y142-I144 HydrophobicContact CG-CG1 4.17Å; Y142-F214 CarbonylContact C-O 3.14Å; Y142-F214 WeakPolarHBondContact CA-O 3.42Å; Y142-F214 WeakPolarHBondContact CB-O 3.41Å; Y142-G310 VanDerWaalsContact CE2-CA 3.49Å; Y142-G310 VanDerWaalsContact CE2-N 3.28Å; Y142-G310 PolarHBondContact N-O 2.03Å; Y142-G310 VanDerWaalsContact N-O 3.13Å; Y142-G310 PolarHBondContact O-N 2.99Å
143	V	97.5	Very high	93.4	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	129.8	159.1	179	0	0	0	0	107.3	I159 F214 I241 F307 V309	V143-I159 HydrophobicContact CB-CD1 4.22Å; V143-I159 HydrophobicContact CG1-CD1 3.99Å; V143-I159 HydrophobicContact CG1-CG2 4.44Å; V143-F214 HydrophobicContact CB-CD1 4.3Å; V143-F214 HydrophobicContact CG2-CD1 4.43Å; V143-F214 PolarHBondContact N-O 3.23Å; V143-F214 PolarHBondContact O-N 2.86Å; V143-I241 HydrophobicContact CG1-CG2 4.31Å; V143-I241 HydrophobicContact CG2-CD1 4.25Å; V143-I241 HydrophobicContact CG2-CG1 4.41Å; V143-I241 HydrophobicContact CG2-CG2 4.46Å; V143-F307 HydrophobicContact CG1-CD2 4.5Å; V143-F307 HydrophobicContact CG1-CE2 3.93Å; V143-V309 HydrophobicContact CG1-CG2 4.27Å; V143-V309 HydrophobicContact CG2-CG2 4.35Å
144	I	95.8	Very high	93.1	Very high	13 Å²	13	30 Å²	30	7%	0.067	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	140.4	-174.6	-70.5	178.5	0	0	0	109.1	Y142 R211 I212 A213 F307 S308	Y142-I144 HydrophobicContact CD1-CD1 4.48Å; Y142-I144 HydrophobicContact CD2-CB 4.23Å; Y142-I144 HydrophobicContact CD2-CD1 3.47Å; Y142-I144 VanDerWaalsContact CD2-CD1 3.47Å; Y142-I144 HydrophobicContact CD2-CG1 3.58Å; Y142-I144 HydrophobicContact CE2-CD1 3.73Å; Y142-I144 HydrophobicContact CE2-CG1 4.16Å; Y142-I144 HydrophobicContact CG-CD1 3.89Å; Y142-I144 HydrophobicContact CG-CG1 4.17Å; I144-R211 HydrophobicContact CG2-CG 3.97Å; I144-I212 WeakPolarHBondContact CA-O 3.46Å; I144-A213 HydrophobicContact CD1-CB 4.38Å; I144-A213 HydrophobicContact CG1-CB 3.93Å; I144-F307 CarbonylContact O-C 3.48Å; I144-F307 WeakPolarHBondContact O-CA 3.38Å; I144-S308 PolarHBondContact N-O 3.41Å; I144-S308 PolarHBondContact O-N 3.47Å
145	L	95.4	Very high	92.8	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	124.9	169.5	-58.7	171.7	0	0	0	108.7	M157 I212 V243 F245 I304 D306 F307	L145-M157 HydrophobicContact CD1-CE 3.74Å; L145-M157 HydrophobicContact CD1-SD 4.47Å; L145-I212 HydrophobicContact CB-CB 4.43Å; L145-I212 PolarHBondContact N-O 3.2Å; L145-I212 PolarHBondContact O-N 2.68Å; L145-V243 HydrophobicContact CD1-CG1 3.95Å; L145-V243 HydrophobicContact CD1-CG2 4.11Å; L145-V243 HydrophobicContact CD2-CG2 4.34Å; L145-F245 HydrophobicContact CD1-CE1 4.2Å; L145-F245 HydrophobicContact CD1-CZ 4.22Å; L145-I304 HydrophobicContact CD2-CG2 4.29Å; L145-D306 CarbonylContact C-O 3.58Å; L145-D306 WeakPolarHBondContact CA-O 3.24Å; L145-F307 HydrophobicContact CD2-CB 3.87Å; L145-F307 HydrophobicContact CD2-CD1 4.41Å; L145-F307 HydrophobicContact CD2-CD2 3.46Å; L145-F307 VanDerWaalsContact CD2-CD2 3.46Å; L145-F307 HydrophobicContact CD2-CE2 4.15Å; L145-F307 HydrophobicContact CD2-CG 3.64Å
146	Q	94.1	Very high	92.7	Very high	43 Å²	43	28.4 Å²	28.4	20%	0.201	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	128.4	168.6	-171.1	61.1	29.7	0	0	108.7	S210 R211 I304 S305 D306	Q146-S210 PolarHBondContact NE2-O 3.26Å; Q146-S210 PolarHBondContact NE2-OG 2.99Å; Q146-R211 VanDerWaalsContact OE1-CB 3.31Å; Q146-I304 CarbonylContact O-C 3.35Å; Q146-I304 WeakPolarHBondContact O-CA 3.43Å; Q146-I304 WeakPolarHBondContact O-CG2 3.05Å; Q146-S305 WeakPolarHBondContact CG-OG 3.36Å; Q146-S305 PolarHBondContact O-N 2.9Å; Q146-S305 PolarHBondContact O-OG 2.97Å; Q146-D306 HydrophobicContact CB-CB 3.89Å; Q146-D306 PolarHBondContact N-O 3.48Å
147	L	93	Very high	92.7	Very high	11 Å²	11	28.5 Å²	28.5	6%	0.058	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	147.7	173.7	-55.1	-177.2	0	0	0	109.8	R153 S210 I212 I304 S305	L147-R153 HydrophobicContact CD1-CB 4.22Å; L147-R153 HydrophobicContact CD1-CG 3.72Å; L147-S210 WeakPolarHBondContact CB-O 3.41Å; L147-S210 WeakPolarHBondContact CG-O 3.34Å; L147-S210 PolarHBondContact N-O 3.43Å; L147-I212 HydrophobicContact CD2-CD1 4.26Å; L147-I304 HydrophobicContact CD2-CD1 3.54Å; L147-S305 PolarHBondContact O-OG 2.03Å
148	C	92.4	Very high	92.6	Very high	4 Å²	4	25.4 Å²	25.4	3%	0.027	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-62.6	152.9	168.5	-68.3	0	0	0	0	111.2	C115 H150 A151 A303 I304	C115-C148 HydrophobicContact CB-CB 4.37Å; C115-C148 WeakPolarHBondContact CB-SG 3.33Å; C115-C148 WeakPolarHBondContact SG-CB 3.48Å; C115-C148 CovalentContact SG-SG 2.03Å; C115-C148 PolarHBondContact SG-SG 3.03Å; C148-H150 PolarHBondContact O-N 2.85Å; C148-A151 HydrophobicContact CB-CB 4.04Å; C148-A151 VanDerWaalsContact O-CB 3.24Å; C148-A151 WeakPolarHBondContact O-CB 3.44Å; C148-A151 PolarHBondContact O-N 2.86Å; C148-A303 HydrophobicContact CB-CB 3.82Å; C148-A303 PolarHBondContact N-O 2.93Å; C148-I304 PolarHBondContact SG-N 2.99Å
149	P	87.3	Confident	92.6	Very high	70 Å²	70	24.9 Å²	24.9	46%	0.455	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51	140.1	169.5	-25.3	35.2	0	0	0	111	A151	P149-A151 PolarHBondContact O-N 2.96Å
150	H	83.1	Confident	92.6	Very high	97 Å²	97	26.6 Å²	26.6	45%	0.449	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	4.6	179.7	-46.1	-80.2	0	0	0	116.8	E79 C148	E79-H150 HydrophobicContact CB-CB 4.48Å; C148-H150 PolarHBondContact O-N 2.85Å
151	A	86.8	Confident	92.6	Very high	14 Å²	14	26.5 Å²	26.5	12%	0.116	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-68.7	139.3	179.6	0	0	0	0	0	112.8	C148 P149 R153 A303	C148-A151 HydrophobicContact CB-CB 4.04Å; C148-A151 VanDerWaalsContact O-CB 3.24Å; C148-A151 WeakPolarHBondContact O-CB 3.44Å; C148-A151 PolarHBondContact O-N 2.86Å; P149-A151 PolarHBondContact O-N 2.96Å; A151-R153 PolarHBondContact O-N 2.59Å; A151-A303 HydrophobicContact CB-CB 3.85Å
152	P	84	Confident	92.7	Very high	24 Å²	24	23.7 Å²	23.7	16%	0.156	12%	0.116	C	C	.	.	P	Polyproline II helix	trans	-67.4	130.2	174.8	29.4	-34.3	0	0	0	110.3	L248 L300 H301	P152-L248 HydrophobicContact CB-CD2 4.2Å; P152-L248 HydrophobicContact CG-CD1 4.24Å; P152-L248 HydrophobicContact CG-CD2 4.05Å; P152-L248 WeakPolarHBondContact O-CD2 3.25Å; P152-L300 HydrophobicContact CB-CD2 4.04Å; P152-L300 HydrophobicContact CG-CD2 4.09Å; P152-H301 VanDerWaalsContact CG-O 3.27Å; P152-H301 WeakPolarHBondContact CG-O 3.29Å
153	R	85.2	Confident	92.7	Very high	64 Å²	64	22.4 Å²	22.4	24%	0.242	12%	0.115	C	C	.	.	P	Polyproline II helix	trans	-68.9	143.9	-177.7	-56.9	-165.6	-65.7	177	-0.8	111.1	L147 A151 D155 R206 Q249	L147-R153 HydrophobicContact CD1-CB 4.22Å; L147-R153 HydrophobicContact CD1-CG 3.72Å; A151-R153 PolarHBondContact O-N 2.59Å; R153-D155 PolarHBondContact O-N 2.91Å; R153-R206 PolarHBondContact NH1-O 2.81Å; R153-R206 VanDerWaalsContact NH1-O 3.09Å; R153-Q249 VanDerWaalsContact O-CB 3.31Å; R153-Q249 WeakPolarHBondContact O-CB 3.39Å; R153-Q249 PolarHBondContact O-N 3.33Å
154	P	90.6	Very high	92.6	Very high	4 Å²	4	24.9 Å²	24.9	3%	0.026	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	122.8	166.5	28.8	-33.1	0	0	0	109.8	M157 I212 F245 R247 Y302	P154-M157 HydrophobicContact CB-CG 4.46Å; P154-M157 HydrophobicContact CB-SD 4.29Å; P154-M157 HydrophobicContact CG-SD 3.83Å; P154-I212 HydrophobicContact CG-CD1 3.42Å; P154-I212 VanDerWaalsContact CG-CD1 3.42Å; P154-F245 HydrophobicContact CB-CD1 4.04Å; P154-F245 HydrophobicContact CG-CD1 4.35Å; P154-F245 HydrophobicContact CG-CE1 4.42Å; P154-R247 CarbonylContact C-O 3.45Å; P154-R247 WeakPolarHBondContact CA-O 3.26Å; P154-Y302 HydrophobicContact CB-CD1 4.46Å; P154-Y302 HydrophobicContact CB-CE1 4.16Å
155	D	88.9	Confident	92.7	Very high	24 Å²	24	28.4 Å²	28.4	13%	0.128	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	-35.9	170.2	157.5	91.4	0	0	0	111.1	R153 S176 S177 R247 Q249	R153-D155 PolarHBondContact O-N 2.91Å; D155-S176 WeakPolarHBondContact O-CA 3.46Å; D155-S177 PolarHBondContact O-N 3.34Å; D155-S177 WeakPolarHBondContact OD1-CB 3.46Å; D155-S177 PolarHBondContact OD1-OG 3.24Å; D155-R247 HydrophobicContact CB-CB 4.36Å; D155-R247 PolarHBondContact N-O 3.18Å; D155-R247 IonicContact OD1-NH1 3.48Å; D155-R247 WeakPolarHBondContact OD2-CD 3.4Å; D155-R247 IonicContact OD2-CZ 3.45Å; D155-R247 IonicContact OD2-NE 2.76Å; D155-R247 IonicContact OD2-NH1 3.1Å; D155-R247 PolarHBondContact OD2-NH1 2.84Å; D155-Q249 HydrophobicContact CB-CB 4.12Å
156	S	91.9	Very high	92.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	126.2	-175.2	-67.1	0	0	0	0	112.1	F175 S176 L182 H246 R247	S156-F175 CarbonylContact C-O 3.51Å; S156-F175 VanDerWaalsContact CA-O 3.29Å; S156-F175 WeakPolarHBondContact CA-O 2.99Å; S156-S176 WeakPolarHBondContact OG-CB 3.31Å; S156-S176 PolarHBondContact OG-OG 2.69Å; S156-L182 VanDerWaalsContact OG-CD2 3.28Å; S156-L182 WeakPolarHBondContact OG-CD2 3.23Å; S156-H246 PolarHBondContact O-N 2.94Å; S156-R247 PolarHBondContact N-O 3.32Å; S156-R247 PolarHBondContact O-N 3.3Å; S156-R247 VanDerWaalsContact O-N 3.16Å
157	M	94.4	Very high	92.8	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	163.6	179.4	60.3	171.4	-82.6	0	0	112.5	L145 P154 I159 F175 I212 V243 V244 F245	L145-M157 HydrophobicContact CD1-CE 3.74Å; L145-M157 HydrophobicContact CD1-SD 4.47Å; P154-M157 HydrophobicContact CB-CG 4.46Å; P154-M157 HydrophobicContact CB-SD 4.29Å; P154-M157 HydrophobicContact CG-SD 3.83Å; M157-I159 HydrophobicContact CE-CG1 4.08Å; M157-F175 HydrophobicContact CE-CD2 4.14Å; M157-F175 HydrophobicContact CG-CB 3.76Å; M157-F175 HydrophobicContact CG-CD2 4.14Å; M157-F175 HydrophobicContact CG-CG 4.32Å; M157-F175 PolarHBondContact N-O 2.97Å; M157-F175 PolarHBondContact O-N 3.15Å; M157-F175 VanDerWaalsContact O-O 3.11Å; M157-I212 HydrophobicContact CE-CG2 4.47Å; M157-I212 HydrophobicContact SD-CD1 3.75Å; M157-I212 HydrophobicContact SD-CG2 4.31Å; M157-V243 HydrophobicContact CE-CG1 3.69Å; M157-V244 CarbonylContact C-O 3.52Å; M157-V244 WeakPolarHBondContact CA-O 3.25Å; M157-V244 WeakPolarHBondContact CB-O 3.48Å; M157-F245 HydrophobicContact CB-CD1 3.9Å; M157-F245 HydrophobicContact CE-CE1 4.31Å; M157-F245 HydrophobicContact SD-CD1 4.03Å; M157-F245 HydrophobicContact SD-CE1 3.88Å
158	V	96.1	Very high	93	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	136.6	178.2	-169.4	0	0	0	0	110.3	Y160 F174 F183 V244	V158-Y160 HydrophobicContact CB-CD2 4.17Å; V158-Y160 HydrophobicContact CB-CE2 3.61Å; V158-Y160 HydrophobicContact CG1-CD2 3.82Å; V158-Y160 HydrophobicContact CG1-CE1 4.35Å; V158-Y160 HydrophobicContact CG1-CE2 3.43Å; V158-Y160 VanDerWaalsContact CG1-CE2 3.43Å; V158-Y160 HydrophobicContact CG1-CG 4.43Å; V158-Y160 HydrophobicContact CG2-CE2 4.48Å; V158-F174 HydrophobicContact CB-CD1 4.25Å; V158-F174 HydrophobicContact CG1-CD1 3.71Å; V158-F174 HydrophobicContact CG1-CE1 3.8Å; V158-F174 HydrophobicContact CG1-CG 4.17Å; V158-F174 HydrophobicContact CG1-CZ 4.34Å; V158-F174 HydrophobicContact CG2-CD1 3.5Å; V158-F174 VanDerWaalsContact CG2-CD1 3.5Å; V158-F174 HydrophobicContact CG2-CE1 3.93Å; V158-F174 HydrophobicContact CG2-CG 4.4Å; V158-F183 HydrophobicContact CG2-CD1 4.35Å; V158-F183 HydrophobicContact CG2-CE1 3.54Å; V158-F183 HydrophobicContact CG2-CE2 4.06Å; V158-F183 HydrophobicContact CG2-CZ 3.36Å; V158-V244 PolarHBondContact N-O 3.05Å; V158-V244 PolarHBondContact O-N 2.86Å
159	I	97.8	Very high	93.3	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	124.6	165.9	-54.4	179.5	0	0	0	107.4	V143 M157 F172 Q173 F175 F214 I241	V143-I159 HydrophobicContact CB-CD1 4.22Å; V143-I159 HydrophobicContact CG1-CD1 3.99Å; V143-I159 HydrophobicContact CG1-CG2 4.44Å; M157-I159 HydrophobicContact CE-CG1 4.08Å; I159-F172 HydrophobicContact CG2-CB 4.22Å; I159-F172 HydrophobicContact CG2-CD1 4.29Å; I159-F172 WeakPolarHBondContact O-CA 3.4Å; I159-F172 VanDerWaalsContact O-CB 3.32Å; I159-F172 WeakPolarHBondContact O-CB 3.48Å; I159-F172 PolarHBondContact O-N 3.17Å; I159-Q173 PolarHBondContact N-O 3.09Å; I159-Q173 PolarHBondContact O-N 2.9Å; I159-Q173 VanDerWaalsContact O-N 3.12Å; I159-F175 HydrophobicContact CD1-CE2 3.92Å; I159-F175 HydrophobicContact CG1-CE2 4.31Å; I159-F214 HydrophobicContact CD1-CB 3.9Å; I159-F214 HydrophobicContact CD1-CD1 4.3Å; I159-F214 HydrophobicContact CD1-CG 4.4Å; I159-I241 HydrophobicContact CG2-CG2 3.93Å
160	Y	98.5	Very high	93.8	Very high	60 Å²	60	40 Å²	40	24%	0.235	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	154.3	170.4	-64.3	-97.7	0	0	0	110	V158 Q170 P171 R242 V244	V158-Y160 HydrophobicContact CB-CD2 4.17Å; V158-Y160 HydrophobicContact CB-CE2 3.61Å; V158-Y160 HydrophobicContact CG1-CD2 3.82Å; V158-Y160 HydrophobicContact CG1-CE1 4.35Å; V158-Y160 HydrophobicContact CG1-CE2 3.43Å; V158-Y160 VanDerWaalsContact CG1-CE2 3.43Å; V158-Y160 HydrophobicContact CG1-CG 4.43Å; V158-Y160 HydrophobicContact CG2-CE2 4.48Å; Y160-Q170 WeakPolarHBondContact CA-O 3.47Å; Y160-P171 HydrophobicContact CD1-CB 4.37Å; Y160-P171 HydrophobicContact CD1-CG 4.23Å; Y160-P171 HydrophobicContact CE1-CB 4.35Å; Y160-P171 HydrophobicContact CE1-CG 3.95Å; Y160-R242 PolarHBondContact N-O 2.85Å; Y160-R242 PolarHBondContact O-N 3.03Å; Y160-V244 HydrophobicContact CD2-CG2 3.83Å; Y160-V244 HydrophobicContact CE2-CB 4.2Å; Y160-V244 HydrophobicContact CE2-CG2 3.7Å
161	K	98.4	Very high	94.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	152.3	167.6	64.6	165.9	-172.4	160.9	0	111.8	W169 Q170 F172 D234 W235 T237 A238 D240 I241	K161-W169 WeakPolarHBondContact O-CA 3.5Å; K161-Q170 HydrophobicContact CG-CG 3.83Å; K161-Q170 PolarHBondContact N-O 2.96Å; K161-Q170 PolarHBondContact O-N 3.32Å; K161-F172 HydrophobicContact CB-CB 4.47Å; K161-F172 HydrophobicContact CB-CD1 3.79Å; K161-F172 HydrophobicContact CB-CE1 4.2Å; K161-F172 HydrophobicContact CB-CG 4.18Å; K161-F172 HydrophobicContact CD-CD1 4.07Å; K161-F172 HydrophobicContact CD-CD2 3.92Å; K161-F172 HydrophobicContact CD-CE1 4.01Å; K161-F172 HydrophobicContact CD-CE2 3.86Å; K161-F172 HydrophobicContact CD-CG 4.04Å; K161-F172 HydrophobicContact CD-CZ 3.9Å; K161-F172 HydrophobicContact CG-CB 4.25Å; K161-F172 HydrophobicContact CG-CD1 4.04Å; K161-F172 HydrophobicContact CG-CD2 4.26Å; K161-F172 HydrophobicContact CG-CE1 4.43Å; K161-F172 HydrophobicContact CG-CG 3.94Å; K161-D234 PolarHBondContact NZ-O 2.84Å; K161-W235 PolarHBondContact NZ-O 3.37Å; K161-T237 WeakPolarHBondContact CD-O 3.45Å; K161-T237 PolarHBondContact NZ-O 2.8Å; K161-A238 HydrophobicContact CB-CB 4.02Å; K161-A238 HydrophobicContact CD-CB 4.14Å; K161-D240 WeakPolarHBondContact CA-O 3.27Å; K161-I241 HydrophobicContact CB-CD1 3.85Å
162	S	98.4	Very high	94.9	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.007	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	155.3	160.2	178.4	0	0	0	0	109.9	D164 G166 S168 A238 T239 D240	S162-D164 PolarHBondContact OG-N 2.96Å; S162-D164 PolarHBondContact OG-OD1 2.85Å; S162-G166 WeakPolarHBondContact OG-CA 3.24Å; S162-G166 PolarHBondContact OG-N 3.01Å; S162-S168 WeakPolarHBondContact CA-O 3.49Å; S162-S168 WeakPolarHBondContact CB-O 3.46Å; S162-S168 PolarHBondContact OG-O 2.84Å; S162-A238 CarbonylContact O-C 3.27Å; S162-A238 VanDerWaalsContact O-CA 3.26Å; S162-A238 WeakPolarHBondContact O-CA 3.29Å; S162-T239 PolarHBondContact O-N 2.76Å; S162-T239 PolarHBondContact O-OG1 2.88Å; S162-D240 WeakPolarHBondContact CB-OD2 3.26Å; S162-D240 PolarHBondContact N-O 3.02Å
163	T	97	Very high	95.5	Very high	36 Å²	36	36.4 Å²	36.4	22%	0.221	19%	0.19	C	C	.	.	S	Bend	trans	-122.5	3.4	172.1	49.1	0	0	0	0	112.4	T237	T163-T237 HydrophobicContact CG2-CG2 4.46Å; T163-T237 VanDerWaalsContact CG2-O 3.29Å; T163-T237 WeakPolarHBondContact CG2-O 3.26Å
164	D	96.4	Very high	96	Very high	54 Å²	54	34 Å²	34	29%	0.289	18%	0.181	S	C	.	.	S	Bend	trans	-137.1	30.8	-168.7	62.8	-2.4	0	0	0	112.8	S162 L167 S168 T239	S162-D164 PolarHBondContact OG-N 2.96Å; S162-D164 PolarHBondContact OG-OD1 2.85Å; D164-L167 WeakPolarHBondContact O-CD1 3.07Å; D164-L167 WeakPolarHBondContact O-CG 3.4Å; D164-L167 PolarHBondContact OD1-N 3.12Å; D164-S168 VanDerWaalsContact CG-OG 3.26Å; D164-S168 PolarHBondContact OD1-N 2.96Å; D164-S168 PolarHBondContact OD1-OG 2.84Å; D164-S168 WeakPolarHBondContact OD2-CB 3.42Å; D164-S168 PolarHBondContact OD2-N 2.99Å; D164-S168 PolarHBondContact OD2-OG 3.3Å; D164-T239 PolarHBondContact N-OG1 2.69Å
165	H	96	Very high	96.1	Very high	87 Å²	87	34.7 Å²	34.7	40%	0.403	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	55	178.1	-59.9	-70.9	0	0	0	113	G135 L167 T239 D240	G135-H165 PolarHBondContact O-CE1 3.45Å; H165-L167 VanDerWaalsContact C-N 3.26Å; H165-L167 PolarHBondContact O-N 3.31Å; H165-T239 PolarHBondContact N-OG1 2.85Å; H165-D240 WeakPolarHBondContact CA-OD2 3.47Å
166	G	95.5	Very high	96.2	Very high	28 Å²	28	33.5 Å²	33.5	29%	0.289	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	76	-1.1	174.4	0	0	0	0	0	116.2	S162 W169 D240	S162-G166 WeakPolarHBondContact OG-CA 3.24Å; S162-G166 PolarHBondContact OG-N 3.01Å; G166-W169 PolarHBondContact O-NE1 2.75Å; G166-D240 PolarHBondContact N-OD2 2.85Å
167	L	96.7	Very high	96.1	Very high	151 Å²	151	35.7 Å²	35.7	79%	0.791	19%	0.193	S	C	*	.	S	Bend	trans	-72.2	-37	-176.4	-64.9	176.6	0	0	0	113	D164 H165	D164-L167 WeakPolarHBondContact O-CD1 3.07Å; D164-L167 WeakPolarHBondContact O-CG 3.4Å; D164-L167 PolarHBondContact OD1-N 3.12Å; H165-L167 VanDerWaalsContact C-N 3.26Å; H165-L167 PolarHBondContact O-N 3.31Å
168	S	97.7	Very high	95.9	Very high	59 Å²	59	38.8 Å²	38.8	41%	0.413	21%	0.207	S	C	.	.	S	Bend	trans	-132.1	154.1	171.2	70.8	0	0	0	0	111.6	S162 D164	S162-S168 WeakPolarHBondContact CA-O 3.49Å; S162-S168 WeakPolarHBondContact CB-O 3.46Å; S162-S168 PolarHBondContact OG-O 2.84Å; D164-S168 VanDerWaalsContact CG-OG 3.26Å; D164-S168 PolarHBondContact OD1-N 2.96Å; D164-S168 PolarHBondContact OD1-OG 2.84Å; D164-S168 WeakPolarHBondContact OD2-CB 3.42Å; D164-S168 PolarHBondContact OD2-N 2.99Å; D164-S168 PolarHBondContact OD2-OG 3.3Å
169	W	98	Very high	95.7	Very high	66 Å²	66	38.9 Å²	38.9	25%	0.25	21%	0.208	C	C	.	.			trans	-133	126.9	-173.3	-67.9	87.4	0	0	0	109.7	T131 K161 G166 D240 R242	T131-W169 HydrophobicContact CG2-CH2 3.84Å; T131-W169 HydrophobicContact CG2-CZ2 4.08Å; K161-W169 WeakPolarHBondContact O-CA 3.5Å; G166-W169 PolarHBondContact O-NE1 2.75Å; W169-D240 HydrophobicContact CH2-CB 3.48Å; W169-D240 VanDerWaalsContact CH2-CB 3.48Å; W169-D240 HydrophobicContact CZ2-CB 4.14Å; W169-D240 HydrophobicContact CZ3-CB 4.14Å; W169-R242 HydrophobicContact CE3-CB 3.9Å; W169-R242 HydrophobicContact CH2-CB 3.87Å; W169-R242 HydrophobicContact CZ3-CB 3.46Å; W169-R242 VanDerWaalsContact CZ3-CB 3.46Å
170	Q	97.2	Very high	95.5	Very high	69 Å²	69	49 Å²	49	32%	0.322	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	142.9	175.7	55	-177.7	-30.7	0	0	110.2	Y160 K161	Y160-Q170 WeakPolarHBondContact CA-O 3.47Å; K161-Q170 HydrophobicContact CG-CG 3.83Å; K161-Q170 PolarHBondContact N-O 2.96Å; K161-Q170 PolarHBondContact O-N 3.32Å
171	P	97.3	Very high	95.2	Very high	44 Å²	44	56 Å²	56	29%	0.286	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	141.9	175.6	-18.9	30.8	0	0	0	111	Y160 F174 A199	Y160-P171 HydrophobicContact CD1-CB 4.37Å; Y160-P171 HydrophobicContact CD1-CG 4.23Å; Y160-P171 HydrophobicContact CE1-CB 4.35Å; Y160-P171 HydrophobicContact CE1-CG 3.95Å; P171-F174 HydrophobicContact CB-CD2 4.41Å; P171-F174 HydrophobicContact CB-CE2 3.43Å; P171-F174 VanDerWaalsContact CB-CE2 3.43Å; P171-F174 HydrophobicContact CB-CZ 3.52Å; P171-F174 HydrophobicContact CG-CE2 4.1Å; P171-F174 HydrophobicContact CG-CZ 3.77Å; P171-A199 HydrophobicContact CB-CB 3.92Å
172	F	96.9	Very high	94.9	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	-45.1	-179	-151.8	-172.4	0	0	0	110.3	L140 I159 K161 F214 T216 W235 I241	L140-F172 HydrophobicContact CD1-CE1 4.17Å; I159-F172 HydrophobicContact CG2-CB 4.22Å; I159-F172 HydrophobicContact CG2-CD1 4.29Å; I159-F172 WeakPolarHBondContact O-CA 3.4Å; I159-F172 VanDerWaalsContact O-CB 3.32Å; I159-F172 WeakPolarHBondContact O-CB 3.48Å; I159-F172 PolarHBondContact O-N 3.17Å; K161-F172 HydrophobicContact CB-CB 4.47Å; K161-F172 HydrophobicContact CB-CD1 3.79Å; K161-F172 HydrophobicContact CB-CE1 4.2Å; K161-F172 HydrophobicContact CB-CG 4.18Å; K161-F172 HydrophobicContact CD-CD1 4.07Å; K161-F172 HydrophobicContact CD-CD2 3.92Å; K161-F172 HydrophobicContact CD-CE1 4.01Å; K161-F172 HydrophobicContact CD-CE2 3.86Å; K161-F172 HydrophobicContact CD-CG 4.04Å; K161-F172 HydrophobicContact CD-CZ 3.9Å; K161-F172 HydrophobicContact CG-CB 4.25Å; K161-F172 HydrophobicContact CG-CD1 4.04Å; K161-F172 HydrophobicContact CG-CD2 4.26Å; K161-F172 HydrophobicContact CG-CE1 4.43Å; K161-F172 HydrophobicContact CG-CG 3.94Å; F172-F214 HydrophobicContact CB-CE1 4.23Å; F172-F214 HydrophobicContact CD1-CD1 4.4Å; F172-F214 AromaticContact CD1-CE1 3.65Å; F172-F214 HydrophobicContact CD1-CE1 3.65Å; F172-F214 AromaticContact CD2-CE1 3.65Å; F172-F214 HydrophobicContact CD2-CE1 3.65Å; F172-F214 AromaticContact CD2-CZ 3.77Å; F172-F214 HydrophobicContact CD2-CZ 3.77Å; F172-F214 AromaticContact CE1-CE1 3.86Å; F172-F214 HydrophobicContact CE1-CE1 3.86Å; F172-F214 AromaticContact CE2-CE1 3.86Å; F172-F214 HydrophobicContact CE2-CE1 3.86Å; F172-F214 HydrophobicContact CE2-CZ 4.02Å; F172-F214 AromaticContact CG-CE1 3.55Å; F172-F214 HydrophobicContact CG-CE1 3.55Å; F172-F214 HydrophobicContact CG-CZ 4.06Å; F172-F214 AromaticContact CZ-CE1 3.96Å; F172-F214 HydrophobicContact CZ-CE1 3.96Å; F172-F214 WeakPolarHBondContact O-CZ 3.47Å; F172-T216 HydrophobicContact CE1-CG2 4.15Å; F172-T216 HydrophobicContact CE2-CG2 4.09Å; F172-T216 HydrophobicContact CZ-CG2 3.52Å; F172-W235 HydrophobicContact CD2-CD2 4.45Å; F172-W235 AromaticContact CD2-CE2 3.87Å; F172-W235 AromaticContact CD2-CH2 3.69Å; F172-W235 HydrophobicContact CD2-CH2 3.69Å; F172-W235 AromaticContact CD2-CZ2 3.47Å; F172-W235 HydrophobicContact CD2-CZ2 3.47Å; F172-W235 VanDerWaalsContact CD2-CZ2 3.47Å; F172-W235 HydrophobicContact CD2-CZ3 4.25Å; F172-W235 HydrophobicContact CE2-CD2 4.2Å; F172-W235 AromaticContact CE2-CE2 3.72Å; F172-W235 HydrophobicContact CE2-CH2 4.36Å; F172-W235 AromaticContact CE2-CZ2 3.82Å; F172-W235 HydrophobicContact CE2-CZ2 3.82Å; F172-W235 AromaticContact CE2-NE1 3.94Å; F172-W235 VanDerWaalsContact CE2-O 3.3Å; F172-W235 WeakPolarHBondContact CE2-O 3.24Å; F172-W235 VanDerWaalsContact O-CH2 3.31Å; F172-W235 WeakPolarHBondContact O-CH2 3.02Å; F172-W235 WeakPolarHBondContact O-CZ2 3.35Å; F172-I241 HydrophobicContact CD1-CD1 3.93Å; F172-I241 HydrophobicContact CE1-CD1 3.9Å
173	Q	96	Very high	94.6	Very high	14 Å²	14	60.8 Å²	60.8	7%	0.065	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	142.2	171	-176.1	61.2	16.4	0	0	111.1	I159 F175 R200 S202 F214	I159-Q173 PolarHBondContact N-O 3.09Å; I159-Q173 PolarHBondContact O-N 2.9Å; I159-Q173 VanDerWaalsContact O-N 3.12Å; Q173-F175 HydrophobicContact CB-CE2 4.17Å; Q173-F175 HydrophobicContact CG-CD2 4.09Å; Q173-F175 HydrophobicContact CG-CE1 4.3Å; Q173-F175 HydrophobicContact CG-CE2 3.52Å; Q173-F175 HydrophobicContact CG-CZ 3.66Å; Q173-R200 PolarHBondContact OE1-O 2.96Å; Q173-S202 PolarHBondContact NE2-OG 2.82Å; Q173-F214 HydrophobicContact CB-CB 4.46Å; Q173-F214 HydrophobicContact CB-CD1 4.14Å; Q173-F214 HydrophobicContact CB-CD2 3.54Å; Q173-F214 HydrophobicContact CB-CE1 4.27Å; Q173-F214 HydrophobicContact CB-CE2 3.7Å; Q173-F214 HydrophobicContact CB-CG 3.77Å; Q173-F214 HydrophobicContact CB-CZ 4.06Å; Q173-F214 HydrophobicContact CG-CB 4.48Å; Q173-F214 HydrophobicContact CG-CD2 3.64Å; Q173-F214 HydrophobicContact CG-CE2 4.09Å; Q173-F214 HydrophobicContact CG-CG 4.11Å
174	F	95.2	Very high	94.4	Very high	15 Å²	15	62.1 Å²	62.1	7%	0.066	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	143.8	170.2	-61.3	-101.1	0	0	0	110.6	V158 P171 F183 R185 A199 R200 C201 S202	V158-F174 HydrophobicContact CB-CD1 4.25Å; V158-F174 HydrophobicContact CG1-CD1 3.71Å; V158-F174 HydrophobicContact CG1-CE1 3.8Å; V158-F174 HydrophobicContact CG1-CG 4.17Å; V158-F174 HydrophobicContact CG1-CZ 4.34Å; V158-F174 HydrophobicContact CG2-CD1 3.5Å; V158-F174 VanDerWaalsContact CG2-CD1 3.5Å; V158-F174 HydrophobicContact CG2-CE1 3.93Å; V158-F174 HydrophobicContact CG2-CG 4.4Å; P171-F174 HydrophobicContact CB-CD2 4.41Å; P171-F174 HydrophobicContact CB-CE2 3.43Å; P171-F174 VanDerWaalsContact CB-CE2 3.43Å; P171-F174 HydrophobicContact CB-CZ 3.52Å; P171-F174 HydrophobicContact CG-CE2 4.1Å; P171-F174 HydrophobicContact CG-CZ 3.77Å; F174-F183 HydrophobicContact CB-CD2 3.9Å; F174-F183 HydrophobicContact CB-CE2 4.17Å; F174-F183 HydrophobicContact CD1-CB 3.92Å; F174-F183 AromaticContact CD1-CD1 3.78Å; F174-F183 HydrophobicContact CD1-CD1 3.78Å; F174-F183 AromaticContact CD1-CD2 3.65Å; F174-F183 HydrophobicContact CD1-CD2 3.65Å; F174-F183 HydrophobicContact CD1-CE1 4.15Å; F174-F183 HydrophobicContact CD1-CE2 4Å; F174-F183 AromaticContact CD1-CG 3.52Å; F174-F183 HydrophobicContact CD1-CG 3.52Å; F174-F183 HydrophobicContact CD1-CZ 4.25Å; F174-F183 HydrophobicContact CE1-CB 4.24Å; F174-F183 HydrophobicContact CE1-CD1 4.05Å; F174-F183 HydrophobicContact CE1-CG 4.08Å; F174-F183 HydrophobicContact CG-CD2 4.2Å; F174-F183 HydrophobicContact CG-CG 4.38Å; F174-R185 VanDerWaalsContact CE2-NE 3.33Å; F174-A199 HydrophobicContact CD2-CB 4.11Å; F174-A199 HydrophobicContact CE2-CB 3.91Å; F174-R200 WeakPolarHBondContact CD2-O 3.24Å; F174-R200 PolarHBondContact N-O 3.34Å; F174-C201 HydrophobicContact CB-CB 3.79Å; F174-C201 WeakPolarHBondContact O-CA 3.2Å; F174-S202 PolarHBondContact O-N 2.91Å; F174-S202 PolarHBondContact O-OG 3.39Å
175	F	93.1	Very high	94.2	Very high	17 Å²	17	63.1 Å²	63.1	8%	0.075	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	122.4	175.7	-69.1	-80.9	0	0	0	109.5	S156 M157 I159 Q173 S202 V204 I212 F214	S156-F175 CarbonylContact C-O 3.51Å; S156-F175 VanDerWaalsContact CA-O 3.29Å; S156-F175 WeakPolarHBondContact CA-O 2.99Å; M157-F175 HydrophobicContact CE-CD2 4.14Å; M157-F175 HydrophobicContact CG-CB 3.76Å; M157-F175 HydrophobicContact CG-CD2 4.14Å; M157-F175 HydrophobicContact CG-CG 4.32Å; M157-F175 PolarHBondContact N-O 2.97Å; M157-F175 PolarHBondContact O-N 3.15Å; M157-F175 VanDerWaalsContact O-O 3.11Å; I159-F175 HydrophobicContact CD1-CE2 3.92Å; I159-F175 HydrophobicContact CG1-CE2 4.31Å; Q173-F175 HydrophobicContact CB-CE2 4.17Å; Q173-F175 HydrophobicContact CG-CD2 4.09Å; Q173-F175 HydrophobicContact CG-CE1 4.3Å; Q173-F175 HydrophobicContact CG-CE2 3.52Å; Q173-F175 HydrophobicContact CG-CZ 3.66Å; F175-S202 VanDerWaalsContact CA-O 3.32Å; F175-S202 WeakPolarHBondContact CA-O 3.27Å; F175-S202 VanDerWaalsContact CD1-OG 3.22Å; F175-S202 WeakPolarHBondContact CD1-OG 3.46Å; F175-S202 WeakPolarHBondContact CE1-OG 3.49Å; F175-V204 HydrophobicContact CB-CG2 3.72Å; F175-V204 HydrophobicContact CD1-CG2 4.09Å; F175-V204 HydrophobicContact CG-CG2 4.35Å; F175-I212 HydrophobicContact CD2-CG2 4.44Å; F175-I212 HydrophobicContact CE1-CG2 4.22Å; F175-I212 HydrophobicContact CE2-CG2 4.09Å; F175-I212 HydrophobicContact CZ-CG2 3.96Å; F175-F214 HydrophobicContact CE2-CB 4.45Å; F175-F214 HydrophobicContact CZ-CB 4.17Å
176	S	92.3	Very high	94	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	139.9	174.8	-174.4	0	0	0	0	113.2	D155 S156 Q178 C179 S202	D155-S176 WeakPolarHBondContact O-CA 3.46Å; S156-S176 WeakPolarHBondContact OG-CB 3.31Å; S156-S176 PolarHBondContact OG-OG 2.69Å; S176-Q178 PolarHBondContact O-N 2.78Å; S176-Q178 PolarHBondContact OG-N 3.4Å; S176-C179 PolarHBondContact O-SG 2.75Å; S176-S202 PolarHBondContact N-O 2.87Å
177	S	88.5	Confident	93.4	Very high	46 Å²	46	62.6 Å²	62.6	32%	0.322	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-23.4	163.8	67.5	0	0	0	0	113	D155 D203	D155-S177 PolarHBondContact O-N 3.34Å; D155-S177 WeakPolarHBondContact OD1-CB 3.46Å; D155-S177 PolarHBondContact OD1-OG 3.24Å; S177-D203 WeakPolarHBondContact CA-OD1 2.97Å
178	Q	90.2	Very high	92.7	Very high	65 Å²	65	66.7 Å²	66.7	30%	0.304	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.8	37.1	-172.6	-75.3	171.6	70.8	0	0	111.8	S176 R180 R181 L182	S176-Q178 PolarHBondContact O-N 2.78Å; S176-Q178 PolarHBondContact OG-N 3.4Å; Q178-R180 PolarHBondContact O-N 3.21Å; Q178-R181 HydrophobicContact CB-CB 4.32Å; Q178-R181 PolarHBondContact O-N 2.92Å; Q178-L182 PolarHBondContact O-N 3.12Å
179	C	92.8	Very high	91.8	Very high	2 Å²	2	66.3 Å²	66.3	1%	0.014	32%	0.316	C	S	.	.	H	α-helix	trans	-36.9	-46.8	-179.9	-78	0	0	0	0	114.9	S176 F183 G184 R185 A187 C201	S176-C179 PolarHBondContact O-SG 2.75Å; C179-F183 CarbonylContact O-C 3.57Å; C179-F183 WeakPolarHBondContact O-CA 3.35Å; C179-F183 PolarHBondContact O-N 3.49Å; C179-G184 PolarHBondContact O-N 3.08Å; C179-R185 CarbonylContact C-O 3.43Å; C179-R185 VanDerWaalsContact CB-O 3.29Å; C179-R185 WeakPolarHBondContact CB-O 3.35Å; C179-R185 PolarHBondContact O-N 2.83Å; C179-A187 HydrophobicContact CB-CB 3.98Å; C179-C201 VanDerWaalsContact CA-SG 3.59Å; C179-C201 HydrophobicContact CB-CB 3.69Å; C179-C201 WeakPolarHBondContact CB-SG 3.38Å; C179-C201 WeakPolarHBondContact SG-CB 3.5Å; C179-C201 CovalentContact SG-SG 2.03Å; C179-C201 PolarHBondContact SG-SG 3.44Å
180	R	93.3	Very high	91	Very high	215 Å²	215	68.4 Å²	68.4	81%	0.811	34%	0.34	S	S	*	.	H	α-helix	trans	-72.9	-33.3	-177.1	-169.3	176	-177.4	174.8	1.2	113.2	Q178 G184 R185	Q178-R180 PolarHBondContact O-N 3.21Å; R180-G184 WeakPolarHBondContact O-CA 3.25Å; R180-G184 PolarHBondContact O-N 2.94Å; R180-R185 VanDerWaalsContact CA-O 3.22Å; R180-R185 WeakPolarHBondContact CA-O 3.26Å; R180-R185 PolarHBondContact N-O 3Å
181	R	92.3	Very high	90.3	Very high	206 Å²	206	65.9 Å²	65.9	78%	0.777	33%	0.329	S	S	*	.	H	α-helix	trans	-83	-36.9	-179.5	-173.4	-171.3	-177.5	-173.7	6	112.1	Q178	Q178-R181 HydrophobicContact CB-CB 4.32Å; Q178-R181 PolarHBondContact O-N 2.92Å
182	L	91	Very high	89.7	Confident	65 Å²	65	65 Å²	65	34%	0.34	33%	0.329	S	S	.	.	H	α-helix	trans	-92.8	-38.9	-175	-172.6	64	0	0	0	113.5	S156 Q178	S156-L182 VanDerWaalsContact OG-CD2 3.28Å; S156-L182 WeakPolarHBondContact OG-CD2 3.23Å; Q178-L182 PolarHBondContact O-N 3.12Å
183	F	92.9	Very high	89.2	Confident	38 Å²	38	74.1 Å²	74.1	17%	0.167	36%	0.363	C	S	.	.	S	Bend	trans	-120.4	3.2	-174.1	-57.3	-49.5	0	0	0	113.9	V158 F174 C179 R185 H246	V158-F183 HydrophobicContact CG2-CD1 4.35Å; V158-F183 HydrophobicContact CG2-CE1 3.54Å; V158-F183 HydrophobicContact CG2-CE2 4.06Å; V158-F183 HydrophobicContact CG2-CZ 3.36Å; F174-F183 HydrophobicContact CB-CD2 3.9Å; F174-F183 HydrophobicContact CB-CE2 4.17Å; F174-F183 HydrophobicContact CD1-CB 3.92Å; F174-F183 AromaticContact CD1-CD1 3.78Å; F174-F183 HydrophobicContact CD1-CD1 3.78Å; F174-F183 AromaticContact CD1-CD2 3.65Å; F174-F183 HydrophobicContact CD1-CD2 3.65Å; F174-F183 HydrophobicContact CD1-CE1 4.15Å; F174-F183 HydrophobicContact CD1-CE2 4Å; F174-F183 AromaticContact CD1-CG 3.52Å; F174-F183 HydrophobicContact CD1-CG 3.52Å; F174-F183 HydrophobicContact CD1-CZ 4.25Å; F174-F183 HydrophobicContact CE1-CB 4.24Å; F174-F183 HydrophobicContact CE1-CD1 4.05Å; F174-F183 HydrophobicContact CE1-CG 4.08Å; F174-F183 HydrophobicContact CG-CD2 4.2Å; F174-F183 HydrophobicContact CG-CG 4.38Å; C179-F183 CarbonylContact O-C 3.57Å; C179-F183 WeakPolarHBondContact O-CA 3.35Å; C179-F183 PolarHBondContact O-N 3.49Å; F183-R185 PolarHBondContact O-N 3.13Å; F183-R185 VanDerWaalsContact O-N 3.13Å; F183-H246 AromaticContact CE1-CD2 3.77Å; F183-H246 AromaticContact CE1-NE2 3.92Å; F183-H246 AromaticContact CZ-CD2 3.71Å
184	G	93.4	Very high	88.7	Confident	64 Å²	64	81 Å²	81	66%	0.66	40%	0.395	S	S	*	.	S	Bend	trans	66.7	7.5	-178	0	0	0	0	0	115	C179 R180	C179-G184 PolarHBondContact O-N 3.08Å; R180-G184 WeakPolarHBondContact O-CA 3.25Å; R180-G184 PolarHBondContact O-N 2.94Å
185	R	91.7	Very high	88.5	Confident	74 Å²	74	80.8 Å²	80.8	28%	0.279	39%	0.394	S	S	.	.			trans	-106.2	147.5	-173.1	-72.4	179.6	-176.7	-84.8	-19.6	112.1	F174 C179 R180 F183 A199 C201	F174-R185 VanDerWaalsContact CE2-NE 3.33Å; C179-R185 CarbonylContact C-O 3.43Å; C179-R185 VanDerWaalsContact CB-O 3.29Å; C179-R185 WeakPolarHBondContact CB-O 3.35Å; C179-R185 PolarHBondContact O-N 2.83Å; R180-R185 VanDerWaalsContact CA-O 3.22Å; R180-R185 WeakPolarHBondContact CA-O 3.26Å; R180-R185 PolarHBondContact N-O 3Å; F183-R185 PolarHBondContact O-N 3.13Å; F183-R185 VanDerWaalsContact O-N 3.13Å; R185-A199 PolarHBondContact NH1-O 2.89Å; R185-C201 HydrophobicContact CB-CB 3.76Å
186	P	91	Very high	88.4	Confident	62 Å²	62	80.1 Å²	80.1	40%	0.403	39%	0.391	S	S	.	.			trans	-67.3	146	169.1	30.2	-34.8	0	0	0	110.7	R188 Q189	P186-R188 PolarHBondContact O-N 3.26Å; P186-Q189 HydrophobicContact CG-CB 4.05Å; P186-Q189 HydrophobicContact CG-CG 4.15Å
187	A	84.4	Confident	88.3	Confident	43 Å²	43	85.3 Å²	85.3	36%	0.355	42%	0.415	S	S	.	.	S	Bend	trans	-77.5	-7.2	-180	0	0	0	0	0	114.2	C179 C201	C179-A187 HydrophobicContact CB-CB 3.98Å; A187-C201 CarbonylContact C-O 3.28Å; A187-C201 VanDerWaalsContact C-O 3.28Å; A187-C201 VanDerWaalsContact O-O 3.12Å
188	R	80.6	Confident	88.5	Confident	237 Å²	237	86.2 Å²	86.2	89%	0.894	42%	0.415	S	S	*	.	S	Bend	trans	-142.5	123.6	167.3	-62.2	-174.8	-174.4	178.5	3.7	107.1	P186	P186-R188 PolarHBondContact O-N 3.26Å
189	Q	79.9	Confident	88.7	Confident	51 Å²	51	83.4 Å²	83.4	24%	0.238	40%	0.403	C	S	.	.			trans	-131.8	124.3	178.5	-163.4	-173.1	-16.6	0	0	108.3	P186 N195 E198 R200	P186-Q189 HydrophobicContact CG-CB 4.05Å; P186-Q189 HydrophobicContact CG-CG 4.15Å; Q189-N195 PolarHBondContact NE2-ND2 3.29Å; Q189-E198 PolarHBondContact NE2-OE2 3.46Å; Q189-R200 PolarHBondContact O-NE 3Å
190	S	80.4	Confident	88.7	Confident	110 Å²	110	85.3 Å²	85.3	77%	0.769	41%	0.41	S	S	*	.			trans	-66.7	143.3	168	45.8	0	0	0	0	109.7
191	T	82.2	Confident	88.7	Confident	15 Å²	15	75.2 Å²	75.2	9%	0.092	37%	0.372	C	S	.	.			trans	-114.8	114.1	173.3	-61.9	0	0	0	0	108.4	N195 E196 R200 P221	T191-N195 VanDerWaalsContact CA-OD1 3.29Å; T191-N195 WeakPolarHBondContact CA-OD1 3.41Å; T191-E196 HydrophobicContact CG2-CB 4.36Å; T191-E196 HydrophobicContact CG2-CG 3.79Å; T191-R200 PolarHBondContact OG1-NE 3.4Å; T191-R200 PolarHBondContact OG1-NH2 3.08Å; T191-P221 WeakPolarHBondContact O-CD 3.38Å; T191-P221 VanDerWaalsContact O-CG 3.27Å; T191-P221 WeakPolarHBondContact O-CG 3.43Å
192	G	84.9	Confident	88.6	Confident	26 Å²	26	66.9 Å²	66.9	27%	0.268	35%	0.345	S	S	.	.			trans	-87.9	171.9	164.7	0	0	0	0	0	110.3	H194 N195 E196	G192-H194 PolarHBondContact O-N 2.86Å; G192-N195 PolarHBondContact N-OD1 2.8Å; G192-N195 PolarHBondContact O-N 2.85Å; G192-N195 VanDerWaalsContact O-N 3.07Å; G192-N195 PolarHBondContact O-OD1 3.17Å; G192-E196 PolarHBondContact O-N 2.79Å
193	R	86.3	Confident	88.2	Confident	191 Å²	191	66.9 Å²	66.9	72%	0.721	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-54.4	-26.3	179.6	-66.9	-179	-177.8	-116.8	10	113.9	E196 P221	R193-E196 WeakPolarHBondContact CA-OE1 3.42Å; R193-P221 HydrophobicContact CG-CB 4.25Å
194	H	86.9	Confident	87.1	Confident	159 Å²	159	66.8 Å²	66.8	74%	0.736	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-72.9	-29.4	-179.9	61.6	-99	0	0	0	114.3	G192	G192-H194 PolarHBondContact O-N 2.86Å
195	N	90	Very high	85.3	Confident	11 Å²	11	68 Å²	68	6%	0.059	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-116.7	26.1	-177.5	71.8	-32.4	0	0	0	113.8	Q189 T191 G192 H197 E198	Q189-N195 PolarHBondContact NE2-ND2 3.29Å; T191-N195 VanDerWaalsContact CA-OD1 3.29Å; T191-N195 WeakPolarHBondContact CA-OD1 3.41Å; G192-N195 PolarHBondContact N-OD1 2.8Å; G192-N195 PolarHBondContact O-N 2.85Å; G192-N195 VanDerWaalsContact O-N 3.07Å; G192-N195 PolarHBondContact O-OD1 3.17Å; N195-H197 PolarHBondContact O-N 3.35Å; N195-E198 HydrophobicContact CB-CB 4.41Å; N195-E198 HydrophobicContact CB-CG 3.87Å; N195-E198 WeakPolarHBondContact CB-OE2 3.3Å; N195-E198 PolarHBondContact ND2-OE2 2.03Å; N195-E198 WeakPolarHBondContact O-CB 3.34Å; N195-E198 PolarHBondContact O-N 3.32Å
196	E	90.6	Very high	83.6	Confident	2 Å²	2	74 Å²	74	1%	0.009	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-7	177.2	-77.8	-167.4	-136.1	0	0	115.3	T191 G192 R193 R220 S222 V231 L232	T191-E196 HydrophobicContact CG2-CB 4.36Å; T191-E196 HydrophobicContact CG2-CG 3.79Å; G192-E196 PolarHBondContact O-N 2.79Å; R193-E196 WeakPolarHBondContact CA-OE1 3.42Å; E196-R220 HydrophobicContact CG-CB 4.37Å; E196-R220 PolarHBondContact O-NH1 3.31Å; E196-S222 WeakPolarHBondContact OE1-CB 3.34Å; E196-S222 PolarHBondContact OE1-N 3.19Å; E196-S222 PolarHBondContact OE1-OG 3.08Å; E196-S222 WeakPolarHBondContact OE2-CB 3.32Å; E196-S222 PolarHBondContact OE2-N 3.49Å; E196-S222 PolarHBondContact OE2-OG 3.25Å; E196-V231 HydrophobicContact CB-CG1 4.24Å; E196-L232 HydrophobicContact CB-CD2 4.1Å; E196-L232 WeakPolarHBondContact OE2-CD1 3.34Å; E196-L232 WeakPolarHBondContact OE2-CD2 3.47Å; E196-L232 WeakPolarHBondContact OE2-CG 3.47Å
197	H	90.6	Very high	81.6	Confident	109 Å²	109	75.5 Å²	75.5	51%	0.505	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.9	5.8	173.1	65.4	-85.1	0	0	0	113.8	N195 V231 W235	N195-H197 PolarHBondContact O-N 3.35Å; H197-V231 HydrophobicContact CB-CG1 4.07Å; H197-W235 HydrophobicContact CB-CE3 4.48Å; H197-W235 VanDerWaalsContact O-CE3 3.31Å; H197-W235 WeakPolarHBondContact O-CZ3 3.43Å
198	E	92.4	Very high	80.1	Confident	65 Å²	65	81.8 Å²	81.8	30%	0.304	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-84	141.5	178.2	-73.3	-169.9	148.9	0	0	112.9	Q189 N195 R220	Q189-E198 PolarHBondContact NE2-OE2 3.46Å; N195-E198 HydrophobicContact CB-CB 4.41Å; N195-E198 HydrophobicContact CB-CG 3.87Å; N195-E198 WeakPolarHBondContact CB-OE2 3.3Å; N195-E198 PolarHBondContact ND2-OE2 2.03Å; N195-E198 WeakPolarHBondContact O-CB 3.34Å; N195-E198 PolarHBondContact O-N 3.32Å; E198-R220 PolarHBondContact O-NH1 2.99Å; E198-R220 PolarHBondContact O-NH2 2.77Å
199	A	94.6	Very high	79.1	Confident	7 Å²	7	74.8 Å²	74.8	6%	0.058	39%	0.385	C	S	.	.	P	Polyproline II helix	trans	-80	123.2	166.6	0	0	0	0	0	110.6	P171 F174 R185 W235	P171-A199 HydrophobicContact CB-CB 3.92Å; F174-A199 HydrophobicContact CD2-CB 4.11Å; F174-A199 HydrophobicContact CE2-CB 3.91Å; R185-A199 PolarHBondContact NH1-O 2.89Å; A199-W235 HydrophobicContact CB-CH2 4.09Å
200	R	93.2	Very high	79.2	Confident	42 Å²	42	75.5 Å²	75.5	16%	0.158	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-81.7	164.7	176.2	-66.9	-179	178.6	141.8	0.9	110.9	Q173 F174 Q189 T191 E218 G219	Q173-R200 PolarHBondContact OE1-O 2.96Å; F174-R200 WeakPolarHBondContact CD2-O 3.24Å; F174-R200 PolarHBondContact N-O 3.34Å; Q189-R200 PolarHBondContact O-NE 3Å; T191-R200 PolarHBondContact OG1-NE 3.4Å; T191-R200 PolarHBondContact OG1-NH2 3.08Å; R200-E218 PolarHBondContact NH1-O 2.8Å; R200-G219 PolarHBondContact NH2-O 2.97Å
201	C	93.9	Very high	79.6	Confident	3 Å²	3	76.5 Å²	76.5	2%	0.02	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	138	157.3	-164.1	0	0	0	0	109.7	F174 C179 R185 A187	F174-C201 HydrophobicContact CB-CB 3.79Å; F174-C201 WeakPolarHBondContact O-CA 3.2Å; C179-C201 VanDerWaalsContact CA-SG 3.59Å; C179-C201 HydrophobicContact CB-CB 3.69Å; C179-C201 WeakPolarHBondContact CB-SG 3.38Å; C179-C201 WeakPolarHBondContact SG-CB 3.5Å; C179-C201 CovalentContact SG-SG 2.03Å; C179-C201 PolarHBondContact SG-SG 3.44Å; R185-C201 HydrophobicContact CB-CB 3.76Å; A187-C201 CarbonylContact C-O 3.28Å; A187-C201 VanDerWaalsContact C-O 3.28Å; A187-C201 VanDerWaalsContact O-O 3.12Å
202	S	90.1	Very high	80	Confident	30 Å²	30	76.5 Å²	76.5	21%	0.21	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	142.3	178.1	48.5	0	0	0	0	110.6	Q173 F174 F175 S176	Q173-S202 PolarHBondContact NE2-OG 2.82Å; F174-S202 PolarHBondContact O-N 2.91Å; F174-S202 PolarHBondContact O-OG 3.39Å; F175-S202 VanDerWaalsContact CA-O 3.32Å; F175-S202 WeakPolarHBondContact CA-O 3.27Å; F175-S202 VanDerWaalsContact CD1-OG 3.22Å; F175-S202 WeakPolarHBondContact CD1-OG 3.46Å; F175-S202 WeakPolarHBondContact CE1-OG 3.49Å; S176-S202 PolarHBondContact N-O 2.87Å
203	D	82.7	Confident	80.3	Confident	66 Å²	66	78 Å²	78	35%	0.353	39%	0.392	S	S	.	.			trans	-77.9	140.1	172.8	-169.7	1.4	0	0	0	111.3	S177 T205	S177-D203 WeakPolarHBondContact CA-OD1 2.97Å; D203-T205 WeakPolarHBondContact OD1-CG2 3.35Å; D203-T205 PolarHBondContact OD1-N 3.22Å; D203-T205 PolarHBondContact OD1-OG1 3.23Å; D203-T205 WeakPolarHBondContact OD2-CG2 3.06Å; D203-T205 PolarHBondContact OD2-OG1 3.1Å
204	V	68.6	Low	80.7	Confident	35 Å²	35	69.4 Å²	69.4	21%	0.212	36%	0.36	C	S	.	.			trans	-94.9	-3.2	-179.3	-156.2	0	0	0	0	111.7	F175 R206	F175-V204 HydrophobicContact CB-CG2 3.72Å; F175-V204 HydrophobicContact CD1-CG2 4.09Å; F175-V204 HydrophobicContact CG-CG2 4.35Å; V204-R206 PolarHBondContact O-N 3.34Å
205	T	57.4	Low	81.1	Confident	90 Å²	90	64 Å²	64	55%	0.552	34%	0.34	S	S	*	.			trans	-59.3	-0.6	-176.9	52.2	0	0	0	0	116.6	D203 P207	D203-T205 WeakPolarHBondContact OD1-CG2 3.35Å; D203-T205 PolarHBondContact OD1-N 3.22Å; D203-T205 PolarHBondContact OD1-OG1 3.23Å; D203-T205 WeakPolarHBondContact OD2-CG2 3.06Å; D203-T205 PolarHBondContact OD2-OG1 3.1Å; T205-P207 WeakPolarHBondContact O-CD 3.32Å
206	R	55.8	Low	81.4	Confident	199 Å²	199	63.5 Å²	63.5	75%	0.751	34%	0.337	S	S	*	.			trans	-59.6	125.4	168.6	-69.2	-172	-176.1	-106.7	8.7	109.7	R153 V204	R153-R206 PolarHBondContact NH1-O 2.81Å; R153-R206 VanDerWaalsContact NH1-O 3.09Å; V204-R206 PolarHBondContact O-N 3.34Å
207	P	48.1	Very low	81.6	Confident	95 Å²	95	65 Å²	65	62%	0.617	35%	0.345	S	S	*	.	S	Bend	trans	-75.2	171.9	174.7	33.3	-35.9	0	0	0	111.1	T205 V209	T205-P207 WeakPolarHBondContact O-CD 3.32Å; P207-V209 PolarHBondContact O-N 3Å
208	L	52	Low	81.6	Confident	175 Å²	175	66 Å²	66	92%	0.916	35%	0.35	S	S	*	.	S	Bend	trans	74.4	1	166.8	-52.2	174.5	0	0	0	119.8
209	V	60.5	Low	81.4	Confident	90 Å²	90	65.6 Å²	65.6	55%	0.545	36%	0.363	S	S	.	.			trans	-117.8	124.5	173.1	-77.5	0	0	0	0	113.9	P207 R211	P207-V209 PolarHBondContact O-N 3Å; V209-R211 PolarHBondContact O-N 3.43Å
210	S	81.7	Confident	81.4	Confident	65 Å²	65	65.4 Å²	65.4	46%	0.455	36%	0.361	S	S	.	.	S	Bend	trans	-81.2	15.1	170.4	51.8	0	0	0	0	113.4	Q146 L147	Q146-S210 PolarHBondContact NE2-O 3.26Å; Q146-S210 PolarHBondContact NE2-OG 2.99Å; L147-S210 WeakPolarHBondContact CB-O 3.41Å; L147-S210 WeakPolarHBondContact CG-O 3.34Å; L147-S210 PolarHBondContact N-O 3.43Å
211	R	88.5	Confident	81.3	Confident	131 Å²	131	66.5 Å²	66.5	49%	0.494	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	123.4	-170	-167.6	178.5	-167.7	-175.5	7.6	110.2	I144 Q146 V209	I144-R211 HydrophobicContact CG2-CG 3.97Å; Q146-R211 VanDerWaalsContact OE1-CB 3.31Å; V209-R211 PolarHBondContact O-N 3.43Å
212	I	91.2	Very high	81.2	Confident	16 Å²	16	67.2 Å²	67.2	8%	0.082	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	114.2	173.7	-56.7	177.3	0	0	0	107	I144 L145 L147 P154 M157 F175	I144-I212 WeakPolarHBondContact CA-O 3.46Å; L145-I212 HydrophobicContact CB-CB 4.43Å; L145-I212 PolarHBondContact N-O 3.2Å; L145-I212 PolarHBondContact O-N 2.68Å; L147-I212 HydrophobicContact CD2-CD1 4.26Å; P154-I212 HydrophobicContact CG-CD1 3.42Å; P154-I212 VanDerWaalsContact CG-CD1 3.42Å; M157-I212 HydrophobicContact CE-CG2 4.47Å; M157-I212 HydrophobicContact SD-CD1 3.75Å; M157-I212 HydrophobicContact SD-CG2 4.31Å; F175-I212 HydrophobicContact CD2-CG2 4.44Å; F175-I212 HydrophobicContact CE1-CG2 4.22Å; F175-I212 HydrophobicContact CE2-CG2 4.09Å; F175-I212 HydrophobicContact CZ-CG2 3.96Å
213	A	92.2	Very high	81.3	Confident	57 Å²	57	67.8 Å²	67.8	47%	0.471	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	134.2	-178.4	0	0	0	0	0	111	I144	I144-A213 HydrophobicContact CD1-CB 4.38Å; I144-A213 HydrophobicContact CG1-CB 3.93Å
214	F	94.5	Very high	81.5	Confident	10 Å²	10	76.5 Å²	76.5	4%	0.044	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	111	169.9	166.2	-123	0	0	0	109	Y142 V143 I159 F172 Q173 F175 T216 W235	Y142-F214 CarbonylContact C-O 3.14Å; Y142-F214 WeakPolarHBondContact CA-O 3.42Å; Y142-F214 WeakPolarHBondContact CB-O 3.41Å; V143-F214 HydrophobicContact CB-CD1 4.3Å; V143-F214 HydrophobicContact CG2-CD1 4.43Å; V143-F214 PolarHBondContact N-O 3.23Å; V143-F214 PolarHBondContact O-N 2.86Å; I159-F214 HydrophobicContact CD1-CB 3.9Å; I159-F214 HydrophobicContact CD1-CD1 4.3Å; I159-F214 HydrophobicContact CD1-CG 4.4Å; F172-F214 HydrophobicContact CB-CE1 4.23Å; F172-F214 HydrophobicContact CD1-CD1 4.4Å; F172-F214 AromaticContact CD1-CE1 3.65Å; F172-F214 HydrophobicContact CD1-CE1 3.65Å; F172-F214 AromaticContact CD2-CE1 3.65Å; F172-F214 HydrophobicContact CD2-CE1 3.65Å; F172-F214 AromaticContact CD2-CZ 3.77Å; F172-F214 HydrophobicContact CD2-CZ 3.77Å; F172-F214 AromaticContact CE1-CE1 3.86Å; F172-F214 HydrophobicContact CE1-CE1 3.86Å; F172-F214 AromaticContact CE2-CE1 3.86Å; F172-F214 HydrophobicContact CE2-CE1 3.86Å; F172-F214 HydrophobicContact CE2-CZ 4.02Å; F172-F214 AromaticContact CG-CE1 3.55Å; F172-F214 HydrophobicContact CG-CE1 3.55Å; F172-F214 HydrophobicContact CG-CZ 4.06Å; F172-F214 AromaticContact CZ-CE1 3.96Å; F172-F214 HydrophobicContact CZ-CE1 3.96Å; F172-F214 WeakPolarHBondContact O-CZ 3.47Å; Q173-F214 HydrophobicContact CB-CB 4.46Å; Q173-F214 HydrophobicContact CB-CD1 4.14Å; Q173-F214 HydrophobicContact CB-CD2 3.54Å; Q173-F214 HydrophobicContact CB-CE1 4.27Å; Q173-F214 HydrophobicContact CB-CE2 3.7Å; Q173-F214 HydrophobicContact CB-CG 3.77Å; Q173-F214 HydrophobicContact CB-CZ 4.06Å; Q173-F214 HydrophobicContact CG-CB 4.48Å; Q173-F214 HydrophobicContact CG-CD2 3.64Å; Q173-F214 HydrophobicContact CG-CE2 4.09Å; Q173-F214 HydrophobicContact CG-CG 4.11Å; F175-F214 HydrophobicContact CE2-CB 4.45Å; F175-F214 HydrophobicContact CZ-CB 4.17Å; F214-T216 HydrophobicContact CD1-CG2 4.46Å; F214-T216 HydrophobicContact CE1-CG2 3.86Å; F214-T216 HydrophobicContact CZ-CG2 4.25Å; F214-W235 HydrophobicContact CZ-CZ2 4.16Å
215	S	95.2	Very high	82.4	Confident	46 Å²	46	78.9 Å²	78.9	32%	0.322	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	123.7	169.7	171.6	0	0	0	0	109.6	L217 E218	S215-L217 VanDerWaalsContact C-N 3.29Å; S215-L217 PolarHBondContact O-N 2.92Å; S215-E218 PolarHBondContact O-N 2.84Å
216	T	95.7	Very high	83.9	Confident	0 Å²	0	76.6 Å²	76.6	0%	0	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-32.3	-168.8	59.5	0	0	0	0	112.6	L140 T141 F172 F214 R220 W235	L140-T216 HydrophobicContact CB-CG2 4.21Å; L140-T216 WeakPolarHBondContact O-CB 3.3Å; L140-T216 VanDerWaalsContact O-CG2 3.31Å; L140-T216 WeakPolarHBondContact O-CG2 3.29Å; L140-T216 PolarHBondContact O-OG1 3.48Å; T141-T216 PolarHBondContact O-N 3.25Å; T141-T216 PolarHBondContact O-OG1 2.74Å; F172-T216 HydrophobicContact CE1-CG2 4.15Å; F172-T216 HydrophobicContact CE2-CG2 4.09Å; F172-T216 HydrophobicContact CZ-CG2 3.52Å; F214-T216 HydrophobicContact CD1-CG2 4.46Å; F214-T216 HydrophobicContact CE1-CG2 3.86Å; F214-T216 HydrophobicContact CZ-CG2 4.25Å; T216-R220 WeakPolarHBondContact O-CD 3.35Å; T216-R220 PolarHBondContact O-NE 3.42Å; T216-W235 PolarHBondContact O-NE1 3.35Å
217	L	93.9	Very high	85.3	Confident	35 Å²	35	70 Å²	70	18%	0.183	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-4.5	-175.5	-64.4	175.4	0	0	0	114.1	S215 G219 R220 L226 L232 V236	S215-L217 VanDerWaalsContact C-N 3.29Å; S215-L217 PolarHBondContact O-N 2.92Å; L217-G219 PolarHBondContact O-N 2.85Å; L217-R220 PolarHBondContact O-N 2.92Å; L217-R220 VanDerWaalsContact O-N 3.1Å; L217-L226 HydrophobicContact CD1-CD2 4.32Å; L217-L226 HydrophobicContact CD2-CD1 4.37Å; L217-L232 HydrophobicContact CD2-CB 4.48Å; L217-L232 HydrophobicContact CD2-CD1 4.11Å; L217-L232 HydrophobicContact CD2-CD2 4.34Å; L217-V236 HydrophobicContact CD2-CG1 3.64Å; L217-V236 HydrophobicContact CG-CG1 4.1Å
218	E	92	Very high	87.1	Confident	130 Å²	130	69.1 Å²	69.1	61%	0.607	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	123	-170.1	-170.6	179.9	152.5	0	0	112.7	R200 S215 R220	R200-E218 PolarHBondContact NH1-O 2.8Å; S215-E218 PolarHBondContact O-N 2.84Å; E218-R220 PolarHBondContact O-N 2.84Å
219	G	88.7	Confident	89	Confident	55 Å²	55	61.4 Å²	61.4	57%	0.567	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	24.5	-179.9	0	0	0	0	0	114.6	R200 L217	R200-G219 PolarHBondContact NH2-O 2.97Å; L217-G219 PolarHBondContact O-N 2.85Å
220	R	93.3	Very high	90.6	Very high	4 Å²	4	61.4 Å²	61.4	2%	0.015	34%	0.344	C	S	.	.			trans	-95.8	120.6	171	-59.6	-173.2	-172	-90.9	-13.6	109.1	E196 E198 T216 L217 E218 S222 S223 L232 W235	E196-R220 HydrophobicContact CG-CB 4.37Å; E196-R220 PolarHBondContact O-NH1 3.31Å; E198-R220 PolarHBondContact O-NH1 2.99Å; E198-R220 PolarHBondContact O-NH2 2.77Å; T216-R220 WeakPolarHBondContact O-CD 3.35Å; T216-R220 PolarHBondContact O-NE 3.42Å; L217-R220 PolarHBondContact O-N 2.92Å; L217-R220 VanDerWaalsContact O-N 3.1Å; E218-R220 PolarHBondContact O-N 2.84Å; R220-S222 VanDerWaalsContact C-N 3.33Å; R220-S222 PolarHBondContact O-N 2.77Å; R220-S223 WeakPolarHBondContact O-CB 3.48Å; R220-S223 PolarHBondContact O-N 2.99Å; R220-S223 VanDerWaalsContact O-N 3.09Å; R220-S223 PolarHBondContact O-OG 3.17Å; R220-L232 HydrophobicContact CB-CD2 4.09Å; R220-L232 HydrophobicContact CG-CD2 4.49Å; R220-W235 VanDerWaalsContact CZ-CE2 3.41Å; R220-W235 VanDerWaalsContact NE-NE1 3.14Å
221	P	92.1	Very high	91.2	Very high	65 Å²	65	61.4 Å²	61.4	42%	0.422	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-55.6	-39	-169.8	-30.2	35.2	0	0	0	115.6	T191 R193 S223	T191-P221 WeakPolarHBondContact O-CD 3.38Å; T191-P221 VanDerWaalsContact O-CG 3.27Å; T191-P221 WeakPolarHBondContact O-CG 3.43Å; R193-P221 HydrophobicContact CG-CB 4.25Å; P221-S223 PolarHBondContact O-N 2.91Å
222	S	92	Very high	91.5	Very high	17 Å²	17	55.2 Å²	55.2	12%	0.119	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-82.4	7	-177.4	-47.6	0	0	0	0	113.7	E196 R220 R224 D225 L232	E196-S222 WeakPolarHBondContact OE1-CB 3.34Å; E196-S222 PolarHBondContact OE1-N 3.19Å; E196-S222 PolarHBondContact OE1-OG 3.08Å; E196-S222 WeakPolarHBondContact OE2-CB 3.32Å; E196-S222 PolarHBondContact OE2-N 3.49Å; E196-S222 PolarHBondContact OE2-OG 3.25Å; R220-S222 VanDerWaalsContact C-N 3.33Å; R220-S222 PolarHBondContact O-N 2.77Å; S222-R224 PolarHBondContact O-N 3.18Å; S222-D225 CarbonylContact O-C 3.52Å; S222-D225 VanDerWaalsContact O-C 3.27Å; S222-D225 WeakPolarHBondContact O-CA 3.42Å; S222-D225 PolarHBondContact O-N 3.03Å; S222-L232 WeakPolarHBondContact O-CD1 3.43Å
223	S	91.3	Very high	91.7	Very high	42 Å²	42	55.6 Å²	55.6	29%	0.294	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-59.6	-27.4	-176.4	51.6	0	0	0	0	114.9	R220 P221 D225	R220-S223 WeakPolarHBondContact O-CB 3.48Å; R220-S223 PolarHBondContact O-N 2.99Å; R220-S223 VanDerWaalsContact O-N 3.09Å; R220-S223 PolarHBondContact O-OG 3.17Å; P221-S223 PolarHBondContact O-N 2.91Å; S223-D225 VanDerWaalsContact C-N 3.25Å; S223-D225 PolarHBondContact O-N 3.05Å
224	R	87.6	Confident	91.8	Very high	249 Å²	249	57.4 Å²	57.4	94%	0.94	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-73.8	-14.3	173.5	-68	-174.9	176.7	-175.6	-1.1	113.8	S222	S222-R224 PolarHBondContact O-N 3.18Å
225	D	87.5	Confident	91.9	Very high	85 Å²	85	57.1 Å²	57.1	46%	0.455	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-131.1	52.9	-177.6	-168.8	9.4	0	0	0	110.3	S222 S223 D227 S228 S229	S222-D225 CarbonylContact O-C 3.52Å; S222-D225 VanDerWaalsContact O-C 3.27Å; S222-D225 WeakPolarHBondContact O-CA 3.42Å; S222-D225 PolarHBondContact O-N 3.03Å; S223-D225 VanDerWaalsContact C-N 3.25Å; S223-D225 PolarHBondContact O-N 3.05Å; D225-D227 PolarHBondContact O-N 3.14Å; D225-S228 PolarHBondContact O-N 2.85Å; D225-S228 VanDerWaalsContact OD1-CB 3.25Å; D225-S228 WeakPolarHBondContact OD1-CB 3.14Å; D225-S228 PolarHBondContact OD1-N 2.77Å; D225-S228 PolarHBondContact OD1-OG 3.37Å; D225-S228 WeakPolarHBondContact OD2-CB 3.04Å; D225-S228 PolarHBondContact OD2-OG 2.98Å; D225-S229 WeakPolarHBondContact O-CB 3.26Å; D225-S229 PolarHBondContact O-N 3.06Å; D225-S229 VanDerWaalsContact O-N 3.1Å
226	L	87.8	Confident	92	Very high	42 Å²	42	55.1 Å²	55.1	22%	0.22	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-28.9	177.1	-178.5	61.2	0	0	0	112	L217 L232 Q233 V236	L217-L226 HydrophobicContact CD1-CD2 4.32Å; L217-L226 HydrophobicContact CD2-CD1 4.37Å; L226-L232 HydrophobicContact CD1-CB 3.55Å; L226-Q233 HydrophobicContact CD1-CG 4.26Å; L226-Q233 VanDerWaalsContact O-CG 3.26Å; L226-Q233 WeakPolarHBondContact O-CG 3.5Å; L226-Q233 PolarHBondContact O-NE2 3.14Å; L226-V236 HydrophobicContact CD1-CG2 4.42Å
227	D	85.1	Confident	92.1	Very high	62 Å²	62	55.4 Å²	55.4	33%	0.332	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-34	178.7	-89.4	8.1	0	0	0	112.8	D225 Q233 T359 A360	D225-D227 PolarHBondContact O-N 3.14Å; D227-Q233 PolarHBondContact O-NE2 2.84Å; D227-T359 WeakPolarHBondContact OD2-CA 3.09Å; D227-A360 PolarHBondContact OD2-N 3.27Å
228	S	85.8	Confident	92.3	Very high	76 Å²	76	53.7 Å²	53.7	53%	0.531	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-22.7	174.8	93	0	0	0	0	114	D225 P230	D225-S228 PolarHBondContact O-N 2.85Å; D225-S228 VanDerWaalsContact OD1-CB 3.25Å; D225-S228 WeakPolarHBondContact OD1-CB 3.14Å; D225-S228 PolarHBondContact OD1-N 2.77Å; D225-S228 PolarHBondContact OD1-OG 3.37Å; D225-S228 WeakPolarHBondContact OD2-CB 3.04Å; D225-S228 PolarHBondContact OD2-OG 2.98Å; S228-P230 WeakPolarHBondContact O-CD 3.22Å
229	S	92.7	Very high	92.6	Very high	12 Å²	12	47.5 Å²	47.5	8%	0.084	27%	0.269	C	S	.	.			trans	-88.3	97.6	-173.6	-176.7	0	0	0	0	113.7	D225 V231 L232 Q233	D225-S229 WeakPolarHBondContact O-CB 3.26Å; D225-S229 PolarHBondContact O-N 3.06Å; D225-S229 VanDerWaalsContact O-N 3.1Å; S229-V231 PolarHBondContact O-N 3.48Å; S229-L232 PolarHBondContact O-N 2.98Å; S229-L232 PolarHBondContact OG-N 2.91Å; S229-Q233 WeakPolarHBondContact O-CG 3.49Å; S229-Q233 PolarHBondContact O-N 3.03Å
230	P	93.1	Very high	93.1	Very high	91 Å²	91	45.1 Å²	45.1	59%	0.591	24%	0.243	S	C	*	.	H	α-helix	trans	-64.5	-27.2	176.3	28.7	-37.6	0	0	0	112.4	S228 Q233 D234	S228-P230 WeakPolarHBondContact O-CD 3.22Å; P230-Q233 PolarHBondContact O-N 3.25Å; P230-D234 PolarHBondContact O-N 2.96Å
231	V	94.3	Very high	93.4	Very high	65 Å²	65	44.9 Å²	44.9	39%	0.394	24%	0.243	S	C	.	.	H	α-helix	trans	-63.7	-46.2	176.8	-179.2	0	0	0	0	110.2	E196 H197 S229 W235	E196-V231 HydrophobicContact CB-CG1 4.24Å; H197-V231 HydrophobicContact CB-CG1 4.07Å; S229-V231 PolarHBondContact O-N 3.48Å; V231-W235 WeakPolarHBondContact O-CB 3.16Å; V231-W235 PolarHBondContact O-N 2.8Å
232	L	94.9	Very high	93.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-74.3	-33.6	176.6	-70.5	-175.2	0	0	0	112.7	E196 L217 R220 S222 L226 S229 D234 W235 V236	E196-L232 HydrophobicContact CB-CD2 4.1Å; E196-L232 WeakPolarHBondContact OE2-CD1 3.34Å; E196-L232 WeakPolarHBondContact OE2-CD2 3.47Å; E196-L232 WeakPolarHBondContact OE2-CG 3.47Å; L217-L232 HydrophobicContact CD2-CB 4.48Å; L217-L232 HydrophobicContact CD2-CD1 4.11Å; L217-L232 HydrophobicContact CD2-CD2 4.34Å; R220-L232 HydrophobicContact CB-CD2 4.09Å; R220-L232 HydrophobicContact CG-CD2 4.49Å; S222-L232 WeakPolarHBondContact O-CD1 3.43Å; L226-L232 HydrophobicContact CD1-CB 3.55Å; S229-L232 PolarHBondContact O-N 2.98Å; S229-L232 PolarHBondContact OG-N 2.91Å; L232-D234 VanDerWaalsContact C-N 3.32Å; L232-D234 PolarHBondContact O-N 2.67Å; L232-W235 HydrophobicContact CD2-CB 4.41Å; L232-W235 PolarHBondContact O-N 2.96Å; L232-V236 WeakPolarHBondContact O-CG2 3.37Å; L232-V236 PolarHBondContact O-N 3.32Å
233	Q	95.1	Very high	93.9	Very high	24 Å²	24	44.4 Å²	44.4	11%	0.112	23%	0.23	C	C	.	.	H	α-helix	trans	-60.2	-40	174	-70.6	169.7	26.5	0	0	112.4	L226 D227 S229 P230 T237 K314 R357	L226-Q233 HydrophobicContact CD1-CG 4.26Å; L226-Q233 VanDerWaalsContact O-CG 3.26Å; L226-Q233 WeakPolarHBondContact O-CG 3.5Å; L226-Q233 PolarHBondContact O-NE2 3.14Å; D227-Q233 PolarHBondContact O-NE2 2.84Å; S229-Q233 WeakPolarHBondContact O-CG 3.49Å; S229-Q233 PolarHBondContact O-N 3.03Å; P230-Q233 PolarHBondContact O-N 3.25Å; Q233-T237 PolarHBondContact O-N 3.06Å; Q233-T237 PolarHBondContact O-OG1 3.49Å; Q233-K314 PolarHBondContact O-NZ 3.37Å; Q233-R357 VanDerWaalsContact OE1-CD 3.26Å
234	D	95.6	Very high	94.2	Very high	95 Å²	95	43 Å²	43	51%	0.508	22%	0.22	S	C	.	.	H	α-helix	trans	-73.3	-38.8	172.8	-165.8	74.1	0	0	0	111.8	K161 P230 L232 V236 T237	K161-D234 PolarHBondContact NZ-O 2.84Å; P230-D234 PolarHBondContact O-N 2.96Å; L232-D234 VanDerWaalsContact C-N 3.32Å; L232-D234 PolarHBondContact O-N 2.67Å; D234-V236 PolarHBondContact O-N 3.25Å; D234-T237 WeakPolarHBondContact O-CB 3.44Å; D234-T237 PolarHBondContact O-N 2.84Å; D234-T237 VanDerWaalsContact O-N 3.08Å
235	W	96.8	Very high	94.5	Very high	5 Å²	5	31.2 Å²	31.2	2%	0.019	18%	0.175	C	C	.	.	H	α-helix	trans	-58.9	-43.4	175.7	178.4	-105.2	0	0	0	113.3	K161 F172 H197 A199 F214 T216 R220 V231 L232 T237	K161-W235 PolarHBondContact NZ-O 3.37Å; F172-W235 HydrophobicContact CD2-CD2 4.45Å; F172-W235 AromaticContact CD2-CE2 3.87Å; F172-W235 AromaticContact CD2-CH2 3.69Å; F172-W235 HydrophobicContact CD2-CH2 3.69Å; F172-W235 AromaticContact CD2-CZ2 3.47Å; F172-W235 HydrophobicContact CD2-CZ2 3.47Å; F172-W235 VanDerWaalsContact CD2-CZ2 3.47Å; F172-W235 HydrophobicContact CD2-CZ3 4.25Å; F172-W235 HydrophobicContact CE2-CD2 4.2Å; F172-W235 AromaticContact CE2-CE2 3.72Å; F172-W235 HydrophobicContact CE2-CH2 4.36Å; F172-W235 AromaticContact CE2-CZ2 3.82Å; F172-W235 HydrophobicContact CE2-CZ2 3.82Å; F172-W235 AromaticContact CE2-NE1 3.94Å; F172-W235 VanDerWaalsContact CE2-O 3.3Å; F172-W235 WeakPolarHBondContact CE2-O 3.24Å; F172-W235 VanDerWaalsContact O-CH2 3.31Å; F172-W235 WeakPolarHBondContact O-CH2 3.02Å; F172-W235 WeakPolarHBondContact O-CZ2 3.35Å; H197-W235 HydrophobicContact CB-CE3 4.48Å; H197-W235 VanDerWaalsContact O-CE3 3.31Å; H197-W235 WeakPolarHBondContact O-CZ3 3.43Å; A199-W235 HydrophobicContact CB-CH2 4.09Å; F214-W235 HydrophobicContact CZ-CZ2 4.16Å; T216-W235 PolarHBondContact O-NE1 3.35Å; R220-W235 VanDerWaalsContact CZ-CE2 3.41Å; R220-W235 VanDerWaalsContact NE-NE1 3.14Å; V231-W235 WeakPolarHBondContact O-CB 3.16Å; V231-W235 PolarHBondContact O-N 2.8Å; L232-W235 HydrophobicContact CD2-CB 4.41Å; L232-W235 PolarHBondContact O-N 2.96Å; W235-T237 VanDerWaalsContact C-N 3.3Å; W235-T237 PolarHBondContact O-N 2.98Å
236	V	97.1	Very high	94.7	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.018	17%	0.166	C	C	.	.	H	α-helix	trans	-76.7	-15.4	175.5	-57.7	0	0	0	0	113.4	E139 L140 L217 L226 L232 D234	E139-V236 HydrophobicContact CB-CG2 3.85Å; E139-V236 HydrophobicContact CG-CG2 4.12Å; L140-V236 PolarHBondContact N-O 2.91Å; L140-V236 WeakPolarHBondContact O-CB 3.49Å; L217-V236 HydrophobicContact CD2-CG1 3.64Å; L217-V236 HydrophobicContact CG-CG1 4.1Å; L226-V236 HydrophobicContact CD1-CG2 4.42Å; L232-V236 WeakPolarHBondContact O-CG2 3.37Å; L232-V236 PolarHBondContact O-N 3.32Å; D234-V236 PolarHBondContact O-N 3.25Å
237	T	98.1	Very high	94.8	Very high	6 Å²	6	31.6 Å²	31.6	4%	0.037	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	129.3	-179.3	-63.8	0	0	0	0	111.2	K137 F138 K161 T163 Q233 D234 W235 K314	K137-T237 HydrophobicContact CB-CG2 4.16Å; K137-T237 HydrophobicContact CD-CG2 3.92Å; K137-T237 HydrophobicContact CG-CG2 4.09Å; F138-T237 WeakPolarHBondContact O-CA 3.21Å; K161-T237 WeakPolarHBondContact CD-O 3.45Å; K161-T237 PolarHBondContact NZ-O 2.8Å; T163-T237 HydrophobicContact CG2-CG2 4.46Å; T163-T237 VanDerWaalsContact CG2-O 3.29Å; T163-T237 WeakPolarHBondContact CG2-O 3.26Å; Q233-T237 PolarHBondContact O-N 3.06Å; Q233-T237 PolarHBondContact O-OG1 3.49Å; D234-T237 WeakPolarHBondContact O-CB 3.44Å; D234-T237 PolarHBondContact O-N 2.84Å; D234-T237 VanDerWaalsContact O-N 3.08Å; W235-T237 VanDerWaalsContact C-N 3.3Å; W235-T237 PolarHBondContact O-N 2.98Å; T237-K314 HydrophobicContact CG2-CD 4.06Å; T237-K314 PolarHBondContact OG1-NZ 3.47Å
238	A	98.4	Very high	94.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	153	168.4	0	0	0	0	0	111.7	K137 F138 L140 K161 S162 I241	K137-A238 CarbonylContact C-O 3.59Å; K137-A238 WeakPolarHBondContact CA-O 3.44Å; F138-A238 PolarHBondContact N-O 2.74Å; F138-A238 PolarHBondContact O-N 3.05Å; L140-A238 HydrophobicContact CD1-CB 3.68Å; L140-A238 HydrophobicContact CG-CB 4.33Å; K161-A238 HydrophobicContact CB-CB 4.02Å; K161-A238 HydrophobicContact CD-CB 4.14Å; S162-A238 CarbonylContact O-C 3.27Å; S162-A238 VanDerWaalsContact O-CA 3.26Å; S162-A238 WeakPolarHBondContact O-CA 3.29Å; A238-I241 HydrophobicContact CB-CD1 4.13Å
239	T	98.1	Very high	94.7	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	-25.4	168.1	49.9	0	0	0	0	112.7	L134 K137 S162 D164 H165	L134-T239 VanDerWaalsContact CB-O 3.28Å; L134-T239 WeakPolarHBondContact CB-O 3.35Å; L134-T239 PolarHBondContact N-O 3.18Å; K137-T239 HydrophobicContact CB-CG2 4.41Å; K137-T239 HydrophobicContact CG-CG2 3.5Å; S162-T239 PolarHBondContact O-N 2.76Å; S162-T239 PolarHBondContact O-OG1 2.88Å; D164-T239 PolarHBondContact N-OG1 2.69Å; H165-T239 PolarHBondContact N-OG1 2.85Å
240	D	98.5	Very high	93.6	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.021	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	148.3	-174.2	-40.8	-102.4	0	0	0	108.9	L132 S133 K161 S162 H165 G166 W169	L132-D240 CarbonylContact O-C 3.57Å; L132-D240 VanDerWaalsContact O-CA 3.24Å; L132-D240 WeakPolarHBondContact O-CA 3.31Å; L132-D240 WeakPolarHBondContact O-CB 3.19Å; S133-D240 WeakPolarHBondContact CA-OD1 3.37Å; S133-D240 WeakPolarHBondContact CB-OD1 3.47Å; S133-D240 PolarHBondContact OG-OD1 2.87Å; K161-D240 WeakPolarHBondContact CA-O 3.27Å; S162-D240 WeakPolarHBondContact CB-OD2 3.26Å; S162-D240 PolarHBondContact N-O 3.02Å; H165-D240 WeakPolarHBondContact CA-OD2 3.47Å; G166-D240 PolarHBondContact N-OD2 2.85Å; W169-D240 HydrophobicContact CH2-CB 3.48Å; W169-D240 VanDerWaalsContact CH2-CB 3.48Å; W169-D240 HydrophobicContact CZ2-CB 4.14Å; W169-D240 HydrophobicContact CZ3-CB 4.14Å
241	I	98.6	Very high	92.3	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	138	175.3	-61.6	-63.1	0	0	0	109	L132 L140 V143 I159 K161 F172 A238 F307 V309	L132-I241 PolarHBondContact N-O 2.9Å; L132-I241 PolarHBondContact O-N 3.17Å; L140-I241 HydrophobicContact CD1-CD1 3.72Å; L140-I241 HydrophobicContact CD1-CG1 4.08Å; V143-I241 HydrophobicContact CG1-CG2 4.31Å; V143-I241 HydrophobicContact CG2-CD1 4.25Å; V143-I241 HydrophobicContact CG2-CG1 4.41Å; V143-I241 HydrophobicContact CG2-CG2 4.46Å; I159-I241 HydrophobicContact CG2-CG2 3.93Å; K161-I241 HydrophobicContact CB-CD1 3.85Å; F172-I241 HydrophobicContact CD1-CD1 3.93Å; F172-I241 HydrophobicContact CE1-CD1 3.9Å; A238-I241 HydrophobicContact CB-CD1 4.13Å; I241-F307 HydrophobicContact CB-CZ 4.39Å; I241-F307 HydrophobicContact CG2-CE2 4.14Å; I241-F307 HydrophobicContact CG2-CZ 3.92Å; I241-V309 HydrophobicContact CG1-CG1 4.45Å
242	R	98.4	Very high	90.6	Very high	71 Å²	71	37.5 Å²	37.5	27%	0.268	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	123.3	171.3	178.3	-178.8	-65.5	137.6	2.2	110.2	L130 T131 Y160 W169 V244	L130-R242 CarbonylContact O-C 3.52Å; L130-R242 VanDerWaalsContact O-CA 3.27Å; L130-R242 WeakPolarHBondContact O-CA 3.3Å; T131-R242 HydrophobicContact CG2-CB 4.5Å; T131-R242 PolarHBondContact OG1-NE 2.99Å; Y160-R242 PolarHBondContact N-O 2.85Å; Y160-R242 PolarHBondContact O-N 3.03Å; W169-R242 HydrophobicContact CE3-CB 3.9Å; W169-R242 HydrophobicContact CH2-CB 3.87Å; W169-R242 HydrophobicContact CZ3-CB 3.46Å; W169-R242 VanDerWaalsContact CZ3-CB 3.46Å; R242-V244 HydrophobicContact CG-CG2 3.97Å
243	V	97.8	Very high	88.4	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	136.5	166.3	-176	0	0	0	0	108.4	T129 L130 L145 M157 F245 F307	T129-V243 VanDerWaalsContact CA-O 3.24Å; T129-V243 WeakPolarHBondContact CA-O 3.41Å; L130-V243 HydrophobicContact CB-CB 4.29Å; L130-V243 PolarHBondContact N-O 3.4Å; L130-V243 PolarHBondContact O-N 2.91Å; L145-V243 HydrophobicContact CD1-CG1 3.95Å; L145-V243 HydrophobicContact CD1-CG2 4.11Å; L145-V243 HydrophobicContact CD2-CG2 4.34Å; M157-V243 HydrophobicContact CE-CG1 3.69Å; V243-F245 HydrophobicContact CG1-CD1 4.16Å; V243-F245 HydrophobicContact CG1-CD2 4.43Å; V243-F245 HydrophobicContact CG1-CE1 3.7Å; V243-F245 HydrophobicContact CG1-CE2 4.02Å; V243-F245 HydrophobicContact CG1-CZ 3.63Å; V243-F307 HydrophobicContact CG2-CE1 4.49Å; V243-F307 HydrophobicContact CG2-CE2 4.19Å; V243-F307 HydrophobicContact CG2-CZ 3.96Å
244	V	97	Very high	86.1	Confident	14 Å²	14	47.5 Å²	47.5	9%	0.085	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	114.5	173.9	-177.9	0	0	0	0	108.1	N127 T129 M157 V158 Y160 R242	N127-V244 HydrophobicContact CB-CG1 4.09Å; T129-V244 HydrophobicContact CG2-CB 4.36Å; T129-V244 HydrophobicContact CG2-CG1 4.14Å; T129-V244 HydrophobicContact CG2-CG2 3.94Å; M157-V244 CarbonylContact C-O 3.52Å; M157-V244 WeakPolarHBondContact CA-O 3.25Å; M157-V244 WeakPolarHBondContact CB-O 3.48Å; V158-V244 PolarHBondContact N-O 3.05Å; V158-V244 PolarHBondContact O-N 2.86Å; Y160-V244 HydrophobicContact CD2-CG2 3.83Å; Y160-V244 HydrophobicContact CE2-CB 4.2Å; Y160-V244 HydrophobicContact CE2-CG2 3.7Å; R242-V244 HydrophobicContact CG-CG2 3.97Å
245	F	94.9	Very high	83.7	Confident	1 Å²	1	44.3 Å²	44.3	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	129.3	173.9	-52.4	-75.2	0	0	0	109.8	W116 N127 V128 L130 L145 P154 M157 V243 Y302 I304	W116-F245 HydrophobicContact CH2-CE2 4.31Å; W116-F245 HydrophobicContact CZ3-CE2 4.23Å; N127-F245 WeakPolarHBondContact CA-O 3.36Å; V128-F245 HydrophobicContact CB-CD2 4.34Å; V128-F245 HydrophobicContact CG1-CD2 4.4Å; V128-F245 PolarHBondContact N-O 3.01Å; V128-F245 WeakPolarHBondContact O-CD2 3.41Å; V128-F245 PolarHBondContact O-N 3.29Å; L130-F245 HydrophobicContact CD1-CE2 3.88Å; L130-F245 HydrophobicContact CD1-CZ 4.15Å; L130-F245 HydrophobicContact CG-CE2 4.08Å; L145-F245 HydrophobicContact CD1-CE1 4.2Å; L145-F245 HydrophobicContact CD1-CZ 4.22Å; P154-F245 HydrophobicContact CB-CD1 4.04Å; P154-F245 HydrophobicContact CG-CD1 4.35Å; P154-F245 HydrophobicContact CG-CE1 4.42Å; M157-F245 HydrophobicContact CB-CD1 3.9Å; M157-F245 HydrophobicContact CE-CE1 4.31Å; M157-F245 HydrophobicContact SD-CD1 4.03Å; M157-F245 HydrophobicContact SD-CE1 3.88Å; V243-F245 HydrophobicContact CG1-CD1 4.16Å; V243-F245 HydrophobicContact CG1-CD2 4.43Å; V243-F245 HydrophobicContact CG1-CE1 3.7Å; V243-F245 HydrophobicContact CG1-CE2 4.02Å; V243-F245 HydrophobicContact CG1-CZ 3.63Å; F245-Y302 HydrophobicContact CB-CD1 3.83Å; F245-Y302 HydrophobicContact CB-CD2 4.22Å; F245-Y302 HydrophobicContact CB-CE1 3.41Å; F245-Y302 VanDerWaalsContact CB-CE1 3.41Å; F245-Y302 HydrophobicContact CB-CE2 3.81Å; F245-Y302 HydrophobicContact CB-CG 4.22Å; F245-Y302 HydrophobicContact CD1-CD1 4.04Å; F245-Y302 HydrophobicContact CD1-CE1 4.2Å; F245-Y302 HydrophobicContact CD2-CD1 4.23Å; F245-Y302 HydrophobicContact CD2-CD2 4.42Å; F245-Y302 HydrophobicContact CD2-CG 4.11Å; F245-Y302 AromaticContact CG-CD1 3.8Å; F245-Y302 HydrophobicContact CG-CD1 3.8Å; F245-Y302 AromaticContact CG-CE1 3.89Å; F245-Y302 HydrophobicContact CG-CE1 3.89Å; F245-Y302 HydrophobicContact CG-CG 4.13Å; F245-I304 HydrophobicContact CE1-CD1 4.45Å; F245-I304 HydrophobicContact CZ-CD1 4.02Å; F245-I304 HydrophobicContact CZ-CG1 4.1Å
246	H	91.1	Very high	81.4	Confident	55 Å²	55	47.1 Å²	47.1	26%	0.255	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	-27.6	-176.6	-71	-71.1	0	0	0	113.7	N127 S156 F183	N127-H246 PolarHBondContact OD1-ND1 2.61Å; S156-H246 PolarHBondContact O-N 2.94Å; F183-H246 AromaticContact CE1-CD2 3.77Å; F183-H246 AromaticContact CE1-NE2 3.92Å; F183-H246 AromaticContact CZ-CD2 3.71Å
247	R	88.7	Confident	79	Confident	80 Å²	80	52.1 Å²	52.1	30%	0.302	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	137.6	-178.4	-155.6	-171.6	-60.5	141.4	-7	111.5	P154 D155 S156 Y302	P154-R247 CarbonylContact C-O 3.45Å; P154-R247 WeakPolarHBondContact CA-O 3.26Å; D155-R247 HydrophobicContact CB-CB 4.36Å; D155-R247 PolarHBondContact N-O 3.18Å; D155-R247 IonicContact OD1-NH1 3.48Å; D155-R247 WeakPolarHBondContact OD2-CD 3.4Å; D155-R247 IonicContact OD2-CZ 3.45Å; D155-R247 IonicContact OD2-NE 2.76Å; D155-R247 IonicContact OD2-NH1 3.1Å; D155-R247 PolarHBondContact OD2-NH1 2.84Å; S156-R247 PolarHBondContact N-O 3.32Å; S156-R247 PolarHBondContact O-N 3.3Å; S156-R247 VanDerWaalsContact O-N 3.16Å; R247-Y302 WeakPolarHBondContact CA-OH 3.48Å; R247-Y302 PolarHBondContact N-OH 2.82Å
248	L	87.6	Confident	76.3	Confident	17 Å²	17	56 Å²	56	9%	0.089	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	144.5	163.6	-73.8	169.6	0	0	0	110.9	V121 P152 R250 L300 Y302	V121-L248 HydrophobicContact CG2-CD1 4.39Å; P152-L248 HydrophobicContact CB-CD2 4.2Å; P152-L248 HydrophobicContact CG-CD1 4.24Å; P152-L248 HydrophobicContact CG-CD2 4.05Å; P152-L248 WeakPolarHBondContact O-CD2 3.25Å; L248-R250 PolarHBondContact O-N 3.08Å; L248-L300 HydrophobicContact CD1-CB 3.74Å; L248-Y302 HydrophobicContact CD1-CE1 4.39Å; L248-Y302 HydrophobicContact CD2-CD1 3.38Å; L248-Y302 HydrophobicContact CD2-CE1 3.3Å; L248-Y302 HydrophobicContact CD2-CG 4.21Å; L248-Y302 HydrophobicContact CG-CD1 3.96Å; L248-Y302 HydrophobicContact CG-CE1 3.48Å; L248-Y302 VanDerWaalsContact CG-CE1 3.48Å; L248-Y302 HydrophobicContact CG-CE2 4.44Å
249	Q	81.3	Confident	73.9	Confident	88 Å²	88	59.9 Å²	59.9	41%	0.411	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-65.8	119.4	164.4	-173.7	176.9	7.4	0	0	107.3	R153 D155	R153-Q249 VanDerWaalsContact O-CB 3.31Å; R153-Q249 WeakPolarHBondContact O-CB 3.39Å; R153-Q249 PolarHBondContact O-N 3.33Å; D155-Q249 HydrophobicContact CB-CB 4.12Å
250	R	71.3	Confident	71.3	Confident	193 Å²	193	66.9 Å²	66.9	73%	0.728	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-67.6	145	170.9	-67.1	-176	179.5	-177.3	-1.2	108.8	L248	L248-R250 PolarHBondContact O-N 3.08Å
251	P	65.2	Low	68.6	Low	40 Å²	40	70.6 Å²	70.6	26%	0.26	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-51.7	151.4	166	-24.7	34.5	0	0	0	111	Y80	Y80-P251 HydrophobicContact CD2-CG 4.05Å; Y80-P251 HydrophobicContact CE2-CG 3.9Å
252	D	59.3	Low	65.6	Low	92 Å²	92	73.4 Å²	73.4	49%	0.492	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-61.3	127.7	179.2	-162.3	-53.8	0	0	0	110.1	Q254 A255 L256	D252-Q254 PolarHBondContact O-N 2.76Å; D252-Q254 VanDerWaalsContact O-N 3.12Å; D252-Q254 WeakPolarHBondContact OD1-CB 3.42Å; D252-Q254 WeakPolarHBondContact OD1-CG 3.19Å; D252-Q254 PolarHBondContact OD1-N 2.83Å; D252-A255 HydrophobicContact CB-CB 4.42Å; D252-A255 WeakPolarHBondContact O-CB 3.41Å; D252-A255 PolarHBondContact O-N 3Å; D252-L256 PolarHBondContact O-N 3.48Å
253	P	47.8	Very low	62.6	Low	88 Å²	88	73.3 Å²	73.3	57%	0.571	42%	0.416	S	S	*	.	H	α-helix	trans	-53.4	-30	175.2	-27.3	35.8	0	0	0	113.6	A255 L256 L257	P253-A255 VanDerWaalsContact C-N 3.34Å; P253-L256 PolarHBondContact O-N 2.85Å; P253-L257 VanDerWaalsContact O-CG 3.31Å; P253-L257 WeakPolarHBondContact O-CG 3.46Å; P253-L257 PolarHBondContact O-N 2.93Å
254	Q	46.2	Very low	59.7	Low	145 Å²	145	77.1 Å²	77.1	68%	0.678	45%	0.447	S	S	*	.	H	α-helix	trans	-66.4	-36.8	177.5	-62.2	-179.8	-15.2	0	0	111.6	D252 L256 L257 S258	D252-Q254 PolarHBondContact O-N 2.76Å; D252-Q254 VanDerWaalsContact O-N 3.12Å; D252-Q254 WeakPolarHBondContact OD1-CB 3.42Å; D252-Q254 WeakPolarHBondContact OD1-CG 3.19Å; D252-Q254 PolarHBondContact OD1-N 2.83Å; Q254-L256 VanDerWaalsContact C-N 3.32Å; Q254-L256 PolarHBondContact O-N 3.31Å; Q254-L257 PolarHBondContact O-N 2.92Å; Q254-S258 PolarHBondContact O-N 2.92Å; Q254-S258 VanDerWaalsContact O-N 3.08Å; Q254-S258 PolarHBondContact O-OG 3.32Å; Q254-S258 VanDerWaalsContact O-OG 3.09Å
255	A	45.3	Very low	56.5	Low	28 Å²	28	82.5 Å²	82.5	23%	0.231	48%	0.481	C	S	.	.	H	α-helix	trans	-69.4	-28	175.2	0	0	0	0	0	113	D252 P253 L259	D252-A255 HydrophobicContact CB-CB 4.42Å; D252-A255 WeakPolarHBondContact O-CB 3.41Å; D252-A255 PolarHBondContact O-N 3Å; P253-A255 VanDerWaalsContact C-N 3.34Å; A255-L259 WeakPolarHBondContact O-CD1 3.44Å
256	L	48.3	Very low	53.4	Low	65 Å²	65	89.6 Å²	89.6	34%	0.34	52%	0.519	S	S	.	.	H	α-helix	trans	-75.8	-45.2	172.8	-84.1	157.8	0	0	0	111.8	D252 P253 Q254 S258 L259 E260	D252-L256 PolarHBondContact O-N 3.48Å; P253-L256 PolarHBondContact O-N 2.85Å; Q254-L256 VanDerWaalsContact C-N 3.32Å; Q254-L256 PolarHBondContact O-N 3.31Å; L256-S258 VanDerWaalsContact C-N 3.28Å; L256-S258 PolarHBondContact O-N 3.06Å; L256-L259 WeakPolarHBondContact O-CB 3.48Å; L256-L259 PolarHBondContact O-N 2.89Å; L256-E260 PolarHBondContact O-N 2.97Å
257	L	47.1	Very low	50.6	Low	108 Å²	108	94.8 Å²	94.8	57%	0.565	55%	0.547	S	S	*	.	H	α-helix	trans	-63.3	-32.4	179	-71.4	165.4	0	0	0	112.7	P253 Q254 L259 A261	P253-L257 VanDerWaalsContact O-CG 3.31Å; P253-L257 WeakPolarHBondContact O-CG 3.46Å; P253-L257 PolarHBondContact O-N 2.93Å; Q254-L257 PolarHBondContact O-N 2.92Å; L257-L259 VanDerWaalsContact C-N 3.25Å; L257-L259 PolarHBondContact O-N 3.47Å; L257-A261 WeakPolarHBondContact O-CB 3.34Å; L257-A261 PolarHBondContact O-N 2.85Å; L257-A261 VanDerWaalsContact O-N 3.08Å
258	S	41.3	Very low	48	Very low	86 Å²	86	95.7 Å²	95.7	60%	0.601	57%	0.572	S	S	*	*	H	α-helix	trans	-64.4	-25.9	172.6	-63.9	0	0	0	0	114	Q254 L256	Q254-S258 PolarHBondContact O-N 2.92Å; Q254-S258 VanDerWaalsContact O-N 3.08Å; Q254-S258 PolarHBondContact O-OG 3.32Å; Q254-S258 VanDerWaalsContact O-OG 3.09Å; L256-S258 VanDerWaalsContact C-N 3.28Å; L256-S258 PolarHBondContact O-N 3.06Å
259	L	47.5	Very low	45.4	Very low	82 Å²	82	101.5 Å²	101.5	43%	0.429	61%	0.614	S	S	.	*	H	α-helix	trans	-81.8	-43.4	177.8	-66	162	0	0	0	111.1	H83 A255 L256 L257 A261 G262	H83-L259 WeakPolarHBondContact O-CD1 3.22Å; A255-L259 WeakPolarHBondContact O-CD1 3.44Å; L256-L259 WeakPolarHBondContact O-CB 3.48Å; L256-L259 PolarHBondContact O-N 2.89Å; L257-L259 VanDerWaalsContact C-N 3.25Å; L257-L259 PolarHBondContact O-N 3.47Å; L259-A261 VanDerWaalsContact C-N 3.34Å; L259-A261 PolarHBondContact O-N 2.83Å; L259-G262 PolarHBondContact O-N 3.3Å
260	E	44.1	Very low	43.2	Very low	147 Å²	147	100.5 Å²	100.5	69%	0.687	63%	0.627	S	S	*	*	H	α-helix	trans	-68.9	-31.7	179.9	-65.9	-179.9	156.1	0	0	112.3	L256	L256-E260 PolarHBondContact O-N 2.97Å
261	A	41.8	Very low	41.5	Very low	82 Å²	82	100 Å²	100	68%	0.678	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	-20.2	173.1	0	0	0	0	0	114.1	L257 L259	L257-A261 WeakPolarHBondContact O-CB 3.34Å; L257-A261 PolarHBondContact O-N 2.85Å; L257-A261 VanDerWaalsContact O-N 3.08Å; L259-A261 VanDerWaalsContact C-N 3.34Å; L259-A261 PolarHBondContact O-N 2.83Å
262	G	35.9	Very low	40	Very low	60 Å²	60	108.8 Å²	108.8	62%	0.619	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	-13.4	-174.9	0	0	0	0	0	115.5	L259	L259-G262 PolarHBondContact O-N 3.3Å
263	G	34.5	Very low	38.7	Very low	68 Å²	68	109.7 Å²	109.7	70%	0.701	67%	0.673	S	S	*	*	S	Bend	trans	-104.8	5.6	-173.4	0	0	0	0	0	116.1
264	A	36.9	Very low	38.1	Very low	81 Å²	81	112.2 Å²	112.2	67%	0.669	69%	0.687	S	S	*	*			trans	-104	25	-165.1	0	0	0	0	0	115.2
265	T	31.6	Very low	37.5	Very low	127 Å²	127	110.8 Å²	110.8	78%	0.779	69%	0.69	S	S	*	*	S	Bend	trans	-118.5	44.3	-177	62.2	0	0	0	0	113.8
266	D	29.5	Very low	36.7	Very low	150 Å²	150	117.3 Å²	117.3	80%	0.802	72%	0.72	S	S	*	*	S	Bend	trans	-160.3	161	155.9	-119.7	-34.8	0	0	0	111.7
267	L	32.7	Very low	36.1	Very low	164 Å²	164	119 Å²	119	86%	0.859	74%	0.743	S	S	*	*			trans	60.7	79.7	-178.3	-72.8	76.8	0	0	0	117.1
268	A	32.5	Very low	35.5	Very low	99 Å²	99	121.5 Å²	121.5	82%	0.818	76%	0.757	S	S	*	*			trans	-141.7	26.9	161.6	0	0	0	0	0	114.7	G270	A268-G270 VanDerWaalsContact C-N 3.27Å; A268-G270 PolarHBondContact O-N 2.91Å
269	S	34.1	Very low	35.1	Very low	139 Å²	139	121 Å²	121	97%	0.972	77%	0.765	S	S	*	*			trans	-76.4	66.6	179.8	-61.7	0	0	0	0	112.9
270	G	35	Very low	34.5	Very low	66 Å²	66	123.1 Å²	123.1	68%	0.68	78%	0.784	S	S	*	*			trans	-160.9	106.7	-174.8	0	0	0	0	0	115.4	A268	A268-G270 VanDerWaalsContact C-N 3.27Å; A268-G270 PolarHBondContact O-N 2.91Å
271	K	34.9	Very low	33.9	Very low	183 Å²	183	121.2 Å²	121.2	80%	0.796	79%	0.793	S	S	*	*			trans	-45.8	141.9	163.2	-56	160.1	-173.7	174.7	0	109.4
272	Y	34.7	Very low	33.5	Very low	225 Å²	225	120.7 Å²	120.7	88%	0.882	80%	0.796	S	S	*	*				-151.6	163.2	55	-78.3	-87.2	0	0	0	113.8
273	S	31.7	Very low	33.2	Very low	111 Å²	111	124.7 Å²	124.7	78%	0.776	80%	0.803	S	S	*	*			trans	-115.1	154.9	-178.6	55	0	0	0	0	113
274	V	33.7	Very low	33	Very low	141 Å²	141	129 Å²	129	86%	0.855	81%	0.81	S	S	*	*			trans	-173.8	149.2	135.9	137.8	0	0	0	0	109.8
275	P	33.7	Very low	32.9	Very low	115 Å²	115	132.6 Å²	132.6	75%	0.747	82%	0.816	S	S	*	*			trans	-125	155.3	-154.7	40	-25.4	0	0	0	118.6
276	L	29.3	Very low	32.7	Very low	165 Å²	165	135.9 Å²	135.9	86%	0.864	82%	0.823	S	S	*	*			trans	35.6	126.6	137.6	-152.8	79.5	0	0	0	121.8
277	A	36.8	Very low	32.8	Very low	100 Å²	100	132.3 Å²	132.3	83%	0.826	81%	0.814	S	S	*	*			trans	-148.9	138.2	157.3	0	0	0	0	0	113.8
278	N	32.9	Very low	32.5	Very low	161 Å²	161	132.3 Å²	132.3	86%	0.861	82%	0.815	S	S	*	*			trans	-66.9	156.7	-166.1	-53.7	-40	0	0	0	118
279	G	33.6	Very low	32.4	Very low	74 Å²	74	135.7 Å²	135.7	76%	0.763	82%	0.818	S	S	*	*			trans	171.8	121	160.8	0	0	0	0	0	114.6
280	P	35	Very low	32	Very low	128 Å²	128	132.7 Å²	132.7	83%	0.831	81%	0.809	S	S	*	*			trans	-105	153.1	-171.9	37.9	-33.9	0	0	0	116.6
281	A	31.7	Very low	31.6	Very low	107 Å²	107	132.2 Å²	132.2	88%	0.884	81%	0.805	S	S	*	*			trans	56.7	107.9	154.1	0	0	0	0	0	120.1
282	G	31.9	Very low	31.2	Very low	70 Å²	70	131.5 Å²	131.5	72%	0.722	81%	0.809	S	S	*	*			trans	159.2	83.7	157.6	0	0	0	0	0	117.6
283	N	30.4	Very low	31	Very low	145 Å²	145	127.5 Å²	127.5	78%	0.775	81%	0.808	S	S	*	*			trans	59.4	144.3	156	-56.6	-23.2	0	0	0	120.7
284	N	29.6	Very low	30.8	Very low	159 Å²	159	126.1 Å²	126.1	85%	0.85	80%	0.803	S	S	*	*			trans	50	86.3	153.6	-54.8	-10.6	0	0	0	118.3
285	I	35.1	Very low	30.6	Very low	155 Å²	155	125.6 Å²	125.6	80%	0.795	80%	0.801	S	S	*	*			trans	-128.5	121.4	158.6	-61.3	-179.2	0	0	0	109.8	A287	I285-A287 VanDerWaalsContact C-N 3.33Å; I285-A287 PolarHBondContact O-N 2.95Å
286	E	28.3	Very low	30.6	Very low	197 Å²	197	125.5 Å²	125.5	92%	0.921	80%	0.803	S	S	*	*			trans	-73.1	86.3	166.4	-66.1	176.1	120.6	0	0	108.8	N288	E286-N288 VanDerWaalsContact C-N 3.33Å; E286-N288 PolarHBondContact O-N 3.22Å
287	A	31	Very low	31.3	Very low	75 Å²	75	120.1 Å²	120.1	62%	0.62	79%	0.787	S	S	*	*			trans	-73.2	85.5	-178.2	0	0	0	0	0	111.1	I285 L289	I285-A287 VanDerWaalsContact C-N 3.33Å; I285-A287 PolarHBondContact O-N 2.95Å; A287-L289 VanDerWaalsContact C-N 3.32Å; A287-L289 PolarHBondContact O-N 3.27Å
288	N	26.7	Very low	32.2	Very low	163 Å²	163	117.6 Å²	117.6	87%	0.872	76%	0.763	S	S	*	*			trans	-72.8	79	-177.7	-160	6.8	0	0	0	111.6	E286 G290	E286-N288 VanDerWaalsContact C-N 3.33Å; E286-N288 PolarHBondContact O-N 3.22Å; N288-G290 PolarHBondContact O-N 3.37Å
289	L	31.4	Very low	34	Very low	171 Å²	171	110.3 Å²	110.3	90%	0.895	73%	0.726	S	S	*	*			trans	-76.1	69.9	177.2	-77.9	167	0	0	0	111.7	A287 G291	A287-L289 VanDerWaalsContact C-N 3.32Å; A287-L289 PolarHBondContact O-N 3.27Å; L289-G291 PolarHBondContact O-N 3.47Å
290	G	25.7	Very low	36.4	Very low	76 Å²	76	107.6 Å²	107.6	78%	0.784	69%	0.694	S	S	*	*			trans	-72	111.3	164.9	0	0	0	0	0	110.4	N288	N288-G290 PolarHBondContact O-N 3.37Å
291	G	26.5	Very low	39	Very low	56 Å²	56	101.5 Å²	101.5	58%	0.577	65%	0.654	S	S	*	*	S	Bend	trans	178.2	63.6	-175.2	0	0	0	0	0	113.9	L289 V293	L289-G291 PolarHBondContact O-N 3.47Å; G291-V293 VanDerWaalsContact C-N 3.29Å; G291-V293 PolarHBondContact O-N 3.06Å
292	D	26	Very low	42	Very low	168 Å²	168	96.6 Å²	96.6	90%	0.898	61%	0.613	S	S	*	*			trans	47.8	24.1	155.4	-60.5	-16.2	0	0	0	120.7	A294	D292-A294 PolarHBondContact O-N 3.48Å; D292-A294 VanDerWaalsContact O-N 3.08Å
293	V	30.3	Very low	44.9	Very low	140 Å²	140	93.4 Å²	93.4	85%	0.848	58%	0.58	S	S	*	*			trans	-84.5	55	160.3	-166.8	0	0	0	0	110.4	G291 T295	G291-V293 VanDerWaalsContact C-N 3.29Å; G291-V293 PolarHBondContact O-N 3.06Å; V293-T295 PolarHBondContact O-N 2.7Å
294	A	26.9	Very low	48	Very low	82 Å²	82	86.6 Å²	86.6	68%	0.678	54%	0.544	S	S	*	.			trans	-73.6	94.7	179.3	0	0	0	0	0	111.2	D292 S296	D292-A294 PolarHBondContact O-N 3.48Å; D292-A294 VanDerWaalsContact O-N 3.08Å; A294-S296 PolarHBondContact O-N 2.9Å
295	T	30.1	Very low	51.2	Low	131 Å²	131	79.1 Å²	79.1	80%	0.804	50%	0.504	S	S	*	.			trans	52.7	62.2	158.8	54.6	0	0	0	0	116.2	V293 G297	V293-T295 PolarHBondContact O-N 2.7Å; T295-G297 PolarHBondContact O-N 3.19Å
296	S	32.5	Very low	54.1	Low	113 Å²	113	72.4 Å²	72.4	79%	0.79	47%	0.47	S	S	*	.			trans	-68	68.4	144.3	-91.6	0	0	0	0	109.5	A294 S298	A294-S296 PolarHBondContact O-N 2.9Å; S296-S298 PolarHBondContact O-N 3.2Å
297	G	43.9	Very low	57.4	Low	52 Å²	52	63 Å²	63	54%	0.536	43%	0.426	S	S	.	.			trans	-53.1	124.9	173.3	0	0	0	0	0	108.7	T295 G299	T295-G297 PolarHBondContact O-N 3.19Å; G297-G299 PolarHBondContact O-N 2.92Å
298	S	56	Low	60.5	Low	47 Å²	47	60.2 Å²	60.2	33%	0.329	40%	0.402	S	S	.	.			trans	-59.6	117.9	-174.9	55.2	0	0	0	0	109	S296 L300	S296-S298 PolarHBondContact O-N 3.2Å; S298-L300 PolarHBondContact O-N 2.92Å
299	G	72.1	Confident	63.9	Low	8 Å²	8	52.5 Å²	52.5	8%	0.082	36%	0.36	C	S	.	.			trans	-65.6	16.1	-177.8	0	0	0	0	0	115.4	C78 G297 H301	C78-G299 PolarHBondContact N-O 2.76Å; C78-G299 VanDerWaalsContact N-O 3.11Å; G297-G299 PolarHBondContact O-N 2.92Å; G299-H301 PolarHBondContact O-ND1 3.4Å
300	L	82.9	Confident	67	Low	16 Å²	16	44.3 Å²	44.3	8%	0.084	32%	0.317	C	S	.	.			trans	-65.2	132.6	172.3	-62	174.6	0	0	0	109.4	Y80 V121 P152 L248 S298	Y80-L300 HydrophobicContact CD2-CD2 4.42Å; Y80-L300 HydrophobicContact CE2-CD2 4.08Å; V121-L300 PolarHBondContact N-O 2.9Å; P152-L300 HydrophobicContact CB-CD2 4.04Å; P152-L300 HydrophobicContact CG-CD2 4.09Å; L248-L300 HydrophobicContact CD1-CB 3.74Å; S298-L300 PolarHBondContact O-N 2.92Å
301	H	90.5	Very high	70.4	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	28%	0.28	C	S	.	.			trans	-150.3	158	-173.9	57.1	-75.5	0	0	0	107.6	Y77 C78 R117 P152 G299	Y77-H301 AromaticContact CD2-CE1 3.57Å; Y77-H301 AromaticContact CD2-NE2 3.88Å; C78-H301 PolarHBondContact O-CE1 2.99Å; R117-H301 PolarHBondContact NH1-NE2 2.85Å; P152-H301 VanDerWaalsContact CG-O 3.27Å; P152-H301 WeakPolarHBondContact CG-O 3.29Å; G299-H301 PolarHBondContact O-ND1 3.4Å
302	Y	93.2	Very high	73.8	Confident	4 Å²	4	42.2 Å²	42.2	2%	0.016	27%	0.268	C	S	.	.			trans	-81.7	135.2	172.2	-58.7	-79.5	0	0	0	109	R117 S118 V121 V128 P154 F245 R247 L248	R117-Y302 CarbonylContact C-O 3.59Å; R117-Y302 WeakPolarHBondContact CA-O 3.18Å; S118-Y302 PolarHBondContact N-O 2.79Å; S118-Y302 PolarHBondContact OG-N 2.95Å; V121-Y302 HydrophobicContact CG2-CD2 3.97Å; V121-Y302 HydrophobicContact CG2-CE2 3.71Å; V128-Y302 HydrophobicContact CB-CD2 3.79Å; V128-Y302 HydrophobicContact CB-CE2 3.93Å; V128-Y302 HydrophobicContact CG1-CD2 4.31Å; V128-Y302 HydrophobicContact CG2-CD2 3.75Å; V128-Y302 HydrophobicContact CG2-CE2 3.77Å; P154-Y302 HydrophobicContact CB-CD1 4.46Å; P154-Y302 HydrophobicContact CB-CE1 4.16Å; F245-Y302 HydrophobicContact CB-CD1 3.83Å; F245-Y302 HydrophobicContact CB-CD2 4.22Å; F245-Y302 HydrophobicContact CB-CE1 3.41Å; F245-Y302 VanDerWaalsContact CB-CE1 3.41Å; F245-Y302 HydrophobicContact CB-CE2 3.81Å; F245-Y302 HydrophobicContact CB-CG 4.22Å; F245-Y302 HydrophobicContact CD1-CD1 4.04Å; F245-Y302 HydrophobicContact CD1-CE1 4.2Å; F245-Y302 HydrophobicContact CD2-CD1 4.23Å; F245-Y302 HydrophobicContact CD2-CD2 4.42Å; F245-Y302 HydrophobicContact CD2-CG 4.11Å; F245-Y302 AromaticContact CG-CD1 3.8Å; F245-Y302 HydrophobicContact CG-CD1 3.8Å; F245-Y302 AromaticContact CG-CE1 3.89Å; F245-Y302 HydrophobicContact CG-CE1 3.89Å; F245-Y302 HydrophobicContact CG-CG 4.13Å; R247-Y302 WeakPolarHBondContact CA-OH 3.48Å; R247-Y302 PolarHBondContact N-OH 2.82Å; L248-Y302 HydrophobicContact CD1-CE1 4.39Å; L248-Y302 HydrophobicContact CD2-CD1 3.38Å; L248-Y302 HydrophobicContact CD2-CE1 3.3Å; L248-Y302 HydrophobicContact CD2-CG 4.21Å; L248-Y302 HydrophobicContact CG-CD1 3.96Å; L248-Y302 HydrophobicContact CG-CE1 3.48Å; L248-Y302 VanDerWaalsContact CG-CE1 3.48Å; L248-Y302 HydrophobicContact CG-CE2 4.44Å
303	A	94.5	Very high	77.2	Confident	3 Å²	3	34.6 Å²	34.6	3%	0.025	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	124.3	176.9	0	0	0	0	0	111.1	W116 R117 C148 A151	W116-A303 VanDerWaalsContact O-CA 3.28Å; W116-A303 WeakPolarHBondContact O-CA 3.47Å; R117-A303 HydrophobicContact CG-CB 3.89Å; C148-A303 HydrophobicContact CB-CB 3.82Å; C148-A303 PolarHBondContact N-O 2.93Å; A151-A303 HydrophobicContact CB-CB 3.85Å
304	I	95.9	Very high	80.4	Confident	2 Å²	2	29 Å²	29	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	136.3	-171.3	-53.8	-65.3	0	0	0	108.2	L104 W116 L145 Q146 L147 C148 F245 D306	L104-I304 HydrophobicContact CD2-CB 3.59Å; L104-I304 HydrophobicContact CD2-CG2 3.5Å; L104-I304 VanDerWaalsContact CD2-CG2 3.5Å; W116-I304 HydrophobicContact CE3-CB 4Å; W116-I304 HydrophobicContact CE3-CG1 3.9Å; W116-I304 HydrophobicContact CZ3-CB 4.43Å; W116-I304 HydrophobicContact CZ3-CG1 3.82Å; W116-I304 PolarHBondContact N-O 3.32Å; W116-I304 PolarHBondContact O-N 3.16Å; L145-I304 HydrophobicContact CD2-CG2 4.29Å; Q146-I304 CarbonylContact O-C 3.35Å; Q146-I304 WeakPolarHBondContact O-CA 3.43Å; Q146-I304 WeakPolarHBondContact O-CG2 3.05Å; L147-I304 HydrophobicContact CD2-CD1 3.54Å; C148-I304 PolarHBondContact SG-N 2.99Å; F245-I304 HydrophobicContact CE1-CD1 4.45Å; F245-I304 HydrophobicContact CZ-CD1 4.02Å; F245-I304 HydrophobicContact CZ-CG1 4.1Å; I304-D306 WeakPolarHBondContact CG2-O 3.29Å
305	S	95.4	Very high	83.8	Confident	2 Å²	2	25.2 Å²	25.2	1%	0.014	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	-12.4	-176.1	48.8	0	0	0	0	114.7	V113 T114 Q146 L147	V113-S305 VanDerWaalsContact CG1-CB 3.42Å; T114-S305 WeakPolarHBondContact O-CA 3.5Å; T114-S305 WeakPolarHBondContact O-CB 3.06Å; Q146-S305 WeakPolarHBondContact CG-OG 3.36Å; Q146-S305 PolarHBondContact O-N 2.9Å; Q146-S305 PolarHBondContact O-OG 2.97Å; L147-S305 PolarHBondContact O-OG 2.03Å
306	D	95.9	Very high	87	Confident	15 Å²	15	19.6 Å²	19.6	8%	0.08	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	142.4	168.1	162.5	90.4	0	0	0	110	N108 L145 Q146 I304 S308	N108-D306 HydrophobicContact CB-CB 4.28Å; N108-D306 VanDerWaalsContact ND2-CB 3.32Å; N108-D306 WeakPolarHBondContact ND2-CB 3.43Å; L145-D306 CarbonylContact C-O 3.58Å; L145-D306 WeakPolarHBondContact CA-O 3.24Å; Q146-D306 HydrophobicContact CB-CB 3.89Å; Q146-D306 PolarHBondContact N-O 3.48Å; I304-D306 WeakPolarHBondContact CG2-O 3.29Å; D306-S308 VanDerWaalsContact CG-OG 3.27Å; D306-S308 PolarHBondContact OD1-OG 3.47Å; D306-S308 WeakPolarHBondContact OD2-CB 3.34Å; D306-S308 PolarHBondContact OD2-N 3Å; D306-S308 PolarHBondContact OD2-OG 3.43Å
307	F	97.1	Very high	90.1	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.09	C	C	.	.			trans	-126.3	64.1	173.2	-178.8	-172.4	0	0	0	109.8	A58 V63 L104 L130 L132 V143 I144 L145 I241 V243 V309	A58-F307 WeakPolarHBondContact CB-O 3.02Å; V63-F307 HydrophobicContact CG1-CD1 4.19Å; V63-F307 HydrophobicContact CG1-CE1 4.15Å; V63-F307 HydrophobicContact CG2-CD1 4.06Å; V63-F307 HydrophobicContact CG2-CE1 4.4Å; L104-F307 HydrophobicContact CB-CB 4.14Å; L104-F307 WeakPolarHBondContact O-CB 3.12Å; L104-F307 PolarHBondContact O-N 3.11Å; L130-F307 HydrophobicContact CB-CE1 4.19Å; L132-F307 HydrophobicContact CB-CE1 3.85Å; L132-F307 HydrophobicContact CB-CZ 4Å; L132-F307 HydrophobicContact CD2-CE1 4.35Å; L132-F307 HydrophobicContact CD2-CE2 4.44Å; L132-F307 HydrophobicContact CD2-CZ 4.14Å; V143-F307 HydrophobicContact CG1-CD2 4.5Å; V143-F307 HydrophobicContact CG1-CE2 3.93Å; I144-F307 CarbonylContact O-C 3.48Å; I144-F307 WeakPolarHBondContact O-CA 3.38Å; L145-F307 HydrophobicContact CD2-CB 3.87Å; L145-F307 HydrophobicContact CD2-CD1 4.41Å; L145-F307 HydrophobicContact CD2-CD2 3.46Å; L145-F307 VanDerWaalsContact CD2-CD2 3.46Å; L145-F307 HydrophobicContact CD2-CE2 4.15Å; L145-F307 HydrophobicContact CD2-CG 3.64Å; I241-F307 HydrophobicContact CB-CZ 4.39Å; I241-F307 HydrophobicContact CG2-CE2 4.14Å; I241-F307 HydrophobicContact CG2-CZ 3.92Å; V243-F307 HydrophobicContact CG2-CE1 4.49Å; V243-F307 HydrophobicContact CG2-CE2 4.19Å; V243-F307 HydrophobicContact CG2-CZ 3.96Å; F307-V309 HydrophobicContact CD2-CG2 4.11Å; F307-V309 HydrophobicContact CE2-CG2 3.72Å
308	S	96.7	Very high	92.7	Very high	16 Å²	16	11.9 Å²	11.9	11%	0.112	6%	0.064	C	C	.	.			trans	-67.8	129.8	176.6	-80.1	0	0	0	0	114.2	N56 I144 D306	N56-S308 PolarHBondContact ND2-OG 3.36Å; N56-S308 VanDerWaalsContact ND2-OG 3.15Å; N56-S308 WeakPolarHBondContact OD1-CA 3.48Å; I144-S308 PolarHBondContact N-O 3.41Å; I144-S308 PolarHBondContact O-N 3.47Å; D306-S308 VanDerWaalsContact CG-OG 3.27Å; D306-S308 PolarHBondContact OD1-OG 3.47Å; D306-S308 WeakPolarHBondContact OD2-CB 3.34Å; D306-S308 PolarHBondContact OD2-N 3Å; D306-S308 PolarHBondContact OD2-OG 3.43Å
309	V	98	Very high	94.7	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	96.5	172.8	175.9	0	0	0	0	109.4	N56 A57 A58 L132 L140 V143 I241 F307	N56-V309 CarbonylContact C-O 3.6Å; N56-V309 PolarHBondContact OD1-N 2.97Å; N56-V309 PolarHBondContact OD1-O 2.98Å; A57-V309 PolarHBondContact N-O 3.48Å; A58-V309 HydrophobicContact CB-CB 4.08Å; A58-V309 HydrophobicContact CB-CG2 4.18Å; L132-V309 HydrophobicContact CD2-CB 4.37Å; L132-V309 HydrophobicContact CD2-CG2 3.74Å; L140-V309 HydrophobicContact CD1-CG1 3.82Å; L140-V309 HydrophobicContact CD2-CG1 3.52Å; L140-V309 HydrophobicContact CG-CG1 4.3Å; V143-V309 HydrophobicContact CG1-CG2 4.27Å; V143-V309 HydrophobicContact CG2-CG2 4.35Å; I241-V309 HydrophobicContact CG1-CG1 4.45Å; F307-V309 HydrophobicContact CD2-CG2 4.11Å; F307-V309 HydrophobicContact CE2-CG2 3.72Å
310	G	97.5	Very high	95.8	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	126.8	-175.1	0	0	0	0	0	112.7	F54 T141 Y142	F54-G310 VanDerWaalsContact CZ-C 3.48Å; T141-G310 PolarHBondContact N-O 3.49Å; Y142-G310 VanDerWaalsContact CE2-CA 3.49Å; Y142-G310 VanDerWaalsContact CE2-N 3.28Å; Y142-G310 PolarHBondContact N-O 2.03Å; Y142-G310 VanDerWaalsContact N-O 3.13Å; Y142-G310 PolarHBondContact O-N 2.99Å
311	G	97.1	Very high	96.4	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.6	-169	177.7	0	0	0	0	0	114	V55 E139	V55-G311 PolarHBondContact N-O 2.03Å; V55-G311 PolarHBondContact O-N 3.45Å; V55-G311 VanDerWaalsContact O-N 3.08Å; E139-G311 VanDerWaalsContact O-CA 3.24Å; E139-G311 WeakPolarHBondContact O-CA 3.38Å
312	R	97.2	Very high	96.7	Very high	87 Å²	87	16.1 Å²	16.1	33%	0.328	8%	0.081	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	147.2	175	-64.7	-179.8	-176.1	-93.7	0.9	110.8	P52 F54 F138 E139 K314	P52-R312 WeakPolarHBondContact O-CD 3.35Å; P52-R312 PolarHBondContact O-NH1 2.9Å; F54-R312 HydrophobicContact CB-CG 4.36Å; F54-R312 HydrophobicContact CD2-CG 4.09Å; F138-R312 CarbonylContact C-O 3.55Å; F138-R312 VanDerWaalsContact CA-O 3.32Å; F138-R312 WeakPolarHBondContact CA-O 3.04Å; F138-R312 WeakPolarHBondContact CD1-O 3.09Å; E139-R312 PolarHBondContact N-O 3.08Å; E139-R312 PolarHBondContact O-N 2.03Å; R312-K314 PolarHBondContact O-N 2.8Å
313	C	97.3	Very high	96.7	Very high	9 Å²	9	18.1 Å²	18.1	6%	0.061	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	124	177	-168.2	0	0	0	0	109.9	P52 K136 F138 C315 C322	P52-C313 HydrophobicContact CB-CB 3.99Å; P52-C313 HydrophobicContact CG-CB 4.03Å; P52-C313 WeakPolarHBondContact CG-O 3.03Å; K136-C313 WeakPolarHBondContact CE-SG 3.37Å; F138-C313 HydrophobicContact CD1-CB 4.41Å; F138-C313 HydrophobicContact CE1-CB 4.02Å; F138-C313 HydrophobicContact CZ-CB 4.45Å; C313-C315 PolarHBondContact O-N 3.29Å; C313-C315 VanDerWaalsContact O-N 3.08Å; C313-C322 HydrophobicContact CB-CB 3.99Å; C313-C322 WeakPolarHBondContact CB-SG 3.41Å; C313-C322 WeakPolarHBondContact SG-CB 3.14Å; C313-C322 CovalentContact SG-SG 2.03Å; C313-C322 PolarHBondContact SG-SG 3.02Å
314	K	97.9	Very high	96.7	Very high	22 Å²	22	22.6 Å²	22.6	10%	0.096	12%	0.123	C	C	.	.			trans	-73.6	106.1	-169.3	-174.7	167	-179.5	122.7	0	111.9	K136 K137 E139 Q233 T237 R312 C332 D342	K136-K314 PolarHBondContact NZ-O 3.43Å; K137-K314 HydrophobicContact CB-CB 3.96Å; K137-K314 HydrophobicContact CB-CD 4.25Å; K137-K314 WeakPolarHBondContact O-CB 3.38Å; K137-K314 PolarHBondContact O-N 3.44Å; E139-K314 HydrophobicContact CG-CB 3.94Å; E139-K314 HydrophobicContact CG-CD 3.81Å; E139-K314 HydrophobicContact CG-CG 3.8Å; E139-K314 WeakPolarHBondContact OE1-CD 3.14Å; E139-K314 WeakPolarHBondContact OE1-CE 3.25Å; E139-K314 WeakPolarHBondContact OE1-CG 3.39Å; E139-K314 IonicContact OE1-NZ 3.07Å; E139-K314 PolarHBondContact OE1-NZ 2.81Å; Q233-K314 PolarHBondContact O-NZ 3.37Å; T237-K314 HydrophobicContact CG2-CD 4.06Å; T237-K314 PolarHBondContact OG1-NZ 3.47Å; R312-K314 PolarHBondContact O-N 2.8Å; K314-C332 PolarHBondContact O-SG 3.24Å; K314-D342 WeakPolarHBondContact O-CA 3.2Å; K314-D342 WeakPolarHBondContact O-CB 3.46Å
315	C	98.2	Very high	96.4	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.02	14%	0.138	C	C	.	.			trans	-126.3	14.4	179.1	-56	0	0	0	0	114.4	P52 C313 G317 H318 A319 C322 C332 D342	P52-C315 HydrophobicContact CG-CB 4.22Å; P52-C315 VanDerWaalsContact CG-SG 3.57Å; C313-C315 PolarHBondContact O-N 3.29Å; C313-C315 VanDerWaalsContact O-N 3.08Å; C315-G317 PolarHBondContact O-N 2.88Å; C315-H318 PolarHBondContact O-N 2.61Å; C315-A319 HydrophobicContact CB-CB 3.69Å; C315-C322 PolarHBondContact SG-SG 3.25Å; C315-C332 WeakPolarHBondContact CA-SG 3.34Å; C315-C332 HydrophobicContact CB-CB 3.83Å; C315-C332 WeakPolarHBondContact CB-SG 3.32Å; C315-C332 WeakPolarHBondContact SG-CB 3.49Å; C315-C332 CovalentContact SG-SG 2.03Å; C315-C332 PolarHBondContact SG-SG 3.11Å; C315-D342 CarbonylContact C-O 3.6Å; C315-D342 WeakPolarHBondContact CA-O 3.21Å
316	N	97.5	Very high	96.2	Very high	12 Å²	12	31 Å²	31	6%	0.064	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	26	176	-67.9	-61.5	0	0	0	115.4	H318 D342 W355 R357 A358	N316-H318 PolarHBondContact O-CD2 2.79Å; N316-H318 PolarHBondContact O-NE2 2.77Å; N316-D342 PolarHBondContact ND2-O 2.95Å; N316-W355 HydrophobicContact CB-CH2 4.21Å; N316-W355 HydrophobicContact CB-CZ2 3.77Å; N316-R357 HydrophobicContact CB-CB 4.49Å; N316-R357 HydrophobicContact CB-CG 3.94Å; N316-R357 WeakPolarHBondContact O-CG 3.32Å; N316-R357 PolarHBondContact OD1-NH1 2.91Å; N316-A358 PolarHBondContact O-N 3.5Å
317	G	97	Very high	95.9	Very high	3 Å²	3	34.8 Å²	34.8	3%	0.031	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	13.3	-178.8	0	0	0	0	0	115.2	C50 C315 H336 A358	C50-G317 PolarHBondContact N-O 2.88Å; C50-G317 CarbonylContact O-C 3.59Å; C50-G317 WeakPolarHBondContact O-CA 3.28Å; C315-G317 PolarHBondContact O-N 2.88Å; G317-H336 PolarHBondContact O-CE1 2.91Å; G317-H336 PolarHBondContact O-ND1 3.47Å; G317-A358 WeakPolarHBondContact O-CB 3Å
318	H	98.3	Very high	95.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-119.3	18.2	179.6	-40.5	-89.4	0	0	0	115	C50 C315 N316 S335 H336 T338 C343 W355 A356 A358 A363	C50-H318 PolarHBondContact O-N 2.92Å; C315-H318 PolarHBondContact O-N 2.61Å; N316-H318 PolarHBondContact O-CD2 2.79Å; N316-H318 PolarHBondContact O-NE2 2.77Å; H318-S335 PolarHBondContact O-N 2.74Å; H318-H336 WeakPolarHBondContact CA-ND1 3.33Å; H318-H336 HydrophobicContact CB-CB 4.03Å; H318-H336 AromaticContact CG-ND1 3.72Å; H318-H336 AromaticContact ND1-CG 3.8Å; H318-H336 AromaticContact ND1-ND1 3.29Å; H318-H336 PolarHBondContact ND1-ND1 2.83Å; H318-T338 HydrophobicContact CB-CG2 3.97Å; H318-T338 WeakPolarHBondContact CB-OG1 3.02Å; H318-C343 HydrophobicContact CB-CB 4.09Å; H318-W355 AromaticContact NE2-NE1 3.74Å; H318-A356 PolarHBondContact CE1-O 2.85Å; H318-A356 PolarHBondContact NE2-O 2.71Å; H318-A356 VanDerWaalsContact NE2-O 3.11Å; H318-A358 PolarHBondContact CE1-N 3.29Å; H318-A358 PolarHBondContact NE2-N 2.74Å; H318-A363 PolarHBondContact CE1-O 2.76Å; H318-A363 PolarHBondContact ND1-O 3.41Å
319	A	97.9	Very high	95.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	25%	0.252	C	S	.	.			trans	-149.3	138.6	167.5	0	0	0	0	0	111.2	C50 I51 P52 C315 C332 E333	C50-A319 CarbonylContact C-O 3.5Å; C50-A319 PolarHBondContact O-N 2.87Å; C50-A319 VanDerWaalsContact O-O 3.1Å; C50-A319 PolarHBondContact SG-N 3.4Å; I51-A319 CarbonylContact C-O 3.27Å; P52-A319 VanDerWaalsContact CD-O 3.24Å; P52-A319 WeakPolarHBondContact CD-O 3.2Å; C315-A319 HydrophobicContact CB-CB 3.69Å; A319-C332 HydrophobicContact CB-CB 3.86Å; A319-E333 WeakPolarHBondContact CB-O 3.32Å
320	S	96.6	Very high	95	Very high	26 Å²	26	42.6 Å²	42.6	18%	0.182	26%	0.263	C	S	.	.	S	Bend	trans	-81.4	-13.8	178.8	49.3	0	0	0	0	114.1	P52	P52-S320 WeakPolarHBondContact CA-O 3.42Å
321	K	95.7	Very high	94.9	Very high	102 Å²	102	44 Å²	44	44%	0.443	27%	0.27	S	S	.	.			trans	-159.5	169.9	-179.7	60	179.9	172.6	135.6	0	112	E333	K321-E333 WeakPolarHBondContact CE-OE1 3.36Å; K321-E333 WeakPolarHBondContact CE-OE2 3.2Å; K321-E333 HydrophobicContact CG-CB 4.46Å; K321-E333 IonicContact NZ-OE1 3.56Å; K321-E333 PolarHBondContact NZ-OE1 3.01Å; K321-E333 IonicContact NZ-OE2 2.8Å; K321-E333 PolarHBondContact NZ-OE2 3.32Å; K321-E333 PolarHBondContact O-N 3.11Å
322	C	95.7	Very high	95	Very high	32 Å²	32	44.6 Å²	44.6	22%	0.216	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	148.1	169.1	-71.9	0	0	0	0	110.5	C313 C315 L330 N331	C313-C322 HydrophobicContact CB-CB 3.99Å; C313-C322 WeakPolarHBondContact CB-SG 3.41Å; C313-C322 WeakPolarHBondContact SG-CB 3.14Å; C313-C322 CovalentContact SG-SG 2.03Å; C313-C322 PolarHBondContact SG-SG 3.02Å; C315-C322 PolarHBondContact SG-SG 3.25Å; C322-L330 HydrophobicContact CB-CD1 3.78Å; C322-L330 HydrophobicContact CB-CG 4.07Å; C322-N331 CarbonylContact C-O 3.38Å; C322-N331 WeakPolarHBondContact CA-O 3.42Å; C322-N331 VanDerWaalsContact CB-O 3.28Å; C322-N331 WeakPolarHBondContact CB-O 3.38Å
323	S	94.2	Very high	95	Very high	46 Å²	46	44.1 Å²	44.1	32%	0.322	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	154.9	175.6	50.7	0	0	0	0	111.3	N331 E333	S323-N331 PolarHBondContact N-O 3.21Å; S323-N331 PolarHBondContact O-N 2.97Å; S323-E333 VanDerWaalsContact CB-OE1 3.3Å; S323-E333 WeakPolarHBondContact CB-OE1 3.39Å; S323-E333 WeakPolarHBondContact OG-CG 3.43Å; S323-E333 PolarHBondContact OG-OE1 3.16Å
324	T	92.9	Very high	95	Very high	97 Å²	97	44.7 Å²	44.7	60%	0.595	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	127.4	176.7	48.1	0	0	0	0	110.3	L330	T324-L330 HydrophobicContact CG2-CD1 4.3Å
325	D	90.4	Very high	95	Very high	63 Å²	63	44.6 Å²	44.6	34%	0.337	28%	0.282	S	S	.	.			trans	-73.8	177.2	170.9	71.1	26.6	0	0	0	112.5	S327 G328 Q329 N331	D325-S327 PolarHBondContact O-N 2.83Å; D325-S327 WeakPolarHBondContact OD1-CA 3.5Å; D325-S327 WeakPolarHBondContact OD1-CB 3.24Å; D325-S327 PolarHBondContact OD1-N 2.65Å; D325-S327 PolarHBondContact OD1-OG 2.79Å; D325-G328 PolarHBondContact O-N 2.98Å; D325-G328 PolarHBondContact OD1-N 3.37Å; D325-Q329 PolarHBondContact N-O 3.35Å; D325-Q329 PolarHBondContact OD1-N 3.27Å; D325-Q329 VanDerWaalsContact OD1-N 3.11Å; D325-N331 PolarHBondContact OD2-ND2 3.17Å
326	A	91	Very high	95	Very high	119 Å²	119	44.6 Å²	44.6	98%	0.983	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-3.3	-179.7	0	0	0	0	0	114.9
327	S	90.6	Very high	95	Very high	93 Å²	93	46.7 Å²	46.7	65%	0.65	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	5.3	169.9	74.5	0	0	0	0	113.2	D325 Q329	D325-S327 PolarHBondContact O-N 2.83Å; D325-S327 WeakPolarHBondContact OD1-CA 3.5Å; D325-S327 WeakPolarHBondContact OD1-CB 3.24Å; D325-S327 PolarHBondContact OD1-N 2.65Å; D325-S327 PolarHBondContact OD1-OG 2.79Å; S327-Q329 VanDerWaalsContact C-N 3.27Å
328	G	87.8	Confident	95.1	Very high	57 Å²	57	46.5 Å²	46.5	59%	0.588	29%	0.291	S	S	*	.	S	Bend	trans	78.5	7.4	-173.3	0	0	0	0	0	113.7	D325	D325-G328 PolarHBondContact O-N 2.98Å; D325-G328 PolarHBondContact OD1-N 3.37Å
329	Q	90.9	Very high	95	Very high	79 Å²	79	47.7 Å²	47.7	37%	0.369	30%	0.301	S	S	.	.			trans	-88.9	118.1	-174.4	-176.9	163.3	112.3	0	0	111.2	D325 S327 N331 R341	D325-Q329 PolarHBondContact N-O 3.35Å; D325-Q329 PolarHBondContact OD1-N 3.27Å; D325-Q329 VanDerWaalsContact OD1-N 3.11Å; S327-Q329 VanDerWaalsContact C-N 3.27Å; Q329-N331 PolarHBondContact O-N 3.11Å; Q329-N331 PolarHBondContact O-ND2 3.36Å; Q329-R341 VanDerWaalsContact CD-CZ 3.44Å; Q329-R341 VanDerWaalsContact CG-CZ 3.46Å; Q329-R341 VanDerWaalsContact CG-NH2 3.27Å; Q329-R341 VanDerWaalsContact OE1-NE 3.07Å
330	L	93.2	Very high	95	Very high	45 Å²	45	48.7 Å²	48.7	24%	0.236	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	125.5	175.8	-172.7	69.3	0	0	0	111	K136 F138 C322 T324 R341	K136-L330 HydrophobicContact CB-CB 4.36Å; K136-L330 HydrophobicContact CB-CD2 4.31Å; K136-L330 HydrophobicContact CD-CD2 4.49Å; K136-L330 HydrophobicContact CD-CG 4.25Å; K136-L330 VanDerWaalsContact CD-O 3.25Å; K136-L330 WeakPolarHBondContact CD-O 3.3Å; F138-L330 HydrophobicContact CE2-CD2 4.19Å; F138-L330 HydrophobicContact CZ-CD2 3.89Å; C322-L330 HydrophobicContact CB-CD1 3.78Å; C322-L330 HydrophobicContact CB-CG 4.07Å; T324-L330 HydrophobicContact CG2-CD1 4.3Å; L330-R341 PolarHBondContact O-NH2 2.86Å
331	N	96.3	Very high	94.9	Very high	29 Å²	29	50 Å²	50	16%	0.155	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	161	-177.7	-66.1	-43.9	0	0	0	111.1	C322 S323 D325 Q329 R341	C322-N331 CarbonylContact C-O 3.38Å; C322-N331 WeakPolarHBondContact CA-O 3.42Å; C322-N331 VanDerWaalsContact CB-O 3.28Å; C322-N331 WeakPolarHBondContact CB-O 3.38Å; S323-N331 PolarHBondContact N-O 3.21Å; S323-N331 PolarHBondContact O-N 2.97Å; D325-N331 PolarHBondContact OD2-ND2 3.17Å; Q329-N331 PolarHBondContact O-N 3.11Å; Q329-N331 PolarHBondContact O-ND2 3.36Å; N331-R341 VanDerWaalsContact OD1-CG 3.32Å; N331-R341 WeakPolarHBondContact OD1-CG 3.39Å; N331-R341 PolarHBondContact OD1-NE 3.49Å
332	C	97.8	Very high	95	Very high	12 Å²	12	45.5 Å²	45.5	8%	0.081	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	140.8	171.4	-61.5	0	0	0	0	112.1	K136 K314 C315 A319 C334 R341 C343	K136-C332 WeakPolarHBondContact CE-SG 3.14Å; K136-C332 PolarHBondContact NZ-SG 3.16Å; K314-C332 PolarHBondContact O-SG 3.24Å; C315-C332 WeakPolarHBondContact CA-SG 3.34Å; C315-C332 HydrophobicContact CB-CB 3.83Å; C315-C332 WeakPolarHBondContact CB-SG 3.32Å; C315-C332 WeakPolarHBondContact SG-CB 3.49Å; C315-C332 CovalentContact SG-SG 2.03Å; C315-C332 PolarHBondContact SG-SG 3.11Å; A319-C332 HydrophobicContact CB-CB 3.86Å; C332-C334 PolarHBondContact O-N 3.3Å; C332-C334 VanDerWaalsContact O-N 3.15Å; C332-R341 PolarHBondContact N-O 3.48Å; C332-R341 PolarHBondContact SG-O 3.41Å; C332-C343 WeakPolarHBondContact CB-SG 3.11Å
333	E	97	Very high	95.1	Very high	78 Å²	78	44 Å²	44	36%	0.364	28%	0.283	S	S	.	.			trans	-83.4	84.3	168.9	-75.6	-178.7	-130.5	0	0	110.3	A319 K321 S323 S335	A319-E333 WeakPolarHBondContact CB-O 3.32Å; K321-E333 WeakPolarHBondContact CE-OE1 3.36Å; K321-E333 WeakPolarHBondContact CE-OE2 3.2Å; K321-E333 HydrophobicContact CG-CB 4.46Å; K321-E333 IonicContact NZ-OE1 3.56Å; K321-E333 PolarHBondContact NZ-OE1 3.01Å; K321-E333 IonicContact NZ-OE2 2.8Å; K321-E333 PolarHBondContact NZ-OE2 3.32Å; K321-E333 PolarHBondContact O-N 3.11Å; S323-E333 VanDerWaalsContact CB-OE1 3.3Å; S323-E333 WeakPolarHBondContact CB-OE1 3.39Å; S323-E333 WeakPolarHBondContact OG-CG 3.43Å; S323-E333 PolarHBondContact OG-OE1 3.16Å; E333-S335 PolarHBondContact O-N 3.04Å
334	C	97.7	Very high	95.2	Very high	21 Å²	21	45.4 Å²	45.4	14%	0.142	28%	0.284	C	S	.	.			trans	-73.4	111.9	-165.7	-61.5	0	0	0	0	115.8	C332 T338 C343 K347	C332-C334 PolarHBondContact O-N 3.3Å; C332-C334 VanDerWaalsContact O-N 3.15Å; C334-T338 WeakPolarHBondContact CB-O 3.42Å; C334-T338 WeakPolarHBondContact CB-OG1 3.33Å; C334-C343 VanDerWaalsContact CA-SG 3.5Å; C334-C343 HydrophobicContact CB-CB 4Å; C334-C343 WeakPolarHBondContact CB-SG 3.49Å; C334-C343 WeakPolarHBondContact SG-CA 3.27Å; C334-C343 WeakPolarHBondContact SG-CB 3.38Å; C334-C343 CovalentContact SG-SG 2.05Å; C334-C343 PolarHBondContact SG-SG 3.17Å; C334-K347 WeakPolarHBondContact O-CE 3.07Å; C334-K347 PolarHBondContact O-NZ 3.49Å
335	S	97.5	Very high	95.5	Very high	20 Å²	20	47.7 Å²	47.7	14%	0.14	28%	0.282	C	S	.	.			trans	-84.3	-165.3	167	-84.7	0	0	0	0	111.4	D38 H318 E333 N337 T338	D38-S335 PolarHBondContact OD2-OG 3.48Å; H318-S335 PolarHBondContact O-N 2.74Å; E333-S335 PolarHBondContact O-N 3.04Å; S335-N337 PolarHBondContact O-N 3.27Å; S335-T338 PolarHBondContact O-N 3.22Å; S335-T338 PolarHBondContact O-OG1 3.14Å
336	H	98.2	Very high	95.9	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.009	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	27.8	175.2	-55.2	152.7	0	0	0	115	C40 Y41 R48 G317 H318 T338 E365 C366	C40-H336 PolarHBondContact O-NE2 2.86Å; Y41-H336 PolarHBondContact OH-N 2.94Å; R48-H336 PolarHBondContact O-CE1 3.17Å; R48-H336 PolarHBondContact O-NE2 3.21Å; R48-H336 VanDerWaalsContact O-NE2 3.16Å; G317-H336 PolarHBondContact O-CE1 2.91Å; G317-H336 PolarHBondContact O-ND1 3.47Å; H318-H336 WeakPolarHBondContact CA-ND1 3.33Å; H318-H336 HydrophobicContact CB-CB 4.03Å; H318-H336 AromaticContact CG-ND1 3.72Å; H318-H336 AromaticContact ND1-CG 3.8Å; H318-H336 AromaticContact ND1-ND1 3.29Å; H318-H336 PolarHBondContact ND1-ND1 2.83Å; H336-T338 HydrophobicContact CB-CG2 4.27Å; H336-T338 PolarHBondContact O-N 3.19Å; H336-T338 VanDerWaalsContact O-N 3.17Å; H336-E365 HydrophobicContact CB-CB 3.62Å; H336-E365 WeakPolarHBondContact O-CA 3.37Å; H336-E365 WeakPolarHBondContact O-CB 3.05Å; H336-C366 PolarHBondContact O-N 3.46Å
337	N	98.1	Very high	96.2	Very high	56 Å²	56	43 Å²	43	30%	0.299	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	30.5	-171.5	-59.5	-36.9	0	0	0	114.7	S335 K347 H350 C366	S335-N337 PolarHBondContact O-N 3.27Å; N337-K347 WeakPolarHBondContact O-CB 3.23Å; N337-K347 WeakPolarHBondContact O-CG 3.41Å; N337-K347 PolarHBondContact O-N 2.86Å; N337-H350 HydrophobicContact CB-CB 4.25Å; N337-H350 VanDerWaalsContact CG-CD2 3.42Å; N337-H350 PolarHBondContact ND2-CD2 3.34Å; N337-C366 HydrophobicContact CB-CB 3.94Å; N337-C366 VanDerWaalsContact CB-O 3.29Å; N337-C366 WeakPolarHBondContact CB-O 3.49Å; N337-C366 PolarHBondContact ND2-O 3.22Å; N337-C366 WeakPolarHBondContact O-CB 3.28Å
338	T	98.6	Very high	96.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	161.3	176.5	62.8	0	0	0	0	112.6	H318 C334 S335 H336 C343 R345 K347	H318-T338 HydrophobicContact CB-CG2 3.97Å; H318-T338 WeakPolarHBondContact CB-OG1 3.02Å; C334-T338 WeakPolarHBondContact CB-O 3.42Å; C334-T338 WeakPolarHBondContact CB-OG1 3.33Å; S335-T338 PolarHBondContact O-N 3.22Å; S335-T338 PolarHBondContact O-OG1 3.14Å; H336-T338 HydrophobicContact CB-CG2 4.27Å; H336-T338 PolarHBondContact O-N 3.19Å; H336-T338 VanDerWaalsContact O-N 3.17Å; T338-C343 WeakPolarHBondContact OG1-CB 3.21Å; T338-R345 CarbonylContact C-O 3.53Å; T338-R345 VanDerWaalsContact CA-O 3.27Å; T338-R345 WeakPolarHBondContact CA-O 3.47Å; T338-K347 WeakPolarHBondContact O-CE 3.36Å; T338-K347 WeakPolarHBondContact O-CG 3.36Å
339	A	97.8	Very high	97	Very high	24 Å²	24	42.4 Å²	42.4	20%	0.198	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	172.1	-176.7	0	0	0	0	0	110.5	C343 E344 R345 K347	A339-C343 CarbonylContact O-C 3.4Å; A339-C343 WeakPolarHBondContact O-CA 3.11Å; A339-E344 PolarHBondContact O-N 2.86Å; A339-R345 PolarHBondContact N-O 3.14Å; A339-R345 WeakPolarHBondContact O-CG 3.3Å; A339-R345 PolarHBondContact O-N 3.47Å; A339-K347 HydrophobicContact CB-CG 3.95Å
340	G	96.2	Very high	97.4	Very high	21 Å²	21	40.2 Å²	40.2	22%	0.216	21%	0.207	C	C	.	.	S	Bend	trans	103.1	177.4	-171.9	0	0	0	0	0	111.9	E344	G340-E344 VanDerWaalsContact C-OE2 3.28Å; G340-E344 WeakPolarHBondContact CA-OE1 3.28Å; G340-E344 VanDerWaalsContact CA-OE2 3.31Å; G340-E344 WeakPolarHBondContact CA-OE2 3.41Å
341	R	95.7	Very high	97.6	Very high	53 Å²	53	41.4 Å²	41.4	20%	0.2	21%	0.211	C	C	.	.	S	Bend	trans	-74	-32.2	-178.5	-69.9	-164.6	66.2	-157.5	-2.9	112.1	G135 K136 Q329 L330 N331 C332 E344	G135-R341 PolarHBondContact O-NH1 2.98Å; G135-R341 PolarHBondContact O-NH2 2.96Å; K136-R341 PolarHBondContact NZ-O 3.24Å; Q329-R341 VanDerWaalsContact CD-CZ 3.44Å; Q329-R341 VanDerWaalsContact CG-CZ 3.46Å; Q329-R341 VanDerWaalsContact CG-NH2 3.27Å; Q329-R341 VanDerWaalsContact OE1-NE 3.07Å; L330-R341 PolarHBondContact O-NH2 2.86Å; N331-R341 VanDerWaalsContact OD1-CG 3.32Å; N331-R341 WeakPolarHBondContact OD1-CG 3.39Å; N331-R341 PolarHBondContact OD1-NE 3.49Å; C332-R341 PolarHBondContact N-O 3.48Å; C332-R341 PolarHBondContact SG-O 3.41Å; R341-E344 PolarHBondContact N-OE2 2.93Å
342	D	97.4	Very high	97.7	Very high	9 Å²	9	40.8 Å²	40.8	5%	0.048	21%	0.208	C	C	.	.	S	Bend	trans	-111.9	14.9	-176.3	-47.7	-44.8	0	0	0	111.5	K136 K137 K314 C315 N316 E344	K136-D342 IonicContact NZ-OD1 3.59Å; K136-D342 PolarHBondContact NZ-OD1 2.93Å; K137-D342 WeakPolarHBondContact CD-OD2 3.49Å; K137-D342 WeakPolarHBondContact CE-OD2 3.04Å; K137-D342 IonicContact NZ-OD2 2.63Å; K137-D342 PolarHBondContact NZ-OD2 2.95Å; K314-D342 WeakPolarHBondContact O-CA 3.2Å; K314-D342 WeakPolarHBondContact O-CB 3.46Å; C315-D342 CarbonylContact C-O 3.6Å; C315-D342 WeakPolarHBondContact CA-O 3.21Å; N316-D342 PolarHBondContact ND2-O 2.95Å; D342-E344 WeakPolarHBondContact CA-OE2 3.35Å; D342-E344 HydrophobicContact CB-CB 4.4Å; D342-E344 PolarHBondContact N-OE2 2.93Å; D342-E344 PolarHBondContact O-N 3.01Å
343	C	98.3	Very high	97.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	56.9	30.8	-169.1	-51.7	0	0	0	0	113.8	H318 C332 C334 T338 A339 R345 W355	H318-C343 HydrophobicContact CB-CB 4.09Å; C332-C343 WeakPolarHBondContact CB-SG 3.11Å; C334-C343 VanDerWaalsContact CA-SG 3.5Å; C334-C343 HydrophobicContact CB-CB 4Å; C334-C343 WeakPolarHBondContact CB-SG 3.49Å; C334-C343 WeakPolarHBondContact SG-CA 3.27Å; C334-C343 WeakPolarHBondContact SG-CB 3.38Å; C334-C343 CovalentContact SG-SG 2.05Å; C334-C343 PolarHBondContact SG-SG 3.17Å; T338-C343 WeakPolarHBondContact OG1-CB 3.21Å; A339-C343 CarbonylContact O-C 3.4Å; A339-C343 WeakPolarHBondContact O-CA 3.11Å; C343-R345 VanDerWaalsContact C-N 3.27Å; C343-R345 PolarHBondContact O-N 3.08Å; C343-W355 PolarHBondContact O-NE1 3.05Å
344	E	96.8	Very high	97.7	Very high	75 Å²	75	41.8 Å²	41.8	35%	0.35	21%	0.213	S	C	.	.			trans	-79.2	9.1	-167.4	74.8	-70.9	165.6	0	0	116.3	A339 G340 R341 D342	A339-E344 PolarHBondContact O-N 2.86Å; G340-E344 VanDerWaalsContact C-OE2 3.28Å; G340-E344 WeakPolarHBondContact CA-OE1 3.28Å; G340-E344 VanDerWaalsContact CA-OE2 3.31Å; G340-E344 WeakPolarHBondContact CA-OE2 3.41Å; R341-E344 PolarHBondContact N-OE2 2.93Å; D342-E344 WeakPolarHBondContact CA-OE2 3.35Å; D342-E344 HydrophobicContact CB-CB 4.4Å; D342-E344 PolarHBondContact N-OE2 2.93Å; D342-E344 PolarHBondContact O-N 3.01Å
345	R	97.9	Very high	97.7	Very high	145 Å²	145	44.8 Å²	44.8	55%	0.547	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	164.4	-177.5	54.4	177.4	179.1	-176.2	1.4	111	T338 A339 C343	T338-R345 CarbonylContact C-O 3.53Å; T338-R345 VanDerWaalsContact CA-O 3.27Å; T338-R345 WeakPolarHBondContact CA-O 3.47Å; A339-R345 PolarHBondContact N-O 3.14Å; A339-R345 WeakPolarHBondContact O-CG 3.3Å; A339-R345 PolarHBondContact O-N 3.47Å; C343-R345 VanDerWaalsContact C-N 3.27Å; C343-R345 PolarHBondContact O-N 3.08Å
346	C	98.6	Very high	97.6	Very high	11 Å²	11	45.7 Å²	45.7	7%	0.074	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	150.1	172.5	-60.6	0	0	0	0	113.4	H350 F351 C366	C346-H350 HydrophobicContact CB-CB 4.37Å; C346-H350 WeakPolarHBondContact CB-O 3.25Å; C346-H350 PolarHBondContact SG-O 3.2Å; C346-H350 VanDerWaalsContact SG-O 3.35Å; C346-F351 HydrophobicContact CB-CD1 3.87Å; C346-F351 HydrophobicContact CB-CE1 3.84Å; C346-C366 WeakPolarHBondContact CA-SG 3.45Å; C346-C366 HydrophobicContact CB-CB 3.5Å; C346-C366 VanDerWaalsContact CB-CB 3.5Å; C346-C366 WeakPolarHBondContact CB-SG 3.49Å; C346-C366 WeakPolarHBondContact SG-CB 3.39Å; C346-C366 CovalentContact SG-SG 2.03Å; C346-C366 PolarHBondContact SG-SG 2.81Å
347	K	98.3	Very high	97.5	Very high	73 Å²	73	46.9 Å²	46.9	32%	0.317	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-58.3	151.4	165.4	-73	177.4	-162.2	-177.9	0	109.3	C334 N337 T338 A339 H350	C334-K347 WeakPolarHBondContact O-CE 3.07Å; C334-K347 PolarHBondContact O-NZ 3.49Å; N337-K347 WeakPolarHBondContact O-CB 3.23Å; N337-K347 WeakPolarHBondContact O-CG 3.41Å; N337-K347 PolarHBondContact O-N 2.86Å; T338-K347 WeakPolarHBondContact O-CE 3.36Å; T338-K347 WeakPolarHBondContact O-CG 3.36Å; A339-K347 HydrophobicContact CB-CG 3.95Å; K347-H350 WeakPolarHBondContact O-CB 3.48Å; K347-H350 PolarHBondContact O-N 3.26Å; K347-H350 VanDerWaalsContact O-N 3.11Å
348	P	97.3	Very high	97.5	Very high	104 Å²	104	44.2 Å²	44.2	68%	0.675	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.3	145.2	172.4	-27.5	35.6	0	0	0	112.1	H350	P348-H350 PolarHBondContact O-N 2.91Å; P348-H350 VanDerWaalsContact O-N 3.15Å; P348-H350 PolarHBondContact O-ND1 3.11Å
349	F	98.1	Very high	97.2	Very high	33 Å²	33	45.9 Å²	45.9	15%	0.145	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	-4.2	-177.1	-155.2	-122.4	0	0	0	116.1	F351 E368 C369 C371 C378	F349-F351 PolarHBondContact O-N 3.47Å; F349-E368 HydrophobicContact CD1-CG 3.65Å; F349-E368 WeakPolarHBondContact CD1-OE1 3.38Å; F349-E368 HydrophobicContact CE1-CG 3.86Å; F349-E368 VanDerWaalsContact CE1-OE1 3.22Å; F349-E368 WeakPolarHBondContact CE1-OE1 3.24Å; F349-C369 HydrophobicContact CD2-CB 4.35Å; F349-C369 HydrophobicContact CE2-CB 4.17Å; F349-C369 HydrophobicContact CZ-CB 4.4Å; F349-C369 PolarHBondContact O-N 2.75Å; F349-C369 PolarHBondContact O-SG 3.28Å; F349-C369 VanDerWaalsContact O-SG 3.41Å; F349-C371 HydrophobicContact CE2-CB 4.29Å; F349-C371 HydrophobicContact CZ-CB 3.87Å; F349-C378 HydrophobicContact CD2-CB 4.18Å; F349-C378 HydrophobicContact CE2-CB 4.25Å; F349-C378 PolarHBondContact O-SG 3.48Å
350	H	98.5	Very high	96.8	Very high	33 Å²	33	49.2 Å²	49.2	15%	0.153	26%	0.258	C	S	.	.			trans	-100.8	52	177.1	-61.4	73.3	0	0	0	111.8	N337 C346 K347 P348 C366 K367	N337-H350 HydrophobicContact CB-CB 4.25Å; N337-H350 VanDerWaalsContact CG-CD2 3.42Å; N337-H350 PolarHBondContact ND2-CD2 3.34Å; C346-H350 HydrophobicContact CB-CB 4.37Å; C346-H350 WeakPolarHBondContact CB-O 3.25Å; C346-H350 PolarHBondContact SG-O 3.2Å; C346-H350 VanDerWaalsContact SG-O 3.35Å; K347-H350 WeakPolarHBondContact O-CB 3.48Å; K347-H350 PolarHBondContact O-N 3.26Å; K347-H350 VanDerWaalsContact O-N 3.11Å; P348-H350 PolarHBondContact O-N 2.91Å; P348-H350 VanDerWaalsContact O-N 3.15Å; P348-H350 PolarHBondContact O-ND1 3.11Å; H350-C366 HydrophobicContact CB-CB 3.82Å; H350-K367 CarbonylContact C-O 3.56Å; H350-K367 WeakPolarHBondContact CA-O 3.24Å
351	F	97.9	Very high	96.5	Very high	70 Å²	70	57.9 Å²	57.9	31%	0.307	29%	0.29	S	S	.	.			trans	-113.7	30.8	-173.9	-52.8	-54.5	0	0	0	112.9	C346 F349 K367 C378 F380	C346-F351 HydrophobicContact CB-CD1 3.87Å; C346-F351 HydrophobicContact CB-CE1 3.84Å; F349-F351 PolarHBondContact O-N 3.47Å; F351-K367 PolarHBondContact N-O 3.34Å; F351-C378 WeakPolarHBondContact CD2-O 3.44Å; F351-F380 HydrophobicContact CB-CB 4.43Å; F351-F380 WeakPolarHBondContact O-CA 3.31Å
352	D	98.1	Very high	96.4	Very high	17 Å²	17	61 Å²	61	9%	0.091	31%	0.307	C	S	.	.	S	Bend	trans	-79.4	-30.7	-179.3	-156.4	59.4	0	0	0	113.2	K367 S392 G393 G394 R406	D352-K367 HydrophobicContact CB-CB 4.13Å; D352-K367 PolarHBondContact N-O 3.28Å; D352-S392 PolarHBondContact OD1-OG 2.67Å; D352-S392 VanDerWaalsContact OD1-OG 3.07Å; D352-S392 WeakPolarHBondContact OD2-CA 3.27Å; D352-S392 WeakPolarHBondContact OD2-CB 3.35Å; D352-S392 PolarHBondContact OD2-OG 3.44Å; D352-G393 WeakPolarHBondContact O-CA 3.48Å; D352-G393 PolarHBondContact O-N 2.93Å; D352-G394 PolarHBondContact O-N 3.15Å; D352-G394 WeakPolarHBondContact OD1-CA 3.31Å; D352-G394 PolarHBondContact OD1-N 3.32Å; D352-R406 IonicContact OD1-NH2 2.85Å
353	R	97	Very high	96.3	Very high	60 Å²	60	61.1 Å²	61.1	23%	0.226	31%	0.308	C	S	.	.	S	Bend	trans	-125.2	164.3	167.8	69.7	175.7	179.7	-178.5	-1.4	111.1	E365 K367 F385	R353-E365 VanDerWaalsContact CZ-O 3.31Å; R353-E365 IonicContact CZ-OE2 3.44Å; R353-E365 PolarHBondContact NE-O 3.11Å; R353-E365 PolarHBondContact NH2-O 3.18Å; R353-E365 IonicContact NH2-OE1 3.02Å; R353-E365 PolarHBondContact NH2-OE1 3.19Å; R353-E365 IonicContact NH2-OE2 3.09Å; R353-E365 PolarHBondContact NH2-OE2 3.03Å; R353-K367 HydrophobicContact CG-CB 4.4Å; R353-K367 HydrophobicContact CG-CG 4.07Å; R353-F385 HydrophobicContact CB-CD2 4.41Å; R353-F385 HydrophobicContact CB-CE2 3.55Å; R353-F385 HydrophobicContact CB-CZ 4.05Å
354	P	96.8	Very high	96.3	Very high	51 Å²	51	62.4 Å²	62.4	33%	0.331	32%	0.316	S	S	.	.			trans	-57.8	156.3	172.1	-22.6	34.3	0	0	0	112.3	F380 F385	P354-F380 HydrophobicContact CG-CE1 4.06Å; P354-F380 HydrophobicContact CG-CE2 4.07Å; P354-F380 HydrophobicContact CG-CZ 3.58Å; P354-F385 VanDerWaalsContact CD-CZ 3.42Å; P354-F385 HydrophobicContact CG-CD1 4.28Å; P354-F385 HydrophobicContact CG-CE1 3.93Å; P354-F385 HydrophobicContact CG-CZ 4.23Å
355	W	98.1	Very high	96.3	Very high	84 Å²	84	60.2 Å²	60.2	32%	0.318	31%	0.305	S	S	.	.			trans	-75	140.9	163.8	176.3	89.6	0	0	0	109.6	N316 H318 C343 R357	N316-W355 HydrophobicContact CB-CH2 4.21Å; N316-W355 HydrophobicContact CB-CZ2 3.77Å; H318-W355 AromaticContact NE2-NE1 3.74Å; C343-W355 PolarHBondContact O-NE1 3.05Å; W355-R357 HydrophobicContact CH2-CB 4.36Å
356	A	96.1	Very high	96.3	Very high	39 Å²	39	53.3 Å²	53.3	32%	0.322	28%	0.279	S	S	.	.			trans	-146.2	153.8	168.9	0	0	0	0	0	109.5	H318 N364	H318-A356 PolarHBondContact CE1-O 2.85Å; H318-A356 PolarHBondContact NE2-O 2.71Å; H318-A356 VanDerWaalsContact NE2-O 3.11Å; A356-N364 HydrophobicContact CB-CB 4.08Å; A356-N364 WeakPolarHBondContact O-CB 3.28Å
357	R	96.7	Very high	96.3	Very high	26 Å²	26	57.1 Å²	57.1	10%	0.098	30%	0.295	C	S	.	.			trans	-60.6	141.5	173.6	-171.5	-169.8	173.4	99.1	-7.4	110	E139 Q233 N316 W355 N364	E139-R357 IonicContact OE1-CZ 3.62Å; E139-R357 IonicContact OE1-NH1 2.96Å; E139-R357 PolarHBondContact OE1-NH1 3.28Å; E139-R357 IonicContact OE1-NH2 3.6Å; E139-R357 PolarHBondContact OE1-NH2 2.61Å; E139-R357 IonicContact OE2-CZ 3.03Å; E139-R357 IonicContact OE2-NH1 3.32Å; E139-R357 PolarHBondContact OE2-NH1 3.24Å; E139-R357 IonicContact OE2-NH2 2.68Å; E139-R357 PolarHBondContact OE2-NH2 2.74Å; Q233-R357 VanDerWaalsContact OE1-CD 3.26Å; N316-R357 HydrophobicContact CB-CB 4.49Å; N316-R357 HydrophobicContact CB-CG 3.94Å; N316-R357 WeakPolarHBondContact O-CG 3.32Å; N316-R357 PolarHBondContact OD1-NH1 2.91Å; W355-R357 HydrophobicContact CH2-CB 4.36Å; R357-N364 PolarHBondContact O-ND2 3.5Å
358	A	96.5	Very high	96.3	Very high	1 Å²	1	59.4 Å²	59.4	1%	0.008	31%	0.306	C	S	.	.			trans	-69.9	146.6	169.2	0	0	0	0	0	111.1	A49 N316 G317 H318 E362 A363	A49-A358 HydrophobicContact CB-CB 3.78Å; N316-A358 PolarHBondContact O-N 3.5Å; G317-A358 WeakPolarHBondContact O-CB 3Å; H318-A358 PolarHBondContact CE1-N 3.29Å; H318-A358 PolarHBondContact NE2-N 2.74Å; A358-E362 CarbonylContact C-O 3.56Å; A358-E362 WeakPolarHBondContact CA-O 3.46Å; A358-A363 VanDerWaalsContact CB-O 3.29Å; A358-A363 WeakPolarHBondContact CB-O 3.39Å
359	T	93.4	Very high	96.3	Very high	34 Å²	34	54.6 Å²	54.6	21%	0.209	28%	0.275	C	S	.	.			trans	-123.7	167.1	177.3	66.7	0	0	0	0	109.9	A49 D227 K361 E362	A49-T359 WeakPolarHBondContact CB-O 3.43Å; D227-T359 WeakPolarHBondContact OD2-CA 3.09Å; T359-K361 PolarHBondContact O-N 3.19Å; T359-K361 PolarHBondContact OG1-N 3.22Å; T359-E362 PolarHBondContact N-O 2.84Å; T359-E362 PolarHBondContact O-N 2.05Å; T359-E362 PolarHBondContact OG1-N 3.22Å
360	A	88.6	Confident	96.3	Very high	94 Å²	94	57.2 Å²	57.2	78%	0.777	29%	0.291	S	S	*	.	S	Bend	trans	-52.7	-18	171	0	0	0	0	0	115.5	D227	D227-A360 PolarHBondContact OD2-N 3.27Å
361	K	90.1	Very high	96.3	Very high	203 Å²	203	55.8 Å²	55.8	88%	0.883	28%	0.284	S	S	*	.	S	Bend	trans	-102.7	-35.6	176.9	-64.3	-174.9	-179.7	-178.3	0	114	T359	T359-K361 PolarHBondContact O-N 3.19Å; T359-K361 PolarHBondContact OG1-N 3.22Å
362	E	93.8	Very high	96.3	Very high	120 Å²	120	53.7 Å²	53.7	56%	0.561	28%	0.276	S	S	*	.			trans	-134.9	124.3	-169.1	-64.7	-176.8	157.6	0	0	111.6	A358 T359 N364	A358-E362 CarbonylContact C-O 3.56Å; A358-E362 WeakPolarHBondContact CA-O 3.46Å; T359-E362 PolarHBondContact N-O 2.84Å; T359-E362 PolarHBondContact O-N 2.05Å; T359-E362 PolarHBondContact OG1-N 3.22Å; E362-N364 PolarHBondContact O-N 2.98Å
363	A	96.4	Very high	96.3	Very high	10 Å²	10	61.1 Å²	61.1	8%	0.083	31%	0.308	C	S	.	.			trans	-70.1	-16.8	-179.8	0	0	0	0	0	114.8	P47 H318 A358 E365	P47-A363 HydrophobicContact CB-CB 3.52Å; P47-A363 WeakPolarHBondContact O-CB 3.31Å; H318-A363 PolarHBondContact CE1-O 2.76Å; H318-A363 PolarHBondContact ND1-O 3.41Å; A358-A363 VanDerWaalsContact CB-O 3.29Å; A358-A363 WeakPolarHBondContact CB-O 3.39Å; A363-E365 PolarHBondContact O-N 2.76Å; A363-E365 VanDerWaalsContact O-N 3.11Å
364	N	96.8	Very high	96.4	Very high	28 Å²	28	58.4 Å²	58.4	15%	0.15	30%	0.297	C	S	.	.			trans	46	41.2	178	-74	-36.4	0	0	0	115	A356 R357 E362	A356-N364 HydrophobicContact CB-CB 4.08Å; A356-N364 WeakPolarHBondContact O-CB 3.28Å; R357-N364 PolarHBondContact O-ND2 3.5Å; E362-N364 PolarHBondContact O-N 2.98Å
365	E	97.9	Very high	96.5	Very high	28 Å²	28	56.3 Å²	56.3	13%	0.131	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-69.8	147.6	-179	82.5	-70.8	177.9	0	0	113	P47 H336 R353 A363 K367	P47-E365 HydrophobicContact CB-CB 4.36Å; P47-E365 HydrophobicContact CB-CG 4.35Å; P47-E365 HydrophobicContact CG-CB 4.36Å; P47-E365 HydrophobicContact CG-CG 3.92Å; H336-E365 HydrophobicContact CB-CB 3.62Å; H336-E365 WeakPolarHBondContact O-CA 3.37Å; H336-E365 WeakPolarHBondContact O-CB 3.05Å; R353-E365 VanDerWaalsContact CZ-O 3.31Å; R353-E365 IonicContact CZ-OE2 3.44Å; R353-E365 PolarHBondContact NE-O 3.11Å; R353-E365 PolarHBondContact NH2-O 3.18Å; R353-E365 IonicContact NH2-OE1 3.02Å; R353-E365 PolarHBondContact NH2-OE1 3.19Å; R353-E365 IonicContact NH2-OE2 3.09Å; R353-E365 PolarHBondContact NH2-OE2 3.03Å; A363-E365 PolarHBondContact O-N 2.76Å; A363-E365 VanDerWaalsContact O-N 3.11Å; E365-K367 PolarHBondContact O-N 2.88Å; E365-K367 WeakPolarHBondContact OE1-CE 3.49Å; E365-K367 IonicContact OE1-NZ 3.49Å; E365-K367 PolarHBondContact OE1-NZ 2.67Å
366	C	98.5	Very high	96.4	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-76.9	126.9	179.5	-66	0	0	0	0	111.2	H336 N337 C346 H350	H336-C366 PolarHBondContact O-N 3.46Å; N337-C366 HydrophobicContact CB-CB 3.94Å; N337-C366 VanDerWaalsContact CB-O 3.29Å; N337-C366 WeakPolarHBondContact CB-O 3.49Å; N337-C366 PolarHBondContact ND2-O 3.22Å; N337-C366 WeakPolarHBondContact O-CB 3.28Å; C346-C366 WeakPolarHBondContact CA-SG 3.45Å; C346-C366 HydrophobicContact CB-CB 3.5Å; C346-C366 VanDerWaalsContact CB-CB 3.5Å; C346-C366 WeakPolarHBondContact CB-SG 3.49Å; C346-C366 WeakPolarHBondContact SG-CB 3.39Å; C346-C366 CovalentContact SG-SG 2.03Å; C346-C366 PolarHBondContact SG-SG 2.81Å; H350-C366 HydrophobicContact CB-CB 3.82Å
367	K	97.8	Very high	96.5	Very high	92 Å²	92	65.3 Å²	65.3	40%	0.4	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-91.7	135.7	-176.5	-61.8	-66.6	-161	-177.6	0	111.5	H350 F351 D352 R353 E365	H350-K367 CarbonylContact C-O 3.56Å; H350-K367 WeakPolarHBondContact CA-O 3.24Å; F351-K367 PolarHBondContact N-O 3.34Å; D352-K367 HydrophobicContact CB-CB 4.13Å; D352-K367 PolarHBondContact N-O 3.28Å; R353-K367 HydrophobicContact CG-CB 4.4Å; R353-K367 HydrophobicContact CG-CG 4.07Å; E365-K367 PolarHBondContact O-N 2.88Å; E365-K367 WeakPolarHBondContact OE1-CE 3.49Å; E365-K367 IonicContact OE1-NZ 3.49Å; E365-K367 PolarHBondContact OE1-NZ 2.67Å
368	E	97.8	Very high	96.5	Very high	121 Å²	121	64.5 Å²	64.5	57%	0.565	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-64.9	137.8	176.9	-166.7	-176	-176.2	0	0	111.5	F349 N370	F349-E368 HydrophobicContact CD1-CG 3.65Å; F349-E368 WeakPolarHBondContact CD1-OE1 3.38Å; F349-E368 HydrophobicContact CE1-CG 3.86Å; F349-E368 VanDerWaalsContact CE1-OE1 3.22Å; F349-E368 WeakPolarHBondContact CE1-OE1 3.24Å; E368-N370 PolarHBondContact O-N 3.36Å
369	C	98.2	Very high	96.6	Very high	3 Å²	3	69.3 Å²	69.3	2%	0.02	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-69.9	119.3	176.3	-70.3	0	0	0	0	112.3	F349 C371 C378	F349-C369 HydrophobicContact CD2-CB 4.35Å; F349-C369 HydrophobicContact CE2-CB 4.17Å; F349-C369 HydrophobicContact CZ-CB 4.4Å; F349-C369 PolarHBondContact O-N 2.75Å; F349-C369 PolarHBondContact O-SG 3.28Å; F349-C369 VanDerWaalsContact O-SG 3.41Å; C369-C371 PolarHBondContact O-N 3.47Å; C369-C378 HydrophobicContact CB-CB 3.45Å; C369-C378 VanDerWaalsContact CB-CB 3.45Å; C369-C378 WeakPolarHBondContact CB-SG 2.8Å; C369-C378 WeakPolarHBondContact SG-CB 3.4Å; C369-C378 CovalentContact SG-SG 2.03Å; C369-C378 PolarHBondContact SG-SG 2.86Å
370	N	98	Very high	96.8	Very high	88 Å²	88	70.3 Å²	70.3	47%	0.471	33%	0.333	S	S	.	.			trans	-68.9	95.8	174.3	-176.9	-1	0	0	0	111.9	E368 N372 C396 N407	E368-N370 PolarHBondContact O-N 3.36Å; N370-N372 PolarHBondContact OD1-N 3.04Å; N370-C396 PolarHBondContact O-SG 3.46Å; N370-N407 WeakPolarHBondContact O-CA 3.48Å; N370-N407 WeakPolarHBondContact O-CB 3.12Å; N370-N407 VanDerWaalsContact O-CG 3.28Å
371	C	98.5	Very high	97.2	Very high	3 Å²	3	67.3 Å²	67.3	2%	0.02	30%	0.303	C	S	.	.			trans	-114.6	20.7	175.7	-55.4	0	0	0	0	113.9	F349 C369 K373 H374 A375 C396 N407	F349-C371 HydrophobicContact CE2-CB 4.29Å; F349-C371 HydrophobicContact CZ-CB 3.87Å; C369-C371 PolarHBondContact O-N 3.47Å; C371-K373 PolarHBondContact O-N 3.43Å; C371-H374 PolarHBondContact O-N 2.94Å; C371-A375 HydrophobicContact CB-CB 3.75Å; C371-C396 WeakPolarHBondContact CA-SG 3.1Å; C371-C396 HydrophobicContact CB-CB 3.81Å; C371-C396 WeakPolarHBondContact CB-SG 3.47Å; C371-C396 WeakPolarHBondContact SG-CB 3.49Å; C371-C396 CovalentContact SG-SG 2.02Å; C371-C396 PolarHBondContact SG-SG 3.39Å; C371-N407 CarbonylContact C-O 3.44Å; C371-N407 WeakPolarHBondContact CA-O 3.31Å
372	N	97.9	Very high	97.5	Very high	25 Å²	25	61.2 Å²	61.2	13%	0.134	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	29.8	178.8	-71.4	-77	0	0	0	114.5	N370 H374 N407 L423 T424	N370-N372 PolarHBondContact OD1-N 3.04Å; N372-H374 PolarHBondContact O-CD2 2.92Å; N372-H374 PolarHBondContact O-N 3.39Å; N372-H374 PolarHBondContact O-NE2 2.69Å; N372-N407 PolarHBondContact ND2-O 3.26Å; N372-L423 HydrophobicContact CB-CG 4.36Å; N372-L423 WeakPolarHBondContact OD1-CD2 3.16Å; N372-T424 HydrophobicContact CB-CG2 4.23Å; N372-T424 VanDerWaalsContact O-CA 3.25Å; N372-T424 WeakPolarHBondContact O-CA 3.49Å; N372-T424 WeakPolarHBondContact O-CB 3.45Å
373	K	97.9	Very high	97.6	Very high	174 Å²	174	60.8 Å²	60.8	76%	0.757	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	16.8	-173.5	-51.5	-174.6	179.3	-177.2	0	115.4	C371	C371-K373 PolarHBondContact O-N 3.43Å
374	H	98.5	Very high	97.5	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.009	28%	0.283	C	S	.	.	S	Bend	trans	-97.9	-10.3	176.3	-62.5	-78.6	0	0	0	114.9	C371 N372 R400 H401 T403 C408 L423 H425	C371-H374 PolarHBondContact O-N 2.94Å; N372-H374 PolarHBondContact O-CD2 2.92Å; N372-H374 PolarHBondContact O-N 3.39Å; N372-H374 PolarHBondContact O-NE2 2.69Å; H374-R400 VanDerWaalsContact O-CB 3.25Å; H374-R400 WeakPolarHBondContact O-CB 3.05Å; H374-R400 WeakPolarHBondContact O-CG 3.14Å; H374-R400 PolarHBondContact O-N 3.16Å; H374-H401 AromaticContact CE1-ND1 3.78Å; H374-H401 WeakPolarHBondContact ND1-CB 3.41Å; H374-H401 AromaticContact ND1-CG 3.62Å; H374-H401 AromaticContact ND1-ND1 3.09Å; H374-H401 PolarHBondContact ND1-ND1 3.21Å; H374-T403 HydrophobicContact CB-CG2 4.49Å; H374-T403 WeakPolarHBondContact CB-OG1 3.08Å; H374-C408 HydrophobicContact CB-CB 3.58Å; H374-C408 PolarHBondContact CD2-O 3.37Å; H374-L423 PolarHBondContact NE2-O 2.99Å; H374-H425 PolarHBondContact CE1-O 2.87Å
375	A	98.2	Very high	97.5	Very high	8 Å²	8	62.4 Å²	62.4	7%	0.066	28%	0.283	C	S	.	.			trans	-125.9	163.8	171.6	0	0	0	0	0	111.1	C371 C396 Q397	C371-A375 HydrophobicContact CB-CB 3.75Å; A375-C396 HydrophobicContact CB-CB 4.13Å; A375-Q397 WeakPolarHBondContact CB-O 3.19Å
376	R	97	Very high	97.5	Very high	203 Å²	203	65 Å²	65	77%	0.766	29%	0.291	S	S	*	.	S	Bend	trans	-123.1	7.9	169.3	-67.3	-175.1	175.6	178.3	-3.7	112.3
377	Q	97.6	Very high	97.4	Very high	108 Å²	108	71.6 Å²	71.6	51%	0.505	33%	0.326	S	S	.	.			trans	-144.2	143.1	-175.2	-73.3	175.2	-21.5	0	0	107.9	Q397 N398	Q377-Q397 HydrophobicContact CB-CB 4.04Å; Q377-Q397 PolarHBondContact O-N 3.04Å; Q377-N398 PolarHBondContact OE1-ND2 3.43Å
378	C	97.9	Very high	97.3	Very high	9 Å²	9	68.7 Å²	68.7	6%	0.061	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	169.3	172.6	63.7	0	0	0	0	109	F349 F351 C369 V395	F349-C378 HydrophobicContact CD2-CB 4.18Å; F349-C378 HydrophobicContact CE2-CB 4.25Å; F349-C378 PolarHBondContact O-SG 3.48Å; F351-C378 WeakPolarHBondContact CD2-O 3.44Å; C369-C378 HydrophobicContact CB-CB 3.45Å; C369-C378 VanDerWaalsContact CB-CB 3.45Å; C369-C378 WeakPolarHBondContact CB-SG 2.8Å; C369-C378 WeakPolarHBondContact SG-CB 3.4Å; C369-C378 CovalentContact SG-SG 2.03Å; C369-C378 PolarHBondContact SG-SG 2.86Å; C378-V395 CarbonylContact C-O 3.58Å; C378-V395 WeakPolarHBondContact CA-O 3.29Å; C378-V395 VanDerWaalsContact CB-O 3.3Å; C378-V395 WeakPolarHBondContact CB-O 3.42Å
379	R	97.6	Very high	97.2	Very high	103 Å²	103	71.7 Å²	71.7	39%	0.389	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	155.3	167.5	62.6	174.7	-171.5	88.8	-5.8	109.1	G394 V395	R379-G394 CarbonylContact O-C 3.57Å; R379-V395 HydrophobicContact CG-CB 4.08Å; R379-V395 PolarHBondContact N-O 2.89Å; R379-V395 PolarHBondContact O-N 3.11Å
380	F	97.6	Very high	96.9	Very high	54 Å²	54	73.2 Å²	73.2	24%	0.237	35%	0.348	C	S	.	.			trans	-70.8	159.3	164.2	-176.5	-113.4	0	0	0	111.4	F351 P354 M382 F385	F351-F380 HydrophobicContact CB-CB 4.43Å; F351-F380 WeakPolarHBondContact O-CA 3.31Å; P354-F380 HydrophobicContact CG-CE1 4.06Å; P354-F380 HydrophobicContact CG-CE2 4.07Å; P354-F380 HydrophobicContact CG-CZ 3.58Å; F380-M382 HydrophobicContact CE1-CB 3.89Å; F380-M382 HydrophobicContact CE1-CE 3.99Å; F380-M382 HydrophobicContact CE1-SD 4.22Å; F380-M382 HydrophobicContact CZ-CE 4.49Å; F380-M382 HydrophobicContact CZ-SD 4.34Å; F380-F385 HydrophobicContact CE2-CB 3.65Å; F380-F385 HydrophobicContact CE2-CD1 4.33Å; F380-F385 AromaticContact CE2-CD2 3.8Å; F380-F385 HydrophobicContact CE2-CD2 3.8Å; F380-F385 AromaticContact CE2-CG 3.68Å; F380-F385 HydrophobicContact CE2-CG 3.68Å; F380-F385 HydrophobicContact CZ-CB 3.48Å; F380-F385 VanDerWaalsContact CZ-CB 3.48Å; F380-F385 AromaticContact CZ-CD1 3.86Å; F380-F385 HydrophobicContact CZ-CD1 3.86Å; F380-F385 HydrophobicContact CZ-CD2 4.17Å; F380-F385 AromaticContact CZ-CG 3.58Å; F380-F385 HydrophobicContact CZ-CG 3.58Å
381	N	97.2	Very high	96.7	Very high	31 Å²	31	74.3 Å²	74.3	17%	0.166	36%	0.357	C	S	.	.			trans	-142.6	115.2	164.1	-167.5	7.1	0	0	0	110.9	E383 I384 F385 G393 V395	N381-E383 PolarHBondContact O-N 3.24Å; N381-I384 HydrophobicContact CB-CB 4.17Å; N381-I384 HydrophobicContact CB-CD1 4.05Å; N381-I384 HydrophobicContact CB-CG1 4.22Å; N381-I384 VanDerWaalsContact ND2-CD1 3.32Å; N381-I384 WeakPolarHBondContact ND2-CD1 3.34Å; N381-I384 WeakPolarHBondContact ND2-CG1 3.42Å; N381-I384 PolarHBondContact O-N 2.81Å; N381-F385 WeakPolarHBondContact O-CB 3.18Å; N381-F385 PolarHBondContact O-N 3.1Å; N381-G393 PolarHBondContact N-O 2.86Å; N381-V395 HydrophobicContact CB-CG2 3.84Å
382	M	95.8	Very high	96.7	Very high	76 Å²	76	75.3 Å²	75.3	37%	0.374	36%	0.364	S	S	.	.	H	α-helix	trans	-63	-38.8	-177	-178.6	59.5	80	0	0	113	F380 F385 R386	F380-M382 HydrophobicContact CE1-CB 3.89Å; F380-M382 HydrophobicContact CE1-CE 3.99Å; F380-M382 HydrophobicContact CE1-SD 4.22Å; F380-M382 HydrophobicContact CZ-CE 4.49Å; F380-M382 HydrophobicContact CZ-SD 4.34Å; M382-F385 PolarHBondContact O-N 3.2Å; M382-F385 HydrophobicContact SD-CD1 4.43Å; M382-R386 VanDerWaalsContact O-CG 3.28Å; M382-R386 WeakPolarHBondContact O-CG 3.1Å; M382-R386 PolarHBondContact O-N 2.94Å; M382-R386 VanDerWaalsContact O-N 3.09Å; M382-R386 HydrophobicContact SD-CG 4.36Å; M382-R386 PolarHBondContact SD-NE 2.93Å; M382-R386 VanDerWaalsContact SD-NE 3.43Å
383	E	96.3	Very high	96.6	Very high	110 Å²	110	74.1 Å²	74.1	51%	0.514	36%	0.358	S	S	.	.	H	α-helix	trans	-59.9	-50.6	177.2	177.8	-173.3	-151.6	0	0	111.3	N381 F385 R386 L387	N381-E383 PolarHBondContact O-N 3.24Å; E383-F385 PolarHBondContact O-N 3.33Å; E383-R386 PolarHBondContact O-N 2.7Å; E383-L387 HydrophobicContact CG-CD1 4.31Å; E383-L387 WeakPolarHBondContact O-CG 3.35Å; E383-L387 PolarHBondContact O-N 2.82Å
384	I	95.2	Very high	96.6	Very high	41 Å²	41	65.9 Å²	65.9	21%	0.21	32%	0.322	C	S	.	.	H	α-helix	trans	-66.7	-38.4	179.5	-64.4	174.6	0	0	0	111	N381 R386 L387 S388 V395 R406	N381-I384 HydrophobicContact CB-CB 4.17Å; N381-I384 HydrophobicContact CB-CD1 4.05Å; N381-I384 HydrophobicContact CB-CG1 4.22Å; N381-I384 VanDerWaalsContact ND2-CD1 3.32Å; N381-I384 WeakPolarHBondContact ND2-CD1 3.34Å; N381-I384 WeakPolarHBondContact ND2-CG1 3.42Å; N381-I384 PolarHBondContact O-N 2.81Å; I384-R386 VanDerWaalsContact C-N 3.31Å; I384-R386 PolarHBondContact O-N 2.85Å; I384-L387 PolarHBondContact O-N 2.73Å; I384-S388 WeakPolarHBondContact O-CB 3.32Å; I384-S388 PolarHBondContact O-N 2.79Å; I384-S388 PolarHBondContact O-OG 3.11Å; I384-V395 HydrophobicContact CD1-CG2 3.71Å; I384-R406 VanDerWaalsContact CG2-CZ 3.5Å
385	F	97.2	Very high	96.6	Very high	32 Å²	32	66.8 Å²	66.8	14%	0.14	33%	0.328	C	S	.	.	H	α-helix	trans	-57.4	-44.1	175.3	-172.7	-116	0	0	0	111.8	R353 P354 F380 N381 M382 E383 S388 Q389 G390	R353-F385 HydrophobicContact CB-CD2 4.41Å; R353-F385 HydrophobicContact CB-CE2 3.55Å; R353-F385 HydrophobicContact CB-CZ 4.05Å; P354-F385 VanDerWaalsContact CD-CZ 3.42Å; P354-F385 HydrophobicContact CG-CD1 4.28Å; P354-F385 HydrophobicContact CG-CE1 3.93Å; P354-F385 HydrophobicContact CG-CZ 4.23Å; F380-F385 HydrophobicContact CE2-CB 3.65Å; F380-F385 HydrophobicContact CE2-CD1 4.33Å; F380-F385 AromaticContact CE2-CD2 3.8Å; F380-F385 HydrophobicContact CE2-CD2 3.8Å; F380-F385 AromaticContact CE2-CG 3.68Å; F380-F385 HydrophobicContact CE2-CG 3.68Å; F380-F385 HydrophobicContact CZ-CB 3.48Å; F380-F385 VanDerWaalsContact CZ-CB 3.48Å; F380-F385 AromaticContact CZ-CD1 3.86Å; F380-F385 HydrophobicContact CZ-CD1 3.86Å; F380-F385 HydrophobicContact CZ-CD2 4.17Å; F380-F385 AromaticContact CZ-CG 3.58Å; F380-F385 HydrophobicContact CZ-CG 3.58Å; N381-F385 WeakPolarHBondContact O-CB 3.18Å; N381-F385 PolarHBondContact O-N 3.1Å; M382-F385 PolarHBondContact O-N 3.2Å; M382-F385 HydrophobicContact SD-CD1 4.43Å; E383-F385 PolarHBondContact O-N 3.33Å; F385-S388 WeakPolarHBondContact CA-OG 2.98Å; F385-S388 CarbonylContact O-C 3.58Å; F385-S388 PolarHBondContact O-N 3.1Å; F385-S388 PolarHBondContact O-OG 3.31Å; F385-Q389 PolarHBondContact O-N 2.96Å; F385-G390 WeakPolarHBondContact CE2-O 3.31Å; F385-G390 WeakPolarHBondContact CZ-O 3Å; F385-G390 PolarHBondContact O-N 3.26Å
386	R	96.6	Very high	96.6	Very high	81 Å²	81	67 Å²	67	31%	0.306	33%	0.329	S	S	.	.	H	α-helix	trans	-70.6	-40.4	177.7	-66.8	166.8	-177.8	-154	14.2	112.9	M382 E383 I384 S388 Q389 T564	M382-R386 VanDerWaalsContact O-CG 3.28Å; M382-R386 WeakPolarHBondContact O-CG 3.1Å; M382-R386 PolarHBondContact O-N 2.94Å; M382-R386 VanDerWaalsContact O-N 3.09Å; M382-R386 HydrophobicContact SD-CG 4.36Å; M382-R386 PolarHBondContact SD-NE 2.93Å; M382-R386 VanDerWaalsContact SD-NE 3.43Å; E383-R386 PolarHBondContact O-N 2.7Å; I384-R386 VanDerWaalsContact C-N 3.31Å; I384-R386 PolarHBondContact O-N 2.85Å; R386-S388 PolarHBondContact O-N 2.97Å; R386-Q389 PolarHBondContact O-N 3.37Å; R386-T564 PolarHBondContact NH1-O 2.84Å; R386-T564 PolarHBondContact NH1-OG1 2.91Å; R386-T564 PolarHBondContact NH2-OG1 3.04Å
387	L	96.5	Very high	96.7	Very high	139 Å²	139	60.9 Å²	60.9	73%	0.728	31%	0.309	S	S	*	.	H	α-helix	trans	-60.8	-30.7	171.9	-70.3	169.8	0	0	0	111.8	E383 I384 Q389	E383-L387 HydrophobicContact CG-CD1 4.31Å; E383-L387 WeakPolarHBondContact O-CG 3.35Å; E383-L387 PolarHBondContact O-N 2.82Å; I384-L387 PolarHBondContact O-N 2.73Å; L387-Q389 VanDerWaalsContact C-N 3.26Å; L387-Q389 PolarHBondContact O-N 3.47Å
388	S	95.9	Very high	96.7	Very high	32 Å²	32	61.5 Å²	61.5	22%	0.224	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	16.1	171.4	74.6	0	0	0	0	114.7	I384 F385 R386 G390 V391 S392	I384-S388 WeakPolarHBondContact O-CB 3.32Å; I384-S388 PolarHBondContact O-N 2.79Å; I384-S388 PolarHBondContact O-OG 3.11Å; F385-S388 WeakPolarHBondContact CA-OG 2.98Å; F385-S388 CarbonylContact O-C 3.58Å; F385-S388 PolarHBondContact O-N 3.1Å; F385-S388 PolarHBondContact O-OG 3.31Å; R386-S388 PolarHBondContact O-N 2.97Å; S388-G390 PolarHBondContact O-N 3.27Å; S388-G390 VanDerWaalsContact O-N 3.16Å; S388-V391 WeakPolarHBondContact O-CB 3.44Å; S388-V391 VanDerWaalsContact O-CG2 3.31Å; S388-V391 WeakPolarHBondContact O-CG2 3.16Å; S388-V391 PolarHBondContact O-N 3.21Å; S388-V391 PolarHBondContact OG-N 2.6Å; S388-S392 PolarHBondContact OG-N 3.36Å; S388-S392 PolarHBondContact OG-O 3.16Å; S388-S392 VanDerWaalsContact OG-O 3.07Å
389	Q	94.8	Very high	96.7	Very high	183 Å²	183	62 Å²	62	86%	0.855	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	34.9	-179.9	-56.9	-178.5	-3.7	0	0	114.2	F385 R386 L387	F385-Q389 PolarHBondContact O-N 2.96Å; R386-Q389 PolarHBondContact O-N 3.37Å; L387-Q389 VanDerWaalsContact C-N 3.26Å; L387-Q389 PolarHBondContact O-N 3.47Å
390	G	92	Very high	96.7	Very high	36 Å²	36	63.5 Å²	63.5	37%	0.371	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	85	8.7	-180	0	0	0	0	0	115.4	F385 S388	F385-G390 WeakPolarHBondContact CE2-O 3.31Å; F385-G390 WeakPolarHBondContact CZ-O 3Å; F385-G390 PolarHBondContact O-N 3.26Å; S388-G390 PolarHBondContact O-N 3.27Å; S388-G390 VanDerWaalsContact O-N 3.16Å
391	V	95.4	Very high	96.7	Very high	111 Å²	111	63.3 Å²	63.3	67%	0.673	33%	0.325	S	S	*	.	S	Bend	trans	-85.4	-53.1	-178.1	179.4	0	0	0	0	112.9	S388	S388-V391 WeakPolarHBondContact O-CB 3.44Å; S388-V391 VanDerWaalsContact O-CG2 3.31Å; S388-V391 WeakPolarHBondContact O-CG2 3.16Å; S388-V391 PolarHBondContact O-N 3.21Å; S388-V391 PolarHBondContact OG-N 2.6Å
392	S	97.1	Very high	96.8	Very high	24 Å²	24	63.4 Å²	63.4	17%	0.168	33%	0.328	C	S	.	.			trans	-156	111.2	-166.3	178	0	0	0	0	114.5	D352 S388 R406	D352-S392 PolarHBondContact OD1-OG 2.67Å; D352-S392 VanDerWaalsContact OD1-OG 3.07Å; D352-S392 WeakPolarHBondContact OD2-CA 3.27Å; D352-S392 WeakPolarHBondContact OD2-CB 3.35Å; D352-S392 PolarHBondContact OD2-OG 3.44Å; S388-S392 PolarHBondContact OG-N 3.36Å; S388-S392 PolarHBondContact OG-O 3.16Å; S388-S392 VanDerWaalsContact OG-O 3.07Å; S392-R406 VanDerWaalsContact C-NH2 3.34Å; S392-R406 PolarHBondContact O-NH1 3.46Å; S392-R406 VanDerWaalsContact O-NH1 3.09Å; S392-R406 PolarHBondContact O-NH2 2.03Å; S392-R406 PolarHBondContact OG-NH2 3.35Å
393	G	97.2	Very high	96.9	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.31	C	S	.	.			trans	-114.1	1.8	178.8	0	0	0	0	0	115.9	D352 N381	D352-G393 WeakPolarHBondContact O-CA 3.48Å; D352-G393 PolarHBondContact O-N 2.93Å; N381-G393 PolarHBondContact N-O 2.86Å
394	G	97.6	Very high	96.9	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.01	30%	0.302	C	S	.	.			trans	-68.6	138.6	-178.2	0	0	0	0	0	113.2	D352 R379 R406	D352-G394 PolarHBondContact O-N 3.15Å; D352-G394 WeakPolarHBondContact OD1-CA 3.31Å; D352-G394 PolarHBondContact OD1-N 3.32Å; R379-G394 CarbonylContact O-C 3.57Å; G394-R406 VanDerWaalsContact O-CZ 3.26Å; G394-R406 PolarHBondContact O-NE 3.01Å; G394-R406 PolarHBondContact O-NH2 2.75Å
395	V	98.3	Very high	97	Very high	20 Å²	20	56.6 Å²	56.6	12%	0.121	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	121.1	-179.9	-174.5	0	0	0	0	109.2	C378 R379 N381 I384 R406	C378-V395 CarbonylContact C-O 3.58Å; C378-V395 WeakPolarHBondContact CA-O 3.29Å; C378-V395 VanDerWaalsContact CB-O 3.3Å; C378-V395 WeakPolarHBondContact CB-O 3.42Å; R379-V395 HydrophobicContact CG-CB 4.08Å; R379-V395 PolarHBondContact N-O 2.89Å; R379-V395 PolarHBondContact O-N 3.11Å; N381-V395 HydrophobicContact CB-CG2 3.84Å; I384-V395 HydrophobicContact CD1-CG2 3.71Å; V395-R406 HydrophobicContact CG1-CG 4.35Å; V395-R406 HydrophobicContact CG2-CG 4.26Å
396	C	98.6	Very high	97	Very high	14 Å²	14	58.5 Å²	58.5	10%	0.095	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	150.9	-175.4	-55.9	0	0	0	0	112.4	N370 C371 A375 R406 C408	N370-C396 PolarHBondContact O-SG 3.46Å; C371-C396 WeakPolarHBondContact CA-SG 3.1Å; C371-C396 HydrophobicContact CB-CB 3.81Å; C371-C396 WeakPolarHBondContact CB-SG 3.47Å; C371-C396 WeakPolarHBondContact SG-CB 3.49Å; C371-C396 CovalentContact SG-SG 2.02Å; C371-C396 PolarHBondContact SG-SG 3.39Å; A375-C396 HydrophobicContact CB-CB 4.13Å; C396-R406 VanDerWaalsContact CB-O 3.22Å; C396-R406 WeakPolarHBondContact CB-O 3.39Å; C396-R406 PolarHBondContact N-O 3.11Å; C396-R406 PolarHBondContact SG-O 3.47Å; C396-C408 VanDerWaalsContact CB-SG 3.52Å
397	Q	98	Very high	97	Very high	73 Å²	73	56.2 Å²	56.2	34%	0.341	31%	0.306	S	S	.	.			trans	-120.1	141.8	-180	-66.9	179.8	-27.1	0	0	110.7	A375 Q377 C399	A375-Q397 WeakPolarHBondContact CB-O 3.19Å; Q377-Q397 HydrophobicContact CB-CB 4.04Å; Q377-Q397 PolarHBondContact O-N 3.04Å; Q397-C399 PolarHBondContact O-N 2.99Å
398	N	97.4	Very high	97.1	Very high	121 Å²	121	49.6 Å²	49.6	65%	0.647	27%	0.271	S	S	*	.	S	Bend	trans	57.7	47.3	172.8	-54.5	-42.9	0	0	0	114	Q377 R400	Q377-N398 PolarHBondContact OE1-ND2 3.43Å; N398-R400 WeakPolarHBondContact O-CG 3.39Å; N398-R400 PolarHBondContact O-N 3.17Å
399	C	98.2	Very high	97.1	Very high	20 Å²	20	51.8 Å²	51.8	14%	0.135	28%	0.278	C	S	.	.			trans	-51.1	121.3	-179.7	-64.7	0	0	0	0	113	Q397 T403 C408 K412	Q397-C399 PolarHBondContact O-N 2.99Å; C399-T403 WeakPolarHBondContact CB-O 3.48Å; C399-C408 VanDerWaalsContact CA-SG 3.58Å; C399-C408 HydrophobicContact CB-CB 3.8Å; C399-C408 WeakPolarHBondContact CB-SG 3.38Å; C399-C408 VanDerWaalsContact SG-CA 3.53Å; C399-C408 WeakPolarHBondContact SG-CB 3.5Å; C399-C408 CovalentContact SG-SG 2.04Å; C399-C408 PolarHBondContact SG-SG 2.75Å; C399-K412 PolarHBondContact O-NZ 2.91Å
400	R	98.2	Very high	97.3	Very high	135 Å²	135	48 Å²	48	51%	0.509	26%	0.26	S	S	.	.			trans	-95.8	-178.7	-176.8	-55	-179	176.7	-164	-5.5	111.4	H374 N398 S402 T403	H374-R400 VanDerWaalsContact O-CB 3.25Å; H374-R400 WeakPolarHBondContact O-CB 3.05Å; H374-R400 WeakPolarHBondContact O-CG 3.14Å; H374-R400 PolarHBondContact O-N 3.16Å; N398-R400 WeakPolarHBondContact O-CG 3.39Å; N398-R400 PolarHBondContact O-N 3.17Å; R400-S402 PolarHBondContact O-N 2.89Å; R400-T403 PolarHBondContact O-N 2.91Å; R400-T403 VanDerWaalsContact O-N 3.12Å; R400-T403 PolarHBondContact O-OG1 3.15Å
401	H	98.1	Very high	97.5	Very high	49 Å²	49	46.8 Å²	46.8	23%	0.227	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	38.1	177.3	-43.7	130.9	0	0	0	113.4	H374 T403 R426	H374-H401 AromaticContact CE1-ND1 3.78Å; H374-H401 WeakPolarHBondContact ND1-CB 3.41Å; H374-H401 AromaticContact ND1-CG 3.62Å; H374-H401 AromaticContact ND1-ND1 3.09Å; H374-H401 PolarHBondContact ND1-ND1 3.21Å; H401-T403 PolarHBondContact O-N 2.86Å; H401-R426 WeakPolarHBondContact CB-O 3.38Å; H401-R426 PolarHBondContact NE2-NE 2.79Å
402	S	97.6	Very high	97.6	Very high	33 Å²	33	45.7 Å²	45.7	23%	0.231	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	25.4	-175.9	-58.3	0	0	0	0	116.6	R400 K412 F415	R400-S402 PolarHBondContact O-N 2.89Å; S402-K412 WeakPolarHBondContact O-CG 3.42Å; S402-K412 PolarHBondContact O-N 2.78Å; S402-F415 WeakPolarHBondContact OG-CE1 3.45Å; S402-F415 WeakPolarHBondContact OG-CZ 3.45Å
403	T	98.1	Very high	97.5	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	158.2	177.4	60.2	0	0	0	0	114.4	H374 C399 R400 H401 Q410 K412 V428	H374-T403 HydrophobicContact CB-CG2 4.49Å; H374-T403 WeakPolarHBondContact CB-OG1 3.08Å; C399-T403 WeakPolarHBondContact CB-O 3.48Å; R400-T403 PolarHBondContact O-N 2.91Å; R400-T403 VanDerWaalsContact O-N 3.12Å; R400-T403 PolarHBondContact O-OG1 3.15Å; H401-T403 PolarHBondContact O-N 2.86Å; T403-Q410 CarbonylContact C-O 3.58Å; T403-Q410 WeakPolarHBondContact CA-O 3.43Å; T403-Q410 WeakPolarHBondContact CB-O 3.29Å; T403-K412 WeakPolarHBondContact O-CE 3.39Å; T403-V428 HydrophobicContact CG2-CG1 3.91Å
404	T	97.3	Very high	97.5	Very high	56 Å²	56	53.5 Å²	53.5	34%	0.344	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	-179	179.9	-162.2	0	0	0	0	112.3	C408 H409 Q410 C411	T404-C408 CarbonylContact O-C 3.58Å; T404-C408 VanDerWaalsContact O-CA 3.32Å; T404-C408 WeakPolarHBondContact O-CA 3.34Å; T404-H409 PolarHBondContact O-N 2.87Å; T404-Q410 HydrophobicContact CG2-CB 3.76Å; T404-Q410 PolarHBondContact N-O 3.31Å; T404-Q410 PolarHBondContact O-N 3.31Å; T404-Q410 VanDerWaalsContact O-N 3.08Å; T404-C411 WeakPolarHBondContact CG2-O 3.21Å
405	G	96.2	Very high	97.5	Very high	28 Å²	28	56.4 Å²	56.4	29%	0.289	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	167.8	-176.7	0	0	0	0	0	113.7	N407 C408	G405-N407 VanDerWaalsContact C-N 3.29Å; G405-N407 PolarHBondContact O-N 2.77Å; G405-N407 VanDerWaalsContact O-N 3.1Å; G405-C408 PolarHBondContact O-N 3.29Å
406	R	96.9	Very high	97.5	Very high	71 Å²	71	56.7 Å²	56.7	27%	0.268	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-42.2	-50.9	-173	-173.8	-162.4	156.5	-173.5	-12.8	113.8	D352 I384 S392 G394 V395 C396	D352-R406 IonicContact OD1-NH2 2.85Å; I384-R406 VanDerWaalsContact CG2-CZ 3.5Å; S392-R406 VanDerWaalsContact C-NH2 3.34Å; S392-R406 PolarHBondContact O-NH1 3.46Å; S392-R406 VanDerWaalsContact O-NH1 3.09Å; S392-R406 PolarHBondContact O-NH2 2.03Å; S392-R406 PolarHBondContact OG-NH2 3.35Å; G394-R406 VanDerWaalsContact O-CZ 3.26Å; G394-R406 PolarHBondContact O-NE 3.01Å; G394-R406 PolarHBondContact O-NH2 2.75Å; V395-R406 HydrophobicContact CG1-CG 4.35Å; V395-R406 HydrophobicContact CG2-CG 4.26Å; C396-R406 VanDerWaalsContact CB-O 3.22Å; C396-R406 WeakPolarHBondContact CB-O 3.39Å; C396-R406 PolarHBondContact N-O 3.11Å; C396-R406 PolarHBondContact SG-O 3.47Å
407	N	97.9	Very high	97.4	Very high	34 Å²	34	59.5 Å²	59.5	18%	0.182	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	18.1	-174.6	-64.6	21.6	0	0	0	113.1	N370 C371 N372 G405 H409	N370-N407 WeakPolarHBondContact O-CA 3.48Å; N370-N407 WeakPolarHBondContact O-CB 3.12Å; N370-N407 VanDerWaalsContact O-CG 3.28Å; C371-N407 CarbonylContact C-O 3.44Å; C371-N407 WeakPolarHBondContact CA-O 3.31Å; N372-N407 PolarHBondContact ND2-O 3.26Å; G405-N407 VanDerWaalsContact C-N 3.29Å; G405-N407 PolarHBondContact O-N 2.77Å; G405-N407 VanDerWaalsContact O-N 3.1Å; N407-H409 VanDerWaalsContact C-N 3.31Å; N407-H409 HydrophobicContact CB-CB 4.4Å; N407-H409 PolarHBondContact O-N 2.61Å
408	C	98.2	Very high	97.3	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.7	47.1	-171	-52.9	0	0	0	0	112.9	H374 C396 C399 T404 G405	H374-C408 HydrophobicContact CB-CB 3.58Å; H374-C408 PolarHBondContact CD2-O 3.37Å; C396-C408 VanDerWaalsContact CB-SG 3.52Å; C399-C408 VanDerWaalsContact CA-SG 3.58Å; C399-C408 HydrophobicContact CB-CB 3.8Å; C399-C408 WeakPolarHBondContact CB-SG 3.38Å; C399-C408 VanDerWaalsContact SG-CA 3.53Å; C399-C408 WeakPolarHBondContact SG-CB 3.5Å; C399-C408 CovalentContact SG-SG 2.04Å; C399-C408 PolarHBondContact SG-SG 2.75Å; T404-C408 CarbonylContact O-C 3.58Å; T404-C408 VanDerWaalsContact O-CA 3.32Å; T404-C408 WeakPolarHBondContact O-CA 3.34Å; G405-C408 PolarHBondContact O-N 3.29Å
409	H	97.1	Very high	97.2	Very high	78 Å²	78	55.6 Å²	55.6	36%	0.361	29%	0.285	S	S	.	.			trans	-110.6	-7.4	-166.2	68.1	-73.9	0	0	0	114.2	T404 N407 L423	T404-H409 PolarHBondContact O-N 2.87Å; N407-H409 VanDerWaalsContact C-N 3.31Å; N407-H409 HydrophobicContact CB-CB 4.4Å; N407-H409 PolarHBondContact O-N 2.61Å; H409-L423 HydrophobicContact CB-CD2 4.01Å
410	Q	97.1	Very high	97	Very high	103 Å²	103	60.2 Å²	60.2	48%	0.481	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	164.6	177.2	-63.9	169.5	3	0	0	109.5	T403 T404	T403-Q410 CarbonylContact C-O 3.58Å; T403-Q410 WeakPolarHBondContact CA-O 3.43Å; T403-Q410 WeakPolarHBondContact CB-O 3.29Å; T404-Q410 HydrophobicContact CG2-CB 3.76Å; T404-Q410 PolarHBondContact N-O 3.31Å; T404-Q410 PolarHBondContact O-N 3.31Å; T404-Q410 VanDerWaalsContact O-N 3.08Å
411	C	97.3	Very high	96.9	Very high	11 Å²	11	56.9 Å²	56.9	7%	0.074	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	146.4	169.5	-63.7	0	0	0	0	111.3	T404 F415 Y416 C429	T404-C411 WeakPolarHBondContact CG2-O 3.21Å; C411-F415 HydrophobicContact CB-CB 4.03Å; C411-F415 WeakPolarHBondContact CB-O 3.29Å; C411-Y416 VanDerWaalsContact SG-C 3.52Å; C411-C429 WeakPolarHBondContact CA-SG 3.38Å; C411-C429 HydrophobicContact CB-CB 3.83Å; C411-C429 WeakPolarHBondContact CB-SG 3.4Å; C411-C429 WeakPolarHBondContact SG-CA 3.18Å; C411-C429 WeakPolarHBondContact SG-CB 3.46Å; C411-C429 CovalentContact SG-SG 2.04Å; C411-C429 PolarHBondContact SG-SG 3.27Å
412	K	96.9	Very high	96.9	Very high	88 Å²	88	58.8 Å²	58.8	38%	0.383	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-64.8	155.8	172.7	-69	178.6	-166.8	-173.1	0	110.3	C399 S402 T403 G414 F415	C399-K412 PolarHBondContact O-NZ 2.91Å; S402-K412 WeakPolarHBondContact O-CG 3.42Å; S402-K412 PolarHBondContact O-N 2.78Å; T403-K412 WeakPolarHBondContact O-CE 3.39Å; K412-G414 PolarHBondContact O-N 2.9Å; K412-F415 HydrophobicContact CB-CD2 4.41Å; K412-F415 WeakPolarHBondContact O-CA 3.45Å; K412-F415 WeakPolarHBondContact O-CB 3.46Å; K412-F415 PolarHBondContact O-N 3.09Å
413	E	95.8	Very high	96.8	Very high	166 Å²	166	59.6 Å²	59.6	78%	0.776	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	138.9	168.7	-68.7	164.1	-151	0	0	111	F415 I443	E413-F415 VanDerWaalsContact C-N 3.29Å; E413-I443 HydrophobicContact CB-CD1 4.37Å
414	G	96.2	Very high	96.8	Very high	22 Å²	22	62.5 Å²	62.5	23%	0.227	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	4.8	-169.5	0	0	0	0	0	114.8	K412 C432	K412-G414 PolarHBondContact O-N 2.9Å; G414-C432 PolarHBondContact O-N 2.81Å; G414-C432 PolarHBondContact O-SG 3.07Å
415	F	98	Very high	96.8	Very high	61 Å²	61	63.2 Å²	63.2	27%	0.268	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	151.6	171.4	-63.5	-103.1	0	0	0	112.2	S402 C411 K412 E413 C429 K430 A431	S402-F415 WeakPolarHBondContact OG-CE1 3.45Å; S402-F415 WeakPolarHBondContact OG-CZ 3.45Å; C411-F415 HydrophobicContact CB-CB 4.03Å; C411-F415 WeakPolarHBondContact CB-O 3.29Å; K412-F415 HydrophobicContact CB-CD2 4.41Å; K412-F415 WeakPolarHBondContact O-CA 3.45Å; K412-F415 WeakPolarHBondContact O-CB 3.46Å; K412-F415 PolarHBondContact O-N 3.09Å; E413-F415 VanDerWaalsContact C-N 3.29Å; F415-C429 HydrophobicContact CB-CB 4.09Å; F415-C429 HydrophobicContact CD1-CB 4.37Å; F415-K430 CarbonylContact C-O 3.56Å; F415-K430 WeakPolarHBondContact CA-O 3.41Å; F415-K430 WeakPolarHBondContact CB-O 3.48Å; F415-A431 HydrophobicContact CD1-CB 4.23Å; F415-A431 HydrophobicContact CE1-CB 4.04Å
416	Y	97.6	Very high	96.9	Very high	27 Å²	27	70.6 Å²	70.6	11%	0.106	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	160.3	174.8	69.6	-85.9	0	0	0	113.4	C411 D418 C429 K430 A431 N445 S446	C411-Y416 VanDerWaalsContact SG-C 3.52Å; Y416-D418 PolarHBondContact O-N 3.27Å; Y416-C429 CarbonylContact O-C 3.6Å; Y416-C429 WeakPolarHBondContact O-CA 3.27Å; Y416-K430 WeakPolarHBondContact CD1-O 3.37Å; Y416-K430 HydrophobicContact CE1-CB 4.18Å; Y416-K430 HydrophobicContact CE1-CD 4.28Å; Y416-K430 HydrophobicContact CE1-CG 4.1Å; Y416-K430 PolarHBondContact N-O 2.68Å; Y416-K430 PolarHBondContact O-N 2.76Å; Y416-K430 WeakPolarHBondContact OH-CD 3.34Å; Y416-K430 WeakPolarHBondContact OH-CE 3.42Å; Y416-K430 PolarHBondContact OH-NZ 3.48Å; Y416-K430 VanDerWaalsContact OH-NZ 3.09Å; Y416-A431 VanDerWaalsContact CE1-O 3.28Å; Y416-A431 WeakPolarHBondContact CE1-O 3.31Å; Y416-N445 WeakPolarHBondContact CB-O 3.18Å; Y416-S446 CarbonylContact C-O 3.38Å; Y416-S446 VanDerWaalsContact CA-O 3.28Å; Y416-S446 WeakPolarHBondContact CA-O 3.43Å
417	R	96.9	Very high	96.9	Very high	72 Å²	72	74.6 Å²	74.6	27%	0.272	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	112.6	-179.4	179.7	65	174.2	91.6	1.7	111.5	A419 K421 V428 S446	R417-A419 PolarHBondContact O-N 3.4Å; R417-A419 VanDerWaalsContact O-N 3.11Å; R417-K421 PolarHBondContact NH1-O 3.33Å; R417-K421 PolarHBondContact NH2-O 3.43Å; R417-V428 VanDerWaalsContact NH1-CG2 3.33Å; R417-S446 PolarHBondContact N-O 2.88Å
418	D	96.7	Very high	96.9	Very high	26 Å²	26	73 Å²	73	14%	0.139	37%	0.367	C	S	.	.			trans	-80.3	91.1	171.3	-175.4	-18	0	0	0	109.9	Y416 T420 K421 V428 K430	Y416-D418 PolarHBondContact O-N 3.27Å; D418-T420 PolarHBondContact O-N 3.09Å; D418-T420 WeakPolarHBondContact OD1-CB 3.32Å; D418-T420 PolarHBondContact OD1-N 3.48Å; D418-T420 PolarHBondContact OD1-OG1 3.41Å; D418-K421 HydrophobicContact CB-CD 4.31Å; D418-K421 PolarHBondContact O-N 3Å; D418-K421 VanDerWaalsContact O-N 3.12Å; D418-K421 IonicContact OD2-NZ 2.91Å; D418-K421 PolarHBondContact OD2-NZ 3.37Å; D418-V428 WeakPolarHBondContact CB-O 3.24Å; D418-V428 PolarHBondContact N-O 3.3Å; D418-K430 HydrophobicContact CB-CB 4.46Å
419	A	94.3	Very high	96.9	Very high	87 Å²	87	73.6 Å²	73.6	72%	0.719	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-21.3	-173.2	0	0	0	0	0	114.7	R417 K421	R417-A419 PolarHBondContact O-N 3.4Å; R417-A419 VanDerWaalsContact O-N 3.11Å; A419-K421 PolarHBondContact O-N 3.29Å; A419-K421 VanDerWaalsContact O-N 3.16Å
420	T	95.7	Very high	96.9	Very high	117 Å²	117	74.2 Å²	74.2	72%	0.718	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-15.2	177.8	68.2	0	0	0	0	114	D418	D418-T420 PolarHBondContact O-N 3.09Å; D418-T420 WeakPolarHBondContact OD1-CB 3.32Å; D418-T420 PolarHBondContact OD1-N 3.48Å; D418-T420 PolarHBondContact OD1-OG1 3.41Å
421	K	96.2	Very high	96.9	Very high	65 Å²	65	71.1 Å²	71.1	28%	0.283	37%	0.366	S	S	.	.	S	Bend	trans	-112.5	147.9	-176	-72.2	135.5	-171.8	165.9	0	112.5	R417 D418 A419 H425 K427	R417-K421 PolarHBondContact NH1-O 3.33Å; R417-K421 PolarHBondContact NH2-O 3.43Å; D418-K421 HydrophobicContact CB-CD 4.31Å; D418-K421 PolarHBondContact O-N 3Å; D418-K421 VanDerWaalsContact O-N 3.12Å; D418-K421 IonicContact OD2-NZ 2.91Å; D418-K421 PolarHBondContact OD2-NZ 3.37Å; A419-K421 PolarHBondContact O-N 3.29Å; A419-K421 VanDerWaalsContact O-N 3.16Å; K421-H425 HydrophobicContact CB-CB 3.98Å; K421-K427 WeakPolarHBondContact CD-O 3.38Å
422	P	97.1	Very high	96.9	Very high	88 Å²	88	71.5 Å²	71.5	57%	0.571	37%	0.368	S	S	*	.			trans	-63.4	153.4	170	28.9	-34.7	0	0	0	110.2	T424 H425	P422-T424 PolarHBondContact O-N 3.44Å; P422-T424 VanDerWaalsContact O-N 3.1Å; P422-H425 HydrophobicContact CG-CB 4.31Å; P422-H425 VanDerWaalsContact O-CB 3.3Å; P422-H425 WeakPolarHBondContact O-CB 3.39Å; P422-H425 PolarHBondContact O-N 3.03Å; P422-H425 VanDerWaalsContact O-N 3.09Å
423	L	95.9	Very high	96.9	Very high	51 Å²	51	72.1 Å²	72.1	27%	0.267	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-34.1	-172.4	-176.9	55.9	0	0	0	112.7	N372 H374 H409 H425 V428	N372-L423 HydrophobicContact CB-CG 4.36Å; N372-L423 WeakPolarHBondContact OD1-CD2 3.16Å; H374-L423 PolarHBondContact NE2-O 2.99Å; H409-L423 HydrophobicContact CB-CD2 4.01Å; L423-H425 PolarHBondContact O-N 2.83Å; L423-V428 HydrophobicContact CD1-CG2 4.26Å
424	T	97.7	Very high	97	Very high	61 Å²	61	65 Å²	65	37%	0.374	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	1.3	-177.6	59.7	0	0	0	0	115.4	N372 P422	N372-T424 HydrophobicContact CB-CG2 4.23Å; N372-T424 VanDerWaalsContact O-CA 3.25Å; N372-T424 WeakPolarHBondContact O-CA 3.49Å; N372-T424 WeakPolarHBondContact O-CB 3.45Å; P422-T424 PolarHBondContact O-N 3.44Å; P422-T424 VanDerWaalsContact O-N 3.1Å
425	H	98.1	Very high	97.1	Very high	72 Å²	72	67.4 Å²	67.4	33%	0.333	35%	0.349	S	S	.	.			trans	-77.3	139.1	-171.8	-174.4	-113	0	0	0	113.4	H374 K421 P422 L423 K427 V428	H374-H425 PolarHBondContact CE1-O 2.87Å; K421-H425 HydrophobicContact CB-CB 3.98Å; P422-H425 HydrophobicContact CG-CB 4.31Å; P422-H425 VanDerWaalsContact O-CB 3.3Å; P422-H425 WeakPolarHBondContact O-CB 3.39Å; P422-H425 PolarHBondContact O-N 3.03Å; P422-H425 VanDerWaalsContact O-N 3.09Å; L423-H425 PolarHBondContact O-N 2.83Å; H425-K427 PolarHBondContact ND1-N 2.85Å; H425-K427 PolarHBondContact O-N 3.48Å; H425-V428 HydrophobicContact CB-CB 4.34Å; H425-V428 VanDerWaalsContact O-CB 3.26Å; H425-V428 WeakPolarHBondContact O-CB 3.48Å; H425-V428 WeakPolarHBondContact O-CG1 3.35Å; H425-V428 PolarHBondContact O-N 2.79Å
426	R	97.8	Very high	97	Very high	182 Å²	182	69.8 Å²	69.8	69%	0.687	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-13.2	-177.1	-58.9	-171.2	66.3	-163.6	-3.9	115.2	H401	H401-R426 WeakPolarHBondContact CB-O 3.38Å; H401-R426 PolarHBondContact NE2-NE 2.79Å
427	K	97.1	Very high	96.9	Very high	155 Å²	155	71.2 Å²	71.2	67%	0.674	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.9	39.7	172.9	-55.5	-177.9	-179.3	-179.8	0	111.3	K421 H425	K421-K427 WeakPolarHBondContact CD-O 3.38Å; H425-K427 PolarHBondContact ND1-N 2.85Å; H425-K427 PolarHBondContact O-N 3.48Å
428	V	97.3	Very high	96.9	Very high	0 Å²	0	67.9 Å²	67.9	0%	0	37%	0.368	C	S	.	.			trans	-71.5	-28.1	178.6	68	0	0	0	0	113.3	T403 R417 D418 L423 H425	T403-V428 HydrophobicContact CG2-CG1 3.91Å; R417-V428 VanDerWaalsContact NH1-CG2 3.33Å; D418-V428 WeakPolarHBondContact CB-O 3.24Å; D418-V428 PolarHBondContact N-O 3.3Å; L423-V428 HydrophobicContact CD1-CG2 4.26Å; H425-V428 HydrophobicContact CB-CB 4.34Å; H425-V428 VanDerWaalsContact O-CB 3.26Å; H425-V428 WeakPolarHBondContact O-CB 3.48Å; H425-V428 WeakPolarHBondContact O-CG1 3.35Å; H425-V428 PolarHBondContact O-N 2.79Å
429	C	97.8	Very high	97	Very high	13 Å²	13	67 Å²	67	9%	0.088	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	121.5	176.3	-66.7	0	0	0	0	109.9	C411 F415 Y416	C411-C429 WeakPolarHBondContact CA-SG 3.38Å; C411-C429 HydrophobicContact CB-CB 3.83Å; C411-C429 WeakPolarHBondContact CB-SG 3.4Å; C411-C429 WeakPolarHBondContact SG-CA 3.18Å; C411-C429 WeakPolarHBondContact SG-CB 3.46Å; C411-C429 CovalentContact SG-SG 2.04Å; C411-C429 PolarHBondContact SG-SG 3.27Å; F415-C429 HydrophobicContact CB-CB 4.09Å; F415-C429 HydrophobicContact CD1-CB 4.37Å; Y416-C429 CarbonylContact O-C 3.6Å; Y416-C429 WeakPolarHBondContact O-CA 3.27Å
430	K	97.2	Very high	97.1	Very high	91 Å²	91	67.2 Å²	67.2	40%	0.396	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	146.5	177.1	-179.4	175.2	165.4	-161.1	0	109.8	F415 Y416 D418	F415-K430 CarbonylContact C-O 3.56Å; F415-K430 WeakPolarHBondContact CA-O 3.41Å; F415-K430 WeakPolarHBondContact CB-O 3.48Å; Y416-K430 WeakPolarHBondContact CD1-O 3.37Å; Y416-K430 HydrophobicContact CE1-CB 4.18Å; Y416-K430 HydrophobicContact CE1-CD 4.28Å; Y416-K430 HydrophobicContact CE1-CG 4.1Å; Y416-K430 PolarHBondContact N-O 2.68Å; Y416-K430 PolarHBondContact O-N 2.76Å; Y416-K430 WeakPolarHBondContact OH-CD 3.34Å; Y416-K430 WeakPolarHBondContact OH-CE 3.42Å; Y416-K430 PolarHBondContact OH-NZ 3.48Å; Y416-K430 VanDerWaalsContact OH-NZ 3.09Å; D418-K430 HydrophobicContact CB-CB 4.46Å
431	A	97.4	Very high	97	Very high	39 Å²	39	63 Å²	63	32%	0.322	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	152.6	-178.1	0	0	0	0	0	112.5	F415 Y416 D433	F415-A431 HydrophobicContact CD1-CB 4.23Å; F415-A431 HydrophobicContact CE1-CB 4.04Å; Y416-A431 VanDerWaalsContact CE1-O 3.28Å; Y416-A431 WeakPolarHBondContact CE1-O 3.31Å; A431-D433 PolarHBondContact O-N 3.25Å
432	C	97.3	Very high	97	Very high	19 Å²	19	68.5 Å²	68.5	13%	0.128	36%	0.364	C	S	.	.			trans	-80.3	97.3	172.2	-63.9	0	0	0	0	110.7	G414 C434 C444	G414-C432 PolarHBondContact O-N 2.81Å; G414-C432 PolarHBondContact O-SG 3.07Å; C432-C434 PolarHBondContact O-N 2.88Å; C432-C444 HydrophobicContact CB-CB 3.64Å; C432-C444 WeakPolarHBondContact CB-SG 3.34Å; C432-C444 VanDerWaalsContact SG-CA 3.58Å; C432-C444 WeakPolarHBondContact SG-CB 3.35Å; C432-C444 PolarHBondContact SG-N 3.01Å; C432-C444 CovalentContact SG-SG 2.03Å; C432-C444 PolarHBondContact SG-SG 3.19Å
433	D	97.2	Very high	97	Very high	100 Å²	100	68.8 Å²	68.8	54%	0.535	36%	0.359	S	S	.	.			trans	-79.6	45.3	-178.9	-55	-48.3	0	0	0	112.6	A431 H435 T461	A431-D433 PolarHBondContact O-N 3.25Å; D433-H435 PolarHBondContact O-N 2.62Å; D433-T461 HydrophobicContact CB-CG2 4.03Å; D433-T461 VanDerWaalsContact O-CB 3.27Å; D433-T461 WeakPolarHBondContact O-CB 3.45Å; D433-T461 WeakPolarHBondContact O-CG2 3.33Å
434	C	97.8	Very high	97	Very high	18 Å²	18	66.7 Å²	66.7	12%	0.122	35%	0.349	C	S	.	.			trans	-66.9	127.1	-172.9	-57.5	0	0	0	0	112.8	C432 C451	C432-C434 PolarHBondContact O-N 2.88Å; C434-C451 WeakPolarHBondContact CA-SG 3.42Å; C434-C451 HydrophobicContact CB-CB 3.78Å; C434-C451 WeakPolarHBondContact CB-SG 3.24Å; C434-C451 WeakPolarHBondContact SG-CB 3.43Å; C434-C451 CovalentContact SG-SG 2.03Å; C434-C451 PolarHBondContact SG-SG 2.98Å
435	H	97.5	Very high	97	Very high	71 Å²	71	67.7 Å²	67.7	33%	0.329	35%	0.352	S	S	.	.			trans	-65.3	123.6	-176	-175.1	-120.8	0	0	0	111.4	D433 I437 G438 S439 T461 C462 N463	D433-H435 PolarHBondContact O-N 2.62Å; H435-I437 PolarHBondContact O-N 2.81Å; H435-I437 VanDerWaalsContact O-N 3.12Å; H435-G438 PolarHBondContact ND1-N 2.99Å; H435-G438 PolarHBondContact O-N 3.41Å; H435-S439 VanDerWaalsContact O-CB 3.29Å; H435-S439 WeakPolarHBondContact O-CB 3.06Å; H435-S439 PolarHBondContact O-N 2.84Å; H435-T461 WeakPolarHBondContact CB-O 3.39Å; H435-T461 PolarHBondContact N-O 2.84Å; H435-C462 WeakPolarHBondContact CB-O 3.45Å; H435-C462 PolarHBondContact ND1-O 2.98Å; H435-N463 HydrophobicContact CB-CB 4.35Å
436	P	96.5	Very high	96.7	Very high	111 Å²	111	67 Å²	67	72%	0.721	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-20.1	-165.5	25.3	-36.1	0	0	0	114.8
437	I	96.3	Very high	96.5	Very high	58 Å²	58	63.6 Å²	63.6	30%	0.297	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-36.4	177.5	-66.5	173	0	0	0	111.6	H435 K454 P478	H435-I437 PolarHBondContact O-N 2.81Å; H435-I437 VanDerWaalsContact O-N 3.12Å; I437-K454 WeakPolarHBondContact O-CD 3.36Å; I437-K454 VanDerWaalsContact O-CE 3.29Å; I437-K454 WeakPolarHBondContact O-CE 3.48Å; I437-K454 PolarHBondContact O-NZ 3.4Å; I437-P478 HydrophobicContact CG2-CB 3.68Å; I437-P478 HydrophobicContact CG2-CG 4.16Å
438	G	96.8	Very high	96.3	Very high	2 Å²	2	59.3 Å²	59.3	2%	0.021	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-21.2	-171.8	0	0	0	0	0	115.4	H435 K454 C462	H435-G438 PolarHBondContact ND1-N 2.99Å; H435-G438 PolarHBondContact O-N 3.41Å; G438-K454 PolarHBondContact O-N 3.08Å; G438-C462 WeakPolarHBondContact CA-O 3.37Å
439	S	97.4	Very high	96.3	Very high	8 Å²	8	59.4 Å²	59.4	6%	0.056	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-88.1	151	170.6	-165	0	0	0	0	110.6	H435 G441 P452 K454	H435-S439 VanDerWaalsContact O-CB 3.29Å; H435-S439 WeakPolarHBondContact O-CB 3.06Å; H435-S439 PolarHBondContact O-N 2.84Å; S439-G441 WeakPolarHBondContact CB-O 3.36Å; S439-G441 PolarHBondContact OG-N 3.29Å; S439-G441 PolarHBondContact OG-O 3.4Å; S439-P452 CarbonylContact C-O 3.36Å; S439-P452 WeakPolarHBondContact CA-O 3.29Å; S439-P452 PolarHBondContact OG-O 3.27Å; S439-P452 VanDerWaalsContact OG-O 3.12Å; S439-K454 WeakPolarHBondContact O-CE 3.47Å
440	S	96.1	Very high	96.3	Very high	90 Å²	90	62.4 Å²	62.4	63%	0.629	36%	0.358	S	S	*	.	S	Bend	trans	-83.1	-14.6	167.7	63.2	0	0	0	0	112.7	P452	S440-P452 PolarHBondContact N-O 2.86Å; S440-P452 PolarHBondContact OG-O 3Å
441	G	95.2	Very high	96.3	Very high	30 Å²	30	58.2 Å²	58.2	31%	0.309	34%	0.34	S	S	.	.			trans	-154.8	168.2	-179.8	0	0	0	0	0	114.5	S439	S439-G441 WeakPolarHBondContact CB-O 3.36Å; S439-G441 PolarHBondContact OG-N 3.29Å; S439-G441 PolarHBondContact OG-O 3.4Å
442	K	95.5	Very high	96.3	Very high	179 Å²	179	58.9 Å²	58.9	78%	0.778	34%	0.341	S	S	*	.	S	Bend	trans	-91.1	-10.4	179.2	-62.8	-175.5	-179.3	-179.1	0	114.2
443	I	96.9	Very high	96.3	Very high	94 Å²	94	60 Å²	60	48%	0.482	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-94.7	120.8	-179.7	-59.5	173.4	0	0	0	107.9	E413 P452	E413-I443 HydrophobicContact CB-CD1 4.37Å; I443-P452 VanDerWaalsContact O-CD 3.24Å; I443-P452 WeakPolarHBondContact O-CD 3.33Å
444	C	96.8	Very high	96.4	Very high	7 Å²	7	57.7 Å²	57.7	5%	0.047	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-95.7	165	171.7	72.4	0	0	0	0	111.4	C432 S446 G449 Q450 C451	C432-C444 HydrophobicContact CB-CB 3.64Å; C432-C444 WeakPolarHBondContact CB-SG 3.34Å; C432-C444 VanDerWaalsContact SG-CA 3.58Å; C432-C444 WeakPolarHBondContact SG-CB 3.35Å; C432-C444 PolarHBondContact SG-N 3.01Å; C432-C444 CovalentContact SG-SG 2.03Å; C432-C444 PolarHBondContact SG-SG 3.19Å; C444-S446 PolarHBondContact O-N 2.73Å; C444-G449 WeakPolarHBondContact CB-O 3.48Å; C444-Q450 WeakPolarHBondContact CA-O 3.32Å; C444-Q450 WeakPolarHBondContact CB-O 3.43Å; C444-C451 HydrophobicContact CB-CB 4.47Å
445	N	95.9	Very high	96.3	Very high	82 Å²	82	63.8 Å²	63.8	44%	0.439	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-58.6	124.8	173.2	-178.7	-63.2	0	0	0	110.4	Y416 T447 S448 G449 Q450	Y416-N445 WeakPolarHBondContact CB-O 3.18Å; N445-T447 PolarHBondContact O-N 2.88Å; N445-T447 WeakPolarHBondContact OD1-CA 3.09Å; N445-T447 PolarHBondContact OD1-N 3.47Å; N445-S448 WeakPolarHBondContact CB-OG 3Å; N445-S448 PolarHBondContact OD1-N 2.69Å; N445-S448 PolarHBondContact OD1-OG 3.05Å; N445-G449 VanDerWaalsContact O-CA 3.31Å; N445-G449 WeakPolarHBondContact O-CA 3.45Å; N445-G449 PolarHBondContact O-N 2.69Å; N445-Q450 PolarHBondContact N-O 3.21Å
446	S	93	Very high	96.2	Very high	59 Å²	59	61 Å²	61	41%	0.413	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-13.5	-173.1	56.7	0	0	0	0	114.8	Y416 R417 C444	Y416-S446 CarbonylContact C-O 3.38Å; Y416-S446 VanDerWaalsContact CA-O 3.28Å; Y416-S446 WeakPolarHBondContact CA-O 3.43Å; R417-S446 PolarHBondContact N-O 2.88Å; C444-S446 PolarHBondContact O-N 2.73Å
447	T	92.7	Very high	96.3	Very high	109 Å²	109	56.4 Å²	56.4	67%	0.669	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-49.3	176.3	-56.5	0	0	0	0	111.8	N445	N445-T447 PolarHBondContact O-N 2.88Å; N445-T447 WeakPolarHBondContact OD1-CA 3.09Å; N445-T447 PolarHBondContact OD1-N 3.47Å
448	S	94.5	Very high	96.3	Very high	66 Å²	66	56.4 Å²	56.4	46%	0.462	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-17.7	-174.7	67.1	0	0	0	0	114.9	N445 Q450	N445-S448 WeakPolarHBondContact CB-OG 3Å; N445-S448 PolarHBondContact OD1-N 2.69Å; N445-S448 PolarHBondContact OD1-OG 3.05Å; S448-Q450 PolarHBondContact O-N 3.43Å; S448-Q450 PolarHBondContact OG-N 2.91Å
449	G	95.9	Very high	96.3	Very high	2 Å²	2	56.7 Å²	56.7	2%	0.021	33%	0.331	C	S	.	.			trans	77	0.7	-173.8	0	0	0	0	0	115	C444 N445 C451	C444-G449 WeakPolarHBondContact CB-O 3.48Å; N445-G449 VanDerWaalsContact O-CA 3.31Å; N445-G449 WeakPolarHBondContact O-CA 3.45Å; N445-G449 PolarHBondContact O-N 2.69Å; G449-C451 PolarHBondContact O-N 2.89Å
450	Q	97.7	Very high	96.2	Very high	75 Å²	75	59.9 Å²	59.9	35%	0.35	35%	0.348	S	S	.	.			trans	-69.3	122.9	-178.5	-178	58.4	59.3	0	0	111.7	C444 N445 S448 C453 G459 L460	C444-Q450 WeakPolarHBondContact CA-O 3.32Å; C444-Q450 WeakPolarHBondContact CB-O 3.43Å; N445-Q450 PolarHBondContact N-O 3.21Å; S448-Q450 PolarHBondContact O-N 3.43Å; S448-Q450 PolarHBondContact OG-N 2.91Å; Q450-C453 PolarHBondContact NE2-SG 3.2Å; Q450-G459 PolarHBondContact NE2-O 3.15Å; Q450-L460 HydrophobicContact CB-CD1 4.32Å; Q450-L460 PolarHBondContact NE2-O 3.42Å
451	C	98	Very high	96.3	Very high	3 Å²	3	57.2 Å²	57.2	2%	0.02	33%	0.327	C	S	.	.			trans	-76.6	151.5	171.8	-64.4	0	0	0	0	111.5	C434 C444 G449 C453 L460 C462	C434-C451 WeakPolarHBondContact CA-SG 3.42Å; C434-C451 HydrophobicContact CB-CB 3.78Å; C434-C451 WeakPolarHBondContact CB-SG 3.24Å; C434-C451 WeakPolarHBondContact SG-CB 3.43Å; C434-C451 CovalentContact SG-SG 2.03Å; C434-C451 PolarHBondContact SG-SG 2.98Å; C444-C451 HydrophobicContact CB-CB 4.47Å; G449-C451 PolarHBondContact O-N 2.89Å; C451-C453 PolarHBondContact O-N 3.01Å; C451-C453 VanDerWaalsContact O-N 3.12Å; C451-L460 WeakPolarHBondContact CB-O 3.34Å; C451-L460 PolarHBondContact N-O 3.45Å; C451-L460 PolarHBondContact SG-O 3.41Å; C451-C462 VanDerWaalsContact CB-SG 3.52Å; C451-C462 PolarHBondContact O-SG 3.13Å
452	P	97.7	Very high	96.4	Very high	53 Å²	53	55.8 Å²	55.8	34%	0.344	31%	0.313	S	S	.	.			trans	-76.7	98.1	178	31.5	-35	0	0	0	110.2	S439 S440 I443	S439-P452 CarbonylContact C-O 3.36Å; S439-P452 WeakPolarHBondContact CA-O 3.29Å; S439-P452 PolarHBondContact OG-O 3.27Å; S439-P452 VanDerWaalsContact OG-O 3.12Å; S440-P452 PolarHBondContact N-O 2.86Å; S440-P452 PolarHBondContact OG-O 3Å; I443-P452 VanDerWaalsContact O-CD 3.24Å; I443-P452 WeakPolarHBondContact O-CD 3.33Å
453	C	97.8	Very high	96.5	Very high	43 Å²	43	51.7 Å²	51.7	29%	0.291	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-76	147.2	-175.8	-56.5	0	0	0	0	112.3	Q450 C451 V457 C462	Q450-C453 PolarHBondContact NE2-SG 3.2Å; C451-C453 PolarHBondContact O-N 3.01Å; C451-C453 VanDerWaalsContact O-N 3.12Å; C453-V457 HydrophobicContact CB-CB 4.14Å; C453-V457 HydrophobicContact CB-CG1 4.43Å; C453-C462 WeakPolarHBondContact CA-SG 3.32Å; C453-C462 HydrophobicContact CB-CB 3.77Å; C453-C462 WeakPolarHBondContact CB-SG 3.38Å; C453-C462 PolarHBondContact N-SG 2.78Å; C453-C462 VanDerWaalsContact SG-CA 3.5Å; C453-C462 WeakPolarHBondContact SG-CB 3.19Å; C453-C462 CovalentContact SG-SG 2.04Å; C453-C462 PolarHBondContact SG-SG 3.07Å
454	K	97.6	Very high	96.5	Very high	51 Å²	51	54.9 Å²	54.9	22%	0.222	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-72.3	165.9	167.9	-65.6	178	177.3	175.7	0	111.3	I437 G438 S439 G456 V457 H475 I476 P478	I437-K454 WeakPolarHBondContact O-CD 3.36Å; I437-K454 VanDerWaalsContact O-CE 3.29Å; I437-K454 WeakPolarHBondContact O-CE 3.48Å; I437-K454 PolarHBondContact O-NZ 3.4Å; G438-K454 PolarHBondContact O-N 3.08Å; S439-K454 WeakPolarHBondContact O-CE 3.47Å; K454-G456 PolarHBondContact O-N 3.38Å; K454-V457 HydrophobicContact CB-CG2 3.96Å; K454-V457 VanDerWaalsContact O-CB 3.28Å; K454-V457 WeakPolarHBondContact O-CB 3.37Å; K454-V457 PolarHBondContact O-N 3.14Å; K454-H475 PolarHBondContact NZ-O 2.59Å; K454-I476 WeakPolarHBondContact CD-O 3.42Å; K454-I476 PolarHBondContact NZ-O 2.81Å; K454-P478 HydrophobicContact CD-CG 4.17Å
455	D	96.4	Very high	96.5	Very high	147 Å²	147	56.1 Å²	56.1	79%	0.786	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	133.8	177.7	-53	-55.3	0	0	0	112	V457	D455-V457 PolarHBondContact O-N 2.97Å
456	G	96.3	Very high	96.6	Very high	11 Å²	11	53.5 Å²	53.5	11%	0.113	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.4	1.5	-176.3	0	0	0	0	0	115.8	K454 C465 A466 Y469 C479	K454-G456 PolarHBondContact O-N 3.38Å; G456-C465 CarbonylContact O-C 3.52Å; G456-C465 WeakPolarHBondContact O-CA 3.47Å; G456-A466 PolarHBondContact O-N 2.89Å; G456-Y469 VanDerWaalsContact CA-CE1 3.41Å; G456-C479 VanDerWaalsContact O-CB 3.29Å; G456-C479 WeakPolarHBondContact O-CB 3.49Å
457	V	98.1	Very high	96.7	Very high	16 Å²	16	62.7 Å²	62.7	10%	0.097	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	146.6	177.7	-169	0	0	0	0	110.6	C453 K454 D455 C462 R464 P478 C479	C453-V457 HydrophobicContact CB-CB 4.14Å; C453-V457 HydrophobicContact CB-CG1 4.43Å; K454-V457 HydrophobicContact CB-CG2 3.96Å; K454-V457 VanDerWaalsContact O-CB 3.28Å; K454-V457 WeakPolarHBondContact O-CB 3.37Å; K454-V457 PolarHBondContact O-N 3.14Å; D455-V457 PolarHBondContact O-N 2.97Å; V457-C462 HydrophobicContact CG1-CB 3.81Å; V457-C462 VanDerWaalsContact CG1-O 3.25Å; V457-C462 WeakPolarHBondContact CG1-O 3.26Å; V457-R464 WeakPolarHBondContact CG1-O 3.04Å; V457-P478 HydrophobicContact CG2-CG 3.89Å; V457-C479 HydrophobicContact CG2-CB 4.13Å
458	T	97.2	Very high	96.8	Very high	58 Å²	58	59.1 Å²	59.1	36%	0.356	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	-179.6	179.7	-165.4	0	0	0	0	112.8	C462 N463 R464 A466	T458-C462 CarbonylContact O-C 3.48Å; T458-C462 WeakPolarHBondContact O-CA 3.39Å; T458-N463 PolarHBondContact O-N 3.45Å; T458-R464 HydrophobicContact CG2-CG 3.88Å; T458-R464 PolarHBondContact N-O 3.24Å; T458-R464 PolarHBondContact O-N 2.91Å; T458-A466 HydrophobicContact CG2-CB 4.28Å
459	G	96.3	Very high	96.9	Very high	7 Å²	7	60 Å²	60	7%	0.072	31%	0.308	C	S	.	.	S	Bend	trans	91.8	157.4	-172.1	0	0	0	0	0	112.5	Q450 T461 C462	Q450-G459 PolarHBondContact NE2-O 3.15Å; G459-T461 PolarHBondContact O-N 2.87Å; G459-T461 VanDerWaalsContact O-N 3.15Å; G459-C462 PolarHBondContact O-N 3.11Å
460	L	95.8	Very high	96.8	Very high	76 Å²	76	64 Å²	64	40%	0.398	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-38.9	-176.4	-169.3	73.8	0	0	0	112.5	Q450 C451	Q450-L460 HydrophobicContact CB-CD1 4.32Å; Q450-L460 PolarHBondContact NE2-O 3.42Å; C451-L460 WeakPolarHBondContact CB-O 3.34Å; C451-L460 PolarHBondContact N-O 3.45Å; C451-L460 PolarHBondContact SG-O 3.41Å
461	T	97.7	Very high	96.6	Very high	34 Å²	34	68.2 Å²	68.2	21%	0.209	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	7.3	-179.4	51.9	0	0	0	0	113.7	D433 H435 G459	D433-T461 HydrophobicContact CB-CG2 4.03Å; D433-T461 VanDerWaalsContact O-CB 3.27Å; D433-T461 WeakPolarHBondContact O-CB 3.45Å; D433-T461 WeakPolarHBondContact O-CG2 3.33Å; H435-T461 WeakPolarHBondContact CB-O 3.39Å; H435-T461 PolarHBondContact N-O 2.84Å; G459-T461 PolarHBondContact O-N 2.87Å; G459-T461 VanDerWaalsContact O-N 3.15Å
462	C	97.8	Very high	96.4	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	35%	0.353	C	S	.	.	S	Bend	trans	57.8	44.7	-176.9	-48.5	0	0	0	0	113.6	H435 G438 C451 C453 V457 T458 G459	H435-C462 WeakPolarHBondContact CB-O 3.45Å; H435-C462 PolarHBondContact ND1-O 2.98Å; G438-C462 WeakPolarHBondContact CA-O 3.37Å; C451-C462 VanDerWaalsContact CB-SG 3.52Å; C451-C462 PolarHBondContact O-SG 3.13Å; C453-C462 WeakPolarHBondContact CA-SG 3.32Å; C453-C462 HydrophobicContact CB-CB 3.77Å; C453-C462 WeakPolarHBondContact CB-SG 3.38Å; C453-C462 PolarHBondContact N-SG 2.78Å; C453-C462 VanDerWaalsContact SG-CA 3.5Å; C453-C462 WeakPolarHBondContact SG-CB 3.19Å; C453-C462 CovalentContact SG-SG 2.04Å; C453-C462 PolarHBondContact SG-SG 3.07Å; V457-C462 HydrophobicContact CG1-CB 3.81Å; V457-C462 VanDerWaalsContact CG1-O 3.25Å; V457-C462 WeakPolarHBondContact CG1-O 3.26Å; T458-C462 CarbonylContact O-C 3.48Å; T458-C462 WeakPolarHBondContact O-CA 3.39Å; G459-C462 PolarHBondContact O-N 3.11Å
463	N	96.9	Very high	96.2	Very high	92 Å²	92	78.9 Å²	78.9	49%	0.492	38%	0.382	S	S	.	.			trans	-103.1	3.9	-168.9	69.5	-30.3	0	0	0	115	H435 T458	H435-N463 HydrophobicContact CB-CB 4.35Å; T458-N463 PolarHBondContact O-N 3.45Å
464	R	97	Very high	96	Very high	161 Å²	161	79.2 Å²	79.2	61%	0.608	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-151.5	156.4	-178.6	62.4	-173.1	-178.5	-155.2	1.1	111.7	V457 T458	V457-R464 WeakPolarHBondContact CG1-O 3.04Å; T458-R464 HydrophobicContact CG2-CG 3.88Å; T458-R464 PolarHBondContact N-O 3.24Å; T458-R464 PolarHBondContact O-N 2.91Å
465	C	97	Very high	95.8	Very high	33 Å²	33	83.2 Å²	83.2	22%	0.223	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	152.8	172.2	-58.1	0	0	0	0	112.1	G456 C479	G456-C465 CarbonylContact O-C 3.52Å; G456-C465 WeakPolarHBondContact O-CA 3.47Å; C465-C479 WeakPolarHBondContact CA-SG 3.26Å; C465-C479 HydrophobicContact CB-CB 3.81Å; C465-C479 WeakPolarHBondContact CB-SG 3.41Å; C465-C479 WeakPolarHBondContact SG-CB 3.01Å; C465-C479 CovalentContact SG-SG 2.04Å; C465-C479 PolarHBondContact SG-SG 2.81Å
466	A	97.1	Very high	95.7	Very high	28 Å²	28	83.1 Å²	83.1	23%	0.231	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-71.6	163.3	171.9	0	0	0	0	0	111.6	G456 T458 G468 Y469	G456-A466 PolarHBondContact O-N 2.89Å; T458-A466 HydrophobicContact CG2-CB 4.28Å; A466-G468 PolarHBondContact O-N 2.03Å; A466-Y469 HydrophobicContact CB-CD2 4.07Å; A466-Y469 WeakPolarHBondContact O-CB 3.44Å; A466-Y469 PolarHBondContact O-N 2.77Å
467	R	95.4	Very high	95.6	Very high	252 Å²	252	85 Å²	85	95%	0.951	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	129.3	176.8	-171.7	176.7	-178.2	176.5	-0.1	109.7
468	G	94.5	Very high	95.5	Very high	33 Å²	33	84.6 Å²	84.6	34%	0.34	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.2	5	-174.1	0	0	0	0	0	114.9	A466 Q482	A466-G468 PolarHBondContact O-N 2.03Å; G468-Q482 PolarHBondContact O-N 2.86Å
469	Y	96.3	Very high	95.5	Very high	86 Å²	86	82.4 Å²	82.4	34%	0.337	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	149.9	170.8	-70.8	-108	0	0	0	110.8	G456 A466 C479 I480 K481	G456-Y469 VanDerWaalsContact CA-CE1 3.41Å; A466-Y469 HydrophobicContact CB-CD2 4.07Å; A466-Y469 WeakPolarHBondContact O-CB 3.44Å; A466-Y469 PolarHBondContact O-N 2.77Å; Y469-C479 HydrophobicContact CD1-CB 4.35Å; Y469-I480 CarbonylContact C-O 3.52Å; Y469-I480 VanDerWaalsContact CA-O 3.26Å; Y469-I480 WeakPolarHBondContact CA-O 3.33Å; Y469-I480 VanDerWaalsContact CD1-C 3.42Å; Y469-K481 HydrophobicContact CD1-CB 4.37Å; Y469-K481 HydrophobicContact CE1-CB 4.16Å
470	Q	93.6	Very high	95.4	Very high	84 Å²	84	85.7 Å²	85.7	39%	0.393	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	152.3	175.2	62.7	-175.7	3.7	0	0	110.9	S472 C479 I480 Q482	Q470-S472 PolarHBondContact O-N 3.4Å; Q470-C479 WeakPolarHBondContact O-CA 3.22Å; Q470-I480 HydrophobicContact CG-CD1 4.48Å; Q470-I480 HydrophobicContact CG-CG1 3.9Å; Q470-I480 PolarHBondContact N-O 3.12Å; Q470-I480 PolarHBondContact O-N 3.01Å; Q470-Q482 HydrophobicContact CB-CG 3.85Å; Q470-Q482 HydrophobicContact CG-CG 3.92Å
471	Q	94.8	Very high	95.3	Very high	164 Å²	164	90 Å²	90	77%	0.766	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	132.8	-178.8	-170.3	174	6.7	0	0	110.9	P478	Q471-P478 CarbonylContact C-O 3.58Å; Q471-P478 WeakPolarHBondContact CA-O 3.37Å
472	S	93.4	Very high	94.8	Very high	27 Å²	27	93 Å²	93	19%	0.189	44%	0.443	C	S	.	.			trans	-101	168.2	175.3	102.2	0	0	0	0	111.1	Q470 S474 A477 P478	Q470-S472 PolarHBondContact O-N 3.4Å; S472-S474 VanDerWaalsContact C-N 3.27Å; S472-S474 WeakPolarHBondContact OG-CB 3.41Å; S472-S474 PolarHBondContact OG-N 2.79Å; S472-A477 PolarHBondContact OG-O 3.13Å; S472-P478 PolarHBondContact N-O 3.27Å
473	R	93.4	Very high	93.8	Very high	254 Å²	254	97.3 Å²	97.3	96%	0.958	47%	0.471	S	S	*	.	S	Bend	trans	-81.6	-0.7	172.1	-62.9	-176.6	-178.2	174.7	0.9	113.4
474	S	93	Very high	92.6	Very high	49 Å²	49	98.6 Å²	98.6	34%	0.343	49%	0.485	S	S	.	.			trans	-89.1	126.9	-177.8	-178.7	0	0	0	0	112	S472 I476 A477 P478	S472-S474 VanDerWaalsContact C-N 3.27Å; S472-S474 WeakPolarHBondContact OG-CB 3.41Å; S472-S474 PolarHBondContact OG-N 2.79Å; S474-I476 PolarHBondContact O-N 2.96Å; S474-I476 PolarHBondContact OG-N 2.86Å; S474-A477 CarbonylContact O-C 3.53Å; S474-A477 PolarHBondContact OG-N 3.3Å; S474-P478 VanDerWaalsContact O-CA 3.25Å; S474-P478 WeakPolarHBondContact O-CA 2.93Å
475	H	93.5	Very high	90.7	Very high	136 Å²	136	102.1 Å²	102.1	63%	0.63	50%	0.498	S	S	*	.	S	Bend	trans	-68.5	-20.7	169.9	-63.4	172.6	0	0	0	112.8	K454	K454-H475 PolarHBondContact NZ-O 2.59Å
476	I	94	Very high	88.4	Confident	145 Å²	145	109.4 Å²	109.4	74%	0.744	53%	0.531	S	S	*	.	S	Bend	trans	-79.3	-57.4	-179.3	-59.7	174.1	0	0	0	109	K454 S474 P478	K454-I476 WeakPolarHBondContact CD-O 3.42Å; K454-I476 PolarHBondContact NZ-O 2.81Å; S474-I476 PolarHBondContact O-N 2.96Å; S474-I476 PolarHBondContact OG-N 2.86Å; I476-P478 VanDerWaalsContact O-CD 3.23Å; I476-P478 WeakPolarHBondContact O-CD 3.48Å
477	A	94.5	Very high	86.1	Confident	49 Å²	49	115.3 Å²	115.3	41%	0.405	56%	0.557	S	S	.	*	S	Bend	trans	-114.8	78.4	180	0	0	0	0	0	110.9	S472 S474 C479	S472-A477 PolarHBondContact OG-O 3.13Å; S474-A477 CarbonylContact O-C 3.53Å; S474-A477 PolarHBondContact OG-N 3.3Å; A477-C479 VanDerWaalsContact C-N 3.29Å; A477-C479 PolarHBondContact O-N 2.81Å
478	P	96.4	Very high	83.5	Confident	9 Å²	9	110.5 Å²	110.5	6%	0.058	55%	0.551	C	S	.	*			trans	-75.6	-12.5	-168.2	31.6	-38.8	0	0	0	114.7	I437 K454 V457 Q471 S472 S474 I476	I437-P478 HydrophobicContact CG2-CB 3.68Å; I437-P478 HydrophobicContact CG2-CG 4.16Å; K454-P478 HydrophobicContact CD-CG 4.17Å; V457-P478 HydrophobicContact CG2-CG 3.89Å; Q471-P478 CarbonylContact C-O 3.58Å; Q471-P478 WeakPolarHBondContact CA-O 3.37Å; S472-P478 PolarHBondContact N-O 3.27Å; S474-P478 VanDerWaalsContact O-CA 3.25Å; S474-P478 WeakPolarHBondContact O-CA 2.93Å; I476-P478 VanDerWaalsContact O-CD 3.23Å; I476-P478 WeakPolarHBondContact O-CD 3.48Å
479	C	96.8	Very high	81.1	Confident	12 Å²	12	117.1 Å²	117.1	8%	0.081	58%	0.575	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-129.6	122.1	175.6	-68.6	0	0	0	0	108.7	G456 V457 C465 Y469 Q470 A477	G456-C479 VanDerWaalsContact O-CB 3.29Å; G456-C479 WeakPolarHBondContact O-CB 3.49Å; V457-C479 HydrophobicContact CG2-CB 4.13Å; C465-C479 WeakPolarHBondContact CA-SG 3.26Å; C465-C479 HydrophobicContact CB-CB 3.81Å; C465-C479 WeakPolarHBondContact CB-SG 3.41Å; C465-C479 WeakPolarHBondContact SG-CB 3.01Å; C465-C479 CovalentContact SG-SG 2.04Å; C465-C479 PolarHBondContact SG-SG 2.81Å; Y469-C479 HydrophobicContact CD1-CB 4.35Å; Q470-C479 WeakPolarHBondContact O-CA 3.22Å; A477-C479 VanDerWaalsContact C-N 3.29Å; A477-C479 PolarHBondContact O-N 2.81Å
480	I	95.4	Very high	78.4	Confident	76 Å²	76	121 Å²	121	39%	0.39	60%	0.601	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.6	145.6	178.5	56.2	173.9	0	0	0	109.8	Y469 Q470 Q482	Y469-I480 CarbonylContact C-O 3.52Å; Y469-I480 VanDerWaalsContact CA-O 3.26Å; Y469-I480 WeakPolarHBondContact CA-O 3.33Å; Y469-I480 VanDerWaalsContact CD1-C 3.42Å; Q470-I480 HydrophobicContact CG-CD1 4.48Å; Q470-I480 HydrophobicContact CG-CG1 3.9Å; Q470-I480 PolarHBondContact N-O 3.12Å; Q470-I480 PolarHBondContact O-N 3.01Å; I480-Q482 PolarHBondContact O-N 2.85Å
481	K	93.5	Very high	75.9	Confident	165 Å²	165	123.7 Å²	123.7	72%	0.717	62%	0.617	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-60.1	133.5	178.3	-166	177	-178.5	-178.7	0	108.9	Y469	Y469-K481 HydrophobicContact CD1-CB 4.37Å; Y469-K481 HydrophobicContact CE1-CB 4.16Å
482	Q	85.8	Confident	73.4	Confident	97 Å²	97	120.7 Å²	120.7	45%	0.453	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-64.5	134.8	173.9	-71.9	176.7	-34.2	0	0	108.7	G468 Q470 I480	G468-Q482 PolarHBondContact O-N 2.86Å; Q470-Q482 HydrophobicContact CB-CG 3.85Å; Q470-Q482 HydrophobicContact CG-CG 3.92Å; I480-Q482 PolarHBondContact O-N 2.85Å
483	P	78	Confident	70.9	Confident	91 Å²	91	126.6 Å²	126.6	59%	0.591	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-60	144.4	169.9	27.4	-33.7	0	0	0	108.8	R485	P483-R485 PolarHBondContact O-N 2.93Å
484	P	70.7	Confident	68.2	Low	119 Å²	119	120.8 Å²	120.8	77%	0.773	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-57.7	129.3	174.7	25.8	-33.3	0	0	0	108.7	M486	P484-M486 PolarHBondContact O-N 2.78Å
485	R	58.5	Low	65.7	Low	236 Å²	236	125.5 Å²	125.5	89%	0.891	65%	0.65	S	S	*	*			trans	-63.1	113.2	169.3	-75.9	-176	172.2	-172.6	-3.9	107	P483 I487	P483-R485 PolarHBondContact O-N 2.93Å; R485-I487 PolarHBondContact O-N 3.28Å
486	M	47.5	Very low	63.2	Low	185 Å²	185	123.1 Å²	123.1	91%	0.911	65%	0.654	S	S	*	*			trans	-61.9	106.1	168.6	-74.4	177.6	163.9	0	0	107.9	P484	P484-M486 PolarHBondContact O-N 2.78Å
487	I	49.4	Very low	60.6	Low	152 Å²	152	122 Å²	122	78%	0.779	66%	0.656	S	S	*	*			trans	-86.4	124.5	166.4	-64.1	174.4	0	0	0	105.2	R485 M489	R485-I487 PolarHBondContact O-N 3.28Å; I487-M489 PolarHBondContact O-N 2.94Å; I487-M489 VanDerWaalsContact O-N 3.09Å
488	N	40	Very low	58.4	Low	152 Å²	152	128.5 Å²	128.5	81%	0.813	68%	0.678	S	S	*	*			trans	-61.6	112.7	177.2	-69.6	-5.3	0	0	0	110.2
489	M	44.5	Very low	55.9	Low	172 Å²	172	133.2 Å²	133.2	85%	0.847	71%	0.708	S	S	*	*			trans	-142.1	130.7	142.2	-72.4	-150.5	-52.8	0	0	109.1	I487	I487-M489 PolarHBondContact O-N 2.94Å; I487-M489 VanDerWaalsContact O-N 3.09Å
490	L	39.5	Very low	53	Low	168 Å²	168	140.2 Å²	140.2	88%	0.88	75%	0.745	S	S	*	*			trans	-63.9	130.6	147.8	-82.4	54.8	0	0	0	106.3
491	D	41.1	Very low	50.5	Low	139 Å²	139	145.1 Å²	145.1	74%	0.743	77%	0.766	S	S	*	*				-165.5	167.3	110.1	-135.4	-49.4	0	0	0	112
492	T	42.7	Very low	48.2	Very low	101 Å²	101	141.8 Å²	141.8	62%	0.62	76%	0.761	S	S	*	*			trans	-1.8	147.4	150.7	38.6	0	0	0	0	118.8
493	Q	40.2	Very low	46	Very low	151 Å²	151	146 Å²	146	71%	0.706	78%	0.781	S	S	*	*			cis	171.6	151.3	-12	-117.3	178.7	39.2	0	0	104.3
494	N	37.6	Very low	44.2	Very low	132 Å²	132	146.5 Å²	146.5	71%	0.706	79%	0.787	S	S	*	*			trans	57.6	118.3	155.8	-47.5	-26.3	0	0	0	120.1
495	T	40.2	Very low	43	Very low	148 Å²	148	146 Å²	146	91%	0.908	79%	0.786	S	S	*	*				-169.1	144.3	113.5	-71.7	0	0	0	0	110.7
496	A	41.7	Very low	42.1	Very low	86 Å²	86	140.7 Å²	140.7	71%	0.711	78%	0.783	S	S	*	*			trans	-40.9	152.3	-169	0	0	0	0	0	121.3
497	P	37.7	Very low	41.7	Very low	121 Å²	121	135.6 Å²	135.6	79%	0.786	78%	0.777	S	S	*	*			trans	-95.9	163.1	154.5	38.9	-31.5	0	0	0	112.9
498	E	49.9	Very low	41.1	Very low	186 Å²	186	134.4 Å²	134.4	87%	0.869	78%	0.782	S	S	*	*			trans	-140.7	159.7	171.9	-88.1	-89.3	97.4	0	0	109.3
499	P	42.8	Very low	40.9	Very low	108 Å²	108	131 Å²	131	70%	0.701	78%	0.783	S	S	*	*			trans	-117.5	169.8	-139.6	41.5	-35.2	0	0	0	118.5
500	D	35.8	Very low	40.4	Very low	159 Å²	159	126.3 Å²	126.3	85%	0.85	78%	0.779	S	S	*	*			trans	-83.2	158.6	161.5	-62.4	-71.2	0	0	0	112
501	E	43.7	Very low	40.1	Very low	180 Å²	180	124.5 Å²	124.5	84%	0.841	77%	0.77	S	S	*	*			trans	-166.9	161.4	154.9	-98.2	-62.1	82.1	0	0	108.9
502	P	44.1	Very low	39.8	Very low	94 Å²	94	128.1 Å²	128.1	61%	0.61	77%	0.773	S	S	*	*			trans	-142.1	-151.9	-131.1	37.1	-11.9	0	0	0	116.1
503	E	39.7	Very low	39.3	Very low	185 Å²	185	130.5 Å²	130.5	86%	0.864	78%	0.782	S	S	*	*			trans	72	148.4	163.9	-71.3	-167.6	162.6	0	0	118.9
504	S	41.5	Very low	38.8	Very low	103 Å²	103	127.3 Å²	127.3	72%	0.72	79%	0.79	S	S	*	*			cis	-152.4	-167.2	-13.1	58.8	0	0	0	0	108
505	S	45.3	Very low	38.5	Very low	107 Å²	107	125.8 Å²	125.8	75%	0.748	80%	0.796	S	S	*	*			cis	-158.6	166.3	7.9	-138.1	0	0	0	0	110.6
506	P	39.9	Very low	38.1	Very low	126 Å²	126	124.1 Å²	124.1	82%	0.818	80%	0.797	S	S	*	*			trans	-118.9	166.3	-163.8	41.6	-32.6	0	0	0	118
507	G	37.6	Very low	37.5	Very low	77 Å²	77	123.5 Å²	123.5	79%	0.794	80%	0.799	S	S	*	*			trans	127.8	165.1	154.1	0	0	0	0	0	116.6
508	S	38.7	Very low	37.2	Very low	127 Å²	127	127.2 Å²	127.2	89%	0.888	81%	0.808	S	S	*	*			cis	-168	139.4	-28.2	-166.7	0	0	0	0	110.7
509	G	35.4	Very low	36.4	Very low	81 Å²	81	123.1 Å²	123.1	84%	0.835	81%	0.806	S	S	*	*			trans	72.1	163.4	174.4	0	0	0	0	0	116.4
510	G	32.9	Very low	36	Very low	74 Å²	74	122.7 Å²	122.7	76%	0.763	81%	0.812	S	S	*	*			cis	-173.6	146.9	-6.5	0	0	0	0	0	113.6
511	D	34	Very low	36.3	Very low	130 Å²	130	124 Å²	124	70%	0.695	81%	0.813	S	S	*	*			trans	39.3	115.2	159.2	-79.1	-56.9	0	0	0	124.7
512	R	35.2	Very low	36.3	Very low	214 Å²	214	119.1 Å²	119.1	81%	0.808	80%	0.799	S	S	*	*				64.3	149	117.8	-71.5	177.7	-178.5	177	-2.2	123.8
513	N	31.5	Very low	37	Very low	151 Å²	151	121 Å²	121	81%	0.807	80%	0.799	S	S	*	*			trans	72.7	78.8	149.5	-64.4	-5.2	0	0	0	120
514	G	29.5	Very low	38.2	Very low	84 Å²	84	118.9 Å²	118.9	87%	0.866	79%	0.785	S	S	*	*				23	126.7	127.9	0	0	0	0	0	122
515	A	30.7	Very low	39.6	Very low	101 Å²	101	118.5 Å²	118.5	84%	0.835	77%	0.768	S	S	*	*			trans	-136.6	140.7	154.8	0	0	0	0	0	110.3	G517	A515-G517 PolarHBondContact O-N 2.84Å
516	A	32.6	Very low	40.7	Very low	113 Å²	113	121.1 Å²	121.1	93%	0.934	76%	0.761	S	S	*	*			trans	-81.7	107.9	169.7	0	0	0	0	0	109.4
517	G	29.6	Very low	42.1	Very low	72 Å²	72	116.6 Å²	116.6	74%	0.742	73%	0.731	S	S	*	*			trans	-123.3	100.7	-169.6	0	0	0	0	0	114.2	A515 A519	A515-G517 PolarHBondContact O-N 2.84Å; G517-A519 PolarHBondContact O-N 2.8Å
518	M	31.1	Very low	43.3	Very low	199 Å²	199	121.2 Å²	121.2	98%	0.98	73%	0.733	S	S	*	*			trans	-16.3	102.9	168.5	-54.8	179.6	-168.4	0	0	117.6
519	A	33	Very low	44.5	Very low	100 Å²	100	118.3 Å²	118.3	83%	0.826	72%	0.722	S	S	*	*			trans	-93.2	128.2	161.3	0	0	0	0	0	110.6	G517	G517-A519 PolarHBondContact O-N 2.8Å
520	A	35.1	Very low	46	Very low	100 Å²	100	116 Å²	116	83%	0.826	70%	0.699	S	S	*	*			trans	-70.4	160	-170.9	0	0	0	0	0	114.6	S522	A520-S522 PolarHBondContact O-N 2.84Å
521	Q	40.4	Very low	47.6	Very low	185 Å²	185	118.5 Å²	118.5	86%	0.864	69%	0.685	S	S	*	*			trans	-77.2	81.8	-168.7	-59.2	-177.3	26.6	0	0	114.2
522	S	45	Very low	49.6	Very low	78 Å²	78	118 Å²	118	55%	0.545	68%	0.679	S	S	.	*			trans	-61.2	139.2	162.2	72.9	0	0	0	0	110.4	A520 Y524 K535	A520-S522 PolarHBondContact O-N 2.84Å; S522-Y524 VanDerWaalsContact C-N 3.32Å; S522-Y524 PolarHBondContact OG-O 3.37Å; S522-K535 WeakPolarHBondContact O-CE 3.18Å; S522-K535 PolarHBondContact O-NZ 3.07Å
523	Q	59.3	Low	51.5	Low	134 Å²	134	107.9 Å²	107.9	63%	0.626	64%	0.641	S	S	*	*	S	Bend	trans	-88.5	-2.5	175.9	-65.2	-166.3	10	0	0	113.3	K535	Q523-K535 WeakPolarHBondContact O-CG 3.3Å; Q523-K535 PolarHBondContact O-N 3.27Å
524	Y	63.7	Low	53.3	Low	141 Å²	141	102.5 Å²	102.5	55%	0.553	62%	0.621	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-125.5	153.8	-170.2	-55.4	-83.8	0	0	0	111.4	S522 C533	S522-Y524 VanDerWaalsContact C-N 3.32Å; S522-Y524 PolarHBondContact OG-O 3.37Å; Y524-C533 CarbonylContact C-O 2.94Å; Y524-C533 VanDerWaalsContact CA-O 3.24Å; Y524-C533 WeakPolarHBondContact CA-O 2.99Å
525	Y	71.8	Confident	55	Low	95 Å²	95	104.8 Å²	104.8	37%	0.373	61%	0.607	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-134.9	148.4	173.4	72	-81.8	0	0	0	109.8	T527 C533 C671	Y525-T527 HydrophobicContact CE2-CG2 4.36Å; Y525-C533 HydrophobicContact CD1-CB 3.96Å; Y525-C533 WeakPolarHBondContact CD1-O 3.17Å; Y525-C533 HydrophobicContact CE1-CB 3.48Å; Y525-C533 VanDerWaalsContact CE1-CB 3.48Å; Y525-C533 HydrophobicContact CE2-CB 4.11Å; Y525-C533 HydrophobicContact CG-CB 4.45Å; Y525-C533 PolarHBondContact N-O 2.84Å; Y525-C533 PolarHBondContact O-N 2.77Å; Y525-C671 PolarHBondContact OH-O 2.61Å
526	R	68.3	Low	56.7	Low	161 Å²	161	102.2 Å²	102.2	61%	0.608	58%	0.582	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88.7	146	178.4	-143.4	176.3	-159.5	87.5	18.2	110.9	G530 R531 E532	R526-G530 VanDerWaalsContact CZ-O 3.32Å; R526-G530 PolarHBondContact NE-O 2.96Å; R526-G530 PolarHBondContact NH2-O 3Å; R526-G530 VanDerWaalsContact NH2-O 3.07Å; R526-R531 WeakPolarHBondContact CA-O 3.22Å; R526-E532 HydrophobicContact CG-CG 4.28Å; R526-E532 IonicContact CZ-OE1 2.61Å; R526-E532 IonicContact NH1-OE1 2.74Å; R526-E532 PolarHBondContact NH1-OE1 3.18Å; R526-E532 IonicContact NH2-OE1 3.99Å; R526-E532 PolarHBondContact NH2-OE1 3.08Å
527	T	69.2	Low	58.1	Low	31 Å²	31	108.5 Å²	108.5	19%	0.19	58%	0.582	C	S	.	*			trans	-93.8	165.5	173.9	54	0	0	0	0	111.5	Y525 G529 G530 R531 C533	Y525-T527 HydrophobicContact CE2-CG2 4.36Å; T527-G529 PolarHBondContact O-N 3.44Å; T527-G530 PolarHBondContact O-N 2.63Å; T527-R531 PolarHBondContact N-O 2.83Å; T527-R531 PolarHBondContact OG1-N 3.09Å; T527-R531 VanDerWaalsContact OG1-N 3.17Å; T527-R531 PolarHBondContact OG1-O 3.28Å; T527-C533 VanDerWaalsContact CG2-SG 3.51Å
528	E	61.7	Low	59.2	Low	175 Å²	175	110.2 Å²	110.2	82%	0.818	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57	-31.3	174	-66.8	158.9	123.4	0	0	111.9	G530 R672	E528-G530 VanDerWaalsContact C-N 3.3Å; E528-G530 PolarHBondContact O-N 3.37Å; E528-R672 IonicContact OE2-CZ 3.95Å; E528-R672 IonicContact OE2-NH2 3.38Å; E528-R672 PolarHBondContact OE2-NH2 3.35Å
529	G	64.2	Low	60.1	Low	65 Å²	65	103.3 Å²	103.3	67%	0.67	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	18.6	172.2	0	0	0	0	0	115.1	T527 R531	T527-G529 PolarHBondContact O-N 3.44Å; G529-R531 PolarHBondContact O-N 3.02Å
530	G	66.9	Low	61	Low	34 Å²	34	101.7 Å²	101.7	35%	0.351	53%	0.529	S	S	.	.	S	Bend	trans	74.2	-7.5	172.3	0	0	0	0	0	117.1	R526 T527 E528	R526-G530 VanDerWaalsContact CZ-O 3.32Å; R526-G530 PolarHBondContact NE-O 2.96Å; R526-G530 PolarHBondContact NH2-O 3Å; R526-G530 VanDerWaalsContact NH2-O 3.07Å; T527-G530 PolarHBondContact O-N 2.63Å; E528-G530 VanDerWaalsContact C-N 3.3Å; E528-G530 PolarHBondContact O-N 3.37Å
531	R	67.5	Low	61.7	Low	125 Å²	125	106.2 Å²	106.2	47%	0.472	53%	0.53	S	S	.	.			trans	-69.6	142.1	173.5	-76.9	-178.7	168.5	91	-11.3	111.6	R526 T527 G529 E670	R526-R531 WeakPolarHBondContact CA-O 3.22Å; T527-R531 PolarHBondContact N-O 2.83Å; T527-R531 PolarHBondContact OG1-N 3.09Å; T527-R531 VanDerWaalsContact OG1-N 3.17Å; T527-R531 PolarHBondContact OG1-O 3.28Å; G529-R531 PolarHBondContact O-N 3.02Å; R531-E670 WeakPolarHBondContact CD-OE2 3.03Å; R531-E670 IonicContact CZ-OE1 3.76Å; R531-E670 IonicContact CZ-OE2 3.57Å; R531-E670 IonicContact NE-OE1 2.75Å; R531-E670 IonicContact NE-OE2 2.71Å; R531-E670 PolarHBondContact NE-OE2 3.24Å; R531-E670 IonicContact NH1-OE1 3.5Å; R531-E670 PolarHBondContact NH1-OE1 3.05Å; R531-E670 IonicContact NH1-OE2 2.68Å; R531-E670 PolarHBondContact NH1-OE2 2.91Å; R531-E670 IonicContact NH2-OE1 3.88Å; R531-E670 IonicContact NH2-OE2 3.74Å
532	E	75.5	Confident	62.7	Low	121 Å²	121	106 Å²	106	57%	0.565	52%	0.522	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	132.3	172.8	-70.1	175	-153.6	0	0	111.2	R526	R526-E532 HydrophobicContact CG-CG 4.28Å; R526-E532 IonicContact CZ-OE1 2.61Å; R526-E532 IonicContact NH1-OE1 2.74Å; R526-E532 PolarHBondContact NH1-OE1 3.18Å; R526-E532 IonicContact NH2-OE1 3.99Å; R526-E532 PolarHBondContact NH2-OE1 3.08Å
533	C	76.1	Confident	64.5	Low	1 Å²	1	102.5 Å²	102.5	1%	0.007	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	130.5	-171.1	-72	0	0	0	0	111.1	Y524 Y525 T527 C671	Y524-C533 CarbonylContact C-O 2.94Å; Y524-C533 VanDerWaalsContact CA-O 3.24Å; Y524-C533 WeakPolarHBondContact CA-O 2.99Å; Y525-C533 HydrophobicContact CD1-CB 3.96Å; Y525-C533 WeakPolarHBondContact CD1-O 3.17Å; Y525-C533 HydrophobicContact CE1-CB 3.48Å; Y525-C533 VanDerWaalsContact CE1-CB 3.48Å; Y525-C533 HydrophobicContact CE2-CB 4.11Å; Y525-C533 HydrophobicContact CG-CB 4.45Å; Y525-C533 PolarHBondContact N-O 2.84Å; Y525-C533 PolarHBondContact O-N 2.77Å; T527-C533 VanDerWaalsContact CG2-SG 3.51Å; C533-C671 VanDerWaalsContact CA-SG 3.6Å; C533-C671 HydrophobicContact CB-CB 3.65Å; C533-C671 WeakPolarHBondContact CB-SG 3.45Å; C533-C671 WeakPolarHBondContact SG-CA 3.39Å; C533-C671 WeakPolarHBondContact SG-CB 3.31Å; C533-C671 CovalentContact SG-SG 2.03Å; C533-C671 PolarHBondContact SG-SG 3.25Å
534	G	69.2	Low	65.8	Low	38 Å²	38	99.8 Å²	99.8	39%	0.392	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	152.9	174.1	0	0	0	0	0	112.8	C536	G534-C536 PolarHBondContact O-N 2.9Å
535	K	64.1	Low	66.9	Low	131 Å²	131	93.8 Å²	93.8	57%	0.57	46%	0.464	S	S	*	.			trans	-58.9	106.9	175.1	-78.2	168.8	178.6	167.4	0	111.7	S522 Q523 R537	S522-K535 WeakPolarHBondContact O-CE 3.18Å; S522-K535 PolarHBondContact O-NZ 3.07Å; Q523-K535 WeakPolarHBondContact O-CG 3.3Å; Q523-K535 PolarHBondContact O-N 3.27Å; K535-R537 PolarHBondContact O-N 2.04Å
536	C	65.9	Low	67.6	Low	47 Å²	47	94.4 Å²	94.4	32%	0.318	47%	0.473	S	S	.	.			trans	-53.2	120.8	-179.7	-170.1	0	0	0	0	112.1	G534 V538 C673	G534-C536 PolarHBondContact O-N 2.9Å; C536-V538 HydrophobicContact CB-CG2 4.15Å; C536-V538 PolarHBondContact O-N 3.1Å; C536-V538 WeakPolarHBondContact SG-CG2 3.01Å; C536-C673 VanDerWaalsContact CA-SG 3.51Å; C536-C673 HydrophobicContact CB-CB 3.66Å; C536-C673 WeakPolarHBondContact CB-SG 3.38Å; C536-C673 WeakPolarHBondContact SG-CB 3.46Å; C536-C673 CovalentContact SG-SG 2.03Å; C536-C673 PolarHBondContact SG-SG 3.43Å
537	R	62.4	Low	68.6	Low	245 Å²	245	89.8 Å²	89.8	93%	0.925	46%	0.458	S	S	*	.			trans	-77.8	52.4	-173.1	-73	-175.6	167.4	-175.2	-2.9	113.8	K535 S539	K535-R537 PolarHBondContact O-N 2.04Å; R537-S539 PolarHBondContact O-N 2.94Å
538	V	52	Low	69.5	Low	109 Å²	109	88.4 Å²	88.4	66%	0.661	45%	0.449	S	S	*	.			trans	-69.3	86.8	-179.9	-172.2	0	0	0	0	111.2	C536 T540	C536-V538 HydrophobicContact CB-CG2 4.15Å; C536-V538 PolarHBondContact O-N 3.1Å; C536-V538 WeakPolarHBondContact SG-CG2 3.01Å; V538-T540 HydrophobicContact CG1-CG2 4.22Å
539	S	50.8	Low	70.8	Confident	53 Å²	53	81.2 Å²	81.2	37%	0.371	42%	0.418	S	S	.	.			trans	-114.4	64.4	-178	-155.7	0	0	0	0	112.6	R537 K541 R542	R537-S539 PolarHBondContact O-N 2.94Å; S539-K541 VanDerWaalsContact C-N 3.26Å; S539-K541 PolarHBondContact O-N 3.06Å; S539-R542 PolarHBondContact O-N 3.26Å; S539-R542 WeakPolarHBondContact OG-CB 3.1Å; S539-R542 WeakPolarHBondContact OG-CD 3.32Å; S539-R542 VanDerWaalsContact OG-CG 3.32Å; S539-R542 WeakPolarHBondContact OG-CG 3.31Å
540	T	51.4	Low	71.9	Confident	67 Å²	67	85.2 Å²	85.2	41%	0.411	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-56.9	-35.3	179	53.2	0	0	0	0	113.1	V538 R542 I705	V538-T540 HydrophobicContact CG1-CG2 4.22Å; T540-R542 PolarHBondContact O-N 3.16Å; T540-I705 HydrophobicContact CG2-CG1 4.44Å; T540-I705 HydrophobicContact CG2-CG2 4.06Å
541	K	51.3	Low	73	Confident	195 Å²	195	85.3 Å²	85.3	85%	0.848	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-63.4	-23.4	173.9	-70	-171.5	176.8	-176.8	0	113.5	S539	S539-K541 VanDerWaalsContact C-N 3.26Å; S539-K541 PolarHBondContact O-N 3.06Å
542	R	61.4	Low	74.1	Confident	181 Å²	181	80.7 Å²	80.7	68%	0.683	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-100	25.3	-172.4	-71.4	-172	169.2	178.2	-6.2	115.3	S539 T540 N544 K547	S539-R542 PolarHBondContact O-N 3.26Å; S539-R542 WeakPolarHBondContact OG-CB 3.1Å; S539-R542 WeakPolarHBondContact OG-CD 3.32Å; S539-R542 VanDerWaalsContact OG-CG 3.32Å; S539-R542 WeakPolarHBondContact OG-CG 3.31Å; T540-R542 PolarHBondContact O-N 3.16Å; R542-N544 PolarHBondContact O-N 2.03Å; R542-K547 VanDerWaalsContact O-CD 3.31Å; R542-K547 WeakPolarHBondContact O-CD 3.27Å; R542-K547 WeakPolarHBondContact O-CE 3.22Å; R542-K547 PolarHBondContact O-NZ 3.21Å
543	L	81	Confident	74.8	Confident	3 Å²	3	75 Å²	75	2%	0.016	37%	0.365	C	S	.	.			trans	-87.9	97.7	171.7	-170.3	62.4	0	0	0	111.2	K547 L683 L685 I703 I705 W711 R714 M715 F718	L543-K547 HydrophobicContact CD1-CB 3.99Å; L543-K547 HydrophobicContact CD1-CD 4.43Å; L543-L683 HydrophobicContact CD2-CD2 3.74Å; L543-L685 HydrophobicContact CD1-CD2 4.36Å; L543-L685 HydrophobicContact CD2-CD1 4.16Å; L543-I703 HydrophobicContact CD1-CD1 3.86Å; L543-I705 HydrophobicContact CD2-CD1 4.21Å; L543-W711 HydrophobicContact CB-CH2 3.97Å; L543-W711 HydrophobicContact CB-CZ3 4.06Å; L543-W711 HydrophobicContact CD2-CE3 4.35Å; L543-W711 HydrophobicContact CD2-CH2 4.12Å; L543-W711 HydrophobicContact CD2-CZ3 3.71Å; L543-W711 HydrophobicContact CG-CZ3 4.35Å; L543-R714 PolarHBondContact O-NH2 3.12Å; L543-M715 HydrophobicContact CD2-CE 3.7Å; L543-M715 HydrophobicContact CG-CE 4.46Å; L543-F718 HydrophobicContact CG-CE2 4.37Å
544	N	87	Confident	75.6	Confident	78 Å²	78	74.9 Å²	74.9	42%	0.417	36%	0.364	S	S	.	.			trans	-106.7	175.4	178.4	66.9	-4	0	0	0	111.9	R542 N546 K547 F548	R542-N544 PolarHBondContact O-N 2.03Å; N544-N546 PolarHBondContact O-N 2.7Å; N544-K547 PolarHBondContact O-N 2.87Å; N544-K547 WeakPolarHBondContact OD1-CG 3.45Å; N544-K547 PolarHBondContact OD1-N 3.09Å; N544-K547 VanDerWaalsContact OD1-N 3.09Å; N544-F548 PolarHBondContact O-N 3.3Å
545	L	87.4	Confident	76.8	Confident	15 Å²	15	73.1 Å²	73.1	8%	0.079	35%	0.346	C	S	.	.	H	α-helix	trans	-59.3	-43.9	-179.9	-176.7	61.9	0	0	0	111.8	K547 F548 C549 F718 R721	L545-K547 VanDerWaalsContact C-N 3.25Å; L545-K547 PolarHBondContact O-N 3.3Å; L545-F548 HydrophobicContact CD1-CD1 4.37Å; L545-F548 CarbonylContact O-C 3.36Å; L545-F548 WeakPolarHBondContact O-CA 3.42Å; L545-F548 WeakPolarHBondContact O-CB 3.42Å; L545-F548 PolarHBondContact O-N 2.92Å; L545-C549 PolarHBondContact O-N 3.29Å; L545-C549 PolarHBondContact O-SG 2.89Å; L545-F718 HydrophobicContact CB-CD1 4.4Å; L545-F718 HydrophobicContact CB-CE1 4.4Å; L545-F718 HydrophobicContact CD1-CB 4.02Å; L545-F718 HydrophobicContact CD1-CD1 4.13Å; L545-F718 HydrophobicContact CD1-CG 4.13Å; L545-R721 HydrophobicContact CD1-CB 4.07Å; L545-R721 HydrophobicContact CD2-CB 3.85Å
546	N	87	Confident	78.2	Confident	107 Å²	107	68 Å²	68	57%	0.572	32%	0.324	S	S	*	.	H	α-helix	trans	-60.9	-33.3	-178.1	-53.7	37.8	0	0	0	112.2	N544 K550	N544-N546 PolarHBondContact O-N 2.7Å; N546-K550 WeakPolarHBondContact O-CG 3.42Å; N546-K550 PolarHBondContact O-N 3.45Å; N546-K550 VanDerWaalsContact O-N 3.14Å
547	K	87.7	Confident	79.6	Confident	65 Å²	65	65.8 Å²	65.8	28%	0.283	31%	0.309	S	S	.	.	H	α-helix	trans	-72	-32.2	171.3	-78	-174.5	-174.7	175.2	0	113.6	R542 L543 N544 L545 R551 I703	R542-K547 VanDerWaalsContact O-CD 3.31Å; R542-K547 WeakPolarHBondContact O-CD 3.27Å; R542-K547 WeakPolarHBondContact O-CE 3.22Å; R542-K547 PolarHBondContact O-NZ 3.21Å; L543-K547 HydrophobicContact CD1-CB 3.99Å; L543-K547 HydrophobicContact CD1-CD 4.43Å; N544-K547 PolarHBondContact O-N 2.87Å; N544-K547 WeakPolarHBondContact OD1-CG 3.45Å; N544-K547 PolarHBondContact OD1-N 3.09Å; N544-K547 VanDerWaalsContact OD1-N 3.09Å; L545-K547 VanDerWaalsContact C-N 3.25Å; L545-K547 PolarHBondContact O-N 3.3Å; K547-R551 WeakPolarHBondContact O-CD 3.49Å; K547-I703 HydrophobicContact CB-CD1 4.46Å; K547-I703 HydrophobicContact CD-CD1 4.07Å
548	F	89.4	Confident	81.2	Confident	1 Å²	1	57 Å²	57	0%	0.004	28%	0.277	C	S	.	.	H	α-helix	trans	-69.5	-36.9	172.4	179.8	-86	0	0	0	111.3	N544 L545 A554 F633 K634 L685 M715 F718 A722	N544-F548 PolarHBondContact O-N 3.3Å; L545-F548 HydrophobicContact CD1-CD1 4.37Å; L545-F548 CarbonylContact O-C 3.36Å; L545-F548 WeakPolarHBondContact O-CA 3.42Å; L545-F548 WeakPolarHBondContact O-CB 3.42Å; L545-F548 PolarHBondContact O-N 2.92Å; F548-A554 HydrophobicContact CD2-CB 4.04Å; F548-A554 HydrophobicContact CE2-CB 3.66Å; F548-A554 HydrophobicContact CZ-CB 4.45Å; F548-F633 HydrophobicContact CE2-CB 4.11Å; F548-F633 HydrophobicContact CZ-CB 4.31Å; F548-K634 HydrophobicContact CE1-CB 4.14Å; F548-K634 HydrophobicContact CE1-CD 4.42Å; F548-K634 HydrophobicContact CE1-CG 4.38Å; F548-K634 HydrophobicContact CE2-CB 4.31Å; F548-K634 HydrophobicContact CZ-CB 3.79Å; F548-L685 HydrophobicContact CD2-CD2 3.99Å; F548-M715 HydrophobicContact CD2-SD 3.99Å; F548-M715 HydrophobicContact CE2-SD 4.03Å; F548-F718 HydrophobicContact CB-CB 4.43Å; F548-F718 HydrophobicContact CB-CD2 3.84Å; F548-F718 HydrophobicContact CB-CG 4.44Å; F548-F718 HydrophobicContact CD1-CB 3.95Å; F548-F718 HydrophobicContact CD2-CB 3.95Å; F548-F718 HydrophobicContact CD2-CD2 4Å; F548-F718 HydrophobicContact CE1-CB 4.1Å; F548-F718 HydrophobicContact CE2-CB 4.09Å; F548-F718 HydrophobicContact CG-CB 3.87Å; F548-F718 HydrophobicContact CG-CD2 4.01Å; F548-F718 HydrophobicContact CG-CG 4.37Å; F548-F718 HydrophobicContact CZ-CB 4.16Å; F548-A722 HydrophobicContact CE1-CB 4.12Å
549	C	88.9	Confident	83.1	Confident	25 Å²	25	51.8 Å²	51.8	17%	0.169	25%	0.246	C	C	.	.	H	α-helix	trans	-61.6	-48.9	172.9	-59.5	0	0	0	0	111.9	L545 R551 K634 C725	L545-C549 PolarHBondContact O-N 3.29Å; L545-C549 PolarHBondContact O-SG 2.89Å; C549-R551 PolarHBondContact O-N 3.1Å; C549-R551 VanDerWaalsContact O-N 3.08Å; C549-K634 PolarHBondContact O-NZ 3.36Å; C549-C725 WeakPolarHBondContact CA-SG 3.25Å; C549-C725 HydrophobicContact CB-CB 3.57Å; C549-C725 WeakPolarHBondContact CB-SG 3.41Å; C549-C725 VanDerWaalsContact SG-CA 3.57Å; C549-C725 WeakPolarHBondContact SG-CB 3.37Å; C549-C725 CovalentContact SG-SG 2.04Å; C549-C725 PolarHBondContact SG-SG 3.06Å
550	K	87.9	Confident	85.1	Confident	149 Å²	149	53 Å²	53	65%	0.648	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	15.6	-172.8	-70.2	-171.2	176.1	-161.7	0	116.5	N546	N546-K550 WeakPolarHBondContact O-CG 3.42Å; N546-K550 PolarHBondContact O-N 3.45Å; N546-K550 VanDerWaalsContact O-N 3.14Å
551	R	89.6	Confident	86.8	Confident	35 Å²	35	50.5 Å²	50.5	13%	0.132	24%	0.235	C	C	.	.	S	Bend	trans	-123.9	149.3	177.1	-91.1	49.4	164.9	171.8	4.2	108.8	K547 C549 K634 L685 G686 H701	K547-R551 WeakPolarHBondContact O-CD 3.49Å; C549-R551 PolarHBondContact O-N 3.1Å; C549-R551 VanDerWaalsContact O-N 3.08Å; R551-K634 WeakPolarHBondContact O-CD 3.35Å; R551-K634 PolarHBondContact O-NZ 3.18Å; R551-L685 HydrophobicContact CB-CB 4.14Å; R551-L685 HydrophobicContact CG-CB 3.77Å; R551-G686 WeakPolarHBondContact CB-O 3.47Å; R551-G686 WeakPolarHBondContact CG-O 3.05Å; R551-H701 PolarHBondContact NE-O 2.81Å; R551-H701 PolarHBondContact NH2-O 2.04Å
552	D	89.6	Confident	88.4	Confident	28 Å²	28	47.2 Å²	47.2	15%	0.15	22%	0.217	C	C	.	.	S	Bend	trans	-81.1	-38	-175.1	-52.8	-32.1	0	0	0	110.4	R635 S636 G686 R687 D688	D552-R635 CarbonylContact O-C 3.53Å; D552-R635 VanDerWaalsContact O-CA 3.24Å; D552-R635 WeakPolarHBondContact O-CA 3.38Å; D552-S636 WeakPolarHBondContact CA-OG 3.25Å; D552-S636 PolarHBondContact O-N 3.09Å; D552-S636 PolarHBondContact O-OG 3.44Å; D552-G686 PolarHBondContact N-O 2.89Å; D552-R687 WeakPolarHBondContact OD2-CA 3.42Å; D552-R687 WeakPolarHBondContact OD2-CB 3.38Å; D552-R687 VanDerWaalsContact OD2-CG 3.31Å; D552-R687 WeakPolarHBondContact OD2-CG 3.47Å; D552-D688 PolarHBondContact OD2-N 3.38Å
553	Y	91.1	Very high	88.7	Confident	1 Å²	1	39.5 Å²	39.5	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	157.8	174.3	58.5	-96.1	0	0	0	113.7	K634 L655 I684 L685 G686 R687 D688 L696	Y553-K634 VanDerWaalsContact CA-O 3.31Å; Y553-K634 WeakPolarHBondContact CA-O 3.45Å; Y553-L655 HydrophobicContact CD1-CD1 4.03Å; Y553-L655 HydrophobicContact CD2-CD1 4.42Å; Y553-L655 HydrophobicContact CG-CD1 3.71Å; Y553-I684 HydrophobicContact CE2-CG2 4.22Å; Y553-L685 VanDerWaalsContact O-CA 3.27Å; Y553-L685 WeakPolarHBondContact O-CA 3.27Å; Y553-L685 WeakPolarHBondContact O-CB 3.33Å; Y553-G686 VanDerWaalsContact CE2-N 3.34Å; Y553-G686 PolarHBondContact O-N 3.26Å; Y553-R687 WeakPolarHBondContact CE1-O 3.02Å; Y553-D688 WeakPolarHBondContact CD1-OD1 3.08Å; Y553-L696 HydrophobicContact CE1-CD2 4.06Å; Y553-L696 HydrophobicContact CE2-CD2 4.31Å
554	A	92.7	Very high	87.6	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	118.5	169	0	0	0	0	0	109.1	F548 F633 K634 I684 L685	F548-A554 HydrophobicContact CD2-CB 4.04Å; F548-A554 HydrophobicContact CE2-CB 3.66Å; F548-A554 HydrophobicContact CZ-CB 4.45Å; A554-F633 HydrophobicContact CB-CB 4.27Å; A554-F633 WeakPolarHBondContact O-CA 3.35Å; A554-F633 PolarHBondContact O-N 3.37Å; A554-K634 HydrophobicContact CB-CB 3.87Å; A554-K634 PolarHBondContact N-O 2.79Å; A554-K634 PolarHBondContact O-N 2.95Å; A554-I684 CarbonylContact C-O 3.58Å; A554-I684 WeakPolarHBondContact CA-O 3.28Å; A554-L685 HydrophobicContact CB-CB 4.42Å; A554-L685 HydrophobicContact CB-CD2 3.77Å; A554-L685 HydrophobicContact CB-CG 3.73Å
555	I	93.9	Very high	85.8	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	155.4	-172.2	65.9	175.6	0	0	0	112.5	A557 I629 A631 V632 L655 L683 I684 L696	I555-A557 HydrophobicContact CD1-CB 4.23Å; I555-I629 HydrophobicContact CB-CG2 4.5Å; I555-I629 HydrophobicContact CD1-CD1 4.08Å; I555-I629 HydrophobicContact CD1-CG1 4.25Å; I555-A631 CarbonylContact C-O 3.51Å; I555-A631 WeakPolarHBondContact CA-O 3.44Å; I555-V632 HydrophobicContact CG2-CB 4.4Å; I555-V632 HydrophobicContact CG2-CG1 4.23Å; I555-V632 HydrophobicContact CG2-CG2 4.05Å; I555-L655 HydrophobicContact CD1-CD2 4.45Å; I555-L655 HydrophobicContact CG2-CD2 4.16Å; I555-L683 WeakPolarHBondContact O-CA 3.48Å; I555-L683 WeakPolarHBondContact O-CD1 3.04Å; I555-I684 HydrophobicContact CD1-CB 4.44Å; I555-I684 HydrophobicContact CG1-CB 3.91Å; I555-I684 PolarHBondContact N-O 3.35Å; I555-I684 PolarHBondContact O-N 2.99Å; I555-L696 HydrophobicContact CD1-CD1 3.57Å
556	M	94.8	Very high	83.7	Confident	25 Å²	25	39.7 Å²	39.7	12%	0.123	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	120.7	161	175.8	-173	-178.5	0	0	107.7	Q630 A631 F633 Y682 W707	M556-Q630 HydrophobicContact CG-CB 4.19Å; M556-Q630 PolarHBondContact O-N 3.5Å; M556-Q630 HydrophobicContact SD-CB 4.26Å; M556-A631 HydrophobicContact CB-CB 4.21Å; M556-A631 PolarHBondContact N-O 2.92Å; M556-A631 PolarHBondContact O-N 3.11Å; M556-A631 VanDerWaalsContact O-N 3.13Å; M556-F633 HydrophobicContact CB-CE2 3.88Å; M556-F633 HydrophobicContact CB-CZ 4.35Å; M556-Y682 WeakPolarHBondContact CA-O 3.32Å; M556-W707 HydrophobicContact CB-CE3 4.25Å; M556-W707 HydrophobicContact CB-CH2 4.3Å; M556-W707 HydrophobicContact CB-CZ3 3.97Å; M556-W707 HydrophobicContact CE-CD2 3.84Å; M556-W707 HydrophobicContact CE-CG 3.95Å; M556-W707 HydrophobicContact CE-CZ2 4.06Å; M556-W707 HydrophobicContact CG-CD2 4.03Å; M556-W707 HydrophobicContact CG-CE3 3.86Å; M556-W707 HydrophobicContact CG-CH2 4.27Å; M556-W707 HydrophobicContact CG-CZ2 4.4Å; M556-W707 HydrophobicContact CG-CZ3 4Å; M556-W707 HydrophobicContact SD-CD2 4Å; M556-W707 HydrophobicContact SD-CE3 4.25Å; M556-W707 HydrophobicContact SD-CH2 3.88Å; M556-W707 HydrophobicContact SD-CZ2 3.57Å; M556-W707 VanDerWaalsContact SD-CZ2 3.57Å; M556-W707 HydrophobicContact SD-CZ3 4.21Å
557	A	94.2	Very high	81.6	Confident	0 Å²	0	39 Å²	39	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	146.2	179.6	0	0	0	0	0	111.5	I555 L627 Q628 I629 S681 Y682 I684	I555-A557 HydrophobicContact CD1-CB 4.23Å; A557-L627 HydrophobicContact CB-CB 4.24Å; A557-L627 HydrophobicContact CB-CD1 3.97Å; A557-L627 HydrophobicContact CB-CD2 4.27Å; A557-L627 HydrophobicContact CB-CG 4.42Å; A557-Q628 CarbonylContact C-O 3.58Å; A557-Q628 WeakPolarHBondContact CA-O 3.3Å; A557-I629 HydrophobicContact CB-CG1 4.32Å; A557-S681 CarbonylContact O-C 3.52Å; A557-S681 WeakPolarHBondContact O-CA 3.36Å; A557-Y682 PolarHBondContact N-O 2.02Å; A557-Y682 PolarHBondContact O-N 2.87Å; A557-I684 HydrophobicContact CB-CD1 4.21Å
558	K	95.5	Very high	79.4	Confident	59 Å²	59	37.7 Å²	37.7	26%	0.257	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	129.4	174.3	-173.1	-176	173.2	-169.5	0	109.9	I560 L627 Q628 Q630 N679	K558-I560 HydrophobicContact CB-CD1 4.4Å; K558-I560 HydrophobicContact CD-CD1 4.05Å; K558-I560 HydrophobicContact CG-CD1 4.17Å; K558-I560 PolarHBondContact O-N 3.26Å; K558-L627 WeakPolarHBondContact O-CA 3.26Å; K558-Q628 PolarHBondContact N-O 3.35Å; K558-Q628 PolarHBondContact O-N 2.91Å; K558-Q630 HydrophobicContact CB-CG 4.44Å; K558-N679 VanDerWaalsContact CE-O 3.31Å; K558-N679 WeakPolarHBondContact CE-O 2.98Å; K558-N679 WeakPolarHBondContact CE-OD1 3.13Å; K558-N679 PolarHBondContact NZ-OD1 2.87Å
559	V	93.3	Very high	77.1	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	118.7	172.3	-177.6	0	0	0	0	108.5	F625 L627 W662 I676 V678 N679 R680 Y682	V559-F625 HydrophobicContact CG1-CD1 4.01Å; V559-L627 HydrophobicContact CB-CD2 4.32Å; V559-L627 HydrophobicContact CG2-CD2 3.68Å; V559-W662 HydrophobicContact CG2-CZ3 4.12Å; V559-I676 HydrophobicContact CG1-CG2 4.17Å; V559-I676 HydrophobicContact CG2-CG2 4.09Å; V559-V678 HydrophobicContact CG1-CG2 4.42Å; V559-N679 VanDerWaalsContact O-CA 3.29Å; V559-N679 WeakPolarHBondContact O-CA 3.33Å; V559-N679 PolarHBondContact O-N 3.25Å; V559-R680 PolarHBondContact N-O 2.75Å; V559-Y682 HydrophobicContact CG2-CD2 3.85Å; V559-Y682 HydrophobicContact CG2-CE2 3.91Å
560	I	91.7	Very high	75	Confident	79 Å²	79	44.2 Å²	44.2	41%	0.405	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	-39.8	-177.3	-58.2	-55.3	0	0	0	111.2	K558 D626 Q628 V678	K558-I560 HydrophobicContact CB-CD1 4.4Å; K558-I560 HydrophobicContact CD-CD1 4.05Å; K558-I560 HydrophobicContact CG-CD1 4.17Å; K558-I560 PolarHBondContact O-N 3.26Å; I560-D626 HydrophobicContact CB-CB 4Å; I560-D626 PolarHBondContact N-O 2.94Å; I560-Q628 HydrophobicContact CD1-CB 3.79Å; I560-Q628 HydrophobicContact CG1-CB 3.8Å; I560-V678 VanDerWaalsContact O-CG1 3.24Å; I560-V678 WeakPolarHBondContact O-CG1 3.31Å
561	G	87.7	Confident	73.2	Confident	15 Å²	15	44 Å²	44	16%	0.155	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.9	-178.3	-179.5	0	0	0	0	0	112.4	F625 D626	G561-F625 WeakPolarHBondContact O-CA 3.42Å; G561-F625 WeakPolarHBondContact O-CD1 3.24Å; G561-D626 PolarHBondContact O-N 2.04Å
562	R	85	Confident	71.3	Confident	125 Å²	125	47 Å²	47	47%	0.472	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	125.7	162.7	-162	-174.1	-156.1	160.4	8.5	106.2	T564 E623 R624 F625	R562-T564 PolarHBondContact O-N 2.88Å; R562-E623 VanDerWaalsContact CZ-CD 3.48Å; R562-E623 IonicContact CZ-OE1 2.71Å; R562-E623 IonicContact CZ-OE2 3.8Å; R562-E623 VanDerWaalsContact NE-CD 3.26Å; R562-E623 IonicContact NE-OE1 2.7Å; R562-E623 PolarHBondContact NE-OE1 2.68Å; R562-E623 IonicContact NE-OE2 3.73Å; R562-E623 PolarHBondContact NE-OE2 2.98Å; R562-E623 IonicContact NH2-OE1 3.26Å; R562-E623 PolarHBondContact NH2-OE1 3.08Å; R562-E623 IonicContact NH2-OE2 3.34Å; R562-E623 PolarHBondContact NH2-OE2 3.37Å; R562-R624 CarbonylContact C-O 3.5Å; R562-R624 WeakPolarHBondContact CA-O 3.45Å; R562-R624 VanDerWaalsContact CG-O 3.29Å; R562-R624 WeakPolarHBondContact CG-O 3.25Å; R562-F625 HydrophobicContact CB-CD1 4.39Å; R562-F625 HydrophobicContact CB-CE1 4.25Å; R562-F625 HydrophobicContact CG-CD1 4.48Å; R562-F625 HydrophobicContact CG-CE1 4.15Å; R562-F625 HydrophobicContact CG-CZ 4.23Å
563	D	68	Low	69.4	Low	20 Å²	20	50.2 Å²	50.2	11%	0.107	27%	0.265	C	S	.	.			trans	-75.5	108.2	-179.5	165.2	32.8	0	0	0	109	S565 R624	D563-S565 VanDerWaalsContact C-N 3.33Å; D563-S565 WeakPolarHBondContact OD1-CA 3.07Å; D563-S565 WeakPolarHBondContact OD1-CB 3.1Å; D563-S565 PolarHBondContact OD1-N 2.93Å; D563-S565 PolarHBondContact OD1-OG 3.43Å; D563-S565 PolarHBondContact OD2-OG 3.01Å; D563-R624 HydrophobicContact CB-CB 3.71Å; D563-R624 PolarHBondContact N-O 2.9Å; D563-R624 VanDerWaalsContact OD2-CD 3.28Å; D563-R624 WeakPolarHBondContact OD2-CD 3.32Å; D563-R624 IonicContact OD2-NH1 3.17Å
564	T	56.6	Low	67.5	Low	21 Å²	21	55.9 Å²	55.9	13%	0.129	29%	0.292	C	S	.	.			trans	-84.5	-3.7	178.6	42	0	0	0	0	112.6	R386 R562 S566 E567 A568	R386-T564 PolarHBondContact NH1-O 2.84Å; R386-T564 PolarHBondContact NH1-OG1 2.91Å; R386-T564 PolarHBondContact NH2-OG1 3.04Å; R562-T564 PolarHBondContact O-N 2.88Å; T564-S566 VanDerWaalsContact C-N 3.3Å; T564-S566 PolarHBondContact O-N 3.48Å; T564-E567 PolarHBondContact O-N 2.85Å; T564-E567 VanDerWaalsContact O-N 3.1Å; T564-A568 PolarHBondContact O-N 3.22Å
565	S	51	Low	65.4	Low	41 Å²	41	65.3 Å²	65.3	29%	0.287	33%	0.328	S	S	.	.	H	α-helix	trans	-56.8	-37.7	-171.4	67.3	0	0	0	0	113.9	D563 E567 A568 V569	D563-S565 VanDerWaalsContact C-N 3.33Å; D563-S565 WeakPolarHBondContact OD1-CA 3.07Å; D563-S565 WeakPolarHBondContact OD1-CB 3.1Å; D563-S565 PolarHBondContact OD1-N 2.93Å; D563-S565 PolarHBondContact OD1-OG 3.43Å; D563-S565 PolarHBondContact OD2-OG 3.01Å; S565-E567 VanDerWaalsContact C-N 3.34Å; S565-E567 PolarHBondContact O-N 3.4Å; S565-A568 PolarHBondContact O-N 2.99Å; S565-A568 VanDerWaalsContact O-N 3.16Å; S565-V569 PolarHBondContact O-N 3.24Å; S565-V569 VanDerWaalsContact O-N 3.11Å
566	S	42.4	Very low	63.4	Low	37 Å²	37	74.8 Å²	74.8	26%	0.259	36%	0.363	S	S	.	.	H	α-helix	trans	-64	-34	177.2	41.2	0	0	0	0	113.8	T564 A568 S570	T564-S566 VanDerWaalsContact C-N 3.3Å; T564-S566 PolarHBondContact O-N 3.48Å; S566-A568 VanDerWaalsContact C-N 3.31Å; S566-A568 PolarHBondContact O-N 3.44Å; S566-S570 WeakPolarHBondContact O-CB 3.33Å; S566-S570 PolarHBondContact O-N 3.44Å; S566-S570 PolarHBondContact O-OG 3.09Å; S566-S570 VanDerWaalsContact O-OG 3.11Å
567	E	43.5	Very low	61.4	Low	93 Å²	93	77.4 Å²	77.4	44%	0.435	39%	0.389	S	S	.	.	H	α-helix	trans	-68.9	-30.6	174.7	-71.6	-165.8	95.2	0	0	112.7	T564 S565 R571	T564-E567 PolarHBondContact O-N 2.85Å; T564-E567 VanDerWaalsContact O-N 3.1Å; S565-E567 VanDerWaalsContact C-N 3.34Å; S565-E567 PolarHBondContact O-N 3.4Å; E567-R571 VanDerWaalsContact O-CB 3.3Å; E567-R571 WeakPolarHBondContact O-CB 3.31Å; E567-R571 VanDerWaalsContact O-CG 3.24Å; E567-R571 WeakPolarHBondContact O-CG 3.32Å; E567-R571 PolarHBondContact O-N 2.97Å; E567-R571 IonicContact OE1-CZ 2.74Å; E567-R571 IonicContact OE1-NH1 3.47Å; E567-R571 PolarHBondContact OE1-NH1 2.91Å; E567-R571 VanDerWaalsContact OE1-NH1 3.11Å; E567-R571 IonicContact OE1-NH2 2.69Å; E567-R571 PolarHBondContact OE1-NH2 3.01Å
568	A	40.6	Very low	59.4	Low	38 Å²	38	85 Å²	85	31%	0.314	43%	0.427	S	S	.	.	H	α-helix	trans	-70	-54.5	175.3	0	0	0	0	0	110.1	T564 S565 S566 S570 R571 E572	T564-A568 PolarHBondContact O-N 3.22Å; S565-A568 PolarHBondContact O-N 2.99Å; S565-A568 VanDerWaalsContact O-N 3.16Å; S566-A568 VanDerWaalsContact C-N 3.31Å; S566-A568 PolarHBondContact O-N 3.44Å; A568-S570 PolarHBondContact O-N 3.25Å; A568-R571 PolarHBondContact O-N 3.08Å; A568-R571 VanDerWaalsContact O-N 3.17Å; A568-E572 VanDerWaalsContact O-CB 3.25Å; A568-E572 WeakPolarHBondContact O-CB 3.28Å; A568-E572 PolarHBondContact O-N 3.06Å
569	V	42.3	Very low	56.9	Low	91 Å²	91	87.6 Å²	87.6	55%	0.552	44%	0.443	S	S	*	.	H	α-helix	trans	-60.2	-43.3	-177.8	179.1	0	0	0	0	111.7	S565 E572 V573	S565-V569 PolarHBondContact O-N 3.24Å; S565-V569 VanDerWaalsContact O-N 3.11Å; V569-E572 PolarHBondContact O-N 2.81Å; V569-V573 HydrophobicContact CG1-CG2 4.49Å; V569-V573 WeakPolarHBondContact O-CG2 3.33Å; V569-V573 PolarHBondContact O-N 2.91Å
570	S	43.6	Very low	54.4	Low	71 Å²	71	93.2 Å²	93.2	50%	0.497	48%	0.48	S	S	.	.	H	α-helix	trans	-63.9	-41.5	176.8	-63.8	0	0	0	0	112.8	S566 A568 E572 Q574	S566-S570 WeakPolarHBondContact O-CB 3.33Å; S566-S570 PolarHBondContact O-N 3.44Å; S566-S570 PolarHBondContact O-OG 3.09Å; S566-S570 VanDerWaalsContact O-OG 3.11Å; A568-S570 PolarHBondContact O-N 3.25Å; S570-E572 VanDerWaalsContact C-N 3.34Å; S570-Q574 WeakPolarHBondContact O-CB 3.3Å; S570-Q574 WeakPolarHBondContact O-CG 3.46Å; S570-Q574 PolarHBondContact O-N 2.92Å
571	R	50.6	Low	52.2	Low	144 Å²	144	96.4 Å²	96.4	54%	0.543	50%	0.498	S	S	.	.	H	α-helix	trans	-72	-26.9	176.7	-72.6	178.4	179	132	12.3	112.8	E567 A568 R575	E567-R571 VanDerWaalsContact O-CB 3.3Å; E567-R571 WeakPolarHBondContact O-CB 3.31Å; E567-R571 VanDerWaalsContact O-CG 3.24Å; E567-R571 WeakPolarHBondContact O-CG 3.32Å; E567-R571 PolarHBondContact O-N 2.97Å; E567-R571 IonicContact OE1-CZ 2.74Å; E567-R571 IonicContact OE1-NH1 3.47Å; E567-R571 PolarHBondContact OE1-NH1 2.91Å; E567-R571 VanDerWaalsContact OE1-NH1 3.11Å; E567-R571 IonicContact OE1-NH2 2.69Å; E567-R571 PolarHBondContact OE1-NH2 3.01Å; A568-R571 PolarHBondContact O-N 3.08Å; A568-R571 VanDerWaalsContact O-N 3.17Å; R571-R575 WeakPolarHBondContact O-CB 3.07Å; R571-R575 VanDerWaalsContact O-CG 3.3Å; R571-R575 WeakPolarHBondContact O-CG 3.42Å; R571-R575 PolarHBondContact O-N 2.87Å
572	E	49.1	Very low	50	Low	100 Å²	100	102.1 Å²	102.1	47%	0.467	53%	0.529	S	S	.	.	H	α-helix	trans	-79.7	-35.1	178.2	-165.9	161.8	-167.4	0	0	111.8	A568 V569 S570 R576	A568-E572 VanDerWaalsContact O-CB 3.25Å; A568-E572 WeakPolarHBondContact O-CB 3.28Å; A568-E572 PolarHBondContact O-N 3.06Å; V569-E572 PolarHBondContact O-N 2.81Å; S570-E572 VanDerWaalsContact C-N 3.34Å; E572-R576 WeakPolarHBondContact O-CG 3.49Å; E572-R576 PolarHBondContact O-N 2.03Å; E572-R576 IonicContact OE1-NH2 2.9Å
573	V	50.5	Low	48	Very low	94 Å²	94	100 Å²	100	57%	0.57	54%	0.539	S	S	*	.	H	α-helix	trans	-65.3	-43.7	165.4	172.1	0	0	0	0	110.9	V569 R575 R576 A577	V569-V573 HydrophobicContact CG1-CG2 4.49Å; V569-V573 WeakPolarHBondContact O-CG2 3.33Å; V569-V573 PolarHBondContact O-N 2.91Å; V573-R575 PolarHBondContact O-N 3.17Å; V573-R576 PolarHBondContact O-N 3Å; V573-A577 WeakPolarHBondContact O-CB 3.09Å; V573-A577 PolarHBondContact O-N 3.25Å
574	Q	51.7	Low	46.6	Very low	121 Å²	121	106.1 Å²	106.1	57%	0.565	57%	0.571	S	S	*	*	H	α-helix	trans	-64.8	-36.2	175.7	-76.8	-177.9	-61.9	0	0	113	S570 A577 M578	S570-Q574 WeakPolarHBondContact O-CB 3.3Å; S570-Q574 WeakPolarHBondContact O-CG 3.46Å; S570-Q574 PolarHBondContact O-N 2.92Å; Q574-A577 CarbonylContact O-C 3.1Å; Q574-A577 PolarHBondContact O-N 2.9Å; Q574-M578 WeakPolarHBondContact O-CB 3.34Å; Q574-M578 WeakPolarHBondContact O-CG 3.32Å; Q574-M578 PolarHBondContact O-N 3.42Å
575	R	48.4	Very low	45.8	Very low	198 Å²	198	116.6 Å²	116.6	75%	0.747	61%	0.61	S	S	*	*	H	α-helix	trans	-63.1	-46.2	172.5	-81.5	174.2	172.2	-169.8	-5.5	112	R571 V573 A577 M578 D579	R571-R575 WeakPolarHBondContact O-CB 3.07Å; R571-R575 VanDerWaalsContact O-CG 3.3Å; R571-R575 WeakPolarHBondContact O-CG 3.42Å; R571-R575 PolarHBondContact O-N 2.87Å; V573-R575 PolarHBondContact O-N 3.17Å; R575-A577 PolarHBondContact O-N 2.84Å; R575-A577 VanDerWaalsContact O-N 3.17Å; R575-M578 PolarHBondContact O-N 3.44Å; R575-M578 VanDerWaalsContact O-N 3.08Å; R575-D579 PolarHBondContact O-N 3.07Å
576	R	51.8	Low	45.4	Very low	198 Å²	198	123 Å²	123	75%	0.747	64%	0.636	S	S	*	*	H	α-helix	trans	-67.9	-8.1	174.1	-69.3	-178.8	-173.2	157.8	9.9	114.3	E572 V573	E572-R576 WeakPolarHBondContact O-CG 3.49Å; E572-R576 PolarHBondContact O-N 2.03Å; E572-R576 IonicContact OE1-NH2 2.9Å; V573-R576 PolarHBondContact O-N 3Å
577	A	51.5	Low	45.3	Very low	81 Å²	81	129.9 Å²	129.9	67%	0.669	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.3	9.2	173.4	0	0	0	0	0	113.1	V573 Q574 R575	V573-A577 WeakPolarHBondContact O-CB 3.09Å; V573-A577 PolarHBondContact O-N 3.25Å; Q574-A577 CarbonylContact O-C 3.1Å; Q574-A577 PolarHBondContact O-N 2.9Å; R575-A577 PolarHBondContact O-N 2.84Å; R575-A577 VanDerWaalsContact O-N 3.17Å
578	M	51.9	Low	44.9	Very low	160 Å²	160	131.3 Å²	131.3	79%	0.788	68%	0.677	S	S	*	*	S	Bend	trans	-133	13.7	-179.2	-74.8	-174.5	149.5	0	0	113.2	Q574 R575	Q574-M578 WeakPolarHBondContact O-CB 3.34Å; Q574-M578 WeakPolarHBondContact O-CG 3.32Å; Q574-M578 PolarHBondContact O-N 3.42Å; R575-M578 PolarHBondContact O-N 3.44Å; R575-M578 VanDerWaalsContact O-N 3.08Å
579	D	42.8	Very low	44.9	Very low	112 Å²	112	138.8 Å²	138.8	60%	0.599	71%	0.705	S	S	*	*			trans	-131	90.9	-176.8	-164.2	-7.4	0	0	0	109.4	R575	R575-D579 PolarHBondContact O-N 3.07Å
580	P	41.8	Very low	44.6	Very low	118 Å²	118	139.5 Å²	139.5	77%	0.766	71%	0.709	S	S	*	*			trans	-98.5	23.3	-167	39.3	-36.3	0	0	0	114.8
581	D	45.5	Very low	44.4	Very low	147 Å²	147	145.5 Å²	145.5	79%	0.786	73%	0.729	S	S	*	*			trans	-131.7	28	-170.4	-90.9	-51.8	0	0	0	114.9
582	V	42.3	Very low	43.7	Very low	134 Å²	134	144.4 Å²	144.4	81%	0.812	74%	0.741	S	S	*	*			trans	-131.6	76.3	172.6	-166.5	0	0	0	0	112.3
583	A	41.2	Very low	43.1	Very low	82 Å²	82	143.1 Å²	143.1	68%	0.678	75%	0.754	S	S	*	*			trans	-116.7	180	158.4	0	0	0	0	0	109.6
584	D	39.9	Very low	42.4	Very low	147 Å²	147	144.7 Å²	144.7	79%	0.786	77%	0.77	S	S	*	*			trans	59.8	75.6	166.7	-57.3	-4.3	0	0	0	117.8
585	Y	39.4	Very low	41.6	Very low	242 Å²	242	142.7 Å²	142.7	95%	0.949	77%	0.774	S	S	*	*			trans	-137.5	70.8	143.6	-85	-75.4	0	0	0	110.1
586	E	42	Very low	41.1	Very low	176 Å²	176	144.8 Å²	144.8	82%	0.822	78%	0.782	S	S	*	*			trans	-87.5	148.4	166.3	-175	160.5	-145.8	0	0	110
587	M	40	Very low	40.4	Very low	180 Å²	180	140.2 Å²	140.2	89%	0.887	78%	0.78	S	S	*	*			trans	-145.3	103.7	172.6	-166.8	175	72.2	0	0	110.8
588	D	36.7	Very low	39.6	Very low	124 Å²	124	141.7 Å²	141.7	66%	0.663	78%	0.783	S	S	*	*			trans	-57.9	144.1	177.3	-94.3	-60.2	0	0	0	114.4
589	Q	39.8	Very low	38.8	Very low	195 Å²	195	142.3 Å²	142.3	91%	0.911	79%	0.788	S	S	*	*			trans	-142.6	82.5	139.9	-74.8	-152.5	-4.1	0	0	112.2
590	V	35.9	Very low	38.3	Very low	106 Å²	106	143.2 Å²	143.2	64%	0.642	80%	0.798	S	S	*	*			trans	-7.4	127.9	151.3	-179.4	0	0	0	0	117.8
591	Q	40	Very low	37.9	Very low	196 Å²	196	140 Å²	140	92%	0.916	79%	0.786	S	S	*	*				-166.3	117.6	129.1	-111.7	175.4	55	0	0	112.9
592	P	36.5	Very low	37.1	Very low	121 Å²	121	139 Å²	139	79%	0.786	79%	0.785	S	S	*	*			trans	-108.4	156	178.1	38.5	-32.1	0	0	0	114
593	G	34.7	Very low	36.5	Very low	73 Å²	73	143 Å²	143	75%	0.753	79%	0.787	S	S	*	*			trans	174.2	108.4	166.6	0	0	0	0	0	118.1
594	S	36.2	Very low	35.8	Very low	128 Å²	128	147.2 Å²	147.2	90%	0.895	79%	0.793	S	S	*	*			trans	68.8	146.4	152.9	-163.2	0	0	0	0	119.6
595	A	35.3	Very low	35.3	Very low	78 Å²	78	149.9 Å²	149.9	65%	0.645	80%	0.797	S	S	*	*			cis	-171.6	160.7	-32.1	0	0	0	0	0	109.4
596	R	38.5	Very low	34.8	Very low	242 Å²	242	146.3 Å²	146.3	91%	0.913	79%	0.789	S	S	*	*			trans	67.2	143.8	167.7	-65.9	176.5	176.2	174	-2	116.4
597	S	36.5	Very low	34	Very low	102 Å²	102	142.9 Å²	142.9	71%	0.713	79%	0.791	S	S	*	*			cis	-150.6	154.9	-10.5	-92.6	0	0	0	0	109.9
598	P	33.9	Very low	33.6	Very low	113 Å²	113	138.1 Å²	138.1	73%	0.734	78%	0.78	S	S	*	*			trans	-87.8	152.5	-177.1	35.2	-35.3	0	0	0	113.7
599	I	36.8	Very low	33.2	Very low	173 Å²	173	139.8 Å²	139.8	89%	0.887	79%	0.789	S	S	*	*			trans	-130.2	115.9	155.9	-63.5	-179.1	0	0	0	107.5	G601	I599-G601 PolarHBondContact O-N 2.92Å
600	T	32.4	Very low	32.7	Very low	131 Å²	131	140.4 Å²	140.4	80%	0.804	79%	0.785	S	S	*	*			trans	-86.1	106	178	46.4	0	0	0	0	110.8
601	G	32	Very low	32.5	Very low	51 Å²	51	140.9 Å²	140.9	53%	0.526	79%	0.79	S	S	.	*			trans	-108.5	93.1	166.8	0	0	0	0	0	110	I599 Y603	I599-G601 PolarHBondContact O-N 2.92Å; G601-Y603 PolarHBondContact O-N 3.26Å
602	V	29.8	Very low	31.9	Very low	126 Å²	126	138.5 Å²	138.5	76%	0.764	78%	0.784	S	S	*	*			trans	-78.6	112.6	178.3	-179.6	0	0	0	0	109
603	Y	30.1	Very low	31.8	Very low	216 Å²	216	138.5 Å²	138.5	85%	0.847	78%	0.784	S	S	*	*			trans	-116.7	82.2	169.8	-62.9	-69.7	0	0	0	108.8	G601 F605	G601-Y603 PolarHBondContact O-N 3.26Å; Y603-F605 PolarHBondContact O-N 2.68Å
604	E	25.4	Very low	31.6	Very low	172 Å²	172	141.8 Å²	141.8	80%	0.804	78%	0.784	S	S	*	*			trans	-63.4	125.7	169.9	-176.4	171.8	-152.8	0	0	109.2
605	F	28.7	Very low	31.4	Very low	202 Å²	202	141 Å²	141	89%	0.886	78%	0.776	S	S	*	*			trans	-131.6	127	168.7	-134.7	-87.4	0	0	0	109.8	Y603 A607	Y603-F605 PolarHBondContact O-N 2.68Å; F605-A607 PolarHBondContact O-N 2.87Å
606	Q	29.8	Very low	31	Very low	167 Å²	167	143.9 Å²	143.9	78%	0.78	78%	0.781	S	S	*	*			trans	-67.8	131.2	-159.8	-66.9	149.6	-34.1	0	0	111.9	A608	Q606-A608 PolarHBondContact O-N 3.02Å; Q606-A608 VanDerWaalsContact O-N 3.07Å
607	A	26	Very low	30.5	Very low	104 Å²	104	138.4 Å²	138.4	86%	0.86	78%	0.776	S	S	*	*			trans	-70	99.1	162.1	0	0	0	0	0	108.2	F605 D609	F605-A607 PolarHBondContact O-N 2.87Å; A607-D609 PolarHBondContact O-N 2.81Å
608	A	31.1	Very low	30.3	Very low	80 Å²	80	144.6 Å²	144.6	66%	0.661	78%	0.784	S	S	*	*			trans	-72.8	120.9	178.2	0	0	0	0	0	110.6	Q606 Y610	Q606-A608 PolarHBondContact O-N 3.02Å; Q606-A608 VanDerWaalsContact O-N 3.07Å; A608-Y610 PolarHBondContact O-N 3.1Å
609	D	27.6	Very low	30.3	Very low	159 Å²	159	142.7 Å²	142.7	85%	0.85	78%	0.784	S	S	*	*			trans	-52.4	130.6	170.5	-93.9	-56	0	0	0	111.7	A607	A607-D609 PolarHBondContact O-N 2.81Å
610	Y	30.2	Very low	31	Very low	208 Å²	208	138.2 Å²	138.2	82%	0.816	77%	0.769	S	S	*	*			trans	-133.2	133.9	156.9	-90.7	-80.8	0	0	0	109.8	A608	A608-Y610 PolarHBondContact O-N 3.1Å
611	P	31.2	Very low	32.9	Very low	117 Å²	117	138.1 Å²	138.1	76%	0.76	76%	0.759	S	S	*	*			trans	-76.9	140	-159.8	-15.8	31.8	0	0	0	113.1	P613	P611-P613 WeakPolarHBondContact O-CD 3.45Å
612	N	26.7	Very low	35.2	Very low	146 Å²	146	139.4 Å²	139.4	78%	0.781	75%	0.752	S	S	*	*			trans	-63.5	113.5	170.5	174.3	9.7	0	0	0	111.4	N614	N612-N614 PolarHBondContact O-N 2.95Å
613	P	35.5	Very low	37.8	Very low	120 Å²	120	135.3 Å²	135.3	78%	0.779	73%	0.725	S	S	*	*			trans	-99	65	-176.8	37.4	-27.2	0	0	0	112.4	P611	P611-P613 WeakPolarHBondContact O-CD 3.45Å
614	N	30.4	Very low	40.7	Very low	143 Å²	143	128.5 Å²	128.5	77%	0.765	70%	0.698	S	S	*	*			trans	63.9	150.3	161.5	-115.1	-1.8	0	0	0	118.9	N612	N612-N614 PolarHBondContact O-N 2.95Å
615	P	31.7	Very low	43.7	Very low	112 Å²	112	121 Å²	121	73%	0.727	66%	0.663	S	S	*	*	S	Bend	trans	-84	141.4	-177.6	33.7	-32.6	0	0	0	112.9
616	N	27.7	Very low	46.7	Very low	138 Å²	138	114.4 Å²	114.4	74%	0.738	64%	0.636	S	S	*	*			trans	64.7	110.4	156.2	-132.5	-22.6	0	0	0	117.7	R618	N616-R618 PolarHBondContact OD1-N 2.97Å; N616-R618 VanDerWaalsContact OD1-N 3.14Å
617	P	27.6	Very low	49.7	Very low	126 Å²	126	106.6 Å²	106.6	82%	0.818	60%	0.6	S	S	*	*	S	Bend	trans	-128.9	87	132.3	35.3	-26.5	0	0	0	111.7	G619	P617-G619 PolarHBondContact O-N 3.23Å
618	R	31.5	Very low	52.9	Low	233 Å²	233	105.5 Å²	105.5	88%	0.879	58%	0.577	S	S	*	*			trans	32.8	70.9	166.7	-63.5	-172.5	-174.4	-169	2.4	113.7	N616 S620	N616-R618 PolarHBondContact OD1-N 2.97Å; N616-R618 VanDerWaalsContact OD1-N 3.14Å; R618-S620 PolarHBondContact O-N 3.49Å
619	G	33.3	Very low	55.9	Low	72 Å²	72	101.8 Å²	101.8	74%	0.742	55%	0.546	S	S	*	.			trans	-46.7	126.8	-177.5	0	0	0	0	0	112.1	P617 E621	P617-G619 PolarHBondContact O-N 3.23Å; G619-E621 PolarHBondContact O-N 2.86Å
620	S	52.7	Low	59	Low	79 Å²	79	97.4 Å²	97.4	55%	0.552	52%	0.52	S	S	*	.			trans	-68.5	104.5	-171.2	61.2	0	0	0	0	110.9	R618 M622	R618-S620 PolarHBondContact O-N 3.49Å; S620-M622 WeakPolarHBondContact O-CG 3.39Å; S620-M622 PolarHBondContact O-N 2.95Å
621	E	72.2	Confident	61.9	Low	130 Å²	130	87.9 Å²	87.9	61%	0.607	49%	0.485	S	S	*	.			trans	-47	120.9	179.9	-169	170.8	-149.7	0	0	111.7	G619 T666	G619-E621 PolarHBondContact O-N 2.86Å; E621-T666 WeakPolarHBondContact O-CB 3.38Å; E621-T666 PolarHBondContact O-N 2.69Å; E621-T666 PolarHBondContact O-OG1 3.12Å
622	M	80.1	Confident	64.8	Low	78 Å²	78	84.2 Å²	84.2	38%	0.384	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	123.3	-175.8	-67.6	-62.6	-75.1	0	0	110.6	S620 I663 P665	S620-M622 WeakPolarHBondContact O-CG 3.39Å; S620-M622 PolarHBondContact O-N 2.95Å; M622-I663 HydrophobicContact CE-CB 3.99Å; M622-I663 HydrophobicContact CE-CD1 3.72Å; M622-I663 HydrophobicContact CE-CG1 3.68Å; M622-P665 HydrophobicContact CE-CG 4.06Å; M622-P665 HydrophobicContact SD-CB 3.96Å; M622-P665 HydrophobicContact SD-CG 3.79Å
623	E	85.1	Confident	67.9	Low	40 Å²	40	77.6 Å²	77.6	19%	0.187	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	133.9	-172.6	-85.8	-78.1	-157.4	0	0	112	R562 F625 I663 I664 T666 L669	R562-E623 VanDerWaalsContact CZ-CD 3.48Å; R562-E623 IonicContact CZ-OE1 2.71Å; R562-E623 IonicContact CZ-OE2 3.8Å; R562-E623 VanDerWaalsContact NE-CD 3.26Å; R562-E623 IonicContact NE-OE1 2.7Å; R562-E623 PolarHBondContact NE-OE1 2.68Å; R562-E623 IonicContact NE-OE2 3.73Å; R562-E623 PolarHBondContact NE-OE2 2.98Å; R562-E623 IonicContact NH2-OE1 3.26Å; R562-E623 PolarHBondContact NH2-OE1 3.08Å; R562-E623 IonicContact NH2-OE2 3.34Å; R562-E623 PolarHBondContact NH2-OE2 3.37Å; E623-F625 HydrophobicContact CB-CE2 4.29Å; E623-I663 CarbonylContact O-C 3.54Å; E623-I663 WeakPolarHBondContact O-CA 3.15Å; E623-I664 WeakPolarHBondContact CB-O 3.47Å; E623-I664 PolarHBondContact N-O 3.32Å; E623-I664 PolarHBondContact O-N 3.11Å; E623-T666 HydrophobicContact CG-CG2 4.47Å; E623-T666 WeakPolarHBondContact CG-OG1 3.33Å; E623-L669 HydrophobicContact CB-CD1 3.52Å; E623-L669 HydrophobicContact CG-CD1 3.92Å
624	R	89.2	Confident	70.4	Confident	73 Å²	73	73.7 Å²	73.7	28%	0.275	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	138.5	-168.3	-57.6	-175.4	176.3	-168.2	-1.5	111.3	R562 D563 T661 W662 I663	R562-R624 CarbonylContact C-O 3.5Å; R562-R624 WeakPolarHBondContact CA-O 3.45Å; R562-R624 VanDerWaalsContact CG-O 3.29Å; R562-R624 WeakPolarHBondContact CG-O 3.25Å; D563-R624 HydrophobicContact CB-CB 3.71Å; D563-R624 PolarHBondContact N-O 2.9Å; D563-R624 VanDerWaalsContact OD2-CD 3.28Å; D563-R624 WeakPolarHBondContact OD2-CD 3.32Å; D563-R624 IonicContact OD2-NH1 3.17Å; R624-T661 HydrophobicContact CB-CG2 4.32Å; R624-W662 CarbonylContact C-O 3.5Å; R624-I663 HydrophobicContact CG-CG2 4.33Å
625	F	90.1	Very high	72.8	Confident	15 Å²	15	71.3 Å²	71.3	7%	0.066	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	137.1	177.4	-69.7	-94.5	0	0	0	111.3	V559 G561 R562 E623 L627 W662 I664 L669 I676	V559-F625 HydrophobicContact CG1-CD1 4.01Å; G561-F625 WeakPolarHBondContact O-CA 3.42Å; G561-F625 WeakPolarHBondContact O-CD1 3.24Å; R562-F625 HydrophobicContact CB-CD1 4.39Å; R562-F625 HydrophobicContact CB-CE1 4.25Å; R562-F625 HydrophobicContact CG-CD1 4.48Å; R562-F625 HydrophobicContact CG-CE1 4.15Å; R562-F625 HydrophobicContact CG-CZ 4.23Å; E623-F625 HydrophobicContact CB-CE2 4.29Å; F625-L627 PolarHBondContact O-N 3.47Å; F625-W662 HydrophobicContact CB-CB 4.4Å; F625-W662 HydrophobicContact CB-CE3 4.38Å; F625-W662 PolarHBondContact N-O 3.09Å; F625-W662 PolarHBondContact O-N 3.44Å; F625-I664 HydrophobicContact CD2-CD1 3.71Å; F625-I664 HydrophobicContact CD2-CG1 4.04Å; F625-I664 HydrophobicContact CE2-CB 4.42Å; F625-I664 HydrophobicContact CE2-CD1 3.79Å; F625-I664 HydrophobicContact CE2-CG1 4.25Å; F625-L669 HydrophobicContact CE2-CD1 3.89Å; F625-L669 HydrophobicContact CE2-CD2 4.12Å; F625-L669 HydrophobicContact CZ-CD1 4.08Å; F625-L669 HydrophobicContact CZ-CD2 4.13Å; F625-I676 HydrophobicContact CD1-CG2 4.26Å; F625-I676 HydrophobicContact CE1-CG2 4.04Å
626	D	91.4	Very high	74.6	Confident	62 Å²	62	67.1 Å²	67.1	33%	0.332	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	118.3	171.6	-64	-54.5	0	0	0	109.7	I560 G561	I560-D626 HydrophobicContact CB-CB 4Å; I560-D626 PolarHBondContact N-O 2.94Å; G561-D626 PolarHBondContact O-N 2.04Å
627	L	92.1	Very high	76	Confident	4 Å²	4	68.7 Å²	68.7	2%	0.021	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	137.3	170.2	-67.4	-174.1	0	0	0	111.3	A557 K558 V559 F625 P659 M660 W662 I684 L696	A557-L627 HydrophobicContact CB-CB 4.24Å; A557-L627 HydrophobicContact CB-CD1 3.97Å; A557-L627 HydrophobicContact CB-CD2 4.27Å; A557-L627 HydrophobicContact CB-CG 4.42Å; K558-L627 WeakPolarHBondContact O-CA 3.26Å; V559-L627 HydrophobicContact CB-CD2 4.32Å; V559-L627 HydrophobicContact CG2-CD2 3.68Å; F625-L627 PolarHBondContact O-N 3.47Å; L627-P659 CarbonylContact O-C 3.45Å; L627-P659 VanDerWaalsContact O-CA 3.29Å; L627-P659 WeakPolarHBondContact O-CA 3.04Å; L627-M660 WeakPolarHBondContact CA-O 3.37Å; L627-M660 HydrophobicContact CB-CB 4.48Å; L627-M660 WeakPolarHBondContact CB-O 3.14Å; L627-M660 PolarHBondContact N-O 3Å; L627-M660 PolarHBondContact O-N 3.12Å; L627-W662 HydrophobicContact CD1-CB 3.61Å; L627-W662 HydrophobicContact CD1-CD2 3.86Å; L627-W662 HydrophobicContact CD1-CE3 3.99Å; L627-W662 HydrophobicContact CD1-CG 3.77Å; L627-W662 HydrophobicContact CD2-CD2 4.43Å; L627-W662 HydrophobicContact CD2-CE3 3.72Å; L627-W662 HydrophobicContact CD2-CZ3 4.21Å; L627-W662 HydrophobicContact CG-CB 3.73Å; L627-W662 HydrophobicContact CG-CD2 4.33Å; L627-W662 HydrophobicContact CG-CE3 4.08Å; L627-W662 HydrophobicContact CG-CG 4.27Å; L627-I684 HydrophobicContact CD1-CD1 3.79Å; L627-L696 HydrophobicContact CD1-CD1 4.38Å
628	Q	93.7	Very high	76.9	Confident	81 Å²	81	67 Å²	67	38%	0.379	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	107.3	158.9	-179.4	67.8	48.6	0	0	108.5	A557 K558 I560 Q630 G658	A557-Q628 CarbonylContact C-O 3.58Å; A557-Q628 WeakPolarHBondContact CA-O 3.3Å; K558-Q628 PolarHBondContact N-O 3.35Å; K558-Q628 PolarHBondContact O-N 2.91Å; I560-Q628 HydrophobicContact CD1-CB 3.79Å; I560-Q628 HydrophobicContact CG1-CB 3.8Å; Q628-Q630 PolarHBondContact O-N 2.71Å; Q628-G658 PolarHBondContact NE2-O 3.14Å
629	I	93.3	Very high	77.4	Confident	2 Å²	2	59.9 Å²	59.9	1%	0.01	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	117.4	174.6	-58.2	-176.4	0	0	0	108.9	I555 A557 V632 L655 G658 M660 L696	I555-I629 HydrophobicContact CB-CG2 4.5Å; I555-I629 HydrophobicContact CD1-CD1 4.08Å; I555-I629 HydrophobicContact CD1-CG1 4.25Å; A557-I629 HydrophobicContact CB-CG1 4.32Å; I629-V632 HydrophobicContact CG2-CG2 3.99Å; I629-L655 HydrophobicContact CD1-CD2 3.55Å; I629-G658 PolarHBondContact N-O 2.94Å; I629-G658 PolarHBondContact O-N 2.79Å; I629-M660 HydrophobicContact CD1-CB 3.72Å; I629-M660 HydrophobicContact CD1-CG 4.02Å; I629-M660 HydrophobicContact CG1-CB 4.02Å; I629-L696 HydrophobicContact CD1-CD1 4.38Å
630	Q	92.8	Very high	77.8	Confident	66 Å²	66	62.3 Å²	62.3	31%	0.308	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	-36.3	-176.8	-56.8	-177.7	-87.3	0	0	111.7	M556 K558 Q628 R657 S681	M556-Q630 HydrophobicContact CG-CB 4.19Å; M556-Q630 PolarHBondContact O-N 3.5Å; M556-Q630 HydrophobicContact SD-CB 4.26Å; K558-Q630 HydrophobicContact CB-CG 4.44Å; Q628-Q630 PolarHBondContact O-N 2.71Å; Q630-R657 WeakPolarHBondContact O-CD 3.48Å; Q630-R657 VanDerWaalsContact O-CZ 3.27Å; Q630-R657 PolarHBondContact O-NE 3.42Å; Q630-R657 PolarHBondContact O-NH1 3.16Å; Q630-R657 VanDerWaalsContact O-NH1 3.12Å; Q630-S681 PolarHBondContact OE1-OG 3.48Å
631	A	92.7	Very high	77.1	Confident	8 Å²	8	62.3 Å²	62.3	7%	0.066	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	151.7	174.4	0	0	0	0	0	112.4	I555 M556 F633	I555-A631 CarbonylContact C-O 3.51Å; I555-A631 WeakPolarHBondContact CA-O 3.44Å; M556-A631 HydrophobicContact CB-CB 4.21Å; M556-A631 PolarHBondContact N-O 2.92Å; M556-A631 PolarHBondContact O-N 3.11Å; M556-A631 VanDerWaalsContact O-N 3.13Å; A631-F633 HydrophobicContact CB-CE1 4.48Å; A631-F633 HydrophobicContact CB-CE2 4.44Å; A631-F633 HydrophobicContact CB-CZ 4.1Å
632	V	91.6	Very high	75.2	Confident	41 Å²	41	61.8 Å²	61.8	25%	0.248	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	132.2	171.9	-177.9	0	0	0	0	108.3	I555 I629	I555-V632 HydrophobicContact CG2-CB 4.4Å; I555-V632 HydrophobicContact CG2-CG1 4.23Å; I555-V632 HydrophobicContact CG2-CG2 4.05Å; I629-V632 HydrophobicContact CG2-CG2 3.99Å
633	F	90.9	Very high	72.8	Confident	6 Å²	6	61.7 Å²	61.7	3%	0.026	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	-31.7	-179	-56.4	-73	0	0	0	113.1	F548 A554 M556 A631 W707 Y712 M715 Q719	F548-F633 HydrophobicContact CE2-CB 4.11Å; F548-F633 HydrophobicContact CZ-CB 4.31Å; A554-F633 HydrophobicContact CB-CB 4.27Å; A554-F633 WeakPolarHBondContact O-CA 3.35Å; A554-F633 PolarHBondContact O-N 3.37Å; M556-F633 HydrophobicContact CB-CE2 3.88Å; M556-F633 HydrophobicContact CB-CZ 4.35Å; A631-F633 HydrophobicContact CB-CE1 4.48Å; A631-F633 HydrophobicContact CB-CE2 4.44Å; A631-F633 HydrophobicContact CB-CZ 4.1Å; F633-W707 HydrophobicContact CE2-CH2 4.1Å; F633-W707 HydrophobicContact CE2-CZ3 4.19Å; F633-W707 AromaticContact CZ-CH2 3.84Å; F633-W707 HydrophobicContact CZ-CH2 3.84Å; F633-W707 HydrophobicContact CZ-CZ3 4.39Å; F633-Y712 HydrophobicContact CE1-CD2 4.09Å; F633-Y712 HydrophobicContact CE1-CE2 4.01Å; F633-Y712 HydrophobicContact CZ-CD2 4.03Å; F633-Y712 HydrophobicContact CZ-CE2 4.23Å; F633-M715 HydrophobicContact CB-CB 4.41Å; F633-M715 HydrophobicContact CD1-CB 3.65Å; F633-M715 HydrophobicContact CD2-CB 3.91Å; F633-M715 HydrophobicContact CD2-CG 4.03Å; F633-M715 HydrophobicContact CE1-CB 3.75Å; F633-M715 HydrophobicContact CE2-CB 4Å; F633-M715 HydrophobicContact CE2-CG 4.06Å; F633-M715 HydrophobicContact CG-CB 3.74Å; F633-M715 HydrophobicContact CG-CG 4.32Å; F633-M715 HydrophobicContact CZ-CB 3.93Å; F633-M715 HydrophobicContact CZ-CG 4.38Å; F633-Q719 WeakPolarHBondContact O-CG 3.45Å; F633-Q719 PolarHBondContact O-NE2 3.31Å
634	K	88.9	Confident	70.1	Confident	39 Å²	39	64.9 Å²	64.9	17%	0.17	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	144.8	169.7	-162.5	-165.6	173.3	-160	0	109.8	F548 C549 R551 Y553 A554 S636	F548-K634 HydrophobicContact CE1-CB 4.14Å; F548-K634 HydrophobicContact CE1-CD 4.42Å; F548-K634 HydrophobicContact CE1-CG 4.38Å; F548-K634 HydrophobicContact CE2-CB 4.31Å; F548-K634 HydrophobicContact CZ-CB 3.79Å; C549-K634 PolarHBondContact O-NZ 3.36Å; R551-K634 WeakPolarHBondContact O-CD 3.35Å; R551-K634 PolarHBondContact O-NZ 3.18Å; Y553-K634 VanDerWaalsContact CA-O 3.31Å; Y553-K634 WeakPolarHBondContact CA-O 3.45Å; A554-K634 HydrophobicContact CB-CB 3.87Å; A554-K634 PolarHBondContact N-O 2.79Å; A554-K634 PolarHBondContact O-N 2.95Å; K634-S636 PolarHBondContact NZ-OG 2.75Å
635	R	81	Confident	67.1	Low	93 Å²	93	65.2 Å²	65.2	35%	0.351	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	128.1	156	-172.7	-173.9	-179.4	-128.7	1.1	106	D552 T653	D552-R635 CarbonylContact O-C 3.53Å; D552-R635 VanDerWaalsContact O-CA 3.24Å; D552-R635 WeakPolarHBondContact O-CA 3.38Å; R635-T653 PolarHBondContact NE-O 2.96Å; R635-T653 PolarHBondContact NH2-O 2.7Å
636	S	69.5	Low	64.3	Low	23 Å²	23	71.9 Å²	71.9	16%	0.161	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-64.5	150	170.4	-66.7	0	0	0	0	109.8	D552 K634	D552-S636 WeakPolarHBondContact CA-OG 3.25Å; D552-S636 PolarHBondContact O-N 3.09Å; D552-S636 PolarHBondContact O-OG 3.44Å; K634-S636 PolarHBondContact NZ-OG 2.75Å
637	R	56.3	Low	61.4	Low	172 Å²	172	74.3 Å²	74.3	65%	0.649	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-75.7	149.6	169.1	-74.2	165.3	163.2	170.8	-7.9	110	G639 E640	R637-G639 PolarHBondContact O-N 3.3Å; R637-E640 HydrophobicContact CB-CB 4.26Å; R637-E640 VanDerWaalsContact CD-OE1 3.27Å; R637-E640 WeakPolarHBondContact CD-OE1 3.49Å; R637-E640 WeakPolarHBondContact CD-OE2 3.28Å; R637-E640 IonicContact NH1-OE1 3.06Å; R637-E640 PolarHBondContact NH1-OE1 3.29Å; R637-E640 VanDerWaalsContact NH1-OE1 3.1Å; R637-E640 PolarHBondContact O-N 2.77Å
638	P	45.8	Very low	58.5	Low	90 Å²	90	84.6 Å²	84.6	58%	0.584	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	123.5	166.8	-15.5	29.3	0	0	0	108.9	P651	P638-P651 HydrophobicContact CG-CB 4.02Å; P638-P651 HydrophobicContact CG-CG 3.92Å
639	G	41.9	Very low	55.4	Low	83 Å²	83	84 Å²	84	86%	0.856	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.4	-5.6	178.7	0	0	0	0	0	117	R637 S641	R637-G639 PolarHBondContact O-N 3.3Å; G639-S641 PolarHBondContact O-N 2.82Å
640	E	42	Very low	52.9	Low	124 Å²	124	92.3 Å²	92.3	58%	0.579	56%	0.563	S	S	*	*			trans	-94.8	19.9	-172.2	-119.1	168.2	-150.5	0	0	114.5	R637	R637-E640 HydrophobicContact CB-CB 4.26Å; R637-E640 VanDerWaalsContact CD-OE1 3.27Å; R637-E640 WeakPolarHBondContact CD-OE1 3.49Å; R637-E640 WeakPolarHBondContact CD-OE2 3.28Å; R637-E640 IonicContact NH1-OE1 3.06Å; R637-E640 PolarHBondContact NH1-OE1 3.29Å; R637-E640 VanDerWaalsContact NH1-OE1 3.1Å; R637-E640 PolarHBondContact O-N 2.77Å
641	S	38.6	Very low	50.6	Low	78 Å²	78	91.7 Å²	91.7	55%	0.545	57%	0.565	S	S	.	*	S	Bend	trans	-141.8	79.5	-175	64.8	0	0	0	0	115.5	G639	G639-S641 PolarHBondContact O-N 2.82Å
642	S	33.1	Very low	48.6	Very low	120 Å²	120	93.7 Å²	93.7	84%	0.839	57%	0.574	S	S	*	*			trans	33.3	107.8	145.6	64.9	0	0	0	0	120.5
643	G	28.3	Very low	46.8	Very low	75 Å²	75	92 Å²	92	77%	0.773	56%	0.564	S	S	*	*	S	Bend	trans	100.6	132.8	143.6	0	0	0	0	0	117.1
644	A	29.5	Very low	45.4	Very low	107 Å²	107	96.7 Å²	96.7	88%	0.884	59%	0.594	S	S	*	*			trans	61.7	131.1	-174.3	0	0	0	0	0	114.6
645	G	26.4	Very low	44.8	Very low	80 Å²	80	95.7 Å²	95.7	83%	0.825	59%	0.59	S	S	*	*			trans	-79.2	141.9	-178.4	0	0	0	0	0	112
646	N	30.4	Very low	44.8	Very low	156 Å²	156	98.6 Å²	98.6	83%	0.834	61%	0.605	S	S	*	*			trans	-140	121.5	149.2	-134.1	1	0	0	0	108.8
647	V	30.2	Very low	45.7	Very low	113 Å²	113	105.9 Å²	105.9	69%	0.685	63%	0.629	S	S	*	*	S	Bend	trans	-70.3	147.3	166.9	-176.2	0	0	0	0	106.9
648	Y	31.1	Very low	47.2	Very low	219 Å²	219	98.2 Å²	98.2	86%	0.859	60%	0.604	S	S	*	*			trans	68.1	94.1	-170.3	-46	-75.4	0	0	0	114.2
649	G	30	Very low	49.2	Very low	69 Å²	69	99.3 Å²	99.3	71%	0.711	61%	0.611	S	S	*	*			trans	-151.7	86.2	174.9	0	0	0	0	0	112.7
650	M	39	Very low	51.5	Low	176 Å²	176	97 Å²	97	87%	0.867	58%	0.578	S	S	*	*			trans	-65.8	143.7	161.7	-81	-163.2	178.9	0	0	109.5	N652	M650-N652 PolarHBondContact O-N 2.95Å
651	P	45.2	Very low	53.7	Low	54 Å²	54	92.8 Å²	92.8	35%	0.351	56%	0.561	S	S	.	*			trans	-66.4	119.4	175.5	27.4	-34	0	0	0	110.5	P638 T653	P638-P651 HydrophobicContact CG-CB 4.02Å; P638-P651 HydrophobicContact CG-CG 3.92Å; P651-T653 PolarHBondContact O-N 3.22Å
652	N	51.1	Low	56.2	Low	49 Å²	49	89.1 Å²	89.1	26%	0.262	54%	0.535	S	S	.	.	S	Bend	trans	-48.4	-31.1	-170.2	-79.4	2.3	0	0	0	115.2	M650 D688 A691 P693 G694	M650-N652 PolarHBondContact O-N 2.95Å; N652-D688 HydrophobicContact CB-CB 4.42Å; N652-D688 PolarHBondContact ND2-O 2.03Å; N652-A691 PolarHBondContact ND2-O 3.46Å; N652-P693 CarbonylContact O-C 3.58Å; N652-P693 WeakPolarHBondContact O-CA 3.06Å; N652-G694 PolarHBondContact O-N 3.19Å
653	T	52.7	Low	58.9	Low	5 Å²	5	84.1 Å²	84.1	3%	0.031	50%	0.499	C	S	.	.			trans	-137.9	133.8	177.8	67	0	0	0	0	113.6	R635 P651 L655 M660 Y695 L696	R635-T653 PolarHBondContact NE-O 2.96Å; R635-T653 PolarHBondContact NH2-O 2.7Å; P651-T653 PolarHBondContact O-N 3.22Å; T653-L655 VanDerWaalsContact C-N 3.3Å; T653-L655 PolarHBondContact O-N 3.31Å; T653-L655 VanDerWaalsContact O-N 3.16Å; T653-M660 HydrophobicContact CG2-CE 3.53Å; T653-Y695 VanDerWaalsContact CG2-O 3.24Å; T653-Y695 WeakPolarHBondContact CG2-O 3.04Å; T653-L696 HydrophobicContact CG2-CD2 4.13Å
654	T	62.3	Low	61.8	Low	106 Å²	106	80.6 Å²	80.6	65%	0.65	46%	0.462	S	S	*	.			trans	-84.6	71.9	165.3	55.2	0	0	0	0	110.1	K656	T654-K656 PolarHBondContact O-N 3.02Å
655	L	75.3	Confident	64.5	Low	17 Å²	17	76 Å²	76	9%	0.089	42%	0.424	C	S	.	.			trans	-56.9	100.7	-179.4	-89	168.1	0	0	0	113	Y553 I555 I629 T653 L696	Y553-L655 HydrophobicContact CD1-CD1 4.03Å; Y553-L655 HydrophobicContact CD2-CD1 4.42Å; Y553-L655 HydrophobicContact CG-CD1 3.71Å; I555-L655 HydrophobicContact CD1-CD2 4.45Å; I555-L655 HydrophobicContact CG2-CD2 4.16Å; I629-L655 HydrophobicContact CD1-CD2 3.55Å; T653-L655 VanDerWaalsContact C-N 3.3Å; T653-L655 PolarHBondContact O-N 3.31Å; T653-L655 VanDerWaalsContact O-N 3.16Å; L655-L696 HydrophobicContact CD1-CD2 4.44Å; L655-L696 HydrophobicContact CD2-CD1 4.13Å; L655-L696 HydrophobicContact CD2-CD2 4.05Å; L655-L696 HydrophobicContact CG-CD2 4.42Å
656	K	82.3	Confident	67.2	Low	154 Å²	154	73.1 Å²	73.1	67%	0.67	39%	0.39	S	S	*	.			trans	-121.3	169	173.2	61.7	-174.4	178.1	-176.8	0	110.6	T654	T654-K656 PolarHBondContact O-N 3.02Å
657	R	87.7	Confident	69.6	Low	176 Å²	176	71 Å²	71	66%	0.664	37%	0.374	S	S	*	.	S	Bend	trans	-69	137.1	165.5	-63.5	-173.3	-171.5	-154	8.1	108.5	Q630	Q630-R657 WeakPolarHBondContact O-CD 3.48Å; Q630-R657 VanDerWaalsContact O-CZ 3.27Å; Q630-R657 PolarHBondContact O-NE 3.42Å; Q630-R657 PolarHBondContact O-NH1 3.16Å; Q630-R657 VanDerWaalsContact O-NH1 3.12Å
658	G	87.8	Confident	72.1	Confident	12 Å²	12	67.7 Å²	67.7	12%	0.124	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	146.9	-174	-172.7	0	0	0	0	0	112.7	Q628 I629	Q628-G658 PolarHBondContact NE2-O 3.14Å; I629-G658 PolarHBondContact N-O 2.94Å; I629-G658 PolarHBondContact O-N 2.79Å
659	P	89.2	Confident	74.6	Confident	113 Å²	113	59 Å²	59	73%	0.734	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.9	149.6	167.9	30.3	-35.2	0	0	0	111.2	L627	L627-P659 CarbonylContact O-C 3.45Å; L627-P659 VanDerWaalsContact O-CA 3.29Å; L627-P659 WeakPolarHBondContact O-CA 3.04Å
660	M	88.5	Confident	77	Confident	33 Å²	33	58.7 Å²	58.7	16%	0.163	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	139.1	175	-170.3	70.3	-168.7	0	0	109.7	L627 I629 T653 G694 L696	L627-M660 WeakPolarHBondContact CA-O 3.37Å; L627-M660 HydrophobicContact CB-CB 4.48Å; L627-M660 WeakPolarHBondContact CB-O 3.14Å; L627-M660 PolarHBondContact N-O 3Å; L627-M660 PolarHBondContact O-N 3.12Å; I629-M660 HydrophobicContact CD1-CB 3.72Å; I629-M660 HydrophobicContact CD1-CG 4.02Å; I629-M660 HydrophobicContact CG1-CB 4.02Å; T653-M660 HydrophobicContact CG2-CE 3.53Å; M660-G694 WeakPolarHBondContact CE-O 3.16Å; M660-L696 HydrophobicContact CE-CD2 4.25Å; M660-L696 HydrophobicContact CE-CG 3.9Å; M660-L696 HydrophobicContact CG-CD1 3.84Å; M660-L696 HydrophobicContact CG-CG 3.87Å
661	T	89.3	Confident	79	Confident	37 Å²	37	51.4 Å²	51.4	23%	0.227	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	134.5	174.8	-47.2	0	0	0	0	110.8	R624 Y695 L696	R624-T661 HydrophobicContact CB-CG2 4.32Å; T661-Y695 HydrophobicContact CG2-CD1 3.83Å; T661-Y695 HydrophobicContact CG2-CE1 3.91Å; T661-L696 PolarHBondContact O-N 2.99Å
662	W	90.9	Very high	80.6	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	123.8	179	-171.6	32.7	0	0	0	110.1	V559 R624 F625 L627 I664 I676 I684 L696 G697 I698 V704	V559-W662 HydrophobicContact CG2-CZ3 4.12Å; R624-W662 CarbonylContact C-O 3.5Å; F625-W662 HydrophobicContact CB-CB 4.4Å; F625-W662 HydrophobicContact CB-CE3 4.38Å; F625-W662 PolarHBondContact N-O 3.09Å; F625-W662 PolarHBondContact O-N 3.44Å; L627-W662 HydrophobicContact CD1-CB 3.61Å; L627-W662 HydrophobicContact CD1-CD2 3.86Å; L627-W662 HydrophobicContact CD1-CE3 3.99Å; L627-W662 HydrophobicContact CD1-CG 3.77Å; L627-W662 HydrophobicContact CD2-CD2 4.43Å; L627-W662 HydrophobicContact CD2-CE3 3.72Å; L627-W662 HydrophobicContact CD2-CZ3 4.21Å; L627-W662 HydrophobicContact CG-CB 3.73Å; L627-W662 HydrophobicContact CG-CD2 4.33Å; L627-W662 HydrophobicContact CG-CE3 4.08Å; L627-W662 HydrophobicContact CG-CG 4.27Å; W662-I664 HydrophobicContact CD2-CD1 4.12Å; W662-I664 HydrophobicContact CD2-CG1 4.27Å; W662-I664 HydrophobicContact CE3-CD1 3.94Å; W662-I664 HydrophobicContact CH2-CD1 4.33Å; W662-I664 HydrophobicContact CZ2-CD1 4.46Å; W662-I664 HydrophobicContact CZ3-CD1 4.05Å; W662-I676 HydrophobicContact CH2-CD1 3.57Å; W662-I676 HydrophobicContact CZ3-CD1 3.66Å; W662-I676 HydrophobicContact CZ3-CG1 4.33Å; W662-I684 HydrophobicContact CD2-CD1 4.39Å; W662-I684 HydrophobicContact CE3-CD1 4.44Å; W662-I684 HydrophobicContact CH2-CD1 3.72Å; W662-I684 HydrophobicContact CH2-CG1 4.26Å; W662-I684 HydrophobicContact CZ2-CD1 3.67Å; W662-I684 HydrophobicContact CZ2-CG1 4.17Å; W662-I684 HydrophobicContact CZ2-CG2 4.25Å; W662-I684 HydrophobicContact CZ3-CD1 4.14Å; W662-L696 CarbonylContact C-O 3.49Å; W662-L696 WeakPolarHBondContact CA-O 3.45Å; W662-G697 PolarHBondContact NE1-O 3.15Å; W662-I698 HydrophobicContact CH2-CD1 4.12Å; W662-I698 HydrophobicContact CZ2-CD1 3.48Å; W662-I698 VanDerWaalsContact CZ2-CD1 3.48Å; W662-I698 HydrophobicContact CZ2-CG1 3.68Å; W662-V704 HydrophobicContact CH2-CG1 3.95Å; W662-V704 HydrophobicContact CH2-CG2 4.06Å; W662-V704 HydrophobicContact CZ2-CG1 4.46Å; W662-V704 HydrophobicContact CZ2-CG2 3.72Å
663	I	89.4	Confident	81.7	Confident	16 Å²	16	54.9 Å²	54.9	8%	0.082	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	132.7	-179.4	69.3	178.2	0	0	0	110.4	M622 E623 R624 A691 P692 Y695 L696 G697 I698	M622-I663 HydrophobicContact CE-CB 3.99Å; M622-I663 HydrophobicContact CE-CD1 3.72Å; M622-I663 HydrophobicContact CE-CG1 3.68Å; E623-I663 CarbonylContact O-C 3.54Å; E623-I663 WeakPolarHBondContact O-CA 3.15Å; R624-I663 HydrophobicContact CG-CG2 4.33Å; I663-A691 HydrophobicContact CD1-CB 4.03Å; I663-A691 HydrophobicContact CG1-CB 4.26Å; I663-P692 HydrophobicContact CD1-CG 4.47Å; I663-Y695 HydrophobicContact CG2-CD1 3.74Å; I663-Y695 HydrophobicContact CG2-CE1 4.46Å; I663-Y695 HydrophobicContact CG2-CG 4.25Å; I663-L696 WeakPolarHBondContact CG1-O 3.02Å; I663-L696 PolarHBondContact N-O 3.31Å; I663-G697 CarbonylContact O-C 3.57Å; I663-G697 WeakPolarHBondContact O-CA 3.31Å; I663-I698 PolarHBondContact O-N 3.2Å
664	I	88.8	Confident	82.8	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	129.9	-178	-52.1	-176.6	0	0	0	108.2	E623 F625 W662 T666 D668 L669 I676 I698	E623-I664 WeakPolarHBondContact CB-O 3.47Å; E623-I664 PolarHBondContact N-O 3.32Å; E623-I664 PolarHBondContact O-N 3.11Å; F625-I664 HydrophobicContact CD2-CD1 3.71Å; F625-I664 HydrophobicContact CD2-CG1 4.04Å; F625-I664 HydrophobicContact CE2-CB 4.42Å; F625-I664 HydrophobicContact CE2-CD1 3.79Å; F625-I664 HydrophobicContact CE2-CG1 4.25Å; W662-I664 HydrophobicContact CD2-CD1 4.12Å; W662-I664 HydrophobicContact CD2-CG1 4.27Å; W662-I664 HydrophobicContact CE3-CD1 3.94Å; W662-I664 HydrophobicContact CH2-CD1 4.33Å; W662-I664 HydrophobicContact CZ2-CD1 4.46Å; W662-I664 HydrophobicContact CZ3-CD1 4.05Å; I664-T666 PolarHBondContact O-N 3.09Å; I664-D668 HydrophobicContact CG2-CB 4.29Å; I664-L669 HydrophobicContact CB-CD2 4.28Å; I664-L669 HydrophobicContact CB-CG 4.39Å; I664-L669 HydrophobicContact CD1-CD2 4.1Å; I664-L669 HydrophobicContact CG2-CD1 4.49Å; I664-L669 HydrophobicContact CG2-CD2 3.75Å; I664-L669 HydrophobicContact CG2-CG 3.84Å; I664-I676 HydrophobicContact CD1-CG1 3.92Å; I664-I698 HydrophobicContact CB-CD1 4.4Å; I664-I698 HydrophobicContact CD1-CD1 3.72Å; I664-I698 HydrophobicContact CG1-CD1 3.73Å; I664-I698 HydrophobicContact CG1-CG1 4.08Å; I664-I698 HydrophobicContact CG2-CD1 3.95Å
665	P	86.5	Confident	83.7	Confident	12 Å²	12	59.7 Å²	59.7	8%	0.078	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	133	173	-21.8	33	0	0	0	111.6	M622 K667 D668	M622-P665 HydrophobicContact CE-CG 4.06Å; M622-P665 HydrophobicContact SD-CB 3.96Å; M622-P665 HydrophobicContact SD-CG 3.79Å; P665-K667 VanDerWaalsContact C-N 3.26Å; P665-K667 HydrophobicContact CB-CD 4.23Å; P665-K667 HydrophobicContact CB-CG 3.72Å; P665-K667 PolarHBondContact O-N 2.91Å; P665-D668 WeakPolarHBondContact CD-OD2 3.42Å; P665-D668 VanDerWaalsContact CG-OD2 3.32Å; P665-D668 WeakPolarHBondContact CG-OD2 3.49Å; P665-D668 WeakPolarHBondContact O-CB 2.83Å; P665-D668 PolarHBondContact O-N 3.21Å
666	T	83.4	Confident	84.1	Confident	18 Å²	18	60.4 Å²	60.4	11%	0.11	29%	0.286	C	S	.	.	H	α-helix	trans	-57.2	-40.1	-175.3	-57.5	0	0	0	0	112.2	E621 E623 I664 D668 L669 E670	E621-T666 WeakPolarHBondContact O-CB 3.38Å; E621-T666 PolarHBondContact O-N 2.69Å; E621-T666 PolarHBondContact O-OG1 3.12Å; E623-T666 HydrophobicContact CG-CG2 4.47Å; E623-T666 WeakPolarHBondContact CG-OG1 3.33Å; I664-T666 PolarHBondContact O-N 3.09Å; T666-D668 PolarHBondContact O-N 3.17Å; T666-D668 VanDerWaalsContact O-N 3.09Å; T666-L669 WeakPolarHBondContact O-CB 3.46Å; T666-L669 PolarHBondContact O-N 2.04Å; T666-E670 HydrophobicContact CG2-CG 4.25Å; T666-E670 WeakPolarHBondContact O-CG 3.35Å; T666-E670 PolarHBondContact O-N 2.76Å
667	K	81.8	Confident	84.5	Confident	113 Å²	113	59.8 Å²	59.8	49%	0.491	28%	0.279	S	S	.	.	H	α-helix	trans	-47.6	-36.5	171.1	59.4	174.3	-168.7	-173	0	114.1	P665 E670 C671	P665-K667 VanDerWaalsContact C-N 3.26Å; P665-K667 HydrophobicContact CB-CD 4.23Å; P665-K667 HydrophobicContact CB-CG 3.72Å; P665-K667 PolarHBondContact O-N 2.91Å; K667-E670 WeakPolarHBondContact CA-OE2 3.49Å; K667-C671 WeakPolarHBondContact O-CB 3.47Å; K667-C671 PolarHBondContact O-N 2.61Å; K667-C671 PolarHBondContact O-SG 3.08Å
668	D	82.4	Confident	84.5	Confident	43 Å²	43	55.1 Å²	55.1	23%	0.23	27%	0.27	C	S	.	.	H	α-helix	trans	-80.2	-31	-175.8	-62.5	-21	0	0	0	110.5	I664 P665 T666 C671 R672 C673	I664-D668 HydrophobicContact CG2-CB 4.29Å; P665-D668 WeakPolarHBondContact CD-OD2 3.42Å; P665-D668 VanDerWaalsContact CG-OD2 3.32Å; P665-D668 WeakPolarHBondContact CG-OD2 3.49Å; P665-D668 WeakPolarHBondContact O-CB 2.83Å; P665-D668 PolarHBondContact O-N 3.21Å; T666-D668 PolarHBondContact O-N 3.17Å; T666-D668 VanDerWaalsContact O-N 3.09Å; D668-C671 CarbonylContact O-C 3.52Å; D668-R672 PolarHBondContact O-N 2.9Å; D668-C673 CarbonylContact O-C 3.48Å; D668-C673 PolarHBondContact O-N 2.94Å
669	L	82.5	Confident	84.5	Confident	35 Å²	35	58.9 Å²	58.9	18%	0.183	29%	0.288	C	S	.	.	H	α-helix	trans	-70.7	-42.8	171.5	-59.3	173.6	0	0	0	111.7	E623 F625 I664 T666 R672 I676	E623-L669 HydrophobicContact CB-CD1 3.52Å; E623-L669 HydrophobicContact CG-CD1 3.92Å; F625-L669 HydrophobicContact CE2-CD1 3.89Å; F625-L669 HydrophobicContact CE2-CD2 4.12Å; F625-L669 HydrophobicContact CZ-CD1 4.08Å; F625-L669 HydrophobicContact CZ-CD2 4.13Å; I664-L669 HydrophobicContact CB-CD2 4.28Å; I664-L669 HydrophobicContact CB-CG 4.39Å; I664-L669 HydrophobicContact CD1-CD2 4.1Å; I664-L669 HydrophobicContact CG2-CD1 4.49Å; I664-L669 HydrophobicContact CG2-CD2 3.75Å; I664-L669 HydrophobicContact CG2-CG 3.84Å; T666-L669 WeakPolarHBondContact O-CB 3.46Å; T666-L669 PolarHBondContact O-N 2.04Å; L669-R672 VanDerWaalsContact O-CA 3.27Å; L669-R672 WeakPolarHBondContact O-CA 3.13Å; L669-R672 PolarHBondContact O-N 2.9Å; L669-I676 HydrophobicContact CD2-CG1 4.45Å
670	E	81.8	Confident	84.7	Confident	64 Å²	64	59.5 Å²	59.5	30%	0.299	28%	0.276	S	S	.	.	H	α-helix	trans	-62.6	-44.4	176.1	-66.3	177.1	117.7	0	0	111.3	R531 T666 K667 R672	R531-E670 WeakPolarHBondContact CD-OE2 3.03Å; R531-E670 IonicContact CZ-OE1 3.76Å; R531-E670 IonicContact CZ-OE2 3.57Å; R531-E670 IonicContact NE-OE1 2.75Å; R531-E670 IonicContact NE-OE2 2.71Å; R531-E670 PolarHBondContact NE-OE2 3.24Å; R531-E670 IonicContact NH1-OE1 3.5Å; R531-E670 PolarHBondContact NH1-OE1 3.05Å; R531-E670 IonicContact NH1-OE2 2.68Å; R531-E670 PolarHBondContact NH1-OE2 2.91Å; R531-E670 IonicContact NH2-OE1 3.88Å; R531-E670 IonicContact NH2-OE2 3.74Å; T666-E670 HydrophobicContact CG2-CG 4.25Å; T666-E670 WeakPolarHBondContact O-CG 3.35Å; T666-E670 PolarHBondContact O-N 2.76Å; K667-E670 WeakPolarHBondContact CA-OE2 3.49Å; E670-R672 PolarHBondContact O-N 2.89Å; E670-R672 VanDerWaalsContact O-N 3.09Å
671	C	80.9	Confident	85	Confident	22 Å²	22	59.1 Å²	59.1	15%	0.149	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	10.2	169.5	-64	0	0	0	0	114	Y525 C533 K667 D668 C673	Y525-C671 PolarHBondContact OH-O 2.61Å; C533-C671 VanDerWaalsContact CA-SG 3.6Å; C533-C671 HydrophobicContact CB-CB 3.65Å; C533-C671 WeakPolarHBondContact CB-SG 3.45Å; C533-C671 WeakPolarHBondContact SG-CA 3.39Å; C533-C671 WeakPolarHBondContact SG-CB 3.31Å; C533-C671 CovalentContact SG-SG 2.03Å; C533-C671 PolarHBondContact SG-SG 3.25Å; K667-C671 WeakPolarHBondContact O-CB 3.47Å; K667-C671 PolarHBondContact O-N 2.61Å; K667-C671 PolarHBondContact O-SG 3.08Å; D668-C671 CarbonylContact O-C 3.52Å; C671-C673 WeakPolarHBondContact O-CB 3.41Å; C671-C673 PolarHBondContact O-N 3.2Å
672	R	78.2	Confident	85.2	Confident	139 Å²	139	57.6 Å²	57.6	53%	0.525	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.6	39.2	176.7	-58.1	-176.7	-177.8	166	7	112.3	E528 D668 L669 E670 P674 R675	E528-R672 IonicContact OE2-CZ 3.95Å; E528-R672 IonicContact OE2-NH2 3.38Å; E528-R672 PolarHBondContact OE2-NH2 3.35Å; D668-R672 PolarHBondContact O-N 2.9Å; L669-R672 VanDerWaalsContact O-CA 3.27Å; L669-R672 WeakPolarHBondContact O-CA 3.13Å; L669-R672 PolarHBondContact O-N 2.9Å; E670-R672 PolarHBondContact O-N 2.89Å; E670-R672 VanDerWaalsContact O-N 3.09Å; R672-P674 CarbonylContact O-C 3.59Å; R672-R675 HydrophobicContact CB-CG 4.28Å; R672-R675 WeakPolarHBondContact O-CG 3.44Å; R672-R675 PolarHBondContact O-N 3.39Å
673	C	74.5	Confident	85.3	Confident	37 Å²	37	57.6 Å²	57.6	25%	0.25	27%	0.266	C	S	.	.			trans	-141.7	87.7	-168.5	-173	0	0	0	0	111.5	C536 D668 C671	C536-C673 VanDerWaalsContact CA-SG 3.51Å; C536-C673 HydrophobicContact CB-CB 3.66Å; C536-C673 WeakPolarHBondContact CB-SG 3.38Å; C536-C673 WeakPolarHBondContact SG-CB 3.46Å; C536-C673 CovalentContact SG-SG 2.03Å; C536-C673 PolarHBondContact SG-SG 3.43Å; D668-C673 CarbonylContact O-C 3.48Å; D668-C673 PolarHBondContact O-N 2.94Å; C671-C673 WeakPolarHBondContact O-CB 3.41Å; C671-C673 PolarHBondContact O-N 3.2Å
674	P	74.8	Confident	85.4	Confident	23 Å²	23	56.9 Å²	56.9	15%	0.149	26%	0.262	C	S	.	.	S	Bend	cis	-81.8	158.6	11.3	31.4	-36.8	0	0	0	115.2	R672 I676 I698 V704	R672-P674 CarbonylContact O-C 3.59Å; P674-I676 VanDerWaalsContact C-N 3.34Å; P674-I676 HydrophobicContact CB-CD1 3.94Å; P674-I676 HydrophobicContact CB-CG1 4.49Å; P674-I676 HydrophobicContact CG-CD1 3.56Å; P674-I676 HydrophobicContact CG-CG1 3.92Å; P674-I676 PolarHBondContact O-N 3.41Å; P674-I698 HydrophobicContact CG-CD1 3.6Å; P674-V704 HydrophobicContact CB-CB 3.99Å; P674-V704 HydrophobicContact CB-CG1 3.88Å; P674-V704 HydrophobicContact CG-CB 4.17Å; P674-V704 HydrophobicContact CG-CG1 4.11Å; P674-V704 HydrophobicContact CG-CG2 4.25Å
675	R	80.9	Confident	85.6	Confident	190 Å²	190	56.9 Å²	56.9	72%	0.717	26%	0.262	S	S	*	.			trans	-77.6	82.9	169.4	-64.9	-169	177.7	-175.3	-2.4	110.5	R672 Y682	R672-R675 HydrophobicContact CB-CG 4.28Å; R672-R675 WeakPolarHBondContact O-CG 3.44Å; R672-R675 PolarHBondContact O-N 3.39Å; R675-Y682 PolarHBondContact O-OH 3.27Å
676	I	85.5	Confident	85.8	Confident	32 Å²	32	56.3 Å²	56.3	16%	0.164	26%	0.259	C	S	.	.			trans	-73.3	140.9	175.2	-57.4	-50.4	0	0	0	110.8	V559 F625 W662 I664 L669 P674 Y682 V704	V559-I676 HydrophobicContact CG1-CG2 4.17Å; V559-I676 HydrophobicContact CG2-CG2 4.09Å; F625-I676 HydrophobicContact CD1-CG2 4.26Å; F625-I676 HydrophobicContact CE1-CG2 4.04Å; W662-I676 HydrophobicContact CH2-CD1 3.57Å; W662-I676 HydrophobicContact CZ3-CD1 3.66Å; W662-I676 HydrophobicContact CZ3-CG1 4.33Å; I664-I676 HydrophobicContact CD1-CG1 3.92Å; L669-I676 HydrophobicContact CD2-CG1 4.45Å; P674-I676 VanDerWaalsContact C-N 3.34Å; P674-I676 HydrophobicContact CB-CD1 3.94Å; P674-I676 HydrophobicContact CB-CG1 4.49Å; P674-I676 HydrophobicContact CG-CD1 3.56Å; P674-I676 HydrophobicContact CG-CG1 3.92Å; P674-I676 PolarHBondContact O-N 3.41Å; I676-Y682 WeakPolarHBondContact CA-OH 3.37Å; I676-Y682 HydrophobicContact CD1-CE1 4.37Å; I676-V704 HydrophobicContact CD1-CG1 4.09Å
677	R	88.9	Confident	86	Confident	140 Å²	140	59.7 Å²	59.7	53%	0.528	27%	0.27	S	S	.	.			trans	-137.4	125.7	176.2	-72.7	173.2	165.4	164.3	-9.1	108.7	R680 Y682 E706	R677-R680 HydrophobicContact CB-CB 4.14Å; R677-R680 HydrophobicContact CB-CG 3.71Å; R677-R680 PolarHBondContact O-N 3.3Å; R677-Y682 PolarHBondContact N-OH 2.85Å; R677-E706 IonicContact NH1-OE2 3.11Å; R677-E706 PolarHBondContact NH1-OE2 2.96Å
678	V	89	Confident	86	Confident	78 Å²	78	55.8 Å²	55.8	47%	0.473	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	146.6	172.2	-179.5	0	0	0	0	109.9	V559 I560 R680	V559-V678 HydrophobicContact CG1-CG2 4.42Å; I560-V678 VanDerWaalsContact O-CG1 3.24Å; I560-V678 WeakPolarHBondContact O-CG1 3.31Å; V678-R680 PolarHBondContact O-N 2.81Å
679	N	87.9	Confident	86.1	Confident	92 Å²	92	58.4 Å²	58.4	49%	0.492	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.4	7.8	-172.9	-89.1	-73.3	0	0	0	116.8	K558 V559	K558-N679 VanDerWaalsContact CE-O 3.31Å; K558-N679 WeakPolarHBondContact CE-O 2.98Å; K558-N679 WeakPolarHBondContact CE-OD1 3.13Å; K558-N679 PolarHBondContact NZ-OD1 2.87Å; V559-N679 VanDerWaalsContact O-CA 3.29Å; V559-N679 WeakPolarHBondContact O-CA 3.33Å; V559-N679 PolarHBondContact O-N 3.25Å
680	R	92.7	Very high	86.1	Confident	126 Å²	126	58 Å²	58	48%	0.475	27%	0.273	S	S	.	.			trans	-97.4	148.4	169.9	-65.7	-64.3	176	129.6	-17.4	112.2	V559 R677 V678 Y682 E706	V559-R680 PolarHBondContact N-O 2.75Å; R677-R680 HydrophobicContact CB-CB 4.14Å; R677-R680 HydrophobicContact CB-CG 3.71Å; R677-R680 PolarHBondContact O-N 3.3Å; V678-R680 PolarHBondContact O-N 2.81Å; R680-Y682 HydrophobicContact CB-CD2 4.48Å; R680-Y682 HydrophobicContact CB-CE2 3.7Å; R680-E706 WeakPolarHBondContact CD-OE1 3.15Å; R680-E706 IonicContact CZ-OE1 3.5Å; R680-E706 IonicContact NE-OE1 2.69Å; R680-E706 IonicContact NH1-OE1 2.67Å; R680-E706 PolarHBondContact NH1-OE1 2.88Å
681	S	94	Very high	86.1	Confident	25 Å²	25	55.7 Å²	55.7	18%	0.175	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	145.1	172.1	-62.4	0	0	0	0	110.8	A557 Q630 W707	A557-S681 CarbonylContact O-C 3.52Å; A557-S681 WeakPolarHBondContact O-CA 3.36Å; Q630-S681 PolarHBondContact OE1-OG 3.48Å; S681-W707 WeakPolarHBondContact O-CB 3.37Å; S681-W707 PolarHBondContact O-N 2.91Å
682	Y	94	Very high	86	Confident	5 Å²	5	58 Å²	58	2%	0.02	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	143.7	-178.2	-68.4	-94.7	0	0	0	110.6	M556 A557 V559 R675 I676 R677 R680 V704 I705 E706	M556-Y682 WeakPolarHBondContact CA-O 3.32Å; A557-Y682 PolarHBondContact N-O 2.02Å; A557-Y682 PolarHBondContact O-N 2.87Å; V559-Y682 HydrophobicContact CG2-CD2 3.85Å; V559-Y682 HydrophobicContact CG2-CE2 3.91Å; R675-Y682 PolarHBondContact O-OH 3.27Å; I676-Y682 WeakPolarHBondContact CA-OH 3.37Å; I676-Y682 HydrophobicContact CD1-CE1 4.37Å; R677-Y682 PolarHBondContact N-OH 2.85Å; R680-Y682 HydrophobicContact CB-CD2 4.48Å; R680-Y682 HydrophobicContact CB-CE2 3.7Å; Y682-V704 HydrophobicContact CD1-CG1 3.65Å; Y682-V704 HydrophobicContact CE1-CG1 4.29Å; Y682-V704 HydrophobicContact CG-CG1 4.26Å; Y682-I705 CarbonylContact C-O 3.39Å; Y682-I705 VanDerWaalsContact CA-O 3.27Å; Y682-I705 WeakPolarHBondContact CA-O 3.4Å; Y682-E706 HydrophobicContact CD1-CB 4.29Å; Y682-E706 HydrophobicContact CE1-CB 4Å; Y682-E706 HydrophobicContact CE1-CG 4.49Å
683	L	93.6	Very high	85.7	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	117.6	159.5	171.7	56.8	0	0	0	107.4	L543 I555 L685 V704 I705 W707 W711 M715	L543-L683 HydrophobicContact CD2-CD2 3.74Å; I555-L683 WeakPolarHBondContact O-CA 3.48Å; I555-L683 WeakPolarHBondContact O-CD1 3.04Å; L683-L685 HydrophobicContact CD1-CD1 3.85Å; L683-L685 HydrophobicContact CD1-CG 4.45Å; L683-L685 HydrophobicContact CD2-CD1 4.26Å; L683-L685 HydrophobicContact CG-CD1 3.72Å; L683-V704 WeakPolarHBondContact O-CA 3.31Å; L683-I705 HydrophobicContact CB-CB 4.46Å; L683-I705 PolarHBondContact N-O 3.09Å; L683-I705 PolarHBondContact O-N 3.42Å; L683-W707 HydrophobicContact CB-CE3 3.94Å; L683-W707 HydrophobicContact CB-CZ3 4.07Å; L683-W707 HydrophobicContact CD1-CZ3 4.47Å; L683-W711 HydrophobicContact CD2-CB 4.45Å; L683-W711 HydrophobicContact CD2-CD2 3.96Å; L683-W711 HydrophobicContact CD2-CE3 3.89Å; L683-W711 HydrophobicContact CD2-CG 4.22Å; L683-W711 HydrophobicContact CD2-CZ3 4.46Å; L683-M715 HydrophobicContact CD1-CG 4.01Å; L683-M715 HydrophobicContact CD1-SD 3.87Å; L683-M715 HydrophobicContact CD2-CE 3.98Å; L683-M715 HydrophobicContact CD2-CG 4.06Å; L683-M715 HydrophobicContact CD2-SD 3.86Å
684	I	92.3	Very high	85.7	Confident	0 Å²	0	56 Å²	56	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	128.5	-179.6	-52.4	171.9	0	0	0	108.1	Y553 A554 I555 A557 L627 W662 I703 V704	Y553-I684 HydrophobicContact CE2-CG2 4.22Å; A554-I684 CarbonylContact C-O 3.58Å; A554-I684 WeakPolarHBondContact CA-O 3.28Å; I555-I684 HydrophobicContact CD1-CB 4.44Å; I555-I684 HydrophobicContact CG1-CB 3.91Å; I555-I684 PolarHBondContact N-O 3.35Å; I555-I684 PolarHBondContact O-N 2.99Å; A557-I684 HydrophobicContact CB-CD1 4.21Å; L627-I684 HydrophobicContact CD1-CD1 3.79Å; W662-I684 HydrophobicContact CD2-CD1 4.39Å; W662-I684 HydrophobicContact CE3-CD1 4.44Å; W662-I684 HydrophobicContact CH2-CD1 3.72Å; W662-I684 HydrophobicContact CH2-CG1 4.26Å; W662-I684 HydrophobicContact CZ2-CD1 3.67Å; W662-I684 HydrophobicContact CZ2-CG1 4.17Å; W662-I684 HydrophobicContact CZ2-CG2 4.25Å; W662-I684 HydrophobicContact CZ3-CD1 4.14Å; I684-I703 CarbonylContact C-O 3.52Å; I684-I703 WeakPolarHBondContact CA-O 3.05Å; I684-V704 HydrophobicContact CG2-CG2 4.44Å
685	L	92.2	Very high	86.3	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	126.1	169.3	-49.3	83.6	0	0	0	108.6	L543 F548 R551 Y553 A554 L683 S702 I703	L543-L685 HydrophobicContact CD1-CD2 4.36Å; L543-L685 HydrophobicContact CD2-CD1 4.16Å; F548-L685 HydrophobicContact CD2-CD2 3.99Å; R551-L685 HydrophobicContact CB-CB 4.14Å; R551-L685 HydrophobicContact CG-CB 3.77Å; Y553-L685 VanDerWaalsContact O-CA 3.27Å; Y553-L685 WeakPolarHBondContact O-CA 3.27Å; Y553-L685 WeakPolarHBondContact O-CB 3.33Å; A554-L685 HydrophobicContact CB-CB 4.42Å; A554-L685 HydrophobicContact CB-CD2 3.77Å; A554-L685 HydrophobicContact CB-CG 3.73Å; L683-L685 HydrophobicContact CD1-CD1 3.85Å; L683-L685 HydrophobicContact CD1-CG 4.45Å; L683-L685 HydrophobicContact CD2-CD1 4.26Å; L683-L685 HydrophobicContact CG-CD1 3.72Å; L685-S702 CarbonylContact O-C 3.37Å; L685-S702 VanDerWaalsContact O-CA 3.26Å; L685-S702 WeakPolarHBondContact O-CA 3.26Å; L685-I703 HydrophobicContact CB-CB 4.46Å; L685-I703 HydrophobicContact CD1-CB 4.13Å; L685-I703 HydrophobicContact CD1-CG2 4.11Å; L685-I703 PolarHBondContact N-O 3.49Å; L685-I703 PolarHBondContact O-N 2.03Å
686	G	89.5	Confident	86.7	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	-162.8	-176.8	0	0	0	0	0	112.7	R551 D552 Y553 E690 S702	R551-G686 WeakPolarHBondContact CB-O 3.47Å; R551-G686 WeakPolarHBondContact CG-O 3.05Å; D552-G686 PolarHBondContact N-O 2.89Å; Y553-G686 VanDerWaalsContact CE2-N 3.34Å; Y553-G686 PolarHBondContact O-N 3.26Å; G686-E690 WeakPolarHBondContact CA-OE2 3.41Å; G686-S702 WeakPolarHBondContact CA-OG 3.05Å
687	R	88.9	Confident	86.7	Confident	90 Å²	90	48 Å²	48	34%	0.34	26%	0.257	S	S	.	.			trans	-117.6	151.3	170.4	-72.1	-174.8	170.5	174.6	-8.1	111.7	D552 Y553 S689 E690 H701	D552-R687 WeakPolarHBondContact OD2-CA 3.42Å; D552-R687 WeakPolarHBondContact OD2-CB 3.38Å; D552-R687 VanDerWaalsContact OD2-CG 3.31Å; D552-R687 WeakPolarHBondContact OD2-CG 3.47Å; Y553-R687 WeakPolarHBondContact CE1-O 3.02Å; R687-S689 PolarHBondContact O-N 2.86Å; R687-E690 HydrophobicContact CB-CG 4.08Å; R687-E690 PolarHBondContact N-OE2 3.32Å; R687-E690 WeakPolarHBondContact O-CB 3.24Å; R687-E690 PolarHBondContact O-N 3.33Å; R687-E690 VanDerWaalsContact O-N 3.11Å; R687-H701 PolarHBondContact NH1-CD2 3.29Å; R687-H701 VanDerWaalsContact NH1-CD2 3.27Å
688	D	82.3	Confident	86.5	Confident	31 Å²	31	42.3 Å²	42.3	17%	0.166	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-69.9	-17.9	178.2	-76.9	-27.2	0	0	0	112	D552 Y553 N652	D552-D688 PolarHBondContact OD2-N 3.38Å; Y553-D688 WeakPolarHBondContact CD1-OD1 3.08Å; N652-D688 HydrophobicContact CB-CB 4.42Å; N652-D688 PolarHBondContact ND2-O 2.03Å
689	S	83.2	Confident	86.1	Confident	97 Å²	97	39.6 Å²	39.6	68%	0.678	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-85.2	-0.6	171.2	57.7	0	0	0	0	115.1	R687 A691	R687-S689 PolarHBondContact O-N 2.86Å; S689-A691 VanDerWaalsContact C-N 3.27Å
690	E	84	Confident	85.6	Confident	28 Å²	28	41.4 Å²	41.4	13%	0.131	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-83.4	1.5	174.2	-69.7	178.1	145.6	0	0	112.9	G686 R687 G699 H701 S702	G686-E690 WeakPolarHBondContact CA-OE2 3.41Å; R687-E690 HydrophobicContact CB-CG 4.08Å; R687-E690 PolarHBondContact N-OE2 3.32Å; R687-E690 WeakPolarHBondContact O-CB 3.24Å; R687-E690 PolarHBondContact O-N 3.33Å; R687-E690 VanDerWaalsContact O-N 3.11Å; E690-G699 VanDerWaalsContact CD-CA 3.49Å; E690-G699 WeakPolarHBondContact OE1-CA 3.39Å; E690-G699 PolarHBondContact OE1-N 2.98Å; E690-H701 WeakPolarHBondContact OE1-CA 3.38Å; E690-H701 WeakPolarHBondContact OE1-CB 3.48Å; E690-H701 PolarHBondContact OE1-N 2.92Å; E690-S702 PolarHBondContact OE1-N 3.43Å; E690-S702 WeakPolarHBondContact OE2-CB 3.19Å; E690-S702 PolarHBondContact OE2-N 3.12Å; E690-S702 PolarHBondContact OE2-OG 2.84Å
691	A	80.6	Confident	85	Confident	14 Å²	14	39.2 Å²	39.2	12%	0.116	24%	0.237	C	C	.	.	S	Bend	trans	-153.6	161.6	174.2	0	0	0	0	0	112.9	N652 I663 S689 Y695	N652-A691 PolarHBondContact ND2-O 3.46Å; I663-A691 HydrophobicContact CD1-CB 4.03Å; I663-A691 HydrophobicContact CG1-CB 4.26Å; S689-A691 VanDerWaalsContact C-N 3.27Å; A691-Y695 WeakPolarHBondContact CB-O 3.27Å
692	P	78.2	Confident	84.6	Confident	70 Å²	70	39.1 Å²	39.1	46%	0.455	24%	0.236	S	C	.	.			trans	-63.7	162	168.6	-19.3	32.8	0	0	0	112.9	I663 G694 Y695	I663-P692 HydrophobicContact CD1-CG 4.47Å; P692-G694 PolarHBondContact O-N 3.41Å; P692-Y695 HydrophobicContact CB-CD2 4.34Å; P692-Y695 PolarHBondContact O-N 3.45Å
693	P	71.8	Confident	84.4	Confident	89 Å²	89	40.1 Å²	40.1	58%	0.578	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.8	137.6	171.4	-23.6	31.3	0	0	0	112.6	N652 Y695	N652-P693 CarbonylContact O-C 3.58Å; N652-P693 WeakPolarHBondContact O-CA 3.06Å; P693-Y695 VanDerWaalsContact O-CD2 3.32Å; P693-Y695 WeakPolarHBondContact O-CD2 3.14Å
694	G	76.3	Confident	84.2	Confident	45 Å²	45	41.7 Å²	41.7	46%	0.464	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.8	-11	-177.7	0	0	0	0	0	115.7	N652 M660 P692	N652-G694 PolarHBondContact O-N 3.19Å; M660-G694 WeakPolarHBondContact CE-O 3.16Å; P692-G694 PolarHBondContact O-N 3.41Å
695	Y	86.4	Confident	84	Confident	76 Å²	76	42.5 Å²	42.5	30%	0.298	26%	0.255	S	S	.	.			trans	-120.7	153.3	-176	-59.6	-89.1	0	0	0	112.3	T653 T661 I663 A691 P692 P693	T653-Y695 VanDerWaalsContact CG2-O 3.24Å; T653-Y695 WeakPolarHBondContact CG2-O 3.04Å; T661-Y695 HydrophobicContact CG2-CD1 3.83Å; T661-Y695 HydrophobicContact CG2-CE1 3.91Å; I663-Y695 HydrophobicContact CG2-CD1 3.74Å; I663-Y695 HydrophobicContact CG2-CE1 4.46Å; I663-Y695 HydrophobicContact CG2-CG 4.25Å; A691-Y695 WeakPolarHBondContact CB-O 3.27Å; P692-Y695 HydrophobicContact CB-CD2 4.34Å; P692-Y695 PolarHBondContact O-N 3.45Å; P693-Y695 VanDerWaalsContact O-CD2 3.32Å; P693-Y695 WeakPolarHBondContact O-CD2 3.14Å
696	L	88.7	Confident	83.9	Confident	2 Å²	2	45.7 Å²	45.7	1%	0.01	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-96.3	149.8	159.6	-61.4	179.3	0	0	0	109.3	Y553 I555 L627 I629 T653 L655 M660 T661 W662 I663	Y553-L696 HydrophobicContact CE1-CD2 4.06Å; Y553-L696 HydrophobicContact CE2-CD2 4.31Å; I555-L696 HydrophobicContact CD1-CD1 3.57Å; L627-L696 HydrophobicContact CD1-CD1 4.38Å; I629-L696 HydrophobicContact CD1-CD1 4.38Å; T653-L696 HydrophobicContact CG2-CD2 4.13Å; L655-L696 HydrophobicContact CD1-CD2 4.44Å; L655-L696 HydrophobicContact CD2-CD1 4.13Å; L655-L696 HydrophobicContact CD2-CD2 4.05Å; L655-L696 HydrophobicContact CG-CD2 4.42Å; M660-L696 HydrophobicContact CE-CD2 4.25Å; M660-L696 HydrophobicContact CE-CG 3.9Å; M660-L696 HydrophobicContact CG-CD1 3.84Å; M660-L696 HydrophobicContact CG-CG 3.87Å; T661-L696 PolarHBondContact O-N 2.99Å; W662-L696 CarbonylContact C-O 3.49Å; W662-L696 WeakPolarHBondContact CA-O 3.45Å; I663-L696 WeakPolarHBondContact CG1-O 3.02Å; I663-L696 PolarHBondContact N-O 3.31Å
697	G	86.9	Confident	84	Confident	0 Å²	0	47 Å²	47	0%	0	28%	0.275	C	S	.	.			trans	-118.4	-178.6	-179.5	0	0	0	0	0	114.3	W662 I663	W662-G697 PolarHBondContact NE1-O 3.15Å; I663-G697 CarbonylContact O-C 3.57Å; I663-G697 WeakPolarHBondContact O-CA 3.31Å
698	I	84.8	Confident	84	Confident	20 Å²	20	49.7 Å²	49.7	10%	0.103	29%	0.289	C	S	.	.			trans	-125.4	122.3	154.4	-58.7	-173.8	0	0	0	107.1	W662 I663 I664 P674 V704	W662-I698 HydrophobicContact CH2-CD1 4.12Å; W662-I698 HydrophobicContact CZ2-CD1 3.48Å; W662-I698 VanDerWaalsContact CZ2-CD1 3.48Å; W662-I698 HydrophobicContact CZ2-CG1 3.68Å; I663-I698 PolarHBondContact O-N 3.2Å; I664-I698 HydrophobicContact CB-CD1 4.4Å; I664-I698 HydrophobicContact CD1-CD1 3.72Å; I664-I698 HydrophobicContact CG1-CD1 3.73Å; I664-I698 HydrophobicContact CG1-CG1 4.08Å; I664-I698 HydrophobicContact CG2-CD1 3.95Å; P674-I698 HydrophobicContact CG-CD1 3.6Å; I698-V704 HydrophobicContact CD1-CG2 4.08Å
699	G	80.1	Confident	83.9	Confident	22 Å²	22	54.5 Å²	54.5	23%	0.227	31%	0.311	C	S	.	.			trans	-128.3	-170.3	170.7	0	0	0	0	0	113	E690 H701 S702	E690-G699 VanDerWaalsContact CD-CA 3.49Å; E690-G699 WeakPolarHBondContact OE1-CA 3.39Å; E690-G699 PolarHBondContact OE1-N 2.98Å; G699-H701 PolarHBondContact O-N 2.98Å; G699-S702 PolarHBondContact O-N 3.43Å; G699-S702 VanDerWaalsContact O-N 3.13Å
700	P	76.6	Confident	84.1	Confident	129 Å²	129	54.8 Å²	54.8	84%	0.838	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-8.1	-174.9	-23.1	34.6	0	0	0	115.5
701	H	81	Confident	84.3	Confident	80 Å²	80	54.6 Å²	54.6	37%	0.37	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116	-11.7	179.6	-57.6	-26	0	0	0	112.8	R551 R687 E690 G699	R551-H701 PolarHBondContact NE-O 2.81Å; R551-H701 PolarHBondContact NH2-O 2.04Å; R687-H701 PolarHBondContact NH1-CD2 3.29Å; R687-H701 VanDerWaalsContact NH1-CD2 3.27Å; E690-H701 WeakPolarHBondContact OE1-CA 3.38Å; E690-H701 WeakPolarHBondContact OE1-CB 3.48Å; E690-H701 PolarHBondContact OE1-N 2.92Å; G699-H701 PolarHBondContact O-N 2.98Å
702	S	85.8	Confident	84.6	Confident	23 Å²	23	58.8 Å²	58.8	16%	0.161	32%	0.316	C	S	.	.			trans	-56	147	171.9	-96.9	0	0	0	0	113.6	L685 G686 E690 G699	L685-S702 CarbonylContact O-C 3.37Å; L685-S702 VanDerWaalsContact O-CA 3.26Å; L685-S702 WeakPolarHBondContact O-CA 3.26Å; G686-S702 WeakPolarHBondContact CA-OG 3.05Å; E690-S702 PolarHBondContact OE1-N 3.43Å; E690-S702 WeakPolarHBondContact OE2-CB 3.19Å; E690-S702 PolarHBondContact OE2-N 3.12Å; E690-S702 PolarHBondContact OE2-OG 2.84Å; G699-S702 PolarHBondContact O-N 3.43Å; G699-S702 VanDerWaalsContact O-N 3.13Å
703	I	89	Confident	85.1	Confident	27 Å²	27	63.7 Å²	63.7	14%	0.138	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	117.8	176	-63	178.9	0	0	0	107.1	L543 K547 I684 L685 I705	L543-I703 HydrophobicContact CD1-CD1 3.86Å; K547-I703 HydrophobicContact CB-CD1 4.46Å; K547-I703 HydrophobicContact CD-CD1 4.07Å; I684-I703 CarbonylContact C-O 3.52Å; I684-I703 WeakPolarHBondContact CA-O 3.05Å; L685-I703 HydrophobicContact CB-CB 4.46Å; L685-I703 HydrophobicContact CD1-CB 4.13Å; L685-I703 HydrophobicContact CD1-CG2 4.11Å; L685-I703 PolarHBondContact N-O 3.49Å; L685-I703 PolarHBondContact O-N 2.03Å; I703-I705 HydrophobicContact CG2-CD1 3.81Å; I703-I705 HydrophobicContact CG2-CG1 3.94Å
704	V	89.3	Confident	86	Confident	32 Å²	32	64.2 Å²	64.2	19%	0.194	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	123.6	178.3	180	0	0	0	0	109	W662 P674 I676 Y682 L683 I684 I698	W662-V704 HydrophobicContact CH2-CG1 3.95Å; W662-V704 HydrophobicContact CH2-CG2 4.06Å; W662-V704 HydrophobicContact CZ2-CG1 4.46Å; W662-V704 HydrophobicContact CZ2-CG2 3.72Å; P674-V704 HydrophobicContact CB-CB 3.99Å; P674-V704 HydrophobicContact CB-CG1 3.88Å; P674-V704 HydrophobicContact CG-CB 4.17Å; P674-V704 HydrophobicContact CG-CG1 4.11Å; P674-V704 HydrophobicContact CG-CG2 4.25Å; I676-V704 HydrophobicContact CD1-CG1 4.09Å; Y682-V704 HydrophobicContact CD1-CG1 3.65Å; Y682-V704 HydrophobicContact CE1-CG1 4.29Å; Y682-V704 HydrophobicContact CG-CG1 4.26Å; L683-V704 WeakPolarHBondContact O-CA 3.31Å; I684-V704 HydrophobicContact CG2-CG2 4.44Å; I698-V704 HydrophobicContact CD1-CG2 4.08Å
705	I	88.8	Confident	86.7	Confident	17 Å²	17	62.1 Å²	62.1	9%	0.087	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	128.4	-177	-59.3	174.4	0	0	0	108.9	T540 L543 Y682 L683 I703 W707 W711	T540-I705 HydrophobicContact CG2-CG1 4.44Å; T540-I705 HydrophobicContact CG2-CG2 4.06Å; L543-I705 HydrophobicContact CD2-CD1 4.21Å; Y682-I705 CarbonylContact C-O 3.39Å; Y682-I705 VanDerWaalsContact CA-O 3.27Å; Y682-I705 WeakPolarHBondContact CA-O 3.4Å; L683-I705 HydrophobicContact CB-CB 4.46Å; L683-I705 PolarHBondContact N-O 3.09Å; L683-I705 PolarHBondContact O-N 3.42Å; I703-I705 HydrophobicContact CG2-CD1 3.81Å; I703-I705 HydrophobicContact CG2-CG1 3.94Å; I705-W707 PolarHBondContact O-N 2.96Å; I705-W711 HydrophobicContact CD1-CH2 4.23Å; I705-W711 HydrophobicContact CD1-CZ2 4.02Å; I705-W711 HydrophobicContact CG2-CZ2 4.04Å
706	E	90.3	Very high	86.9	Confident	67 Å²	67	61.8 Å²	61.8	31%	0.313	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	132.5	173.7	-172.2	173.5	-179.7	0	0	110	R677 R680 Y682	R677-E706 IonicContact NH1-OE2 3.11Å; R677-E706 PolarHBondContact NH1-OE2 2.96Å; R680-E706 WeakPolarHBondContact CD-OE1 3.15Å; R680-E706 IonicContact CZ-OE1 3.5Å; R680-E706 IonicContact NE-OE1 2.69Å; R680-E706 IonicContact NH1-OE1 2.67Å; R680-E706 PolarHBondContact NH1-OE1 2.88Å; Y682-E706 HydrophobicContact CD1-CB 4.29Å; Y682-E706 HydrophobicContact CE1-CB 4Å; Y682-E706 HydrophobicContact CE1-CG 4.49Å
707	W	91	Very high	86.9	Confident	29 Å²	29	70.1 Å²	70.1	11%	0.11	33%	0.325	C	S	.	.			trans	-66.8	149.7	-169.7	-173.4	-98.4	0	0	0	113.2	M556 F633 S681 L683 I705 E709 W711 Y712	M556-W707 HydrophobicContact CB-CE3 4.25Å; M556-W707 HydrophobicContact CB-CH2 4.3Å; M556-W707 HydrophobicContact CB-CZ3 3.97Å; M556-W707 HydrophobicContact CE-CD2 3.84Å; M556-W707 HydrophobicContact CE-CG 3.95Å; M556-W707 HydrophobicContact CE-CZ2 4.06Å; M556-W707 HydrophobicContact CG-CD2 4.03Å; M556-W707 HydrophobicContact CG-CE3 3.86Å; M556-W707 HydrophobicContact CG-CH2 4.27Å; M556-W707 HydrophobicContact CG-CZ2 4.4Å; M556-W707 HydrophobicContact CG-CZ3 4Å; M556-W707 HydrophobicContact SD-CD2 4Å; M556-W707 HydrophobicContact SD-CE3 4.25Å; M556-W707 HydrophobicContact SD-CH2 3.88Å; M556-W707 HydrophobicContact SD-CZ2 3.57Å; M556-W707 VanDerWaalsContact SD-CZ2 3.57Å; M556-W707 HydrophobicContact SD-CZ3 4.21Å; F633-W707 HydrophobicContact CE2-CH2 4.1Å; F633-W707 HydrophobicContact CE2-CZ3 4.19Å; F633-W707 AromaticContact CZ-CH2 3.84Å; F633-W707 HydrophobicContact CZ-CH2 3.84Å; F633-W707 HydrophobicContact CZ-CZ3 4.39Å; S681-W707 WeakPolarHBondContact O-CB 3.37Å; S681-W707 PolarHBondContact O-N 2.91Å; L683-W707 HydrophobicContact CB-CE3 3.94Å; L683-W707 HydrophobicContact CB-CZ3 4.07Å; L683-W707 HydrophobicContact CD1-CZ3 4.47Å; I705-W707 PolarHBondContact O-N 2.96Å; W707-E709 PolarHBondContact NE1-OE1 2.82Å; W707-E709 VanDerWaalsContact NE1-OE1 3.14Å; W707-W711 HydrophobicContact CD2-CB 4.47Å; W707-W711 HydrophobicContact CE3-CB 4.07Å; W707-W711 HydrophobicContact CH2-CB 3.85Å; W707-W711 HydrophobicContact CZ2-CB 4.29Å; W707-W711 HydrophobicContact CZ3-CB 3.73Å; W707-Y712 HydrophobicContact CH2-CD2 4.36Å; W707-Y712 HydrophobicContact CZ2-CD2 4.16Å
708	K	88.4	Confident	87.1	Confident	146 Å²	146	71.1 Å²	71.1	64%	0.635	33%	0.33	S	S	*	.			trans	-150.2	143.8	173.6	-61.6	-168.2	176.7	-163.6	0	107.5	D710 W711	K708-D710 PolarHBondContact O-N 2.99Å; K708-D710 VanDerWaalsContact O-N 3.11Å; K708-W711 VanDerWaalsContact O-CB 3.31Å; K708-W711 WeakPolarHBondContact O-CB 3.44Å; K708-W711 PolarHBondContact O-N 3.15Å
709	E	81.9	Confident	87.2	Confident	132 Å²	132	73.5 Å²	73.5	62%	0.617	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-31.5	-171.9	-63.4	-47.3	118.4	0	0	114.9	W707 W711 Y712	W707-E709 PolarHBondContact NE1-OE1 2.82Å; W707-E709 VanDerWaalsContact NE1-OE1 3.14Å; E709-W711 PolarHBondContact O-N 2.85Å; E709-Y712 VanDerWaalsContact O-CB 3.32Å; E709-Y712 WeakPolarHBondContact O-CB 3.25Å; E709-Y712 PolarHBondContact O-N 2.79Å
710	D	85.4	Confident	87.6	Confident	103 Å²	103	82.6 Å²	82.6	55%	0.551	37%	0.368	S	S	*	.	H	α-helix	trans	-63.7	-22.8	176	-61.4	-50.4	0	0	0	113.9	K708 Y712 R713 R714	K708-D710 PolarHBondContact O-N 2.99Å; K708-D710 VanDerWaalsContact O-N 3.11Å; D710-Y712 PolarHBondContact O-N 2.04Å; D710-R713 PolarHBondContact O-N 3.12Å; D710-R713 IonicContact OD1-CZ 2.91Å; D710-R713 IonicContact OD1-NH2 2.61Å; D710-R713 PolarHBondContact OD1-NH2 3.37Å; D710-R714 WeakPolarHBondContact O-CB 3.32Å; D710-R714 PolarHBondContact O-N 2.63Å; D710-R714 VanDerWaalsContact O-N 3.09Å
711	W	88.2	Confident	88	Confident	24 Å²	24	83.1 Å²	83.1	9%	0.091	35%	0.353	C	S	.	.	H	α-helix	trans	-64	-28.4	171.3	-71.6	120.7	0	0	0	112.1	L543 L683 I705 W707 K708 E709 R714 M715	L543-W711 HydrophobicContact CB-CH2 3.97Å; L543-W711 HydrophobicContact CB-CZ3 4.06Å; L543-W711 HydrophobicContact CD2-CE3 4.35Å; L543-W711 HydrophobicContact CD2-CH2 4.12Å; L543-W711 HydrophobicContact CD2-CZ3 3.71Å; L543-W711 HydrophobicContact CG-CZ3 4.35Å; L683-W711 HydrophobicContact CD2-CB 4.45Å; L683-W711 HydrophobicContact CD2-CD2 3.96Å; L683-W711 HydrophobicContact CD2-CE3 3.89Å; L683-W711 HydrophobicContact CD2-CG 4.22Å; L683-W711 HydrophobicContact CD2-CZ3 4.46Å; I705-W711 HydrophobicContact CD1-CH2 4.23Å; I705-W711 HydrophobicContact CD1-CZ2 4.02Å; I705-W711 HydrophobicContact CG2-CZ2 4.04Å; W707-W711 HydrophobicContact CD2-CB 4.47Å; W707-W711 HydrophobicContact CE3-CB 4.07Å; W707-W711 HydrophobicContact CH2-CB 3.85Å; W707-W711 HydrophobicContact CZ2-CB 4.29Å; W707-W711 HydrophobicContact CZ3-CB 3.73Å; K708-W711 VanDerWaalsContact O-CB 3.31Å; K708-W711 WeakPolarHBondContact O-CB 3.44Å; K708-W711 PolarHBondContact O-N 3.15Å; E709-W711 PolarHBondContact O-N 2.85Å; W711-R714 HydrophobicContact CE3-CB 4.3Å; W711-R714 HydrophobicContact CE3-CG 4.26Å; W711-R714 HydrophobicContact CZ3-CG 4.32Å; W711-R714 PolarHBondContact O-N 3.33Å; W711-M715 HydrophobicContact CE3-CE 4.03Å; W711-M715 HydrophobicContact CZ3-CE 4.3Å; W711-M715 VanDerWaalsContact O-CB 3.3Å; W711-M715 WeakPolarHBondContact O-CB 3.28Å; W711-M715 VanDerWaalsContact O-CG 3.28Å; W711-M715 WeakPolarHBondContact O-CG 3.29Å; W711-M715 PolarHBondContact O-N 3Å
712	Y	88.1	Confident	87.8	Confident	101 Å²	101	80.9 Å²	80.9	40%	0.396	35%	0.349	S	S	.	.	H	α-helix	trans	-62	-51.9	176.7	-164.4	-107.8	0	0	0	111.3	F633 W707 E709 D710 R714 M715 K716	F633-Y712 HydrophobicContact CE1-CD2 4.09Å; F633-Y712 HydrophobicContact CE1-CE2 4.01Å; F633-Y712 HydrophobicContact CZ-CD2 4.03Å; F633-Y712 HydrophobicContact CZ-CE2 4.23Å; W707-Y712 HydrophobicContact CH2-CD2 4.36Å; W707-Y712 HydrophobicContact CZ2-CD2 4.16Å; E709-Y712 VanDerWaalsContact O-CB 3.32Å; E709-Y712 WeakPolarHBondContact O-CB 3.25Å; E709-Y712 PolarHBondContact O-N 2.79Å; D710-Y712 PolarHBondContact O-N 2.04Å; Y712-R714 VanDerWaalsContact C-N 3.31Å; Y712-R714 PolarHBondContact O-N 3.44Å; Y712-M715 PolarHBondContact O-N 3.32Å; Y712-K716 HydrophobicContact CD1-CG 4.43Å; Y712-K716 HydrophobicContact CE1-CG 4.14Å; Y712-K716 WeakPolarHBondContact O-CB 3.38Å; Y712-K716 WeakPolarHBondContact O-CG 3.29Å; Y712-K716 PolarHBondContact O-N 2.95Å
713	R	88.4	Confident	87	Confident	174 Å²	174	91.5 Å²	91.5	66%	0.657	39%	0.385	S	S	*	.	H	α-helix	trans	-63.4	-36.5	177.9	-69.9	-174.3	-75.4	-163.7	-0.7	111.6	D710 R717	D710-R713 PolarHBondContact O-N 3.12Å; D710-R713 IonicContact OD1-CZ 2.91Å; D710-R713 IonicContact OD1-NH2 2.61Å; D710-R713 PolarHBondContact OD1-NH2 3.37Å; R713-R717 WeakPolarHBondContact O-CB 3.23Å; R713-R717 PolarHBondContact O-N 3.26Å; R713-R717 VanDerWaalsContact O-N 3.08Å
714	R	90.7	Very high	86.1	Confident	100 Å²	100	94.7 Å²	94.7	38%	0.377	41%	0.406	S	S	.	.	H	α-helix	trans	-70.8	-44.7	177.3	-170.6	162.4	175.4	158	-1.1	113	L543 D710 W711 Y712 R717 F718	L543-R714 PolarHBondContact O-NH2 3.12Å; D710-R714 WeakPolarHBondContact O-CB 3.32Å; D710-R714 PolarHBondContact O-N 2.63Å; D710-R714 VanDerWaalsContact O-N 3.09Å; W711-R714 HydrophobicContact CE3-CB 4.3Å; W711-R714 HydrophobicContact CE3-CG 4.26Å; W711-R714 HydrophobicContact CZ3-CG 4.32Å; W711-R714 PolarHBondContact O-N 3.33Å; Y712-R714 VanDerWaalsContact C-N 3.31Å; Y712-R714 PolarHBondContact O-N 3.44Å; R714-R717 WeakPolarHBondContact O-CB 3.46Å; R714-R717 PolarHBondContact O-N 3.22Å; R714-F718 HydrophobicContact CG-CE1 4.44Å; R714-F718 HydrophobicContact CG-CE2 4.34Å; R714-F718 HydrophobicContact CG-CZ 4.13Å; R714-F718 PolarHBondContact O-N 2.78Å
715	M	91	Very high	85.1	Confident	0 Å²	0	95.1 Å²	95.1	0%	0	41%	0.41	C	S	.	.	H	α-helix	trans	-67.7	-38.7	176.8	-70.4	-57.9	102	0	0	111.9	L543 F548 F633 L683 W711 Y712 R717 F718 Q719	L543-M715 HydrophobicContact CD2-CE 3.7Å; L543-M715 HydrophobicContact CG-CE 4.46Å; F548-M715 HydrophobicContact CD2-SD 3.99Å; F548-M715 HydrophobicContact CE2-SD 4.03Å; F633-M715 HydrophobicContact CB-CB 4.41Å; F633-M715 HydrophobicContact CD1-CB 3.65Å; F633-M715 HydrophobicContact CD2-CB 3.91Å; F633-M715 HydrophobicContact CD2-CG 4.03Å; F633-M715 HydrophobicContact CE1-CB 3.75Å; F633-M715 HydrophobicContact CE2-CB 4Å; F633-M715 HydrophobicContact CE2-CG 4.06Å; F633-M715 HydrophobicContact CG-CB 3.74Å; F633-M715 HydrophobicContact CG-CG 4.32Å; F633-M715 HydrophobicContact CZ-CB 3.93Å; F633-M715 HydrophobicContact CZ-CG 4.38Å; L683-M715 HydrophobicContact CD1-CG 4.01Å; L683-M715 HydrophobicContact CD1-SD 3.87Å; L683-M715 HydrophobicContact CD2-CE 3.98Å; L683-M715 HydrophobicContact CD2-CG 4.06Å; L683-M715 HydrophobicContact CD2-SD 3.86Å; W711-M715 HydrophobicContact CE3-CE 4.03Å; W711-M715 HydrophobicContact CZ3-CE 4.3Å; W711-M715 VanDerWaalsContact O-CB 3.3Å; W711-M715 WeakPolarHBondContact O-CB 3.28Å; W711-M715 VanDerWaalsContact O-CG 3.28Å; W711-M715 WeakPolarHBondContact O-CG 3.29Å; W711-M715 PolarHBondContact O-N 3Å; Y712-M715 PolarHBondContact O-N 3.32Å; M715-R717 VanDerWaalsContact C-N 3.31Å; M715-R717 PolarHBondContact O-N 2.81Å; M715-F718 HydrophobicContact CE-CD2 3.49Å; M715-F718 VanDerWaalsContact CE-CD2 3.49Å; M715-F718 HydrophobicContact CE-CE2 3.73Å; M715-F718 HydrophobicContact CE-CG 4.46Å; M715-F718 PolarHBondContact O-N 3.2Å; M715-F718 HydrophobicContact SD-CD2 4.41Å; M715-Q719 WeakPolarHBondContact O-CB 3.45Å; M715-Q719 PolarHBondContact O-N 2.9Å
716	K	89.9	Confident	83.5	Confident	69 Å²	69	102.3 Å²	102.3	30%	0.3	47%	0.472	S	S	.	.	H	α-helix	trans	-63.7	-35	171.5	-73.6	-72.2	170.6	-167.4	0	112.6	Y712 R720	Y712-K716 HydrophobicContact CD1-CG 4.43Å; Y712-K716 HydrophobicContact CE1-CG 4.14Å; Y712-K716 WeakPolarHBondContact O-CB 3.38Å; Y712-K716 WeakPolarHBondContact O-CG 3.29Å; Y712-K716 PolarHBondContact O-N 2.95Å; K716-R720 WeakPolarHBondContact O-CG 3.35Å; K716-R720 PolarHBondContact O-N 2.85Å; K716-R720 VanDerWaalsContact O-N 3.08Å
717	R	89.5	Confident	83.2	Confident	177 Å²	177	104.1 Å²	104.1	67%	0.668	48%	0.48	S	S	*	.	H	α-helix	trans	-66.3	-39	172.6	-163.1	-176.8	-62.5	-158.2	1.1	112.2	R713 R714 M715 R721	R713-R717 WeakPolarHBondContact O-CB 3.23Å; R713-R717 PolarHBondContact O-N 3.26Å; R713-R717 VanDerWaalsContact O-N 3.08Å; R714-R717 WeakPolarHBondContact O-CB 3.46Å; R714-R717 PolarHBondContact O-N 3.22Å; M715-R717 VanDerWaalsContact C-N 3.31Å; M715-R717 PolarHBondContact O-N 2.81Å; R717-R721 WeakPolarHBondContact O-CG 3.29Å; R717-R721 PolarHBondContact O-N 2.66Å
718	F	91.4	Very high	82.8	Confident	21 Å²	21	108 Å²	108	9%	0.092	50%	0.499	C	S	.	.	H	α-helix	trans	-70.6	-41.7	174.2	-68.1	-6.9	0	0	0	112.3	L543 L545 F548 R714 M715 R720 R721 A722	L543-F718 HydrophobicContact CG-CE2 4.37Å; L545-F718 HydrophobicContact CB-CD1 4.4Å; L545-F718 HydrophobicContact CB-CE1 4.4Å; L545-F718 HydrophobicContact CD1-CB 4.02Å; L545-F718 HydrophobicContact CD1-CD1 4.13Å; L545-F718 HydrophobicContact CD1-CG 4.13Å; F548-F718 HydrophobicContact CB-CB 4.43Å; F548-F718 HydrophobicContact CB-CD2 3.84Å; F548-F718 HydrophobicContact CB-CG 4.44Å; F548-F718 HydrophobicContact CD1-CB 3.95Å; F548-F718 HydrophobicContact CD2-CB 3.95Å; F548-F718 HydrophobicContact CD2-CD2 4Å; F548-F718 HydrophobicContact CE1-CB 4.1Å; F548-F718 HydrophobicContact CE2-CB 4.09Å; F548-F718 HydrophobicContact CG-CB 3.87Å; F548-F718 HydrophobicContact CG-CD2 4.01Å; F548-F718 HydrophobicContact CG-CG 4.37Å; F548-F718 HydrophobicContact CZ-CB 4.16Å; R714-F718 HydrophobicContact CG-CE1 4.44Å; R714-F718 HydrophobicContact CG-CE2 4.34Å; R714-F718 HydrophobicContact CG-CZ 4.13Å; R714-F718 PolarHBondContact O-N 2.78Å; M715-F718 HydrophobicContact CE-CD2 3.49Å; M715-F718 VanDerWaalsContact CE-CD2 3.49Å; M715-F718 HydrophobicContact CE-CE2 3.73Å; M715-F718 HydrophobicContact CE-CG 4.46Å; M715-F718 PolarHBondContact O-N 3.2Å; M715-F718 HydrophobicContact SD-CD2 4.41Å; F718-R720 VanDerWaalsContact C-N 3.32Å; F718-R720 PolarHBondContact O-N 2.83Å; F718-R721 CarbonylContact O-C 3.55Å; F718-R721 PolarHBondContact O-N 3.24Å; F718-A722 PolarHBondContact O-N 3.4Å
719	Q	87.4	Confident	82.5	Confident	71 Å²	71	105.9 Å²	105.9	33%	0.332	49%	0.492	S	S	.	.	H	α-helix	trans	-57.4	-42.7	175.1	-174.8	172.9	31.3	0	0	111.9	F633 M715 A722	F633-Q719 WeakPolarHBondContact O-CG 3.45Å; F633-Q719 PolarHBondContact O-NE2 3.31Å; M715-Q719 WeakPolarHBondContact O-CB 3.45Å; M715-Q719 PolarHBondContact O-N 2.9Å; Q719-A722 WeakPolarHBondContact O-CB 3.43Å; Q719-A722 PolarHBondContact O-N 3.5Å
720	R	86.9	Confident	82.5	Confident	213 Å²	213	104.4 Å²	104.4	80%	0.804	48%	0.484	S	S	*	.	H	α-helix	trans	-65.3	-38.7	173.9	-71.6	178.7	-178.8	-172.7	0.2	112.8	K716 F718 A722	K716-R720 WeakPolarHBondContact O-CG 3.35Å; K716-R720 PolarHBondContact O-N 2.85Å; K716-R720 VanDerWaalsContact O-N 3.08Å; F718-R720 VanDerWaalsContact C-N 3.32Å; F718-R720 PolarHBondContact O-N 2.83Å; R720-A722 VanDerWaalsContact C-N 3.31Å
721	R	86.5	Confident	82.3	Confident	140 Å²	140	104.4 Å²	104.4	53%	0.528	48%	0.48	S	S	.	.	H	α-helix	trans	-81.7	-2.6	177.7	-70.8	-176	62.6	170.9	-1.8	114.2	L545 R717 F718 R723 T724	L545-R721 HydrophobicContact CD1-CB 4.07Å; L545-R721 HydrophobicContact CD2-CB 3.85Å; R717-R721 WeakPolarHBondContact O-CG 3.29Å; R717-R721 PolarHBondContact O-N 2.66Å; F718-R721 CarbonylContact O-C 3.55Å; F718-R721 PolarHBondContact O-N 3.24Å; R721-R723 PolarHBondContact O-N 2.99Å; R721-R723 VanDerWaalsContact O-N 3.1Å; R721-T724 PolarHBondContact O-N 3.09Å; R721-T724 PolarHBondContact O-OG1 3.38Å
722	A	77	Confident	81.9	Confident	33 Å²	33	109.8 Å²	109.8	27%	0.273	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-63	-19.3	-177.7	0	0	0	0	0	113.3	F548 F718 Q719 R720 T724 C725	F548-A722 HydrophobicContact CE1-CB 4.12Å; F718-A722 PolarHBondContact O-N 3.4Å; Q719-A722 WeakPolarHBondContact O-CB 3.43Å; Q719-A722 PolarHBondContact O-N 3.5Å; R720-A722 VanDerWaalsContact C-N 3.31Å; A722-T724 PolarHBondContact O-N 3.3Å; A722-C725 VanDerWaalsContact O-CB 3.24Å; A722-C725 WeakPolarHBondContact O-CB 3.07Å; A722-C725 PolarHBondContact O-N 3.17Å
723	R	68.7	Low	81.5	Confident	245 Å²	245	110.4 Å²	110.4	93%	0.925	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-62.2	-15	169.9	-65.2	-177.4	176.6	-178.7	-2.7	114	R721	R721-R723 PolarHBondContact O-N 2.99Å; R721-R723 VanDerWaalsContact O-N 3.1Å
724	T	69.2	Low	81	Confident	95 Å²	95	105.5 Å²	105.5	58%	0.583	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-103.5	20.4	172.2	81	0	0	0	0	112.3	R721 A722 A726	R721-T724 PolarHBondContact O-N 3.09Å; R721-T724 PolarHBondContact O-OG1 3.38Å; A722-T724 PolarHBondContact O-N 3.3Å; T724-A726 PolarHBondContact O-N 2.95Å
725	C	68.2	Low	80.2	Confident	40 Å²	40	106 Å²	106	27%	0.27	51%	0.514	S	S	.	.			trans	-89.8	75.8	167.1	-65.6	0	0	0	0	109.1	C549 A722	C549-C725 WeakPolarHBondContact CA-SG 3.25Å; C549-C725 HydrophobicContact CB-CB 3.57Å; C549-C725 WeakPolarHBondContact CB-SG 3.41Å; C549-C725 VanDerWaalsContact SG-CA 3.57Å; C549-C725 WeakPolarHBondContact SG-CB 3.37Å; C549-C725 CovalentContact SG-SG 2.04Å; C549-C725 PolarHBondContact SG-SG 3.06Å; A722-C725 VanDerWaalsContact O-CB 3.24Å; A722-C725 WeakPolarHBondContact O-CB 3.07Å; A722-C725 PolarHBondContact O-N 3.17Å
726	A	56.2	Low	79.2	Confident	168 Å²	168	115.6 Å²	115.6	100%	1.388	56%	0.56	S	S	*	*			trans	-79.7	0	155.2	0	0	0	0	0	109.5	T724	T724-A726 PolarHBondContact O-N 2.95Å

Retrieved 726 of 726 residues in 448.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).