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Netrin-A

Netrins control guidance of CNS commissural axons at the midline and peripheral motor axons to their target muscles.

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

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.4	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 116.2 ms (Link to these results)

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