A0A096N2V4_PAPAN Loading...

Lysyl oxidase homolog

Mediates the post-translational oxidative deamination of lysine residues on target proteins leading to the formation of deaminated lysine (allysine).

AlphaFold DB (A0A2I3ND59), UniProt , Accession A0A096N2V4, Species PAPAN (Papio anubis, Olive baboon), Gene LOXL2, Length 774 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.7	Very low	31.6	Very low	232 Å²	232	155.2 Å²	155.2	100%	1.143	82%	0.815	S	S	*	*				0	87.6	0	-77.1	166.8	170	0	0	106.5
2	E	30.2	Very low	31.4	Very low	177 Å²	177	151.5 Å²	151.5	83%	0.827	81%	0.81	S	S	*	*				89.4	94.5	106.8	-77.4	-172.6	152.9	0	0	110.9
3	R	27.2	Very low	31.3	Very low	227 Å²	227	151.8 Å²	151.8	86%	0.857	81%	0.81	S	S	*	*				78.6	104.2	92.7	-82.1	-167.8	-177.9	-164.3	2.7	114.2
4	L	29.4	Very low	31.2	Very low	157 Å²	157	146.9 Å²	146.9	82%	0.822	80%	0.801	S	S	*	*				51.1	165.5	123.7	-74.4	161.5	0	0	0	121
5	P	48.7	Very low	31.3	Very low	117 Å²	117	145.8 Å²	145.8	76%	0.76	80%	0.801	S	S	*	*			cis	-141.3	177.9	-11.9	27.3	-2.6	0	0	0	117.2
6	C	29.5	Very low	31.5	Very low	117 Å²	117	146.8 Å²	146.8	79%	0.791	80%	0.803	S	S	*	*			trans	-50.7	148.5	163.2	-163	0	0	0	0	117.6
7	S	32.3	Very low	31.3	Very low	104 Å²	104	143.2 Å²	143.2	73%	0.727	80%	0.798	S	S	*	*				172.2	120.6	121.8	103.8	0	0	0	0	109.7
8	R	33	Very low	31.3	Very low	219 Å²	219	144.1 Å²	144.1	83%	0.826	80%	0.8	S	S	*	*				86	132	86.6	-84.1	-159.7	178.7	-154.8	0.7	116.5
9	L	30.2	Very low	31.3	Very low	145 Å²	145	145.6 Å²	145.6	76%	0.759	81%	0.806	S	S	*	*			trans	103.5	134.8	139.4	-79.9	147.6	0	0	0	121.6
10	C	26.7	Very low	31.3	Very low	113 Å²	113	143.8 Å²	143.8	76%	0.764	80%	0.803	S	S	*	*			trans	74.9	152.1	158.6	-74.7	0	0	0	0	119.2
11	S	29.1	Very low	31.4	Very low	99 Å²	99	142.6 Å²	142.6	69%	0.692	80%	0.802	S	S	*	*			cis	171.9	141.9	-23.2	-86.1	0	0	0	0	105.1
12	C	29.4	Very low	31.4	Very low	111 Å²	111	139.9 Å²	139.9	75%	0.75	79%	0.791	S	S	*	*			trans	82.4	119.5	151.1	-73	0	0	0	0	123.2
13	L	29.3	Very low	31.6	Very low	156 Å²	156	136.6 Å²	136.6	82%	0.817	79%	0.787	S	S	*	*			trans	79.4	102.9	130.2	-65	163.4	0	0	0	118.4
14	A	30	Very low	32.1	Very low	83 Å²	83	133.8 Å²	133.8	69%	0.686	79%	0.789	S	S	*	*				77.7	114.8	88.3	0	0	0	0	0	111.6
15	V	33.1	Very low	32.3	Very low	130 Å²	130	130.9 Å²	130.9	79%	0.788	79%	0.787	S	S	*	*				-164.8	110.6	88	162.7	0	0	0	0	106.9
16	L	33.9	Very low	31.5	Very low	161 Å²	161	134.4 Å²	134.4	84%	0.843	79%	0.793	S	S	*	*				66.6	115.2	95.9	-83.5	160.9	0	0	0	116.3
17	A	29.2	Very low	31.6	Very low	86 Å²	86	140 Å²	140	71%	0.711	80%	0.8	S	S	*	*				-172.2	121.8	124.5	0	0	0	0	0	112.7
18	L	30.5	Very low	31.7	Very low	160 Å²	160	142.1 Å²	142.1	84%	0.838	80%	0.803	S	S	*	*	S	Bend	trans	76.3	87.1	146.4	-57.9	161.5	0	0	0	119.2
19	L	31.4	Very low	31.7	Very low	173 Å²	173	137.2 Å²	137.2	91%	0.906	80%	0.802	S	S	*	*				168.9	137	108.3	-84.9	162.2	0	0	0	110.2
20	S	30.8	Very low	31.5	Very low	109 Å²	109	141.9 Å²	141.9	76%	0.762	81%	0.81	S	S	*	*			trans	-70.7	148.9	-161.4	-46.1	0	0	0	0	115.8
21	P	33.8	Very low	31.8	Very low	119 Å²	119	141.7 Å²	141.7	77%	0.773	81%	0.807	S	S	*	*			trans	-97.1	119.7	166	34.5	-24.1	0	0	0	110.5
22	L	30.8	Very low	31.9	Very low	174 Å²	174	145 Å²	145	91%	0.911	81%	0.811	S	S	*	*			trans	-116.2	91.8	161	-85.1	163.9	0	0	0	107.2
23	S	35.2	Very low	31.7	Very low	108 Å²	108	150 Å²	150	76%	0.755	82%	0.815	S	S	*	*			trans	-133.9	73.1	164.5	55.1	0	0	0	0	109.4
24	L	37.9	Very low	31.8	Very low	169 Å²	169	146.8 Å²	146.8	89%	0.885	80%	0.804	S	S	*	*	S	Bend	trans	-156.4	131.9	156.5	-105.1	137.4	0	0	0	106.9
25	A	34.6	Very low	32	Very low	95 Å²	95	149 Å²	149	79%	0.785	80%	0.8	S	S	*	*			trans	81.6	94	-176.8	0	0	0	0	0	116
26	Q	30.9	Very low	31.8	Very low	191 Å²	191	151.8 Å²	151.8	89%	0.893	80%	0.798	S	S	*	*			trans	-161	71.2	142.2	-106	170.2	9.2	0	0	108.3
27	Y	32.4	Very low	31.7	Very low	236 Å²	236	151.3 Å²	151.3	93%	0.925	79%	0.789	S	S	*	*			trans	-85.1	93.3	145.7	-99.4	-88.4	0	0	0	104.7
28	D	33.8	Very low	32.1	Very low	148 Å²	148	154.5 Å²	154.5	79%	0.791	79%	0.79	S	S	*	*			trans	-171.2	96.9	162.8	-94.5	-28.3	0	0	0	107.6
29	S	32.8	Very low	32.1	Very low	115 Å²	115	153.5 Å²	153.5	80%	0.804	78%	0.781	S	S	*	*			trans	165.8	79.3	150.6	43.6	0	0	0	0	110.9
30	W	26.9	Very low	32.4	Very low	244 Å²	244	150.3 Å²	150.3	92%	0.924	77%	0.77	S	S	*	*			trans	-122.2	138.2	150.4	-95.8	59.3	0	0	0	109	H32	W30-H32 PolarHBondContact O-N 2.94Å
31	P	32.5	Very low	32.8	Very low	108 Å²	108	148.1 Å²	148.1	70%	0.701	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-70.9	119.5	-175	27.7	-31.4	0	0	0	110.4	Y33	P31-Y33 PolarHBondContact O-N 3.17Å
32	H	30.2	Very low	33.1	Very low	170 Å²	170	147.9 Å²	147.9	79%	0.787	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-50.7	118.8	162.1	-107.3	33	0	0	0	109.7	W30	W30-H32 PolarHBondContact O-N 2.94Å
33	Y	26.8	Very low	33.8	Very low	214 Å²	214	147.5 Å²	147.5	84%	0.839	75%	0.751	S	S	*	*	P	Polyproline II helix	trans	-74.2	143.3	151.3	-88.3	-88.1	0	0	0	108.3	P31 E35	P31-Y33 PolarHBondContact O-N 3.17Å; Y33-E35 PolarHBondContact O-N 3.36Å
34	P	30.9	Very low	34.5	Very low	90 Å²	90	145.7 Å²	145.7	58%	0.584	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-71.7	120.2	-164.6	5	6.5	0	0	0	111	Y36	P34-Y36 HydrophobicContact CB-CD2 3.92Å; P34-Y36 HydrophobicContact CB-CE2 4.14Å; P34-Y36 HydrophobicContact CG-CD2 4.26Å; P34-Y36 HydrophobicContact CG-CE2 4.18Å; P34-Y36 PolarHBondContact O-N 3.21Å
35	E	33.8	Very low	35.1	Very low	128 Å²	128	144.3 Å²	144.3	60%	0.598	72%	0.717	S	S	*	*			trans	-54	92.6	146.5	-83.6	177.8	146.2	0	0	107.4	Y33 F37	Y33-E35 PolarHBondContact O-N 3.36Å; E35-F37 PolarHBondContact O-N 3.21Å
36	Y	29.3	Very low	36.2	Very low	190 Å²	190	143.2 Å²	143.2	75%	0.745	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.4	96.1	163.8	-101.2	-90.1	0	0	0	107.4	P34	P34-Y36 HydrophobicContact CB-CD2 3.92Å; P34-Y36 HydrophobicContact CB-CE2 4.14Å; P34-Y36 HydrophobicContact CG-CD2 4.26Å; P34-Y36 HydrophobicContact CG-CE2 4.18Å; P34-Y36 PolarHBondContact O-N 3.21Å
37	F	31.9	Very low	37.7	Very low	150 Å²	150	137 Å²	137	66%	0.658	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	72.1	71.8	169.7	-55.7	-75	0	0	0	118.2	E35 Q39	E35-F37 PolarHBondContact O-N 3.21Å; F37-Q39 HydrophobicContact CD1-CG 4.36Å
38	Q	36	Very low	39	Very low	154 Å²	154	134.7 Å²	134.7	72%	0.72	67%	0.669	S	S	*	*			trans	-95.7	74.6	131.8	-77.8	-172.2	13.1	0	0	108.8
39	Q	31.4	Very low	40.6	Very low	139 Å²	139	130.2 Å²	130.2	65%	0.65	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-54.7	139.8	143.4	-77.3	177.2	-17.4	0	0	106.2	F37 A41	F37-Q39 HydrophobicContact CD1-CG 4.36Å; Q39-A41 PolarHBondContact O-N 3.44Å
40	P	37.1	Very low	42.4	Very low	105 Å²	105	128.6 Å²	128.6	68%	0.682	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-49.3	121.1	170.4	20	-29.7	0	0	0	106.6
41	A	39.6	Very low	44.3	Very low	63 Å²	63	122 Å²	122	52%	0.521	64%	0.637	S	S	.	*	P	Polyproline II helix	trans	-46.5	121.2	-178.7	0	0	0	0	0	107.1	Q39 E43	Q39-A41 PolarHBondContact O-N 3.44Å; A41-E43 PolarHBondContact O-N 3.17Å
42	P	40.1	Very low	46.4	Very low	115 Å²	115	124.7 Å²	124.7	75%	0.747	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-52.7	130.5	-177.4	18.4	-29.4	0	0	0	107.3	Y44	P42-Y44 PolarHBondContact O-N 2.91Å
43	E	44.9	Very low	48.9	Very low	166 Å²	166	118.2 Å²	118.2	78%	0.776	62%	0.618	S	S	*	*			trans	-61	109.4	179.7	-156.1	167.2	-139.1	0	0	106.4	A41 H45	A41-E43 PolarHBondContact O-N 3.17Å; E43-H45 PolarHBondContact O-N 3.06Å; E43-H45 PolarHBondContact O-ND1 3.5Å; E43-H45 IonicContact OE2-CE1 3.99Å
44	Y	50.6	Low	51.6	Low	69 Å²	69	109.3 Å²	109.3	27%	0.271	59%	0.588	S	S	.	*			trans	-63.8	113.5	-174.1	177.8	-102.9	0	0	0	109.1	P42 Q46 R98 I163 F166	P42-Y44 PolarHBondContact O-N 2.91Å; Y44-Q46 HydrophobicContact CD1-CG 4.28Å; Y44-Q46 HydrophobicContact CE1-CB 4.3Å; Y44-Q46 HydrophobicContact CE1-CG 3.45Å; Y44-Q46 VanDerWaalsContact CE1-CG 3.45Å; Y44-R98 WeakPolarHBondContact OH-CG 3.13Å; Y44-I163 HydrophobicContact CD1-CG2 3.69Å; Y44-I163 HydrophobicContact CD2-CG2 3.7Å; Y44-I163 HydrophobicContact CE1-CD1 4.47Å; Y44-I163 HydrophobicContact CE1-CG2 4.1Å; Y44-I163 HydrophobicContact CE2-CD1 4.26Å; Y44-I163 HydrophobicContact CE2-CG2 4.15Å; Y44-I163 HydrophobicContact CG-CG2 3.45Å; Y44-I163 VanDerWaalsContact CG-CG2 3.45Å; Y44-F166 HydrophobicContact CD1-CD2 4.06Å; Y44-F166 AromaticContact CE1-CD2 3.52Å; Y44-F166 HydrophobicContact CE1-CD2 3.52Å; Y44-F166 AromaticContact CE1-CE2 3.89Å; Y44-F166 HydrophobicContact CE1-CE2 3.89Å
45	H	51.3	Low	54.1	Low	140 Å²	140	110.9 Å²	110.9	65%	0.648	59%	0.586	S	S	*	*			trans	-99.6	112.3	171.8	-69.3	25.7	0	0	0	106	E43	E43-H45 PolarHBondContact O-N 3.06Å; E43-H45 PolarHBondContact O-ND1 3.5Å; E43-H45 IonicContact OE2-CE1 3.99Å
46	Q	57.4	Low	56.6	Low	72 Å²	72	105.5 Å²	105.5	34%	0.336	56%	0.561	S	S	.	*	P	Polyproline II helix	trans	-54	131.8	171.3	-86.5	-175.3	-30.9	0	0	108.4	Y44 Q48 F166 K167	Y44-Q46 HydrophobicContact CD1-CG 4.28Å; Y44-Q46 HydrophobicContact CE1-CB 4.3Å; Y44-Q46 HydrophobicContact CE1-CG 3.45Å; Y44-Q46 VanDerWaalsContact CE1-CG 3.45Å; Q46-Q48 PolarHBondContact O-N 2.97Å; Q46-F166 HydrophobicContact CG-CE2 4.2Å; Q46-K167 VanDerWaalsContact CD-O 3.3Å; Q46-K167 PolarHBondContact NE2-O 2.85Å; Q46-K167 PolarHBondContact OE1-O 3.1Å; Q46-K167 VanDerWaalsContact OE1-O 3.13Å
47	P	61.7	Low	59.2	Low	60 Å²	60	98.1 Å²	98.1	39%	0.39	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-57.8	128.9	173	-10.6	21.5	0	0	0	108.2	A49 A133	P47-A49 PolarHBondContact O-N 3.06Å; P47-A133 HydrophobicContact CB-CB 3.92Å; P47-A133 HydrophobicContact CG-CB 4.39Å; P47-A133 WeakPolarHBondContact O-CB 3.4Å
48	Q	60.8	Low	62	Low	189 Å²	189	91.4 Å²	91.4	88%	0.883	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-69.8	122	-179.9	-76.3	-176.5	-23.1	0	0	109.3	Q46	Q46-Q48 PolarHBondContact O-N 2.97Å
49	A	65.5	Low	64.3	Low	54 Å²	54	87.1 Å²	87.1	45%	0.446	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-62.6	137	172.9	0	0	0	0	0	109.6	P47 A133 T134	P47-A49 PolarHBondContact O-N 3.06Å; A49-A133 HydrophobicContact CB-CB 4.45Å; A49-T134 HydrophobicContact CB-CG2 4.24Å
50	P	71.3	Confident	67.1	Low	81 Å²	81	81 Å²	81	53%	0.526	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-56.3	143.8	172.7	-18.9	27.5	0	0	0	110.8	N52 V53	P50-N52 PolarHBondContact O-N 3.5Å; P50-V53 HydrophobicContact CB-CG2 4.04Å; P50-V53 HydrophobicContact CG-CG2 3.93Å; P50-V53 PolarHBondContact O-N 2.7Å
51	A	66.7	Low	69.4	Low	106 Å²	106	76.7 Å²	76.7	88%	0.876	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-17.8	-177.3	0	0	0	0	0	114.6
52	N	77.7	Confident	71.5	Confident	164 Å²	164	75.5 Å²	75.5	88%	0.877	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-1.9	-179.8	-61.7	-12.7	0	0	0	113.6	P50	P50-N52 PolarHBondContact O-N 3.5Å
53	V	82.4	Confident	73.5	Confident	33 Å²	33	75.4 Å²	75.4	20%	0.2	41%	0.41	C	S	.	.	S	Bend	trans	-89.4	136.6	179.1	177.2	0	0	0	0	109.9	P50 K55 T134 A136 A137	P50-V53 HydrophobicContact CB-CG2 4.04Å; P50-V53 HydrophobicContact CG-CG2 3.93Å; P50-V53 PolarHBondContact O-N 2.7Å; V53-K55 PolarHBondContact O-N 3.25Å; V53-T134 HydrophobicContact CG1-CG2 3.86Å; V53-A136 HydrophobicContact CG1-CB 3.67Å; V53-A137 HydrophobicContact CG1-CB 4.15Å; V53-A137 HydrophobicContact CG2-CB 4.28Å
54	A	83.7	Confident	75.1	Confident	27 Å²	27	70.4 Å²	70.4	22%	0.223	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-58.5	136.8	177.3	0	0	0	0	0	111.3	Y76 A136 W143	A54-Y76 HydrophobicContact CB-CD2 4.3Å; A54-Y76 HydrophobicContact CB-CE2 3.73Å; A54-A136 HydrophobicContact CB-CB 4.39Å; A54-A136 WeakPolarHBondContact O-CB 3.37Å; A54-W143 HydrophobicContact CB-CZ2 3.74Å
55	K	83.3	Confident	76.5	Confident	123 Å²	123	71.2 Å²	71.2	54%	0.535	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-82	120.1	172.1	-67	-173.6	176.1	-171.7	0	109.3	V53 S171 L172	V53-K55 PolarHBondContact O-N 3.25Å; K55-S171 PolarHBondContact NZ-OG 2.88Å; K55-L172 HydrophobicContact CB-CD1 3.99Å; K55-L172 HydrophobicContact CB-CD2 4.25Å; K55-L172 HydrophobicContact CB-CG 4.3Å
56	I	86.3	Confident	77.7	Confident	16 Å²	16	66.5 Å²	66.5	8%	0.082	37%	0.366	C	S	.	.			trans	-124.1	168.2	179.6	58.7	164.7	0	0	0	111.7	L58 V74 Y76 T134 L135 A136 W143	I56-L58 HydrophobicContact CD1-CD2 4.09Å; I56-V74 HydrophobicContact CB-CG1 3.9Å; I56-V74 HydrophobicContact CD1-CG1 3.94Å; I56-V74 HydrophobicContact CG2-CG1 3.95Å; I56-Y76 HydrophobicContact CG2-CD2 3.99Å; I56-T134 WeakPolarHBondContact CD1-OG1 3.45Å; I56-T134 WeakPolarHBondContact CG1-OG1 3.16Å; I56-L135 HydrophobicContact CD1-CB 3.88Å; I56-A136 HydrophobicContact CD1-CB 3.75Å; I56-A136 HydrophobicContact CG1-CB 3.89Å; I56-A136 HydrophobicContact CG2-CB 4.17Å; I56-W143 HydrophobicContact CD1-CH2 4.4Å; I56-W143 HydrophobicContact CG2-CH2 3.38Å; I56-W143 HydrophobicContact CG2-CZ2 3.96Å; I56-W143 HydrophobicContact CG2-CZ3 3.99Å
57	Q	83.9	Confident	78.6	Confident	35 Å²	35	65.1 Å²	65.1	16%	0.164	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	145.8	164.9	-60	178.4	23.9	0	0	109.7	V74 Y75 W80 L172	Q57-V74 CarbonylContact O-C 3.56Å; Q57-V74 WeakPolarHBondContact O-CA 3.29Å; Q57-Y75 PolarHBondContact N-O 3.17Å; Q57-Y75 PolarHBondContact O-N 3.09Å; Q57-W80 HydrophobicContact CB-CH2 4.42Å; Q57-L172 HydrophobicContact CG-CD1 4.06Å
58	L	89.1	Confident	79.7	Confident	9 Å²	9	62.2 Å²	62.2	5%	0.047	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	148.7	177.5	-61	-174.1	0	0	0	111.5	I56 E73 V74 V96 E99 L100 L135	I56-L58 HydrophobicContact CD1-CD2 4.09Å; L58-E73 WeakPolarHBondContact CA-O 3.22Å; L58-V74 HydrophobicContact CD2-CB 4.15Å; L58-V74 HydrophobicContact CD2-CG1 4.1Å; L58-V74 HydrophobicContact CD2-CG2 3.63Å; L58-V96 HydrophobicContact CD1-CB 4.34Å; L58-V96 HydrophobicContact CD1-CG1 4.1Å; L58-V96 HydrophobicContact CD1-CG2 4.29Å; L58-E99 HydrophobicContact CD1-CB 4.06Å; L58-E99 HydrophobicContact CD1-CG 3.91Å; L58-E99 VanDerWaalsContact CD1-OE2 3.24Å; L58-E99 WeakPolarHBondContact CD1-OE2 3.49Å; L58-E99 HydrophobicContact CG-CG 4.36Å; L58-L100 HydrophobicContact CB-CD2 3.72Å; L58-L100 HydrophobicContact CB-CG 4.12Å; L58-L100 WeakPolarHBondContact O-CD2 3.48Å; L58-L135 HydrophobicContact CD1-CB 4.31Å; L58-L135 HydrophobicContact CD1-CD2 4.48Å; L58-L135 HydrophobicContact CD2-CD2 4.12Å
59	R	85.9	Confident	81.2	Confident	63 Å²	63	53.8 Å²	53.8	24%	0.238	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	156.6	162.4	74.1	-175.9	-178.5	-172.2	-0.4	110.9	E73 W80	R59-E73 HydrophobicContact CG-CB 3.94Å; R59-E73 IonicContact CZ-OE2 3.28Å; R59-E73 PolarHBondContact N-O 3.5Å; R59-E73 IonicContact NE-OE2 3.31Å; R59-E73 PolarHBondContact NE-OE2 3.14Å; R59-E73 IonicContact NH2-OE2 3.57Å; R59-E73 PolarHBondContact NH2-OE2 2.03Å; R59-E73 PolarHBondContact O-N 3.47Å; R59-W80 HydrophobicContact CB-CH2 3.83Å; R59-W80 HydrophobicContact CB-CZ3 4.06Å; R59-W80 HydrophobicContact CG-CE3 4.01Å; R59-W80 HydrophobicContact CG-CH2 3.65Å; R59-W80 HydrophobicContact CG-CZ2 4.27Å; R59-W80 HydrophobicContact CG-CZ3 3.51Å
60	L	88.9	Confident	82.3	Confident	11 Å²	11	51.2 Å²	51.2	6%	0.058	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	128.4	166.5	-55.4	-179.7	0	0	0	108.8	K64 R71 V72 L100 V156	L60-K64 WeakPolarHBondContact O-CE 3.39Å; L60-K64 PolarHBondContact O-NZ 3.37Å; L60-R71 WeakPolarHBondContact CA-O 3.41Å; L60-V72 HydrophobicContact CD2-CG2 4.41Å; L60-L100 HydrophobicContact CD1-CD1 4.04Å; L60-L100 HydrophobicContact CD2-CD1 3.65Å; L60-L100 HydrophobicContact CG-CD1 3.63Å; L60-V156 HydrophobicContact CD1-CG2 4.38Å; L60-V156 HydrophobicContact CD2-CG2 3.39Å
61	A	86.4	Confident	83.5	Confident	15 Å²	15	48.4 Å²	48.4	12%	0.124	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	-174.8	-177.4	0	0	0	0	0	111.5	G70 R71 E73	A61-G70 CarbonylContact O-C 3.45Å; A61-G70 WeakPolarHBondContact O-CA 2.99Å; A61-R71 PolarHBondContact N-O 3.37Å; A61-R71 PolarHBondContact O-N 2.79Å; A61-E73 VanDerWaalsContact CB-CD 3.43Å; A61-E73 HydrophobicContact CB-CG 4.06Å; A61-E73 WeakPolarHBondContact CB-OE1 3.38Å
62	G	84.4	Confident	84.9	Confident	38 Å²	38	43.4 Å²	43.4	39%	0.392	22%	0.218	S	C	.	.	S	Bend	trans	85.7	-161.5	177.6	0	0	0	0	0	115	K64 Y114	G62-K64 VanDerWaalsContact C-N 3.3Å; G62-K64 PolarHBondContact O-N 3.08Å; G62-Y114 CarbonylContact C-O 3.47Å; G62-Y114 VanDerWaalsContact CA-O 3.26Å; G62-Y114 WeakPolarHBondContact CA-O 3.08Å
63	Q	80.2	Confident	85.7	Confident	112 Å²	112	36.2 Å²	36.2	52%	0.523	18%	0.179	S	C	.	.	S	Bend	trans	-76.4	73.4	-176.5	-65	177.3	-0.6	0	0	111.5	R65 Y114	Q63-R65 PolarHBondContact O-N 3.14Å; Q63-Y114 PolarHBondContact N-O 3.24Å; Q63-Y114 WeakPolarHBondContact O-CD1 3.46Å
64	K	79.1	Confident	86.2	Confident	62 Å²	62	34.7 Å²	34.7	27%	0.27	17%	0.169	S	C	.	.			trans	-66.4	129	-174.5	-61.4	-175.7	-175.5	-179.1	0	112.4	L60 G62	L60-K64 WeakPolarHBondContact O-CE 3.39Å; L60-K64 PolarHBondContact O-NZ 3.37Å; G62-K64 VanDerWaalsContact C-N 3.3Å; G62-K64 PolarHBondContact O-N 3.08Å
65	R	80	Confident	86.4	Confident	85 Å²	85	35.5 Å²	35.5	32%	0.321	17%	0.167	S	C	.	.	S	Bend	trans	-92.8	-21.3	169.1	-46.1	174.2	174.9	164.1	-5.8	112.5	Q63 E69 E374 A375	Q63-R65 PolarHBondContact O-N 3.14Å; R65-E69 WeakPolarHBondContact CB-OE1 3.28Å; R65-E374 WeakPolarHBondContact O-CA 3.4Å; R65-A375 PolarHBondContact O-N 3.42Å
66	K	77.3	Confident	86.6	Confident	41 Å²	41	32.8 Å²	32.8	18%	0.178	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-137.6	162.7	170.1	-57.7	179.4	-178.2	-170.5	0	110.7	S68 E69 E374	K66-S68 PolarHBondContact O-N 2.02Å; K66-E69 HydrophobicContact CB-CG 3.9Å; K66-E374 HydrophobicContact CD-CG 4.41Å; K66-E374 WeakPolarHBondContact CE-OE1 3.14Å; K66-E374 WeakPolarHBondContact CE-OE2 3.4Å; K66-E374 HydrophobicContact CG-CB 4.2Å; K66-E374 HydrophobicContact CG-CG 4.02Å; K66-E374 IonicContact NZ-OE1 3.17Å; K66-E374 PolarHBondContact NZ-OE1 2.95Å; K66-E374 IonicContact NZ-OE2 3.12Å; K66-E374 PolarHBondContact NZ-OE2 3.21Å
67	H	75.7	Confident	86.6	Confident	43 Å²	43	38.9 Å²	38.9	20%	0.199	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-16.4	173.5	75.2	-74.8	0	0	0	113.8	Y102 D160 H271	H67-Y102 PolarHBondContact O-OH 3.41Å; H67-D160 IonicContact CE1-OD1 2.79Å; H67-H271 HydrophobicContact CB-CB 4.4Å
68	S	85.7	Confident	86.6	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	11.1	-175.9	45	0	0	0	0	114.3	K66 Y102 C158 D160	K66-S68 PolarHBondContact O-N 2.02Å; S68-Y102 WeakPolarHBondContact CA-OH 3.31Å; S68-C158 VanDerWaalsContact O-CB 3.29Å; S68-C158 WeakPolarHBondContact O-CB 3.06Å; S68-C158 PolarHBondContact O-N 2.88Å; S68-D160 PolarHBondContact OG-OD1 2.89Å
69	E	90.7	Very high	86.6	Confident	12 Å²	12	44.1 Å²	44.1	6%	0.056	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	164.5	-179.5	67.3	-175	-124.9	0	0	112.3	R65 K66 Y114 V156 V157	R65-E69 WeakPolarHBondContact CB-OE1 3.28Å; K66-E69 HydrophobicContact CB-CG 3.9Å; E69-Y114 HydrophobicContact CG-CE1 4.01Å; E69-Y114 VanDerWaalsContact OE1-CE1 3.23Å; E69-Y114 WeakPolarHBondContact OE1-CE1 3.42Å; E69-Y114 PolarHBondContact OE1-OH 2.7Å; E69-V156 VanDerWaalsContact CA-O 3.22Å; E69-V156 WeakPolarHBondContact CA-O 3Å; E69-V156 WeakPolarHBondContact CB-O 3.44Å; E69-V157 HydrophobicContact CB-CB 4.33Å; E69-V157 HydrophobicContact CB-CG1 4.33Å; E69-V157 HydrophobicContact CB-CG2 4.11Å
70	G	90.6	Very high	86.9	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	153.1	-179.8	174.2	0	0	0	0	0	113	A61 G155 V156	A61-G70 CarbonylContact O-C 3.45Å; A61-G70 WeakPolarHBondContact O-CA 2.99Å; G70-G155 WeakPolarHBondContact O-CA 3.35Å; G70-V156 PolarHBondContact N-O 3.31Å; G70-V156 VanDerWaalsContact N-O 3.12Å; G70-V156 PolarHBondContact O-N 2.97Å
71	R	95.1	Very high	87.2	Confident	22 Å²	22	42.8 Å²	42.8	8%	0.083	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	135.4	171.6	-176.9	176.9	59.2	-111.4	3.5	110.1	L60 A61 E73 Y114 G115 K116 D153 V154	L60-R71 WeakPolarHBondContact CA-O 3.41Å; A61-R71 PolarHBondContact N-O 3.37Å; A61-R71 PolarHBondContact O-N 2.79Å; R71-E73 IonicContact CZ-OE1 3.6Å; R71-E73 IonicContact NE-OE1 2.69Å; R71-E73 PolarHBondContact NE-OE1 3.22Å; R71-E73 IonicContact NH2-OE1 3.44Å; R71-E73 PolarHBondContact NH2-OE1 2.88Å; R71-E73 PolarHBondContact O-N 3.35Å; R71-Y114 PolarHBondContact NH1-O 3.14Å; R71-G115 VanDerWaalsContact NH1-C 3.3Å; R71-G115 PolarHBondContact NH1-O 2.79Å; R71-K116 PolarHBondContact NH1-O 2.86Å; R71-D153 HydrophobicContact CG-CB 4.12Å; R71-V154 WeakPolarHBondContact CA-O 2.98Å
72	V	95.7	Very high	87.7	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	121.2	176.9	-175.4	0	0	0	0	109.2	L60 V83 V96 L135 V154 V156	L60-V72 HydrophobicContact CD2-CG2 4.41Å; V72-V83 HydrophobicContact CB-CG2 4.45Å; V72-V83 HydrophobicContact CG1-CG2 3.99Å; V72-V96 HydrophobicContact CG1-CG1 4.21Å; V72-V96 HydrophobicContact CG1-CG2 4.21Å; V72-V96 HydrophobicContact CG2-CG1 4.05Å; V72-V96 HydrophobicContact CG2-CG2 4.45Å; V72-L135 HydrophobicContact CG1-CD2 4.45Å; V72-V154 HydrophobicContact CB-CG1 4Å; V72-V154 HydrophobicContact CG2-CG1 3.95Å; V72-V154 PolarHBondContact N-O 3.04Å; V72-V156 HydrophobicContact CG2-CB 4.26Å; V72-V156 HydrophobicContact CG2-CG1 3.62Å; V72-V156 HydrophobicContact CG2-CG2 3.78Å
73	E	94.8	Very high	88.4	Confident	14 Å²	14	40.3 Å²	40.3	7%	0.065	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	138.7	170.7	-67	-176.9	-179.3	0	0	110	L58 R59 A61 R71 W80 G81 T82	L58-E73 WeakPolarHBondContact CA-O 3.22Å; R59-E73 HydrophobicContact CG-CB 3.94Å; R59-E73 IonicContact CZ-OE2 3.28Å; R59-E73 PolarHBondContact N-O 3.5Å; R59-E73 IonicContact NE-OE2 3.31Å; R59-E73 PolarHBondContact NE-OE2 3.14Å; R59-E73 IonicContact NH2-OE2 3.57Å; R59-E73 PolarHBondContact NH2-OE2 2.03Å; R59-E73 PolarHBondContact O-N 3.47Å; A61-E73 VanDerWaalsContact CB-CD 3.43Å; A61-E73 HydrophobicContact CB-CG 4.06Å; A61-E73 WeakPolarHBondContact CB-OE1 3.38Å; R71-E73 IonicContact CZ-OE1 3.6Å; R71-E73 IonicContact NE-OE1 2.69Å; R71-E73 PolarHBondContact NE-OE1 3.22Å; R71-E73 IonicContact NH2-OE1 3.44Å; R71-E73 PolarHBondContact NH2-OE1 2.88Å; R71-E73 PolarHBondContact O-N 3.35Å; E73-W80 HydrophobicContact CB-CE3 3.8Å; E73-W80 HydrophobicContact CB-CZ3 4.22Å; E73-W80 WeakPolarHBondContact O-CZ3 3.37Å; E73-G81 CarbonylContact C-O 3.49Å; E73-G81 WeakPolarHBondContact CA-O 3.47Å; E73-G81 WeakPolarHBondContact CB-O 3.42Å; E73-T82 HydrophobicContact CG-CG2 4.26Å
74	V	93.1	Very high	89.2	Confident	0 Å²	0	35 Å²	35	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	130.3	-178.6	-170.5	0	0	0	0	108.6	I56 Q57 L58 W80 G81 V83 W122 L123 L135 W143	I56-V74 HydrophobicContact CB-CG1 3.9Å; I56-V74 HydrophobicContact CD1-CG1 3.94Å; I56-V74 HydrophobicContact CG2-CG1 3.95Å; Q57-V74 CarbonylContact O-C 3.56Å; Q57-V74 WeakPolarHBondContact O-CA 3.29Å; L58-V74 HydrophobicContact CD2-CB 4.15Å; L58-V74 HydrophobicContact CD2-CG1 4.1Å; L58-V74 HydrophobicContact CD2-CG2 3.63Å; V74-W80 VanDerWaalsContact C-CE3 3.49Å; V74-G81 PolarHBondContact N-O 2.79Å; V74-G81 PolarHBondContact O-N 2.65Å; V74-V83 HydrophobicContact CG2-CG2 3.46Å; V74-V83 VanDerWaalsContact CG2-CG2 3.46Å; V74-W122 PolarHBondContact O-NE1 2.83Å; V74-L123 HydrophobicContact CG2-CD1 4.29Å; V74-L135 HydrophobicContact CG2-CD2 4.21Å; V74-W143 HydrophobicContact CG1-CH2 4.39Å; V74-W143 HydrophobicContact CG1-CZ3 4.04Å
75	Y	88.1	Confident	90	Very high	45 Å²	45	32.8 Å²	32.8	18%	0.176	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	114.1	169.4	-169.1	-98.5	0	0	0	109.4	Q57 G78 W80 I176	Q57-Y75 PolarHBondContact N-O 3.17Å; Q57-Y75 PolarHBondContact O-N 3.09Å; Y75-G78 VanDerWaalsContact CE2-C 3.49Å; Y75-G78 VanDerWaalsContact CZ-C 3.41Å; Y75-G78 VanDerWaalsContact OH-CA 3.29Å; Y75-G78 WeakPolarHBondContact OH-CA 3.47Å; Y75-G78 PolarHBondContact OH-O 3.46Å; Y75-W80 AromaticContact CD2-CD1 3.6Å; Y75-W80 AromaticContact CD2-CD2 3.84Å; Y75-W80 HydrophobicContact CD2-CD2 3.84Å; Y75-W80 AromaticContact CD2-CE2 3.69Å; Y75-W80 AromaticContact CD2-CG 3.8Å; Y75-W80 HydrophobicContact CD2-CG 3.8Å; Y75-W80 HydrophobicContact CD2-CZ2 4.33Å; Y75-W80 AromaticContact CD2-NE1 3.51Å; Y75-W80 HydrophobicContact CG-CD2 4.37Å; Y75-W80 HydrophobicContact CG-CZ2 4.39Å; Y75-I176 HydrophobicContact CD1-CD1 3.66Å; Y75-I176 HydrophobicContact CD2-CD1 4.32Å; Y75-I176 HydrophobicContact CE1-CD1 3.18Å; Y75-I176 HydrophobicContact CE1-CG1 4.23Å; Y75-I176 HydrophobicContact CE2-CD1 3.89Å; Y75-I176 HydrophobicContact CE2-CG1 4.14Å; Y75-I176 HydrophobicContact CG-CD1 4.18Å; Y75-I176 WeakPolarHBondContact OH-CD1 3.07Å
76	Y	88.6	Confident	90.7	Very high	66 Å²	66	31.7 Å²	31.7	26%	0.259	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	141.8	179	-180	-105.2	0	0	0	109.2	A54 I56 G78 Q79 W122 W143	A54-Y76 HydrophobicContact CB-CD2 4.3Å; A54-Y76 HydrophobicContact CB-CE2 3.73Å; I56-Y76 HydrophobicContact CG2-CD2 3.99Å; Y76-G78 VanDerWaalsContact C-N 3.28Å; Y76-G78 PolarHBondContact O-N 2.98Å; Y76-G78 VanDerWaalsContact O-N 3.14Å; Y76-Q79 PolarHBondContact N-O 3.37Å; Y76-Q79 VanDerWaalsContact N-O 3.11Å; Y76-Q79 PolarHBondContact O-N 3.22Å; Y76-Q79 VanDerWaalsContact O-N 3.08Å; Y76-W122 HydrophobicContact CD1-CD2 4.18Å; Y76-W122 AromaticContact CD1-CE3 3.95Å; Y76-W122 HydrophobicContact CD1-CE3 3.95Å; Y76-W122 HydrophobicContact CD1-CH2 4.21Å; Y76-W122 HydrophobicContact CD1-CZ2 4.38Å; Y76-W122 AromaticContact CD1-CZ3 3.98Å; Y76-W122 HydrophobicContact CD1-CZ3 3.98Å; Y76-W122 WeakPolarHBondContact O-CZ2 3.04Å; Y76-W143 HydrophobicContact CD1-CB 4.21Å; Y76-W143 AromaticContact CD1-CD2 3.86Å; Y76-W143 HydrophobicContact CD1-CD2 3.86Å; Y76-W143 AromaticContact CD1-CE3 3.58Å; Y76-W143 HydrophobicContact CD1-CE3 3.58Å; Y76-W143 HydrophobicContact CD1-CG 4.13Å; Y76-W143 HydrophobicContact CD1-CZ3 4.36Å; Y76-W143 AromaticContact CD2-CD2 4Å; Y76-W143 HydrophobicContact CD2-CD2 4Å; Y76-W143 AromaticContact CD2-CE3 3.92Å; Y76-W143 HydrophobicContact CD2-CE3 3.92Å; Y76-W143 HydrophobicContact CD2-CH2 4.36Å; Y76-W143 HydrophobicContact CD2-CZ2 4.37Å; Y76-W143 HydrophobicContact CD2-CZ3 4.1Å; Y76-W143 HydrophobicContact CE1-CB 3.6Å; Y76-W143 AromaticContact CE1-CD2 3.73Å; Y76-W143 HydrophobicContact CE1-CD2 3.73Å; Y76-W143 AromaticContact CE1-CE3 3.96Å; Y76-W143 HydrophobicContact CE1-CE3 3.96Å; Y76-W143 AromaticContact CE1-CG 3.55Å; Y76-W143 HydrophobicContact CE1-CG 3.55Å; Y76-W143 AromaticContact CE2-CD2 3.88Å; Y76-W143 HydrophobicContact CE2-CD2 3.88Å; Y76-W143 AromaticContact CE2-CE2 3.93Å; Y76-W143 HydrophobicContact CE2-CE3 4.27Å; Y76-W143 HydrophobicContact CE2-CG 4.2Å; Y76-W143 HydrophobicContact CE2-CZ2 4.45Å; Y76-W143 AromaticContact CG-CD2 3.98Å; Y76-W143 HydrophobicContact CG-CD2 3.98Å; Y76-W143 AromaticContact CG-CE3 3.54Å; Y76-W143 HydrophobicContact CG-CE3 3.54Å; Y76-W143 AromaticContact CG-CZ3 3.88Å; Y76-W143 HydrophobicContact CG-CZ3 3.88Å; Y76-W143 AromaticContact CZ-CD1 3.82Å; Y76-W143 AromaticContact CZ-CD2 3.72Å; Y76-W143 AromaticContact CZ-CG 3.58Å
77	D	86.4	Confident	91.4	Very high	143 Å²	143	34.2 Å²	34.2	77%	0.765	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.8	42	179.4	-159	29.1	0	0	0	115.6	Q79	D77-Q79 VanDerWaalsContact C-N 3.33Å; D77-Q79 PolarHBondContact O-N 2.75Å
78	G	82.7	Confident	92.4	Very high	55 Å²	55	32.6 Å²	32.6	57%	0.567	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.4	1.2	175.8	0	0	0	0	0	115.5	Y75 Y76	Y75-G78 VanDerWaalsContact CE2-C 3.49Å; Y75-G78 VanDerWaalsContact CZ-C 3.41Å; Y75-G78 VanDerWaalsContact OH-CA 3.29Å; Y75-G78 WeakPolarHBondContact OH-CA 3.47Å; Y75-G78 PolarHBondContact OH-O 3.46Å; Y76-G78 VanDerWaalsContact C-N 3.28Å; Y76-G78 PolarHBondContact O-N 2.98Å; Y76-G78 VanDerWaalsContact O-N 3.14Å
79	Q	89.6	Confident	92.9	Very high	99 Å²	99	34.1 Å²	34.1	46%	0.463	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	143.3	-176	176.1	169.1	8.9	0	0	112.7	Y76 D77 P120 W122	Y76-Q79 PolarHBondContact N-O 3.37Å; Y76-Q79 VanDerWaalsContact N-O 3.11Å; Y76-Q79 PolarHBondContact O-N 3.22Å; Y76-Q79 VanDerWaalsContact O-N 3.08Å; D77-Q79 VanDerWaalsContact C-N 3.33Å; D77-Q79 PolarHBondContact O-N 2.75Å; Q79-P120 HydrophobicContact CG-CG 4.2Å; Q79-W122 HydrophobicContact CB-CZ2 4.27Å; Q79-W122 PolarHBondContact O-NE1 3.19Å
80	W	91.9	Very high	93.2	Very high	45 Å²	45	36.2 Å²	36.2	17%	0.17	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	136.9	168	-74.8	99.6	0	0	0	110.5	Q57 R59 E73 V74 Y75	Q57-W80 HydrophobicContact CB-CH2 4.42Å; R59-W80 HydrophobicContact CB-CH2 3.83Å; R59-W80 HydrophobicContact CB-CZ3 4.06Å; R59-W80 HydrophobicContact CG-CE3 4.01Å; R59-W80 HydrophobicContact CG-CH2 3.65Å; R59-W80 HydrophobicContact CG-CZ2 4.27Å; R59-W80 HydrophobicContact CG-CZ3 3.51Å; E73-W80 HydrophobicContact CB-CE3 3.8Å; E73-W80 HydrophobicContact CB-CZ3 4.22Å; E73-W80 WeakPolarHBondContact O-CZ3 3.37Å; V74-W80 VanDerWaalsContact C-CE3 3.49Å; Y75-W80 AromaticContact CD2-CD1 3.6Å; Y75-W80 AromaticContact CD2-CD2 3.84Å; Y75-W80 HydrophobicContact CD2-CD2 3.84Å; Y75-W80 AromaticContact CD2-CE2 3.69Å; Y75-W80 AromaticContact CD2-CG 3.8Å; Y75-W80 HydrophobicContact CD2-CG 3.8Å; Y75-W80 HydrophobicContact CD2-CZ2 4.33Å; Y75-W80 AromaticContact CD2-NE1 3.51Å; Y75-W80 HydrophobicContact CG-CD2 4.37Å; Y75-W80 HydrophobicContact CG-CZ2 4.39Å
81	G	95.4	Very high	93.5	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	-179	172.3	0	0	0	0	0	111.3	E73 V74 P120 W122	E73-G81 CarbonylContact C-O 3.49Å; E73-G81 WeakPolarHBondContact CA-O 3.47Å; E73-G81 WeakPolarHBondContact CB-O 3.42Å; V74-G81 PolarHBondContact N-O 2.79Å; V74-G81 PolarHBondContact O-N 2.65Å; G81-P120 CarbonylContact C-O 3.4Å; G81-P120 WeakPolarHBondContact CA-O 3.07Å; G81-W122 VanDerWaalsContact CA-CD1 3.41Å
82	T	97.1	Very high	93.6	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.006	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	-176.1	-174.6	56.7	0	0	0	0	113.1	E73 P120 I121 W122 H150 D153	E73-T82 HydrophobicContact CG-CG2 4.26Å; T82-P120 PolarHBondContact N-O 3.22Å; T82-I121 WeakPolarHBondContact OG1-CG1 3.28Å; T82-W122 PolarHBondContact O-N 3.01Å; T82-H150 PolarHBondContact OG1-CE1 2.88Å; T82-H150 PolarHBondContact OG1-ND1 3.14Å; T82-D153 WeakPolarHBondContact CB-OD1 3.26Å; T82-D153 HydrophobicContact CG2-CB 4.43Å; T82-D153 PolarHBondContact OG1-OD1 2.86Å
83	V	97.7	Very high	93.6	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	133.4	177.2	-179.6	0	0	0	0	107.8	V72 V74 F88 L123 L135 D153 V154	V72-V83 HydrophobicContact CB-CG2 4.45Å; V72-V83 HydrophobicContact CG1-CG2 3.99Å; V74-V83 HydrophobicContact CG2-CG2 3.46Å; V74-V83 VanDerWaalsContact CG2-CG2 3.46Å; V83-F88 HydrophobicContact CG1-CD2 4.14Å; V83-F88 HydrophobicContact CG1-CE2 4.17Å; V83-L123 WeakPolarHBondContact CA-O 3.5Å; V83-L123 HydrophobicContact CG1-CB 4.02Å; V83-L123 HydrophobicContact CG2-CB 4.23Å; V83-L123 HydrophobicContact CG2-CD1 4.35Å; V83-L135 HydrophobicContact CG2-CD2 4.16Å; V83-D153 WeakPolarHBondContact O-CA 3.41Å; V83-V154 HydrophobicContact CB-CG1 3.75Å; V83-V154 HydrophobicContact CG1-CG1 3.92Å; V83-V154 PolarHBondContact O-N 2.87Å
84	C	97.2	Very high	93.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-72.3	151.9	176.2	-170.4	0	0	0	0	111.7	I121 L123 D124 C148 E152	C84-I121 HydrophobicContact CB-CG2 4.14Å; C84-L123 PolarHBondContact N-O 3.01Å; C84-D124 HydrophobicContact CB-CB 4.21Å; C84-D124 WeakPolarHBondContact CB-OD1 3.22Å; C84-C148 HydrophobicContact CB-CB 3.71Å; C84-C148 WeakPolarHBondContact CB-SG 3.5Å; C84-C148 WeakPolarHBondContact SG-CB 3.07Å; C84-C148 CovalentContact SG-SG 2.02Å; C84-C148 PolarHBondContact SG-SG 3.08Å; C84-E152 CarbonylContact C-O 3.49Å; C84-E152 WeakPolarHBondContact CA-O 3.4Å
85	D	95.9	Very high	93.7	Very high	17 Å²	17	41.6 Å²	41.6	9%	0.091	22%	0.218	C	C	.	.			trans	-83.8	-12.3	177	62	0.6	0	0	0	113.9	D87 F88 W108 A110 S111 E152 V154	D85-D87 PolarHBondContact O-N 2.71Å; D85-F88 VanDerWaalsContact O-CB 3.26Å; D85-F88 WeakPolarHBondContact O-CB 3.48Å; D85-F88 PolarHBondContact O-N 3.32Å; D85-W108 HydrophobicContact CB-CZ3 4.22Å; D85-A110 HydrophobicContact CB-CB 4.06Å; D85-A110 WeakPolarHBondContact OD2-CA 3.24Å; D85-A110 VanDerWaalsContact OD2-CB 3.29Å; D85-A110 WeakPolarHBondContact OD2-CB 3.42Å; D85-S111 PolarHBondContact OD2-N 2.93Å; D85-E152 WeakPolarHBondContact CB-O 3.34Å; D85-E152 PolarHBondContact N-O 2.73Å; D85-E152 VanDerWaalsContact OD1-CB 3.29Å; D85-E152 WeakPolarHBondContact OD1-CB 3.35Å; D85-V154 HydrophobicContact CB-CB 4.22Å; D85-V154 HydrophobicContact CB-CG2 4.24Å
86	D	95.5	Very high	94.1	Very high	62 Å²	62	39.4 Å²	39.4	33%	0.332	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	126.7	174.1	-81.4	-7.8	0	0	0	111.8	F88 N125	D86-F88 PolarHBondContact O-N 3.16Å; D86-N125 WeakPolarHBondContact CB-OD1 3.47Å; D86-N125 WeakPolarHBondContact O-CA 3.34Å
87	D	92.9	Very high	94.3	Very high	94 Å²	94	36.3 Å²	36.3	50%	0.503	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	11.4	-172.7	-74.4	-37.9	0	0	0	115.8	D85 N125 H127	D85-D87 PolarHBondContact O-N 2.71Å; D87-N125 HydrophobicContact CB-CB 4.5Å; D87-H127 VanDerWaalsContact CB-CE1 3.41Å; D87-H127 WeakPolarHBondContact CB-CE1 3.36Å; D87-H127 VanDerWaalsContact CG-CE1 3.49Å; D87-H127 IonicContact OD2-CE1 3.15Å; D87-H127 PolarHBondContact OD2-CE1 2.69Å; D87-H127 IonicContact OD2-NE2 2.86Å
88	F	96.6	Very high	94.5	Very high	8 Å²	8	31.6 Å²	31.6	4%	0.035	17%	0.169	C	C	.	.			trans	-67	139.5	174.5	-163.7	-84	0	0	0	109.5	V83 D85 D86 A92 A93 V96 W108 L126 V154 V156	V83-F88 HydrophobicContact CG1-CD2 4.14Å; V83-F88 HydrophobicContact CG1-CE2 4.17Å; D85-F88 VanDerWaalsContact O-CB 3.26Å; D85-F88 WeakPolarHBondContact O-CB 3.48Å; D85-F88 PolarHBondContact O-N 3.32Å; D86-F88 PolarHBondContact O-N 3.16Å; F88-A92 HydrophobicContact CD1-CB 4.26Å; F88-A92 HydrophobicContact CD2-CB 3.97Å; F88-A92 HydrophobicContact CE1-CB 4Å; F88-A92 HydrophobicContact CE2-CB 3.67Å; F88-A92 HydrophobicContact CG-CB 4.26Å; F88-A92 HydrophobicContact CZ-CB 3.68Å; F88-A93 HydrophobicContact CE1-CB 3.99Å; F88-A93 HydrophobicContact CZ-CB 4.46Å; F88-V96 HydrophobicContact CZ-CG2 4.38Å; F88-W108 HydrophobicContact CB-CH2 4.48Å; F88-W108 HydrophobicContact CB-CZ3 4.23Å; F88-W108 HydrophobicContact CD1-CB 4.32Å; F88-W108 AromaticContact CD1-CD2 3.72Å; F88-W108 HydrophobicContact CD1-CD2 3.72Å; F88-W108 AromaticContact CD1-CE3 3.69Å; F88-W108 HydrophobicContact CD1-CE3 3.69Å; F88-W108 HydrophobicContact CD1-CG 4.01Å; F88-W108 HydrophobicContact CD1-CZ3 4.24Å; F88-W108 HydrophobicContact CE1-CB 3.94Å; F88-W108 HydrophobicContact CE1-CD2 4.26Å; F88-W108 HydrophobicContact CE1-CE3 4.39Å; F88-W108 HydrophobicContact CE1-CG 4.07Å; F88-W108 HydrophobicContact CG-CE3 4.49Å; F88-W108 WeakPolarHBondContact O-CH2 3.45Å; F88-W108 WeakPolarHBondContact O-CZ2 3.38Å; F88-L126 HydrophobicContact CD2-CB 4.42Å; F88-L126 HydrophobicContact CD2-CD2 3.99Å; F88-L126 HydrophobicContact CE2-CD2 3.85Å; F88-V154 HydrophobicContact CB-CG2 4.23Å; F88-V154 HydrophobicContact CD1-CG2 3.57Å; F88-V154 HydrophobicContact CD2-CB 4.36Å; F88-V154 HydrophobicContact CD2-CG1 4Å; F88-V154 HydrophobicContact CD2-CG2 4.01Å; F88-V154 HydrophobicContact CE1-CG2 3.79Å; F88-V154 HydrophobicContact CE2-CG1 3.8Å; F88-V154 HydrophobicContact CE2-CG2 4.22Å; F88-V154 HydrophobicContact CG-CB 4.44Å; F88-V154 HydrophobicContact CG-CG2 3.68Å; F88-V154 HydrophobicContact CZ-CG1 4.15Å; F88-V154 HydrophobicContact CZ-CG2 4.12Å; F88-V156 HydrophobicContact CE1-CG1 4.15Å; F88-V156 HydrophobicContact CZ-CG1 4.01Å
89	S	95.3	Very high	94.7	Very high	32 Å²	32	30 Å²	30	22%	0.224	15%	0.147	C	C	.	.			trans	-135.6	168.9	-176.6	72	0	0	0	0	112.4	H91 A92 A93	S89-H91 PolarHBondContact O-N 2.84Å; S89-H91 VanDerWaalsContact O-N 3.11Å; S89-H91 PolarHBondContact OG-N 3.28Å; S89-A92 WeakPolarHBondContact O-CB 2.99Å; S89-A92 PolarHBondContact O-N 3.37Å; S89-A93 PolarHBondContact O-N 3.5Å
90	I	96.4	Very high	94.5	Very high	57 Å²	57	25.5 Å²	25.5	29%	0.292	13%	0.126	S	C	.	.	H	α-helix	trans	-57.5	-27.5	174.3	-167	63.6	0	0	0	112.1	A93 H94 A105	I90-A93 HydrophobicContact CD1-CB 4.21Å; I90-A93 WeakPolarHBondContact O-CB 3.31Å; I90-A93 PolarHBondContact O-N 2.82Å; I90-H94 PolarHBondContact O-CD2 3.45Å; I90-H94 PolarHBondContact O-N 2.61Å; I90-A105 HydrophobicContact CD1-CB 4.11Å
91	H	96.8	Very high	94.1	Very high	92 Å²	92	23.5 Å²	23.5	43%	0.426	12%	0.119	S	C	.	.	H	α-helix	trans	-65.5	-44.4	175	-58.7	92.7	0	0	0	111.4	S89 A93 H94 V95 C128 T129	S89-H91 PolarHBondContact O-N 2.84Å; S89-H91 VanDerWaalsContact O-N 3.11Å; S89-H91 PolarHBondContact OG-N 3.28Å; H91-A93 VanDerWaalsContact C-N 3.32Å; H91-A93 PolarHBondContact O-N 3.44Å; H91-H94 PolarHBondContact O-N 3.23Å; H91-V95 WeakPolarHBondContact O-CG2 3.4Å; H91-V95 PolarHBondContact O-N 3.01Å; H91-V95 VanDerWaalsContact O-N 3.14Å; H91-C128 HydrophobicContact CB-CB 4.48Å; H91-C128 VanDerWaalsContact CB-O 3.26Å; H91-C128 WeakPolarHBondContact CB-O 3.43Å; H91-T129 PolarHBondContact CD2-O 3.45Å
92	A	97	Very high	93.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62.7	-41.4	173	0	0	0	0	0	111.6	F88 S89 H94 V95 V96 L126 C128	F88-A92 HydrophobicContact CD1-CB 4.26Å; F88-A92 HydrophobicContact CD2-CB 3.97Å; F88-A92 HydrophobicContact CE1-CB 4Å; F88-A92 HydrophobicContact CE2-CB 3.67Å; F88-A92 HydrophobicContact CG-CB 4.26Å; F88-A92 HydrophobicContact CZ-CB 3.68Å; S89-A92 WeakPolarHBondContact O-CB 2.99Å; S89-A92 PolarHBondContact O-N 3.37Å; A92-H94 VanDerWaalsContact C-N 3.32Å; A92-H94 PolarHBondContact O-N 3.29Å; A92-V95 WeakPolarHBondContact O-CB 3.08Å; A92-V95 PolarHBondContact O-N 3.4Å; A92-V95 VanDerWaalsContact O-N 3.09Å; A92-V96 WeakPolarHBondContact O-CG2 3.37Å; A92-V96 PolarHBondContact O-N 2.77Å; A92-L126 HydrophobicContact CB-CD2 3.69Å; A92-C128 VanDerWaalsContact CA-SG 3.53Å; A92-C128 HydrophobicContact CB-CB 4.04Å; A92-C128 VanDerWaalsContact CB-SG 3.54Å
93	A	96.6	Very high	93.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-58.6	-42.1	174.1	0	0	0	0	0	112.2	F88 S89 I90 H91 V95 V96 C97 A105 W108 V156	F88-A93 HydrophobicContact CE1-CB 3.99Å; F88-A93 HydrophobicContact CZ-CB 4.46Å; S89-A93 PolarHBondContact O-N 3.5Å; I90-A93 HydrophobicContact CD1-CB 4.21Å; I90-A93 WeakPolarHBondContact O-CB 3.31Å; I90-A93 PolarHBondContact O-N 2.82Å; H91-A93 VanDerWaalsContact C-N 3.32Å; H91-A93 PolarHBondContact O-N 3.44Å; A93-V95 VanDerWaalsContact C-N 3.31Å; A93-V95 PolarHBondContact O-N 2.84Å; A93-V96 PolarHBondContact O-N 2.8Å; A93-C97 WeakPolarHBondContact O-CB 3.26Å; A93-C97 PolarHBondContact O-N 2.8Å; A93-C97 PolarHBondContact O-SG 3.04Å; A93-A105 HydrophobicContact CB-CB 3.62Å; A93-W108 HydrophobicContact CB-CB 3.98Å; A93-V156 HydrophobicContact CB-CG1 3.91Å
94	H	95.8	Very high	92.8	Very high	56 Å²	56	30.8 Å²	30.8	26%	0.259	16%	0.157	S	C	.	.	H	α-helix	trans	-61.1	-38.8	174.8	-81.1	-69.3	0	0	0	112.1	I90 H91 A92 R98 A105	I90-H94 PolarHBondContact O-CD2 3.45Å; I90-H94 PolarHBondContact O-N 2.61Å; H91-H94 PolarHBondContact O-N 3.23Å; A92-H94 VanDerWaalsContact C-N 3.32Å; A92-H94 PolarHBondContact O-N 3.29Å; H94-R98 WeakPolarHBondContact O-CB 3.22Å; H94-R98 PolarHBondContact O-N 3.07Å; H94-A105 PolarHBondContact CE1-O 3.02Å; H94-A105 VanDerWaalsContact CE1-O 3.24Å; H94-A105 PolarHBondContact ND1-N 3.41Å; H94-A105 VanDerWaalsContact ND1-N 3.14Å
95	V	95.1	Very high	92.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.7	-50.3	174	178.1	0	0	0	0	110.1	H91 A92 A93 C97 R98 E99 C128 E132 L135	H91-V95 WeakPolarHBondContact O-CG2 3.4Å; H91-V95 PolarHBondContact O-N 3.01Å; H91-V95 VanDerWaalsContact O-N 3.14Å; A92-V95 WeakPolarHBondContact O-CB 3.08Å; A92-V95 PolarHBondContact O-N 3.4Å; A92-V95 VanDerWaalsContact O-N 3.09Å; A93-V95 VanDerWaalsContact C-N 3.31Å; A93-V95 PolarHBondContact O-N 2.84Å; V95-C97 PolarHBondContact O-N 2.92Å; V95-R98 PolarHBondContact O-N 2.92Å; V95-E99 WeakPolarHBondContact O-CB 3.24Å; V95-E99 PolarHBondContact O-N 3.11Å; V95-C128 HydrophobicContact CG2-CB 4.11Å; V95-E132 HydrophobicContact CG1-CB 4.12Å; V95-E132 HydrophobicContact CG2-CB 3.95Å; V95-E132 VanDerWaalsContact CG2-OE2 3.26Å; V95-E132 WeakPolarHBondContact CG2-OE2 3.37Å; V95-L135 HydrophobicContact CB-CD1 4.44Å; V95-L135 HydrophobicContact CG1-CD1 4.25Å
96	V	94.8	Very high	92.6	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-55.3	-52.6	176.8	173	0	0	0	0	111.2	L58 V72 F88 A92 A93 R98 E99 L100 L135 V156	L58-V96 HydrophobicContact CD1-CB 4.34Å; L58-V96 HydrophobicContact CD1-CG1 4.1Å; L58-V96 HydrophobicContact CD1-CG2 4.29Å; V72-V96 HydrophobicContact CG1-CG1 4.21Å; V72-V96 HydrophobicContact CG1-CG2 4.21Å; V72-V96 HydrophobicContact CG2-CG1 4.05Å; V72-V96 HydrophobicContact CG2-CG2 4.45Å; F88-V96 HydrophobicContact CZ-CG2 4.38Å; A92-V96 WeakPolarHBondContact O-CG2 3.37Å; A92-V96 PolarHBondContact O-N 2.77Å; A93-V96 PolarHBondContact O-N 2.8Å; V96-R98 PolarHBondContact O-N 3.41Å; V96-E99 PolarHBondContact O-N 2.88Å; V96-L100 HydrophobicContact CG1-CD1 3.75Å; V96-L100 HydrophobicContact CG1-CG 4.5Å; V96-L100 WeakPolarHBondContact O-CB 3.41Å; V96-L100 VanDerWaalsContact O-CG 3.26Å; V96-L100 WeakPolarHBondContact O-CG 3.26Å; V96-L100 PolarHBondContact O-N 2.82Å; V96-L135 HydrophobicContact CG2-CD1 3.49Å; V96-L135 VanDerWaalsContact CG2-CD1 3.49Å; V96-L135 HydrophobicContact CG2-CD2 3.95Å; V96-L135 HydrophobicContact CG2-CG 4.3Å; V96-V156 HydrophobicContact CB-CG1 4.47Å; V96-V156 HydrophobicContact CG1-CG1 4.37Å; V96-V156 HydrophobicContact CG1-CG2 3.8Å
97	C	93	Very high	92.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64.6	-40.9	-177.2	-73.3	0	0	0	0	112.1	A93 V95 L100 G101 Y102 A105 C158	A93-C97 WeakPolarHBondContact O-CB 3.26Å; A93-C97 PolarHBondContact O-N 2.8Å; A93-C97 PolarHBondContact O-SG 3.04Å; V95-C97 PolarHBondContact O-N 2.92Å; C97-L100 CarbonylContact O-C 3.49Å; C97-L100 PolarHBondContact O-N 3.06Å; C97-G101 PolarHBondContact O-N 3.25Å; C97-G101 VanDerWaalsContact O-N 3.14Å; C97-Y102 WeakPolarHBondContact O-CA 3.18Å; C97-Y102 WeakPolarHBondContact O-CB 3.41Å; C97-Y102 PolarHBondContact O-N 3.05Å; C97-A105 HydrophobicContact CB-CB 4.23Å; C97-C158 VanDerWaalsContact CA-SG 3.51Å; C97-C158 HydrophobicContact CB-CB 3.84Å; C97-C158 WeakPolarHBondContact CB-SG 3.47Å; C97-C158 WeakPolarHBondContact SG-CA 3.45Å; C97-C158 WeakPolarHBondContact SG-CB 3.29Å; C97-C158 CovalentContact SG-SG 2.05Å; C97-C158 PolarHBondContact SG-SG 3.17Å
98	R	90.4	Very high	92.7	Very high	45 Å²	45	35 Å²	35	17%	0.17	17%	0.172	C	C	.	.	H	α-helix	trans	-67.5	-41.2	176.1	-179.3	171.8	64.4	-131.2	-8.4	112.1	Y44 H94 V95 V96 L100 G101 Y102 G130 E132 I163 F166	Y44-R98 WeakPolarHBondContact OH-CG 3.13Å; H94-R98 WeakPolarHBondContact O-CB 3.22Å; H94-R98 PolarHBondContact O-N 3.07Å; V95-R98 PolarHBondContact O-N 2.92Å; V96-R98 PolarHBondContact O-N 3.41Å; R98-L100 PolarHBondContact O-N 3.35Å; R98-G101 PolarHBondContact O-N 3.41Å; R98-Y102 WeakPolarHBondContact CA-O 3.35Å; R98-G130 VanDerWaalsContact CZ-O 3.28Å; R98-G130 PolarHBondContact NH1-O 3.25Å; R98-G130 PolarHBondContact NH2-O 2.78Å; R98-E132 PolarHBondContact NH2-O 2.67Å; R98-I163 HydrophobicContact CG-CD1 3.83Å; R98-F166 WeakPolarHBondContact O-CE2 3.29Å
99	E	88.7	Confident	92.5	Very high	21 Å²	21	36.2 Å²	36.2	10%	0.098	18%	0.181	C	C	.	.	H	α-helix	trans	-64.1	-29.8	174.4	-176.6	167.9	-165.3	0	0	111.6	L58 V95 V96 G101 T134 L135 F166 F168	L58-E99 HydrophobicContact CD1-CB 4.06Å; L58-E99 HydrophobicContact CD1-CG 3.91Å; L58-E99 VanDerWaalsContact CD1-OE2 3.24Å; L58-E99 WeakPolarHBondContact CD1-OE2 3.49Å; L58-E99 HydrophobicContact CG-CG 4.36Å; V95-E99 WeakPolarHBondContact O-CB 3.24Å; V95-E99 PolarHBondContact O-N 3.11Å; V96-E99 PolarHBondContact O-N 2.88Å; E99-G101 VanDerWaalsContact C-N 3.29Å; E99-T134 VanDerWaalsContact OE1-CB 3.31Å; E99-T134 WeakPolarHBondContact OE1-CB 3.32Å; E99-T134 PolarHBondContact OE1-OG1 2.94Å; E99-T134 VanDerWaalsContact OE2-CA 3.22Å; E99-T134 WeakPolarHBondContact OE2-CA 3.41Å; E99-T134 PolarHBondContact OE2-OG1 3.49Å; E99-L135 PolarHBondContact OE2-N 2.98Å; E99-F166 VanDerWaalsContact O-CZ 3.28Å; E99-F166 WeakPolarHBondContact O-CZ 3.46Å; E99-F168 WeakPolarHBondContact O-CE1 2.96Å
100	L	85.3	Confident	92.4	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.026	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	0.9	171.2	-70	170.8	0	0	0	114.2	L58 L60 V96 C97 R98 Y102 R162	L58-L100 HydrophobicContact CB-CD2 3.72Å; L58-L100 HydrophobicContact CB-CG 4.12Å; L58-L100 WeakPolarHBondContact O-CD2 3.48Å; L60-L100 HydrophobicContact CD1-CD1 4.04Å; L60-L100 HydrophobicContact CD2-CD1 3.65Å; L60-L100 HydrophobicContact CG-CD1 3.63Å; V96-L100 HydrophobicContact CG1-CD1 3.75Å; V96-L100 HydrophobicContact CG1-CG 4.5Å; V96-L100 WeakPolarHBondContact O-CB 3.41Å; V96-L100 VanDerWaalsContact O-CG 3.26Å; V96-L100 WeakPolarHBondContact O-CG 3.26Å; V96-L100 PolarHBondContact O-N 2.82Å; C97-L100 CarbonylContact O-C 3.49Å; C97-L100 PolarHBondContact O-N 3.06Å; R98-L100 PolarHBondContact O-N 3.35Å; L100-Y102 HydrophobicContact CB-CD2 3.79Å; L100-Y102 HydrophobicContact CB-CE2 3.94Å; L100-R162 PolarHBondContact O-NH1 3.42Å
101	G	82.2	Confident	92.3	Very high	2 Å²	2	37.6 Å²	37.6	2%	0.021	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	15.2	176.6	0	0	0	0	0	115.6	C97 R98 E99 R162 I163	C97-G101 PolarHBondContact O-N 3.25Å; C97-G101 VanDerWaalsContact O-N 3.14Å; R98-G101 PolarHBondContact O-N 3.41Å; E99-G101 VanDerWaalsContact C-N 3.29Å; G101-R162 WeakPolarHBondContact O-CA 3.41Å; G101-R162 WeakPolarHBondContact O-CD 3.44Å; G101-I163 PolarHBondContact O-N 2.91Å
102	Y	86.6	Confident	92	Very high	6 Å²	6	33.9 Å²	33.9	2%	0.024	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-88.5	151.9	168.8	-59.4	-82	0	0	0	110.6	H67 S68 C97 R98 L100 E104 C158 S159 K161 R162 I163	H67-Y102 PolarHBondContact O-OH 3.41Å; S68-Y102 WeakPolarHBondContact CA-OH 3.31Å; C97-Y102 WeakPolarHBondContact O-CA 3.18Å; C97-Y102 WeakPolarHBondContact O-CB 3.41Å; C97-Y102 PolarHBondContact O-N 3.05Å; R98-Y102 WeakPolarHBondContact CA-O 3.35Å; L100-Y102 HydrophobicContact CB-CD2 3.79Å; L100-Y102 HydrophobicContact CB-CE2 3.94Å; Y102-E104 VanDerWaalsContact C-N 3.3Å; Y102-E104 PolarHBondContact O-N 3.03Å; Y102-C158 HydrophobicContact CD1-CB 3.93Å; Y102-C158 HydrophobicContact CD2-CB 3.53Å; Y102-C158 VanDerWaalsContact CD2-SG 3.56Å; Y102-C158 HydrophobicContact CE1-CB 4.34Å; Y102-C158 HydrophobicContact CE2-CB 4.02Å; Y102-C158 HydrophobicContact CG-CB 3.46Å; Y102-C158 VanDerWaalsContact CG-CB 3.46Å; Y102-S159 WeakPolarHBondContact CD1-O 3.48Å; Y102-K161 WeakPolarHBondContact CA-O 3.42Å; Y102-R162 VanDerWaalsContact CD1-NH1 3.29Å; Y102-R162 VanDerWaalsContact CZ-NH2 3.27Å; Y102-R162 PolarHBondContact OH-NH1 3.36Å; Y102-R162 PolarHBondContact OH-NH2 2.78Å; Y102-I163 VanDerWaalsContact O-CD1 3.25Å; Y102-I163 WeakPolarHBondContact O-CD1 3.47Å; Y102-I163 WeakPolarHBondContact O-CG1 2.98Å
103	V	86.3	Confident	91.6	Very high	68 Å²	68	36.8 Å²	36.8	41%	0.412	20%	0.202	S	C	.	.	S	Bend	trans	-63.9	-39.2	-177.4	171.6	0	0	0	0	111.5	K161 I163	V103-K161 HydrophobicContact CB-CB 4.18Å; V103-K161 HydrophobicContact CG2-CB 3.74Å; V103-K161 WeakPolarHBondContact CG2-O 3.39Å; V103-K161 PolarHBondContact N-O 3.11Å; V103-I163 HydrophobicContact CG2-CG1 4.19Å
104	E	90.2	Very high	91.3	Very high	82 Å²	82	37.2 Å²	37.2	38%	0.383	20%	0.204	S	C	.	.			trans	-160.7	161	-172.8	64.9	-166.5	151.2	0	0	111.8	Y102 S159	Y102-E104 VanDerWaalsContact C-N 3.3Å; Y102-E104 PolarHBondContact O-N 3.03Å; E104-S159 PolarHBondContact O-N 3Å; E104-S159 PolarHBondContact O-OG 3.39Å
105	A	94.4	Very high	90.9	Very high	6 Å²	6	35.5 Å²	35.5	5%	0.05	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	138	162.4	0	0	0	0	0	109.5	I90 A93 H94 C97	I90-A105 HydrophobicContact CD1-CB 4.11Å; A93-A105 HydrophobicContact CB-CB 3.62Å; H94-A105 PolarHBondContact CE1-O 3.02Å; H94-A105 VanDerWaalsContact CE1-O 3.24Å; H94-A105 PolarHBondContact ND1-N 3.41Å; H94-A105 VanDerWaalsContact ND1-N 3.14Å; C97-A105 HydrophobicContact CB-CB 4.23Å
106	K	93.9	Very high	90.8	Very high	120 Å²	120	41.8 Å²	41.8	52%	0.522	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-38.6	170.1	-72.3	-179.8	170.7	172.7	0	110.9	V157 D160	K106-V157 HydrophobicContact CB-CG1 4.28Å; K106-V157 PolarHBondContact N-O 3.13Å; K106-D160 IonicContact NZ-OD2 3.02Å; K106-D160 PolarHBondContact NZ-OD2 3.09Å
107	S	94.6	Very high	90.7	Very high	51 Å²	51	42 Å²	42	36%	0.357	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	176.9	177.8	60.5	0	0	0	0	110.8	V157	S107-V157 PolarHBondContact N-O 2.9Å; S107-V157 PolarHBondContact O-N 2.89Å; S107-V157 WeakPolarHBondContact OG-CB 3.2Å; S107-V157 WeakPolarHBondContact OG-CG2 3.26Å
108	W	95.8	Very high	90.7	Very high	83 Å²	83	50 Å²	50	31%	0.314	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	161.2	170.1	68	-82.7	0	0	0	109.2	D85 F88 A93 A110 V154 G155 V156	D85-W108 HydrophobicContact CB-CZ3 4.22Å; F88-W108 HydrophobicContact CB-CH2 4.48Å; F88-W108 HydrophobicContact CB-CZ3 4.23Å; F88-W108 HydrophobicContact CD1-CB 4.32Å; F88-W108 AromaticContact CD1-CD2 3.72Å; F88-W108 HydrophobicContact CD1-CD2 3.72Å; F88-W108 AromaticContact CD1-CE3 3.69Å; F88-W108 HydrophobicContact CD1-CE3 3.69Å; F88-W108 HydrophobicContact CD1-CG 4.01Å; F88-W108 HydrophobicContact CD1-CZ3 4.24Å; F88-W108 HydrophobicContact CE1-CB 3.94Å; F88-W108 HydrophobicContact CE1-CD2 4.26Å; F88-W108 HydrophobicContact CE1-CE3 4.39Å; F88-W108 HydrophobicContact CE1-CG 4.07Å; F88-W108 HydrophobicContact CG-CE3 4.49Å; F88-W108 WeakPolarHBondContact O-CH2 3.45Å; F88-W108 WeakPolarHBondContact O-CZ2 3.38Å; A93-W108 HydrophobicContact CB-CB 3.98Å; W108-A110 HydrophobicContact CZ3-CB 3.92Å; W108-V154 HydrophobicContact CE3-CG2 3.7Å; W108-V154 HydrophobicContact CZ3-CG2 4.17Å; W108-G155 CarbonylContact C-O 3Å; W108-G155 VanDerWaalsContact CA-O 3.3Å; W108-G155 WeakPolarHBondContact CA-O 3.22Å; W108-G155 WeakPolarHBondContact CB-O 3.37Å; W108-V156 HydrophobicContact CB-CG1 4.31Å
109	T	93.3	Very high	90.8	Very high	35 Å²	35	50 Å²	50	22%	0.215	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	141	-178	56.9	0	0	0	0	111	Y114 V154 G155	T109-Y114 WeakPolarHBondContact OG1-CE2 3.26Å; T109-V154 WeakPolarHBondContact O-CG2 3.49Å; T109-G155 PolarHBondContact N-O 3.12Å; T109-G155 PolarHBondContact O-N 3.26Å; T109-G155 WeakPolarHBondContact OG1-CA 3.35Å
110	A	93.9	Very high	91.2	Very high	33 Å²	33	50.6 Å²	50.6	27%	0.273	29%	0.288	S	S	.	.			trans	-93.3	179.2	177	0	0	0	0	0	111	D85 W108 S112 S113	D85-A110 HydrophobicContact CB-CB 4.06Å; D85-A110 WeakPolarHBondContact OD2-CA 3.24Å; D85-A110 VanDerWaalsContact OD2-CB 3.29Å; D85-A110 WeakPolarHBondContact OD2-CB 3.42Å; W108-A110 HydrophobicContact CZ3-CB 3.92Å; A110-S112 VanDerWaalsContact C-N 3.3Å; A110-S112 PolarHBondContact O-N 3.45Å; A110-S113 PolarHBondContact O-N 3.21Å; A110-S113 PolarHBondContact O-OG 3.35Å
111	S	92.8	Very high	91.8	Very high	85 Å²	85	51 Å²	51	59%	0.594	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	37.6	164.7	-50.5	0	0	0	0	114.5	D85 S113 T151	D85-S111 PolarHBondContact OD2-N 2.93Å; S111-S113 VanDerWaalsContact C-N 3.26Å; S111-S113 PolarHBondContact O-N 3.27Å; S111-T151 CarbonylContact C-O 3.58Å; S111-T151 WeakPolarHBondContact CA-O 3.25Å
112	S	91.9	Very high	92.5	Very high	13 Å²	13	52.3 Å²	52.3	9%	0.091	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	55	40	177.6	-55.5	0	0	0	0	113.9	A110 Y114 G115 H150 T151 E152 D153	A110-S112 VanDerWaalsContact C-N 3.3Å; A110-S112 PolarHBondContact O-N 3.45Å; S112-Y114 PolarHBondContact O-N 3.35Å; S112-G115 CarbonylContact O-C 3.54Å; S112-G115 WeakPolarHBondContact O-CA 3.48Å; S112-G115 PolarHBondContact O-N 2.82Å; S112-H150 PolarHBondContact OG-O 3.18Å; S112-T151 PolarHBondContact N-O 3.18Å; S112-T151 PolarHBondContact OG-O 2.99Å; S112-E152 PolarHBondContact OG-N 2.8Å; S112-D153 VanDerWaalsContact CA-O 3.22Å; S112-D153 WeakPolarHBondContact CA-O 3.13Å; S112-D153 PolarHBondContact N-O 3.3Å; S112-D153 WeakPolarHBondContact OG-CB 3.42Å; S112-D153 PolarHBondContact OG-N 2.72Å
113	S	88.4	Confident	93	Very high	62 Å²	62	52 Å²	52	43%	0.434	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-22.1	-180	-68.1	0	0	0	0	114.5	A110 S111	A110-S113 PolarHBondContact O-N 3.21Å; A110-S113 PolarHBondContact O-OG 3.35Å; S111-S113 VanDerWaalsContact C-N 3.26Å; S111-S113 PolarHBondContact O-N 3.27Å
114	Y	89	Confident	93.5	Very high	9 Å²	9	48.8 Å²	48.8	4%	0.035	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	19.2	175.4	-68.5	-72.7	0	0	0	113.2	G62 Q63 E69 R71 T109 S112 V157	G62-Y114 CarbonylContact C-O 3.47Å; G62-Y114 VanDerWaalsContact CA-O 3.26Å; G62-Y114 WeakPolarHBondContact CA-O 3.08Å; Q63-Y114 PolarHBondContact N-O 3.24Å; Q63-Y114 WeakPolarHBondContact O-CD1 3.46Å; E69-Y114 HydrophobicContact CG-CE1 4.01Å; E69-Y114 VanDerWaalsContact OE1-CE1 3.23Å; E69-Y114 WeakPolarHBondContact OE1-CE1 3.42Å; E69-Y114 PolarHBondContact OE1-OH 2.7Å; R71-Y114 PolarHBondContact NH1-O 3.14Å; T109-Y114 WeakPolarHBondContact OG1-CE2 3.26Å; S112-Y114 PolarHBondContact O-N 3.35Å; Y114-V157 WeakPolarHBondContact OH-CG2 3.34Å
115	G	88.8	Confident	93.7	Very high	20 Å²	20	46.9 Å²	46.9	21%	0.206	27%	0.266	C	S	.	.			trans	87.8	159.8	-171.3	0	0	0	0	0	112.5	R71 S112	R71-G115 VanDerWaalsContact NH1-C 3.3Å; R71-G115 PolarHBondContact NH1-O 2.79Å; S112-G115 CarbonylContact O-C 3.54Å; S112-G115 WeakPolarHBondContact O-CA 3.48Å; S112-G115 PolarHBondContact O-N 2.82Å
116	K	93.1	Very high	93.7	Very high	131 Å²	131	46.6 Å²	46.6	57%	0.57	26%	0.263	S	S	*	.			trans	-71.1	141.1	177.4	-53.1	-163.2	179.3	174.9	0	110.7	R71 H150 T151	R71-K116 PolarHBondContact NH1-O 2.86Å; K116-H150 HydrophobicContact CB-CB 3.99Å; K116-H150 VanDerWaalsContact CB-O 3.28Å; K116-H150 WeakPolarHBondContact CB-O 3.2Å; K116-H150 WeakPolarHBondContact CD-O 3.35Å; K116-H150 WeakPolarHBondContact CG-O 3.5Å; K116-T151 HydrophobicContact CD-CG2 4.34Å; K116-T151 VanDerWaalsContact CE-CG2 3.46Å
117	G	92.7	Very high	93.8	Very high	5 Å²	5	45.6 Å²	45.6	5%	0.052	26%	0.26	C	S	.	.			trans	-78.9	-176.7	167.5	0	0	0	0	0	112.5	H150 D153	G117-H150 PolarHBondContact O-CD2 3.24Å; G117-H150 VanDerWaalsContact O-CD2 3.29Å; G117-D153 WeakPolarHBondContact CA-OD2 3.38Å; G117-D153 PolarHBondContact N-OD2 3.05Å
118	E	91.6	Very high	93.8	Very high	169 Å²	169	43.8 Å²	43.8	79%	0.79	25%	0.247	S	C	*	.			trans	-136.3	151.1	175.7	-63.2	-176.4	167.9	0	0	109
119	G	93.9	Very high	93.6	Very high	45 Å²	45	44.4 Å²	44.4	46%	0.464	26%	0.261	S	S	.	.	S	Bend	trans	92.8	-150.9	177.2	0	0	0	0	0	113.2	H150	G119-H150 PolarHBondContact N-NE2 2.92Å; G119-H150 PolarHBondContact O-CE1 3.13Å; G119-H150 PolarHBondContact O-NE2 2.95Å
120	P	96.4	Very high	93.5	Very high	32 Å²	32	43.1 Å²	43.1	21%	0.208	25%	0.254	C	S	.	.			trans	-74.6	148.2	-179.7	28.6	-33.2	0	0	0	111.7	Q79 G81 T82 W122	Q79-P120 HydrophobicContact CG-CG 4.2Å; G81-P120 CarbonylContact C-O 3.4Å; G81-P120 WeakPolarHBondContact CA-O 3.07Å; T82-P120 PolarHBondContact N-O 3.22Å; P120-W122 HydrophobicContact CB-CD2 4.17Å; P120-W122 HydrophobicContact CB-CE3 4.24Å; P120-W122 HydrophobicContact CB-CH2 4.15Å; P120-W122 HydrophobicContact CB-CZ2 4.1Å; P120-W122 HydrophobicContact CB-CZ3 4.22Å; P120-W122 HydrophobicContact CG-CD2 4.05Å; P120-W122 VanDerWaalsContact CG-CE2 3.47Å; P120-W122 HydrophobicContact CG-CE3 4.47Å; P120-W122 HydrophobicContact CG-CH2 3.88Å; P120-W122 HydrophobicContact CG-CZ2 3.39Å; P120-W122 HydrophobicContact CG-CZ3 4.39Å
121	I	97.4	Very high	93.3	Very high	14 Å²	14	47.5 Å²	47.5	7%	0.072	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	110.3	162.6	-55.1	175.3	0	0	0	105.8	T82 C84 G144 T146 C148	T82-I121 WeakPolarHBondContact OG1-CG1 3.28Å; C84-I121 HydrophobicContact CB-CG2 4.14Å; I121-G144 WeakPolarHBondContact O-CA 3.42Å; I121-T146 HydrophobicContact CB-CG2 3.72Å; I121-T146 HydrophobicContact CD1-CG2 4.45Å; I121-T146 HydrophobicContact CG2-CG2 4.09Å; I121-C148 HydrophobicContact CD1-CB 4.01Å; I121-C148 WeakPolarHBondContact CD1-O 3.48Å
122	W	97.4	Very high	93.3	Very high	29 Å²	29	44.8 Å²	44.8	11%	0.11	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-33.2	-168.9	-78.6	132.8	0	0	0	114	V74 Y76 Q79 G81 T82 P120 W143 G144	V74-W122 PolarHBondContact O-NE1 2.83Å; Y76-W122 HydrophobicContact CD1-CD2 4.18Å; Y76-W122 AromaticContact CD1-CE3 3.95Å; Y76-W122 HydrophobicContact CD1-CE3 3.95Å; Y76-W122 HydrophobicContact CD1-CH2 4.21Å; Y76-W122 HydrophobicContact CD1-CZ2 4.38Å; Y76-W122 AromaticContact CD1-CZ3 3.98Å; Y76-W122 HydrophobicContact CD1-CZ3 3.98Å; Y76-W122 WeakPolarHBondContact O-CZ2 3.04Å; Q79-W122 HydrophobicContact CB-CZ2 4.27Å; Q79-W122 PolarHBondContact O-NE1 3.19Å; G81-W122 VanDerWaalsContact CA-CD1 3.41Å; T82-W122 PolarHBondContact O-N 3.01Å; P120-W122 HydrophobicContact CB-CD2 4.17Å; P120-W122 HydrophobicContact CB-CE3 4.24Å; P120-W122 HydrophobicContact CB-CH2 4.15Å; P120-W122 HydrophobicContact CB-CZ2 4.1Å; P120-W122 HydrophobicContact CB-CZ3 4.22Å; P120-W122 HydrophobicContact CG-CD2 4.05Å; P120-W122 VanDerWaalsContact CG-CE2 3.47Å; P120-W122 HydrophobicContact CG-CE3 4.47Å; P120-W122 HydrophobicContact CG-CH2 3.88Å; P120-W122 HydrophobicContact CG-CZ2 3.39Å; P120-W122 HydrophobicContact CG-CZ3 4.39Å; W122-W143 HydrophobicContact CB-CE3 4.05Å; W122-W143 HydrophobicContact CB-CZ3 4.12Å; W122-W143 HydrophobicContact CG-CE3 4.46Å; W122-W143 WeakPolarHBondContact O-CA 3.41Å; W122-G144 PolarHBondContact O-N 3.43Å
123	L	97.1	Very high	92.9	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	140.5	-172.9	-66.3	171.8	0	0	0	109.9	V74 V83 C84 L126 L135 W143	V74-L123 HydrophobicContact CG2-CD1 4.29Å; V83-L123 WeakPolarHBondContact CA-O 3.5Å; V83-L123 HydrophobicContact CG1-CB 4.02Å; V83-L123 HydrophobicContact CG2-CB 4.23Å; V83-L123 HydrophobicContact CG2-CD1 4.35Å; C84-L123 PolarHBondContact N-O 3.01Å; L123-L126 HydrophobicContact CB-CD1 4.07Å; L123-L126 HydrophobicContact CD1-CD1 3.94Å; L123-L126 HydrophobicContact CD2-CD1 4.35Å; L123-L126 HydrophobicContact CG-CD1 4.35Å; L123-L135 HydrophobicContact CD1-CD2 3.74Å; L123-L135 HydrophobicContact CD1-CG 3.98Å; L123-W143 HydrophobicContact CD1-CH2 4.13Å; L123-W143 HydrophobicContact CD1-CZ3 4.18Å; L123-W143 HydrophobicContact CD2-CD2 4.38Å; L123-W143 HydrophobicContact CD2-CE3 4.07Å; L123-W143 HydrophobicContact CD2-CH2 3.9Å; L123-W143 HydrophobicContact CD2-CZ2 4.27Å; L123-W143 HydrophobicContact CD2-CZ3 3.82Å; L123-W143 HydrophobicContact CG-CE3 4.41Å; L123-W143 HydrophobicContact CG-CH2 4.22Å; L123-W143 HydrophobicContact CG-CZ3 3.91Å
124	D	96.7	Very high	93	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.241	C	C	.	.			trans	-151	151.1	-175.1	-170.5	9.5	0	0	0	110	C84 L126 S140 N141 T146 C148	C84-D124 HydrophobicContact CB-CB 4.21Å; C84-D124 WeakPolarHBondContact CB-OD1 3.22Å; D124-L126 PolarHBondContact O-N 3.39Å; D124-S140 WeakPolarHBondContact O-CA 3.38Å; D124-S140 VanDerWaalsContact O-CB 3.28Å; D124-S140 WeakPolarHBondContact O-CB 3.14Å; D124-N141 PolarHBondContact O-N 2.83Å; D124-T146 VanDerWaalsContact CG-OG1 3.26Å; D124-T146 WeakPolarHBondContact OD2-CA 3.26Å; D124-T146 WeakPolarHBondContact OD2-CB 3.36Å; D124-T146 PolarHBondContact OD2-OG1 3.27Å; D124-C148 PolarHBondContact OD1-SG 2.92Å; D124-C148 VanDerWaalsContact OD1-SG 3.41Å
125	N	95.1	Very high	93.2	Very high	41 Å²	41	42.7 Å²	42.7	22%	0.219	24%	0.239	C	C	.	.	S	Bend	trans	46	56.7	-169.3	-66.9	-4.4	0	0	0	112.6	D86 D87 H127 N141	D86-N125 WeakPolarHBondContact CB-OD1 3.47Å; D86-N125 WeakPolarHBondContact O-CA 3.34Å; D87-N125 HydrophobicContact CB-CB 4.5Å; N125-H127 PolarHBondContact O-N 3.16Å; N125-N141 PolarHBondContact ND2-ND2 3.46Å
126	L	94.6	Very high	93.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.235	C	C	.	.			trans	-83.3	101.4	-167.8	-167.5	90.9	0	0	0	111.9	F88 A92 L123 D124 L135 C138 T139	F88-L126 HydrophobicContact CD2-CB 4.42Å; F88-L126 HydrophobicContact CD2-CD2 3.99Å; F88-L126 HydrophobicContact CE2-CD2 3.85Å; A92-L126 HydrophobicContact CB-CD2 3.69Å; L123-L126 HydrophobicContact CB-CD1 4.07Å; L123-L126 HydrophobicContact CD1-CD1 3.94Å; L123-L126 HydrophobicContact CD2-CD1 4.35Å; L123-L126 HydrophobicContact CG-CD1 4.35Å; D124-L126 PolarHBondContact O-N 3.39Å; L126-L135 HydrophobicContact CD1-CG 4.44Å; L126-L135 HydrophobicContact CD2-CD1 3.42Å; L126-L135 VanDerWaalsContact CD2-CD1 3.42Å; L126-L135 HydrophobicContact CD2-CD2 4.4Å; L126-L135 HydrophobicContact CD2-CG 3.88Å; L126-C138 HydrophobicContact CD1-CB 3.94Å; L126-C138 HydrophobicContact CG-CB 4.03Å; L126-T139 WeakPolarHBondContact CA-O 3.38Å
127	H	94.3	Very high	93.4	Very high	99 Å²	99	38.1 Å²	38.1	46%	0.458	22%	0.224	S	C	.	.	B	Isolated β-bridge	trans	-98.1	107.3	176.9	-61.9	-61.7	0	0	0	112.1	D87 N125 T139	D87-H127 VanDerWaalsContact CB-CE1 3.41Å; D87-H127 WeakPolarHBondContact CB-CE1 3.36Å; D87-H127 VanDerWaalsContact CG-CE1 3.49Å; D87-H127 IonicContact OD2-CE1 3.15Å; D87-H127 PolarHBondContact OD2-CE1 2.69Å; D87-H127 IonicContact OD2-NE2 2.86Å; N125-H127 PolarHBondContact O-N 3.16Å; H127-T139 PolarHBondContact N-O 3.5Å; H127-T139 PolarHBondContact O-N 3.31Å; H127-T139 VanDerWaalsContact O-N 3.1Å
128	C	94.9	Very high	93.5	Very high	13 Å²	13	38.3 Å²	38.3	9%	0.088	22%	0.224	C	C	.	.			trans	-111.6	145.2	172.1	-55.2	0	0	0	0	111	H91 A92 V95 C138	H91-C128 HydrophobicContact CB-CB 4.48Å; H91-C128 VanDerWaalsContact CB-O 3.26Å; H91-C128 WeakPolarHBondContact CB-O 3.43Å; A92-C128 VanDerWaalsContact CA-SG 3.53Å; A92-C128 HydrophobicContact CB-CB 4.04Å; A92-C128 VanDerWaalsContact CB-SG 3.54Å; V95-C128 HydrophobicContact CG2-CB 4.11Å; C128-C138 HydrophobicContact CB-CB 4.1Å; C128-C138 WeakPolarHBondContact CB-SG 3.29Å; C128-C138 WeakPolarHBondContact SG-CB 3.38Å; C128-C138 CovalentContact SG-SG 2.03Å; C128-C138 PolarHBondContact SG-SG 2.74Å
129	T	92.7	Very high	93.6	Very high	96 Å²	96	35 Å²	35	59%	0.589	22%	0.216	S	C	*	.			trans	-80.7	-17.6	167.7	63.6	0	0	0	0	112.6	H91 E132	H91-T129 PolarHBondContact CD2-O 3.45Å; T129-E132 WeakPolarHBondContact CB-OE1 3.45Å; T129-E132 PolarHBondContact N-OE1 2.76Å; T129-E132 PolarHBondContact N-OE2 2.71Å; T129-E132 VanDerWaalsContact OG1-CD 3.29Å; T129-E132 PolarHBondContact OG1-OE1 2.97Å; T129-E132 PolarHBondContact OG1-OE2 3.2Å
130	G	90.4	Very high	93.6	Very high	8 Å²	8	34.6 Å²	34.6	8%	0.082	21%	0.206	C	C	.	.	S	Bend	trans	98.2	-6.2	-178.9	0	0	0	0	0	113.7	R98 E132	R98-G130 VanDerWaalsContact CZ-O 3.28Å; R98-G130 PolarHBondContact NH1-O 3.25Å; R98-G130 PolarHBondContact NH2-O 2.78Å; G130-E132 WeakPolarHBondContact CA-OE2 3.34Å; G130-E132 PolarHBondContact N-OE2 2.71Å
131	N	89.5	Confident	93.5	Very high	126 Å²	126	36.8 Å²	36.8	67%	0.674	22%	0.215	S	C	*	.			trans	-107.6	-0.6	-176.6	-67.7	-42.1	0	0	0	113.7
132	E	92.6	Very high	93.2	Very high	27 Å²	27	37.2 Å²	37.2	13%	0.126	22%	0.224	C	C	.	.			trans	-62.5	144.1	-179.8	-64.2	78.3	-170.4	0	0	112.3	V95 R98 T129 G130 T134 A137	V95-E132 HydrophobicContact CG1-CB 4.12Å; V95-E132 HydrophobicContact CG2-CB 3.95Å; V95-E132 VanDerWaalsContact CG2-OE2 3.26Å; V95-E132 WeakPolarHBondContact CG2-OE2 3.37Å; R98-E132 PolarHBondContact NH2-O 2.67Å; T129-E132 WeakPolarHBondContact CB-OE1 3.45Å; T129-E132 PolarHBondContact N-OE1 2.76Å; T129-E132 PolarHBondContact N-OE2 2.71Å; T129-E132 VanDerWaalsContact OG1-CD 3.29Å; T129-E132 PolarHBondContact OG1-OE1 2.97Å; T129-E132 PolarHBondContact OG1-OE2 3.2Å; G130-E132 WeakPolarHBondContact CA-OE2 3.34Å; G130-E132 PolarHBondContact N-OE2 2.71Å; E132-T134 VanDerWaalsContact C-N 3.32Å; E132-T134 PolarHBondContact O-N 2.86Å; E132-A137 HydrophobicContact CB-CB 4.25Å; E132-A137 HydrophobicContact CG-CB 4.37Å
133	A	84.9	Confident	93.1	Very high	27 Å²	27	39.1 Å²	39.1	22%	0.223	23%	0.231	C	C	.	.	S	Bend	trans	-67.5	-33.7	177.5	0	0	0	0	0	113.2	P47 A49	P47-A133 HydrophobicContact CB-CB 3.92Å; P47-A133 HydrophobicContact CG-CB 4.39Å; P47-A133 WeakPolarHBondContact O-CB 3.4Å; A49-A133 HydrophobicContact CB-CB 4.45Å
134	T	89.9	Confident	92.9	Very high	13 Å²	13	40.9 Å²	40.9	8%	0.08	25%	0.249	C	C	.	.	S	Bend	trans	-149	150.9	-174	174.6	0	0	0	0	109.1	A49 V53 I56 E99 E132 A136 A137	A49-T134 HydrophobicContact CB-CG2 4.24Å; V53-T134 HydrophobicContact CG1-CG2 3.86Å; I56-T134 WeakPolarHBondContact CD1-OG1 3.45Å; I56-T134 WeakPolarHBondContact CG1-OG1 3.16Å; E99-T134 VanDerWaalsContact OE1-CB 3.31Å; E99-T134 WeakPolarHBondContact OE1-CB 3.32Å; E99-T134 PolarHBondContact OE1-OG1 2.94Å; E99-T134 VanDerWaalsContact OE2-CA 3.22Å; E99-T134 WeakPolarHBondContact OE2-CA 3.41Å; E99-T134 PolarHBondContact OE2-OG1 3.49Å; E132-T134 VanDerWaalsContact C-N 3.32Å; E132-T134 PolarHBondContact O-N 2.86Å; T134-A136 HydrophobicContact CG2-CB 4.11Å; T134-A136 PolarHBondContact O-N 2.9Å; T134-A136 PolarHBondContact OG1-N 3.01Å; T134-A137 HydrophobicContact CG2-CB 4.02Å; T134-A137 WeakPolarHBondContact O-CB 3.3Å; T134-A137 PolarHBondContact O-N 3.26Å
135	L	93.9	Very high	92.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-56.9	-32.3	176.4	-157.6	68.7	0	0	0	112.1	I56 L58 V72 V74 V83 V95 V96 E99 L123 L126 A137 C138	I56-L135 HydrophobicContact CD1-CB 3.88Å; L58-L135 HydrophobicContact CD1-CB 4.31Å; L58-L135 HydrophobicContact CD1-CD2 4.48Å; L58-L135 HydrophobicContact CD2-CD2 4.12Å; V72-L135 HydrophobicContact CG1-CD2 4.45Å; V74-L135 HydrophobicContact CG2-CD2 4.21Å; V83-L135 HydrophobicContact CG2-CD2 4.16Å; V95-L135 HydrophobicContact CB-CD1 4.44Å; V95-L135 HydrophobicContact CG1-CD1 4.25Å; V96-L135 HydrophobicContact CG2-CD1 3.49Å; V96-L135 VanDerWaalsContact CG2-CD1 3.49Å; V96-L135 HydrophobicContact CG2-CD2 3.95Å; V96-L135 HydrophobicContact CG2-CG 4.3Å; E99-L135 PolarHBondContact OE2-N 2.98Å; L123-L135 HydrophobicContact CD1-CD2 3.74Å; L123-L135 HydrophobicContact CD1-CG 3.98Å; L126-L135 HydrophobicContact CD1-CG 4.44Å; L126-L135 HydrophobicContact CD2-CD1 3.42Å; L126-L135 VanDerWaalsContact CD2-CD1 3.42Å; L126-L135 HydrophobicContact CD2-CD2 4.4Å; L126-L135 HydrophobicContact CD2-CG 3.88Å; L135-A137 PolarHBondContact O-N 3.19Å; L135-A137 VanDerWaalsContact O-N 3.17Å; L135-C138 WeakPolarHBondContact O-CB 3.49Å; L135-C138 PolarHBondContact O-N 2.85Å; L135-C138 VanDerWaalsContact O-N 3.09Å
136	A	92.6	Very high	92.9	Very high	16 Å²	16	45.2 Å²	45.2	13%	0.132	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-63.7	-16.7	176.1	0	0	0	0	0	114.1	V53 A54 I56 T134 W143	V53-A136 HydrophobicContact CG1-CB 3.67Å; A54-A136 HydrophobicContact CB-CB 4.39Å; A54-A136 WeakPolarHBondContact O-CB 3.37Å; I56-A136 HydrophobicContact CD1-CB 3.75Å; I56-A136 HydrophobicContact CG1-CB 3.89Å; I56-A136 HydrophobicContact CG2-CB 4.17Å; T134-A136 HydrophobicContact CG2-CB 4.11Å; T134-A136 PolarHBondContact O-N 2.9Å; T134-A136 PolarHBondContact OG1-N 3.01Å; A136-W143 HydrophobicContact CB-CH2 3.95Å; A136-W143 HydrophobicContact CB-CZ2 3.63Å
137	A	93.1	Very high	92.9	Very high	39 Å²	39	51.6 Å²	51.6	32%	0.322	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-89.4	-8.4	177.3	0	0	0	0	0	112.9	V53 E132 T134 L135	V53-A137 HydrophobicContact CG1-CB 4.15Å; V53-A137 HydrophobicContact CG2-CB 4.28Å; E132-A137 HydrophobicContact CB-CB 4.25Å; E132-A137 HydrophobicContact CG-CB 4.37Å; T134-A137 HydrophobicContact CG2-CB 4.02Å; T134-A137 WeakPolarHBondContact O-CB 3.3Å; T134-A137 PolarHBondContact O-N 3.26Å; L135-A137 PolarHBondContact O-N 3.19Å; L135-A137 VanDerWaalsContact O-N 3.17Å
138	C	93.9	Very high	93	Very high	9 Å²	9	47.6 Å²	47.6	6%	0.061	29%	0.294	C	S	.	.	S	Bend	trans	-74.2	152.9	173	-60.3	0	0	0	0	110.9	L126 C128 L135	L126-C138 HydrophobicContact CD1-CB 3.94Å; L126-C138 HydrophobicContact CG-CB 4.03Å; C128-C138 HydrophobicContact CB-CB 4.1Å; C128-C138 WeakPolarHBondContact CB-SG 3.29Å; C128-C138 WeakPolarHBondContact SG-CB 3.38Å; C128-C138 CovalentContact SG-SG 2.03Å; C128-C138 PolarHBondContact SG-SG 2.74Å; L135-C138 WeakPolarHBondContact O-CB 3.49Å; L135-C138 PolarHBondContact O-N 2.85Å; L135-C138 VanDerWaalsContact O-N 3.09Å
139	T	94.4	Very high	93	Very high	101 Å²	101	54 Å²	54	62%	0.62	32%	0.321	S	S	*	.	B	Isolated β-bridge	trans	-73.5	136.8	175.2	-54.2	0	0	0	0	108.7	L126 H127	L126-T139 WeakPolarHBondContact CA-O 3.38Å; H127-T139 PolarHBondContact N-O 3.5Å; H127-T139 PolarHBondContact O-N 3.31Å; H127-T139 VanDerWaalsContact O-N 3.1Å
140	S	94.2	Very high	93.2	Very high	36 Å²	36	51.5 Å²	51.5	25%	0.252	30%	0.302	S	S	.	.			trans	-149.5	174.4	178.9	58.5	0	0	0	0	110	D124 G142	D124-S140 WeakPolarHBondContact O-CA 3.38Å; D124-S140 VanDerWaalsContact O-CB 3.28Å; D124-S140 WeakPolarHBondContact O-CB 3.14Å; S140-G142 PolarHBondContact O-N 2.89Å; S140-G142 PolarHBondContact OG-N 3.34Å
141	N	93.4	Very high	93.5	Very high	77 Å²	77	53.9 Å²	53.9	41%	0.412	32%	0.315	S	S	.	.	S	Bend	trans	-66	-9.8	172.7	-70.2	-21.9	0	0	0	113.8	D124 N125 V145	D124-N141 PolarHBondContact O-N 2.83Å; N125-N141 PolarHBondContact ND2-ND2 3.46Å; N141-V145 HydrophobicContact CB-CB 4.41Å; N141-V145 HydrophobicContact CB-CG1 4.26Å; N141-V145 WeakPolarHBondContact CB-O 3.07Å
142	G	91.9	Very high	93.8	Very high	24 Å²	24	50.6 Å²	50.6	25%	0.247	30%	0.296	C	S	.	.			trans	108.4	161.4	-176.6	0	0	0	0	0	112.7	S140 G144 V145	S140-G142 PolarHBondContact O-N 2.89Å; S140-G142 PolarHBondContact OG-N 3.34Å; G142-G144 PolarHBondContact O-N 3.5Å; G142-V145 PolarHBondContact O-N 3.14Å
143	W	94.7	Very high	94	Very high	69 Å²	69	49.3 Å²	49.3	26%	0.261	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	118.2	-175.1	-66.8	98.8	0	0	0	112.4	A54 I56 V74 Y76 W122 L123 A136 V145	A54-W143 HydrophobicContact CB-CZ2 3.74Å; I56-W143 HydrophobicContact CD1-CH2 4.4Å; I56-W143 HydrophobicContact CG2-CH2 3.38Å; I56-W143 HydrophobicContact CG2-CZ2 3.96Å; I56-W143 HydrophobicContact CG2-CZ3 3.99Å; V74-W143 HydrophobicContact CG1-CH2 4.39Å; V74-W143 HydrophobicContact CG1-CZ3 4.04Å; Y76-W143 HydrophobicContact CD1-CB 4.21Å; Y76-W143 AromaticContact CD1-CD2 3.86Å; Y76-W143 HydrophobicContact CD1-CD2 3.86Å; Y76-W143 AromaticContact CD1-CE3 3.58Å; Y76-W143 HydrophobicContact CD1-CE3 3.58Å; Y76-W143 HydrophobicContact CD1-CG 4.13Å; Y76-W143 HydrophobicContact CD1-CZ3 4.36Å; Y76-W143 AromaticContact CD2-CD2 4Å; Y76-W143 HydrophobicContact CD2-CD2 4Å; Y76-W143 AromaticContact CD2-CE3 3.92Å; Y76-W143 HydrophobicContact CD2-CE3 3.92Å; Y76-W143 HydrophobicContact CD2-CH2 4.36Å; Y76-W143 HydrophobicContact CD2-CZ2 4.37Å; Y76-W143 HydrophobicContact CD2-CZ3 4.1Å; Y76-W143 HydrophobicContact CE1-CB 3.6Å; Y76-W143 AromaticContact CE1-CD2 3.73Å; Y76-W143 HydrophobicContact CE1-CD2 3.73Å; Y76-W143 AromaticContact CE1-CE3 3.96Å; Y76-W143 HydrophobicContact CE1-CE3 3.96Å; Y76-W143 AromaticContact CE1-CG 3.55Å; Y76-W143 HydrophobicContact CE1-CG 3.55Å; Y76-W143 AromaticContact CE2-CD2 3.88Å; Y76-W143 HydrophobicContact CE2-CD2 3.88Å; Y76-W143 AromaticContact CE2-CE2 3.93Å; Y76-W143 HydrophobicContact CE2-CE3 4.27Å; Y76-W143 HydrophobicContact CE2-CG 4.2Å; Y76-W143 HydrophobicContact CE2-CZ2 4.45Å; Y76-W143 AromaticContact CG-CD2 3.98Å; Y76-W143 HydrophobicContact CG-CD2 3.98Å; Y76-W143 AromaticContact CG-CE3 3.54Å; Y76-W143 HydrophobicContact CG-CE3 3.54Å; Y76-W143 AromaticContact CG-CZ3 3.88Å; Y76-W143 HydrophobicContact CG-CZ3 3.88Å; Y76-W143 AromaticContact CZ-CD1 3.82Å; Y76-W143 AromaticContact CZ-CD2 3.72Å; Y76-W143 AromaticContact CZ-CG 3.58Å; W122-W143 HydrophobicContact CB-CE3 4.05Å; W122-W143 HydrophobicContact CB-CZ3 4.12Å; W122-W143 HydrophobicContact CG-CE3 4.46Å; W122-W143 WeakPolarHBondContact O-CA 3.41Å; L123-W143 HydrophobicContact CD1-CH2 4.13Å; L123-W143 HydrophobicContact CD1-CZ3 4.18Å; L123-W143 HydrophobicContact CD2-CD2 4.38Å; L123-W143 HydrophobicContact CD2-CE3 4.07Å; L123-W143 HydrophobicContact CD2-CH2 3.9Å; L123-W143 HydrophobicContact CD2-CZ2 4.27Å; L123-W143 HydrophobicContact CD2-CZ3 3.82Å; L123-W143 HydrophobicContact CG-CE3 4.41Å; L123-W143 HydrophobicContact CG-CH2 4.22Å; L123-W143 HydrophobicContact CG-CZ3 3.91Å; A136-W143 HydrophobicContact CB-CH2 3.95Å; A136-W143 HydrophobicContact CB-CZ2 3.63Å; W143-V145 PolarHBondContact O-N 2.98Å
144	G	93.9	Very high	94.6	Very high	38 Å²	38	48 Å²	48	39%	0.392	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	10.3	178.5	0	0	0	0	0	114.4	I121 W122 G142	I121-G144 WeakPolarHBondContact O-CA 3.42Å; W122-G144 PolarHBondContact O-N 3.43Å; G142-G144 PolarHBondContact O-N 3.5Å
145	V	95.9	Very high	94.9	Very high	83 Å²	83	47.4 Å²	47.4	50%	0.503	28%	0.275	S	S	.	.			trans	-98.5	103.7	177.5	-178	0	0	0	0	108.1	N141 G142 W143	N141-V145 HydrophobicContact CB-CB 4.41Å; N141-V145 HydrophobicContact CB-CG1 4.26Å; N141-V145 WeakPolarHBondContact CB-O 3.07Å; G142-V145 PolarHBondContact O-N 3.14Å; W143-V145 PolarHBondContact O-N 2.98Å
146	T	95.6	Very high	95	Very high	49 Å²	49	47.4 Å²	47.4	30%	0.301	28%	0.275	S	S	.	.			trans	-155.9	151	-176.2	-175.6	0	0	0	0	111.8	I121 D124 C148	I121-T146 HydrophobicContact CB-CG2 3.72Å; I121-T146 HydrophobicContact CD1-CG2 4.45Å; I121-T146 HydrophobicContact CG2-CG2 4.09Å; D124-T146 VanDerWaalsContact CG-OG1 3.26Å; D124-T146 WeakPolarHBondContact OD2-CA 3.26Å; D124-T146 WeakPolarHBondContact OD2-CB 3.36Å; D124-T146 PolarHBondContact OD2-OG1 3.27Å; T146-C148 VanDerWaalsContact OG1-CB 3.31Å; T146-C148 WeakPolarHBondContact OG1-CB 3.4Å; T146-C148 PolarHBondContact OG1-N 2.83Å; T146-C148 PolarHBondContact OG1-SG 3.4Å
147	D	94.3	Very high	95	Very high	134 Å²	134	47.5 Å²	47.5	72%	0.717	27%	0.274	S	S	*	.			trans	-107	0.1	166.5	59.4	-20.2	0	0	0	113.3
148	C	96.1	Very high	94.9	Very high	14 Å²	14	45.7 Å²	45.7	10%	0.095	26%	0.259	C	S	.	.			trans	-69	162.2	175.6	-56.2	0	0	0	0	113.2	C84 I121 D124 T146 E152	C84-C148 HydrophobicContact CB-CB 3.71Å; C84-C148 WeakPolarHBondContact CB-SG 3.5Å; C84-C148 WeakPolarHBondContact SG-CB 3.07Å; C84-C148 CovalentContact SG-SG 2.02Å; C84-C148 PolarHBondContact SG-SG 3.08Å; I121-C148 HydrophobicContact CD1-CB 4.01Å; I121-C148 WeakPolarHBondContact CD1-O 3.48Å; D124-C148 PolarHBondContact OD1-SG 2.92Å; D124-C148 VanDerWaalsContact OD1-SG 3.41Å; T146-C148 VanDerWaalsContact OG1-CB 3.31Å; T146-C148 WeakPolarHBondContact OG1-CB 3.4Å; T146-C148 PolarHBondContact OG1-N 2.83Å; T146-C148 PolarHBondContact OG1-SG 3.4Å; C148-E152 WeakPolarHBondContact CA-OE2 3.28Å; C148-E152 HydrophobicContact CB-CB 4.16Å
149	K	95.9	Very high	94.5	Very high	148 Å²	148	45.4 Å²	45.4	64%	0.643	26%	0.257	S	S	*	.			trans	-115.5	166.8	169.7	-63.3	173.3	-172.3	166.5	0	109.6	T151 E152	K149-T151 PolarHBondContact O-N 3.25Å; K149-E152 PolarHBondContact N-OE2 2.89Å; K149-E152 WeakPolarHBondContact O-CB 3.15Å; K149-E152 PolarHBondContact O-N 3.23Å
150	H	96.8	Very high	93.7	Very high	44 Å²	44	44.4 Å²	44.4	20%	0.204	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	10.3	171.1	-65.3	-53.7	0	0	0	114.5	T82 S112 K116 G117 G119 E152 D153	T82-H150 PolarHBondContact OG1-CE1 2.88Å; T82-H150 PolarHBondContact OG1-ND1 3.14Å; S112-H150 PolarHBondContact OG-O 3.18Å; K116-H150 HydrophobicContact CB-CB 3.99Å; K116-H150 VanDerWaalsContact CB-O 3.28Å; K116-H150 WeakPolarHBondContact CB-O 3.2Å; K116-H150 WeakPolarHBondContact CD-O 3.35Å; K116-H150 WeakPolarHBondContact CG-O 3.5Å; G117-H150 PolarHBondContact O-CD2 3.24Å; G117-H150 VanDerWaalsContact O-CD2 3.29Å; G119-H150 PolarHBondContact N-NE2 2.92Å; G119-H150 PolarHBondContact O-CE1 3.13Å; G119-H150 PolarHBondContact O-NE2 2.95Å; H150-E152 VanDerWaalsContact C-N 3.27Å; H150-D153 WeakPolarHBondContact CB-OD2 3.17Å; H150-D153 IonicContact CG-OD1 3.61Å; H150-D153 IonicContact CG-OD2 3.47Å; H150-D153 IonicContact ND1-OD1 2.77Å; H150-D153 PolarHBondContact ND1-OD1 2.74Å; H150-D153 IonicContact ND1-OD2 3.54Å; H150-D153 PolarHBondContact ND1-OD2 3.09Å
151	T	94.9	Very high	92.9	Very high	57 Å²	57	49.5 Å²	49.5	35%	0.35	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-14.3	161.2	38.9	0	0	0	0	112	S111 S112 K116 K149	S111-T151 CarbonylContact C-O 3.58Å; S111-T151 WeakPolarHBondContact CA-O 3.25Å; S112-T151 PolarHBondContact N-O 3.18Å; S112-T151 PolarHBondContact OG-O 2.99Å; K116-T151 HydrophobicContact CD-CG2 4.34Å; K116-T151 VanDerWaalsContact CE-CG2 3.46Å; K149-T151 PolarHBondContact O-N 3.25Å
152	E	96.8	Very high	92.2	Very high	57 Å²	57	47.7 Å²	47.7	27%	0.266	25%	0.253	S	S	.	.	S	Bend	trans	-114	12.7	-172.6	-70.6	153.8	140.3	0	0	111	C84 D85 S112 C148 K149 H150 V154	C84-E152 CarbonylContact C-O 3.49Å; C84-E152 WeakPolarHBondContact CA-O 3.4Å; D85-E152 WeakPolarHBondContact CB-O 3.34Å; D85-E152 PolarHBondContact N-O 2.73Å; D85-E152 VanDerWaalsContact OD1-CB 3.29Å; D85-E152 WeakPolarHBondContact OD1-CB 3.35Å; S112-E152 PolarHBondContact OG-N 2.8Å; C148-E152 WeakPolarHBondContact CA-OE2 3.28Å; C148-E152 HydrophobicContact CB-CB 4.16Å; K149-E152 PolarHBondContact N-OE2 2.89Å; K149-E152 WeakPolarHBondContact O-CB 3.15Å; K149-E152 PolarHBondContact O-N 3.23Å; H150-E152 VanDerWaalsContact C-N 3.27Å; E152-V154 PolarHBondContact O-N 3.46Å
153	D	97.3	Very high	91.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-65.4	135.2	175.4	-63.3	-36.5	0	0	0	111.1	R71 T82 V83 S112 G117 H150	R71-D153 HydrophobicContact CG-CB 4.12Å; T82-D153 WeakPolarHBondContact CB-OD1 3.26Å; T82-D153 HydrophobicContact CG2-CB 4.43Å; T82-D153 PolarHBondContact OG1-OD1 2.86Å; V83-D153 WeakPolarHBondContact O-CA 3.41Å; S112-D153 VanDerWaalsContact CA-O 3.22Å; S112-D153 WeakPolarHBondContact CA-O 3.13Å; S112-D153 PolarHBondContact N-O 3.3Å; S112-D153 WeakPolarHBondContact OG-CB 3.42Å; S112-D153 PolarHBondContact OG-N 2.72Å; G117-D153 WeakPolarHBondContact CA-OD2 3.38Å; G117-D153 PolarHBondContact N-OD2 3.05Å; H150-D153 WeakPolarHBondContact CB-OD2 3.17Å; H150-D153 IonicContact CG-OD1 3.61Å; H150-D153 IonicContact CG-OD2 3.47Å; H150-D153 IonicContact ND1-OD1 2.77Å; H150-D153 PolarHBondContact ND1-OD1 2.74Å; H150-D153 IonicContact ND1-OD2 3.54Å; H150-D153 PolarHBondContact ND1-OD2 3.09Å
154	V	97.1	Very high	89.8	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.259	C	S	.	.			trans	-85	143.4	-176.5	79.9	0	0	0	0	113.3	R71 V72 V83 D85 F88 W108 T109 E152	R71-V154 WeakPolarHBondContact CA-O 2.98Å; V72-V154 HydrophobicContact CB-CG1 4Å; V72-V154 HydrophobicContact CG2-CG1 3.95Å; V72-V154 PolarHBondContact N-O 3.04Å; V83-V154 HydrophobicContact CB-CG1 3.75Å; V83-V154 HydrophobicContact CG1-CG1 3.92Å; V83-V154 PolarHBondContact O-N 2.87Å; D85-V154 HydrophobicContact CB-CB 4.22Å; D85-V154 HydrophobicContact CB-CG2 4.24Å; F88-V154 HydrophobicContact CB-CG2 4.23Å; F88-V154 HydrophobicContact CD1-CG2 3.57Å; F88-V154 HydrophobicContact CD2-CB 4.36Å; F88-V154 HydrophobicContact CD2-CG1 4Å; F88-V154 HydrophobicContact CD2-CG2 4.01Å; F88-V154 HydrophobicContact CE1-CG2 3.79Å; F88-V154 HydrophobicContact CE2-CG1 3.8Å; F88-V154 HydrophobicContact CE2-CG2 4.22Å; F88-V154 HydrophobicContact CG-CB 4.44Å; F88-V154 HydrophobicContact CG-CG2 3.68Å; F88-V154 HydrophobicContact CZ-CG1 4.15Å; F88-V154 HydrophobicContact CZ-CG2 4.12Å; W108-V154 HydrophobicContact CE3-CG2 3.7Å; W108-V154 HydrophobicContact CZ3-CG2 4.17Å; T109-V154 WeakPolarHBondContact O-CG2 3.49Å; E152-V154 PolarHBondContact O-N 3.46Å
155	G	95.9	Very high	88.1	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	153.2	169.4	0	0	0	0	0	113	G70 W108 T109	G70-G155 WeakPolarHBondContact O-CA 3.35Å; W108-G155 CarbonylContact C-O 3Å; W108-G155 VanDerWaalsContact CA-O 3.3Å; W108-G155 WeakPolarHBondContact CA-O 3.22Å; W108-G155 WeakPolarHBondContact CB-O 3.37Å; T109-G155 PolarHBondContact N-O 3.12Å; T109-G155 PolarHBondContact O-N 3.26Å; T109-G155 WeakPolarHBondContact OG1-CA 3.35Å
156	V	95.8	Very high	86.6	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	149.1	172.6	-61.4	0	0	0	0	111.9	L60 E69 G70 V72 F88 A93 V96 W108	L60-V156 HydrophobicContact CD1-CG2 4.38Å; L60-V156 HydrophobicContact CD2-CG2 3.39Å; E69-V156 VanDerWaalsContact CA-O 3.22Å; E69-V156 WeakPolarHBondContact CA-O 3Å; E69-V156 WeakPolarHBondContact CB-O 3.44Å; G70-V156 PolarHBondContact N-O 3.31Å; G70-V156 VanDerWaalsContact N-O 3.12Å; G70-V156 PolarHBondContact O-N 2.97Å; V72-V156 HydrophobicContact CG2-CB 4.26Å; V72-V156 HydrophobicContact CG2-CG1 3.62Å; V72-V156 HydrophobicContact CG2-CG2 3.78Å; F88-V156 HydrophobicContact CE1-CG1 4.15Å; F88-V156 HydrophobicContact CZ-CG1 4.01Å; A93-V156 HydrophobicContact CB-CG1 3.91Å; V96-V156 HydrophobicContact CB-CG1 4.47Å; V96-V156 HydrophobicContact CG1-CG1 4.37Å; V96-V156 HydrophobicContact CG1-CG2 3.8Å; W108-V156 HydrophobicContact CB-CG1 4.31Å
157	V	92.9	Very high	84.9	Confident	18 Å²	18	49.9 Å²	49.9	11%	0.109	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	110.8	172.2	-176.2	0	0	0	0	108.3	E69 K106 S107 Y114	E69-V157 HydrophobicContact CB-CB 4.33Å; E69-V157 HydrophobicContact CB-CG1 4.33Å; E69-V157 HydrophobicContact CB-CG2 4.11Å; K106-V157 HydrophobicContact CB-CG1 4.28Å; K106-V157 PolarHBondContact N-O 3.13Å; S107-V157 PolarHBondContact N-O 2.9Å; S107-V157 PolarHBondContact O-N 2.89Å; S107-V157 WeakPolarHBondContact OG-CB 3.2Å; S107-V157 WeakPolarHBondContact OG-CG2 3.26Å; Y114-V157 WeakPolarHBondContact OH-CG2 3.34Å
158	C	91	Very high	83.2	Confident	1 Å²	1	46.3 Å²	46.3	1%	0.007	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	160.4	177.4	-54.4	0	0	0	0	111.8	S68 C97 Y102	S68-C158 VanDerWaalsContact O-CB 3.29Å; S68-C158 WeakPolarHBondContact O-CB 3.06Å; S68-C158 PolarHBondContact O-N 2.88Å; C97-C158 VanDerWaalsContact CA-SG 3.51Å; C97-C158 HydrophobicContact CB-CB 3.84Å; C97-C158 WeakPolarHBondContact CB-SG 3.47Å; C97-C158 WeakPolarHBondContact SG-CA 3.45Å; C97-C158 WeakPolarHBondContact SG-CB 3.29Å; C97-C158 CovalentContact SG-SG 2.05Å; C97-C158 PolarHBondContact SG-SG 3.17Å; Y102-C158 HydrophobicContact CD1-CB 3.93Å; Y102-C158 HydrophobicContact CD2-CB 3.53Å; Y102-C158 VanDerWaalsContact CD2-SG 3.56Å; Y102-C158 HydrophobicContact CE1-CB 4.34Å; Y102-C158 HydrophobicContact CE2-CB 4.02Å; Y102-C158 HydrophobicContact CG-CB 3.46Å; Y102-C158 VanDerWaalsContact CG-CB 3.46Å
159	S	86.3	Confident	81.2	Confident	3 Å²	3	50.7 Å²	50.7	2%	0.021	25%	0.254	C	S	.	.			trans	-68.3	152.3	169.1	71.8	0	0	0	0	111	Y102 E104 K161	Y102-S159 WeakPolarHBondContact CD1-O 3.48Å; E104-S159 PolarHBondContact O-N 3Å; E104-S159 PolarHBondContact O-OG 3.39Å; S159-K161 PolarHBondContact O-N 3.16Å
160	D	77	Confident	79.1	Confident	81 Å²	81	46.6 Å²	46.6	43%	0.433	24%	0.239	S	C	.	.	S	Bend	trans	-73.4	-4.6	176.6	-52.6	-60.6	0	0	0	112.4	H67 S68 K106	H67-D160 IonicContact CE1-OD1 2.79Å; S68-D160 PolarHBondContact OG-OD1 2.89Å; K106-D160 IonicContact NZ-OD2 3.02Å; K106-D160 PolarHBondContact NZ-OD2 3.09Å
161	K	77.9	Confident	77	Confident	143 Å²	143	47.4 Å²	47.4	62%	0.622	25%	0.249	S	C	*	.	P	Polyproline II helix	trans	-84.6	126.4	179.1	-64.8	179.1	-176	170.4	0	109.8	Y102 V103 S159	Y102-K161 WeakPolarHBondContact CA-O 3.42Å; V103-K161 HydrophobicContact CB-CB 4.18Å; V103-K161 HydrophobicContact CG2-CB 3.74Å; V103-K161 WeakPolarHBondContact CG2-O 3.39Å; V103-K161 PolarHBondContact N-O 3.11Å; S159-K161 PolarHBondContact O-N 3.16Å
162	R	77.6	Confident	75	Confident	38 Å²	38	48 Å²	48	14%	0.143	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-85.9	146.4	171.8	-67.5	-67.3	-169.1	-161.3	-9.9	111.5	L100 G101 Y102 P164	L100-R162 PolarHBondContact O-NH1 3.42Å; G101-R162 WeakPolarHBondContact O-CA 3.41Å; G101-R162 WeakPolarHBondContact O-CD 3.44Å; Y102-R162 VanDerWaalsContact CD1-NH1 3.29Å; Y102-R162 VanDerWaalsContact CZ-NH2 3.27Å; Y102-R162 PolarHBondContact OH-NH1 3.36Å; Y102-R162 PolarHBondContact OH-NH2 2.78Å; R162-P164 VanDerWaalsContact O-CD 3.3Å; R162-P164 WeakPolarHBondContact O-CD 3.46Å
163	I	73.1	Confident	72.7	Confident	15 Å²	15	49.2 Å²	49.2	8%	0.077	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-68.7	118.9	169.4	-63	171	0	0	0	108	Y44 R98 G101 Y102 V103 G165 F166	Y44-I163 HydrophobicContact CD1-CG2 3.69Å; Y44-I163 HydrophobicContact CD2-CG2 3.7Å; Y44-I163 HydrophobicContact CE1-CD1 4.47Å; Y44-I163 HydrophobicContact CE1-CG2 4.1Å; Y44-I163 HydrophobicContact CE2-CD1 4.26Å; Y44-I163 HydrophobicContact CE2-CG2 4.15Å; Y44-I163 HydrophobicContact CG-CG2 3.45Å; Y44-I163 VanDerWaalsContact CG-CG2 3.45Å; R98-I163 HydrophobicContact CG-CD1 3.83Å; G101-I163 PolarHBondContact O-N 2.91Å; Y102-I163 VanDerWaalsContact O-CD1 3.25Å; Y102-I163 WeakPolarHBondContact O-CD1 3.47Å; Y102-I163 WeakPolarHBondContact O-CG1 2.98Å; V103-I163 HydrophobicContact CG2-CG1 4.19Å; I163-G165 PolarHBondContact O-N 2.05Å; I163-F166 HydrophobicContact CB-CB 4.09Å; I163-F166 HydrophobicContact CB-CD2 4.24Å; I163-F166 HydrophobicContact CD1-CD2 4.13Å; I163-F166 HydrophobicContact CD1-CE2 4.5Å; I163-F166 HydrophobicContact CG2-CB 4.3Å; I163-F166 HydrophobicContact CG2-CD2 4.39Å; I163-F166 WeakPolarHBondContact O-CB 3.44Å; I163-F166 PolarHBondContact O-N 3.19Å
164	P	63.9	Low	70.2	Confident	86 Å²	86	56.7 Å²	56.7	56%	0.558	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	130.3	-179.4	-22.7	34.1	0	0	0	112.1	R162 F166	R162-P164 VanDerWaalsContact O-CD 3.3Å; R162-P164 WeakPolarHBondContact O-CD 3.46Å; P164-F166 VanDerWaalsContact C-N 3.31Å
165	G	58.2	Low	67.8	Low	27 Å²	27	64.8 Å²	64.8	28%	0.278	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	10.2	178.6	0	0	0	0	0	115.2	I163 E184	I163-G165 PolarHBondContact O-N 2.05Å; G165-E184 WeakPolarHBondContact CA-OE1 3.23Å; G165-E184 VanDerWaalsContact N-CD 3.35Å; G165-E184 PolarHBondContact N-OE1 3.09Å; G165-E184 PolarHBondContact N-OE2 2.91Å
166	F	64.3	Low	65.3	Low	25 Å²	25	67.2 Å²	67.2	11%	0.11	35%	0.348	C	S	.	.			trans	-60.5	136.2	-179.7	-173.7	-88.9	0	0	0	111.9	Y44 Q46 R98 E99 I163 P164 F168 E184	Y44-F166 HydrophobicContact CD1-CD2 4.06Å; Y44-F166 AromaticContact CE1-CD2 3.52Å; Y44-F166 HydrophobicContact CE1-CD2 3.52Å; Y44-F166 AromaticContact CE1-CE2 3.89Å; Y44-F166 HydrophobicContact CE1-CE2 3.89Å; Q46-F166 HydrophobicContact CG-CE2 4.2Å; R98-F166 WeakPolarHBondContact O-CE2 3.29Å; E99-F166 VanDerWaalsContact O-CZ 3.28Å; E99-F166 WeakPolarHBondContact O-CZ 3.46Å; I163-F166 HydrophobicContact CB-CB 4.09Å; I163-F166 HydrophobicContact CB-CD2 4.24Å; I163-F166 HydrophobicContact CD1-CD2 4.13Å; I163-F166 HydrophobicContact CD1-CE2 4.5Å; I163-F166 HydrophobicContact CG2-CB 4.3Å; I163-F166 HydrophobicContact CG2-CD2 4.39Å; I163-F166 WeakPolarHBondContact O-CB 3.44Å; I163-F166 PolarHBondContact O-N 3.19Å; P164-F166 VanDerWaalsContact C-N 3.31Å; F166-F168 HydrophobicContact CD1-CD2 4.24Å; F166-F168 HydrophobicContact CD1-CE2 4.18Å; F166-F168 HydrophobicContact CE1-CD1 4.1Å; F166-F168 AromaticContact CE1-CD2 3.71Å; F166-F168 HydrophobicContact CE1-CD2 3.71Å; F166-F168 AromaticContact CE1-CE1 4Å; F166-F168 HydrophobicContact CE1-CE1 4Å; F166-F168 AromaticContact CE1-CE2 3.59Å; F166-F168 HydrophobicContact CE1-CE2 3.59Å; F166-F168 AromaticContact CE1-CG 3.97Å; F166-F168 HydrophobicContact CE1-CG 3.97Å; F166-F168 AromaticContact CE1-CZ 3.74Å; F166-F168 HydrophobicContact CE1-CZ 3.74Å; F166-F168 HydrophobicContact CZ-CE1 4.38Å; F166-F168 HydrophobicContact CZ-CZ 4.41Å; F166-E184 PolarHBondContact N-OE1 3.41Å
167	K	59.5	Low	62.9	Low	156 Å²	156	74.8 Å²	74.8	68%	0.678	38%	0.383	S	S	*	.			trans	-131.1	132.3	176.3	-63.7	-178.4	-176	175.2	0	109	Q46	Q46-K167 VanDerWaalsContact CD-O 3.3Å; Q46-K167 PolarHBondContact NE2-O 2.85Å; Q46-K167 PolarHBondContact OE1-O 3.1Å; Q46-K167 VanDerWaalsContact OE1-O 3.13Å
168	F	57.9	Low	60.5	Low	60 Å²	60	77 Å²	77	26%	0.263	39%	0.394	S	S	.	.			trans	-74.3	143.6	169.2	-79.2	-83.8	0	0	0	110.5	E99 F166 N170 N180 Q182	E99-F168 WeakPolarHBondContact O-CE1 2.96Å; F166-F168 HydrophobicContact CD1-CD2 4.24Å; F166-F168 HydrophobicContact CD1-CE2 4.18Å; F166-F168 HydrophobicContact CE1-CD1 4.1Å; F166-F168 AromaticContact CE1-CD2 3.71Å; F166-F168 HydrophobicContact CE1-CD2 3.71Å; F166-F168 AromaticContact CE1-CE1 4Å; F166-F168 HydrophobicContact CE1-CE1 4Å; F166-F168 AromaticContact CE1-CE2 3.59Å; F166-F168 HydrophobicContact CE1-CE2 3.59Å; F166-F168 AromaticContact CE1-CG 3.97Å; F166-F168 HydrophobicContact CE1-CG 3.97Å; F166-F168 AromaticContact CE1-CZ 3.74Å; F166-F168 HydrophobicContact CE1-CZ 3.74Å; F166-F168 HydrophobicContact CZ-CE1 4.38Å; F166-F168 HydrophobicContact CZ-CZ 4.41Å; F168-N170 PolarHBondContact O-N 3.11Å; F168-N180 WeakPolarHBondContact CE2-O 3.3Å; F168-Q182 HydrophobicContact CE2-CG 4.47Å
169	D	54.8	Low	58.2	Low	106 Å²	106	79 Å²	79	57%	0.567	41%	0.405	S	S	*	.			trans	-71.2	110.6	167.3	-176.2	10.1	0	0	0	109.4	S171	D169-S171 VanDerWaalsContact CG-OG 3.24Å; D169-S171 PolarHBondContact O-N 3.06Å; D169-S171 VanDerWaalsContact OD1-CB 3.24Å; D169-S171 WeakPolarHBondContact OD1-CB 3.41Å; D169-S171 PolarHBondContact OD1-N 3.49Å; D169-S171 PolarHBondContact OD1-OG 3.42Å; D169-S171 PolarHBondContact OD2-OG 2.94Å
170	N	51.1	Low	56.2	Low	62 Å²	62	81.1 Å²	81.1	33%	0.332	42%	0.416	S	S	.	.			trans	-85.1	14	-177.4	-87.9	-4.7	0	0	0	112.8	F168 L172 I173	F168-N170 PolarHBondContact O-N 3.11Å; N170-L172 PolarHBondContact O-N 2.92Å; N170-L172 VanDerWaalsContact O-N 3.14Å; N170-I173 HydrophobicContact CB-CD1 3.39Å; N170-I173 HydrophobicContact CB-CG1 4.14Å; N170-I173 VanDerWaalsContact CG-CD1 3.43Å; N170-I173 WeakPolarHBondContact O-CB 3.36Å; N170-I173 WeakPolarHBondContact O-CD1 3.12Å; N170-I173 WeakPolarHBondContact O-CG1 3.05Å; N170-I173 PolarHBondContact O-N 3.5Å
171	S	52.8	Low	55	Low	60 Å²	60	78.8 Å²	78.8	42%	0.42	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-4.1	-173.8	66	0	0	0	0	115.8	K55 D169	K55-S171 PolarHBondContact NZ-OG 2.88Å; D169-S171 VanDerWaalsContact CG-OG 3.24Å; D169-S171 PolarHBondContact O-N 3.06Å; D169-S171 VanDerWaalsContact OD1-CB 3.24Å; D169-S171 WeakPolarHBondContact OD1-CB 3.41Å; D169-S171 PolarHBondContact OD1-N 3.49Å; D169-S171 PolarHBondContact OD1-OG 3.42Å; D169-S171 PolarHBondContact OD2-OG 2.94Å
172	L	53.5	Low	53.9	Low	71 Å²	71	73.5 Å²	73.5	37%	0.372	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	7.1	174.5	-71.7	168.9	0	0	0	113.8	K55 Q57 N170 N174	K55-L172 HydrophobicContact CB-CD1 3.99Å; K55-L172 HydrophobicContact CB-CD2 4.25Å; K55-L172 HydrophobicContact CB-CG 4.3Å; Q57-L172 HydrophobicContact CG-CD1 4.06Å; N170-L172 PolarHBondContact O-N 2.92Å; N170-L172 VanDerWaalsContact O-N 3.14Å; L172-N174 PolarHBondContact O-N 3.32Å
173	I	48.9	Very low	52.9	Low	82 Å²	82	72.2 Å²	72.2	42%	0.421	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	103.3	-176	-65.6	175	0	0	0	110.9	N170 L179	N170-I173 HydrophobicContact CB-CD1 3.39Å; N170-I173 HydrophobicContact CB-CG1 4.14Å; N170-I173 VanDerWaalsContact CG-CD1 3.43Å; N170-I173 WeakPolarHBondContact O-CB 3.36Å; N170-I173 WeakPolarHBondContact O-CD1 3.12Å; N170-I173 WeakPolarHBondContact O-CG1 3.05Å; N170-I173 PolarHBondContact O-N 3.5Å; I173-L179 HydrophobicContact CD1-CD1 4.26Å; I173-L179 HydrophobicContact CG1-CD1 4.19Å
174	N	45.5	Very low	52.4	Low	157 Å²	157	73.4 Å²	73.4	84%	0.84	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-151.9	-14	141.8	-96	-25.1	0	0	0	113.9	L172	L172-N174 PolarHBondContact O-N 3.32Å
175	Q	46.3	Very low	52.9	Low	170 Å²	170	72.7 Å²	72.7	79%	0.794	37%	0.374	S	S	*	.	S	Bend	trans	-149.7	117	170.6	-67.5	-178.8	-26.1	0	0	107.5
176	I	43.2	Very low	54.2	Low	51 Å²	51	72.1 Å²	72.1	26%	0.262	36%	0.364	S	S	.	.			trans	174.2	121.8	150.1	-80	137.1	0	0	0	107.2	Y75 N178	Y75-I176 HydrophobicContact CD1-CD1 3.66Å; Y75-I176 HydrophobicContact CD2-CD1 4.32Å; Y75-I176 HydrophobicContact CE1-CD1 3.18Å; Y75-I176 HydrophobicContact CE1-CG1 4.23Å; Y75-I176 HydrophobicContact CE2-CD1 3.89Å; Y75-I176 HydrophobicContact CE2-CG1 4.14Å; Y75-I176 HydrophobicContact CG-CD1 4.18Å; Y75-I176 WeakPolarHBondContact OH-CD1 3.07Å; I176-N178 HydrophobicContact CG2-CB 4.24Å; I176-N178 PolarHBondContact O-N 3.38Å
177	E	44.3	Very low	55.4	Low	158 Å²	158	75 Å²	75	74%	0.738	38%	0.375	S	S	*	.	S	Bend	trans	-75.1	6.8	-176.9	-62.8	-179.1	158.5	0	0	114.7
178	N	42.9	Very low	57	Low	65 Å²	65	68.5 Å²	68.5	35%	0.348	35%	0.347	S	S	.	.			trans	-135.8	53.6	-169.6	-73.6	-28.2	0	0	0	112.6	I176 N180	I176-N178 HydrophobicContact CG2-CB 4.24Å; I176-N178 PolarHBondContact O-N 3.38Å; N178-N180 PolarHBondContact O-N 2.84Å
179	L	43.9	Very low	58.6	Low	43 Å²	43	70 Å²	70	23%	0.225	35%	0.351	C	S	.	.			trans	-71.9	114.3	166.5	-87.1	160.6	0	0	0	109.4	I173 I181 L277	I173-L179 HydrophobicContact CD1-CD1 4.26Å; I173-L179 HydrophobicContact CG1-CD1 4.19Å; L179-I181 HydrophobicContact CB-CG1 4.29Å; L179-I181 PolarHBondContact O-N 3.45Å; L179-L277 HydrophobicContact CB-CD1 3.94Å; L179-L277 WeakPolarHBondContact O-CD1 3.35Å; L179-L277 WeakPolarHBondContact O-CG 3.41Å
180	N	44.7	Very low	60.3	Low	47 Å²	47	65.6 Å²	65.6	25%	0.251	33%	0.329	S	S	.	.			trans	-69.2	66.2	165.4	-91.6	-23.2	0	0	0	109.8	F168 N178 Q182	F168-N180 WeakPolarHBondContact CE2-O 3.3Å; N178-N180 PolarHBondContact O-N 2.84Å; N180-Q182 VanDerWaalsContact C-N 3.26Å; N180-Q182 HydrophobicContact CB-CG 4.46Å; N180-Q182 VanDerWaalsContact CG-NE2 3.3Å; N180-Q182 PolarHBondContact O-N 2.57Å; N180-Q182 PolarHBondContact OD1-NE2 2.99Å
181	I	50.1	Low	62	Low	33 Å²	33	63.4 Å²	63.4	17%	0.169	32%	0.317	C	S	.	.			trans	-72	95.3	166.6	-58	179.4	0	0	0	106.6	L179 V183 W259 F261 L277	L179-I181 HydrophobicContact CB-CG1 4.29Å; L179-I181 PolarHBondContact O-N 3.45Å; I181-V183 PolarHBondContact O-N 2.94Å; I181-V183 VanDerWaalsContact O-N 3.13Å; I181-W259 HydrophobicContact CB-CZ2 4.38Å; I181-W259 HydrophobicContact CG2-CH2 4.45Å; I181-W259 HydrophobicContact CG2-CZ2 3.68Å; I181-F261 HydrophobicContact CD1-CD1 3.81Å; I181-F261 HydrophobicContact CD1-CD2 3.54Å; I181-F261 HydrophobicContact CD1-CE1 3.45Å; I181-F261 VanDerWaalsContact CD1-CE1 3.45Å; I181-F261 HydrophobicContact CD1-CE2 3.18Å; I181-F261 HydrophobicContact CD1-CG 3.85Å; I181-F261 HydrophobicContact CD1-CZ 3.13Å; I181-L277 HydrophobicContact CB-CD1 3.58Å; I181-L277 HydrophobicContact CB-CD2 4.49Å; I181-L277 HydrophobicContact CD1-CD1 3.46Å; I181-L277 VanDerWaalsContact CD1-CD1 3.46Å; I181-L277 HydrophobicContact CG1-CD1 3.37Å
182	Q	54.7	Low	63.5	Low	31 Å²	31	62.3 Å²	62.3	15%	0.145	31%	0.307	C	S	.	.			trans	-72.5	109	-176.2	-65.2	-58.9	-25.8	0	0	109.2	F168 N180 E184	F168-Q182 HydrophobicContact CE2-CG 4.47Å; N180-Q182 VanDerWaalsContact C-N 3.26Å; N180-Q182 HydrophobicContact CB-CG 4.46Å; N180-Q182 VanDerWaalsContact CG-NE2 3.3Å; N180-Q182 PolarHBondContact O-N 2.57Å; N180-Q182 PolarHBondContact OD1-NE2 2.99Å; Q182-E184 PolarHBondContact O-N 2.95Å; Q182-E184 VanDerWaalsContact O-N 3.11Å
183	V	58.3	Low	64.7	Low	12 Å²	12	63.5 Å²	63.5	7%	0.073	32%	0.321	C	S	.	.			trans	-53.5	111.2	169	172.1	0	0	0	0	108.2	I181 D185 I186 V208 W259 M263 I272	I181-V183 PolarHBondContact O-N 2.94Å; I181-V183 VanDerWaalsContact O-N 3.13Å; V183-D185 VanDerWaalsContact C-N 3.3Å; V183-D185 PolarHBondContact O-N 3.44Å; V183-I186 HydrophobicContact CG1-CB 3.89Å; V183-I186 HydrophobicContact CG1-CG2 4.47Å; V183-V208 HydrophobicContact CG1-CG1 4.01Å; V183-V208 HydrophobicContact CG1-CG2 4.17Å; V183-V208 HydrophobicContact CG2-CG1 4.37Å; V183-V208 HydrophobicContact CG2-CG2 4.34Å; V183-W259 HydrophobicContact CG2-CH2 4.28Å; V183-W259 HydrophobicContact CG2-CZ2 4.48Å; V183-M263 HydrophobicContact CG2-CE 3.76Å; V183-I272 HydrophobicContact CB-CG2 4.48Å; V183-I272 HydrophobicContact CG2-CG2 4.24Å
184	E	62	Low	65.9	Low	39 Å²	39	62.3 Å²	62.3	18%	0.182	32%	0.323	C	S	.	.	S	Bend	trans	-59.7	-44.9	179.1	-72	-179.9	-162.4	0	0	111.1	G165 F166 Q182	G165-E184 WeakPolarHBondContact CA-OE1 3.23Å; G165-E184 VanDerWaalsContact N-CD 3.35Å; G165-E184 PolarHBondContact N-OE1 3.09Å; G165-E184 PolarHBondContact N-OE2 2.91Å; F166-E184 PolarHBondContact N-OE1 3.41Å; Q182-E184 PolarHBondContact O-N 2.95Å; Q182-E184 VanDerWaalsContact O-N 3.11Å
185	D	73.7	Confident	67.3	Low	72 Å²	72	56.8 Å²	56.8	39%	0.385	29%	0.291	S	S	.	.			trans	-160.2	149.6	-178.9	-165.7	1.4	0	0	0	108.9	V183 V208 K209 W214	V183-D185 VanDerWaalsContact C-N 3.3Å; V183-D185 PolarHBondContact O-N 3.44Å; D185-V208 WeakPolarHBondContact O-CA 3.39Å; D185-K209 HydrophobicContact CB-CB 3.74Å; D185-K209 HydrophobicContact CB-CD 3.76Å; D185-K209 HydrophobicContact CB-CG 4.44Å; D185-K209 PolarHBondContact O-N 3.22Å; D185-W214 HydrophobicContact CB-CH2 3.95Å; D185-W214 WeakPolarHBondContact OD2-CH2 3.38Å
186	I	85.5	Confident	68.6	Low	15 Å²	15	56 Å²	56	8%	0.077	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	146.6	-178.9	-172.5	166.7	0	0	0	109.4	V183 V206 E207 V230 M233 F234 I272	V183-I186 HydrophobicContact CG1-CB 3.89Å; V183-I186 HydrophobicContact CG1-CG2 4.47Å; I186-V206 HydrophobicContact CD1-CG1 3.63Å; I186-V206 HydrophobicContact CG1-CG1 3.88Å; I186-E207 CarbonylContact C-O 3.56Å; I186-E207 WeakPolarHBondContact CA-O 3.27Å; I186-V230 HydrophobicContact CD1-CG2 4.49Å; I186-M233 HydrophobicContact CD1-SD 4.13Å; I186-M233 HydrophobicContact CG2-CE 3.63Å; I186-M233 HydrophobicContact CG2-SD 3.86Å; I186-F234 HydrophobicContact CB-CZ 4.43Å; I186-F234 HydrophobicContact CG1-CE2 4.31Å; I186-F234 HydrophobicContact CG1-CZ 4.32Å; I186-F234 HydrophobicContact CG2-CE2 4.19Å; I186-F234 HydrophobicContact CG2-CZ 3.85Å; I186-F234 VanDerWaalsContact O-CZ 3.3Å; I186-F234 WeakPolarHBondContact O-CZ 3.21Å; I186-I272 HydrophobicContact CD1-CD1 3.51Å; I186-I272 HydrophobicContact CD1-CG2 4.15Å
187	R	90.6	Very high	70	Confident	86 Å²	86	63 Å²	63	33%	0.325	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	155.7	174.5	73.1	-177.4	-174.6	-171.6	-4.4	113.3	E207 W214	R187-E207 HydrophobicContact CG-CB 4.11Å; R187-E207 IonicContact CZ-OE2 3.37Å; R187-E207 PolarHBondContact N-O 3.42Å; R187-E207 IonicContact NE-OE2 2.67Å; R187-E207 PolarHBondContact NE-OE2 2.92Å; R187-E207 IonicContact NH2-OE2 2.76Å; R187-E207 PolarHBondContact NH2-OE2 2.92Å; R187-E207 PolarHBondContact O-N 3.26Å; R187-W214 HydrophobicContact CB-CH2 4.08Å; R187-W214 HydrophobicContact CB-CZ3 4.01Å; R187-W214 HydrophobicContact CG-CD2 4.38Å; R187-W214 HydrophobicContact CG-CE3 3.82Å; R187-W214 HydrophobicContact CG-CH2 3.96Å; R187-W214 HydrophobicContact CG-CZ3 3.59Å
188	I	92.1	Very high	71.5	Confident	19 Å²	19	61.1 Å²	61.1	10%	0.097	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	111	165.1	-54.3	176.1	0	0	0	108.5	V201 V230 F234 F236 V299	I188-V201 HydrophobicContact CB-CG1 4.31Å; I188-V201 HydrophobicContact CG2-CG1 3.91Å; I188-V230 HydrophobicContact CG1-CG1 4.48Å; I188-F234 HydrophobicContact CD1-CB 4.13Å; I188-F234 HydrophobicContact CD1-CD2 3.57Å; I188-F234 HydrophobicContact CD1-CE2 4.18Å; I188-F234 HydrophobicContact CD1-CG 3.86Å; I188-F234 HydrophobicContact CG1-CD2 3.67Å; I188-F234 HydrophobicContact CG1-CE2 3.74Å; I188-F234 HydrophobicContact CG1-CG 4.2Å; I188-F234 HydrophobicContact CG1-CZ 4.28Å; I188-F236 HydrophobicContact CD1-CE2 4.43Å; I188-V299 HydrophobicContact CD1-CG2 3.75Å; I188-V299 HydrophobicContact CG1-CG2 3.81Å; I188-V299 HydrophobicContact CG2-CG2 4.02Å
189	R	91.9	Very high	73.4	Confident	90 Å²	90	61.5 Å²	61.5	34%	0.34	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	108.1	177.9	-176.7	179.8	178	177.8	5.1	111.4	I191 G204 Y205 E207	R189-I191 HydrophobicContact CG-CD1 4.16Å; R189-I191 PolarHBondContact O-N 3.26Å; R189-G204 WeakPolarHBondContact O-CA 3.39Å; R189-Y205 PolarHBondContact N-O 2.81Å; R189-Y205 PolarHBondContact O-N 3.26Å; R189-E207 VanDerWaalsContact CD-CD 3.49Å; R189-E207 WeakPolarHBondContact CD-OE1 3.1Å; R189-E207 WeakPolarHBondContact CD-OE2 3.19Å; R189-E207 IonicContact CZ-OE1 3.69Å; R189-E207 IonicContact NE-OE1 3.13Å; R189-E207 IonicContact NH1-OE1 4Å; R189-E207 PolarHBondContact NH1-OE1 3.18Å
190	A	90.1	Very high	75.5	Confident	15 Å²	15	59.6 Å²	59.6	12%	0.124	29%	0.291	C	S	.	.			trans	-62.5	117.5	175.3	0	0	0	0	0	112.5	R196 V201	A190-R196 HydrophobicContact CB-CG 3.98Å; A190-R196 PolarHBondContact O-NE 2.93Å; A190-V201 HydrophobicContact CB-CG1 3.93Å
191	I	87.8	Confident	77.7	Confident	15 Å²	15	60 Å²	60	8%	0.077	29%	0.294	C	S	.	.			trans	-91.8	-40.8	179.7	-56.7	-55.4	0	0	0	111.6	R189 R196 Y205 Y247 F250	R189-I191 HydrophobicContact CG-CD1 4.16Å; R189-I191 PolarHBondContact O-N 3.26Å; I191-R196 PolarHBondContact O-NE 2.82Å; I191-R196 PolarHBondContact O-NH2 2.87Å; I191-Y205 HydrophobicContact CD1-CD2 3.41Å; I191-Y205 VanDerWaalsContact CD1-CD2 3.41Å; I191-Y205 HydrophobicContact CD1-CE2 3.62Å; I191-Y205 HydrophobicContact CD1-CG 4.1Å; I191-Y205 HydrophobicContact CG1-CD1 4.28Å; I191-Y205 HydrophobicContact CG1-CD2 3.6Å; I191-Y205 HydrophobicContact CG1-CE1 4.32Å; I191-Y205 HydrophobicContact CG1-CE2 3.63Å; I191-Y205 HydrophobicContact CG1-CG 3.91Å; I191-Y247 HydrophobicContact CB-CE1 3.97Å; I191-Y247 HydrophobicContact CG1-CD1 4.49Å; I191-Y247 HydrophobicContact CG1-CE1 4.07Å; I191-F250 HydrophobicContact CG2-CB 3.91Å; I191-F250 HydrophobicContact CG2-CD1 3.96Å; I191-F250 HydrophobicContact CG2-CD2 4.02Å; I191-F250 HydrophobicContact CG2-CG 3.69Å
192	L	83.8	Confident	79.7	Confident	37 Å²	37	58.8 Å²	58.8	19%	0.194	29%	0.289	C	S	.	.	S	Bend	trans	-80.8	137.8	-177.5	-53.7	178.2	0	0	0	111.1	A194 Y195 R196 V246 Y247 F250	L192-A194 PolarHBondContact O-N 2.68Å; L192-Y195 HydrophobicContact CB-CD2 3.9Å; L192-Y195 HydrophobicContact CD1-CD2 4.04Å; L192-Y195 HydrophobicContact CD1-CE2 3.89Å; L192-Y195 HydrophobicContact CG-CD2 4.35Å; L192-Y195 PolarHBondContact O-N 2.83Å; L192-R196 PolarHBondContact O-N 3.15Å; L192-V246 HydrophobicContact CD1-CG1 4.34Å; L192-V246 HydrophobicContact CD2-CG1 3.53Å; L192-Y247 HydrophobicContact CD1-CE2 4.45Å; L192-F250 HydrophobicContact CD2-CD2 4.07Å; L192-F250 HydrophobicContact CD2-CE2 3.47Å; L192-F250 VanDerWaalsContact CD2-CE2 3.47Å; L192-F250 HydrophobicContact CD2-CZ 4.18Å
193	S	77.9	Confident	81.5	Confident	96 Å²	96	57.9 Å²	57.9	67%	0.671	28%	0.284	S	S	*	.	H	α-helix	trans	-56.4	-34.8	177.8	52	0	0	0	0	112.3	Y195 R196	S193-Y195 PolarHBondContact O-N 3.31Å; S193-R196 PolarHBondContact O-N 3.23Å
194	A	74.7	Confident	83.2	Confident	57 Å²	57	57.3 Å²	57.3	47%	0.471	28%	0.281	S	S	.	.	H	α-helix	trans	-57.8	-31	175.2	0	0	0	0	0	113.3	L192 R198	L192-A194 PolarHBondContact O-N 2.68Å; A194-R198 VanDerWaalsContact O-CD 3.23Å; A194-R198 WeakPolarHBondContact O-CD 3.39Å; A194-R198 VanDerWaalsContact O-CG 3.23Å; A194-R198 WeakPolarHBondContact O-CG 2.94Å; A194-R198 PolarHBondContact O-NE 3.3Å
195	Y	74.9	Confident	84.7	Confident	41 Å²	41	55.8 Å²	55.8	16%	0.161	27%	0.274	C	S	.	.	H	α-helix	trans	-99.7	-21.2	179.9	-61.9	-58.3	0	0	0	113.6	L192 S193 K197 R198 E203	L192-Y195 HydrophobicContact CB-CD2 3.9Å; L192-Y195 HydrophobicContact CD1-CD2 4.04Å; L192-Y195 HydrophobicContact CD1-CE2 3.89Å; L192-Y195 HydrophobicContact CG-CD2 4.35Å; L192-Y195 PolarHBondContact O-N 2.83Å; S193-Y195 PolarHBondContact O-N 3.31Å; Y195-K197 PolarHBondContact O-N 2.8Å; Y195-R198 PolarHBondContact O-N 3.14Å; Y195-E203 HydrophobicContact CD2-CB 4.08Å; Y195-E203 HydrophobicContact CE2-CB 3.97Å; Y195-E203 HydrophobicContact CE2-CG 4.4Å; Y195-E203 WeakPolarHBondContact CE2-OE1 3.49Å; Y195-E203 HydrophobicContact CG-CB 4.5Å
196	R	74.4	Confident	85.6	Confident	154 Å²	154	52.4 Å²	52.4	58%	0.581	26%	0.255	S	S	*	.	H	α-helix	trans	-64.7	-26.6	177.5	-72.2	-175.7	-165	164.6	9.9	114.2	A190 I191 L192 S193	A190-R196 HydrophobicContact CB-CG 3.98Å; A190-R196 PolarHBondContact O-NE 2.93Å; I191-R196 PolarHBondContact O-NE 2.82Å; I191-R196 PolarHBondContact O-NH2 2.87Å; L192-R196 PolarHBondContact O-N 3.15Å; S193-R196 PolarHBondContact O-N 3.23Å
197	K	71.9	Confident	85.8	Confident	197 Å²	197	51.7 Å²	51.7	86%	0.857	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-3	178.2	-64.2	-171.1	177.9	-172.1	0	113.1	Y195	Y195-K197 PolarHBondContact O-N 2.8Å
198	R	76.2	Confident	85.6	Confident	119 Å²	119	47.7 Å²	47.7	45%	0.449	24%	0.237	S	C	.	.	S	Bend	trans	-94.6	139.3	179.1	-77.1	-178.5	-178.9	-152.3	-2.3	109.5	A194 Y195	A194-R198 VanDerWaalsContact O-CD 3.23Å; A194-R198 WeakPolarHBondContact O-CD 3.39Å; A194-R198 VanDerWaalsContact O-CG 3.23Å; A194-R198 WeakPolarHBondContact O-CG 2.94Å; A194-R198 PolarHBondContact O-NE 3.3Å; Y195-R198 PolarHBondContact O-N 3.14Å
199	T	81.8	Confident	85.2	Confident	74 Å²	74	50.1 Å²	50.1	45%	0.454	25%	0.247	S	C	.	.	S	Bend	trans	-124.8	125.5	173.9	-50.4	0	0	0	0	107.5	A428 M429	T199-A428 WeakPolarHBondContact CG2-O 3.41Å; T199-M429 VanDerWaalsContact CG2-C 3.47Å; T199-M429 WeakPolarHBondContact CG2-O 3.47Å
200	P	88.8	Confident	84.3	Confident	3 Å²	3	48.8 Å²	48.8	2%	0.019	24%	0.244	C	C	.	.	S	Bend	cis	-78.5	163.1	2.6	33.8	-33.4	0	0	0	113	T202 F236 P427 M429	P200-T202 HydrophobicContact CG-CG2 4.34Å; P200-T202 PolarHBondContact O-N 3.12Å; P200-F236 HydrophobicContact CB-CE1 4.3Å; P200-F236 HydrophobicContact CB-CZ 4.06Å; P200-F236 HydrophobicContact CG-CE1 3.89Å; P200-F236 HydrophobicContact CG-CZ 4.14Å; P200-P427 HydrophobicContact CB-CB 3.59Å; P200-P427 HydrophobicContact CG-CB 3.84Å; P200-M429 HydrophobicContact CB-SD 3.95Å; P200-M429 HydrophobicContact CG-SD 3.89Å
201	V	90.2	Very high	83.4	Confident	54 Å²	54	49.4 Å²	49.4	33%	0.327	25%	0.252	S	S	.	.			trans	-74.4	112.6	172	176.3	0	0	0	0	108.7	I188 A190 F236	I188-V201 HydrophobicContact CB-CG1 4.31Å; I188-V201 HydrophobicContact CG2-CG1 3.91Å; A190-V201 HydrophobicContact CB-CG1 3.93Å; V201-F236 WeakPolarHBondContact O-CZ 3.13Å
202	T	91.6	Very high	82.9	Confident	9 Å²	9	57.2 Å²	57.2	6%	0.055	29%	0.285	C	S	.	.			trans	-104.5	-12.3	-175.6	46.1	0	0	0	0	113.7	P200 F236 S300 C301 P303	P200-T202 HydrophobicContact CG-CG2 4.34Å; P200-T202 PolarHBondContact O-N 3.12Å; T202-F236 HydrophobicContact CG2-CE1 3.81Å; T202-F236 HydrophobicContact CG2-CZ 3.97Å; T202-S300 CarbonylContact O-C 3.57Å; T202-S300 WeakPolarHBondContact O-CA 3.21Å; T202-C301 PolarHBondContact O-N 3.42Å; T202-P303 HydrophobicContact CG2-CB 4.42Å; T202-P303 HydrophobicContact CG2-CG 4.35Å
203	E	93.8	Very high	82.8	Confident	11 Å²	11	58.2 Å²	58.2	5%	0.051	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	136.5	-175.8	-165.3	-178.8	99.2	0	0	112	Y195 Y247 V299 S300	Y195-E203 HydrophobicContact CD2-CB 4.08Å; Y195-E203 HydrophobicContact CE2-CB 3.97Å; Y195-E203 HydrophobicContact CE2-CG 4.4Å; Y195-E203 WeakPolarHBondContact CE2-OE1 3.49Å; Y195-E203 HydrophobicContact CG-CB 4.5Å; E203-Y247 HydrophobicContact CG-CE2 4.4Å; E203-Y247 VanDerWaalsContact CG-OH 3.29Å; E203-Y247 WeakPolarHBondContact CG-OH 3.46Å; E203-Y247 WeakPolarHBondContact OE1-CE2 3.45Å; E203-Y247 VanDerWaalsContact OE1-CZ 3.3Å; E203-Y247 PolarHBondContact OE1-OH 3.21Å; E203-V299 VanDerWaalsContact CA-O 3.27Å; E203-V299 WeakPolarHBondContact CA-O 3.32Å; E203-V299 WeakPolarHBondContact CG-O 3.27Å; E203-S300 WeakPolarHBondContact OE2-CB 3.18Å; E203-S300 PolarHBondContact OE2-OG 2.63Å
204	G	93.8	Very high	83.2	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169	-176.7	179.3	0	0	0	0	0	114.6	R189 V298 V299	R189-G204 WeakPolarHBondContact O-CA 3.39Å; G204-V298 WeakPolarHBondContact O-CA 3.44Å; G204-V299 PolarHBondContact N-O 3.15Å; G204-V299 VanDerWaalsContact N-O 3.1Å; G204-V299 PolarHBondContact O-N 3.14Å; G204-V299 VanDerWaalsContact O-N 3.1Å
205	Y	93.3	Very high	83.8	Confident	8 Å²	8	56 Å²	56	3%	0.031	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	139.8	172.5	-64.8	-28.4	0	0	0	110.9	R189 I191 Y247 A251 P296 A297 V298	R189-Y205 PolarHBondContact N-O 2.81Å; R189-Y205 PolarHBondContact O-N 3.26Å; I191-Y205 HydrophobicContact CD1-CD2 3.41Å; I191-Y205 VanDerWaalsContact CD1-CD2 3.41Å; I191-Y205 HydrophobicContact CD1-CE2 3.62Å; I191-Y205 HydrophobicContact CD1-CG 4.1Å; I191-Y205 HydrophobicContact CG1-CD1 4.28Å; I191-Y205 HydrophobicContact CG1-CD2 3.6Å; I191-Y205 HydrophobicContact CG1-CE1 4.32Å; I191-Y205 HydrophobicContact CG1-CE2 3.63Å; I191-Y205 HydrophobicContact CG1-CG 3.91Å; Y205-Y247 HydrophobicContact CD1-CD1 4.07Å; Y205-Y247 HydrophobicContact CD1-CE1 4.47Å; Y205-Y247 AromaticContact CE1-CD1 3.39Å; Y205-Y247 HydrophobicContact CE1-CD1 3.39Å; Y205-Y247 HydrophobicContact CE1-CE1 4.16Å; Y205-Y247 HydrophobicContact CE1-CG 4.23Å; Y205-Y247 AromaticContact CZ-CD1 3.95Å; Y205-Y247 PolarHBondContact OH-O 3.24Å; Y205-Y247 VanDerWaalsContact OH-O 3.14Å; Y205-A251 PolarHBondContact OH-N 2.91Å; Y205-P296 HydrophobicContact CD1-CB 3.62Å; Y205-P296 HydrophobicContact CD1-CG 4.47Å; Y205-P296 HydrophobicContact CD2-CB 4.06Å; Y205-P296 HydrophobicContact CD2-CG 4.37Å; Y205-P296 HydrophobicContact CE1-CB 3.79Å; Y205-P296 HydrophobicContact CE1-CG 4.23Å; Y205-P296 HydrophobicContact CE2-CB 4.23Å; Y205-P296 HydrophobicContact CE2-CG 4.15Å; Y205-P296 HydrophobicContact CG-CB 3.79Å; Y205-A297 WeakPolarHBondContact CA-O 3.48Å; Y205-V298 HydrophobicContact CD1-CG2 3.85Å; Y205-V298 HydrophobicContact CE1-CG2 3.86Å
206	V	92.7	Very high	84.5	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	122.1	171.1	-170.2	0	0	0	0	108.8	I186 I217 W222 V230 A297 V299	I186-V206 HydrophobicContact CD1-CG1 3.63Å; I186-V206 HydrophobicContact CG1-CG1 3.88Å; V206-I217 HydrophobicContact CB-CD1 4.2Å; V206-I217 HydrophobicContact CB-CG1 4.49Å; V206-I217 HydrophobicContact CG1-CD1 3.53Å; V206-I217 HydrophobicContact CG1-CG1 4.21Å; V206-I217 PolarHBondContact O-N 2.8Å; V206-I217 VanDerWaalsContact O-N 3.08Å; V206-W222 HydrophobicContact CG1-CH2 4.47Å; V206-W222 HydrophobicContact CG2-CH2 4.28Å; V206-W222 HydrophobicContact CG2-CZ2 4.12Å; V206-V230 HydrophobicContact CG2-CG1 4.28Å; V206-A297 PolarHBondContact N-O 3.47Å; V206-V299 HydrophobicContact CG2-CB 4.25Å; V206-V299 HydrophobicContact CG2-CG1 3.54Å; V206-V299 HydrophobicContact CG2-CG2 3.79Å
207	E	90.4	Very high	85.2	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	136.1	177.8	-65.9	179.6	159.6	0	0	110.5	I186 R187 R189 W214 K215 Q216	I186-E207 CarbonylContact C-O 3.56Å; I186-E207 WeakPolarHBondContact CA-O 3.27Å; R187-E207 HydrophobicContact CG-CB 4.11Å; R187-E207 IonicContact CZ-OE2 3.37Å; R187-E207 PolarHBondContact N-O 3.42Å; R187-E207 IonicContact NE-OE2 2.67Å; R187-E207 PolarHBondContact NE-OE2 2.92Å; R187-E207 IonicContact NH2-OE2 2.76Å; R187-E207 PolarHBondContact NH2-OE2 2.92Å; R187-E207 PolarHBondContact O-N 3.26Å; R189-E207 VanDerWaalsContact CD-CD 3.49Å; R189-E207 WeakPolarHBondContact CD-OE1 3.1Å; R189-E207 WeakPolarHBondContact CD-OE2 3.19Å; R189-E207 IonicContact CZ-OE1 3.69Å; R189-E207 IonicContact NE-OE1 3.13Å; R189-E207 IonicContact NH1-OE1 4Å; R189-E207 PolarHBondContact NH1-OE1 3.18Å; E207-W214 HydrophobicContact CB-CB 4.34Å; E207-W214 HydrophobicContact CB-CE3 3.85Å; E207-W214 WeakPolarHBondContact O-CZ3 3.4Å; E207-K215 CarbonylContact C-O 3.56Å; E207-K215 WeakPolarHBondContact CA-O 3.47Å; E207-Q216 HydrophobicContact CG-CG 4.14Å; E207-Q216 PolarHBondContact OE1-NE2 3.09Å
208	V	86	Confident	85.9	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.012	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	138	172.6	171.3	0	0	0	0	108.6	V183 D185 K215 I217 W259 M263	V183-V208 HydrophobicContact CG1-CG1 4.01Å; V183-V208 HydrophobicContact CG1-CG2 4.17Å; V183-V208 HydrophobicContact CG2-CG1 4.37Å; V183-V208 HydrophobicContact CG2-CG2 4.34Å; D185-V208 WeakPolarHBondContact O-CA 3.39Å; V208-K215 PolarHBondContact N-O 2.9Å; V208-K215 PolarHBondContact O-N 3.47Å; V208-I217 HydrophobicContact CG2-CD1 3.79Å; V208-I217 HydrophobicContact CG2-CG1 3.87Å; V208-W259 HydrophobicContact CB-CD2 4.41Å; V208-W259 HydrophobicContact CB-CG 4.35Å; V208-W259 HydrophobicContact CG1-CD2 4.37Å; V208-W259 HydrophobicContact CG1-CG 4.45Å; V208-W259 HydrophobicContact CG2-CD2 4.43Å; V208-W259 HydrophobicContact CG2-CE3 4.44Å; V208-M263 HydrophobicContact CG2-CE 4.14Å
209	K	82.2	Confident	86.5	Confident	70 Å²	70	34.7 Å²	34.7	30%	0.304	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	126.4	173.2	-165.2	178.9	-178.6	-174.8	0	109.5	D185 W214	D185-K209 HydrophobicContact CB-CB 3.74Å; D185-K209 HydrophobicContact CB-CD 3.76Å; D185-K209 HydrophobicContact CB-CG 4.44Å; D185-K209 PolarHBondContact O-N 3.22Å; K209-W214 HydrophobicContact CB-CD2 4.25Å; K209-W214 HydrophobicContact CB-CE3 3.96Å; K209-W214 HydrophobicContact CB-CH2 3.92Å; K209-W214 HydrophobicContact CB-CZ2 4.17Å; K209-W214 HydrophobicContact CB-CZ3 3.79Å; K209-W214 HydrophobicContact CD-CH2 4.36Å; K209-W214 HydrophobicContact CD-CZ2 4.02Å; K209-W214 HydrophobicContact CG-CD2 4.49Å; K209-W214 HydrophobicContact CG-CZ2 4.28Å
210	E	74	Confident	86.5	Confident	62 Å²	62	34.8 Å²	34.8	29%	0.29	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	106	173	-166.5	-169.6	-95.7	0	0	107.7	K212 T213 K215	E210-K212 PolarHBondContact O-N 2.88Å; E210-T213 PolarHBondContact N-O 3.16Å; E210-T213 PolarHBondContact O-N 2.88Å; E210-T213 VanDerWaalsContact O-N 3.16Å; E210-T213 PolarHBondContact O-OG1 2.75Å; E210-K215 HydrophobicContact CB-CD 4.3Å; E210-K215 IonicContact OE1-NZ 3.29Å; E210-K215 WeakPolarHBondContact OE2-CE 3.04Å; E210-K215 IonicContact OE2-NZ 3.28Å; E210-K215 PolarHBondContact OE2-NZ 3.29Å
211	G	71.6	Confident	86.2	Confident	28 Å²	28	40.6 Å²	40.6	29%	0.289	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.1	-119.8	-169.5	0	0	0	0	0	112.2
212	K	75.9	Confident	86.1	Confident	179 Å²	179	39.7 Å²	39.7	78%	0.778	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.8	1.1	178.8	-65.4	-177.6	-179.2	174.7	0	113.8	E210	E210-K212 PolarHBondContact O-N 2.88Å
213	T	82.4	Confident	86.1	Confident	59 Å²	59	42.2 Å²	42.2	36%	0.362	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	143.1	-172.8	64.1	0	0	0	0	112.7	E210	E210-T213 PolarHBondContact N-O 3.16Å; E210-T213 PolarHBondContact O-N 2.88Å; E210-T213 VanDerWaalsContact O-N 3.16Å; E210-T213 PolarHBondContact O-OG1 2.75Å
214	W	87.2	Confident	86	Confident	64 Å²	64	44.6 Å²	44.6	24%	0.242	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	126.9	172.6	-69.8	92.4	0	0	0	109.8	D185 R187 E207 K209	D185-W214 HydrophobicContact CB-CH2 3.95Å; D185-W214 WeakPolarHBondContact OD2-CH2 3.38Å; R187-W214 HydrophobicContact CB-CH2 4.08Å; R187-W214 HydrophobicContact CB-CZ3 4.01Å; R187-W214 HydrophobicContact CG-CD2 4.38Å; R187-W214 HydrophobicContact CG-CE3 3.82Å; R187-W214 HydrophobicContact CG-CH2 3.96Å; R187-W214 HydrophobicContact CG-CZ3 3.59Å; E207-W214 HydrophobicContact CB-CB 4.34Å; E207-W214 HydrophobicContact CB-CE3 3.85Å; E207-W214 WeakPolarHBondContact O-CZ3 3.4Å; K209-W214 HydrophobicContact CB-CD2 4.25Å; K209-W214 HydrophobicContact CB-CE3 3.96Å; K209-W214 HydrophobicContact CB-CH2 3.92Å; K209-W214 HydrophobicContact CB-CZ2 4.17Å; K209-W214 HydrophobicContact CB-CZ3 3.79Å; K209-W214 HydrophobicContact CD-CH2 4.36Å; K209-W214 HydrophobicContact CD-CZ2 4.02Å; K209-W214 HydrophobicContact CG-CD2 4.49Å; K209-W214 HydrophobicContact CG-CZ2 4.28Å
215	K	87.4	Confident	86	Confident	42 Å²	42	49.9 Å²	49.9	18%	0.183	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	140.4	179.3	-66.1	-173.5	173	-173.9	0	110.3	E207 V208 E210 R257 W259	E207-K215 CarbonylContact C-O 3.56Å; E207-K215 WeakPolarHBondContact CA-O 3.47Å; V208-K215 PolarHBondContact N-O 2.9Å; V208-K215 PolarHBondContact O-N 3.47Å; E210-K215 HydrophobicContact CB-CD 4.3Å; E210-K215 IonicContact OE1-NZ 3.29Å; E210-K215 WeakPolarHBondContact OE2-CE 3.04Å; E210-K215 IonicContact OE2-NZ 3.28Å; E210-K215 PolarHBondContact OE2-NZ 3.29Å; K215-R257 CarbonylContact C-O 3.53Å; K215-R257 VanDerWaalsContact CA-O 3.27Å; K215-R257 WeakPolarHBondContact CA-O 3.04Å; K215-R257 WeakPolarHBondContact CB-O 3.04Å; K215-W259 HydrophobicContact CB-CB 4.1Å
216	Q	88.7	Confident	86	Confident	10 Å²	10	49.5 Å²	49.5	5%	0.047	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	146.5	178.9	-67	75.9	40.3	0	0	111	E207 R257 Y258 W259 P296	E207-Q216 HydrophobicContact CG-CG 4.14Å; E207-Q216 PolarHBondContact OE1-NE2 3.09Å; Q216-R257 PolarHBondContact N-O 3.37Å; Q216-R257 PolarHBondContact OE1-O 3.11Å; Q216-Y258 HydrophobicContact CB-CD1 4.01Å; Q216-Y258 HydrophobicContact CB-CE1 4.24Å; Q216-Y258 CarbonylContact O-C 3.27Å; Q216-Y258 WeakPolarHBondContact O-CA 3.45Å; Q216-W259 PolarHBondContact O-N 3.04Å; Q216-P296 HydrophobicContact CB-CB 4.1Å; Q216-P296 HydrophobicContact CB-CG 4.48Å; Q216-P296 HydrophobicContact CG-CB 4.08Å; Q216-P296 HydrophobicContact CG-CG 4.3Å
217	I	88.4	Confident	86.1	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-80	139.9	167.3	-54.3	-179.5	0	0	0	109.1	V206 V208 W222 M263 P296 A297	V206-I217 HydrophobicContact CB-CD1 4.2Å; V206-I217 HydrophobicContact CB-CG1 4.49Å; V206-I217 HydrophobicContact CG1-CD1 3.53Å; V206-I217 HydrophobicContact CG1-CG1 4.21Å; V206-I217 PolarHBondContact O-N 2.8Å; V206-I217 VanDerWaalsContact O-N 3.08Å; V208-I217 HydrophobicContact CG2-CD1 3.79Å; V208-I217 HydrophobicContact CG2-CG1 3.87Å; I217-W222 HydrophobicContact CB-CZ3 4.42Å; I217-W222 HydrophobicContact CD1-CH2 4.29Å; I217-W222 HydrophobicContact CD1-CZ3 3.98Å; I217-W222 HydrophobicContact CG2-CE3 3.96Å; I217-W222 HydrophobicContact CG2-CZ3 3.8Å; I217-M263 HydrophobicContact CD1-CE 3.63Å; I217-M263 HydrophobicContact CD1-SD 3.71Å; I217-P296 WeakPolarHBondContact O-CA 3.45Å; I217-A297 HydrophobicContact CB-CB 4.12Å; I217-A297 HydrophobicContact CG2-CB 4.36Å; I217-A297 PolarHBondContact O-N 3.31Å
218	C	87.4	Confident	86.3	Confident	1 Å²	1	52.6 Å²	52.6	1%	0.007	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-73.7	137	175.1	-176.2	0	0	0	0	110.1	K220 Y258 V281 C291	C218-K220 PolarHBondContact O-N 2.85Å; C218-Y258 HydrophobicContact CB-CD1 4.04Å; C218-Y258 HydrophobicContact CB-CE1 4.47Å; C218-V281 HydrophobicContact CB-CG1 4.18Å; C218-V281 HydrophobicContact CB-CG2 4.03Å; C218-C291 HydrophobicContact CB-CB 3.74Å; C218-C291 WeakPolarHBondContact CB-SG 3.27Å; C218-C291 WeakPolarHBondContact SG-CB 3.46Å; C218-C291 CovalentContact SG-SG 2.03Å; C218-C291 PolarHBondContact SG-SG 2.93Å
219	D	88.6	Confident	86.7	Confident	52 Å²	52	52.6 Å²	52.6	28%	0.278	26%	0.262	S	S	.	.			trans	-76.1	-6.9	178.5	72.7	-18	0	0	0	114.1	H221 W222 G294 L295	D219-H221 PolarHBondContact O-N 2.92Å; D219-W222 HydrophobicContact CB-CB 4.39Å; D219-W222 WeakPolarHBondContact O-CB 3.26Å; D219-W222 PolarHBondContact O-N 3.01Å; D219-G294 WeakPolarHBondContact OD1-CA 3.45Å; D219-L295 VanDerWaalsContact CB-O 3.3Å; D219-L295 WeakPolarHBondContact CB-O 3.38Å; D219-L295 VanDerWaalsContact CG-N 3.32Å; D219-L295 VanDerWaalsContact CG-O 3.22Å; D219-L295 PolarHBondContact N-O 3.17Å; D219-L295 PolarHBondContact OD1-N 2.94Å; D219-L295 VanDerWaalsContact OD1-O 3.14Å; D219-L295 WeakPolarHBondContact OD2-CB 3.36Å; D219-L295 PolarHBondContact OD2-N 3.49Å
220	K	83.1	Confident	87.3	Confident	76 Å²	76	49.3 Å²	49.3	33%	0.33	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	124.6	172.5	-73.7	-170	176.6	-177.8	0	109.6	C218 W222 E292	C218-K220 PolarHBondContact O-N 2.85Å; K220-W222 PolarHBondContact O-N 2.74Å; K220-E292 WeakPolarHBondContact CE-O 3.25Å; K220-E292 PolarHBondContact NZ-O 3.29Å
221	H	80.9	Confident	88.3	Confident	126 Å²	126	46.3 Å²	46.3	58%	0.583	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.2	9.9	-173.8	-46.4	-75.1	0	0	0	114.6	D219 T223	D219-H221 PolarHBondContact O-N 2.92Å; H221-T223 PolarHBondContact O-N 2.76Å
222	W	88.3	Confident	89.4	Confident	35 Å²	35	45.4 Å²	45.4	13%	0.133	22%	0.223	C	C	.	.			trans	-76	118.8	173.8	-168.2	-87.9	0	0	0	110.6	V206 I217 D219 K220 N226 S227 V230 M263 A297 V299	V206-W222 HydrophobicContact CG1-CH2 4.47Å; V206-W222 HydrophobicContact CG2-CH2 4.28Å; V206-W222 HydrophobicContact CG2-CZ2 4.12Å; I217-W222 HydrophobicContact CB-CZ3 4.42Å; I217-W222 HydrophobicContact CD1-CH2 4.29Å; I217-W222 HydrophobicContact CD1-CZ3 3.98Å; I217-W222 HydrophobicContact CG2-CE3 3.96Å; I217-W222 HydrophobicContact CG2-CZ3 3.8Å; D219-W222 HydrophobicContact CB-CB 4.39Å; D219-W222 WeakPolarHBondContact O-CB 3.26Å; D219-W222 PolarHBondContact O-N 3.01Å; K220-W222 PolarHBondContact O-N 2.74Å; W222-N226 HydrophobicContact CD2-CB 3.71Å; W222-N226 HydrophobicContact CE3-CB 3.88Å; W222-N226 HydrophobicContact CG-CB 4.34Å; W222-N226 HydrophobicContact CH2-CB 3.88Å; W222-N226 HydrophobicContact CZ2-CB 3.7Å; W222-N226 HydrophobicContact CZ3-CB 3.95Å; W222-S227 PolarHBondContact NE1-OG 3.19Å; W222-V230 HydrophobicContact CH2-CG2 3.74Å; W222-V230 HydrophobicContact CZ2-CG2 3.94Å; W222-M263 HydrophobicContact CZ3-CB 4.4Å; W222-M263 HydrophobicContact CZ3-SD 4.28Å; W222-A297 HydrophobicContact CD2-CB 3.63Å; W222-A297 HydrophobicContact CE3-CB 3.81Å; W222-A297 HydrophobicContact CG-CB 3.99Å; W222-A297 HydrophobicContact CZ2-CB 4.42Å; W222-A297 HydrophobicContact CZ3-CB 4.28Å; W222-V299 HydrophobicContact CZ2-CG1 3.85Å
223	T	91.8	Very high	90.2	Very high	62 Å²	62	37.7 Å²	37.7	38%	0.38	19%	0.191	S	C	.	.			trans	-113.1	174.7	-178.5	73.1	0	0	0	0	112	H221 K225 N226 S227	H221-T223 PolarHBondContact O-N 2.76Å; T223-K225 PolarHBondContact O-N 3.4Å; T223-K225 WeakPolarHBondContact OG1-CB 3.36Å; T223-K225 PolarHBondContact OG1-N 3.07Å; T223-N226 PolarHBondContact N-OD1 2.8Å; T223-N226 PolarHBondContact O-N 2.03Å; T223-N226 PolarHBondContact OG1-OD1 2.76Å; T223-S227 PolarHBondContact O-N 2.87Å
224	A	92.8	Very high	90.8	Very high	61 Å²	61	37.5 Å²	37.5	50%	0.504	19%	0.185	S	C	.	.	H	α-helix	trans	-58.8	-30.5	170.9	0	0	0	0	0	112.4	S227 R228	A224-S227 CarbonylContact O-C 3.48Å; A224-S227 WeakPolarHBondContact O-CB 3.38Å; A224-S227 PolarHBondContact O-N 3.31Å; A224-R228 WeakPolarHBondContact O-CB 3.06Å; A224-R228 PolarHBondContact O-N 3.37Å
225	K	93.6	Very high	91.1	Very high	110 Å²	110	34.4 Å²	34.4	48%	0.478	17%	0.173	S	C	.	.	H	α-helix	trans	-64.7	-41.4	177.7	-64.7	172	163.6	-163.3	0	111.9	T223 R228 V229 C265 I266	T223-K225 PolarHBondContact O-N 3.4Å; T223-K225 WeakPolarHBondContact OG1-CB 3.36Å; T223-K225 PolarHBondContact OG1-N 3.07Å; K225-R228 WeakPolarHBondContact O-CB 3.48Å; K225-R228 PolarHBondContact O-N 3.24Å; K225-V229 PolarHBondContact O-N 3Å; K225-V229 VanDerWaalsContact O-N 3.13Å; K225-C265 VanDerWaalsContact CB-O 3.26Å; K225-C265 WeakPolarHBondContact CB-O 3.43Å; K225-C265 WeakPolarHBondContact CD-O 3.48Å; K225-I266 WeakPolarHBondContact CD-O 3.28Å; K225-I266 VanDerWaalsContact CE-O 3.28Å; K225-I266 WeakPolarHBondContact CE-O 3.46Å; K225-I266 WeakPolarHBondContact CG-O 3.32Å
226	N	92.9	Very high	91.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-62.1	-46.2	173.3	-55.9	90.2	0	0	0	110.9	W222 T223 R228 V229 V230 M263 C265	W222-N226 HydrophobicContact CD2-CB 3.71Å; W222-N226 HydrophobicContact CE3-CB 3.88Å; W222-N226 HydrophobicContact CG-CB 4.34Å; W222-N226 HydrophobicContact CH2-CB 3.88Å; W222-N226 HydrophobicContact CZ2-CB 3.7Å; W222-N226 HydrophobicContact CZ3-CB 3.95Å; T223-N226 PolarHBondContact N-OD1 2.8Å; T223-N226 PolarHBondContact O-N 2.03Å; T223-N226 PolarHBondContact OG1-OD1 2.76Å; N226-R228 VanDerWaalsContact C-N 3.29Å; N226-R228 PolarHBondContact O-N 2.75Å; N226-V229 PolarHBondContact O-N 2.85Å; N226-V230 WeakPolarHBondContact O-CG2 3.49Å; N226-V230 PolarHBondContact O-N 3.35Å; N226-M263 VanDerWaalsContact ND2-C 3.28Å; N226-M263 PolarHBondContact ND2-O 3.34Å; N226-C265 PolarHBondContact ND2-N 3.29Å
227	S	94.8	Very high	91.7	Very high	13 Å²	13	33.6 Å²	33.6	9%	0.091	17%	0.172	C	C	.	.	H	α-helix	trans	-60.2	-38.8	176.2	-63.1	0	0	0	0	112.3	W222 T223 A224 V230 C231	W222-S227 PolarHBondContact NE1-OG 3.19Å; T223-S227 PolarHBondContact O-N 2.87Å; A224-S227 CarbonylContact O-C 3.48Å; A224-S227 WeakPolarHBondContact O-CB 3.38Å; A224-S227 PolarHBondContact O-N 3.31Å; S227-V230 PolarHBondContact O-N 2.95Å; S227-C231 VanDerWaalsContact O-CB 3.32Å; S227-C231 WeakPolarHBondContact O-CB 3.45Å; S227-C231 PolarHBondContact O-N 3.38Å; S227-C231 PolarHBondContact O-SG 3.24Å
228	R	95.1	Very high	91.9	Very high	53 Å²	53	34.4 Å²	34.4	20%	0.2	18%	0.18	C	C	.	.	H	α-helix	trans	-61.7	-47.1	177.3	-177.5	172.6	173	-170.7	-10.2	111.8	A224 K225 N226 C231 G232 E239 G267 R365 G397 N398	A224-R228 WeakPolarHBondContact O-CB 3.06Å; A224-R228 PolarHBondContact O-N 3.37Å; K225-R228 WeakPolarHBondContact O-CB 3.48Å; K225-R228 PolarHBondContact O-N 3.24Å; N226-R228 VanDerWaalsContact C-N 3.29Å; N226-R228 PolarHBondContact O-N 2.75Å; R228-C231 PolarHBondContact O-N 2.83Å; R228-G232 PolarHBondContact O-N 3.25Å; R228-E239 WeakPolarHBondContact CB-OE2 3.34Å; R228-G267 WeakPolarHBondContact CD-O 3.18Å; R228-G267 PolarHBondContact NE-O 2.83Å; R228-R365 VanDerWaalsContact NH2-NH1 3.16Å; R228-G397 PolarHBondContact NH2-O 3.3Å; R228-N398 PolarHBondContact NH1-OD1 3.23Å
229	V	93.8	Very high	92.2	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.012	20%	0.196	C	C	.	.	H	α-helix	trans	-63.4	-43.7	177.2	176.7	0	0	0	0	111.1	K225 N226 G232 M233 C265 E269 I272	K225-V229 PolarHBondContact O-N 3Å; K225-V229 VanDerWaalsContact O-N 3.13Å; N226-V229 PolarHBondContact O-N 2.85Å; V229-G232 PolarHBondContact O-N 3.4Å; V229-M233 PolarHBondContact O-N 3.08Å; V229-C265 HydrophobicContact CG2-CB 3.89Å; V229-E269 HydrophobicContact CG1-CB 4.39Å; V229-E269 HydrophobicContact CG2-CB 4.13Å; V229-I272 HydrophobicContact CG1-CB 4.27Å
230	V	94.3	Very high	92.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-63.8	-46.7	176.2	175	0	0	0	0	111.5	I186 I188 V206 W222 N226 S227 G232 M233 F234 I272 V299	I186-V230 HydrophobicContact CD1-CG2 4.49Å; I188-V230 HydrophobicContact CG1-CG1 4.48Å; V206-V230 HydrophobicContact CG2-CG1 4.28Å; W222-V230 HydrophobicContact CH2-CG2 3.74Å; W222-V230 HydrophobicContact CZ2-CG2 3.94Å; N226-V230 WeakPolarHBondContact O-CG2 3.49Å; N226-V230 PolarHBondContact O-N 3.35Å; S227-V230 PolarHBondContact O-N 2.95Å; V230-G232 VanDerWaalsContact C-N 3.29Å; V230-G232 PolarHBondContact O-N 2.79Å; V230-M233 WeakPolarHBondContact O-CG 3Å; V230-M233 PolarHBondContact O-N 2.85Å; V230-F234 HydrophobicContact CG1-CD2 3.81Å; V230-F234 HydrophobicContact CG1-CE2 3.88Å; V230-F234 WeakPolarHBondContact O-CD2 3.48Å; V230-F234 PolarHBondContact O-N 3.49Å; V230-I272 HydrophobicContact CG2-CD1 3.58Å; V230-V299 HydrophobicContact CB-CG1 4.03Å; V230-V299 HydrophobicContact CG1-CB 4.4Å; V230-V299 HydrophobicContact CG1-CG1 3.88Å; V230-V299 HydrophobicContact CG1-CG2 4.03Å
231	C	95.9	Very high	92.9	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-60.7	-43	176.9	-73.3	0	0	0	0	110.8	S227 R228 F234 G235 F236 C301	S227-C231 VanDerWaalsContact O-CB 3.32Å; S227-C231 WeakPolarHBondContact O-CB 3.45Å; S227-C231 PolarHBondContact O-N 3.38Å; S227-C231 PolarHBondContact O-SG 3.24Å; R228-C231 PolarHBondContact O-N 2.83Å; C231-F234 CarbonylContact O-C 3.58Å; C231-F234 PolarHBondContact O-N 2.03Å; C231-G235 PolarHBondContact O-N 3.22Å; C231-F236 CarbonylContact C-O 3.6Å; C231-F236 HydrophobicContact CB-CB 4.05Å; C231-F236 WeakPolarHBondContact O-CA 3.26Å; C231-F236 WeakPolarHBondContact O-CB 3.5Å; C231-F236 PolarHBondContact O-N 2.87Å; C231-C301 WeakPolarHBondContact CA-SG 3.47Å; C231-C301 HydrophobicContact CB-CB 3.79Å; C231-C301 WeakPolarHBondContact CB-SG 3.43Å; C231-C301 WeakPolarHBondContact SG-CA 3.21Å; C231-C301 WeakPolarHBondContact SG-CB 3.03Å; C231-C301 CovalentContact SG-SG 2.05Å; C231-C301 PolarHBondContact SG-SG 2.92Å
232	G	95.1	Very high	93.4	Very high	8 Å²	8	40.8 Å²	40.8	8%	0.082	21%	0.212	C	C	.	.	H	α-helix	trans	-55.8	-52.4	174.9	0	0	0	0	0	113	R228 V229 V230 F234 G235 F236 G370 S371 N425	R228-G232 PolarHBondContact O-N 3.25Å; V229-G232 PolarHBondContact O-N 3.4Å; V230-G232 VanDerWaalsContact C-N 3.29Å; V230-G232 PolarHBondContact O-N 2.79Å; G232-F234 PolarHBondContact O-N 2.8Å; G232-G235 PolarHBondContact O-N 2.83Å; G232-F236 WeakPolarHBondContact CA-O 3.24Å; G232-F236 PolarHBondContact N-O 2.95Å; G232-G370 CarbonylContact O-C 3.55Å; G232-G370 WeakPolarHBondContact O-CA 3.17Å; G232-S371 VanDerWaalsContact C-OG 3.26Å; G232-S371 PolarHBondContact O-N 2.05Å; G232-S371 PolarHBondContact O-OG 3.1Å; G232-N425 WeakPolarHBondContact O-CB 3.27Å
233	M	92.4	Very high	93.5	Very high	18 Å²	18	43.6 Å²	43.6	9%	0.089	23%	0.23	C	C	.	.	H	α-helix	trans	-65.7	-23.4	-178.3	73.8	-171.9	-42.2	0	0	113.6	I186 V229 V230 G235 H271 I272 S371 N425	I186-M233 HydrophobicContact CD1-SD 4.13Å; I186-M233 HydrophobicContact CG2-CE 3.63Å; I186-M233 HydrophobicContact CG2-SD 3.86Å; V229-M233 PolarHBondContact O-N 3.08Å; V230-M233 WeakPolarHBondContact O-CG 3Å; V230-M233 PolarHBondContact O-N 2.85Å; M233-G235 VanDerWaalsContact C-N 3.32Å; M233-H271 WeakPolarHBondContact CE-CD2 3.5Å; M233-H271 WeakPolarHBondContact CE-NE2 3.39Å; M233-I272 HydrophobicContact CE-CB 4.09Å; M233-I272 HydrophobicContact CE-CG2 3.73Å; M233-I272 HydrophobicContact SD-CB 3.88Å; M233-I272 HydrophobicContact SD-CG2 3.98Å; M233-S371 PolarHBondContact N-OG 3.1Å; M233-N425 PolarHBondContact O-OD1 2.8Å
234	F	93.4	Very high	93.4	Very high	54 Å²	54	44.7 Å²	44.7	24%	0.237	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	9	173.6	-74.6	-70.3	0	0	0	114	I186 I188 V230 C231 G232 F236 P427	I186-F234 HydrophobicContact CB-CZ 4.43Å; I186-F234 HydrophobicContact CG1-CE2 4.31Å; I186-F234 HydrophobicContact CG1-CZ 4.32Å; I186-F234 HydrophobicContact CG2-CE2 4.19Å; I186-F234 HydrophobicContact CG2-CZ 3.85Å; I186-F234 VanDerWaalsContact O-CZ 3.3Å; I186-F234 WeakPolarHBondContact O-CZ 3.21Å; I188-F234 HydrophobicContact CD1-CB 4.13Å; I188-F234 HydrophobicContact CD1-CD2 3.57Å; I188-F234 HydrophobicContact CD1-CE2 4.18Å; I188-F234 HydrophobicContact CD1-CG 3.86Å; I188-F234 HydrophobicContact CG1-CD2 3.67Å; I188-F234 HydrophobicContact CG1-CE2 3.74Å; I188-F234 HydrophobicContact CG1-CG 4.2Å; I188-F234 HydrophobicContact CG1-CZ 4.28Å; V230-F234 HydrophobicContact CG1-CD2 3.81Å; V230-F234 HydrophobicContact CG1-CE2 3.88Å; V230-F234 WeakPolarHBondContact O-CD2 3.48Å; V230-F234 PolarHBondContact O-N 3.49Å; C231-F234 CarbonylContact O-C 3.58Å; C231-F234 PolarHBondContact O-N 2.03Å; G232-F234 PolarHBondContact O-N 2.8Å; F234-F236 HydrophobicContact CB-CD2 3.84Å; F234-F236 HydrophobicContact CB-CE2 3.8Å; F234-P427 WeakPolarHBondContact O-CA 3.3Å
235	G	94.3	Very high	93.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.5	20.7	173.1	0	0	0	0	0	115.4	C231 G232 M233 G370 N425 P427	C231-G235 PolarHBondContact O-N 3.22Å; G232-G235 PolarHBondContact O-N 2.83Å; M233-G235 VanDerWaalsContact C-N 3.32Å; G235-G370 VanDerWaalsContact C-CA 3.45Å; G235-G370 VanDerWaalsContact C-N 3.26Å; G235-G370 PolarHBondContact O-N 3.24Å; G235-N425 VanDerWaalsContact CA-C 3.45Å; G235-N425 WeakPolarHBondContact CA-O 3.34Å; G235-P427 VanDerWaalsContact O-CD 3.28Å; G235-P427 WeakPolarHBondContact O-CD 3.43Å; G235-P427 VanDerWaalsContact O-CG 3.27Å; G235-P427 WeakPolarHBondContact O-CG 3.13Å
236	F	95.2	Very high	93.1	Very high	5 Å²	5	46.4 Å²	46.4	2%	0.022	24%	0.236	C	C	.	.			trans	-109.8	132.5	179.8	-55.7	-68.7	0	0	0	111.6	I188 P200 V201 T202 C231 G232 F234 G238 C301 P303 F369 P427	I188-F236 HydrophobicContact CD1-CE2 4.43Å; P200-F236 HydrophobicContact CB-CE1 4.3Å; P200-F236 HydrophobicContact CB-CZ 4.06Å; P200-F236 HydrophobicContact CG-CE1 3.89Å; P200-F236 HydrophobicContact CG-CZ 4.14Å; V201-F236 WeakPolarHBondContact O-CZ 3.13Å; T202-F236 HydrophobicContact CG2-CE1 3.81Å; T202-F236 HydrophobicContact CG2-CZ 3.97Å; C231-F236 CarbonylContact C-O 3.6Å; C231-F236 HydrophobicContact CB-CB 4.05Å; C231-F236 WeakPolarHBondContact O-CA 3.26Å; C231-F236 WeakPolarHBondContact O-CB 3.5Å; C231-F236 PolarHBondContact O-N 2.87Å; G232-F236 WeakPolarHBondContact CA-O 3.24Å; G232-F236 PolarHBondContact N-O 2.95Å; F234-F236 HydrophobicContact CB-CD2 3.84Å; F234-F236 HydrophobicContact CB-CE2 3.8Å; F236-G238 PolarHBondContact O-N 2.83Å; F236-C301 HydrophobicContact CB-CB 3.62Å; F236-C301 HydrophobicContact CD1-CB 4.14Å; F236-C301 HydrophobicContact CD2-CB 3.42Å; F236-C301 VanDerWaalsContact CD2-CB 3.42Å; F236-C301 HydrophobicContact CE2-CB 4.05Å; F236-C301 HydrophobicContact CG-CB 3.45Å; F236-C301 VanDerWaalsContact CG-CB 3.45Å; F236-P303 HydrophobicContact CD1-CB 4.47Å; F236-P303 HydrophobicContact CE1-CB 4.4Å; F236-F369 CarbonylContact C-O 3.56Å; F236-P427 HydrophobicContact CD1-CG 3.9Å; F236-P427 HydrophobicContact CE1-CB 3.84Å; F236-P427 HydrophobicContact CE1-CG 3.61Å; F236-P427 HydrophobicContact CZ-CB 3.97Å; F236-P427 HydrophobicContact CZ-CG 4.16Å
237	P	94.1	Very high	92.9	Very high	30 Å²	30	46.8 Å²	46.8	20%	0.195	24%	0.237	C	C	.	.	S	Bend	trans	-69.7	-15.6	-175.7	24.9	-36	0	0	0	114.2	V302 R365 G368 F369	P237-V302 VanDerWaalsContact CD-O 3.31Å; P237-V302 WeakPolarHBondContact CD-O 3.33Å; P237-R365 HydrophobicContact CB-CG 3.96Å; P237-R365 WeakPolarHBondContact O-CD 3.5Å; P237-R365 VanDerWaalsContact O-CG 3.29Å; P237-R365 WeakPolarHBondContact O-CG 3.34Å; P237-G368 WeakPolarHBondContact CD-O 3.06Å; P237-F369 WeakPolarHBondContact CA-O 3.41Å; P237-F369 VanDerWaalsContact CB-O 3.25Å; P237-F369 WeakPolarHBondContact CB-O 3.08Å; P237-F369 WeakPolarHBondContact CD-O 3.04Å; P237-F369 VanDerWaalsContact N-O 3.09Å
238	G	92.7	Very high	92.6	Very high	16 Å²	16	52.6 Å²	52.6	17%	0.165	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171	176.4	178.3	0	0	0	0	0	114	F236 C301 V302	F236-G238 PolarHBondContact O-N 2.83Å; G238-C301 WeakPolarHBondContact O-CA 3.3Å; G238-V302 PolarHBondContact O-N 3.26Å
239	E	94.1	Very high	92.2	Very high	70 Å²	70	54.5 Å²	54.5	33%	0.327	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	160.7	-179.4	76.6	-71.1	177.6	0	0	112.3	R228 S300	R228-E239 WeakPolarHBondContact CB-OE2 3.34Å; E239-S300 CarbonylContact C-O 3.56Å; E239-S300 WeakPolarHBondContact CA-O 3.46Å
240	R	93.1	Very high	91.9	Very high	110 Å²	110	57.5 Å²	57.5	42%	0.415	29%	0.286	S	S	.	.			trans	-140.3	169.1	174.3	65.2	177	-179.1	-165.3	-4.4	111.5	S300 V302	R240-S300 WeakPolarHBondContact CG-OG 2.98Å; R240-S300 PolarHBondContact N-O 2.89Å; R240-S300 PolarHBondContact NE-OG 3.3Å; R240-S300 VanDerWaalsContact NE-OG 3.16Å; R240-V302 HydrophobicContact CB-CG2 3.9Å; R240-V302 HydrophobicContact CG-CG2 4.19Å
241	T	92.1	Very high	91.5	Very high	136 Å²	136	57.8 Å²	57.8	83%	0.834	29%	0.289	S	S	*	.			trans	-73.4	148.4	177.2	58.7	0	0	0	0	112.2
242	Y	90.7	Very high	90.9	Very high	73 Å²	73	62.5 Å²	62.5	29%	0.286	32%	0.322	S	S	.	.			trans	-127.4	166.3	177.2	64.2	-86.5	0	0	0	112	T244 Y247 V298	Y242-T244 HydrophobicContact CD2-CG2 4.3Å; Y242-T244 HydrophobicContact CE2-CG2 3.76Å; Y242-T244 PolarHBondContact O-N 3.24Å; Y242-T244 VanDerWaalsContact O-N 3.17Å; Y242-Y247 AromaticContact CD2-CD2 3.67Å; Y242-Y247 HydrophobicContact CD2-CD2 3.67Å; Y242-Y247 HydrophobicContact CD2-CE2 4.04Å; Y242-Y247 HydrophobicContact CE2-CD2 4.15Å; Y242-V298 HydrophobicContact CD1-CB 4.45Å; Y242-V298 HydrophobicContact CD1-CG1 4.24Å; Y242-V298 HydrophobicContact CD2-CB 4.21Å; Y242-V298 HydrophobicContact CD2-CG1 3.87Å; Y242-V298 HydrophobicContact CE1-CB 3.97Å; Y242-V298 HydrophobicContact CE1-CG1 4.27Å; Y242-V298 HydrophobicContact CE2-CB 3.68Å; Y242-V298 HydrophobicContact CE2-CG1 3.88Å; Y242-V298 HydrophobicContact CE2-CG2 3.84Å; Y242-V298 HydrophobicContact CG-CG1 4.06Å
243	N	90.8	Very high	90.4	Very high	94 Å²	94	70.5 Å²	70.5	50%	0.503	35%	0.35	S	S	.	.			trans	-81.3	96.3	178.4	-171.7	-24.7	0	0	0	111.7	K245 V246 Y247	N243-K245 VanDerWaalsContact C-N 3.29Å; N243-K245 PolarHBondContact O-N 3.12Å; N243-K245 WeakPolarHBondContact OD1-CB 3.33Å; N243-K245 PolarHBondContact OD1-N 2.81Å; N243-K245 VanDerWaalsContact OD1-N 3.16Å; N243-V246 HydrophobicContact CB-CG2 4.19Å; N243-V246 PolarHBondContact O-N 3.01Å; N243-Y247 WeakPolarHBondContact O-CD2 3.04Å
244	T	89.5	Confident	89.6	Confident	85 Å²	85	77.5 Å²	77.5	52%	0.521	38%	0.375	S	S	.	.	H	α-helix	trans	-58.5	-34.5	-178.4	57.5	0	0	0	0	113.9	Y242 V246 Y247 K248	Y242-T244 HydrophobicContact CD2-CG2 4.3Å; Y242-T244 HydrophobicContact CE2-CG2 3.76Å; Y242-T244 PolarHBondContact O-N 3.24Å; Y242-T244 VanDerWaalsContact O-N 3.17Å; T244-V246 VanDerWaalsContact C-N 3.29Å; T244-V246 PolarHBondContact O-N 2.84Å; T244-Y247 PolarHBondContact O-N 3.09Å; T244-K248 WeakPolarHBondContact O-CB 3.46Å; T244-K248 PolarHBondContact O-N 3.01Å
245	K	90	Very high	88.8	Confident	167 Å²	167	84.2 Å²	84.2	73%	0.726	40%	0.404	S	S	*	.	H	α-helix	trans	-62.1	-38.7	-178.3	-63.5	-178.9	-179.3	177	0	111.8	N243 M249	N243-K245 VanDerWaalsContact C-N 3.29Å; N243-K245 PolarHBondContact O-N 3.12Å; N243-K245 WeakPolarHBondContact OD1-CB 3.33Å; N243-K245 PolarHBondContact OD1-N 2.81Å; N243-K245 VanDerWaalsContact OD1-N 3.16Å; K245-M249 PolarHBondContact O-N 2.04Å; K245-M249 VanDerWaalsContact O-N 3.11Å
246	V	89.8	Confident	88	Confident	41 Å²	41	85.8 Å²	85.8	25%	0.248	41%	0.411	C	S	.	.	H	α-helix	trans	-67.3	-48.7	-179.4	177.8	0	0	0	0	110.3	L192 N243 T244 K248 M249 F250	L192-V246 HydrophobicContact CD1-CG1 4.34Å; L192-V246 HydrophobicContact CD2-CG1 3.53Å; N243-V246 HydrophobicContact CB-CG2 4.19Å; N243-V246 PolarHBondContact O-N 3.01Å; T244-V246 VanDerWaalsContact C-N 3.29Å; T244-V246 PolarHBondContact O-N 2.84Å; V246-K248 PolarHBondContact O-N 2.64Å; V246-M249 WeakPolarHBondContact O-CB 3.49Å; V246-M249 PolarHBondContact O-N 3.48Å; V246-F250 HydrophobicContact CG1-CD2 3.9Å; V246-F250 HydrophobicContact CG1-CE2 3.74Å; V246-F250 VanDerWaalsContact O-CD2 3.26Å; V246-F250 WeakPolarHBondContact O-CD2 3.26Å; V246-F250 PolarHBondContact O-N 2.77Å; V246-F250 VanDerWaalsContact O-N 3.1Å
247	Y	89.6	Confident	87.3	Confident	8 Å²	8	93.6 Å²	93.6	3%	0.031	44%	0.441	C	S	.	.	H	α-helix	trans	-66.4	-37.7	179.4	-74.3	-79.6	0	0	0	112.5	I191 L192 E203 Y205 Y242 N243 T244 M249 F250 A251 V298	I191-Y247 HydrophobicContact CB-CE1 3.97Å; I191-Y247 HydrophobicContact CG1-CD1 4.49Å; I191-Y247 HydrophobicContact CG1-CE1 4.07Å; L192-Y247 HydrophobicContact CD1-CE2 4.45Å; E203-Y247 HydrophobicContact CG-CE2 4.4Å; E203-Y247 VanDerWaalsContact CG-OH 3.29Å; E203-Y247 WeakPolarHBondContact CG-OH 3.46Å; E203-Y247 WeakPolarHBondContact OE1-CE2 3.45Å; E203-Y247 VanDerWaalsContact OE1-CZ 3.3Å; E203-Y247 PolarHBondContact OE1-OH 3.21Å; Y205-Y247 HydrophobicContact CD1-CD1 4.07Å; Y205-Y247 HydrophobicContact CD1-CE1 4.47Å; Y205-Y247 AromaticContact CE1-CD1 3.39Å; Y205-Y247 HydrophobicContact CE1-CD1 3.39Å; Y205-Y247 HydrophobicContact CE1-CE1 4.16Å; Y205-Y247 HydrophobicContact CE1-CG 4.23Å; Y205-Y247 AromaticContact CZ-CD1 3.95Å; Y205-Y247 PolarHBondContact OH-O 3.24Å; Y205-Y247 VanDerWaalsContact OH-O 3.14Å; Y242-Y247 AromaticContact CD2-CD2 3.67Å; Y242-Y247 HydrophobicContact CD2-CD2 3.67Å; Y242-Y247 HydrophobicContact CD2-CE2 4.04Å; Y242-Y247 HydrophobicContact CE2-CD2 4.15Å; N243-Y247 WeakPolarHBondContact O-CD2 3.04Å; T244-Y247 PolarHBondContact O-N 3.09Å; Y247-M249 VanDerWaalsContact C-N 3.28Å; Y247-M249 PolarHBondContact O-N 3.39Å; Y247-F250 PolarHBondContact O-N 3.29Å; Y247-F250 VanDerWaalsContact O-N 3.14Å; Y247-A251 WeakPolarHBondContact O-CB 3.19Å; Y247-A251 PolarHBondContact O-N 2.77Å; Y247-V298 HydrophobicContact CD1-CG1 4.2Å; Y247-V298 HydrophobicContact CD1-CG2 3.96Å; Y247-V298 HydrophobicContact CD2-CG1 4.1Å; Y247-V298 HydrophobicContact CD2-CG2 4.39Å; Y247-V298 HydrophobicContact CE1-CG1 4.03Å; Y247-V298 HydrophobicContact CE2-CG1 3.96Å; Y247-V298 HydrophobicContact CG-CG1 4.21Å; Y247-V298 HydrophobicContact CG-CG2 3.84Å
248	K	87.8	Confident	86.8	Confident	135 Å²	135	93 Å²	93	59%	0.587	44%	0.435	S	S	*	.	H	α-helix	trans	-58.2	-40.3	172	-171.7	171.2	-175.6	174.9	0	112.2	T244 V246 S252 L295	T244-K248 WeakPolarHBondContact O-CB 3.46Å; T244-K248 PolarHBondContact O-N 3.01Å; V246-K248 PolarHBondContact O-N 2.64Å; K248-S252 PolarHBondContact O-N 3.29Å; K248-L295 HydrophobicContact CB-CD1 3.97Å; K248-L295 HydrophobicContact CD-CD1 4.3Å; K248-L295 HydrophobicContact CG-CD1 3.88Å; K248-L295 HydrophobicContact CG-CD2 4.43Å
249	M	88.6	Confident	86.3	Confident	93 Å²	93	92.6 Å²	92.6	46%	0.458	43%	0.428	S	S	.	.	H	α-helix	trans	-64.8	-40.7	175.3	-173.3	-158.8	-62.4	0	0	112.4	K245 V246 Y247 S252 R253	K245-M249 PolarHBondContact O-N 2.04Å; K245-M249 VanDerWaalsContact O-N 3.11Å; V246-M249 WeakPolarHBondContact O-CB 3.49Å; V246-M249 PolarHBondContact O-N 3.48Å; Y247-M249 VanDerWaalsContact C-N 3.28Å; Y247-M249 PolarHBondContact O-N 3.39Å; M249-S252 PolarHBondContact O-OG 2.9Å; M249-R253 WeakPolarHBondContact O-CG 3.46Å; M249-R253 PolarHBondContact SD-NH2 3.21Å
250	F	87.1	Confident	85.4	Confident	64 Å²	64	90.5 Å²	90.5	28%	0.281	42%	0.421	S	S	.	.	H	α-helix	trans	-73.3	-34.9	178.3	-80.4	-74.8	0	0	0	112.7	I191 L192 V246 Y247 S252 R253	I191-F250 HydrophobicContact CG2-CB 3.91Å; I191-F250 HydrophobicContact CG2-CD1 3.96Å; I191-F250 HydrophobicContact CG2-CD2 4.02Å; I191-F250 HydrophobicContact CG2-CG 3.69Å; L192-F250 HydrophobicContact CD2-CD2 4.07Å; L192-F250 HydrophobicContact CD2-CE2 3.47Å; L192-F250 VanDerWaalsContact CD2-CE2 3.47Å; L192-F250 HydrophobicContact CD2-CZ 4.18Å; V246-F250 HydrophobicContact CG1-CD2 3.9Å; V246-F250 HydrophobicContact CG1-CE2 3.74Å; V246-F250 VanDerWaalsContact O-CD2 3.26Å; V246-F250 WeakPolarHBondContact O-CD2 3.26Å; V246-F250 PolarHBondContact O-N 2.77Å; V246-F250 VanDerWaalsContact O-N 3.1Å; Y247-F250 PolarHBondContact O-N 3.29Å; Y247-F250 VanDerWaalsContact O-N 3.14Å; F250-S252 VanDerWaalsContact C-N 3.34Å; F250-R253 PolarHBondContact O-N 3.3Å
251	A	86.2	Confident	84.5	Confident	7 Å²	7	86.4 Å²	86.4	6%	0.058	41%	0.406	C	S	.	.	H	α-helix	trans	-61.9	-40.6	176.7	0	0	0	0	0	111.8	Y205 Y247 R253 Q256 L295 P296	Y205-A251 PolarHBondContact OH-N 2.91Å; Y247-A251 WeakPolarHBondContact O-CB 3.19Å; Y247-A251 PolarHBondContact O-N 2.77Å; A251-R253 VanDerWaalsContact C-N 3.29Å; A251-R253 PolarHBondContact O-N 3.08Å; A251-Q256 PolarHBondContact O-NE2 2.75Å; A251-Q256 VanDerWaalsContact O-NE2 3.12Å; A251-L295 HydrophobicContact CB-CD2 3.76Å; A251-P296 HydrophobicContact CB-CG 4.42Å
252	S	83.1	Confident	83.8	Confident	99 Å²	99	80 Å²	80	69%	0.692	37%	0.367	S	S	*	.	H	α-helix	trans	-70.9	-19.4	-179.9	66.1	0	0	0	0	114.5	K248 M249 F250	K248-S252 PolarHBondContact O-N 3.29Å; M249-S252 PolarHBondContact O-OG 2.9Å; F250-S252 VanDerWaalsContact C-N 3.34Å
253	R	83.6	Confident	83.3	Confident	176 Å²	176	76.8 Å²	76.8	66%	0.664	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-9.8	-178.5	-70.5	178	-177.8	-166.3	1.6	114.3	M249 F250 A251	M249-R253 WeakPolarHBondContact O-CG 3.46Å; M249-R253 PolarHBondContact SD-NH2 3.21Å; F250-R253 PolarHBondContact O-N 3.3Å; A251-R253 VanDerWaalsContact C-N 3.29Å; A251-R253 PolarHBondContact O-N 3.08Å
254	R	76.4	Confident	83	Confident	164 Å²	164	76.7 Å²	76.7	62%	0.619	35%	0.354	S	S	*	.	S	Bend	trans	-138.3	141.8	-175.7	-68.1	-174	175.4	-167.5	-4.5	110.7	Q256	R254-Q256 PolarHBondContact O-N 3.39Å; R254-Q256 PolarHBondContact O-NE2 2.96Å
255	K	75.4	Confident	82.9	Confident	196 Å²	196	72.7 Å²	72.7	85%	0.852	33%	0.329	S	S	*	.			trans	-68.4	117.9	170	-168.3	174	-175.2	175.9	0	108.7
256	Q	78.6	Confident	83	Confident	33 Å²	33	69.8 Å²	69.8	15%	0.154	32%	0.321	C	S	.	.			trans	-86.6	152.5	179	-51.1	-54.7	-29.8	0	0	110.3	A251 R254 Y258 P296	A251-Q256 PolarHBondContact O-NE2 2.75Å; A251-Q256 VanDerWaalsContact O-NE2 3.12Å; R254-Q256 PolarHBondContact O-N 3.39Å; R254-Q256 PolarHBondContact O-NE2 2.96Å; Q256-Y258 HydrophobicContact CB-CD2 4.08Å; Q256-Y258 HydrophobicContact CB-CE2 3.5Å; Q256-Y258 VanDerWaalsContact CB-CE2 3.5Å; Q256-Y258 HydrophobicContact CG-CE2 4.28Å; Q256-P296 HydrophobicContact CG-CG 3.96Å
257	R	80.9	Confident	83.1	Confident	169 Å²	169	68.1 Å²	68.1	64%	0.638	31%	0.311	S	S	*	.			trans	-122.6	103.5	172.9	-71.7	-174.7	179.9	-173.9	-0.7	107.2	K215 Q216	K215-R257 CarbonylContact C-O 3.53Å; K215-R257 VanDerWaalsContact CA-O 3.27Å; K215-R257 WeakPolarHBondContact CA-O 3.04Å; K215-R257 WeakPolarHBondContact CB-O 3.04Å; Q216-R257 PolarHBondContact N-O 3.37Å; Q216-R257 PolarHBondContact OE1-O 3.11Å
258	Y	83.4	Confident	83.2	Confident	17 Å²	17	69 Å²	69	7%	0.067	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-85.8	150.1	-176.3	-62.9	-90	0	0	0	112	Q216 C218 Q256 T290 C291 G294 L295 P296	Q216-Y258 HydrophobicContact CB-CD1 4.01Å; Q216-Y258 HydrophobicContact CB-CE1 4.24Å; Q216-Y258 CarbonylContact O-C 3.27Å; Q216-Y258 WeakPolarHBondContact O-CA 3.45Å; C218-Y258 HydrophobicContact CB-CD1 4.04Å; C218-Y258 HydrophobicContact CB-CE1 4.47Å; Q256-Y258 HydrophobicContact CB-CD2 4.08Å; Q256-Y258 HydrophobicContact CB-CE2 3.5Å; Q256-Y258 VanDerWaalsContact CB-CE2 3.5Å; Q256-Y258 HydrophobicContact CG-CE2 4.28Å; Y258-T290 WeakPolarHBondContact CD2-O 3.4Å; Y258-T290 WeakPolarHBondContact CE2-O 3.48Å; Y258-T290 PolarHBondContact N-OG1 3.26Å; Y258-C291 HydrophobicContact CD1-CB 3.86Å; Y258-C291 HydrophobicContact CD2-CB 3.49Å; Y258-C291 VanDerWaalsContact CD2-CB 3.49Å; Y258-C291 HydrophobicContact CE1-CB 3.99Å; Y258-C291 HydrophobicContact CE2-CB 3.6Å; Y258-C291 HydrophobicContact CG-CB 3.59Å; Y258-G294 PolarHBondContact OH-O 2.84Å; Y258-L295 VanDerWaalsContact OH-C 3.22Å; Y258-L295 WeakPolarHBondContact OH-CA 3.07Å; Y258-P296 HydrophobicContact CE1-CB 4.44Å; Y258-P296 HydrophobicContact CE1-CG 4.16Å; Y258-P296 VanDerWaalsContact OH-CD 3.26Å; Y258-P296 WeakPolarHBondContact OH-CD 3.07Å
259	W	80.9	Confident	83.3	Confident	7 Å²	7	63.8 Å²	63.8	3%	0.027	30%	0.295	C	S	.	.			trans	-70	142.5	165.9	-170.5	55.2	0	0	0	109.1	I181 V183 V208 K215 Q216 F261 M263 L277	I181-W259 HydrophobicContact CB-CZ2 4.38Å; I181-W259 HydrophobicContact CG2-CH2 4.45Å; I181-W259 HydrophobicContact CG2-CZ2 3.68Å; V183-W259 HydrophobicContact CG2-CH2 4.28Å; V183-W259 HydrophobicContact CG2-CZ2 4.48Å; V208-W259 HydrophobicContact CB-CD2 4.41Å; V208-W259 HydrophobicContact CB-CG 4.35Å; V208-W259 HydrophobicContact CG1-CD2 4.37Å; V208-W259 HydrophobicContact CG1-CG 4.45Å; V208-W259 HydrophobicContact CG2-CD2 4.43Å; V208-W259 HydrophobicContact CG2-CE3 4.44Å; K215-W259 HydrophobicContact CB-CB 4.1Å; Q216-W259 PolarHBondContact O-N 3.04Å; W259-F261 HydrophobicContact CD2-CB 4.46Å; W259-F261 HydrophobicContact CD2-CD2 4.47Å; W259-F261 HydrophobicContact CE3-CB 4.03Å; W259-F261 HydrophobicContact CH2-CB 4.03Å; W259-F261 HydrophobicContact CH2-CD2 4.47Å; W259-F261 HydrophobicContact CZ2-CB 4.45Å; W259-F261 HydrophobicContact CZ2-CD2 4.09Å; W259-F261 HydrophobicContact CZ3-CB 3.77Å; W259-F261 PolarHBondContact O-N 3.28Å; W259-M263 HydrophobicContact CE3-CE 4.04Å; W259-M263 HydrophobicContact CH2-CE 3.72Å; W259-M263 HydrophobicContact CZ3-CE 3.27Å; W259-M263 HydrophobicContact CZ3-CG 4Å; W259-M263 HydrophobicContact CZ3-SD 4.42Å; W259-L277 HydrophobicContact CH2-CD2 3.75Å; W259-L277 HydrophobicContact CZ3-CD2 4.23Å
260	P	75.1	Confident	83.2	Confident	27 Å²	27	59.7 Å²	59.7	18%	0.175	28%	0.277	C	S	.	.	S	Bend	trans	-69.8	-12.6	-168.5	-20.9	33.9	0	0	0	115.5	V281	P260-V281 PolarHBondContact O-N 3.34Å
261	F	76	Confident	83.1	Confident	23 Å²	23	58.7 Å²	58.7	10%	0.101	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	144	-172.1	-55.3	-85.5	0	0	0	111.1	I181 W259 L277 Q280	I181-F261 HydrophobicContact CD1-CD1 3.81Å; I181-F261 HydrophobicContact CD1-CD2 3.54Å; I181-F261 HydrophobicContact CD1-CE1 3.45Å; I181-F261 VanDerWaalsContact CD1-CE1 3.45Å; I181-F261 HydrophobicContact CD1-CE2 3.18Å; I181-F261 HydrophobicContact CD1-CG 3.85Å; I181-F261 HydrophobicContact CD1-CZ 3.13Å; W259-F261 HydrophobicContact CD2-CB 4.46Å; W259-F261 HydrophobicContact CD2-CD2 4.47Å; W259-F261 HydrophobicContact CE3-CB 4.03Å; W259-F261 HydrophobicContact CH2-CB 4.03Å; W259-F261 HydrophobicContact CH2-CD2 4.47Å; W259-F261 HydrophobicContact CZ2-CB 4.45Å; W259-F261 HydrophobicContact CZ2-CD2 4.09Å; W259-F261 HydrophobicContact CZ3-CB 3.77Å; W259-F261 PolarHBondContact O-N 3.28Å; F261-L277 HydrophobicContact CB-CD2 4.23Å; F261-Q280 HydrophobicContact CD1-CG 3.78Å; F261-Q280 HydrophobicContact CE1-CG 3.48Å; F261-Q280 VanDerWaalsContact CE1-CG 3.48Å; F261-Q280 HydrophobicContact CZ-CG 4.32Å
262	S	76.2	Confident	83	Confident	2 Å²	2	58.6 Å²	58.6	1%	0.014	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	167.6	164	58.5	0	0	0	0	109.8	G278 P279	S262-G278 PolarHBondContact O-N 2.82Å; S262-G278 VanDerWaalsContact OG-C 3.29Å; S262-G278 VanDerWaalsContact OG-CA 3.27Å; S262-G278 WeakPolarHBondContact OG-CA 3.1Å; S262-P279 WeakPolarHBondContact OG-CD 3.35Å; S262-P279 PolarHBondContact OG-O 3.05Å; S262-P279 VanDerWaalsContact OG-O 3.04Å
263	M	79.8	Confident	82.6	Confident	6 Å²	6	54.5 Å²	54.5	3%	0.03	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	139.9	179.9	-66.1	-178.1	174.3	0	0	109.8	V183 V208 I217 W222 N226 W259 I272	V183-M263 HydrophobicContact CG2-CE 3.76Å; V208-M263 HydrophobicContact CG2-CE 4.14Å; I217-M263 HydrophobicContact CD1-CE 3.63Å; I217-M263 HydrophobicContact CD1-SD 3.71Å; W222-M263 HydrophobicContact CZ3-CB 4.4Å; W222-M263 HydrophobicContact CZ3-SD 4.28Å; N226-M263 VanDerWaalsContact ND2-C 3.28Å; N226-M263 PolarHBondContact ND2-O 3.34Å; W259-M263 HydrophobicContact CE3-CE 4.04Å; W259-M263 HydrophobicContact CH2-CE 3.72Å; W259-M263 HydrophobicContact CZ3-CE 3.27Å; W259-M263 HydrophobicContact CZ3-CG 4Å; W259-M263 HydrophobicContact CZ3-SD 4.42Å; M263-I272 HydrophobicContact CE-CD1 3.75Å; M263-I272 HydrophobicContact CE-CG1 4.08Å; M263-I272 HydrophobicContact SD-CD1 3.13Å; M263-I272 WeakPolarHBondContact SD-CD1 3.4Å; M263-I272 HydrophobicContact SD-CG1 3.41Å; M263-I272 WeakPolarHBondContact SD-CG1 3.4Å
264	D	85.1	Confident	82.4	Confident	91 Å²	91	48.7 Å²	48.7	49%	0.487	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	98.6	178.3	-170.4	15.8	0	0	0	109.6	K276	D264-K276 PolarHBondContact N-O 2.96Å; D264-K276 PolarHBondContact O-N 3.22Å
265	C	88.4	Confident	82.6	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.007	20%	0.204	C	C	.	.			trans	-102.3	143.6	-179	-59.4	0	0	0	0	110.6	K225 N226 V229 G267 C275	K225-C265 VanDerWaalsContact CB-O 3.26Å; K225-C265 WeakPolarHBondContact CB-O 3.43Å; K225-C265 WeakPolarHBondContact CD-O 3.48Å; N226-C265 PolarHBondContact ND2-N 3.29Å; V229-C265 HydrophobicContact CG2-CB 3.89Å; C265-G267 VanDerWaalsContact C-N 3.34Å; C265-C275 HydrophobicContact CB-CB 3.9Å; C265-C275 WeakPolarHBondContact CB-SG 3.15Å; C265-C275 WeakPolarHBondContact SG-CB 3.46Å; C265-C275 CovalentContact SG-SG 2.03Å; C265-C275 PolarHBondContact SG-SG 3.33Å
266	I	91.2	Very high	82.8	Confident	107 Å²	107	37 Å²	37	55%	0.549	18%	0.184	S	C	.	.			trans	-75.1	-28.2	172.8	-61.1	166	0	0	0	110.9	K225 E269	K225-I266 WeakPolarHBondContact CD-O 3.28Å; K225-I266 VanDerWaalsContact CE-O 3.28Å; K225-I266 WeakPolarHBondContact CE-O 3.46Å; K225-I266 WeakPolarHBondContact CG-O 3.32Å; I266-E269 WeakPolarHBondContact CB-OE1 3.41Å; I266-E269 PolarHBondContact N-OE1 2.79Å; I266-E269 PolarHBondContact N-OE2 2.91Å
267	G	91	Very high	82.5	Confident	5 Å²	5	37.1 Å²	37.1	5%	0.052	19%	0.186	C	C	.	.	S	Bend	trans	103.3	-1.9	177.6	0	0	0	0	0	114.5	R228 C265 E269	R228-G267 WeakPolarHBondContact CD-O 3.18Å; R228-G267 PolarHBondContact NE-O 2.83Å; C265-G267 VanDerWaalsContact C-N 3.34Å; G267-E269 WeakPolarHBondContact CA-OE2 3.31Å; G267-E269 PolarHBondContact N-OE2 3.5Å
268	T	91.9	Very high	81.8	Confident	26 Å²	26	29.7 Å²	29.7	16%	0.16	16%	0.162	C	C	.	.			trans	-108.4	-7.6	-179.7	57	0	0	0	0	112.5	T396	T268-T396 WeakPolarHBondContact CG2-O 3.38Å
269	E	90.3	Very high	81	Confident	26 Å²	26	33 Å²	33	12%	0.121	19%	0.185	C	C	.	.			trans	-65.4	137.5	177	-58	92.8	149.5	0	0	111.3	V229 I266 G267 H271	V229-E269 HydrophobicContact CG1-CB 4.39Å; V229-E269 HydrophobicContact CG2-CB 4.13Å; I266-E269 WeakPolarHBondContact CB-OE1 3.41Å; I266-E269 PolarHBondContact N-OE1 2.79Å; I266-E269 PolarHBondContact N-OE2 2.91Å; G267-E269 WeakPolarHBondContact CA-OE2 3.31Å; G267-E269 PolarHBondContact N-OE2 3.5Å; E269-H271 VanDerWaalsContact C-N 3.34Å
270	A	87.2	Confident	80.3	Confident	8 Å²	8	38.4 Å²	38.4	7%	0.066	21%	0.211	C	C	.	.	S	Bend	trans	-75.6	-24.7	177.7	0	0	0	0	0	113.2	L357 S371	A270-L357 HydrophobicContact CB-CD2 3.58Å; A270-L357 HydrophobicContact CB-CG 3.69Å; A270-S371 VanDerWaalsContact O-CB 3.27Å; A270-S371 WeakPolarHBondContact O-CB 3.46Å; A270-S371 PolarHBondContact O-OG 3.37Å
271	H	85.6	Confident	79.8	Confident	43 Å²	43	37.8 Å²	37.8	20%	0.199	21%	0.206	C	C	.	.	S	Bend	trans	-142.3	146	-177.7	-168.2	-89.2	0	0	0	110.7	H67 M233 E269 S273 S274	H67-H271 HydrophobicContact CB-CB 4.4Å; M233-H271 WeakPolarHBondContact CE-CD2 3.5Å; M233-H271 WeakPolarHBondContact CE-NE2 3.39Å; E269-H271 VanDerWaalsContact C-N 3.34Å; H271-S273 WeakPolarHBondContact ND1-CB 3.15Å; H271-S273 PolarHBondContact ND1-N 3.2Å; H271-S273 VanDerWaalsContact ND1-N 3.14Å; H271-S273 PolarHBondContact ND1-OG 2.54Å; H271-S273 PolarHBondContact O-N 3.25Å; H271-S273 VanDerWaalsContact O-N 3.15Å; H271-S274 WeakPolarHBondContact O-CB 3.46Å; H271-S274 PolarHBondContact O-N 2.67Å
272	I	82.4	Confident	78.9	Confident	5 Å²	5	39.6 Å²	39.6	3%	0.026	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-62.4	-25.5	-175.8	-154.8	169.2	0	0	0	113.7	V183 I186 V229 V230 M233 M263 S274 C275	V183-I272 HydrophobicContact CB-CG2 4.48Å; V183-I272 HydrophobicContact CG2-CG2 4.24Å; I186-I272 HydrophobicContact CD1-CD1 3.51Å; I186-I272 HydrophobicContact CD1-CG2 4.15Å; V229-I272 HydrophobicContact CG1-CB 4.27Å; V230-I272 HydrophobicContact CG2-CD1 3.58Å; M233-I272 HydrophobicContact CE-CB 4.09Å; M233-I272 HydrophobicContact CE-CG2 3.73Å; M233-I272 HydrophobicContact SD-CB 3.88Å; M233-I272 HydrophobicContact SD-CG2 3.98Å; M263-I272 HydrophobicContact CE-CD1 3.75Å; M263-I272 HydrophobicContact CE-CG1 4.08Å; M263-I272 HydrophobicContact SD-CD1 3.13Å; M263-I272 WeakPolarHBondContact SD-CD1 3.4Å; M263-I272 HydrophobicContact SD-CG1 3.41Å; M263-I272 WeakPolarHBondContact SD-CG1 3.4Å; I272-S274 PolarHBondContact O-N 3.3Å; I272-C275 VanDerWaalsContact O-CB 3.3Å; I272-C275 WeakPolarHBondContact O-CB 3.47Å; I272-C275 PolarHBondContact O-N 2.86Å; I272-C275 VanDerWaalsContact O-N 3.09Å
273	S	75	Confident	77.9	Confident	13 Å²	13	44.5 Å²	44.5	9%	0.091	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-67.9	-13.8	174.4	63.6	0	0	0	0	114	H271	H271-S273 WeakPolarHBondContact ND1-CB 3.15Å; H271-S273 PolarHBondContact ND1-N 3.2Å; H271-S273 VanDerWaalsContact ND1-N 3.14Å; H271-S273 PolarHBondContact ND1-OG 2.54Å; H271-S273 PolarHBondContact O-N 3.25Å; H271-S273 VanDerWaalsContact O-N 3.15Å
274	S	78.9	Confident	76.5	Confident	53 Å²	53	46.3 Å²	46.3	37%	0.371	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-90.7	-6.9	174	-55	0	0	0	0	112.2	H271 I272	H271-S274 WeakPolarHBondContact O-CB 3.46Å; H271-S274 PolarHBondContact O-N 2.67Å; I272-S274 PolarHBondContact O-N 3.3Å
275	C	81.5	Confident	74.9	Confident	14 Å²	14	47.7 Å²	47.7	10%	0.095	27%	0.271	C	S	.	.	S	Bend	trans	-75.5	151.5	172.8	-57.2	0	0	0	0	110.8	C265 I272	C265-C275 HydrophobicContact CB-CB 3.9Å; C265-C275 WeakPolarHBondContact CB-SG 3.15Å; C265-C275 WeakPolarHBondContact SG-CB 3.46Å; C265-C275 CovalentContact SG-SG 2.03Å; C265-C275 PolarHBondContact SG-SG 3.33Å; I272-C275 VanDerWaalsContact O-CB 3.3Å; I272-C275 WeakPolarHBondContact O-CB 3.47Å; I272-C275 PolarHBondContact O-N 2.86Å; I272-C275 VanDerWaalsContact O-N 3.09Å
276	K	79.9	Confident	73	Confident	100 Å²	100	56.3 Å²	56.3	44%	0.435	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	144.3	172.3	-65.6	-174.2	177.4	-173.9	0	109.8	D264	D264-K276 PolarHBondContact N-O 2.96Å; D264-K276 PolarHBondContact O-N 3.22Å
277	L	72.1	Confident	71.3	Confident	37 Å²	37	57.5 Å²	57.5	19%	0.194	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	130.7	169.1	-66.6	176.3	0	0	0	109.1	L179 I181 W259 F261	L179-L277 HydrophobicContact CB-CD1 3.94Å; L179-L277 WeakPolarHBondContact O-CD1 3.35Å; L179-L277 WeakPolarHBondContact O-CG 3.41Å; I181-L277 HydrophobicContact CB-CD1 3.58Å; I181-L277 HydrophobicContact CB-CD2 4.49Å; I181-L277 HydrophobicContact CD1-CD1 3.46Å; I181-L277 VanDerWaalsContact CD1-CD1 3.46Å; I181-L277 HydrophobicContact CG1-CD1 3.37Å; W259-L277 HydrophobicContact CH2-CD2 3.75Å; W259-L277 HydrophobicContact CZ3-CD2 4.23Å; F261-L277 HydrophobicContact CB-CD2 4.23Å
278	G	66.3	Low	69.5	Low	13 Å²	13	63.7 Å²	63.7	13%	0.134	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	178.7	169.8	0	0	0	0	0	111.5	S262	S262-G278 PolarHBondContact O-N 2.82Å; S262-G278 VanDerWaalsContact OG-C 3.29Å; S262-G278 VanDerWaalsContact OG-CA 3.27Å; S262-G278 WeakPolarHBondContact OG-CA 3.1Å
279	P	65.6	Low	67.8	Low	87 Å²	87	65.5 Å²	65.5	57%	0.565	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.1	149.2	-179.9	24	-33.4	0	0	0	111.6	S262 V281	S262-P279 WeakPolarHBondContact OG-CD 3.35Å; S262-P279 PolarHBondContact OG-O 3.05Å; S262-P279 VanDerWaalsContact OG-O 3.04Å; P279-V281 PolarHBondContact O-N 2.73Å
280	Q	66.2	Low	66.6	Low	120 Å²	120	65.8 Å²	65.8	56%	0.561	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.7	128.2	172.3	-85.6	-167.1	-24.8	0	0	109.8	F261 S282	F261-Q280 HydrophobicContact CD1-CG 3.78Å; F261-Q280 HydrophobicContact CE1-CG 3.48Å; F261-Q280 VanDerWaalsContact CE1-CG 3.48Å; F261-Q280 HydrophobicContact CZ-CG 4.32Å; Q280-S282 PolarHBondContact O-N 2.98Å
281	V	65.7	Low	66.1	Low	13 Å²	13	65.7 Å²	65.7	8%	0.079	36%	0.36	C	S	.	.			trans	-74	104.5	178.5	-174.7	0	0	0	0	106.8	C218 P260 P279 L283 C291	C218-V281 HydrophobicContact CB-CG1 4.18Å; C218-V281 HydrophobicContact CB-CG2 4.03Å; P260-V281 PolarHBondContact O-N 3.34Å; P279-V281 PolarHBondContact O-N 2.73Å; V281-L283 PolarHBondContact O-N 3.39Å; V281-L283 VanDerWaalsContact O-N 3.16Å; V281-C291 VanDerWaalsContact CG1-CA 3.41Å; V281-C291 HydrophobicContact CG1-CB 3.84Å
282	S	56.9	Low	65.4	Low	61 Å²	61	67.5 Å²	67.5	43%	0.427	37%	0.369	S	S	.	.			trans	-29.9	112.4	-172	63.8	0	0	0	0	114.1	Q280 D284	Q280-S282 PolarHBondContact O-N 2.98Å; S282-D284 PolarHBondContact O-N 3.13Å
283	L	54.5	Low	65.1	Low	105 Å²	105	74.9 Å²	74.9	55%	0.55	41%	0.408	S	S	.	.			trans	-79.4	104.1	161.1	-80.9	154.3	0	0	0	106.7	V281 P285 T290	V281-L283 PolarHBondContact O-N 3.39Å; V281-L283 VanDerWaalsContact O-N 3.16Å; L283-P285 WeakPolarHBondContact O-CD 3.5Å; L283-T290 HydrophobicContact CD2-CG2 3.85Å
284	D	51.5	Low	65.2	Low	45 Å²	45	74.8 Å²	74.8	24%	0.241	41%	0.409	C	S	.	.			trans	-70.2	109.6	162.8	-178.9	-15.2	0	0	0	107.2	S282 M286 K287 N288	S282-D284 PolarHBondContact O-N 3.13Å; D284-M286 PolarHBondContact O-N 3.04Å; D284-M286 VanDerWaalsContact O-N 3.08Å; D284-M286 WeakPolarHBondContact OD1-CB 3.3Å; D284-M286 PolarHBondContact OD1-N 3.24Å; D284-K287 HydrophobicContact CB-CB 4.23Å; D284-K287 PolarHBondContact O-N 3.29Å; D284-K287 VanDerWaalsContact OD2-CD 3.26Å; D284-K287 WeakPolarHBondContact OD2-CD 3.5Å; D284-K287 WeakPolarHBondContact OD2-CG 3.49Å; D284-K287 IonicContact OD2-NZ 3.04Å; D284-N288 PolarHBondContact O-N 2.81Å
285	P	50.5	Low	65.7	Low	120 Å²	120	74.8 Å²	74.8	78%	0.779	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-20.1	-176	-17.7	31.8	0	0	0	112.5	L283	L283-P285 WeakPolarHBondContact O-CD 3.5Å
286	M	49.9	Very low	66.2	Low	181 Å²	181	74.3 Å²	74.3	89%	0.892	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.3	-19.5	-178.5	-63.8	-149.2	-178.5	0	0	113.9	D284	D284-M286 PolarHBondContact O-N 3.04Å; D284-M286 VanDerWaalsContact O-N 3.08Å; D284-M286 WeakPolarHBondContact OD1-CB 3.3Å; D284-M286 PolarHBondContact OD1-N 3.24Å
287	K	54	Low	66.8	Low	132 Å²	132	69.6 Å²	69.6	57%	0.574	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.6	-9.3	-174.2	-66.6	-176.8	-168.7	159.8	0	115.6	D284 V289	D284-K287 HydrophobicContact CB-CB 4.23Å; D284-K287 PolarHBondContact O-N 3.29Å; D284-K287 VanDerWaalsContact OD2-CD 3.26Å; D284-K287 WeakPolarHBondContact OD2-CD 3.5Å; D284-K287 WeakPolarHBondContact OD2-CG 3.49Å; D284-K287 IonicContact OD2-NZ 3.04Å; K287-V289 HydrophobicContact CB-CB 4.47Å; K287-V289 HydrophobicContact CB-CG2 3.95Å; K287-V289 PolarHBondContact O-N 3.24Å
288	N	53.6	Low	67.8	Low	136 Å²	136	67.9 Å²	67.9	73%	0.727	37%	0.372	S	S	*	.			trans	51.7	27.7	-174.6	-85.3	-23.1	0	0	0	112.9	D284	D284-N288 PolarHBondContact O-N 2.81Å
289	V	56.7	Low	69.2	Low	63 Å²	63	67.3 Å²	67.3	38%	0.382	37%	0.366	S	S	.	.			trans	-93.7	119.3	177.3	177	0	0	0	0	107.6	K287 E292	K287-V289 HydrophobicContact CB-CB 4.47Å; K287-V289 HydrophobicContact CB-CG2 3.95Å; K287-V289 PolarHBondContact O-N 3.24Å; V289-E292 HydrophobicContact CG1-CB 4.37Å
290	T	64.8	Low	70.6	Confident	33 Å²	33	63.2 Å²	63.2	20%	0.202	34%	0.34	C	S	.	.	S	Bend	trans	-97.8	133	168.3	48.6	0	0	0	0	106.6	Y258 L283	Y258-T290 WeakPolarHBondContact CD2-O 3.4Å; Y258-T290 WeakPolarHBondContact CE2-O 3.48Å; Y258-T290 PolarHBondContact N-OG1 3.26Å; L283-T290 HydrophobicContact CD2-CG2 3.85Å
291	C	75.9	Confident	72	Confident	5 Å²	5	57.5 Å²	57.5	3%	0.034	31%	0.313	C	S	.	.	S	Bend	trans	66.1	61.2	-177.8	-167	0	0	0	0	115.1	C218 Y258 V281 N293 G294	C218-C291 HydrophobicContact CB-CB 3.74Å; C218-C291 WeakPolarHBondContact CB-SG 3.27Å; C218-C291 WeakPolarHBondContact SG-CB 3.46Å; C218-C291 CovalentContact SG-SG 2.03Å; C218-C291 PolarHBondContact SG-SG 2.93Å; Y258-C291 HydrophobicContact CD1-CB 3.86Å; Y258-C291 HydrophobicContact CD2-CB 3.49Å; Y258-C291 VanDerWaalsContact CD2-CB 3.49Å; Y258-C291 HydrophobicContact CE1-CB 3.99Å; Y258-C291 HydrophobicContact CE2-CB 3.6Å; Y258-C291 HydrophobicContact CG-CB 3.59Å; V281-C291 VanDerWaalsContact CG1-CA 3.41Å; V281-C291 HydrophobicContact CG1-CB 3.84Å; C291-N293 PolarHBondContact O-N 2.95Å; C291-G294 PolarHBondContact O-N 2.79Å; C291-G294 VanDerWaalsContact O-N 3.12Å; C291-G294 WeakPolarHBondContact SG-CA 3.43Å
292	E	71.8	Confident	73.3	Confident	82 Å²	82	59.7 Å²	59.7	38%	0.383	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	122.7	177.5	-170.3	175.3	-154.7	0	0	111.8	K220 V289 G294	K220-E292 WeakPolarHBondContact CE-O 3.25Å; K220-E292 PolarHBondContact NZ-O 3.29Å; V289-E292 HydrophobicContact CG1-CB 4.37Å; E292-G294 PolarHBondContact O-N 2.84Å
293	N	75.3	Confident	74.9	Confident	159 Å²	159	57.8 Å²	57.8	85%	0.85	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	8.1	-175.3	-56.5	-43.9	0	0	0	116.6	C291	C291-N293 PolarHBondContact O-N 2.95Å
294	G	78.6	Confident	76.4	Confident	11 Å²	11	53 Å²	53	11%	0.113	29%	0.288	C	S	.	.			trans	-101.4	166.4	173.1	0	0	0	0	0	113.3	D219 Y258 C291 E292	D219-G294 WeakPolarHBondContact OD1-CA 3.45Å; Y258-G294 PolarHBondContact OH-O 2.84Å; C291-G294 PolarHBondContact O-N 2.79Å; C291-G294 VanDerWaalsContact O-N 3.12Å; C291-G294 WeakPolarHBondContact SG-CA 3.43Å; E292-G294 PolarHBondContact O-N 2.84Å
295	L	88.6	Confident	77.8	Confident	54 Å²	54	55.7 Å²	55.7	28%	0.283	30%	0.299	S	S	.	.			trans	-115.7	167.4	177.7	-58.6	172.7	0	0	0	110.4	D219 K248 A251 Y258 A297	D219-L295 VanDerWaalsContact CB-O 3.3Å; D219-L295 WeakPolarHBondContact CB-O 3.38Å; D219-L295 VanDerWaalsContact CG-N 3.32Å; D219-L295 VanDerWaalsContact CG-O 3.22Å; D219-L295 PolarHBondContact N-O 3.17Å; D219-L295 PolarHBondContact OD1-N 2.94Å; D219-L295 VanDerWaalsContact OD1-O 3.14Å; D219-L295 WeakPolarHBondContact OD2-CB 3.36Å; D219-L295 PolarHBondContact OD2-N 3.49Å; K248-L295 HydrophobicContact CB-CD1 3.97Å; K248-L295 HydrophobicContact CD-CD1 4.3Å; K248-L295 HydrophobicContact CG-CD1 3.88Å; K248-L295 HydrophobicContact CG-CD2 4.43Å; A251-L295 HydrophobicContact CB-CD2 3.76Å; Y258-L295 VanDerWaalsContact OH-C 3.22Å; Y258-L295 WeakPolarHBondContact OH-CA 3.07Å; L295-A297 PolarHBondContact O-N 3.07Å
296	P	91.3	Very high	79.2	Confident	3 Å²	3	53.8 Å²	53.8	2%	0.019	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-61.1	131.9	168.8	-23.6	36.7	0	0	0	110.9	Y205 Q216 I217 A251 Q256 Y258 V298	Y205-P296 HydrophobicContact CD1-CB 3.62Å; Y205-P296 HydrophobicContact CD1-CG 4.47Å; Y205-P296 HydrophobicContact CD2-CB 4.06Å; Y205-P296 HydrophobicContact CD2-CG 4.37Å; Y205-P296 HydrophobicContact CE1-CB 3.79Å; Y205-P296 HydrophobicContact CE1-CG 4.23Å; Y205-P296 HydrophobicContact CE2-CB 4.23Å; Y205-P296 HydrophobicContact CE2-CG 4.15Å; Y205-P296 HydrophobicContact CG-CB 3.79Å; Q216-P296 HydrophobicContact CB-CB 4.1Å; Q216-P296 HydrophobicContact CB-CG 4.48Å; Q216-P296 HydrophobicContact CG-CB 4.08Å; Q216-P296 HydrophobicContact CG-CG 4.3Å; I217-P296 WeakPolarHBondContact O-CA 3.45Å; A251-P296 HydrophobicContact CB-CG 4.42Å; Q256-P296 HydrophobicContact CG-CG 3.96Å; Y258-P296 HydrophobicContact CE1-CB 4.44Å; Y258-P296 HydrophobicContact CE1-CG 4.16Å; Y258-P296 VanDerWaalsContact OH-CD 3.26Å; Y258-P296 WeakPolarHBondContact OH-CD 3.07Å; P296-V298 WeakPolarHBondContact O-CG2 3.35Å; P296-V298 PolarHBondContact O-N 2.72Å
297	A	92.7	Very high	80.9	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.008	25%	0.245	C	C	.	.			trans	-57.6	133.3	172.1	0	0	0	0	0	110.1	Y205 V206 I217 W222 L295	Y205-A297 WeakPolarHBondContact CA-O 3.48Å; V206-A297 PolarHBondContact N-O 3.47Å; I217-A297 HydrophobicContact CB-CB 4.12Å; I217-A297 HydrophobicContact CG2-CB 4.36Å; I217-A297 PolarHBondContact O-N 3.31Å; W222-A297 HydrophobicContact CD2-CB 3.63Å; W222-A297 HydrophobicContact CE3-CB 3.81Å; W222-A297 HydrophobicContact CG-CB 3.99Å; W222-A297 HydrophobicContact CZ2-CB 4.42Å; W222-A297 HydrophobicContact CZ3-CB 4.28Å; L295-A297 PolarHBondContact O-N 3.07Å
298	V	94.3	Very high	82	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.012	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	134.9	-179	-172	0	0	0	0	108.4	G204 Y205 Y242 Y247 P296	G204-V298 WeakPolarHBondContact O-CA 3.44Å; Y205-V298 HydrophobicContact CD1-CG2 3.85Å; Y205-V298 HydrophobicContact CE1-CG2 3.86Å; Y242-V298 HydrophobicContact CD1-CB 4.45Å; Y242-V298 HydrophobicContact CD1-CG1 4.24Å; Y242-V298 HydrophobicContact CD2-CB 4.21Å; Y242-V298 HydrophobicContact CD2-CG1 3.87Å; Y242-V298 HydrophobicContact CE1-CB 3.97Å; Y242-V298 HydrophobicContact CE1-CG1 4.27Å; Y242-V298 HydrophobicContact CE2-CB 3.68Å; Y242-V298 HydrophobicContact CE2-CG1 3.88Å; Y242-V298 HydrophobicContact CE2-CG2 3.84Å; Y242-V298 HydrophobicContact CG-CG1 4.06Å; Y247-V298 HydrophobicContact CD1-CG1 4.2Å; Y247-V298 HydrophobicContact CD1-CG2 3.96Å; Y247-V298 HydrophobicContact CD2-CG1 4.1Å; Y247-V298 HydrophobicContact CD2-CG2 4.39Å; Y247-V298 HydrophobicContact CE1-CG1 4.03Å; Y247-V298 HydrophobicContact CE2-CG1 3.96Å; Y247-V298 HydrophobicContact CG-CG1 4.21Å; Y247-V298 HydrophobicContact CG-CG2 3.84Å; P296-V298 WeakPolarHBondContact O-CG2 3.35Å; P296-V298 PolarHBondContact O-N 2.72Å
299	V	95.2	Very high	82.6	Confident	0 Å²	0	37 Å²	37	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	144.2	168.1	-66.4	0	0	0	0	109.7	I188 E203 G204 V206 W222 V230	I188-V299 HydrophobicContact CD1-CG2 3.75Å; I188-V299 HydrophobicContact CG1-CG2 3.81Å; I188-V299 HydrophobicContact CG2-CG2 4.02Å; E203-V299 VanDerWaalsContact CA-O 3.27Å; E203-V299 WeakPolarHBondContact CA-O 3.32Å; E203-V299 WeakPolarHBondContact CG-O 3.27Å; G204-V299 PolarHBondContact N-O 3.15Å; G204-V299 VanDerWaalsContact N-O 3.1Å; G204-V299 PolarHBondContact O-N 3.14Å; G204-V299 VanDerWaalsContact O-N 3.1Å; V206-V299 HydrophobicContact CG2-CB 4.25Å; V206-V299 HydrophobicContact CG2-CG1 3.54Å; V206-V299 HydrophobicContact CG2-CG2 3.79Å; W222-V299 HydrophobicContact CZ2-CG1 3.85Å; V230-V299 HydrophobicContact CB-CG1 4.03Å; V230-V299 HydrophobicContact CG1-CB 4.4Å; V230-V299 HydrophobicContact CG1-CG1 3.88Å; V230-V299 HydrophobicContact CG1-CG2 4.03Å
300	S	94.9	Very high	82.9	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.014	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	116.2	168.6	-167.2	0	0	0	0	107.4	T202 E203 E239 R240	T202-S300 CarbonylContact O-C 3.57Å; T202-S300 WeakPolarHBondContact O-CA 3.21Å; E203-S300 WeakPolarHBondContact OE2-CB 3.18Å; E203-S300 PolarHBondContact OE2-OG 2.63Å; E239-S300 CarbonylContact C-O 3.56Å; E239-S300 WeakPolarHBondContact CA-O 3.46Å; R240-S300 WeakPolarHBondContact CG-OG 2.98Å; R240-S300 PolarHBondContact N-O 2.89Å; R240-S300 PolarHBondContact NE-OG 3.3Å; R240-S300 VanDerWaalsContact NE-OG 3.16Å
301	C	94.9	Very high	82.5	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	152.2	-171.6	-52.8	0	0	0	0	111.4	T202 C231 F236 G238	T202-C301 PolarHBondContact O-N 3.42Å; C231-C301 WeakPolarHBondContact CA-SG 3.47Å; C231-C301 HydrophobicContact CB-CB 3.79Å; C231-C301 WeakPolarHBondContact CB-SG 3.43Å; C231-C301 WeakPolarHBondContact SG-CA 3.21Å; C231-C301 WeakPolarHBondContact SG-CB 3.03Å; C231-C301 CovalentContact SG-SG 2.05Å; C231-C301 PolarHBondContact SG-SG 2.92Å; F236-C301 HydrophobicContact CB-CB 3.62Å; F236-C301 HydrophobicContact CD1-CB 4.14Å; F236-C301 HydrophobicContact CD2-CB 3.42Å; F236-C301 VanDerWaalsContact CD2-CB 3.42Å; F236-C301 HydrophobicContact CE2-CB 4.05Å; F236-C301 HydrophobicContact CG-CB 3.45Å; F236-C301 VanDerWaalsContact CG-CB 3.45Å; G238-C301 WeakPolarHBondContact O-CA 3.3Å
302	V	92.6	Very high	81.4	Confident	59 Å²	59	41.1 Å²	41.1	36%	0.358	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	116.8	175.1	-177.9	0	0	0	0	108.1	P237 G238 R240	P237-V302 VanDerWaalsContact CD-O 3.31Å; P237-V302 WeakPolarHBondContact CD-O 3.33Å; G238-V302 PolarHBondContact O-N 3.26Å; R240-V302 HydrophobicContact CB-CG2 3.9Å; R240-V302 HydrophobicContact CG-CG2 4.19Å
303	P	90.7	Very high	80.3	Confident	20 Å²	20	41.3 Å²	41.3	13%	0.13	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-67.5	137.8	173.3	28.3	-32.4	0	0	0	110.8	T202 F236	T202-P303 HydrophobicContact CG2-CB 4.42Å; T202-P303 HydrophobicContact CG2-CG 4.35Å; F236-P303 HydrophobicContact CD1-CB 4.47Å; F236-P303 HydrophobicContact CE1-CB 4.4Å
304	G	86.8	Confident	79.1	Confident	5 Å²	5	42 Å²	42	5%	0.052	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-59.4	160.2	166.9	0	0	0	0	0	111.6	V306 F307 S308 G368	G304-V306 VanDerWaalsContact C-N 3.26Å; G304-V306 PolarHBondContact O-N 3.43Å; G304-F307 CarbonylContact O-C 3.58Å; G304-F307 PolarHBondContact O-N 3.39Å; G304-S308 PolarHBondContact O-N 3.34Å; G304-S308 VanDerWaalsContact O-N 3.13Å; G304-G368 VanDerWaalsContact CA-O 3.27Å; G304-G368 WeakPolarHBondContact CA-O 3.3Å
305	Q	81.6	Confident	77.8	Confident	101 Å²	101	45.2 Å²	45.2	47%	0.472	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-54.9	-42.6	-173.8	-63.3	-174	9.1	0	0	112.5	F307 S308	Q305-F307 VanDerWaalsContact C-N 3.26Å; Q305-F307 PolarHBondContact O-N 3.4Å; Q305-S308 PolarHBondContact O-N 3.22Å
306	V	79.9	Confident	75.9	Confident	81 Å²	81	52.9 Å²	52.9	49%	0.491	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-65.5	-27.5	-179.5	-178.8	0	0	0	0	112.5	G304 L516	G304-V306 VanDerWaalsContact C-N 3.26Å; G304-V306 PolarHBondContact O-N 3.43Å; V306-L516 HydrophobicContact CG1-CD1 3.94Å; V306-L516 HydrophobicContact CG1-CD2 3.82Å; V306-L516 HydrophobicContact CG1-CG 4.3Å
307	F	84.8	Confident	73.6	Confident	11 Å²	11	62.9 Å²	62.9	5%	0.048	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-106.8	9.1	-176.8	-52.5	-73.6	0	0	0	113.4	G304 Q305 I334 F369 T426 P427 M429	G304-F307 CarbonylContact O-C 3.58Å; G304-F307 PolarHBondContact O-N 3.39Å; Q305-F307 VanDerWaalsContact C-N 3.26Å; Q305-F307 PolarHBondContact O-N 3.4Å; F307-I334 HydrophobicContact CZ-CG2 4.17Å; F307-F369 AromaticContact CE2-CD1 3.66Å; F307-F369 HydrophobicContact CE2-CD1 3.66Å; F307-F369 AromaticContact CE2-CE1 3.69Å; F307-F369 HydrophobicContact CE2-CE1 3.69Å; F307-F369 HydrophobicContact CZ-CD1 4.21Å; F307-F369 HydrophobicContact CZ-CE1 4.01Å; F307-T426 HydrophobicContact CZ-CG2 4.02Å; F307-P427 HydrophobicContact CB-CG 4.17Å; F307-P427 HydrophobicContact CD1-CG 4.48Å; F307-P427 HydrophobicContact CD2-CG 4.05Å; F307-P427 HydrophobicContact CG-CG 3.97Å; F307-M429 HydrophobicContact CB-SD 4.24Å; F307-M429 HydrophobicContact CD1-CG 3.88Å; F307-M429 HydrophobicContact CD1-SD 3.87Å; F307-M429 HydrophobicContact CE1-CG 4.33Å; F307-M429 HydrophobicContact CG-SD 4.49Å
308	S	78	Confident	71.4	Confident	18 Å²	18	66.7 Å²	66.7	13%	0.126	35%	0.351	C	S	.	.			trans	-69.7	127	179.4	179.2	0	0	0	0	111.1	G304 Q305 D310 G311	G304-S308 PolarHBondContact O-N 3.34Å; G304-S308 VanDerWaalsContact O-N 3.13Å; Q305-S308 PolarHBondContact O-N 3.22Å; S308-D310 PolarHBondContact O-N 2.83Å; S308-G311 PolarHBondContact O-N 2.86Å
309	P	65	Low	69.1	Low	68 Å²	68	73.5 Å²	73.5	44%	0.442	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-26.8	179.3	-20.3	30.5	0	0	0	114
310	D	62.7	Low	66.9	Low	70 Å²	70	81.7 Å²	81.7	37%	0.374	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	4.3	179	-66.1	-47.3	0	0	0	112	S308 S313 R314	S308-D310 PolarHBondContact O-N 2.83Å; D310-S313 PolarHBondContact O-OG 3.46Å; D310-R314 VanDerWaalsContact CG-NH2 3.31Å; D310-R314 IonicContact OD1-CZ 3.21Å; D310-R314 IonicContact OD1-NH2 3.67Å; D310-R314 PolarHBondContact OD1-NH2 2.04Å; D310-R314 IonicContact OD2-CZ 3.03Å; D310-R314 IonicContact OD2-NE 3.64Å; D310-R314 IonicContact OD2-NH1 2.84Å; D310-R314 PolarHBondContact OD2-NH1 3.03Å; D310-R314 IonicContact OD2-NH2 3.54Å; D310-R314 PolarHBondContact OD2-NH2 3.31Å; D310-R314 VanDerWaalsContact OD2-NH2 3.15Å
311	G	56.8	Low	64.9	Low	21 Å²	21	88.2 Å²	88.2	22%	0.216	46%	0.455	C	S	.	.			trans	69.2	176.4	-177.7	0	0	0	0	0	114.5	S308 S313	S308-G311 PolarHBondContact O-N 2.86Å; G311-S313 PolarHBondContact O-N 2.89Å
312	P	53.3	Low	63.7	Low	95 Å²	95	94.9 Å²	94.9	62%	0.617	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-69.4	-14.2	177.8	25.4	-32.2	0	0	0	113.4	R314 F315	P312-R314 PolarHBondContact O-N 3.02Å; P312-F315 PolarHBondContact O-N 2.83Å; P312-F315 VanDerWaalsContact O-N 3.15Å
313	S	49.3	Very low	62.9	Low	87 Å²	87	95.2 Å²	95.2	61%	0.608	48%	0.484	S	S	*	.	G	3₁₀ helix	trans	-66.9	-28.6	-174.3	57.5	0	0	0	0	114.2	D310 G311 F315	D310-S313 PolarHBondContact O-OG 3.46Å; G311-S313 PolarHBondContact O-N 2.89Å; S313-F315 VanDerWaalsContact C-N 3.29Å; S313-F315 PolarHBondContact O-N 3.22Å
314	R	49	Very low	62.6	Low	173 Å²	173	97.9 Å²	97.9	65%	0.653	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-74.1	-20.4	175.6	-157.7	-174.1	-84.4	-169.6	6.5	112.7	D310 P312	D310-R314 VanDerWaalsContact CG-NH2 3.31Å; D310-R314 IonicContact OD1-CZ 3.21Å; D310-R314 IonicContact OD1-NH2 3.67Å; D310-R314 PolarHBondContact OD1-NH2 2.04Å; D310-R314 IonicContact OD2-CZ 3.03Å; D310-R314 IonicContact OD2-NE 3.64Å; D310-R314 IonicContact OD2-NH1 2.84Å; D310-R314 PolarHBondContact OD2-NH1 3.03Å; D310-R314 IonicContact OD2-NH2 3.54Å; D310-R314 PolarHBondContact OD2-NH2 3.31Å; D310-R314 VanDerWaalsContact OD2-NH2 3.15Å; P312-R314 PolarHBondContact O-N 3.02Å
315	F	50.4	Low	62.9	Low	78 Å²	78	101.5 Å²	101.5	34%	0.342	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-16.3	-180	-67.3	-81.6	0	0	0	114	P312 S313 K317 A318 Y319	P312-F315 PolarHBondContact O-N 2.83Å; P312-F315 VanDerWaalsContact O-N 3.15Å; S313-F315 VanDerWaalsContact C-N 3.29Å; S313-F315 PolarHBondContact O-N 3.22Å; F315-K317 PolarHBondContact O-N 2.81Å; F315-A318 PolarHBondContact O-N 2.8Å; F315-Y319 PolarHBondContact O-N 3.26Å
316	R	49.1	Very low	63.6	Low	216 Å²	216	96.9 Å²	96.9	82%	0.815	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-24.8	178.9	-88	-173.6	175.1	176.8	-1.5	115.1
317	K	43.9	Very low	64.3	Low	212 Å²	212	95 Å²	95	92%	0.922	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-14.7	177.4	-76	-175.8	177.1	-179.4	0	114	F315	F315-K317 PolarHBondContact O-N 2.81Å
318	A	45.6	Very low	64.9	Low	81 Å²	81	95.7 Å²	95.7	67%	0.669	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-13.3	-175.5	0	0	0	0	0	113.4	F315	F315-A318 PolarHBondContact O-N 2.8Å
319	Y	45.7	Very low	65.8	Low	145 Å²	145	97.7 Å²	97.7	57%	0.569	49%	0.491	S	S	*	.			trans	-128.7	124	-175.7	-126.2	-104.9	0	0	0	110.1	F315	F315-Y319 PolarHBondContact O-N 3.26Å
320	K	49.3	Very low	67.1	Low	172 Å²	172	94.6 Å²	94.6	75%	0.748	47%	0.471	S	S	*	.			trans	-66.7	148.3	160.1	-78.3	178.6	175.7	178.9	0	107.6	E322	K320-E322 PolarHBondContact O-N 2.56Å
321	P	54.1	Low	68.5	Low	139 Å²	139	92.2 Å²	92.2	90%	0.903	46%	0.463	S	S	*	.			trans	-65.1	89.3	167.4	26.5	-30.2	0	0	0	108.2
322	E	69.8	Low	70	Confident	140 Å²	140	91.4 Å²	91.4	65%	0.654	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-83.2	135.9	167.9	-74.7	-178	175.4	0	0	108.1	K320	K320-E322 PolarHBondContact O-N 2.56Å
323	Q	75.5	Confident	71.7	Confident	66 Å²	66	89.7 Å²	89.7	31%	0.308	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-60.2	124.8	178.4	174.6	68.1	51.6	0	0	109.1	L325 L342	Q323-L325 PolarHBondContact O-N 2.79Å; Q323-L342 HydrophobicContact CG-CD2 3.39Å
324	P	84.1	Confident	73.6	Confident	77 Å²	77	87.8 Å²	87.8	50%	0.5	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-64.3	136.6	174	26.8	-34.2	0	0	0	109.6	W347	P324-W347 HydrophobicContact CG-CZ2 4.48Å; P324-W347 VanDerWaalsContact O-CH2 3.31Å; P324-W347 WeakPolarHBondContact O-CH2 3.35Å; P324-W347 WeakPolarHBondContact O-CZ2 3.47Å
325	L	92.8	Very high	75.7	Confident	81 Å²	81	79.8 Å²	79.8	42%	0.424	39%	0.39	S	S	.	.	S	Bend	trans	-97	-11.5	179.1	-55.9	179	0	0	0	113	Q323 V341 L342 I403	Q323-L325 PolarHBondContact O-N 2.79Å; L325-V341 CarbonylContact O-C 3.52Å; L325-V341 WeakPolarHBondContact O-CA 3.17Å; L325-L342 HydrophobicContact CD2-CD2 4.39Å; L325-L342 PolarHBondContact O-N 3.29Å; L325-I403 HydrophobicContact CB-CD1 3.51Å; L325-I403 HydrophobicContact CD1-CD1 3.97Å; L325-I403 HydrophobicContact CG-CD1 4.3Å
326	V	95.6	Very high	77.8	Confident	4 Å²	4	77 Å²	77	2%	0.024	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	143.1	178.6	-175.8	0	0	0	0	109.1	V339 E340 V341 V363 E366 L367 I402	V326-V339 HydrophobicContact CG1-CG1 4.15Å; V326-E340 CarbonylContact C-O 3.34Å; V326-E340 WeakPolarHBondContact CA-O 3.35Å; V326-V341 HydrophobicContact CG2-CG1 4.21Å; V326-V363 HydrophobicContact CG1-CG1 3.97Å; V326-E366 WeakPolarHBondContact CG2-OE1 3.08Å; V326-E366 WeakPolarHBondContact CG2-OE2 3.42Å; V326-L367 WeakPolarHBondContact O-CD2 3.04Å; V326-I402 HydrophobicContact CG2-CG2 3.43Å; V326-I402 VanDerWaalsContact CG2-CG2 3.43Å
327	R	95.4	Very high	80	Confident	40 Å²	40	66.8 Å²	66.8	15%	0.151	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	163.7	172.7	72.3	-169.4	-171	-178.3	2.2	111	E340 W347 G750	R327-E340 HydrophobicContact CG-CB 3.86Å; R327-E340 IonicContact CZ-OE2 2.81Å; R327-E340 PolarHBondContact N-O 2.88Å; R327-E340 IonicContact NE-OE2 3.71Å; R327-E340 PolarHBondContact NE-OE2 3.3Å; R327-E340 IonicContact NH2-OE2 2.87Å; R327-E340 PolarHBondContact NH2-OE2 2.6Å; R327-E340 PolarHBondContact O-N 3.22Å; R327-W347 HydrophobicContact CB-CH2 3.9Å; R327-W347 HydrophobicContact CB-CZ3 3.93Å; R327-W347 HydrophobicContact CG-CD2 4.34Å; R327-W347 HydrophobicContact CG-CE3 3.75Å; R327-W347 HydrophobicContact CG-CH2 3.85Å; R327-W347 HydrophobicContact CG-CZ2 4.41Å; R327-W347 HydrophobicContact CG-CZ3 3.5Å; R327-W347 VanDerWaalsContact CG-CZ3 3.5Å; R327-W347 VanDerWaalsContact CZ-CG 3.43Å; R327-W347 VanDerWaalsContact NH1-CD1 3.3Å; R327-G750 PolarHBondContact NH1-O 3.19Å; R327-G750 PolarHBondContact NH2-O 2.7Å
328	L	96.7	Very high	82.6	Confident	27 Å²	27	57 Å²	57	14%	0.141	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	145	171.6	-55.6	-179.9	0	0	0	110.4	R338 V339 V363 L367 V422	L328-R338 VanDerWaalsContact CA-O 3.29Å; L328-R338 WeakPolarHBondContact CA-O 3.3Å; L328-V339 HydrophobicContact CD2-CG2 4.03Å; L328-V363 HydrophobicContact CD2-CG1 4.14Å; L328-L367 HydrophobicContact CD1-CD1 3.79Å; L328-L367 HydrophobicContact CD2-CD1 4Å; L328-L367 HydrophobicContact CG-CD1 3.56Å; L328-V422 HydrophobicContact CD1-CG2 3.74Å; L328-V422 HydrophobicContact CD2-CG2 3.52Å; L328-V422 HydrophobicContact CG-CG2 4.3Å
329	R	96.9	Very high	85.2	Confident	60 Å²	60	53.2 Å²	53.2	23%	0.226	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	157.1	176.9	-71.7	-58	-169.7	-92	1.7	112.6	G331 G337 R338 D724 S726	R329-G331 PolarHBondContact O-N 2.89Å; R329-G331 VanDerWaalsContact O-N 3.14Å; R329-G337 CarbonylContact O-C 3.59Å; R329-G337 WeakPolarHBondContact O-CA 3.42Å; R329-R338 PolarHBondContact N-O 3.26Å; R329-R338 VanDerWaalsContact N-O 3.11Å; R329-R338 PolarHBondContact O-N 3.31Å; R329-D724 WeakPolarHBondContact CD-OD2 3.49Å; R329-D724 IonicContact NE-OD2 3.88Å; R329-D724 PolarHBondContact NE-OD2 3.1Å; R329-S726 PolarHBondContact NE-OG 2.98Å
330	G	92.6	Very high	87.7	Confident	3 Å²	3	47 Å²	47	3%	0.031	24%	0.242	C	C	.	.	S	Bend	trans	68	6.5	176	0	0	0	0	0	116.4	F484 Q608 S723	G330-F484 WeakPolarHBondContact O-CZ 3.44Å; G330-Q608 PolarHBondContact O-NE2 3.05Å; G330-S723 WeakPolarHBondContact CA-OG 3.39Å
331	G	91.3	Very high	89.9	Confident	20 Å²	20	39 Å²	39	21%	0.206	21%	0.207	C	C	.	.			trans	-91	139.7	-179.6	0	0	0	0	0	113.9	R329 Y333 E336	R329-G331 PolarHBondContact O-N 2.89Å; R329-G331 VanDerWaalsContact O-N 3.14Å; G331-Y333 VanDerWaalsContact C-N 3.31Å; G331-Y333 PolarHBondContact O-N 3.12Å; G331-E336 WeakPolarHBondContact CA-O 2.94Å
332	A	89.8	Confident	91.8	Very high	4 Å²	4	33.1 Å²	33.1	3%	0.033	17%	0.168	C	C	.	.	S	Bend	trans	-70.2	-29.7	179.6	0	0	0	0	0	113.1	R478 F484	A332-R478 VanDerWaalsContact O-CD 3.28Å; A332-R478 WeakPolarHBondContact O-CD 3.42Å; A332-R478 WeakPolarHBondContact O-CG 3.15Å; A332-F484 VanDerWaalsContact CA-CE1 3.45Å; A332-F484 HydrophobicContact CB-CD1 4.28Å; A332-F484 HydrophobicContact CB-CD2 3.78Å; A332-F484 HydrophobicContact CB-CE1 4Å; A332-F484 HydrophobicContact CB-CE2 3.48Å; A332-F484 VanDerWaalsContact CB-CE2 3.48Å; A332-F484 HydrophobicContact CB-CG 4.18Å; A332-F484 HydrophobicContact CB-CZ 3.6Å
333	Y	89.1	Confident	92.8	Very high	58 Å²	58	29.7 Å²	29.7	23%	0.227	15%	0.151	C	C	.	.	S	Bend	trans	-116.7	155.6	-176.2	-51.4	-71.1	0	0	0	111.4	G331 G335 E336 R478 G481 G483 E545	G331-Y333 VanDerWaalsContact C-N 3.31Å; G331-Y333 PolarHBondContact O-N 3.12Å; Y333-G335 PolarHBondContact O-N 3.35Å; Y333-E336 WeakPolarHBondContact O-CB 3.08Å; Y333-E336 PolarHBondContact O-N 3.28Å; Y333-E336 VanDerWaalsContact O-N 3.08Å; Y333-R478 HydrophobicContact CD1-CG 4.3Å; Y333-G481 VanDerWaalsContact OH-C 3.31Å; Y333-G481 PolarHBondContact OH-O 3.36Å; Y333-G483 PolarHBondContact OH-N 2.92Å; Y333-E545 PolarHBondContact OH-OE2 3.25Å
334	I	88.9	Confident	93.3	Very high	48 Å²	48	34.1 Å²	34.1	25%	0.246	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	134.2	174	-70.2	168.8	0	0	0	109.6	F307 E336 F369 T426 L516	F307-I334 HydrophobicContact CZ-CG2 4.17Å; I334-E336 VanDerWaalsContact C-N 3.32Å; I334-F369 HydrophobicContact CG2-CE1 3.54Å; I334-F369 HydrophobicContact CG2-CZ 3.75Å; I334-T426 VanDerWaalsContact O-CG2 3.31Å; I334-T426 WeakPolarHBondContact O-CG2 3.48Å; I334-L516 HydrophobicContact CD1-CD2 3.02Å; I334-L516 HydrophobicContact CD1-CG 4.46Å; I334-L516 HydrophobicContact CG1-CD2 4.46Å
335	G	92	Very high	93.5	Very high	5 Å²	5	31.2 Å²	31.2	5%	0.052	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.6	15.6	-171.8	0	0	0	0	0	113.1	Y333 F369 C424	Y333-G335 PolarHBondContact O-N 3.35Å; G335-F369 VanDerWaalsContact CA-CE2 3.47Å; G335-C424 WeakPolarHBondContact O-CB 3.49Å; G335-C424 PolarHBondContact O-N 3.31Å; G335-C424 PolarHBondContact O-SG 3Å
336	E	94.6	Very high	93.5	Very high	20 Å²	20	30.8 Å²	30.8	9%	0.093	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	144.1	172.2	174.2	167	146.9	0	0	109.8	G331 Y333 I334 L381 V422 R423	G331-E336 WeakPolarHBondContact CA-O 2.94Å; Y333-E336 WeakPolarHBondContact O-CB 3.08Å; Y333-E336 PolarHBondContact O-N 3.28Å; Y333-E336 VanDerWaalsContact O-N 3.08Å; I334-E336 VanDerWaalsContact C-N 3.32Å; E336-L381 HydrophobicContact CG-CD1 3.76Å; E336-L381 HydrophobicContact CG-CD2 4.08Å; E336-L381 WeakPolarHBondContact OE1-CD2 3.43Å; E336-V422 VanDerWaalsContact CA-O 3.3Å; E336-V422 WeakPolarHBondContact CA-O 3.38Å; E336-R423 VanDerWaalsContact CD-CZ 3.45Å; E336-R423 HydrophobicContact CG-CG 3.88Å; E336-R423 IonicContact OE1-CZ 3.91Å; E336-R423 IonicContact OE1-NE 2.75Å; E336-R423 IonicContact OE1-NH1 3.71Å; E336-R423 PolarHBondContact OE1-NH1 3.05Å; E336-R423 IonicContact OE1-NH2 2.67Å; E336-R423 PolarHBondContact OE1-NH2 3.49Å; E336-R423 WeakPolarHBondContact OE2-CD 3.34Å; E336-R423 WeakPolarHBondContact OE2-CG 3.41Å; E336-R423 IonicContact OE2-CZ 2.76Å; E336-R423 IonicContact OE2-NE 2.88Å; E336-R423 IonicContact OE2-NH1 2.57Å; E336-R423 PolarHBondContact OE2-NH1 3.42Å
337	G	97.2	Very high	93.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	152.2	173.7	173.1	0	0	0	0	0	113.8	R329 G421 V422	R329-G337 CarbonylContact O-C 3.59Å; R329-G337 WeakPolarHBondContact O-CA 3.42Å; G337-G421 CarbonylContact O-C 3.57Å; G337-G421 VanDerWaalsContact O-CA 3.23Å; G337-G421 WeakPolarHBondContact O-CA 3.38Å; G337-V422 PolarHBondContact N-O 2.81Å; G337-V422 VanDerWaalsContact N-O 3.07Å; G337-V422 PolarHBondContact O-N 3.15Å
338	R	98.4	Very high	93.6	Very high	8 Å²	8	29.5 Å²	29.5	3%	0.03	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	138.1	165.1	-179.6	179.4	60.2	-105.7	7.3	109.9	L328 R329 E340 T349 G382 Q383 D419	L328-R338 VanDerWaalsContact CA-O 3.29Å; L328-R338 WeakPolarHBondContact CA-O 3.3Å; R329-R338 PolarHBondContact N-O 3.26Å; R329-R338 VanDerWaalsContact N-O 3.11Å; R329-R338 PolarHBondContact O-N 3.31Å; R338-E340 IonicContact CZ-OE1 3.16Å; R338-E340 IonicContact NE-OE1 3.61Å; R338-E340 PolarHBondContact NE-OE1 2.03Å; R338-E340 VanDerWaalsContact NE-OE1 3.15Å; R338-E340 IonicContact NH2-OE1 2.72Å; R338-E340 PolarHBondContact NH2-OE1 3.07Å; R338-T349 HydrophobicContact CG-CG2 4.46Å; R338-G382 WeakPolarHBondContact CD-O 3.39Å; R338-G382 PolarHBondContact NH1-O 3.05Å; R338-Q383 PolarHBondContact NH1-O 3.14Å; R338-D419 HydrophobicContact CG-CB 4.03Å
339	V	98.4	Very high	93.6	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	121.2	178.1	-177.5	0	0	0	0	109.3	V326 L328 V341 V350 W355 V363 A420 V422	V326-V339 HydrophobicContact CG1-CG1 4.15Å; L328-V339 HydrophobicContact CD2-CG2 4.03Å; V339-V341 HydrophobicContact CG1-CG1 4.4Å; V339-V350 HydrophobicContact CG1-CG2 4.09Å; V339-W355 HydrophobicContact CG2-CH2 4.48Å; V339-W355 HydrophobicContact CG2-CZ2 4.11Å; V339-V363 HydrophobicContact CG1-CG1 4.35Å; V339-V363 HydrophobicContact CG1-CG2 4.17Å; V339-V363 HydrophobicContact CG2-CG1 4.25Å; V339-A420 PolarHBondContact N-O 2.9Å; V339-V422 HydrophobicContact CG2-CG1 3.78Å; V339-V422 HydrophobicContact CG2-CG2 4.25Å
340	E	98.2	Very high	93.7	Very high	16 Å²	16	25.4 Å²	25.4	8%	0.075	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	139.3	171.4	-71.6	176	-170.8	0	0	109.7	V326 R327 R338 W347 G348 T349	V326-E340 CarbonylContact C-O 3.34Å; V326-E340 WeakPolarHBondContact CA-O 3.35Å; R327-E340 HydrophobicContact CG-CB 3.86Å; R327-E340 IonicContact CZ-OE2 2.81Å; R327-E340 PolarHBondContact N-O 2.88Å; R327-E340 IonicContact NE-OE2 3.71Å; R327-E340 PolarHBondContact NE-OE2 3.3Å; R327-E340 IonicContact NH2-OE2 2.87Å; R327-E340 PolarHBondContact NH2-OE2 2.6Å; R327-E340 PolarHBondContact O-N 3.22Å; R338-E340 IonicContact CZ-OE1 3.16Å; R338-E340 IonicContact NE-OE1 3.61Å; R338-E340 PolarHBondContact NE-OE1 2.03Å; R338-E340 VanDerWaalsContact NE-OE1 3.15Å; R338-E340 IonicContact NH2-OE1 2.72Å; R338-E340 PolarHBondContact NH2-OE1 3.07Å; E340-W347 HydrophobicContact CB-CE3 4.03Å; E340-W347 WeakPolarHBondContact O-CZ3 3.47Å; E340-G348 CarbonylContact C-O 3.51Å; E340-G348 VanDerWaalsContact CA-O 3.27Å; E340-G348 WeakPolarHBondContact CA-O 3.48Å; E340-T349 HydrophobicContact CG-CG2 4.16Å
341	V	96.6	Very high	93.8	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.012	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	143.3	-179.9	-58.4	0	0	0	0	110.5	L325 V326 V339 W347 G348 V350 H389 L390 I402	L325-V341 CarbonylContact O-C 3.52Å; L325-V341 WeakPolarHBondContact O-CA 3.17Å; V326-V341 HydrophobicContact CG2-CG1 4.21Å; V339-V341 HydrophobicContact CG1-CG1 4.4Å; V341-W347 VanDerWaalsContact C-CE3 3.45Å; V341-W347 WeakPolarHBondContact O-CA 3.4Å; V341-G348 PolarHBondContact N-O 3.01Å; V341-G348 PolarHBondContact O-N 2.79Å; V341-V350 HydrophobicContact CG1-CG2 3.91Å; V341-V350 HydrophobicContact CG2-CG2 4.35Å; V341-H389 HydrophobicContact CG2-CB 3.73Å; V341-H389 PolarHBondContact O-CD2 3.38Å; V341-L390 HydrophobicContact CB-CD1 4.36Å; V341-L390 HydrophobicContact CG1-CD1 3.89Å; V341-L390 HydrophobicContact CG2-CD1 3.85Å; V341-L390 HydrophobicContact CG2-CG 3.96Å; V341-I402 HydrophobicContact CG1-CG2 3.98Å
342	L	94.5	Very high	93.9	Very high	16 Å²	16	25.4 Å²	25.4	8%	0.084	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	113.8	178.1	-178.5	66.1	0	0	0	109.5	Q323 L325 W347	Q323-L342 HydrophobicContact CG-CD2 3.39Å; L325-L342 HydrophobicContact CD2-CD2 4.39Å; L325-L342 PolarHBondContact O-N 3.29Å; L342-W347 HydrophobicContact CB-CD2 3.98Å; L342-W347 HydrophobicContact CB-CE3 3.93Å; L342-W347 HydrophobicContact CB-CH2 3.93Å; L342-W347 HydrophobicContact CB-CZ2 3.99Å; L342-W347 HydrophobicContact CB-CZ3 3.89Å; L342-W347 HydrophobicContact CD1-CD2 4.12Å; L342-W347 HydrophobicContact CD1-CG 4.1Å; L342-W347 HydrophobicContact CD2-CZ2 4.33Å
343	K	89.6	Confident	93.8	Very high	68 Å²	68	28.1 Å²	28.1	30%	0.296	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	135.5	178.3	-167.3	174.4	179.1	-179.4	0	109.1	G345 E346 H389	K343-G345 PolarHBondContact O-N 2.78Å; K343-G345 VanDerWaalsContact O-N 3.08Å; K343-E346 PolarHBondContact N-O 3.07Å; K343-E346 PolarHBondContact O-N 3.26Å; K343-H389 HydrophobicContact CD-CB 4.17Å; K343-H389 PolarHBondContact NZ-O 3.3Å
344	N	87.4	Confident	93.8	Very high	159 Å²	159	29.6 Å²	29.6	85%	0.85	15%	0.151	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	25.4	-177.8	-54	-25.5	0	0	0	114.9	E346	N344-E346 VanDerWaalsContact C-N 3.33Å
345	G	88.6	Confident	94	Very high	17 Å²	17	27.8 Å²	27.8	18%	0.175	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	1.6	-179.1	0	0	0	0	0	115	K343 F752 S753	K343-G345 PolarHBondContact O-N 2.78Å; K343-G345 VanDerWaalsContact O-N 3.08Å; G345-F752 WeakPolarHBondContact O-CA 3.41Å; G345-S753 PolarHBondContact O-N 3.31Å
346	E	92.9	Very high	93.8	Very high	71 Å²	71	29.7 Å²	29.7	33%	0.332	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	136	179.9	-174.7	171.1	-155.4	0	0	111.5	K343 N344 P387 H389 S751 F752	K343-E346 PolarHBondContact N-O 3.07Å; K343-E346 PolarHBondContact O-N 3.26Å; N344-E346 VanDerWaalsContact C-N 3.33Å; E346-P387 HydrophobicContact CG-CG 4.12Å; E346-H389 PolarHBondContact O-NE2 3.17Å; E346-S751 CarbonylContact C-O 3.57Å; E346-S751 WeakPolarHBondContact CA-O 3.27Å; E346-F752 HydrophobicContact CB-CD1 3.91Å; E346-F752 HydrophobicContact CB-CE1 3.97Å; E346-F752 HydrophobicContact CG-CD1 4.01Å; E346-F752 HydrophobicContact CG-CE1 3.85Å
347	W	96.5	Very high	93.5	Very high	15 Å²	15	29.8 Å²	29.8	6%	0.057	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	136	173.7	-71.4	99.5	0	0	0	109.6	P324 R327 E340 V341 L342 G750 S751	P324-W347 HydrophobicContact CG-CZ2 4.48Å; P324-W347 VanDerWaalsContact O-CH2 3.31Å; P324-W347 WeakPolarHBondContact O-CH2 3.35Å; P324-W347 WeakPolarHBondContact O-CZ2 3.47Å; R327-W347 HydrophobicContact CB-CH2 3.9Å; R327-W347 HydrophobicContact CB-CZ3 3.93Å; R327-W347 HydrophobicContact CG-CD2 4.34Å; R327-W347 HydrophobicContact CG-CE3 3.75Å; R327-W347 HydrophobicContact CG-CH2 3.85Å; R327-W347 HydrophobicContact CG-CZ2 4.41Å; R327-W347 HydrophobicContact CG-CZ3 3.5Å; R327-W347 VanDerWaalsContact CG-CZ3 3.5Å; R327-W347 VanDerWaalsContact CZ-CG 3.43Å; R327-W347 VanDerWaalsContact NH1-CD1 3.3Å; E340-W347 HydrophobicContact CB-CE3 4.03Å; E340-W347 WeakPolarHBondContact O-CZ3 3.47Å; V341-W347 VanDerWaalsContact C-CE3 3.45Å; V341-W347 WeakPolarHBondContact O-CA 3.4Å; L342-W347 HydrophobicContact CB-CD2 3.98Å; L342-W347 HydrophobicContact CB-CE3 3.93Å; L342-W347 HydrophobicContact CB-CH2 3.93Å; L342-W347 HydrophobicContact CB-CZ2 3.99Å; L342-W347 HydrophobicContact CB-CZ3 3.89Å; L342-W347 HydrophobicContact CD1-CD2 4.12Å; L342-W347 HydrophobicContact CD1-CG 4.1Å; L342-W347 HydrophobicContact CD2-CZ2 4.33Å; W347-G750 VanDerWaalsContact CD1-O 3.29Å; W347-S751 WeakPolarHBondContact CB-O 3.1Å; W347-S751 PolarHBondContact N-O 2.91Å
348	G	96	Very high	93.4	Very high	2 Å²	2	31.9 Å²	31.9	2%	0.021	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	169.6	175.5	0	0	0	0	0	110.7	E340 V341 P387 H389	E340-G348 CarbonylContact C-O 3.51Å; E340-G348 VanDerWaalsContact CA-O 3.27Å; E340-G348 WeakPolarHBondContact CA-O 3.48Å; V341-G348 PolarHBondContact N-O 3.01Å; V341-G348 PolarHBondContact O-N 2.79Å; G348-P387 CarbonylContact C-O 3.38Å; G348-P387 WeakPolarHBondContact CA-O 3.06Å; G348-H389 WeakPolarHBondContact CA-CD2 3.45Å; G348-H389 PolarHBondContact N-CD2 3.1Å; G348-H389 VanDerWaalsContact N-CD2 3.3Å
349	T	97.3	Very high	93.3	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.012	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-179.6	-173.3	60.3	0	0	0	0	112.3	R338 E340 P387 H389 D419	R338-T349 HydrophobicContact CG-CG2 4.46Å; E340-T349 HydrophobicContact CG-CG2 4.16Å; T349-P387 PolarHBondContact N-O 3.14Å; T349-H389 PolarHBondContact O-N 3.35Å; T349-D419 WeakPolarHBondContact CB-OD1 3.4Å; T349-D419 HydrophobicContact CG2-CB 4.48Å; T349-D419 PolarHBondContact OG1-OD1 3.28Å
350	V	97.2	Very high	93.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	126.9	178.5	176.2	0	0	0	0	107.7	V339 V341 L390 I393 D419 A420	V339-V350 HydrophobicContact CG1-CG2 4.09Å; V341-V350 HydrophobicContact CG1-CG2 3.91Å; V341-V350 HydrophobicContact CG2-CG2 4.35Å; V350-L390 WeakPolarHBondContact CA-O 3.27Å; V350-L390 HydrophobicContact CG1-CB 4.18Å; V350-L390 HydrophobicContact CG2-CB 4.13Å; V350-L390 HydrophobicContact CG2-CD1 3.99Å; V350-L390 HydrophobicContact CG2-CG 4.35Å; V350-I393 HydrophobicContact CG1-CD1 3.4Å; V350-I393 VanDerWaalsContact CG1-CD1 3.4Å; V350-I393 HydrophobicContact CG1-CG1 4.13Å; V350-I393 HydrophobicContact CG2-CD1 4.42Å; V350-D419 WeakPolarHBondContact O-CA 3.28Å; V350-A420 HydrophobicContact CB-CB 4.27Å; V350-A420 HydrophobicContact CG1-CB 4.17Å; V350-A420 WeakPolarHBondContact O-CB 3.04Å; V350-A420 PolarHBondContact O-N 2.86Å
351	C	95.9	Very high	93.1	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-70.3	145.4	174.8	-173.4	0	0	0	0	111.2	D353 I388 L390 N391 C414 E418	C351-D353 VanDerWaalsContact C-N 3.35Å; C351-I388 HydrophobicContact CB-CG2 4Å; C351-L390 PolarHBondContact N-O 3.47Å; C351-N391 HydrophobicContact CB-CB 4.25Å; C351-N391 WeakPolarHBondContact CB-OD1 3.36Å; C351-C414 HydrophobicContact CB-CB 3.7Å; C351-C414 WeakPolarHBondContact CB-SG 3.2Å; C351-C414 WeakPolarHBondContact SG-CB 3.36Å; C351-C414 CovalentContact SG-SG 2.04Å; C351-C414 PolarHBondContact SG-SG 3.43Å; C351-E418 CarbonylContact C-O 3.49Å; C351-E418 WeakPolarHBondContact CA-O 3.5Å
352	D	93.2	Very high	93.2	Very high	22 Å²	22	30.9 Å²	30.9	12%	0.118	16%	0.16	C	C	.	.			trans	-86	-2	-173.8	79.3	52.2	0	0	0	115.4	K354 W355 T377 G378 E418 A420	D352-K354 PolarHBondContact O-N 2.89Å; D352-W355 HydrophobicContact CB-CB 4.15Å; D352-W355 WeakPolarHBondContact O-CB 3.43Å; D352-W355 PolarHBondContact O-N 3.23Å; D352-T377 HydrophobicContact CB-CG2 3.93Å; D352-T377 WeakPolarHBondContact OD2-CB 3.42Å; D352-G378 PolarHBondContact OD2-N 3.3Å; D352-E418 VanDerWaalsContact CB-O 3.31Å; D352-E418 WeakPolarHBondContact CB-O 3.27Å; D352-E418 PolarHBondContact N-O 2.94Å; D352-E418 WeakPolarHBondContact OD2-CA 3.42Å; D352-A420 HydrophobicContact CB-CB 4.05Å
353	D	88.1	Confident	93.3	Very high	62 Å²	62	30.1 Å²	30.1	33%	0.332	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	124	170.4	-82.6	-22.1	0	0	0	110.3	C351 W355 N391 E392	C351-D353 VanDerWaalsContact C-N 3.35Å; D353-W355 PolarHBondContact O-N 3.45Å; D353-W355 VanDerWaalsContact O-N 3.09Å; D353-N391 WeakPolarHBondContact CB-OD1 3.06Å; D353-E392 HydrophobicContact CB-CG 4.02Å; D353-E392 VanDerWaalsContact O-CA 3.25Å; D353-E392 WeakPolarHBondContact O-CA 3.35Å; D353-E392 PolarHBondContact O-N 3.46Å
354	K	88.6	Confident	93.7	Very high	89 Å²	89	26.9 Å²	26.9	39%	0.387	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	19.7	-174.6	-58.4	177.1	-177.7	149.9	0	114.6	D352 D356 E392	D352-K354 PolarHBondContact O-N 2.89Å; K354-D356 PolarHBondContact O-N 2.86Å; K354-E392 HydrophobicContact CD-CB 4.16Å; K354-E392 HydrophobicContact CD-CG 4.17Å; K354-E392 VanDerWaalsContact CE-OE1 3.26Å; K354-E392 WeakPolarHBondContact CE-OE1 3.43Å; K354-E392 IonicContact NZ-OE1 3.85Å; K354-E392 PolarHBondContact NZ-OE1 2.74Å; K354-E392 IonicContact NZ-OE2 3.75Å; K354-E392 PolarHBondContact NZ-OE2 3.09Å
355	W	93	Very high	94.1	Very high	10 Å²	10	21.6 Å²	21.6	4%	0.038	11%	0.11	C	C	.	.			trans	-66.8	120.7	175.6	-175.2	-122.4	0	0	0	111.7	V339 D352 D353 A360 V363 A375 V376 T377 I393 I402 A420 G421 V422	V339-W355 HydrophobicContact CG2-CH2 4.48Å; V339-W355 HydrophobicContact CG2-CZ2 4.11Å; D352-W355 HydrophobicContact CB-CB 4.15Å; D352-W355 WeakPolarHBondContact O-CB 3.43Å; D352-W355 PolarHBondContact O-N 3.23Å; D353-W355 PolarHBondContact O-N 3.45Å; D353-W355 VanDerWaalsContact O-N 3.09Å; W355-A360 HydrophobicContact CZ2-CB 3.85Å; W355-V363 HydrophobicContact CH2-CG2 3.99Å; W355-A375 HydrophobicContact CG-CB 4.5Å; W355-V376 PolarHBondContact NE1-O 3.37Å; W355-T377 HydrophobicContact CB-CG2 4.43Å; W355-I393 HydrophobicContact CE3-CB 4.39Å; W355-I393 HydrophobicContact CZ3-CB 4.33Å; W355-I393 HydrophobicContact CZ3-CD1 4.14Å; W355-I393 HydrophobicContact CZ3-CG2 4.38Å; W355-I402 HydrophobicContact CH2-CD1 3.65Å; W355-I402 HydrophobicContact CZ3-CD1 3.7Å; W355-A420 HydrophobicContact CB-CB 4.45Å; W355-A420 HydrophobicContact CD2-CB 3.81Å; W355-A420 HydrophobicContact CE3-CB 4.39Å; W355-A420 HydrophobicContact CG-CB 3.83Å; W355-A420 HydrophobicContact CZ2-CB 4.46Å; W355-G421 PolarHBondContact NE1-O 3.33Å; W355-V422 HydrophobicContact CZ2-CG1 3.64Å
356	D	87.9	Confident	94.4	Very high	45 Å²	45	23.4 Å²	23.4	24%	0.241	11%	0.114	C	C	.	.			trans	-127.2	167.2	-172.3	72.2	34	0	0	0	113.9	K354 V358 S359 A360	K354-D356 PolarHBondContact O-N 2.86Å; D356-V358 PolarHBondContact O-N 3.4Å; D356-V358 WeakPolarHBondContact OD1-CA 3.39Å; D356-V358 WeakPolarHBondContact OD1-CB 3.34Å; D356-V358 PolarHBondContact OD1-N 2.99Å; D356-S359 PolarHBondContact O-N 2.8Å; D356-S359 WeakPolarHBondContact OD1-CB 3.17Å; D356-S359 PolarHBondContact OD1-N 3.37Å; D356-S359 PolarHBondContact OD1-OG 3.16Å; D356-A360 WeakPolarHBondContact O-CB 3.5Å; D356-A360 PolarHBondContact O-N 2.99Å
357	L	89	Confident	94.5	Very high	21 Å²	21	22.6 Å²	22.6	11%	0.11	11%	0.111	C	C	.	.	H	α-helix	trans	-65.8	-24.3	-177	-163.5	66.8	0	0	0	113.5	A270 S361 A372	A270-L357 HydrophobicContact CB-CD2 3.58Å; A270-L357 HydrophobicContact CB-CG 3.69Å; L357-S361 VanDerWaalsContact O-CB 3.3Å; L357-S361 WeakPolarHBondContact O-CB 3.26Å; L357-S361 PolarHBondContact O-N 2.98Å; L357-S361 PolarHBondContact O-OG 3.34Å; L357-A372 HydrophobicContact CD1-CB 3.86Å
358	V	93.5	Very high	94.3	Very high	44 Å²	44	22.6 Å²	22.6	27%	0.267	12%	0.116	S	C	.	.	H	α-helix	trans	-74.6	-46.8	178.7	176.7	0	0	0	0	109.5	D356 S361 V362 G397	D356-V358 PolarHBondContact O-N 3.4Å; D356-V358 WeakPolarHBondContact OD1-CA 3.39Å; D356-V358 WeakPolarHBondContact OD1-CB 3.34Å; D356-V358 PolarHBondContact OD1-N 2.99Å; V358-S361 WeakPolarHBondContact O-CA 3.38Å; V358-S361 WeakPolarHBondContact O-CB 3.44Å; V358-S361 PolarHBondContact O-N 2.86Å; V358-S361 VanDerWaalsContact O-N 3.11Å; V358-V362 PolarHBondContact O-N 3.31Å; V358-G397 VanDerWaalsContact CG1-CA 3.41Å
359	S	96.4	Very high	94.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-64.3	-44.2	176.9	-54.5	0	0	0	0	111.2	D356 S361 V362 V363 C395	D356-S359 PolarHBondContact O-N 2.8Å; D356-S359 WeakPolarHBondContact OD1-CB 3.17Å; D356-S359 PolarHBondContact OD1-N 3.37Å; D356-S359 PolarHBondContact OD1-OG 3.16Å; S359-S361 VanDerWaalsContact C-N 3.27Å; S359-S361 PolarHBondContact O-N 3.41Å; S359-V362 WeakPolarHBondContact O-CB 3.41Å; S359-V362 PolarHBondContact O-N 2.98Å; S359-V363 PolarHBondContact O-N 2.9Å; S359-C395 WeakPolarHBondContact OG-CB 3.39Å; S359-C395 PolarHBondContact OG-N 3.31Å
360	A	97.1	Very high	94.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-57.6	-38.7	170.2	0	0	0	0	0	112.6	W355 D356 V362 V363 C364 A372 A375 V422	W355-A360 HydrophobicContact CZ2-CB 3.85Å; D356-A360 WeakPolarHBondContact O-CB 3.5Å; D356-A360 PolarHBondContact O-N 2.99Å; A360-V362 VanDerWaalsContact C-N 3.31Å; A360-V362 PolarHBondContact O-N 2.92Å; A360-V363 PolarHBondContact O-N 2.03Å; A360-C364 PolarHBondContact O-N 2.76Å; A360-C364 PolarHBondContact O-SG 2.92Å; A360-C364 VanDerWaalsContact O-SG 3.37Å; A360-A372 HydrophobicContact CB-CB 3.57Å; A360-A375 HydrophobicContact CB-CB 3.86Å; A360-V422 HydrophobicContact CB-CG1 3.6Å
361	S	96.6	Very high	94.1	Very high	5 Å²	5	23.7 Å²	23.7	4%	0.035	12%	0.121	C	C	.	.	H	α-helix	trans	-70.9	-24.3	177.5	-65	0	0	0	0	113.4	L357 V358 S359 R365 A372	L357-S361 VanDerWaalsContact O-CB 3.3Å; L357-S361 WeakPolarHBondContact O-CB 3.26Å; L357-S361 PolarHBondContact O-N 2.98Å; L357-S361 PolarHBondContact O-OG 3.34Å; V358-S361 WeakPolarHBondContact O-CA 3.38Å; V358-S361 WeakPolarHBondContact O-CB 3.44Å; V358-S361 PolarHBondContact O-N 2.86Å; V358-S361 VanDerWaalsContact O-N 3.11Å; S359-S361 VanDerWaalsContact C-N 3.27Å; S359-S361 PolarHBondContact O-N 3.41Å; S361-R365 WeakPolarHBondContact O-CB 3.32Å; S361-R365 PolarHBondContact O-N 2.83Å; S361-R365 VanDerWaalsContact O-N 3.16Å; S361-A372 WeakPolarHBondContact OG-CB 3.14Å; S361-A372 PolarHBondContact OG-N 2.79Å
362	V	97.4	Very high	94.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65.7	-49.5	169.4	175.1	0	0	0	0	109.5	V358 S359 A360 C364 R365 E366 C395 E399	V358-V362 PolarHBondContact O-N 3.31Å; S359-V362 WeakPolarHBondContact O-CB 3.41Å; S359-V362 PolarHBondContact O-N 2.98Å; A360-V362 VanDerWaalsContact C-N 3.31Å; A360-V362 PolarHBondContact O-N 2.92Å; V362-C364 PolarHBondContact O-N 3.28Å; V362-R365 PolarHBondContact O-N 2.79Å; V362-E366 WeakPolarHBondContact O-CB 3.23Å; V362-E366 PolarHBondContact O-N 3.07Å; V362-C395 HydrophobicContact CG2-CB 3.88Å; V362-E399 HydrophobicContact CG1-CB 4.09Å; V362-E399 HydrophobicContact CG2-CB 4.46Å
363	V	97.9	Very high	93.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-57.5	-49	176.7	175.4	0	0	0	0	111.6	V326 L328 V339 W355 S359 A360 R365 E366 L367 I402 V422	V326-V363 HydrophobicContact CG1-CG1 3.97Å; L328-V363 HydrophobicContact CD2-CG1 4.14Å; V339-V363 HydrophobicContact CG1-CG1 4.35Å; V339-V363 HydrophobicContact CG1-CG2 4.17Å; V339-V363 HydrophobicContact CG2-CG1 4.25Å; W355-V363 HydrophobicContact CH2-CG2 3.99Å; S359-V363 PolarHBondContact O-N 2.9Å; A360-V363 PolarHBondContact O-N 2.03Å; V363-R365 VanDerWaalsContact C-N 3.3Å; V363-R365 PolarHBondContact O-N 2.91Å; V363-E366 PolarHBondContact O-N 3.16Å; V363-L367 HydrophobicContact CG1-CD1 3.84Å; V363-L367 WeakPolarHBondContact O-CG 3.07Å; V363-L367 PolarHBondContact O-N 3.33Å; V363-I402 HydrophobicContact CG2-CB 3.98Å; V363-I402 HydrophobicContact CG2-CD1 3.3Å; V363-I402 HydrophobicContact CG2-CG1 4.19Å; V363-I402 HydrophobicContact CG2-CG2 4.42Å; V363-V422 HydrophobicContact CB-CG1 4.37Å; V363-V422 HydrophobicContact CG1-CG1 4.43Å; V363-V422 HydrophobicContact CG1-CG2 4.22Å
364	C	97.4	Very high	94	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-57.6	-44.5	179.4	-70.5	0	0	0	0	111.9	A360 V362 L367 G368 F369 G370 C424	A360-C364 PolarHBondContact O-N 2.76Å; A360-C364 PolarHBondContact O-SG 2.92Å; A360-C364 VanDerWaalsContact O-SG 3.37Å; V362-C364 PolarHBondContact O-N 3.28Å; C364-L367 PolarHBondContact O-N 3.39Å; C364-G368 PolarHBondContact O-N 2.97Å; C364-F369 HydrophobicContact CB-CB 4.29Å; C364-F369 CarbonylContact O-C 3.59Å; C364-F369 WeakPolarHBondContact O-CA 3.34Å; C364-F369 VanDerWaalsContact O-CB 3.25Å; C364-F369 WeakPolarHBondContact O-CB 3.42Å; C364-F369 PolarHBondContact O-N 3.08Å; C364-G370 CarbonylContact C-O 3.48Å; C364-G370 WeakPolarHBondContact CB-O 3.13Å; C364-C424 WeakPolarHBondContact CA-SG 2.99Å; C364-C424 HydrophobicContact CB-CB 3.75Å; C364-C424 WeakPolarHBondContact CB-SG 3.42Å; C364-C424 WeakPolarHBondContact SG-CA 3.19Å; C364-C424 WeakPolarHBondContact SG-CB 3.01Å; C364-C424 CovalentContact SG-SG 2.03Å; C364-C424 PolarHBondContact SG-SG 3.37Å
365	R	95.5	Very high	94.3	Very high	49 Å²	49	21.3 Å²	21.3	19%	0.185	11%	0.108	C	C	.	.	H	α-helix	trans	-70.6	-39.7	-179.9	-178.3	172.4	61	-113.3	-0.4	112.7	R228 P237 S361 V362 V363 L367 G368 G397 E399	R228-R365 VanDerWaalsContact NH2-NH1 3.16Å; P237-R365 HydrophobicContact CB-CG 3.96Å; P237-R365 WeakPolarHBondContact O-CD 3.5Å; P237-R365 VanDerWaalsContact O-CG 3.29Å; P237-R365 WeakPolarHBondContact O-CG 3.34Å; S361-R365 WeakPolarHBondContact O-CB 3.32Å; S361-R365 PolarHBondContact O-N 2.83Å; S361-R365 VanDerWaalsContact O-N 3.16Å; V362-R365 PolarHBondContact O-N 2.79Å; V363-R365 VanDerWaalsContact C-N 3.3Å; V363-R365 PolarHBondContact O-N 2.91Å; R365-L367 VanDerWaalsContact C-N 3.27Å; R365-L367 PolarHBondContact O-N 2.87Å; R365-G368 PolarHBondContact O-N 3.2Å; R365-G397 PolarHBondContact NH2-O 3.31Å; R365-E399 PolarHBondContact NH2-O 2.82Å
366	E	95.4	Very high	94.2	Very high	55 Å²	55	21 Å²	21	26%	0.257	11%	0.107	S	C	.	.	H	α-helix	trans	-56.1	-44	175.2	176.9	172.3	-169.2	0	0	111	V326 V362 V363 G368 K400 S401 I402	V326-E366 WeakPolarHBondContact CG2-OE1 3.08Å; V326-E366 WeakPolarHBondContact CG2-OE2 3.42Å; V362-E366 WeakPolarHBondContact O-CB 3.23Å; V362-E366 PolarHBondContact O-N 3.07Å; V363-E366 PolarHBondContact O-N 3.16Å; E366-G368 PolarHBondContact O-N 3.28Å; E366-K400 WeakPolarHBondContact CB-O 3.45Å; E366-S401 VanDerWaalsContact CD-CA 3.47Å; E366-S401 VanDerWaalsContact OE1-CB 3.24Å; E366-S401 WeakPolarHBondContact OE1-CB 3.39Å; E366-S401 PolarHBondContact OE1-OG 3.23Å; E366-S401 WeakPolarHBondContact OE2-CA 3.41Å; E366-S401 PolarHBondContact OE2-OG 3.4Å; E366-I402 PolarHBondContact OE2-N 3.1Å
367	L	93.9	Very high	94.3	Very high	53 Å²	53	19.2 Å²	19.2	28%	0.277	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	1.4	177.4	-63.9	171.8	0	0	0	114	V326 L328 V363 C364 R365 F369	V326-L367 WeakPolarHBondContact O-CD2 3.04Å; L328-L367 HydrophobicContact CD1-CD1 3.79Å; L328-L367 HydrophobicContact CD2-CD1 4Å; L328-L367 HydrophobicContact CG-CD1 3.56Å; V363-L367 HydrophobicContact CG1-CD1 3.84Å; V363-L367 WeakPolarHBondContact O-CG 3.07Å; V363-L367 PolarHBondContact O-N 3.33Å; C364-L367 PolarHBondContact O-N 3.39Å; R365-L367 VanDerWaalsContact C-N 3.27Å; R365-L367 PolarHBondContact O-N 2.87Å; L367-F369 HydrophobicContact CB-CD2 3.6Å; L367-F369 HydrophobicContact CB-CE2 3.5Å; L367-F369 VanDerWaalsContact CB-CE2 3.5Å; L367-F369 HydrophobicContact CD1-CD2 4.48Å; L367-F369 HydrophobicContact CD1-CE2 4.13Å; L367-F369 HydrophobicContact CG-CE2 4.47Å
368	G	93.3	Very high	94.2	Very high	15 Å²	15	20.1 Å²	20.1	16%	0.155	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	16.4	177.5	0	0	0	0	0	114.8	P237 G304 C364 R365 E366	P237-G368 WeakPolarHBondContact CD-O 3.06Å; G304-G368 VanDerWaalsContact CA-O 3.27Å; G304-G368 WeakPolarHBondContact CA-O 3.3Å; C364-G368 PolarHBondContact O-N 2.97Å; R365-G368 PolarHBondContact O-N 3.2Å; E366-G368 PolarHBondContact O-N 3.28Å
369	F	94.9	Very high	94.1	Very high	18 Å²	18	18.7 Å²	18.7	8%	0.079	10%	0.104	C	C	.	.			trans	-90	-173.9	168.1	-51.3	-64.6	0	0	0	110.9	F236 P237 F307 I334 G335 C364 L367 C424 T426	F236-F369 CarbonylContact C-O 3.56Å; P237-F369 WeakPolarHBondContact CA-O 3.41Å; P237-F369 VanDerWaalsContact CB-O 3.25Å; P237-F369 WeakPolarHBondContact CB-O 3.08Å; P237-F369 WeakPolarHBondContact CD-O 3.04Å; P237-F369 VanDerWaalsContact N-O 3.09Å; F307-F369 AromaticContact CE2-CD1 3.66Å; F307-F369 HydrophobicContact CE2-CD1 3.66Å; F307-F369 AromaticContact CE2-CE1 3.69Å; F307-F369 HydrophobicContact CE2-CE1 3.69Å; F307-F369 HydrophobicContact CZ-CD1 4.21Å; F307-F369 HydrophobicContact CZ-CE1 4.01Å; I334-F369 HydrophobicContact CG2-CE1 3.54Å; I334-F369 HydrophobicContact CG2-CZ 3.75Å; G335-F369 VanDerWaalsContact CA-CE2 3.47Å; C364-F369 HydrophobicContact CB-CB 4.29Å; C364-F369 CarbonylContact O-C 3.59Å; C364-F369 WeakPolarHBondContact O-CA 3.34Å; C364-F369 VanDerWaalsContact O-CB 3.25Å; C364-F369 WeakPolarHBondContact O-CB 3.42Å; C364-F369 PolarHBondContact O-N 3.08Å; L367-F369 HydrophobicContact CB-CD2 3.6Å; L367-F369 HydrophobicContact CB-CE2 3.5Å; L367-F369 VanDerWaalsContact CB-CE2 3.5Å; L367-F369 HydrophobicContact CD1-CD2 4.48Å; L367-F369 HydrophobicContact CD1-CE2 4.13Å; L367-F369 HydrophobicContact CG-CE2 4.47Å; F369-C424 HydrophobicContact CB-CB 3.75Å; F369-C424 HydrophobicContact CD2-CB 4.2Å; F369-C424 HydrophobicContact CG-CB 4.05Å; F369-T426 HydrophobicContact CD1-CG2 3.87Å; F369-T426 HydrophobicContact CE1-CG2 4.33Å
370	G	94.9	Very high	93.8	Very high	2 Å²	2	24 Å²	24	2%	0.021	12%	0.124	C	C	.	.			trans	-80.5	-142.5	173.4	0	0	0	0	0	113.8	G232 G235 C364 N425	G232-G370 CarbonylContact O-C 3.55Å; G232-G370 WeakPolarHBondContact O-CA 3.17Å; G235-G370 VanDerWaalsContact C-CA 3.45Å; G235-G370 VanDerWaalsContact C-N 3.26Å; G235-G370 PolarHBondContact O-N 3.24Å; C364-G370 CarbonylContact C-O 3.48Å; C364-G370 WeakPolarHBondContact CB-O 3.13Å; G370-N425 PolarHBondContact N-O 2.82Å; G370-N425 VanDerWaalsContact N-O 3.08Å
371	S	95.5	Very high	93.6	Very high	7 Å²	7	24.1 Å²	24.1	5%	0.049	13%	0.125	C	C	.	.	S	Bend	trans	-79.1	164.1	169.3	54.4	0	0	0	0	111.6	G232 M233 A270 N425	G232-S371 VanDerWaalsContact C-OG 3.26Å; G232-S371 PolarHBondContact O-N 2.05Å; G232-S371 PolarHBondContact O-OG 3.1Å; M233-S371 PolarHBondContact N-OG 3.1Å; A270-S371 VanDerWaalsContact O-CB 3.27Å; A270-S371 WeakPolarHBondContact O-CB 3.46Å; A270-S371 PolarHBondContact O-OG 3.37Å; S371-N425 WeakPolarHBondContact O-CB 3.32Å; S371-N425 PolarHBondContact O-N 3.24Å; S371-N425 PolarHBondContact O-ND2 3.2Å; S371-N425 VanDerWaalsContact O-ND2 3.15Å; S371-N425 PolarHBondContact OG-ND2 2.85Å; S371-N425 VanDerWaalsContact OG-ND2 3.14Å
372	A	95.6	Very high	93.5	Very high	3 Å²	3	23.9 Å²	23.9	3%	0.025	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	135.7	171.9	0	0	0	0	0	111.1	L357 A360 S361	L357-A372 HydrophobicContact CD1-CB 3.86Å; A360-A372 HydrophobicContact CB-CB 3.57Å; S361-A372 WeakPolarHBondContact OG-CB 3.14Å; S361-A372 PolarHBondContact OG-N 2.79Å
373	K	90.6	Very high	93.5	Very high	105 Å²	105	24.6 Å²	24.6	46%	0.457	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	-38.9	162.5	-63.5	177.6	-175.8	169.4	0	110.7	R423 C424 N425	K373-R423 WeakPolarHBondContact CA-O 3.38Å; K373-R423 HydrophobicContact CB-CB 4.48Å; K373-R423 WeakPolarHBondContact CB-O 3.19Å; K373-R423 PolarHBondContact N-O 2.98Å; K373-C424 WeakPolarHBondContact CE-O 3.47Å; K373-N425 WeakPolarHBondContact CE-OD1 3.37Å; K373-N425 WeakPolarHBondContact CG-OD1 3.4Å
374	E	90.3	Very high	93.4	Very high	16 Å²	16	24.6 Å²	24.6	8%	0.075	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	135.2	-174.5	-179.4	173.6	-176.3	0	0	110.5	R65 K66 V376 R380 R423	R65-E374 WeakPolarHBondContact O-CA 3.4Å; K66-E374 HydrophobicContact CD-CG 4.41Å; K66-E374 WeakPolarHBondContact CE-OE1 3.14Å; K66-E374 WeakPolarHBondContact CE-OE2 3.4Å; K66-E374 HydrophobicContact CG-CB 4.2Å; K66-E374 HydrophobicContact CG-CG 4.02Å; K66-E374 IonicContact NZ-OE1 3.17Å; K66-E374 PolarHBondContact NZ-OE1 2.95Å; K66-E374 IonicContact NZ-OE2 3.12Å; K66-E374 PolarHBondContact NZ-OE2 3.21Å; E374-V376 HydrophobicContact CB-CG2 4.39Å; E374-V376 HydrophobicContact CG-CG2 3.74Å; E374-R380 IonicContact OE1-CZ 3.45Å; E374-R380 IonicContact OE1-NE 2.78Å; E374-R380 IonicContact OE1-NH2 3.25Å; E374-R380 PolarHBondContact OE1-NH2 2.86Å; E374-R423 HydrophobicContact CB-CB 4.12Å; E374-R423 HydrophobicContact CB-CG 4.3Å; E374-R423 PolarHBondContact N-O 3.11Å; E374-R423 PolarHBondContact O-N 3.35Å; E374-R423 VanDerWaalsContact O-N 3.07Å; E374-R423 WeakPolarHBondContact OE2-CD 3.24Å; E374-R423 IonicContact OE2-NE 3.42Å
375	A	93.5	Very high	93.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	107.6	159.9	0	0	0	0	0	107.9	R65 W355 A360	R65-A375 PolarHBondContact O-N 3.42Å; W355-A375 HydrophobicContact CG-CB 4.5Å; A360-A375 HydrophobicContact CB-CB 3.86Å
376	V	91.8	Very high	93.1	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.012	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	139.2	-175.2	-176.8	0	0	0	0	109.5	W355 E374 R380 L381 G421 R423	W355-V376 PolarHBondContact NE1-O 3.37Å; E374-V376 HydrophobicContact CB-CG2 4.39Å; E374-V376 HydrophobicContact CG-CG2 3.74Å; V376-R380 HydrophobicContact CG1-CB 3.75Å; V376-L381 HydrophobicContact CB-CD1 4.27Å; V376-L381 HydrophobicContact CG1-CD1 4.24Å; V376-L381 HydrophobicContact CG1-CG 4.1Å; V376-L381 HydrophobicContact CG2-CD1 3.87Å; V376-L381 HydrophobicContact CG2-CG 4.48Å; V376-G421 WeakPolarHBondContact CB-O 3.33Å; V376-G421 PolarHBondContact N-O 2.94Å; V376-G421 PolarHBondContact O-N 2.74Å; V376-R423 HydrophobicContact CG2-CG 3.96Å
377	T	88.8	Confident	93	Very high	8 Å²	8	25.8 Å²	25.8	5%	0.049	15%	0.148	C	C	.	.			trans	-130.4	168.7	-179.6	65.8	0	0	0	0	109	D352 W355 S379 R380	D352-T377 HydrophobicContact CB-CG2 3.93Å; D352-T377 WeakPolarHBondContact OD2-CB 3.42Å; W355-T377 HydrophobicContact CB-CG2 4.43Å; T377-S379 VanDerWaalsContact C-N 3.34Å; T377-S379 PolarHBondContact O-N 2.88Å; T377-R380 WeakPolarHBondContact O-CG 3.07Å; T377-R380 PolarHBondContact O-NH1 3.18Å; T377-R380 PolarHBondContact OG1-NH1 3.02Å
378	G	86.9	Confident	93.1	Very high	41 Å²	41	24.3 Å²	24.3	42%	0.423	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	34.3	173.1	0	0	0	0	0	112.7	D352 R380 E417	D352-G378 PolarHBondContact OD2-N 3.3Å; G378-R380 PolarHBondContact O-N 2.86Å; G378-E417 CarbonylContact C-O 3.52Å; G378-E417 WeakPolarHBondContact CA-O 3.39Å
379	S	92.2	Very high	93.2	Very high	13 Å²	13	24.7 Å²	24.7	9%	0.091	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.3	29.1	-179.5	-63.3	0	0	0	0	115.3	T377 L381 G382 H416 E417 D419	T377-S379 VanDerWaalsContact C-N 3.34Å; T377-S379 PolarHBondContact O-N 2.88Å; S379-L381 PolarHBondContact O-N 3.19Å; S379-G382 CarbonylContact O-C 3.59Å; S379-G382 WeakPolarHBondContact O-CA 3.35Å; S379-G382 PolarHBondContact O-N 2.84Å; S379-H416 WeakPolarHBondContact CB-O 3.01Å; S379-H416 PolarHBondContact OG-O 3.24Å; S379-E417 PolarHBondContact N-O 3.13Å; S379-E417 PolarHBondContact OG-O 3.37Å; S379-D419 WeakPolarHBondContact CA-O 3.29Å; S379-D419 PolarHBondContact N-O 3.07Å; S379-D419 WeakPolarHBondContact OG-CB 3.49Å; S379-D419 PolarHBondContact OG-N 3.31Å
380	R	89.5	Confident	93.2	Very high	112 Å²	112	24 Å²	24	42%	0.423	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-16.2	-176.8	-71.2	-168.4	-54.8	-90.3	9.8	114.1	E374 V376 T377 G378	E374-R380 IonicContact OE1-CZ 3.45Å; E374-R380 IonicContact OE1-NE 2.78Å; E374-R380 IonicContact OE1-NH2 3.25Å; E374-R380 PolarHBondContact OE1-NH2 2.86Å; V376-R380 HydrophobicContact CG1-CB 3.75Å; T377-R380 WeakPolarHBondContact O-CG 3.07Å; T377-R380 PolarHBondContact O-NH1 3.18Å; T377-R380 PolarHBondContact OG1-NH1 3.02Å; G378-R380 PolarHBondContact O-N 2.86Å
381	L	92.9	Very high	93.1	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.01	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	15.6	176.5	-66.4	175.6	0	0	0	113.1	E336 V376 S379 R423 Q608	E336-L381 HydrophobicContact CG-CD1 3.76Å; E336-L381 HydrophobicContact CG-CD2 4.08Å; E336-L381 WeakPolarHBondContact OE1-CD2 3.43Å; V376-L381 HydrophobicContact CB-CD1 4.27Å; V376-L381 HydrophobicContact CG1-CD1 4.24Å; V376-L381 HydrophobicContact CG1-CG 4.1Å; V376-L381 HydrophobicContact CG2-CD1 3.87Å; V376-L381 HydrophobicContact CG2-CG 4.48Å; S379-L381 PolarHBondContact O-N 3.19Å; L381-R423 HydrophobicContact CD1-CG 4.4Å; L381-Q608 VanDerWaalsContact CA-NE2 3.31Å; L381-Q608 PolarHBondContact O-NE2 2.77Å
382	G	94.7	Very high	92.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.146	C	C	.	.			trans	104.3	147.8	-177.6	0	0	0	0	0	112.3	R338 S379 N606	R338-G382 WeakPolarHBondContact CD-O 3.39Å; R338-G382 PolarHBondContact NH1-O 3.05Å; S379-G382 CarbonylContact O-C 3.59Å; S379-G382 WeakPolarHBondContact O-CA 3.35Å; S379-G382 PolarHBondContact O-N 2.84Å; G382-N606 CarbonylContact C-O 2.96Å; G382-N606 WeakPolarHBondContact CA-O 3.24Å
383	Q	96.9	Very high	92.8	Very high	15 Å²	15	26.4 Å²	26.4	7%	0.07	15%	0.145	C	C	.	.			trans	-83	149.3	178.4	-58.5	-176.8	-21.6	0	0	111.6	R338 H416 N606	R338-Q383 PolarHBondContact NH1-O 3.14Å; Q383-H416 HydrophobicContact CB-CB 4.25Å; Q383-H416 VanDerWaalsContact CG-O 3.26Å; Q383-H416 WeakPolarHBondContact CG-O 3.49Å; Q383-N606 HydrophobicContact CB-CB 3.91Å; Q383-N606 PolarHBondContact N-O 3.2Å; Q383-N606 WeakPolarHBondContact O-CB 3.5Å
384	G	95.8	Very high	93	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.01	15%	0.145	C	C	.	.			trans	-83.2	-174	168	0	0	0	0	0	112.9	D419 N606	G384-D419 WeakPolarHBondContact CA-OD2 3.36Å; G384-D419 PolarHBondContact N-OD2 2.82Å; G384-N606 PolarHBondContact O-ND2 2.85Å
385	I	94.2	Very high	93.2	Very high	57 Å²	57	26 Å²	26	29%	0.292	15%	0.146	S	C	.	.			trans	-142.7	147.7	166.6	-165.8	167.8	0	0	0	108.2	H416 V551	I385-H416 WeakPolarHBondContact CA-NE2 3.39Å; I385-V551 HydrophobicContact CD1-CG1 4.26Å; I385-V551 HydrophobicContact CG2-CG1 3.9Å
386	G	92.9	Very high	93.3	Very high	35 Å²	35	30.2 Å²	30.2	36%	0.361	17%	0.172	S	C	.	.	S	Bend	trans	93.1	-139.2	177.9	0	0	0	0	0	112.8	H416	G386-H416 PolarHBondContact N-NE2 2.89Å; G386-H416 PolarHBondContact O-NE2 3.42Å
387	P	94.7	Very high	93.4	Very high	37 Å²	37	30.2 Å²	30.2	24%	0.24	17%	0.173	C	C	.	.			trans	-78.9	138.2	-170.6	29.6	-33.6	0	0	0	113.5	E346 G348 T349	E346-P387 HydrophobicContact CG-CG 4.12Å; G348-P387 CarbonylContact C-O 3.38Å; G348-P387 WeakPolarHBondContact CA-O 3.06Å; T349-P387 PolarHBondContact N-O 3.14Å
388	I	95.3	Very high	93.6	Very high	21 Å²	21	34.5 Å²	34.5	11%	0.108	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	106.6	164.1	-54.2	176.3	0	0	0	107.9	C351 S411 C414	C351-I388 HydrophobicContact CB-CG2 4Å; I388-S411 PolarHBondContact O-OG 2.79Å; I388-C414 HydrophobicContact CD1-CB 4.02Å
389	H	95.1	Very high	94.1	Very high	23 Å²	23	33.8 Å²	33.8	11%	0.106	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	-30.6	-167.1	-81.9	-40.4	0	0	0	115	V341 K343 E346 G348 T349	V341-H389 HydrophobicContact CG2-CB 3.73Å; V341-H389 PolarHBondContact O-CD2 3.38Å; K343-H389 HydrophobicContact CD-CB 4.17Å; K343-H389 PolarHBondContact NZ-O 3.3Å; E346-H389 PolarHBondContact O-NE2 3.17Å; G348-H389 WeakPolarHBondContact CA-CD2 3.45Å; G348-H389 PolarHBondContact N-CD2 3.1Å; G348-H389 VanDerWaalsContact N-CD2 3.3Å; T349-H389 PolarHBondContact O-N 3.35Å
390	L	94.3	Very high	94.1	Very high	3 Å²	3	41.7 Å²	41.7	2%	0.016	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	143.8	-173.9	-52.2	177	0	0	0	110	V341 V350 C351 I393 F407	V341-L390 HydrophobicContact CB-CD1 4.36Å; V341-L390 HydrophobicContact CG1-CD1 3.89Å; V341-L390 HydrophobicContact CG2-CD1 3.85Å; V341-L390 HydrophobicContact CG2-CG 3.96Å; V350-L390 WeakPolarHBondContact CA-O 3.27Å; V350-L390 HydrophobicContact CG1-CB 4.18Å; V350-L390 HydrophobicContact CG2-CB 4.13Å; V350-L390 HydrophobicContact CG2-CD1 3.99Å; V350-L390 HydrophobicContact CG2-CG 4.35Å; C351-L390 PolarHBondContact N-O 3.47Å; L390-I393 HydrophobicContact CB-CD1 3.83Å; L390-I393 HydrophobicContact CB-CG1 4.2Å; L390-I393 HydrophobicContact CD1-CD1 3.71Å; L390-I393 HydrophobicContact CG-CD1 4.41Å; L390-F407 HydrophobicContact CD2-CD1 3.9Å; L390-F407 HydrophobicContact CD2-CD2 3.59Å; L390-F407 HydrophobicContact CD2-CE1 3.9Å; L390-F407 HydrophobicContact CD2-CE2 3.59Å; L390-F407 HydrophobicContact CD2-CG 3.78Å; L390-F407 HydrophobicContact CD2-CZ 3.75Å
391	N	93.4	Very high	94.4	Very high	10 Å²	10	36.9 Å²	36.9	5%	0.053	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	156.5	175.9	-170.8	15.5	0	0	0	110.3	C351 D353 I393 F407 N408 E410	C351-N391 HydrophobicContact CB-CB 4.25Å; C351-N391 WeakPolarHBondContact CB-OD1 3.36Å; D353-N391 WeakPolarHBondContact CB-OD1 3.06Å; N391-I393 VanDerWaalsContact C-N 3.34Å; N391-I393 PolarHBondContact O-N 3.01Å; N391-F407 WeakPolarHBondContact O-CB 3.45Å; N391-N408 HydrophobicContact CB-CB 4.42Å; N391-N408 PolarHBondContact N-O 3.07Å; N391-N408 PolarHBondContact O-N 3.41Å; N391-E410 PolarHBondContact ND2-O 2.84Å; N391-E410 VanDerWaalsContact ND2-O 3.12Å
392	E	92.1	Very high	94.5	Very high	52 Å²	52	36.8 Å²	36.8	24%	0.243	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	48.1	48.4	174.8	-62.6	-159.1	142.7	0	0	114.6	D353 K354 Q394 N408	D353-E392 HydrophobicContact CB-CG 4.02Å; D353-E392 VanDerWaalsContact O-CA 3.25Å; D353-E392 WeakPolarHBondContact O-CA 3.35Å; D353-E392 PolarHBondContact O-N 3.46Å; K354-E392 HydrophobicContact CD-CB 4.16Å; K354-E392 HydrophobicContact CD-CG 4.17Å; K354-E392 VanDerWaalsContact CE-OE1 3.26Å; K354-E392 WeakPolarHBondContact CE-OE1 3.43Å; K354-E392 IonicContact NZ-OE1 3.85Å; K354-E392 PolarHBondContact NZ-OE1 2.74Å; K354-E392 IonicContact NZ-OE2 3.75Å; K354-E392 PolarHBondContact NZ-OE2 3.09Å; E392-Q394 PolarHBondContact O-N 3.44Å; E392-N408 HydrophobicContact CB-CB 4.05Å; E392-N408 HydrophobicContact CG-CB 4.44Å
393	I	94.1	Very high	94.4	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	129.4	-176.3	-61.3	-172.3	0	0	0	110.8	V350 W355 L390 N391 I402 C405 F407	V350-I393 HydrophobicContact CG1-CD1 3.4Å; V350-I393 VanDerWaalsContact CG1-CD1 3.4Å; V350-I393 HydrophobicContact CG1-CG1 4.13Å; V350-I393 HydrophobicContact CG2-CD1 4.42Å; W355-I393 HydrophobicContact CE3-CB 4.39Å; W355-I393 HydrophobicContact CZ3-CB 4.33Å; W355-I393 HydrophobicContact CZ3-CD1 4.14Å; W355-I393 HydrophobicContact CZ3-CG2 4.38Å; L390-I393 HydrophobicContact CB-CD1 3.83Å; L390-I393 HydrophobicContact CB-CG1 4.2Å; L390-I393 HydrophobicContact CD1-CD1 3.71Å; L390-I393 HydrophobicContact CG-CD1 4.41Å; N391-I393 VanDerWaalsContact C-N 3.34Å; N391-I393 PolarHBondContact O-N 3.01Å; I393-I402 HydrophobicContact CD1-CD1 3.62Å; I393-I402 HydrophobicContact CD1-CG1 3.78Å; I393-I402 HydrophobicContact CG2-CG1 4.29Å; I393-C405 HydrophobicContact CG2-CB 3.91Å; I393-F407 HydrophobicContact CG1-CB 4.01Å
394	Q	93.3	Very high	94.4	Very high	98 Å²	98	44 Å²	44	46%	0.458	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	82.5	179.4	-68.3	172.8	28.1	0	0	110	E392 K406	E392-Q394 PolarHBondContact O-N 3.44Å; Q394-K406 PolarHBondContact N-O 2.9Å
395	C	95.7	Very high	94.4	Very high	13 Å²	13	44.3 Å²	44.3	9%	0.088	24%	0.237	C	C	.	.			trans	-76.5	144.7	174.4	-62	0	0	0	0	111.6	S359 V362 G397 C405	S359-C395 WeakPolarHBondContact OG-CB 3.39Å; S359-C395 PolarHBondContact OG-N 3.31Å; V362-C395 HydrophobicContact CG2-CB 3.88Å; C395-G397 VanDerWaalsContact C-N 3.29Å; C395-C405 VanDerWaalsContact CA-SG 3.6Å; C395-C405 HydrophobicContact CB-CB 4.01Å; C395-C405 WeakPolarHBondContact CB-SG 3.36Å; C395-C405 WeakPolarHBondContact SG-CB 3.36Å; C395-C405 CovalentContact SG-SG 2.03Å; C395-C405 PolarHBondContact SG-SG 2.85Å
396	T	94.9	Very high	94.4	Very high	90 Å²	90	49.4 Å²	49.4	55%	0.552	26%	0.257	S	S	*	.			trans	-76.7	-20.2	167.5	67	0	0	0	0	112.3	T268 N398 E399	T268-T396 WeakPolarHBondContact CG2-O 3.38Å; T396-N398 PolarHBondContact OG1-N 2.97Å; T396-E399 VanDerWaalsContact CB-OE1 3.32Å; T396-E399 WeakPolarHBondContact CB-OE1 3.45Å; T396-E399 WeakPolarHBondContact CG2-OE1 3.41Å; T396-E399 PolarHBondContact N-OE1 2.94Å; T396-E399 PolarHBondContact N-OE2 2.89Å; T396-E399 PolarHBondContact OG1-OE1 3.38Å; T396-E399 PolarHBondContact OG1-OE2 2.95Å
397	G	93.4	Very high	94.4	Very high	2 Å²	2	51.2 Å²	51.2	2%	0.021	26%	0.255	C	S	.	.	S	Bend	trans	95.9	-4.3	-177.6	0	0	0	0	0	114	R228 V358 R365 C395 E399	R228-G397 PolarHBondContact NH2-O 3.3Å; V358-G397 VanDerWaalsContact CG1-CA 3.41Å; R365-G397 PolarHBondContact NH2-O 3.31Å; C395-G397 VanDerWaalsContact C-N 3.29Å; G397-E399 WeakPolarHBondContact CA-OE2 3.34Å; G397-E399 PolarHBondContact N-OE2 3.33Å
398	N	93.9	Very high	94.1	Very high	97 Å²	97	52.2 Å²	52.2	52%	0.519	26%	0.258	S	S	.	.			trans	-100.5	-9.1	179	-69.8	-50.4	0	0	0	114	R228 T396	R228-N398 PolarHBondContact NH1-OD1 3.23Å; T396-N398 PolarHBondContact OG1-N 2.97Å
399	E	96.3	Very high	93.4	Very high	27 Å²	27	54.7 Å²	54.7	13%	0.126	28%	0.282	C	S	.	.			trans	-59.3	148.7	176.3	-59.9	81.5	-174.5	0	0	110.7	V362 R365 T396 G397 D404	V362-E399 HydrophobicContact CG1-CB 4.09Å; V362-E399 HydrophobicContact CG2-CB 4.46Å; R365-E399 PolarHBondContact NH2-O 2.82Å; T396-E399 VanDerWaalsContact CB-OE1 3.32Å; T396-E399 WeakPolarHBondContact CB-OE1 3.45Å; T396-E399 WeakPolarHBondContact CG2-OE1 3.41Å; T396-E399 PolarHBondContact N-OE1 2.94Å; T396-E399 PolarHBondContact N-OE2 2.89Å; T396-E399 PolarHBondContact OG1-OE1 3.38Å; T396-E399 PolarHBondContact OG1-OE2 2.95Å; G397-E399 WeakPolarHBondContact CA-OE2 3.34Å; G397-E399 PolarHBondContact N-OE2 3.33Å; E399-D404 HydrophobicContact CB-CB 4.19Å; E399-D404 HydrophobicContact CG-CB 4.16Å
400	K	92.7	Very high	92.7	Very high	178 Å²	178	60.1 Å²	60.1	77%	0.774	31%	0.307	S	S	*	.	S	Bend	trans	-89.9	-30.1	175.3	-70.2	-176.4	-179.8	176.9	0	111.6	E366	E366-K400 WeakPolarHBondContact CB-O 3.45Å
401	S	95.1	Very high	91.8	Very high	12 Å²	12	61.9 Å²	61.9	8%	0.084	32%	0.32	C	S	.	.	S	Bend	trans	-129.4	149.7	173.7	-179.6	0	0	0	0	111.1	E366 I403 D404	E366-S401 VanDerWaalsContact CD-CA 3.47Å; E366-S401 VanDerWaalsContact OE1-CB 3.24Å; E366-S401 WeakPolarHBondContact OE1-CB 3.39Å; E366-S401 PolarHBondContact OE1-OG 3.23Å; E366-S401 WeakPolarHBondContact OE2-CA 3.41Å; E366-S401 PolarHBondContact OE2-OG 3.4Å; S401-I403 PolarHBondContact O-N 3.3Å; S401-I403 PolarHBondContact OG-N 2.9Å; S401-D404 PolarHBondContact N-OD2 2.91Å; S401-D404 WeakPolarHBondContact O-CB 3.19Å; S401-D404 PolarHBondContact O-N 3.49Å; S401-D404 VanDerWaalsContact O-N 3.13Å
402	I	96.1	Very high	90.9	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-60.2	-26.9	172.8	-171.2	161.6	0	0	0	112.8	V326 V341 W355 V363 E366 I393 D404 C405	V326-I402 HydrophobicContact CG2-CG2 3.43Å; V326-I402 VanDerWaalsContact CG2-CG2 3.43Å; V341-I402 HydrophobicContact CG1-CG2 3.98Å; W355-I402 HydrophobicContact CH2-CD1 3.65Å; W355-I402 HydrophobicContact CZ3-CD1 3.7Å; V363-I402 HydrophobicContact CG2-CB 3.98Å; V363-I402 HydrophobicContact CG2-CD1 3.3Å; V363-I402 HydrophobicContact CG2-CG1 4.19Å; V363-I402 HydrophobicContact CG2-CG2 4.42Å; E366-I402 PolarHBondContact OE2-N 3.1Å; I393-I402 HydrophobicContact CD1-CD1 3.62Å; I393-I402 HydrophobicContact CD1-CG1 3.78Å; I393-I402 HydrophobicContact CG2-CG1 4.29Å; I402-D404 PolarHBondContact O-N 2.99Å; I402-C405 VanDerWaalsContact O-CB 3.28Å; I402-C405 WeakPolarHBondContact O-CB 3.26Å; I402-C405 PolarHBondContact O-N 2.74Å; I402-C405 VanDerWaalsContact O-N 3.07Å
403	I	93.3	Very high	90.4	Very high	60 Å²	60	71.4 Å²	71.4	31%	0.308	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-70.4	-20	179.9	-58.3	169.6	0	0	0	111.2	L325 S401 C405	L325-I403 HydrophobicContact CB-CD1 3.51Å; L325-I403 HydrophobicContact CD1-CD1 3.97Å; L325-I403 HydrophobicContact CG-CD1 4.3Å; S401-I403 PolarHBondContact O-N 3.3Å; S401-I403 PolarHBondContact OG-N 2.9Å; I403-C405 VanDerWaalsContact C-N 3.32Å
404	D	95.1	Very high	90.3	Very high	107 Å²	107	72.2 Å²	72.2	57%	0.572	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-81.2	-12.6	174.2	-56.6	-39	0	0	0	112.6	E399 S401 I402	E399-D404 HydrophobicContact CB-CB 4.19Å; E399-D404 HydrophobicContact CG-CB 4.16Å; S401-D404 PolarHBondContact N-OD2 2.91Å; S401-D404 WeakPolarHBondContact O-CB 3.19Å; S401-D404 PolarHBondContact O-N 3.49Å; S401-D404 VanDerWaalsContact O-N 3.13Å; I402-D404 PolarHBondContact O-N 2.99Å
405	C	95.8	Very high	90.2	Very high	6 Å²	6	70.4 Å²	70.4	4%	0.041	38%	0.383	C	S	.	.	S	Bend	trans	-72.3	158.6	179	-60.7	0	0	0	0	111.1	I393 C395 I402 I403 F407	I393-C405 HydrophobicContact CG2-CB 3.91Å; C395-C405 VanDerWaalsContact CA-SG 3.6Å; C395-C405 HydrophobicContact CB-CB 4.01Å; C395-C405 WeakPolarHBondContact CB-SG 3.36Å; C395-C405 WeakPolarHBondContact SG-CB 3.36Å; C395-C405 CovalentContact SG-SG 2.03Å; C395-C405 PolarHBondContact SG-SG 2.85Å; I402-C405 VanDerWaalsContact O-CB 3.28Å; I402-C405 WeakPolarHBondContact O-CB 3.26Å; I402-C405 PolarHBondContact O-N 2.74Å; I402-C405 VanDerWaalsContact O-N 3.07Å; I403-C405 VanDerWaalsContact C-N 3.32Å; C405-F407 WeakPolarHBondContact O-CD1 3.39Å
406	K	96.1	Very high	90.2	Very high	165 Å²	165	71.1 Å²	71.1	72%	0.717	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	134.9	169.7	-66.7	-178.4	179.1	-178.1	0	108.8	Q394	Q394-K406 PolarHBondContact N-O 2.9Å
407	F	92.9	Very high	89.9	Confident	72 Å²	72	69.9 Å²	69.9	32%	0.316	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	157.5	177.6	64.9	-93.3	0	0	0	110	L390 N391 I393 C405 A409	L390-F407 HydrophobicContact CD2-CD1 3.9Å; L390-F407 HydrophobicContact CD2-CD2 3.59Å; L390-F407 HydrophobicContact CD2-CE1 3.9Å; L390-F407 HydrophobicContact CD2-CE2 3.59Å; L390-F407 HydrophobicContact CD2-CG 3.78Å; L390-F407 HydrophobicContact CD2-CZ 3.75Å; N391-F407 WeakPolarHBondContact O-CB 3.45Å; I393-F407 HydrophobicContact CG1-CB 4.01Å; C405-F407 WeakPolarHBondContact O-CD1 3.39Å; F407-A409 HydrophobicContact CE2-CB 4.33Å
408	N	88.4	Confident	89.8	Confident	58 Å²	58	72.3 Å²	72.3	31%	0.31	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	128.9	167.7	-170.2	-4.3	0	0	0	109.4	N391 E392 E410	N391-N408 HydrophobicContact CB-CB 4.42Å; N391-N408 PolarHBondContact N-O 3.07Å; N391-N408 PolarHBondContact O-N 3.41Å; E392-N408 HydrophobicContact CB-CB 4.05Å; E392-N408 HydrophobicContact CG-CB 4.44Å; N408-E410 VanDerWaalsContact C-N 3.33Å; N408-E410 PolarHBondContact OD1-N 3.03Å
409	A	79	Confident	90	Very high	74 Å²	74	67.8 Å²	67.8	61%	0.612	36%	0.359	S	S	*	.	S	Bend	trans	-80.4	-16.6	178.8	0	0	0	0	0	112.8	F407	F407-A409 HydrophobicContact CE2-CB 4.33Å
410	E	80	Confident	90	Very high	136 Å²	136	66.5 Å²	66.5	64%	0.636	35%	0.353	S	S	*	.			trans	-83.1	114	173.8	-65.5	178.3	-177.1	0	0	109.6	N391 N408	N391-E410 PolarHBondContact ND2-O 2.84Å; N391-E410 VanDerWaalsContact ND2-O 3.12Å; N408-E410 VanDerWaalsContact C-N 3.33Å; N408-E410 PolarHBondContact OD1-N 3.03Å
411	S	75.8	Confident	90.2	Very high	41 Å²	41	58.1 Å²	58.1	29%	0.287	32%	0.317	S	S	.	.			trans	-98.7	12.6	170.2	50	0	0	0	0	112.4	I388 G413 C414	I388-S411 PolarHBondContact O-OG 2.79Å; S411-G413 PolarHBondContact O-N 2.88Å; S411-C414 PolarHBondContact O-N 3.4Å; S411-C414 VanDerWaalsContact O-N 3.09Å
412	Q	75.4	Confident	90.4	Very high	190 Å²	190	57.5 Å²	57.5	89%	0.888	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	104.3	-179.2	-172	169.4	1	0	0	110
413	G	82.2	Confident	90.3	Very high	72 Å²	72	61.3 Å²	61.3	74%	0.742	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	126.5	-22.4	-176.6	0	0	0	0	0	113.5	S411	S411-G413 PolarHBondContact O-N 2.88Å
414	C	91.2	Very high	90.5	Very high	18 Å²	18	58.7 Å²	58.7	12%	0.122	31%	0.314	C	S	.	.			trans	-85.8	145.3	174.8	-63.9	0	0	0	0	111.7	C351 I388 S411 E418	C351-C414 HydrophobicContact CB-CB 3.7Å; C351-C414 WeakPolarHBondContact CB-SG 3.2Å; C351-C414 WeakPolarHBondContact SG-CB 3.36Å; C351-C414 CovalentContact SG-SG 2.04Å; C351-C414 PolarHBondContact SG-SG 3.43Å; I388-C414 HydrophobicContact CD1-CB 4.02Å; S411-C414 PolarHBondContact O-N 3.4Å; S411-C414 VanDerWaalsContact O-N 3.09Å; C414-E418 WeakPolarHBondContact CA-OE2 3.37Å
415	N	91.7	Very high	90.4	Very high	61 Å²	61	54.8 Å²	54.8	33%	0.326	29%	0.294	S	S	.	.			trans	-126.7	-178.4	168.1	70.2	45.3	0	0	0	111.4	E417 E418	N415-E417 PolarHBondContact O-N 2.83Å; N415-E417 WeakPolarHBondContact OD1-CA 3.27Å; N415-E417 WeakPolarHBondContact OD1-CB 3.39Å; N415-E417 WeakPolarHBondContact OD1-CG 3.42Å; N415-E417 PolarHBondContact OD1-N 3.3Å; N415-E418 PolarHBondContact N-OE2 2.62Å; N415-E418 PolarHBondContact O-N 3.16Å; N415-E418 VanDerWaalsContact O-N 3.08Å
416	H	94.8	Very high	90.3	Very high	28 Å²	28	57 Å²	57	13%	0.13	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-76.3	-2.3	-176.5	-75.6	-54.8	0	0	0	114.7	S379 Q383 I385 G386 E418 D419	S379-H416 WeakPolarHBondContact CB-O 3.01Å; S379-H416 PolarHBondContact OG-O 3.24Å; Q383-H416 HydrophobicContact CB-CB 4.25Å; Q383-H416 VanDerWaalsContact CG-O 3.26Å; Q383-H416 WeakPolarHBondContact CG-O 3.49Å; I385-H416 WeakPolarHBondContact CA-NE2 3.39Å; G386-H416 PolarHBondContact N-NE2 2.89Å; G386-H416 PolarHBondContact O-NE2 3.42Å; H416-E418 PolarHBondContact O-N 3.27Å; H416-D419 IonicContact CE1-OD2 3.76Å; H416-D419 IonicContact CG-OD2 4Å; H416-D419 IonicContact ND1-OD1 3.98Å; H416-D419 PolarHBondContact ND1-OD1 2.99Å; H416-D419 IonicContact ND1-OD2 2.75Å; H416-D419 PolarHBondContact ND1-OD2 3.38Å
417	E	88.9	Confident	90	Very high	63 Å²	63	49.4 Å²	49.4	29%	0.294	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-73.7	-13	164.1	-56.6	-178.5	-113.7	0	0	111.9	G378 S379 N415 E664	G378-E417 CarbonylContact C-O 3.52Å; G378-E417 WeakPolarHBondContact CA-O 3.39Å; S379-E417 PolarHBondContact N-O 3.13Å; S379-E417 PolarHBondContact OG-O 3.37Å; N415-E417 PolarHBondContact O-N 2.83Å; N415-E417 WeakPolarHBondContact OD1-CA 3.27Å; N415-E417 WeakPolarHBondContact OD1-CB 3.39Å; N415-E417 WeakPolarHBondContact OD1-CG 3.42Å; N415-E417 PolarHBondContact OD1-N 3.3Å; E417-E664 HydrophobicContact CG-CG 4.36Å
418	E	91.9	Very high	89.7	Confident	54 Å²	54	50.1 Å²	50.1	25%	0.252	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-111.7	20.8	-174.8	-60.9	168.4	117	0	0	112.4	C351 D352 C414 N415 H416 A420	C351-E418 CarbonylContact C-O 3.49Å; C351-E418 WeakPolarHBondContact CA-O 3.5Å; D352-E418 VanDerWaalsContact CB-O 3.31Å; D352-E418 WeakPolarHBondContact CB-O 3.27Å; D352-E418 PolarHBondContact N-O 2.94Å; D352-E418 WeakPolarHBondContact OD2-CA 3.42Å; C414-E418 WeakPolarHBondContact CA-OE2 3.37Å; N415-E418 PolarHBondContact N-OE2 2.62Å; N415-E418 PolarHBondContact O-N 3.16Å; N415-E418 VanDerWaalsContact O-N 3.08Å; H416-E418 PolarHBondContact O-N 3.27Å; E418-A420 PolarHBondContact O-N 3.23Å
419	D	96.4	Very high	89.5	Confident	2 Å²	2	49.5 Å²	49.5	1%	0.011	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-72.4	126.7	178	-67.4	-37.6	0	0	0	111	R338 T349 V350 S379 G384 H416	R338-D419 HydrophobicContact CG-CB 4.03Å; T349-D419 WeakPolarHBondContact CB-OD1 3.4Å; T349-D419 HydrophobicContact CG2-CB 4.48Å; T349-D419 PolarHBondContact OG1-OD1 3.28Å; V350-D419 WeakPolarHBondContact O-CA 3.28Å; S379-D419 WeakPolarHBondContact CA-O 3.29Å; S379-D419 PolarHBondContact N-O 3.07Å; S379-D419 WeakPolarHBondContact OG-CB 3.49Å; S379-D419 PolarHBondContact OG-N 3.31Å; G384-D419 WeakPolarHBondContact CA-OD2 3.36Å; G384-D419 PolarHBondContact N-OD2 2.82Å; H416-D419 IonicContact CE1-OD2 3.76Å; H416-D419 IonicContact CG-OD2 4Å; H416-D419 IonicContact ND1-OD1 3.98Å; H416-D419 PolarHBondContact ND1-OD1 2.99Å; H416-D419 IonicContact ND1-OD2 2.75Å; H416-D419 PolarHBondContact ND1-OD2 3.38Å
420	A	97.2	Very high	89.7	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.284	C	S	.	.			trans	-72.6	144.5	178.7	0	0	0	0	0	112	V339 V350 D352 W355 E418	V339-A420 PolarHBondContact N-O 2.9Å; V350-A420 HydrophobicContact CB-CB 4.27Å; V350-A420 HydrophobicContact CG1-CB 4.17Å; V350-A420 WeakPolarHBondContact O-CB 3.04Å; V350-A420 PolarHBondContact O-N 2.86Å; D352-A420 HydrophobicContact CB-CB 4.05Å; W355-A420 HydrophobicContact CB-CB 4.45Å; W355-A420 HydrophobicContact CD2-CB 3.81Å; W355-A420 HydrophobicContact CE3-CB 4.39Å; W355-A420 HydrophobicContact CG-CB 3.83Å; W355-A420 HydrophobicContact CZ2-CB 4.46Å; E418-A420 PolarHBondContact O-N 3.23Å
421	G	97.8	Very high	89.8	Confident	1 Å²	1	43.6 Å²	43.6	1%	0.01	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	172.8	175.3	0	0	0	0	0	112.8	G337 W355 V376	G337-G421 CarbonylContact O-C 3.57Å; G337-G421 VanDerWaalsContact O-CA 3.23Å; G337-G421 WeakPolarHBondContact O-CA 3.38Å; W355-G421 PolarHBondContact NE1-O 3.33Å; V376-G421 WeakPolarHBondContact CB-O 3.33Å; V376-G421 PolarHBondContact N-O 2.94Å; V376-G421 PolarHBondContact O-N 2.74Å
422	V	97.8	Very high	90.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	150.5	174	-61.8	0	0	0	0	111.7	L328 E336 G337 V339 W355 A360 V363	L328-V422 HydrophobicContact CD1-CG2 3.74Å; L328-V422 HydrophobicContact CD2-CG2 3.52Å; L328-V422 HydrophobicContact CG-CG2 4.3Å; E336-V422 VanDerWaalsContact CA-O 3.3Å; E336-V422 WeakPolarHBondContact CA-O 3.38Å; G337-V422 PolarHBondContact N-O 2.81Å; G337-V422 VanDerWaalsContact N-O 3.07Å; G337-V422 PolarHBondContact O-N 3.15Å; V339-V422 HydrophobicContact CG2-CG1 3.78Å; V339-V422 HydrophobicContact CG2-CG2 4.25Å; W355-V422 HydrophobicContact CZ2-CG1 3.64Å; A360-V422 HydrophobicContact CB-CG1 3.6Å; V363-V422 HydrophobicContact CB-CG1 4.37Å; V363-V422 HydrophobicContact CG1-CG1 4.43Å; V363-V422 HydrophobicContact CG1-CG2 4.22Å
423	R	95.8	Very high	90.6	Very high	79 Å²	79	44.5 Å²	44.5	30%	0.298	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	112.3	159.9	-56.6	-173.6	174.2	-123.2	4.8	108.7	E336 K373 E374 V376 L381	E336-R423 VanDerWaalsContact CD-CZ 3.45Å; E336-R423 HydrophobicContact CG-CG 3.88Å; E336-R423 IonicContact OE1-CZ 3.91Å; E336-R423 IonicContact OE1-NE 2.75Å; E336-R423 IonicContact OE1-NH1 3.71Å; E336-R423 PolarHBondContact OE1-NH1 3.05Å; E336-R423 IonicContact OE1-NH2 2.67Å; E336-R423 PolarHBondContact OE1-NH2 3.49Å; E336-R423 WeakPolarHBondContact OE2-CD 3.34Å; E336-R423 WeakPolarHBondContact OE2-CG 3.41Å; E336-R423 IonicContact OE2-CZ 2.76Å; E336-R423 IonicContact OE2-NE 2.88Å; E336-R423 IonicContact OE2-NH1 2.57Å; E336-R423 PolarHBondContact OE2-NH1 3.42Å; K373-R423 WeakPolarHBondContact CA-O 3.38Å; K373-R423 HydrophobicContact CB-CB 4.48Å; K373-R423 WeakPolarHBondContact CB-O 3.19Å; K373-R423 PolarHBondContact N-O 2.98Å; E374-R423 HydrophobicContact CB-CB 4.12Å; E374-R423 HydrophobicContact CB-CG 4.3Å; E374-R423 PolarHBondContact N-O 3.11Å; E374-R423 PolarHBondContact O-N 3.35Å; E374-R423 VanDerWaalsContact O-N 3.07Å; E374-R423 WeakPolarHBondContact OE2-CD 3.24Å; E374-R423 IonicContact OE2-NE 3.42Å; V376-R423 HydrophobicContact CG2-CG 3.96Å; L381-R423 HydrophobicContact CD1-CG 4.4Å
424	C	96.1	Very high	90.9	Very high	6 Å²	6	47.7 Å²	47.7	4%	0.041	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	155.1	-175.1	-56.5	0	0	0	0	112.9	G335 C364 F369 K373	G335-C424 WeakPolarHBondContact O-CB 3.49Å; G335-C424 PolarHBondContact O-N 3.31Å; G335-C424 PolarHBondContact O-SG 3Å; C364-C424 WeakPolarHBondContact CA-SG 2.99Å; C364-C424 HydrophobicContact CB-CB 3.75Å; C364-C424 WeakPolarHBondContact CB-SG 3.42Å; C364-C424 WeakPolarHBondContact SG-CA 3.19Å; C364-C424 WeakPolarHBondContact SG-CB 3.01Å; C364-C424 CovalentContact SG-SG 2.03Å; C364-C424 PolarHBondContact SG-SG 3.37Å; F369-C424 HydrophobicContact CB-CB 3.75Å; F369-C424 HydrophobicContact CD2-CB 4.2Å; F369-C424 HydrophobicContact CG-CB 4.05Å; K373-C424 WeakPolarHBondContact CE-O 3.47Å
425	N	93.7	Very high	91	Very high	25 Å²	25	47.1 Å²	47.1	13%	0.134	25%	0.249	C	C	.	.			trans	-70.5	131.3	160.7	-73.3	-58.5	0	0	0	109.9	G232 M233 G235 G370 S371 K373	G232-N425 WeakPolarHBondContact O-CB 3.27Å; M233-N425 PolarHBondContact O-OD1 2.8Å; G235-N425 VanDerWaalsContact CA-C 3.45Å; G235-N425 WeakPolarHBondContact CA-O 3.34Å; G370-N425 PolarHBondContact N-O 2.82Å; G370-N425 VanDerWaalsContact N-O 3.08Å; S371-N425 WeakPolarHBondContact O-CB 3.32Å; S371-N425 PolarHBondContact O-N 3.24Å; S371-N425 PolarHBondContact O-ND2 3.2Å; S371-N425 VanDerWaalsContact O-ND2 3.15Å; S371-N425 PolarHBondContact OG-ND2 2.85Å; S371-N425 VanDerWaalsContact OG-ND2 3.14Å; K373-N425 WeakPolarHBondContact CE-OD1 3.37Å; K373-N425 WeakPolarHBondContact CG-OD1 3.4Å
426	T	92.3	Very high	91.1	Very high	51 Å²	51	48.2 Å²	48.2	31%	0.313	25%	0.248	S	C	.	.			trans	-124.3	146.1	176.3	53.2	0	0	0	0	110.2	F307 I334 F369	F307-T426 HydrophobicContact CZ-CG2 4.02Å; I334-T426 VanDerWaalsContact O-CG2 3.31Å; I334-T426 WeakPolarHBondContact O-CG2 3.48Å; F369-T426 HydrophobicContact CD1-CG2 3.87Å; F369-T426 HydrophobicContact CE1-CG2 4.33Å
427	P	91.7	Very high	91.1	Very high	6 Å²	6	48.5 Å²	48.5	4%	0.039	25%	0.251	C	S	.	.			trans	-64.4	140.6	-178.7	-21.8	34.4	0	0	0	111.9	P200 F234 G235 F236 F307 M429	P200-P427 HydrophobicContact CB-CB 3.59Å; P200-P427 HydrophobicContact CG-CB 3.84Å; F234-P427 WeakPolarHBondContact O-CA 3.3Å; G235-P427 VanDerWaalsContact O-CD 3.28Å; G235-P427 WeakPolarHBondContact O-CD 3.43Å; G235-P427 VanDerWaalsContact O-CG 3.27Å; G235-P427 WeakPolarHBondContact O-CG 3.13Å; F236-P427 HydrophobicContact CD1-CG 3.9Å; F236-P427 HydrophobicContact CE1-CB 3.84Å; F236-P427 HydrophobicContact CE1-CG 3.61Å; F236-P427 HydrophobicContact CZ-CB 3.97Å; F236-P427 HydrophobicContact CZ-CG 4.16Å; F307-P427 HydrophobicContact CB-CG 4.17Å; F307-P427 HydrophobicContact CD1-CG 4.48Å; F307-P427 HydrophobicContact CD2-CG 4.05Å; F307-P427 HydrophobicContact CG-CG 3.97Å; P427-M429 HydrophobicContact CB-SD 4.41Å; P427-M429 WeakPolarHBondContact O-CG 3.32Å; P427-M429 PolarHBondContact O-N 3.17Å
428	A	86.4	Confident	91.2	Very high	88 Å²	88	47.8 Å²	47.8	73%	0.727	25%	0.249	S	C	*	.			trans	-68.6	103.7	176.1	0	0	0	0	0	111.1	T199	T199-A428 WeakPolarHBondContact CG2-O 3.41Å
429	M	84.3	Confident	91	Very high	45 Å²	45	46.6 Å²	46.6	22%	0.222	25%	0.251	C	S	.	.			trans	-87.7	-12.8	-177.6	-61.3	-56.2	-71.1	0	0	114.5	T199 P200 F307 P427 L431	T199-M429 VanDerWaalsContact CG2-C 3.47Å; T199-M429 WeakPolarHBondContact CG2-O 3.47Å; P200-M429 HydrophobicContact CB-SD 3.95Å; P200-M429 HydrophobicContact CG-SD 3.89Å; F307-M429 HydrophobicContact CB-SD 4.24Å; F307-M429 HydrophobicContact CD1-CG 3.88Å; F307-M429 HydrophobicContact CD1-SD 3.87Å; F307-M429 HydrophobicContact CE1-CG 4.33Å; F307-M429 HydrophobicContact CG-SD 4.49Å; P427-M429 HydrophobicContact CB-SD 4.41Å; P427-M429 WeakPolarHBondContact O-CG 3.32Å; P427-M429 PolarHBondContact O-N 3.17Å; M429-L431 HydrophobicContact CB-CD1 3.91Å; M429-L431 HydrophobicContact CB-CG 3.79Å; M429-L431 PolarHBondContact O-N 3.09Å; M429-L431 VanDerWaalsContact O-N 3.12Å
430	G	82.8	Confident	90.5	Very high	47 Å²	47	47.5 Å²	47.5	49%	0.485	26%	0.261	S	S	.	.			trans	62.7	16.8	178.7	0	0	0	0	0	115.3	Q432 K433	G430-Q432 PolarHBondContact O-N 2.88Å; G430-K433 PolarHBondContact O-N 2.85Å
431	L	82.6	Confident	90.1	Very high	38 Å²	38	58.6 Å²	58.6	20%	0.199	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-63.7	-28.1	-177.4	-63	171.3	0	0	0	112.4	M429 K433 K434 Q479 L516	M429-L431 HydrophobicContact CB-CD1 3.91Å; M429-L431 HydrophobicContact CB-CG 3.79Å; M429-L431 PolarHBondContact O-N 3.09Å; M429-L431 VanDerWaalsContact O-N 3.12Å; L431-K433 PolarHBondContact O-N 3.01Å; L431-K433 VanDerWaalsContact O-N 3.09Å; L431-K434 PolarHBondContact O-N 2.85Å; L431-Q479 HydrophobicContact CB-CG 3.98Å; L431-Q479 PolarHBondContact O-NE2 2.71Å; L431-L516 HydrophobicContact CD1-CB 3.94Å; L431-L516 WeakPolarHBondContact CD1-O 3.47Å
432	Q	82.3	Confident	89.7	Confident	76 Å²	76	62.2 Å²	62.2	36%	0.355	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-65.7	-17.9	-177.4	-39.7	-38.5	50.9	0	0	112.1	G430 K434 R478 Q479 L480	G430-Q432 PolarHBondContact O-N 2.88Å; Q432-K434 PolarHBondContact O-N 2.91Å; Q432-R478 PolarHBondContact NE2-O 3.31Å; Q432-Q479 PolarHBondContact NE2-O 2.82Å; Q432-Q479 VanDerWaalsContact NE2-O 3.09Å; Q432-Q479 PolarHBondContact OE1-O 2.92Å; Q432-L480 VanDerWaalsContact NE2-CA 3.29Å
433	K	85.6	Confident	89.4	Confident	174 Å²	174	67.2 Å²	67.2	76%	0.757	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-75.7	-9.6	-178.1	-64.7	-172.8	177.6	-175.2	0	114.1	G430 L431	G430-K433 PolarHBondContact O-N 2.85Å; L431-K433 PolarHBondContact O-N 3.01Å; L431-K433 VanDerWaalsContact O-N 3.09Å
434	K	88.5	Confident	89.3	Confident	140 Å²	140	68 Å²	68	61%	0.609	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-106.6	1.1	-178.4	-62.8	-174.2	179.5	-176.1	0	113.5	L431 Q432 V450 L451	L431-K434 PolarHBondContact O-N 2.85Å; Q432-K434 PolarHBondContact O-N 2.91Å; K434-V450 WeakPolarHBondContact O-CA 3.36Å; K434-L451 PolarHBondContact O-N 3.34Å
435	L	93.6	Very high	89.3	Confident	5 Å²	5	69.3 Å²	69.3	3%	0.026	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	143.8	-177.9	-168.2	149.7	0	0	0	108.7	V448 E449 V450 V476 L480 L518	L435-V448 HydrophobicContact CD1-CG1 4.05Å; L435-V448 HydrophobicContact CD2-CG1 4.25Å; L435-V448 HydrophobicContact CG-CG1 4.19Å; L435-E449 CarbonylContact C-O 3.6Å; L435-E449 WeakPolarHBondContact CA-O 3.49Å; L435-V450 HydrophobicContact CD1-CG1 4.06Å; L435-V450 HydrophobicContact CG-CG1 4.23Å; L435-V476 HydrophobicContact CD1-CG1 4.42Å; L435-V476 HydrophobicContact CD1-CG2 4.27Å; L435-V476 HydrophobicContact CD2-CG1 3.76Å; L435-L480 HydrophobicContact CD2-CD1 3.57Å; L435-L480 HydrophobicContact CD2-CD2 3.71Å; L435-L480 HydrophobicContact CD2-CG 3.64Å; L435-L518 HydrophobicContact CD1-CB 3.93Å; L435-L518 HydrophobicContact CD1-CD2 3.94Å
436	R	93.5	Very high	89.3	Confident	84 Å²	84	68.1 Å²	68.1	32%	0.317	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	159.6	171.4	71.3	-176.4	-177.5	-178.7	-0.1	111.4	E449 W460	R436-E449 HydrophobicContact CG-CB 3.97Å; R436-E449 IonicContact CZ-OE2 2.86Å; R436-E449 PolarHBondContact N-O 2.79Å; R436-E449 IonicContact NE-OE2 3.67Å; R436-E449 PolarHBondContact NE-OE2 2.83Å; R436-E449 IonicContact NH2-OE2 2.89Å; R436-E449 PolarHBondContact NH2-OE2 3.14Å; R436-E449 PolarHBondContact O-N 3.34Å; R436-W460 HydrophobicContact CB-CH2 3.99Å; R436-W460 HydrophobicContact CB-CZ3 4.06Å; R436-W460 HydrophobicContact CG-CD2 4.38Å; R436-W460 HydrophobicContact CG-CE3 3.86Å; R436-W460 HydrophobicContact CG-CH2 3.85Å; R436-W460 HydrophobicContact CG-CZ2 4.36Å; R436-W460 HydrophobicContact CG-CZ3 3.58Å
437	L	93.6	Very high	89.4	Confident	34 Å²	34	65.8 Å²	65.8	18%	0.178	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	131.5	162	-53.4	-175.8	0	0	0	108.5	R447 V448 V476 L480 L482 V541	L437-R447 WeakPolarHBondContact CA-O 3.29Å; L437-V448 HydrophobicContact CD2-CG2 4.17Å; L437-V476 HydrophobicContact CD2-CG1 4.17Å; L437-L480 HydrophobicContact CD1-CD1 4Å; L437-L480 HydrophobicContact CD2-CD1 3.7Å; L437-L480 HydrophobicContact CG-CD1 3.48Å; L437-L480 VanDerWaalsContact CG-CD1 3.48Å; L437-L482 HydrophobicContact CD1-CD1 3.9Å; L437-V541 HydrophobicContact CD1-CG2 4.01Å; L437-V541 HydrophobicContact CD2-CG2 3.48Å; L437-V541 VanDerWaalsContact CD2-CG2 3.48Å; L437-V541 HydrophobicContact CG-CG2 4.41Å
438	N	91.7	Very high	89.6	Confident	49 Å²	49	65.5 Å²	65.5	26%	0.262	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	141.7	175.6	-170.9	-102.9	0	0	0	111	R447 E449	N438-R447 PolarHBondContact N-O 2.76Å; N438-R447 WeakPolarHBondContact O-CB 3.38Å; N438-R447 PolarHBondContact O-N 3.1Å; N438-R447 PolarHBondContact OD1-NH2 2.77Å; N438-E449 VanDerWaalsContact CB-CD 3.49Å; N438-E449 HydrophobicContact CB-CG 4.14Å
439	G	86.6	Confident	89.9	Confident	29 Å²	29	61.3 Å²	61.3	30%	0.299	31%	0.306	S	S	.	.	S	Bend	trans	76.5	-152.7	-164.5	0	0	0	0	0	110.7	H496	G439-H496 WeakPolarHBondContact CA-O 3.29Å
440	G	86.6	Confident	90.3	Very high	20 Å²	20	59.7 Å²	59.7	21%	0.206	30%	0.298	C	S	.	.			trans	82.8	159.9	-174.3	0	0	0	0	0	113.7
441	R	89.5	Confident	90.6	Very high	234 Å²	234	59.6 Å²	59.6	88%	0.883	29%	0.287	S	S	*	.	S	Bend	trans	-86.9	-18.9	175.8	-56.3	175.8	-179.2	-176.4	2.5	112	E445	R441-E445 WeakPolarHBondContact CB-OE1 3.03Å; R441-E445 WeakPolarHBondContact CG-OE1 3.38Å; R441-E445 PolarHBondContact N-OE1 3.11Å
442	N	89.4	Confident	90.7	Very high	76 Å²	76	59.5 Å²	59.5	41%	0.406	29%	0.287	S	S	.	.	S	Bend	trans	-148	171	-178.1	68.9	55.8	0	0	0	110.7	Y444 E445	N442-Y444 PolarHBondContact O-N 3.16Å; N442-Y444 VanDerWaalsContact O-N 3.16Å; N442-Y444 WeakPolarHBondContact OD1-CA 3.25Å; N442-Y444 WeakPolarHBondContact OD1-CB 3.34Å; N442-Y444 PolarHBondContact OD1-N 2.64Å; N442-E445 PolarHBondContact O-N 3.28Å; N442-E445 PolarHBondContact OD1-N 3.27Å
443	P	91.6	Very high	90.7	Very high	105 Å²	105	62.5 Å²	62.5	68%	0.682	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-10.8	-177.4	-23.5	35.7	0	0	0	116.4
444	Y	93.9	Very high	90.3	Very high	97 Å²	97	57.9 Å²	57.9	38%	0.38	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-3.8	-176.2	-69	-93.2	0	0	0	113.2	N442 L482 A542 C543	N442-Y444 PolarHBondContact O-N 3.16Å; N442-Y444 VanDerWaalsContact O-N 3.16Å; N442-Y444 WeakPolarHBondContact OD1-CA 3.25Å; N442-Y444 WeakPolarHBondContact OD1-CB 3.34Å; N442-Y444 PolarHBondContact OD1-N 2.64Å; Y444-L482 HydrophobicContact CD1-CB 4.16Å; Y444-L482 HydrophobicContact CD1-CD2 4.16Å; Y444-L482 HydrophobicContact CE1-CB 4.39Å; Y444-L482 HydrophobicContact CE1-CD2 4.03Å; Y444-A542 CarbonylContact O-C 3.36Å; Y444-A542 WeakPolarHBondContact O-CA 3.25Å; Y444-C543 HydrophobicContact CD1-CB 4.36Å; Y444-C543 PolarHBondContact O-N 3.16Å
445	E	95.1	Very high	89.9	Confident	33 Å²	33	59.5 Å²	59.5	15%	0.154	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	154	176.9	63	170.2	-172.3	0	0	112	R441 N442 W495 V541 A542	R441-E445 WeakPolarHBondContact CB-OE1 3.03Å; R441-E445 WeakPolarHBondContact CG-OE1 3.38Å; R441-E445 PolarHBondContact N-OE1 3.11Å; N442-E445 PolarHBondContact O-N 3.28Å; N442-E445 PolarHBondContact OD1-N 3.27Å; E445-W495 HydrophobicContact CB-CZ2 4.47Å; E445-V541 VanDerWaalsContact CA-O 3.23Å; E445-V541 WeakPolarHBondContact CA-O 3.49Å; E445-A542 HydrophobicContact CB-CB 3.89Å
446	G	94.3	Very high	89.4	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.2	178.3	172.9	0	0	0	0	0	113.4	W495 G540 V541	G446-W495 VanDerWaalsContact C-CE3 3.44Å; G446-W495 WeakPolarHBondContact O-CH2 3.28Å; G446-W495 WeakPolarHBondContact O-CZ3 3.48Å; G446-G540 WeakPolarHBondContact O-CA 3.46Å; G446-V541 PolarHBondContact N-O 3.13Å; G446-V541 PolarHBondContact O-N 3.22Å; G446-V541 VanDerWaalsContact O-N 3.11Å
447	R	94.1	Very high	89.1	Confident	2 Å²	2	61.8 Å²	61.8	1%	0.008	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	133.8	178	-172.1	172.1	59.4	-100.2	-10.2	109.2	L437 N438 E449 M462 T492 W495 Y537	L437-R447 WeakPolarHBondContact CA-O 3.29Å; N438-R447 PolarHBondContact N-O 2.76Å; N438-R447 WeakPolarHBondContact O-CB 3.38Å; N438-R447 PolarHBondContact O-N 3.1Å; N438-R447 PolarHBondContact OD1-NH2 2.77Å; R447-E449 IonicContact CZ-OE1 3.62Å; R447-E449 IonicContact NE-OE1 3.58Å; R447-E449 PolarHBondContact NE-OE1 3.44Å; R447-E449 IonicContact NH2-OE1 2.88Å; R447-E449 PolarHBondContact NH2-OE1 3.44Å; R447-E449 PolarHBondContact O-N 2.76Å; R447-M462 WeakPolarHBondContact CD-SD 3.42Å; R447-M462 PolarHBondContact NE-SD 3.08Å; R447-T492 WeakPolarHBondContact CD-OG1 3.36Å; R447-W495 HydrophobicContact CB-CE3 3.91Å; R447-W495 HydrophobicContact CB-CZ3 4.24Å; R447-Y537 VanDerWaalsContact CD-O 3.25Å; R447-Y537 WeakPolarHBondContact CD-O 3.29Å
448	V	95.4	Very high	88.7	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	115	179.7	-175.7	0	0	0	0	109.1	L435 L437 V463 W468 V476 L518 A539 V541	L435-V448 HydrophobicContact CD1-CG1 4.05Å; L435-V448 HydrophobicContact CD2-CG1 4.25Å; L435-V448 HydrophobicContact CG-CG1 4.19Å; L437-V448 HydrophobicContact CD2-CG2 4.17Å; V448-V463 HydrophobicContact CB-CG2 4.38Å; V448-V463 HydrophobicContact CG1-CG2 3.92Å; V448-W468 HydrophobicContact CG2-CZ2 4.1Å; V448-V476 HydrophobicContact CG1-CG1 4.33Å; V448-V476 HydrophobicContact CG1-CG2 4.19Å; V448-V476 HydrophobicContact CG2-CG1 4.07Å; V448-V476 HydrophobicContact CG2-CG2 4.4Å; V448-L518 HydrophobicContact CG1-CD2 4.15Å; V448-A539 PolarHBondContact N-O 2.73Å; V448-V541 HydrophobicContact CG2-CG1 3.81Å; V448-V541 HydrophobicContact CG2-CG2 4.13Å
449	E	93.1	Very high	88.5	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	135.1	174.3	-63.6	-175	170.1	0	0	110.2	L435 R436 N438 R447 W460 G461 N502	L435-E449 CarbonylContact C-O 3.6Å; L435-E449 WeakPolarHBondContact CA-O 3.49Å; R436-E449 HydrophobicContact CG-CB 3.97Å; R436-E449 IonicContact CZ-OE2 2.86Å; R436-E449 PolarHBondContact N-O 2.79Å; R436-E449 IonicContact NE-OE2 3.67Å; R436-E449 PolarHBondContact NE-OE2 2.83Å; R436-E449 IonicContact NH2-OE2 2.89Å; R436-E449 PolarHBondContact NH2-OE2 3.14Å; R436-E449 PolarHBondContact O-N 3.34Å; N438-E449 VanDerWaalsContact CB-CD 3.49Å; N438-E449 HydrophobicContact CB-CG 4.14Å; R447-E449 IonicContact CZ-OE1 3.62Å; R447-E449 IonicContact NE-OE1 3.58Å; R447-E449 PolarHBondContact NE-OE1 3.44Å; R447-E449 IonicContact NH2-OE1 2.88Å; R447-E449 PolarHBondContact NH2-OE1 3.44Å; R447-E449 PolarHBondContact O-N 2.76Å; E449-W460 HydrophobicContact CB-CE3 3.9Å; E449-W460 VanDerWaalsContact O-CZ3 3.32Å; E449-W460 WeakPolarHBondContact O-CZ3 3.25Å; E449-G461 CarbonylContact C-O 3.59Å; E449-G461 VanDerWaalsContact CA-O 3.24Å; E449-G461 WeakPolarHBondContact CA-O 3.17Å; E449-N502 PolarHBondContact OE1-ND2 3.29Å
450	V	92.8	Very high	88.7	Confident	10 Å²	10	68.3 Å²	68.3	6%	0.061	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	142.9	178	-63.3	0	0	0	0	110.5	K434 L435 V452 G461 V463 V505 M506 L518	K434-V450 WeakPolarHBondContact O-CA 3.36Å; L435-V450 HydrophobicContact CD1-CG1 4.06Å; L435-V450 HydrophobicContact CG-CG1 4.23Å; V450-V452 HydrophobicContact CG2-CG1 4.17Å; V450-G461 PolarHBondContact N-O 2.61Å; V450-G461 PolarHBondContact O-N 3.45Å; V450-V463 HydrophobicContact CG1-CG2 3.96Å; V450-V463 HydrophobicContact CG2-CG2 4.35Å; V450-V505 HydrophobicContact CG2-CG2 3.38Å; V450-M506 HydrophobicContact CG2-CB 4.41Å; V450-L518 HydrophobicContact CG1-CD2 4.22Å
451	L	89.6	Confident	88.9	Confident	45 Å²	45	67.3 Å²	67.3	24%	0.236	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	114.2	179.7	-171.9	65.7	0	0	0	109.6	K434 L458 W460	K434-L451 PolarHBondContact O-N 3.34Å; L451-L458 HydrophobicContact CD1-CB 4Å; L451-L458 HydrophobicContact CD2-CD1 4.42Å; L451-L458 HydrophobicContact CG-CB 4.39Å; L451-L458 HydrophobicContact CG-CD2 4.48Å; L451-W460 HydrophobicContact CB-CD2 4.29Å; L451-W460 HydrophobicContact CB-CE3 4.05Å; L451-W460 HydrophobicContact CB-CH2 3.94Å; L451-W460 HydrophobicContact CB-CZ2 4.17Å; L451-W460 HydrophobicContact CB-CZ3 3.87Å; L451-W460 HydrophobicContact CD1-CD2 3.96Å; L451-W460 HydrophobicContact CD1-CG 4.15Å; L451-W460 HydrophobicContact CD1-CZ2 4.22Å; L451-W460 HydrophobicContact CD2-CZ2 4.44Å
452	V	84.4	Confident	89	Confident	36 Å²	36	56.4 Å²	56.4	22%	0.218	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	156.2	-179.8	-61.7	0	0	0	0	111	V450 R454 L458 V459 V505	V450-V452 HydrophobicContact CG2-CG1 4.17Å; V452-R454 HydrophobicContact CG2-CG 4.43Å; V452-L458 WeakPolarHBondContact O-CA 3.43Å; V452-V459 HydrophobicContact CG2-CG2 3.96Å; V452-V459 PolarHBondContact N-O 1.99Å; V452-V459 PolarHBondContact O-N 3.24Å; V452-V505 HydrophobicContact CG1-CB 4.28Å; V452-V505 HydrophobicContact CG1-CG2 4.05Å; V452-V505 HydrophobicContact CG2-CB 3.84Å; V452-V505 HydrophobicContact CG2-CG1 3.75Å; V452-V505 HydrophobicContact CG2-CG2 4.08Å
453	E	82.4	Confident	89.2	Confident	139 Å²	139	52.8 Å²	52.8	65%	0.65	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	121	173.1	-170.2	175.1	175.1	0	0	109.5	L458	E453-L458 HydrophobicContact CB-CD2 4.16Å
454	R	77.1	Confident	89.3	Confident	78 Å²	78	48 Å²	48	29%	0.294	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	129.3	170.9	-78.2	-165.2	168.4	165.8	2.7	110.1	V452 G456 S457 V459	V452-R454 HydrophobicContact CG2-CG 4.43Å; R454-G456 PolarHBondContact O-N 3.47Å; R454-S457 PolarHBondContact N-O 3.06Å; R454-S457 PolarHBondContact O-N 3Å; R454-S457 VanDerWaalsContact O-O 3.05Å; R454-V459 HydrophobicContact CB-CG2 3.88Å; R454-V459 HydrophobicContact CG-CG2 4.11Å
455	N	80.6	Confident	89.3	Confident	174 Å²	174	43.4 Å²	43.4	93%	0.93	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	37.2	179.8	-60.8	-12.6	0	0	0	113.5	S457	N455-S457 VanDerWaalsContact C-N 3.27Å; N455-S457 PolarHBondContact O-N 3.34Å
456	G	82.9	Confident	89.2	Confident	61 Å²	61	46.1 Å²	46.1	63%	0.629	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	7.7	-180	0	0	0	0	0	115.3	R454	R454-G456 PolarHBondContact O-N 3.47Å
457	S	85.8	Confident	89.1	Confident	76 Å²	76	51.6 Å²	51.6	53%	0.531	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	142.8	172.9	-63.9	0	0	0	0	110.7	R454 N455	R454-S457 PolarHBondContact N-O 3.06Å; R454-S457 PolarHBondContact O-N 3Å; R454-S457 VanDerWaalsContact O-O 3.05Å; N455-S457 VanDerWaalsContact C-N 3.27Å; N455-S457 PolarHBondContact O-N 3.34Å
458	L	86.4	Confident	89.2	Confident	124 Å²	124	51.8 Å²	51.8	65%	0.649	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.4	121.1	173.2	-68	173.5	0	0	0	109.3	L451 V452 E453	L451-L458 HydrophobicContact CD1-CB 4Å; L451-L458 HydrophobicContact CD2-CD1 4.42Å; L451-L458 HydrophobicContact CG-CB 4.39Å; L451-L458 HydrophobicContact CG-CD2 4.48Å; V452-L458 WeakPolarHBondContact O-CA 3.43Å; E453-L458 HydrophobicContact CB-CD2 4.16Å
459	V	87.8	Confident	89.2	Confident	56 Å²	56	52.9 Å²	52.9	34%	0.339	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	142.2	-179	-61.3	0	0	0	0	110.3	V452 R454	V452-V459 HydrophobicContact CG2-CG2 3.96Å; V452-V459 PolarHBondContact N-O 1.99Å; V452-V459 PolarHBondContact O-N 3.24Å; R454-V459 HydrophobicContact CB-CG2 3.88Å; R454-V459 HydrophobicContact CG-CG2 4.11Å
460	W	90.3	Very high	89.3	Confident	68 Å²	68	53.5 Å²	53.5	26%	0.258	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	134.7	169.6	-71	98.2	0	0	0	109.1	R436 E449 L451	R436-W460 HydrophobicContact CB-CH2 3.99Å; R436-W460 HydrophobicContact CB-CZ3 4.06Å; R436-W460 HydrophobicContact CG-CD2 4.38Å; R436-W460 HydrophobicContact CG-CE3 3.86Å; R436-W460 HydrophobicContact CG-CH2 3.85Å; R436-W460 HydrophobicContact CG-CZ2 4.36Å; R436-W460 HydrophobicContact CG-CZ3 3.58Å; E449-W460 HydrophobicContact CB-CE3 3.9Å; E449-W460 VanDerWaalsContact O-CZ3 3.32Å; E449-W460 WeakPolarHBondContact O-CZ3 3.25Å; L451-W460 HydrophobicContact CB-CD2 4.29Å; L451-W460 HydrophobicContact CB-CE3 4.05Å; L451-W460 HydrophobicContact CB-CH2 3.94Å; L451-W460 HydrophobicContact CB-CZ2 4.17Å; L451-W460 HydrophobicContact CB-CZ3 3.87Å; L451-W460 HydrophobicContact CD1-CD2 3.96Å; L451-W460 HydrophobicContact CD1-CG 4.15Å; L451-W460 HydrophobicContact CD1-CZ2 4.22Å; L451-W460 HydrophobicContact CD2-CZ2 4.44Å
461	G	90	Very high	89.4	Confident	0 Å²	0	54 Å²	54	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	167.3	174.4	0	0	0	0	0	111.8	E449 V450 K503 V505	E449-G461 CarbonylContact C-O 3.59Å; E449-G461 VanDerWaalsContact CA-O 3.24Å; E449-G461 WeakPolarHBondContact CA-O 3.17Å; V450-G461 PolarHBondContact N-O 2.61Å; V450-G461 PolarHBondContact O-N 3.45Å; G461-K503 WeakPolarHBondContact CA-O 3.47Å; G461-V505 VanDerWaalsContact C-CG2 3.46Å
462	M	91.3	Very high	89.8	Confident	5 Å²	5	52 Å²	52	3%	0.025	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	156	-174.1	-53.2	-174.2	-58.6	0	0	111.6	R447 N502 K503 V504 V505 Q536	R447-M462 WeakPolarHBondContact CD-SD 3.42Å; R447-M462 PolarHBondContact NE-SD 3.08Å; M462-N502 WeakPolarHBondContact CE-O 3.41Å; M462-N502 HydrophobicContact CG-CB 3.89Å; M462-N502 HydrophobicContact SD-CB 4.24Å; M462-K503 PolarHBondContact N-O 3.27Å; M462-V504 CarbonylContact O-C 3.51Å; M462-V504 WeakPolarHBondContact O-CA 3.42Å; M462-V505 PolarHBondContact O-N 3.3Å; M462-Q536 WeakPolarHBondContact CE-O 3.41Å
463	V	94	Very high	90.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	136.9	171.1	-175.2	0	0	0	0	109	V448 V450 G465 W468 M506 V509 L518 G538 A539	V448-V463 HydrophobicContact CB-CG2 4.38Å; V448-V463 HydrophobicContact CG1-CG2 3.92Å; V450-V463 HydrophobicContact CG1-CG2 3.96Å; V450-V463 HydrophobicContact CG2-CG2 4.35Å; V463-G465 PolarHBondContact O-N 2.96Å; V463-W468 HydrophobicContact CG1-CE3 4.19Å; V463-W468 HydrophobicContact CG1-CZ3 3.75Å; V463-M506 CarbonylContact C-O 3.55Å; V463-M506 WeakPolarHBondContact CA-O 3.27Å; V463-M506 HydrophobicContact CG1-CB 4.4Å; V463-M506 HydrophobicContact CG1-CG 4.4Å; V463-M506 HydrophobicContact CG2-CB 4.33Å; V463-M506 HydrophobicContact CG2-SD 4.4Å; V463-V509 HydrophobicContact CG1-CG2 3.8Å; V463-L518 HydrophobicContact CG2-CD2 3.95Å; V463-G538 CarbonylContact O-C 3.55Å; V463-G538 WeakPolarHBondContact O-CA 3.36Å; V463-A539 HydrophobicContact CB-CB 4.28Å; V463-A539 HydrophobicContact CG1-CB 4.46Å; V463-A539 PolarHBondContact O-N 3.16Å
464	C	93.9	Very high	91.1	Very high	4 Å²	4	44.4 Å²	44.4	3%	0.027	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-61.8	134.7	178.1	-171.2	0	0	0	0	111.2	Q466 V504 M506 C530	C464-Q466 VanDerWaalsContact C-N 3.34Å; C464-Q466 PolarHBondContact O-N 2.79Å; C464-V504 HydrophobicContact CB-CG1 3.98Å; C464-M506 PolarHBondContact N-O 3.01Å; C464-C530 HydrophobicContact CB-CB 3.83Å; C464-C530 WeakPolarHBondContact CB-SG 3.31Å; C464-C530 VanDerWaalsContact SG-CA 3.56Å; C464-C530 WeakPolarHBondContact SG-CB 3.27Å; C464-C530 CovalentContact SG-SG 2.05Å; C464-C530 PolarHBondContact SG-SG 3.21Å
465	G	93.5	Very high	91.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.237	C	C	.	.			trans	-79.2	-9.9	-179.3	0	0	0	0	0	115.6	V463 N467 W468 Q490 V535	V463-G465 PolarHBondContact O-N 2.96Å; G465-N467 PolarHBondContact O-N 2.66Å; G465-W468 VanDerWaalsContact O-CB 3.25Å; G465-W468 WeakPolarHBondContact O-CB 3.33Å; G465-W468 PolarHBondContact O-N 2.78Å; G465-Q490 WeakPolarHBondContact CA-O 3.28Å; G465-Q490 WeakPolarHBondContact O-CB 3.4Å; G465-Q490 VanDerWaalsContact O-CG 3.29Å; G465-Q490 WeakPolarHBondContact O-CG 3.34Å; G465-V535 PolarHBondContact N-O 3.3Å; G465-V535 VanDerWaalsContact N-O 3.14Å
466	Q	93.4	Very high	92.7	Very high	90 Å²	90	32.4 Å²	32.4	42%	0.421	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	127.6	-177.5	-173.9	-178	12.8	0	0	111.2	C464 W468 P531	C464-Q466 VanDerWaalsContact C-N 3.34Å; C464-Q466 PolarHBondContact O-N 2.79Å; Q466-W468 PolarHBondContact O-N 2.8Å; Q466-W468 VanDerWaalsContact O-N 3.17Å; Q466-P531 HydrophobicContact CG-CG 4.45Å
467	N	92.2	Very high	93.3	Very high	115 Å²	115	29.5 Å²	29.5	62%	0.615	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	21.4	-177.5	-59.3	-29.1	0	0	0	114.3	G465 G469	G465-N467 PolarHBondContact O-N 2.66Å; N467-G469 PolarHBondContact O-N 3.37Å
468	W	95.4	Very high	93.7	Very high	6 Å²	6	28.1 Å²	28.1	2%	0.023	15%	0.146	C	C	.	.			trans	-72.6	117.8	173.6	-174.8	-98.3	0	0	0	110.1	V448 V463 G465 Q466 E472 V476 Q490 V509 L518 A539 G540 V541	V448-W468 HydrophobicContact CG2-CZ2 4.1Å; V463-W468 HydrophobicContact CG1-CE3 4.19Å; V463-W468 HydrophobicContact CG1-CZ3 3.75Å; G465-W468 VanDerWaalsContact O-CB 3.25Å; G465-W468 WeakPolarHBondContact O-CB 3.33Å; G465-W468 PolarHBondContact O-N 2.78Å; Q466-W468 PolarHBondContact O-N 2.8Å; Q466-W468 VanDerWaalsContact O-N 3.17Å; W468-E472 HydrophobicContact CD2-CB 4.02Å; W468-E472 HydrophobicContact CE3-CB 3.82Å; W468-E472 HydrophobicContact CE3-CG 4.22Å; W468-E472 HydrophobicContact CH2-CB 3.92Å; W468-E472 HydrophobicContact CZ2-CB 4.11Å; W468-E472 HydrophobicContact CZ3-CB 3.77Å; W468-E472 HydrophobicContact CZ3-CG 4.33Å; W468-V476 HydrophobicContact CH2-CG2 3.68Å; W468-V476 HydrophobicContact CZ2-CG2 3.84Å; W468-Q490 HydrophobicContact CB-CG 4.32Å; W468-Q490 PolarHBondContact O-NE2 3.45Å; W468-V509 HydrophobicContact CZ3-CB 4.21Å; W468-V509 HydrophobicContact CZ3-CG1 4.17Å; W468-V509 HydrophobicContact CZ3-CG2 4.48Å; W468-L518 HydrophobicContact CH2-CD1 3.73Å; W468-L518 HydrophobicContact CH2-CD2 4Å; W468-L518 HydrophobicContact CZ3-CD1 3.99Å; W468-L518 HydrophobicContact CZ3-CD2 4.33Å; W468-A539 HydrophobicContact CB-CB 4.21Å; W468-A539 HydrophobicContact CD2-CB 3.42Å; W468-A539 VanDerWaalsContact CD2-CB 3.42Å; W468-A539 HydrophobicContact CE3-CB 3.79Å; W468-A539 HydrophobicContact CG-CB 3.6Å; W468-A539 HydrophobicContact CZ2-CB 4.23Å; W468-A539 HydrophobicContact CZ3-CB 4.32Å; W468-G540 PolarHBondContact NE1-O 2.04Å; W468-V541 HydrophobicContact CZ2-CG1 3.81Å
469	G	95.6	Very high	94	Very high	24 Å²	24	22.7 Å²	22.7	25%	0.247	12%	0.117	C	C	.	.			trans	-122	-175.9	-177	0	0	0	0	0	113.3	N467 V471 E472 A473 A488	N467-G469 PolarHBondContact O-N 3.37Å; G469-V471 VanDerWaalsContact C-N 3.3Å; G469-V471 PolarHBondContact O-N 3.03Å; G469-E472 WeakPolarHBondContact CA-OE2 3.48Å; G469-E472 PolarHBondContact N-OE2 2.87Å; G469-E472 PolarHBondContact O-N 3.06Å; G469-A473 PolarHBondContact O-N 2.94Å; G469-A488 VanDerWaalsContact O-CB 3.27Å; G469-A488 WeakPolarHBondContact O-CB 2.91Å
470	I	96	Very high	94.2	Very high	12 Å²	12	21.6 Å²	21.6	6%	0.062	11%	0.109	C	C	.	.	H	α-helix	trans	-67.7	-31.3	-176.6	-154.1	60.9	0	0	0	112.3	E472 A473 M474 A485 N487 A488 F718 A721 Y725	I470-E472 PolarHBondContact O-N 3.41Å; I470-A473 HydrophobicContact CD1-CB 4.34Å; I470-A473 CarbonylContact O-C 3.47Å; I470-A473 WeakPolarHBondContact O-CB 3.38Å; I470-A473 PolarHBondContact O-N 3.18Å; I470-M474 HydrophobicContact CG1-CE 4.44Å; I470-M474 VanDerWaalsContact O-CG 3.26Å; I470-M474 WeakPolarHBondContact O-CG 3.46Å; I470-M474 PolarHBondContact O-N 2.6Å; I470-A485 HydrophobicContact CD1-CB 3.71Å; I470-A485 HydrophobicContact CG1-CB 4.22Å; I470-N487 VanDerWaalsContact CD1-C 3.49Å; I470-A488 HydrophobicContact CD1-CB 4.12Å; I470-F718 HydrophobicContact CG2-CB 3.72Å; I470-F718 WeakPolarHBondContact CG2-O 3.21Å; I470-A721 HydrophobicContact CD1-CB 4.31Å; I470-A721 HydrophobicContact CG1-CB 4.03Å; I470-Y725 HydrophobicContact CG2-CE2 4.37Å; I470-Y725 WeakPolarHBondContact CG2-OH 3.49Å
471	V	95.7	Very high	94.3	Very high	22 Å²	22	19.9 Å²	19.9	13%	0.133	11%	0.112	C	C	.	.	H	α-helix	trans	-64.8	-41.8	178.6	-178.1	0	0	0	0	111.3	G469 A473 M474 V475 C511 F718	G469-V471 VanDerWaalsContact C-N 3.3Å; G469-V471 PolarHBondContact O-N 3.03Å; V471-A473 VanDerWaalsContact C-N 3.35Å; V471-M474 WeakPolarHBondContact O-CB 3.31Å; V471-M474 PolarHBondContact O-N 3.09Å; V471-V475 PolarHBondContact O-N 3.31Å; V471-C511 HydrophobicContact CG1-CB 4.2Å; V471-F718 HydrophobicContact CG2-CD1 4.37Å; V471-F718 HydrophobicContact CG2-CG 4.38Å
472	E	96.6	Very high	94.4	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-65.2	-41.5	173.3	-67.5	68.2	-144.4	0	0	111.1	W468 G469 I470 M474 V475 V476 V509 K510 C511	W468-E472 HydrophobicContact CD2-CB 4.02Å; W468-E472 HydrophobicContact CE3-CB 3.82Å; W468-E472 HydrophobicContact CE3-CG 4.22Å; W468-E472 HydrophobicContact CH2-CB 3.92Å; W468-E472 HydrophobicContact CZ2-CB 4.11Å; W468-E472 HydrophobicContact CZ3-CB 3.77Å; W468-E472 HydrophobicContact CZ3-CG 4.33Å; G469-E472 WeakPolarHBondContact CA-OE2 3.48Å; G469-E472 PolarHBondContact N-OE2 2.87Å; G469-E472 PolarHBondContact O-N 3.06Å; I470-E472 PolarHBondContact O-N 3.41Å; E472-M474 VanDerWaalsContact C-N 3.32Å; E472-M474 PolarHBondContact O-N 2.86Å; E472-V475 PolarHBondContact O-N 3.12Å; E472-V476 PolarHBondContact O-N 3.33Å; E472-V476 VanDerWaalsContact O-N 3.17Å; E472-V509 HydrophobicContact CG-CG1 4.01Å; E472-K510 WeakPolarHBondContact OE1-CA 3.46Å; E472-K510 IonicContact OE1-NZ 3.15Å; E472-C511 HydrophobicContact CG-CB 4.19Å; E472-C511 PolarHBondContact OE1-N 3.04Å
473	A	97.3	Very high	94.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-61.8	-38.3	176.3	0	0	0	0	0	112.6	G469 I470 V471 V475 V476 C477 A485 A488 V541	G469-A473 PolarHBondContact O-N 2.94Å; I470-A473 HydrophobicContact CD1-CB 4.34Å; I470-A473 CarbonylContact O-C 3.47Å; I470-A473 WeakPolarHBondContact O-CB 3.38Å; I470-A473 PolarHBondContact O-N 3.18Å; V471-A473 VanDerWaalsContact C-N 3.35Å; A473-V475 VanDerWaalsContact C-N 3.29Å; A473-V475 PolarHBondContact O-N 3.07Å; A473-V476 WeakPolarHBondContact O-CB 3.41Å; A473-V476 PolarHBondContact O-N 3.16Å; A473-V476 VanDerWaalsContact O-N 3.07Å; A473-C477 PolarHBondContact O-N 2.84Å; A473-C477 PolarHBondContact O-SG 3.22Å; A473-A485 HydrophobicContact CB-CB 3.48Å; A473-A485 VanDerWaalsContact CB-CB 3.48Å; A473-A488 HydrophobicContact CB-CB 3.87Å; A473-V541 HydrophobicContact CB-CB 4.18Å; A473-V541 HydrophobicContact CB-CG1 3.48Å; A473-V541 VanDerWaalsContact CB-CG1 3.48Å
474	M	96.4	Very high	94.7	Very high	17 Å²	17	21.5 Å²	21.5	8%	0.084	12%	0.121	C	C	.	.	H	α-helix	trans	-57.7	-43.3	175.6	-73.1	-72.1	-179.3	0	0	111.1	I470 V471 E472 V476 R478 F484 A485 A721 E722	I470-M474 HydrophobicContact CG1-CE 4.44Å; I470-M474 VanDerWaalsContact O-CG 3.26Å; I470-M474 WeakPolarHBondContact O-CG 3.46Å; I470-M474 PolarHBondContact O-N 2.6Å; V471-M474 WeakPolarHBondContact O-CB 3.31Å; V471-M474 PolarHBondContact O-N 3.09Å; E472-M474 VanDerWaalsContact C-N 3.32Å; E472-M474 PolarHBondContact O-N 2.86Å; M474-V476 VanDerWaalsContact C-N 3.33Å; M474-V476 PolarHBondContact O-N 3.31Å; M474-R478 VanDerWaalsContact O-CB 3.23Å; M474-R478 WeakPolarHBondContact O-CB 3.49Å; M474-R478 PolarHBondContact O-N 3.09Å; M474-F484 HydrophobicContact CE-CB 4.11Å; M474-F484 HydrophobicContact CE-CD1 4.43Å; M474-F484 HydrophobicContact SD-CB 3.81Å; M474-F484 HydrophobicContact SD-CD1 4Å; M474-F484 HydrophobicContact SD-CG 4.42Å; M474-A485 HydrophobicContact CE-CB 4.31Å; M474-A485 WeakPolarHBondContact CE-O 3.36Å; M474-A485 HydrophobicContact CG-CB 4.07Å; M474-A485 HydrophobicContact SD-CB 3.96Å; M474-A485 PolarHBondContact SD-N 3.48Å; M474-A721 HydrophobicContact CE-CB 3.97Å; M474-E722 WeakPolarHBondContact CE-O 3.35Å
475	V	95.4	Very high	94.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63	-41	175.9	177.4	0	0	0	0	110.9	V471 E472 A473 Q479 C511 E515 S517	V471-V475 PolarHBondContact O-N 3.31Å; E472-V475 PolarHBondContact O-N 3.12Å; A473-V475 VanDerWaalsContact C-N 3.29Å; A473-V475 PolarHBondContact O-N 3.07Å; V475-Q479 WeakPolarHBondContact O-CB 3.43Å; V475-Q479 PolarHBondContact O-N 2.89Å; V475-C511 HydrophobicContact CG2-CB 3.89Å; V475-E515 HydrophobicContact CG1-CB 4.19Å; V475-E515 HydrophobicContact CG2-CB 4.27Å; V475-S517 VanDerWaalsContact CG1-C 3.46Å
476	V	96.8	Very high	94.9	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65	-51.6	177.7	173.9	0	0	0	0	112.1	L435 L437 V448 W468 E472 A473 M474 R478 Q479 L480 L518 V541	L435-V476 HydrophobicContact CD1-CG1 4.42Å; L435-V476 HydrophobicContact CD1-CG2 4.27Å; L435-V476 HydrophobicContact CD2-CG1 3.76Å; L437-V476 HydrophobicContact CD2-CG1 4.17Å; V448-V476 HydrophobicContact CG1-CG1 4.33Å; V448-V476 HydrophobicContact CG1-CG2 4.19Å; V448-V476 HydrophobicContact CG2-CG1 4.07Å; V448-V476 HydrophobicContact CG2-CG2 4.4Å; W468-V476 HydrophobicContact CH2-CG2 3.68Å; W468-V476 HydrophobicContact CZ2-CG2 3.84Å; E472-V476 PolarHBondContact O-N 3.33Å; E472-V476 VanDerWaalsContact O-N 3.17Å; A473-V476 WeakPolarHBondContact O-CB 3.41Å; A473-V476 PolarHBondContact O-N 3.16Å; A473-V476 VanDerWaalsContact O-N 3.07Å; M474-V476 VanDerWaalsContact C-N 3.33Å; M474-V476 PolarHBondContact O-N 3.31Å; V476-R478 VanDerWaalsContact C-N 3.32Å; V476-R478 PolarHBondContact O-N 3.32Å; V476-Q479 CarbonylContact O-C 3.44Å; V476-Q479 VanDerWaalsContact O-C 3.27Å; V476-Q479 PolarHBondContact O-N 2.91Å; V476-L480 HydrophobicContact CG1-CD1 4.11Å; V476-L480 PolarHBondContact O-N 3.03Å; V476-L518 HydrophobicContact CG2-CD1 3.85Å; V476-L518 HydrophobicContact CG2-CD2 4.05Å; V476-L518 HydrophobicContact CG2-CG 4.4Å; V476-V541 HydrophobicContact CB-CG1 4.18Å; V476-V541 HydrophobicContact CG1-CG1 4.21Å; V476-V541 HydrophobicContact CG1-CG2 3.87Å
477	C	96.4	Very high	95	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60.2	-43.8	-178.8	-67.3	0	0	0	0	111.1	A473 L480 G481 L482 G483 A485 C543	A473-C477 PolarHBondContact O-N 2.84Å; A473-C477 PolarHBondContact O-SG 3.22Å; C477-L480 PolarHBondContact O-N 3.23Å; C477-G481 PolarHBondContact O-N 3.22Å; C477-L482 PolarHBondContact O-N 3.21Å; C477-G483 CarbonylContact C-O 3.52Å; C477-G483 WeakPolarHBondContact CB-O 3.4Å; C477-A485 VanDerWaalsContact SG-CA 3.6Å; C477-C543 VanDerWaalsContact CA-SG 3.52Å; C477-C543 HydrophobicContact CB-CB 3.69Å; C477-C543 WeakPolarHBondContact CB-SG 3.45Å; C477-C543 VanDerWaalsContact SG-CA 3.55Å; C477-C543 WeakPolarHBondContact SG-CB 3.5Å; C477-C543 CovalentContact SG-SG 2.04Å; C477-C543 PolarHBondContact SG-SG 3.01Å
478	R	93.6	Very high	95.2	Very high	46 Å²	46	18.3 Å²	18.3	17%	0.174	11%	0.114	C	C	.	.	H	α-helix	trans	-64.3	-43.4	174.1	-173.5	171.2	61.5	-129.6	0	112.6	A332 Y333 Q432 M474 V476 L480 G481 G483 G513 E515	A332-R478 VanDerWaalsContact O-CD 3.28Å; A332-R478 WeakPolarHBondContact O-CD 3.42Å; A332-R478 WeakPolarHBondContact O-CG 3.15Å; Y333-R478 HydrophobicContact CD1-CG 4.3Å; Q432-R478 PolarHBondContact NE2-O 3.31Å; M474-R478 VanDerWaalsContact O-CB 3.23Å; M474-R478 WeakPolarHBondContact O-CB 3.49Å; M474-R478 PolarHBondContact O-N 3.09Å; V476-R478 VanDerWaalsContact C-N 3.32Å; V476-R478 PolarHBondContact O-N 3.32Å; R478-L480 PolarHBondContact O-N 2.85Å; R478-L480 VanDerWaalsContact O-N 3.16Å; R478-G481 PolarHBondContact O-N 3.25Å; R478-G483 PolarHBondContact N-O 3.01Å; R478-G513 PolarHBondContact NH1-O 3.02Å; R478-G513 VanDerWaalsContact NH1-O 3.13Å; R478-G513 PolarHBondContact NH2-O 3.11Å; R478-E515 PolarHBondContact NH2-O 2.95Å
479	Q	92.9	Very high	95.2	Very high	10 Å²	10	20.5 Å²	20.5	5%	0.047	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	9	172.4	-162.6	-145.4	-40	0	0	113.2	L431 Q432 V475 V476 S517	L431-Q479 HydrophobicContact CB-CG 3.98Å; L431-Q479 PolarHBondContact O-NE2 2.71Å; Q432-Q479 PolarHBondContact NE2-O 2.82Å; Q432-Q479 VanDerWaalsContact NE2-O 3.09Å; Q432-Q479 PolarHBondContact OE1-O 2.92Å; V475-Q479 WeakPolarHBondContact O-CB 3.43Å; V475-Q479 PolarHBondContact O-N 2.89Å; V476-Q479 CarbonylContact O-C 3.44Å; V476-Q479 VanDerWaalsContact O-C 3.27Å; V476-Q479 PolarHBondContact O-N 2.91Å; Q479-S517 VanDerWaalsContact OE1-CA 3.24Å; Q479-S517 VanDerWaalsContact OE1-CB 3.25Å
480	L	92.3	Very high	95.1	Very high	34 Å²	34	23.8 Å²	23.8	18%	0.178	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	-8.4	163.5	-72	174.4	0	0	0	112.2	Q432 L435 L437 V476 C477 R478 L482	Q432-L480 VanDerWaalsContact NE2-CA 3.29Å; L435-L480 HydrophobicContact CD2-CD1 3.57Å; L435-L480 HydrophobicContact CD2-CD2 3.71Å; L435-L480 HydrophobicContact CD2-CG 3.64Å; L437-L480 HydrophobicContact CD1-CD1 4Å; L437-L480 HydrophobicContact CD2-CD1 3.7Å; L437-L480 HydrophobicContact CG-CD1 3.48Å; L437-L480 VanDerWaalsContact CG-CD1 3.48Å; V476-L480 HydrophobicContact CG1-CD1 4.11Å; V476-L480 PolarHBondContact O-N 3.03Å; C477-L480 PolarHBondContact O-N 3.23Å; R478-L480 PolarHBondContact O-N 2.85Å; R478-L480 VanDerWaalsContact O-N 3.16Å; L480-L482 HydrophobicContact CB-CD1 3.69Å; L480-L482 HydrophobicContact CB-CG 3.73Å; L480-L482 HydrophobicContact CD1-CD1 3.98Å
481	G	91.3	Very high	94.8	Very high	31 Å²	31	27.4 Å²	27.4	32%	0.32	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	24.6	-175.4	0	0	0	0	0	111.8	Y333 C477 R478	Y333-G481 VanDerWaalsContact OH-C 3.31Å; Y333-G481 PolarHBondContact OH-O 3.36Å; C477-G481 PolarHBondContact O-N 3.22Å; R478-G481 PolarHBondContact O-N 3.25Å
482	L	93.3	Very high	94.3	Very high	31 Å²	31	26.4 Å²	26.4	16%	0.162	14%	0.143	C	C	.	.			trans	-107.5	18.6	-172.3	-58.7	176.5	0	0	0	113.4	L437 Y444 C477 L480 C543	L437-L482 HydrophobicContact CD1-CD1 3.9Å; Y444-L482 HydrophobicContact CD1-CB 4.16Å; Y444-L482 HydrophobicContact CD1-CD2 4.16Å; Y444-L482 HydrophobicContact CE1-CB 4.39Å; Y444-L482 HydrophobicContact CE1-CD2 4.03Å; C477-L482 PolarHBondContact O-N 3.21Å; L480-L482 HydrophobicContact CB-CD1 3.69Å; L480-L482 HydrophobicContact CB-CG 3.73Å; L480-L482 HydrophobicContact CD1-CD1 3.98Å; L482-C543 HydrophobicContact CB-CB 3.72Å; L482-C543 WeakPolarHBondContact O-CB 3.31Å
483	G	93.6	Very high	93.5	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.173	C	C	.	.			trans	82.8	-143.6	179.7	0	0	0	0	0	114.2	Y333 C477 R478 S544	Y333-G483 PolarHBondContact OH-N 2.92Å; C477-G483 CarbonylContact C-O 3.52Å; C477-G483 WeakPolarHBondContact CB-O 3.4Å; R478-G483 PolarHBondContact N-O 3.01Å; G483-S544 CarbonylContact C-O 3.58Å; G483-S544 WeakPolarHBondContact CA-O 3.46Å
484	F	96.4	Very high	92.6	Very high	8 Å²	8	38.6 Å²	38.6	4%	0.035	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	162.6	174.5	-57.1	-80.5	0	0	0	111.5	G330 A332 M474 C543 S544 A547	G330-F484 WeakPolarHBondContact O-CZ 3.44Å; A332-F484 VanDerWaalsContact CA-CE1 3.45Å; A332-F484 HydrophobicContact CB-CD1 4.28Å; A332-F484 HydrophobicContact CB-CD2 3.78Å; A332-F484 HydrophobicContact CB-CE1 4Å; A332-F484 HydrophobicContact CB-CE2 3.48Å; A332-F484 VanDerWaalsContact CB-CE2 3.48Å; A332-F484 HydrophobicContact CB-CG 4.18Å; A332-F484 HydrophobicContact CB-CZ 3.6Å; M474-F484 HydrophobicContact CE-CB 4.11Å; M474-F484 HydrophobicContact CE-CD1 4.43Å; M474-F484 HydrophobicContact SD-CB 3.81Å; M474-F484 HydrophobicContact SD-CD1 4Å; M474-F484 HydrophobicContact SD-CG 4.42Å; F484-C543 CarbonylContact O-C 3.45Å; F484-C543 WeakPolarHBondContact O-CA 3.29Å; F484-C543 WeakPolarHBondContact O-CB 3.19Å; F484-S544 PolarHBondContact N-O 2.85Å; F484-S544 PolarHBondContact O-N 3.26Å; F484-A547 HydrophobicContact CB-CB 3.97Å; F484-A547 HydrophobicContact CD1-CB 4.19Å; F484-A547 HydrophobicContact CD2-CB 3.84Å; F484-A547 HydrophobicContact CE2-CB 4.34Å; F484-A547 HydrophobicContact CG-CB 3.74Å
485	A	97.1	Very high	91.8	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.008	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	132.2	162.7	0	0	0	0	0	109.4	I470 A473 M474 C477 A542 A721	I470-A485 HydrophobicContact CD1-CB 3.71Å; I470-A485 HydrophobicContact CG1-CB 4.22Å; A473-A485 HydrophobicContact CB-CB 3.48Å; A473-A485 VanDerWaalsContact CB-CB 3.48Å; M474-A485 HydrophobicContact CE-CB 4.31Å; M474-A485 WeakPolarHBondContact CE-O 3.36Å; M474-A485 HydrophobicContact CG-CB 4.07Å; M474-A485 HydrophobicContact SD-CB 3.96Å; M474-A485 PolarHBondContact SD-N 3.48Å; C477-A485 VanDerWaalsContact SG-CA 3.6Å; A485-A542 CarbonylContact C-O 3.54Å; A485-A542 WeakPolarHBondContact CA-O 3.34Å; A485-A721 WeakPolarHBondContact O-CB 3.29Å
486	S	95.8	Very high	90.7	Very high	45 Å²	45	46.2 Å²	46.2	32%	0.315	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-33.8	166.4	66.7	0	0	0	0	111.1	A542	S486-A542 PolarHBondContact N-O 2.96Å; S486-A542 WeakPolarHBondContact OG-CB 3.35Å; S486-A542 PolarHBondContact OG-O 3.08Å
487	N	95.9	Very high	89.2	Confident	66 Å²	66	48.2 Å²	48.2	35%	0.353	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	151.9	-178.6	-55.3	89.5	0	0	0	112	I470 F489 V541 A542	I470-N487 VanDerWaalsContact CD1-C 3.49Å; N487-F489 HydrophobicContact CB-CE1 4.16Å; N487-F489 HydrophobicContact CB-CE2 3.85Å; N487-F489 HydrophobicContact CB-CZ 3.58Å; N487-V541 WeakPolarHBondContact O-CA 3Å; N487-A542 HydrophobicContact CB-CB 4.09Å; N487-A542 PolarHBondContact N-O 3.04Å; N487-A542 PolarHBondContact O-N 3.46Å
488	A	95.8	Very high	87.6	Confident	31 Å²	31	53.2 Å²	53.2	26%	0.256	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	134	169.3	0	0	0	0	0	109.6	G469 I470 A473	G469-A488 VanDerWaalsContact O-CB 3.27Å; G469-A488 WeakPolarHBondContact O-CB 2.91Å; I470-A488 HydrophobicContact CD1-CB 4.12Å; A473-A488 HydrophobicContact CB-CB 3.87Å
489	F	94.5	Very high	86	Confident	52 Å²	52	52.6 Å²	52.6	23%	0.228	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	127.8	-177.5	-52	-81.3	0	0	0	110.1	N487 T492 Y494 W495 A539 G540 A542	N487-F489 HydrophobicContact CB-CE1 4.16Å; N487-F489 HydrophobicContact CB-CE2 3.85Å; N487-F489 HydrophobicContact CB-CZ 3.58Å; F489-T492 HydrophobicContact CB-CG2 4.23Å; F489-Y494 VanDerWaalsContact CD1-OH 3.3Å; F489-Y494 WeakPolarHBondContact CD1-OH 3.38Å; F489-W495 HydrophobicContact CB-CH2 4.48Å; F489-W495 AromaticContact CD2-CH2 3.46Å; F489-W495 HydrophobicContact CD2-CH2 3.46Å; F489-W495 VanDerWaalsContact CD2-CH2 3.46Å; F489-W495 AromaticContact CD2-CZ2 3.93Å; F489-W495 HydrophobicContact CD2-CZ2 3.93Å; F489-W495 AromaticContact CE2-CH2 3.88Å; F489-W495 HydrophobicContact CE2-CH2 3.88Å; F489-W495 AromaticContact CE2-CZ2 3.91Å; F489-W495 HydrophobicContact CE2-CZ2 3.91Å; F489-W495 HydrophobicContact CG-CH2 4.16Å; F489-A539 WeakPolarHBondContact O-CA 3.33Å; F489-G540 PolarHBondContact N-O 2.95Å; F489-G540 PolarHBondContact O-N 2.78Å; F489-A542 HydrophobicContact CE2-CB 3.97Å; F489-A542 HydrophobicContact CZ-CB 4.37Å
490	Q	93.2	Very high	84.5	Confident	92 Å²	92	61.6 Å²	61.6	43%	0.43	31%	0.308	S	S	.	.	S	Bend	trans	-83.2	-24	175.1	-61.7	-167.7	8	0	0	112.6	G465 W468	G465-Q490 WeakPolarHBondContact CA-O 3.28Å; G465-Q490 WeakPolarHBondContact O-CB 3.4Å; G465-Q490 VanDerWaalsContact O-CG 3.29Å; G465-Q490 WeakPolarHBondContact O-CG 3.34Å; W468-Q490 HydrophobicContact CB-CG 4.32Å; W468-Q490 PolarHBondContact O-NE2 3.45Å
491	E	89.9	Confident	83	Confident	88 Å²	88	63 Å²	63	41%	0.411	32%	0.324	S	S	.	.			trans	-131.8	134.2	-179.5	-53.9	-170.5	176.7	0	0	110.7	Y494	E491-Y494 VanDerWaalsContact O-CE1 3.3Å; E491-Y494 WeakPolarHBondContact O-CE1 3.16Å; E491-Y494 PolarHBondContact O-OH 3.43Å
492	T	86.6	Confident	81.8	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.006	32%	0.319	C	S	.	.			trans	-132.2	28	-170	63.4	0	0	0	0	113.9	R447 F489 Y494 W495 Y537 G538	R447-T492 WeakPolarHBondContact CD-OG1 3.36Å; F489-T492 HydrophobicContact CB-CG2 4.23Å; T492-Y494 PolarHBondContact O-N 3.16Å; T492-Y494 VanDerWaalsContact O-N 3.12Å; T492-W495 HydrophobicContact CG2-CE3 3.51Å; T492-W495 HydrophobicContact CG2-CH2 4.02Å; T492-W495 HydrophobicContact CG2-CZ3 3.13Å; T492-W495 PolarHBondContact O-N 3.18Å; T492-Y537 PolarHBondContact OG1-O 3.46Å; T492-G538 VanDerWaalsContact CG2-O 3.24Å; T492-G538 WeakPolarHBondContact CG2-O 3.26Å; T492-G538 PolarHBondContact OG1-O 2.91Å; T492-G538 VanDerWaalsContact OG1-O 3.1Å
493	W	78.5	Confident	81.3	Confident	165 Å²	165	68.8 Å²	68.8	63%	0.625	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-22.2	-177.5	62.2	-97.1	0	0	0	114	Y537	W493-Y537 HydrophobicContact CB-CD2 3.86Å; W493-Y537 HydrophobicContact CB-CE2 4.17Å; W493-Y537 HydrophobicContact CB-CG 4.08Å
494	Y	78.1	Confident	81.1	Confident	93 Å²	93	69.2 Å²	69.2	37%	0.365	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-8.1	-176.8	51.6	-93.8	0	0	0	114.3	F489 E491 T492	F489-Y494 VanDerWaalsContact CD1-OH 3.3Å; F489-Y494 WeakPolarHBondContact CD1-OH 3.38Å; E491-Y494 VanDerWaalsContact O-CE1 3.3Å; E491-Y494 WeakPolarHBondContact O-CE1 3.16Å; E491-Y494 PolarHBondContact O-OH 3.43Å; T492-Y494 PolarHBondContact O-N 3.16Å; T492-Y494 VanDerWaalsContact O-N 3.12Å
495	W	80.4	Confident	80.8	Confident	12 Å²	12	69.7 Å²	69.7	5%	0.045	35%	0.347	C	S	.	.	S	Bend	trans	-88.1	133.1	174.5	-72.4	-37.3	0	0	0	111.9	E445 G446 R447 F489 T492 G540	E445-W495 HydrophobicContact CB-CZ2 4.47Å; G446-W495 VanDerWaalsContact C-CE3 3.44Å; G446-W495 WeakPolarHBondContact O-CH2 3.28Å; G446-W495 WeakPolarHBondContact O-CZ3 3.48Å; R447-W495 HydrophobicContact CB-CE3 3.91Å; R447-W495 HydrophobicContact CB-CZ3 4.24Å; F489-W495 HydrophobicContact CB-CH2 4.48Å; F489-W495 AromaticContact CD2-CH2 3.46Å; F489-W495 HydrophobicContact CD2-CH2 3.46Å; F489-W495 VanDerWaalsContact CD2-CH2 3.46Å; F489-W495 AromaticContact CD2-CZ2 3.93Å; F489-W495 HydrophobicContact CD2-CZ2 3.93Å; F489-W495 AromaticContact CE2-CH2 3.88Å; F489-W495 HydrophobicContact CE2-CH2 3.88Å; F489-W495 AromaticContact CE2-CZ2 3.91Å; F489-W495 HydrophobicContact CE2-CZ2 3.91Å; F489-W495 HydrophobicContact CG-CH2 4.16Å; T492-W495 HydrophobicContact CG2-CE3 3.51Å; T492-W495 HydrophobicContact CG2-CH2 4.02Å; T492-W495 HydrophobicContact CG2-CZ3 3.13Å; T492-W495 PolarHBondContact O-N 3.18Å; W495-G540 VanDerWaalsContact CZ3-CA 3.47Å
496	H	72.2	Confident	80.6	Confident	165 Å²	165	70.4 Å²	70.4	76%	0.764	35%	0.351	S	S	*	.			trans	-59.8	143.3	179.6	-57.1	-57.4	0	0	0	112.4	G439	G439-H496 WeakPolarHBondContact CA-O 3.29Å
497	G	65.1	Low	80.4	Confident	42 Å²	42	68.3 Å²	68.3	43%	0.433	34%	0.336	S	S	.	.	S	Bend	trans	144.5	155.9	-177.4	0	0	0	0	0	110.3	V499	G497-V499 VanDerWaalsContact C-N 3.35Å; G497-V499 PolarHBondContact O-N 3.46Å
498	D	62.7	Low	80.3	Confident	104 Å²	104	67 Å²	67	56%	0.556	34%	0.339	S	S	*	.			trans	-73.4	94.6	174.3	-171.9	-11.5	0	0	0	109.4	Y500 A501	D498-Y500 PolarHBondContact O-N 3.44Å; D498-Y500 VanDerWaalsContact O-N 3.16Å; D498-Y500 WeakPolarHBondContact OD1-CA 3.46Å; D498-Y500 WeakPolarHBondContact OD1-CB 3.23Å; D498-Y500 PolarHBondContact OD1-N 2.75Å; D498-A501 HydrophobicContact CB-CB 3.68Å; D498-A501 PolarHBondContact O-N 2.97Å; D498-A501 VanDerWaalsContact O-N 3.13Å; D498-A501 PolarHBondContact OD1-N 2.83Å; D498-A501 VanDerWaalsContact OD1-N 3.17Å
499	V	60.5	Low	80.3	Confident	33 Å²	33	65.9 Å²	65.9	20%	0.2	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-22.1	179.1	-178.7	0	0	0	0	112.2	G497 Y537	G497-V499 VanDerWaalsContact C-N 3.35Å; G497-V499 PolarHBondContact O-N 3.46Å; V499-Y537 HydrophobicContact CG1-CD1 3.17Å; V499-Y537 HydrophobicContact CG1-CE1 3.44Å; V499-Y537 VanDerWaalsContact CG1-CE1 3.44Å; V499-Y537 HydrophobicContact CG1-CG 4.36Å
500	Y	60.7	Low	80.3	Confident	199 Å²	199	69.1 Å²	69.1	78%	0.78	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-16.3	179.9	-60.3	-77.8	0	0	0	113.3	D498	D498-Y500 PolarHBondContact O-N 3.44Å; D498-Y500 VanDerWaalsContact O-N 3.16Å; D498-Y500 WeakPolarHBondContact OD1-CA 3.46Å; D498-Y500 WeakPolarHBondContact OD1-CB 3.23Å; D498-Y500 PolarHBondContact OD1-N 2.75Å
501	A	61.1	Low	80.3	Confident	63 Å²	63	65.1 Å²	65.1	52%	0.521	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-33.8	179.9	0	0	0	0	0	113.2	D498	D498-A501 HydrophobicContact CB-CB 3.68Å; D498-A501 PolarHBondContact O-N 2.97Å; D498-A501 VanDerWaalsContact O-N 3.13Å; D498-A501 PolarHBondContact OD1-N 2.83Å; D498-A501 VanDerWaalsContact OD1-N 3.17Å
502	N	67.1	Low	80.3	Confident	38 Å²	38	64.8 Å²	64.8	20%	0.203	33%	0.332	C	S	.	.	S	Bend	trans	-105.5	116.3	-173	-65	-21.4	0	0	0	110.5	E449 M462	E449-N502 PolarHBondContact OE1-ND2 3.29Å; M462-N502 WeakPolarHBondContact CE-O 3.41Å; M462-N502 HydrophobicContact CG-CB 3.89Å; M462-N502 HydrophobicContact SD-CB 4.24Å
503	K	82.9	Confident	80.3	Confident	147 Å²	147	65.6 Å²	65.6	64%	0.639	34%	0.341	S	S	*	.			trans	-78.3	154.8	174.8	-169.9	171	174.6	-177.7	0	110.3	G461 M462 V505	G461-K503 WeakPolarHBondContact CA-O 3.47Å; M462-K503 PolarHBondContact N-O 3.27Å; K503-V505 PolarHBondContact O-N 3.29Å
504	V	88.8	Confident	80.7	Confident	9 Å²	9	63 Å²	63	6%	0.055	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	130.9	166.8	-178.5	0	0	0	0	109.6	M462 C464 M506 C530 Q536	M462-V504 CarbonylContact O-C 3.51Å; M462-V504 WeakPolarHBondContact O-CA 3.42Å; C464-V504 HydrophobicContact CB-CG1 3.98Å; V504-M506 WeakPolarHBondContact CG1-O 3.16Å; V504-C530 HydrophobicContact CG1-CB 4.16Å; V504-Q536 HydrophobicContact CG2-CG 4.12Å
505	V	90.5	Very high	81.2	Confident	17 Å²	17	60 Å²	60	10%	0.103	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	-3.6	-176.4	-61.9	0	0	0	0	113.6	V450 V452 G461 M462 K503 V528	V450-V505 HydrophobicContact CG2-CG2 3.38Å; V452-V505 HydrophobicContact CG1-CB 4.28Å; V452-V505 HydrophobicContact CG1-CG2 4.05Å; V452-V505 HydrophobicContact CG2-CB 3.84Å; V452-V505 HydrophobicContact CG2-CG1 3.75Å; V452-V505 HydrophobicContact CG2-CG2 4.08Å; G461-V505 VanDerWaalsContact C-CG2 3.46Å; M462-V505 PolarHBondContact O-N 3.3Å; K503-V505 PolarHBondContact O-N 3.29Å; V505-V528 VanDerWaalsContact C-CG1 3.46Å; V505-V528 WeakPolarHBondContact O-CG1 3.47Å
506	M	91.5	Very high	81.4	Confident	17 Å²	17	61.2 Å²	61.2	8%	0.084	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	137.5	174.9	-177	177.6	-80	0	0	108.8	V450 V463 C464 V504 V509 L518 H523	V450-M506 HydrophobicContact CG2-CB 4.41Å; V463-M506 CarbonylContact C-O 3.55Å; V463-M506 WeakPolarHBondContact CA-O 3.27Å; V463-M506 HydrophobicContact CG1-CB 4.4Å; V463-M506 HydrophobicContact CG1-CG 4.4Å; V463-M506 HydrophobicContact CG2-CB 4.33Å; V463-M506 HydrophobicContact CG2-SD 4.4Å; C464-M506 PolarHBondContact N-O 3.01Å; V504-M506 WeakPolarHBondContact CG1-O 3.16Å; M506-V509 HydrophobicContact CG-CG2 3.67Å; M506-V509 HydrophobicContact SD-CG2 3.82Å; M506-L518 HydrophobicContact SD-CD2 4.01Å; M506-L518 HydrophobicContact SD-CG 4.12Å; M506-H523 HydrophobicContact CG-CB 4.41Å
507	S	93.3	Very high	82.3	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	31%	0.305	C	S	.	.			trans	-143.2	169.6	179.8	61.9	0	0	0	0	111.9	V509 D524 V528 A529	S507-V509 PolarHBondContact O-N 3.16Å; S507-V509 VanDerWaalsContact O-N 3.16Å; S507-D524 VanDerWaalsContact C-OD2 3.24Å; S507-D524 WeakPolarHBondContact CB-OD2 3.23Å; S507-D524 PolarHBondContact O-N 2.67Å; S507-D524 WeakPolarHBondContact OG-CB 3.37Å; S507-D524 PolarHBondContact OG-OD2 3.35Å; S507-V528 WeakPolarHBondContact OG-CA 3.08Å; S507-A529 WeakPolarHBondContact CB-O 3.45Å; S507-A529 PolarHBondContact OG-N 3.44Å; S507-A529 PolarHBondContact OG-O 3.43Å
508	G	92.7	Very high	83.7	Confident	40 Å²	40	51.7 Å²	51.7	41%	0.412	29%	0.285	S	S	.	.			trans	62.6	25.1	175.7	0	0	0	0	0	113.9	K510 D524	G508-K510 PolarHBondContact O-N 2.85Å; G508-D524 WeakPolarHBondContact CA-OD2 3.42Å; G508-D524 PolarHBondContact N-OD2 3.37Å
509	V	95.3	Very high	84.9	Confident	7 Å²	7	49.7 Å²	49.7	4%	0.042	28%	0.283	C	S	.	.			trans	-67.4	122.5	-176.8	-174.3	0	0	0	0	109.3	V463 W468 E472 M506 S507 L518 C521 R522 H523	V463-V509 HydrophobicContact CG1-CG2 3.8Å; W468-V509 HydrophobicContact CZ3-CB 4.21Å; W468-V509 HydrophobicContact CZ3-CG1 4.17Å; W468-V509 HydrophobicContact CZ3-CG2 4.48Å; E472-V509 HydrophobicContact CG-CG1 4.01Å; M506-V509 HydrophobicContact CG-CG2 3.67Å; M506-V509 HydrophobicContact SD-CG2 3.82Å; S507-V509 PolarHBondContact O-N 3.16Å; S507-V509 VanDerWaalsContact O-N 3.16Å; V509-L518 HydrophobicContact CG1-CD1 3.75Å; V509-L518 HydrophobicContact CG1-CG 4.32Å; V509-C521 HydrophobicContact CG1-CB 4.06Å; V509-R522 CarbonylContact C-O 3.54Å; V509-R522 WeakPolarHBondContact CA-O 3.03Å; V509-H523 HydrophobicContact CG2-CB 4.02Å
510	K	95.8	Very high	86.3	Confident	119 Å²	119	53.7 Å²	53.7	52%	0.517	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-135.2	116	171.4	-167.3	72.2	-167	156.7	0	109.4	E472 G508 R522	E472-K510 WeakPolarHBondContact OE1-CA 3.46Å; E472-K510 IonicContact OE1-NZ 3.15Å; G508-K510 PolarHBondContact O-N 2.85Å; K510-R522 PolarHBondContact N-O 2.81Å; K510-R522 PolarHBondContact O-N 2.77Å; K510-R522 VanDerWaalsContact O-N 3.08Å
511	C	93.7	Very high	87.8	Confident	9 Å²	9	44.4 Å²	44.4	6%	0.061	26%	0.263	C	S	.	.			trans	-100.2	151.1	179.3	-60.4	0	0	0	0	110.4	V471 E472 V475 C521	V471-C511 HydrophobicContact CG1-CB 4.2Å; E472-C511 HydrophobicContact CG-CB 4.19Å; E472-C511 PolarHBondContact OE1-N 3.04Å; V475-C511 HydrophobicContact CG2-CB 3.89Å; C511-C521 HydrophobicContact CB-CB 3.99Å; C511-C521 WeakPolarHBondContact CB-SG 3.35Å; C511-C521 WeakPolarHBondContact SG-CB 2.93Å; C511-C521 CovalentContact SG-SG 2.04Å; C511-C521 PolarHBondContact SG-SG 3.41Å
512	S	89.9	Confident	89.4	Confident	81 Å²	81	51.5 Å²	51.5	57%	0.566	28%	0.277	S	S	*	.			trans	-81.4	-20.9	164.3	62.9	0	0	0	0	112	T514 E515	S512-T514 PolarHBondContact OG-N 2.74Å; S512-T514 PolarHBondContact OG-OG1 3.2Å; S512-E515 WeakPolarHBondContact CB-OE1 3.45Å; S512-E515 PolarHBondContact N-OE1 2.97Å; S512-E515 PolarHBondContact N-OE2 3.05Å; S512-E515 PolarHBondContact OG-OE1 3.08Å; S512-E515 PolarHBondContact OG-OE2 2.86Å; S512-E515 VanDerWaalsContact OG-OE2 3.13Å
513	G	86.8	Confident	90.6	Very high	18 Å²	18	52.9 Å²	52.9	19%	0.186	28%	0.282	C	S	.	.	S	Bend	trans	100.8	-10.6	-176.7	0	0	0	0	0	113.3	R478 E515	R478-G513 PolarHBondContact NH1-O 3.02Å; R478-G513 VanDerWaalsContact NH1-O 3.13Å; R478-G513 PolarHBondContact NH2-O 3.11Å; G513-E515 PolarHBondContact N-OE2 2.81Å
514	T	85.2	Confident	90.9	Very high	111 Å²	111	48.9 Å²	48.9	68%	0.681	27%	0.268	S	S	*	.			trans	-96.3	-7.4	-178.5	62.7	0	0	0	0	113.8	S512	S512-T514 PolarHBondContact OG-N 2.74Å; S512-T514 PolarHBondContact OG-OG1 3.2Å
515	E	88.8	Confident	90.5	Very high	29 Å²	29	51 Å²	51	14%	0.136	29%	0.291	C	S	.	.			trans	-66.6	144.7	-173.8	-64.1	86	175.1	0	0	112.9	V475 R478 S512 G513 S517 H520 C521	V475-E515 HydrophobicContact CG1-CB 4.19Å; V475-E515 HydrophobicContact CG2-CB 4.27Å; R478-E515 PolarHBondContact NH2-O 2.95Å; S512-E515 WeakPolarHBondContact CB-OE1 3.45Å; S512-E515 PolarHBondContact N-OE1 2.97Å; S512-E515 PolarHBondContact N-OE2 3.05Å; S512-E515 PolarHBondContact OG-OE1 3.08Å; S512-E515 PolarHBondContact OG-OE2 2.86Å; S512-E515 VanDerWaalsContact OG-OE2 3.13Å; G513-E515 PolarHBondContact N-OE2 2.81Å; E515-S517 VanDerWaalsContact C-N 3.35Å; E515-H520 HydrophobicContact CB-CB 4.15Å; E515-H520 HydrophobicContact CG-CB 4.27Å; E515-C521 HydrophobicContact CG-CB 4.4Å
516	L	86	Confident	89.9	Confident	37 Å²	37	58.2 Å²	58.2	19%	0.194	32%	0.324	C	S	.	.	S	Bend	trans	-76.7	-21.9	178.6	-57.5	-174.4	0	0	0	113.6	V306 I334 L431	V306-L516 HydrophobicContact CG1-CD1 3.94Å; V306-L516 HydrophobicContact CG1-CD2 3.82Å; V306-L516 HydrophobicContact CG1-CG 4.3Å; I334-L516 HydrophobicContact CD1-CD2 3.02Å; I334-L516 HydrophobicContact CD1-CG 4.46Å; I334-L516 HydrophobicContact CG1-CD2 4.46Å; L431-L516 HydrophobicContact CD1-CB 3.94Å; L431-L516 WeakPolarHBondContact CD1-O 3.47Å
517	S	90.8	Very high	89.5	Confident	5 Å²	5	64.4 Å²	64.4	4%	0.035	36%	0.357	C	S	.	.	S	Bend	trans	-156.9	158.5	177.4	66.2	0	0	0	0	110.4	V475 Q479 E515 A519 H520	V475-S517 VanDerWaalsContact CG1-C 3.46Å; Q479-S517 VanDerWaalsContact OE1-CA 3.24Å; Q479-S517 VanDerWaalsContact OE1-CB 3.25Å; E515-S517 VanDerWaalsContact C-N 3.35Å; S517-A519 PolarHBondContact O-N 3.41Å; S517-A519 VanDerWaalsContact O-N 3.15Å; S517-H520 WeakPolarHBondContact O-CB 3.04Å; S517-H520 PolarHBondContact O-N 2.83Å; S517-H520 PolarHBondContact OG-CE1 3.21Å; S517-H520 VanDerWaalsContact OG-CE1 3.29Å; S517-H520 PolarHBondContact OG-ND1 3.44Å
518	L	93	Very high	89.1	Confident	2 Å²	2	66.6 Å²	66.6	1%	0.01	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-54.9	-37.5	179.2	-163.1	64.8	0	0	0	112.9	L435 V448 V450 V463 W468 V476 M506 V509 H520 C521	L435-L518 HydrophobicContact CD1-CB 3.93Å; L435-L518 HydrophobicContact CD1-CD2 3.94Å; V448-L518 HydrophobicContact CG1-CD2 4.15Å; V450-L518 HydrophobicContact CG1-CD2 4.22Å; V463-L518 HydrophobicContact CG2-CD2 3.95Å; W468-L518 HydrophobicContact CH2-CD1 3.73Å; W468-L518 HydrophobicContact CH2-CD2 4Å; W468-L518 HydrophobicContact CZ3-CD1 3.99Å; W468-L518 HydrophobicContact CZ3-CD2 4.33Å; V476-L518 HydrophobicContact CG2-CD1 3.85Å; V476-L518 HydrophobicContact CG2-CD2 4.05Å; V476-L518 HydrophobicContact CG2-CG 4.4Å; M506-L518 HydrophobicContact SD-CD2 4.01Å; M506-L518 HydrophobicContact SD-CG 4.12Å; V509-L518 HydrophobicContact CG1-CD1 3.75Å; V509-L518 HydrophobicContact CG1-CG 4.32Å; L518-H520 PolarHBondContact O-N 3.35Å; L518-C521 WeakPolarHBondContact O-CB 3.17Å; L518-C521 PolarHBondContact O-N 3.43Å; L518-C521 VanDerWaalsContact O-N 3.09Å
519	A	89.6	Confident	88.9	Confident	62 Å²	62	67.9 Å²	67.9	51%	0.512	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-68.8	-8.3	177.3	0	0	0	0	0	115.1	S517 H523	S517-A519 PolarHBondContact O-N 3.41Å; S517-A519 VanDerWaalsContact O-N 3.15Å; A519-H523 PolarHBondContact O-NE2 2.78Å
520	H	89.8	Confident	88.5	Confident	117 Å²	117	69.1 Å²	69.1	54%	0.542	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-94.4	-13.9	172.5	-66.9	111.9	0	0	0	112.2	E515 S517 L518	E515-H520 HydrophobicContact CB-CB 4.15Å; E515-H520 HydrophobicContact CG-CB 4.27Å; S517-H520 WeakPolarHBondContact O-CB 3.04Å; S517-H520 PolarHBondContact O-N 2.83Å; S517-H520 PolarHBondContact OG-CE1 3.21Å; S517-H520 VanDerWaalsContact OG-CE1 3.29Å; S517-H520 PolarHBondContact OG-ND1 3.44Å; L518-H520 PolarHBondContact O-N 3.35Å
521	C	91.9	Very high	88.2	Confident	5 Å²	5	65.9 Å²	65.9	3%	0.034	38%	0.377	C	S	.	.	S	Bend	trans	-66.2	159.6	173	-60	0	0	0	0	109.8	V509 C511 E515 L518 H523	V509-C521 HydrophobicContact CG1-CB 4.06Å; C511-C521 HydrophobicContact CB-CB 3.99Å; C511-C521 WeakPolarHBondContact CB-SG 3.35Å; C511-C521 WeakPolarHBondContact SG-CB 2.93Å; C511-C521 CovalentContact SG-SG 2.04Å; C511-C521 PolarHBondContact SG-SG 3.41Å; E515-C521 HydrophobicContact CG-CB 4.4Å; L518-C521 WeakPolarHBondContact O-CB 3.17Å; L518-C521 PolarHBondContact O-N 3.43Å; L518-C521 VanDerWaalsContact O-N 3.09Å; C521-H523 PolarHBondContact O-CD2 2.98Å; C521-H523 PolarHBondContact O-N 3.13Å
522	R	94.1	Very high	87.5	Confident	212 Å²	212	74.4 Å²	74.4	80%	0.8	42%	0.416	S	S	*	.	B	Isolated β-bridge	trans	-64.6	125.2	169.6	178.8	177.9	176.1	163.6	-1.4	107.7	V509 K510	V509-R522 CarbonylContact C-O 3.54Å; V509-R522 WeakPolarHBondContact CA-O 3.03Å; K510-R522 PolarHBondContact N-O 2.81Å; K510-R522 PolarHBondContact O-N 2.77Å; K510-R522 VanDerWaalsContact O-N 3.08Å
523	H	92.9	Very high	87.1	Confident	66 Å²	66	72.6 Å²	72.6	31%	0.306	41%	0.41	S	S	.	.			trans	-149.6	163.7	176.4	63.7	78.3	0	0	0	110	M506 V509 A519 C521	M506-H523 HydrophobicContact CG-CB 4.41Å; V509-H523 HydrophobicContact CG2-CB 4.02Å; A519-H523 PolarHBondContact O-NE2 2.78Å; C521-H523 PolarHBondContact O-CD2 2.98Å; C521-H523 PolarHBondContact O-N 3.13Å
524	D	89.2	Confident	86.5	Confident	64 Å²	64	72.6 Å²	72.6	34%	0.342	41%	0.41	S	S	.	.			trans	-65.9	144	171.9	-55.2	-38	0	0	0	109	S507 G508	S507-D524 VanDerWaalsContact C-OD2 3.24Å; S507-D524 WeakPolarHBondContact CB-OD2 3.23Å; S507-D524 PolarHBondContact O-N 2.67Å; S507-D524 WeakPolarHBondContact OG-CB 3.37Å; S507-D524 PolarHBondContact OG-OD2 3.35Å; G508-D524 WeakPolarHBondContact CA-OD2 3.42Å; G508-D524 PolarHBondContact N-OD2 3.37Å
525	G	80.1	Confident	86.1	Confident	53 Å²	53	68.4 Å²	68.4	55%	0.546	38%	0.384	S	S	.	.			trans	-70.2	-133.2	-179	0	0	0	0	0	113	D527	G525-D527 PolarHBondContact O-N 3.38Å
526	E	77.6	Confident	85.5	Confident	169 Å²	169	71.2 Å²	71.2	79%	0.79	40%	0.397	S	S	*	.	S	Bend	trans	-68.5	-23.9	176.7	-61.9	-63.4	156.1	0	0	112.6	V528	E526-V528 PolarHBondContact O-N 3.14Å; E526-V528 VanDerWaalsContact O-N 3.07Å
527	D	83.1	Confident	85.1	Confident	147 Å²	147	73.4 Å²	73.4	79%	0.786	40%	0.404	S	S	*	.	S	Bend	trans	-81.7	81.8	178.9	-65.6	-41.1	0	0	0	111	G525 A529	G525-D527 PolarHBondContact O-N 3.38Å; D527-A529 PolarHBondContact O-N 3.11Å
528	V	85.6	Confident	84.9	Confident	45 Å²	45	73.2 Å²	73.2	27%	0.273	40%	0.402	S	S	.	.			trans	-78.2	116.2	-179.3	-67	0	0	0	0	112.2	V505 S507 E526	V505-V528 VanDerWaalsContact C-CG1 3.46Å; V505-V528 WeakPolarHBondContact O-CG1 3.47Å; S507-V528 WeakPolarHBondContact OG-CA 3.08Å; E526-V528 PolarHBondContact O-N 3.14Å; E526-V528 VanDerWaalsContact O-N 3.07Å
529	A	87.9	Confident	85	Confident	67 Å²	67	73.1 Å²	73.1	55%	0.554	40%	0.402	S	S	*	.			trans	-109.8	114.1	175	0	0	0	0	0	109.8	S507 D527	S507-A529 WeakPolarHBondContact CB-O 3.45Å; S507-A529 PolarHBondContact OG-N 3.44Å; S507-A529 PolarHBondContact OG-O 3.43Å; D527-A529 PolarHBondContact O-N 3.11Å
530	C	87.7	Confident	85.3	Confident	33 Å²	33	70.1 Å²	70.1	22%	0.223	38%	0.377	C	S	.	.			trans	-133.6	129.2	176.8	-164	0	0	0	0	109.5	C464 V504	C464-C530 HydrophobicContact CB-CB 3.83Å; C464-C530 WeakPolarHBondContact CB-SG 3.31Å; C464-C530 VanDerWaalsContact SG-CA 3.56Å; C464-C530 WeakPolarHBondContact SG-CB 3.27Å; C464-C530 CovalentContact SG-SG 2.05Å; C464-C530 PolarHBondContact SG-SG 3.21Å; V504-C530 HydrophobicContact CG1-CB 4.16Å
531	P	87.8	Confident	85.6	Confident	52 Å²	52	64.6 Å²	64.6	34%	0.338	35%	0.351	S	S	.	.			trans	-58.3	144.4	179.2	-23.3	32.6	0	0	0	112.1	Q466 G533 V535	Q466-P531 HydrophobicContact CG-CG 4.45Å; P531-G533 PolarHBondContact O-N 3.34Å; P531-V535 HydrophobicContact CB-CG2 4.05Å; P531-V535 HydrophobicContact CG-CG2 4.3Å
532	Q	80.3	Confident	85.9	Confident	187 Å²	187	64.8 Å²	64.8	87%	0.874	35%	0.353	S	S	*	.	S	Bend	trans	-72	125	170.7	-67.9	-166.2	-17	0	0	109.4
533	G	80.9	Confident	86	Confident	43 Å²	43	55.1 Å²	55.1	44%	0.443	32%	0.318	S	S	.	.	S	Bend	trans	150	-160.4	-177.3	0	0	0	0	0	112.5	P531 V535 Q536	P531-G533 PolarHBondContact O-N 3.34Å; G533-V535 VanDerWaalsContact C-N 3.26Å; G533-V535 PolarHBondContact O-N 3.28Å; G533-Q536 WeakPolarHBondContact O-CB 3.4Å; G533-Q536 PolarHBondContact O-N 2.87Å; G533-Q536 VanDerWaalsContact O-N 3.12Å
534	G	74.6	Confident	86.1	Confident	19 Å²	19	53.7 Å²	53.7	20%	0.196	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-59.8	-32.8	-178	0	0	0	0	0	114.1	Q536 Y537	G534-Q536 PolarHBondContact O-N 3.01Å; G534-Q536 VanDerWaalsContact O-N 3.15Å; G534-Y537 VanDerWaalsContact O-CB 3.26Å; G534-Y537 WeakPolarHBondContact O-CB 3.45Å; G534-Y537 WeakPolarHBondContact O-CD2 3.2Å; G534-Y537 PolarHBondContact O-N 2.84Å
535	V	77.6	Confident	86.2	Confident	22 Å²	22	54.6 Å²	54.6	13%	0.133	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-65.2	-17.1	177.7	-63.1	0	0	0	0	114.2	G465 P531 G533 Y537 G538	G465-V535 PolarHBondContact N-O 3.3Å; G465-V535 VanDerWaalsContact N-O 3.14Å; P531-V535 HydrophobicContact CB-CG2 4.05Å; P531-V535 HydrophobicContact CG-CG2 4.3Å; G533-V535 VanDerWaalsContact C-N 3.26Å; G533-V535 PolarHBondContact O-N 3.28Å; V535-Y537 PolarHBondContact O-N 2.69Å; V535-G538 PolarHBondContact O-N 2.75Å
536	Q	76.2	Confident	86.8	Confident	88 Å²	88	54.7 Å²	54.7	41%	0.411	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-74.8	-15.5	174.8	-165.3	172	-6.7	0	0	111.9	M462 V504 G533 G534 G538	M462-Q536 WeakPolarHBondContact CE-O 3.41Å; V504-Q536 HydrophobicContact CG2-CG 4.12Å; G533-Q536 WeakPolarHBondContact O-CB 3.4Å; G533-Q536 PolarHBondContact O-N 2.87Å; G533-Q536 VanDerWaalsContact O-N 3.12Å; G534-Q536 PolarHBondContact O-N 3.01Å; G534-Q536 VanDerWaalsContact O-N 3.15Å; Q536-G538 PolarHBondContact O-N 3.01Å
537	Y	75.7	Confident	87.7	Confident	84 Å²	84	46.7 Å²	46.7	33%	0.329	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-69.1	-7.6	173	-65.5	-55	0	0	0	113.8	R447 T492 W493 V499 G534 V535	R447-Y537 VanDerWaalsContact CD-O 3.25Å; R447-Y537 WeakPolarHBondContact CD-O 3.29Å; T492-Y537 PolarHBondContact OG1-O 3.46Å; W493-Y537 HydrophobicContact CB-CD2 3.86Å; W493-Y537 HydrophobicContact CB-CE2 4.17Å; W493-Y537 HydrophobicContact CB-CG 4.08Å; V499-Y537 HydrophobicContact CG1-CD1 3.17Å; V499-Y537 HydrophobicContact CG1-CE1 3.44Å; V499-Y537 VanDerWaalsContact CG1-CE1 3.44Å; V499-Y537 HydrophobicContact CG1-CG 4.36Å; G534-Y537 VanDerWaalsContact O-CB 3.26Å; G534-Y537 WeakPolarHBondContact O-CB 3.45Å; G534-Y537 WeakPolarHBondContact O-CD2 3.2Å; G534-Y537 PolarHBondContact O-N 2.84Å; V535-Y537 PolarHBondContact O-N 2.69Å
538	G	86.7	Confident	88.4	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.236	C	C	.	.			trans	98	155.4	172.6	0	0	0	0	0	112.8	V463 T492 V535 Q536	V463-G538 CarbonylContact O-C 3.55Å; V463-G538 WeakPolarHBondContact O-CA 3.36Å; T492-G538 VanDerWaalsContact CG2-O 3.24Å; T492-G538 WeakPolarHBondContact CG2-O 3.26Å; T492-G538 PolarHBondContact OG1-O 2.91Å; T492-G538 VanDerWaalsContact OG1-O 3.1Å; V535-G538 PolarHBondContact O-N 2.75Å; Q536-G538 PolarHBondContact O-N 3.01Å
539	A	95.3	Very high	89	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.223	C	C	.	.			trans	-73.7	149.8	173.1	0	0	0	0	0	111.8	V448 V463 W468 F489	V448-A539 PolarHBondContact N-O 2.73Å; V463-A539 HydrophobicContact CB-CB 4.28Å; V463-A539 HydrophobicContact CG1-CB 4.46Å; V463-A539 PolarHBondContact O-N 3.16Å; W468-A539 HydrophobicContact CB-CB 4.21Å; W468-A539 HydrophobicContact CD2-CB 3.42Å; W468-A539 VanDerWaalsContact CD2-CB 3.42Å; W468-A539 HydrophobicContact CE3-CB 3.79Å; W468-A539 HydrophobicContact CG-CB 3.6Å; W468-A539 HydrophobicContact CZ2-CB 4.23Å; W468-A539 HydrophobicContact CZ3-CB 4.32Å; F489-A539 WeakPolarHBondContact O-CA 3.33Å
540	G	95.8	Very high	89.5	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	159	178.8	0	0	0	0	0	113	G446 W468 F489 W495	G446-G540 WeakPolarHBondContact O-CA 3.46Å; W468-G540 PolarHBondContact NE1-O 2.04Å; F489-G540 PolarHBondContact N-O 2.95Å; F489-G540 PolarHBondContact O-N 2.78Å; W495-G540 VanDerWaalsContact CZ3-CA 3.47Å
541	V	97.4	Very high	90	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	155.2	172.3	-56.9	0	0	0	0	110.9	L437 E445 G446 V448 W468 A473 V476 N487	L437-V541 HydrophobicContact CD1-CG2 4.01Å; L437-V541 HydrophobicContact CD2-CG2 3.48Å; L437-V541 VanDerWaalsContact CD2-CG2 3.48Å; L437-V541 HydrophobicContact CG-CG2 4.41Å; E445-V541 VanDerWaalsContact CA-O 3.23Å; E445-V541 WeakPolarHBondContact CA-O 3.49Å; G446-V541 PolarHBondContact N-O 3.13Å; G446-V541 PolarHBondContact O-N 3.22Å; G446-V541 VanDerWaalsContact O-N 3.11Å; V448-V541 HydrophobicContact CG2-CG1 3.81Å; V448-V541 HydrophobicContact CG2-CG2 4.13Å; W468-V541 HydrophobicContact CZ2-CG1 3.81Å; A473-V541 HydrophobicContact CB-CB 4.18Å; A473-V541 HydrophobicContact CB-CG1 3.48Å; A473-V541 VanDerWaalsContact CB-CG1 3.48Å; V476-V541 HydrophobicContact CB-CG1 4.18Å; V476-V541 HydrophobicContact CG1-CG1 4.21Å; V476-V541 HydrophobicContact CG1-CG2 3.87Å; N487-V541 WeakPolarHBondContact O-CA 3Å
542	A	97	Very high	90.5	Very high	9 Å²	9	31 Å²	31	7%	0.074	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	140.4	156.5	0	0	0	0	0	108.2	Y444 E445 A485 S486 N487 F489	Y444-A542 CarbonylContact O-C 3.36Å; Y444-A542 WeakPolarHBondContact O-CA 3.25Å; E445-A542 HydrophobicContact CB-CB 3.89Å; A485-A542 CarbonylContact C-O 3.54Å; A485-A542 WeakPolarHBondContact CA-O 3.34Å; S486-A542 PolarHBondContact N-O 2.96Å; S486-A542 WeakPolarHBondContact OG-CB 3.35Å; S486-A542 PolarHBondContact OG-O 3.08Å; N487-A542 HydrophobicContact CB-CB 4.09Å; N487-A542 PolarHBondContact N-O 3.04Å; N487-A542 PolarHBondContact O-N 3.46Å; F489-A542 HydrophobicContact CE2-CB 3.97Å; F489-A542 HydrophobicContact CZ-CB 4.37Å
543	C	96.9	Very high	91.3	Very high	10 Å²	10	23.2 Å²	23.2	7%	0.068	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	153.8	-173.7	-51.1	0	0	0	0	111.4	Y444 C477 L482 F484	Y444-C543 HydrophobicContact CD1-CB 4.36Å; Y444-C543 PolarHBondContact O-N 3.16Å; C477-C543 VanDerWaalsContact CA-SG 3.52Å; C477-C543 HydrophobicContact CB-CB 3.69Å; C477-C543 WeakPolarHBondContact CB-SG 3.45Å; C477-C543 VanDerWaalsContact SG-CA 3.55Å; C477-C543 WeakPolarHBondContact SG-CB 3.5Å; C477-C543 CovalentContact SG-SG 2.04Å; C477-C543 PolarHBondContact SG-SG 3.01Å; L482-C543 HydrophobicContact CB-CB 3.72Å; L482-C543 WeakPolarHBondContact O-CB 3.31Å; F484-C543 CarbonylContact O-C 3.45Å; F484-C543 WeakPolarHBondContact O-CA 3.29Å; F484-C543 WeakPolarHBondContact O-CB 3.19Å
544	S	94.9	Very high	92	Very high	36 Å²	36	21.6 Å²	21.6	25%	0.252	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	147	178.1	176.1	0	0	0	0	109.8	G483 F484 T546	G483-S544 CarbonylContact C-O 3.58Å; G483-S544 WeakPolarHBondContact CA-O 3.46Å; F484-S544 PolarHBondContact N-O 2.85Å; F484-S544 PolarHBondContact O-N 3.26Å; S544-T546 WeakPolarHBondContact CB-O 3.24Å; S544-T546 PolarHBondContact O-N 3.01Å; S544-T546 PolarHBondContact OG-N 2.93Å; S544-T546 PolarHBondContact OG-O 3.02Å
545	E	90.5	Very high	93	Very high	82 Å²	82	26.2 Å²	26.2	38%	0.383	14%	0.135	S	C	.	.	S	Bend	trans	-69.2	-19.2	175.8	-63.2	-63.9	151.1	0	0	112.7	Y333	Y333-E545 PolarHBondContact OH-OE2 3.25Å
546	T	92.7	Very high	93.9	Very high	55 Å²	55	27.3 Å²	27.3	34%	0.337	14%	0.139	S	C	.	.			trans	-129	154.8	-178	58.4	0	0	0	0	112	S544 Q608	S544-T546 WeakPolarHBondContact CB-O 3.24Å; S544-T546 PolarHBondContact O-N 3.01Å; S544-T546 PolarHBondContact OG-N 2.93Å; S544-T546 PolarHBondContact OG-O 3.02Å; T546-Q608 HydrophobicContact CG2-CB 3.86Å
547	A	97.6	Very high	94.9	Very high	2 Å²	2	23.1 Å²	23.1	2%	0.017	12%	0.12	C	C	.	.			trans	-146.1	152.7	172.4	0	0	0	0	0	110.4	F484 Q608 S609	F484-A547 HydrophobicContact CB-CB 3.97Å; F484-A547 HydrophobicContact CD1-CB 4.19Å; F484-A547 HydrophobicContact CD2-CB 3.84Å; F484-A547 HydrophobicContact CE2-CB 4.34Å; F484-A547 HydrophobicContact CG-CB 3.74Å; A547-Q608 PolarHBondContact O-N 2.79Å; A547-S609 VanDerWaalsContact CA-OG 3.27Å; A547-S609 WeakPolarHBondContact CA-OG 3.47Å; A547-S609 PolarHBondContact N-OG 2.99Å
548	P	98.3	Very high	95.8	Very high	9 Å²	9	22.9 Å²	22.9	6%	0.058	12%	0.121	C	C	.	.			trans	-67.6	171	170.2	31.9	-38.6	0	0	0	111.6	N605 S609 F611 A721 E722 S723	P548-N605 WeakPolarHBondContact CA-OD1 3.24Å; P548-N605 WeakPolarHBondContact CB-OD1 3.3Å; P548-S609 WeakPolarHBondContact CA-O 3.48Å; P548-S609 WeakPolarHBondContact CB-O 3.25Å; P548-F611 HydrophobicContact CB-CB 3.73Å; P548-F611 HydrophobicContact CB-CD2 4.02Å; P548-F611 HydrophobicContact CB-CG 4.39Å; P548-F611 HydrophobicContact CG-CB 4.09Å; P548-F611 HydrophobicContact CG-CD2 3.68Å; P548-F611 HydrophobicContact CG-CG 4.33Å; P548-A721 WeakPolarHBondContact CD-O 3.32Å; P548-A721 WeakPolarHBondContact CG-O 3.3Å; P548-E722 HydrophobicContact CG-CG 4.47Å; P548-E722 CarbonylContact O-C 3.22Å; P548-E722 WeakPolarHBondContact O-CA 3.49Å; P548-E722 WeakPolarHBondContact O-CB 3.49Å; P548-S723 PolarHBondContact O-N 2.83Å
549	D	98.3	Very high	96.3	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.155	C	C	.	.			trans	-149.3	106.4	176.2	-174.8	7.8	0	0	0	108.8	N605 N606 G607 S723 N727	D549-N605 PolarHBondContact N-OD1 3.44Å; D549-N605 VanDerWaalsContact N-OD1 3.1Å; D549-N605 CarbonylContact O-C 3.55Å; D549-N605 WeakPolarHBondContact O-CA 3.32Å; D549-N606 PolarHBondContact O-N 3Å; D549-G607 VanDerWaalsContact CB-CA 3.45Å; D549-S723 WeakPolarHBondContact CB-OG 3.41Å; D549-N727 PolarHBondContact OD1-ND2 3Å; D549-N727 PolarHBondContact OD1-OD1 2.84Å; D549-N727 PolarHBondContact OD2-ND2 2.82Å
550	L	98	Very high	96.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	128.5	-173.2	-58.9	-175.3	0	0	0	112	I603 H604 N605 F611 F635 I681 I714 E722	L550-I603 HydrophobicContact CB-CG2 3.95Å; L550-I603 HydrophobicContact CD1-CG2 4.29Å; L550-I603 HydrophobicContact CD2-CG2 4.13Å; L550-I603 HydrophobicContact CG-CG2 4.36Å; L550-H604 VanDerWaalsContact CA-O 3.25Å; L550-H604 WeakPolarHBondContact CA-O 3.44Å; L550-N605 HydrophobicContact CD2-CB 3.96Å; L550-F611 HydrophobicContact CD1-CD1 4.17Å; L550-F611 HydrophobicContact CD1-CD2 3.53Å; L550-F611 HydrophobicContact CD1-CE1 4.09Å; L550-F611 HydrophobicContact CD1-CE2 3.42Å; L550-F611 VanDerWaalsContact CD1-CE2 3.42Å; L550-F611 HydrophobicContact CD1-CG 3.91Å; L550-F611 HydrophobicContact CD1-CZ 3.72Å; L550-F611 HydrophobicContact CD2-CB 3.93Å; L550-F611 HydrophobicContact CD2-CD2 3.98Å; L550-F611 HydrophobicContact CD2-CG 3.95Å; L550-F611 HydrophobicContact CG-CD2 3.75Å; L550-F611 HydrophobicContact CG-CE2 4.06Å; L550-F611 HydrophobicContact CG-CG 4.19Å; L550-F635 HydrophobicContact CD1-CE2 3.54Å; L550-F635 HydrophobicContact CD1-CZ 3.64Å; L550-I681 HydrophobicContact CD2-CD1 4.26Å; L550-I714 HydrophobicContact CB-CG2 3.94Å; L550-I714 HydrophobicContact CD1-CG2 3.77Å; L550-E722 WeakPolarHBondContact CA-OE2 3.47Å; L550-E722 WeakPolarHBondContact CB-OE2 3.45Å; L550-E722 WeakPolarHBondContact CG-OE2 3.45Å; L550-E722 PolarHBondContact N-OE2 3.41Å
551	V	98	Very high	96.5	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.018	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	134.2	178.7	-166.4	0	0	0	0	110.9	I385 H604 N727 I748	I385-V551 HydrophobicContact CD1-CG1 4.26Å; I385-V551 HydrophobicContact CG2-CG1 3.9Å; V551-H604 PolarHBondContact N-O 2.86Å; V551-H604 PolarHBondContact O-N 3.27Å; V551-N727 HydrophobicContact CG2-CB 4.25Å; V551-N727 WeakPolarHBondContact CG2-ND2 3.31Å; V551-I748 HydrophobicContact CG1-CD1 4.08Å; V551-I748 HydrophobicContact CG1-CG1 4.05Å; V551-I748 HydrophobicContact CG1-CG2 4.37Å
552	L	97.1	Very high	96.5	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.01	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	140.7	173.7	-163.1	70.6	0	0	0	110.1	A554 V557 Q602 I603 V712 I714 M730 I748	L552-A554 PolarHBondContact O-N 3.38Å; L552-A554 VanDerWaalsContact O-N 3.16Å; L552-V557 HydrophobicContact CD2-CG2 3.75Å; L552-V557 HydrophobicContact CG-CG2 4.22Å; L552-Q602 CarbonylContact C-O 3.36Å; L552-Q602 WeakPolarHBondContact CA-O 3.37Å; L552-I603 HydrophobicContact CD1-CD1 4.32Å; L552-I603 HydrophobicContact CD1-CG1 4.01Å; L552-V712 HydrophobicContact CD1-CG1 4.5Å; L552-V712 HydrophobicContact CD2-CB 3.72Å; L552-V712 HydrophobicContact CD2-CG1 3.73Å; L552-V712 HydrophobicContact CD2-CG2 4.16Å; L552-I714 HydrophobicContact CB-CD1 3.64Å; L552-I714 HydrophobicContact CD1-CD1 4.05Å; L552-I714 HydrophobicContact CG-CD1 4.42Å; L552-M730 HydrophobicContact CB-CB 4.22Å; L552-M730 HydrophobicContact CD2-CB 3.64Å; L552-M730 HydrophobicContact CD2-CE 3.67Å; L552-M730 HydrophobicContact CD2-CG 3.9Å; L552-I748 HydrophobicContact CB-CD1 4.34Å; L552-I748 WeakPolarHBondContact O-CD1 3.46Å
553	N	97.5	Very high	96.5	Very high	24 Å²	24	38 Å²	38	13%	0.128	19%	0.192	C	C	.	.			trans	-77.4	100.3	166.4	-167.5	-48.8	0	0	0	110.3	E555 M556 V557 Q602	N553-E555 VanDerWaalsContact C-N 3.32Å; N553-E555 PolarHBondContact O-N 3.19Å; N553-E555 WeakPolarHBondContact OD1-CB 3.47Å; N553-E555 PolarHBondContact OD1-N 3.49Å; N553-M556 HydrophobicContact CB-CB 3.93Å; N553-M556 PolarHBondContact O-N 3.39Å; N553-M556 PolarHBondContact OD1-N 2.83Å; N553-V557 WeakPolarHBondContact O-CG2 3.46Å; N553-V557 PolarHBondContact O-N 3.07Å; N553-Q602 HydrophobicContact CB-CB 3.89Å; N553-Q602 HydrophobicContact CB-CG 4.3Å; N553-Q602 PolarHBondContact N-O 3.43Å; N553-Q602 PolarHBondContact ND2-OE1 3.18Å
554	A	96.6	Very high	96.5	Very high	9 Å²	9	40.4 Å²	40.4	7%	0.074	20%	0.202	C	C	.	.	H	α-helix	trans	-66.1	-32.7	-177.8	0	0	0	0	0	113.2	L552 V557 Q558 M730 C746 I748	L552-A554 PolarHBondContact O-N 3.38Å; L552-A554 VanDerWaalsContact O-N 3.16Å; A554-V557 PolarHBondContact O-N 3.18Å; A554-Q558 PolarHBondContact O-N 3.27Å; A554-Q558 VanDerWaalsContact O-N 3.12Å; A554-M730 HydrophobicContact CB-CG 3.65Å; A554-M730 HydrophobicContact CB-SD 4.34Å; A554-C746 HydrophobicContact CB-CB 4.29Å; A554-C746 WeakPolarHBondContact O-CB 3.36Å; A554-I748 HydrophobicContact CB-CD1 4.02Å
555	E	95.1	Very high	96.5	Very high	115 Å²	115	42.7 Å²	42.7	54%	0.537	21%	0.212	S	C	.	.	H	α-helix	trans	-68.4	-42.2	-180	-66	150.2	-174.5	0	0	110.6	N553 V557 Q558 Q559	N553-E555 VanDerWaalsContact C-N 3.32Å; N553-E555 PolarHBondContact O-N 3.19Å; N553-E555 WeakPolarHBondContact OD1-CB 3.47Å; N553-E555 PolarHBondContact OD1-N 3.49Å; E555-V557 VanDerWaalsContact C-N 3.33Å; E555-V557 PolarHBondContact O-N 3.47Å; E555-Q558 WeakPolarHBondContact O-CB 3.08Å; E555-Q558 PolarHBondContact O-N 3.17Å; E555-Q558 VanDerWaalsContact O-N 3.16Å; E555-Q559 WeakPolarHBondContact O-CB 2.99Å; E555-Q559 VanDerWaalsContact O-CG 3.24Å; E555-Q559 WeakPolarHBondContact O-CG 3.46Å; E555-Q559 PolarHBondContact O-N 3.22Å
556	M	96.2	Very high	96.7	Very high	46 Å²	46	40.6 Å²	40.6	23%	0.227	20%	0.2	C	C	.	.	H	α-helix	trans	-58.5	-44.4	175.6	-174.4	59.1	63	0	0	111.6	N553 Q558 Q559 T560 Q602 M688	N553-M556 HydrophobicContact CB-CB 3.93Å; N553-M556 PolarHBondContact O-N 3.39Å; N553-M556 PolarHBondContact OD1-N 2.83Å; M556-Q558 VanDerWaalsContact C-N 3.35Å; M556-Q558 PolarHBondContact O-N 2.92Å; M556-Q559 PolarHBondContact O-N 2.87Å; M556-T560 HydrophobicContact CG-CG2 4.43Å; M556-T560 WeakPolarHBondContact O-CB 3.45Å; M556-T560 WeakPolarHBondContact O-CG2 3.44Å; M556-T560 PolarHBondContact O-N 2.9Å; M556-T560 PolarHBondContact O-OG1 3.33Å; M556-T560 HydrophobicContact SD-CG2 3.65Å; M556-Q602 HydrophobicContact CG-CB 4.38Å; M556-M688 HydrophobicContact CE-CE 4.09Å; M556-M688 HydrophobicContact CG-CE 4.14Å; M556-M688 HydrophobicContact SD-CE 4.3Å
557	V	96.6	Very high	96.9	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59.8	-47.9	175.7	175.6	0	0	0	0	110.1	L552 N553 A554 E555 Q559 T560 T561 F599 S600 F710 M730	L552-V557 HydrophobicContact CD2-CG2 3.75Å; L552-V557 HydrophobicContact CG-CG2 4.22Å; N553-V557 WeakPolarHBondContact O-CG2 3.46Å; N553-V557 PolarHBondContact O-N 3.07Å; A554-V557 PolarHBondContact O-N 3.18Å; E555-V557 VanDerWaalsContact C-N 3.33Å; E555-V557 PolarHBondContact O-N 3.47Å; V557-Q559 VanDerWaalsContact C-N 3.34Å; V557-Q559 PolarHBondContact O-N 2.89Å; V557-T560 PolarHBondContact O-N 3.36Å; V557-T561 PolarHBondContact O-N 2.89Å; V557-T561 PolarHBondContact O-OG1 3.04Å; V557-F599 HydrophobicContact CG1-CB 4.21Å; V557-F599 HydrophobicContact CG1-CD2 4.27Å; V557-F599 HydrophobicContact CG1-CG 4.45Å; V557-S600 WeakPolarHBondContact CG2-O 3.43Å; V557-F710 HydrophobicContact CG1-CD1 4.36Å; V557-F710 HydrophobicContact CG1-CE1 3.68Å; V557-M730 HydrophobicContact CB-CE 4.14Å; V557-M730 HydrophobicContact CG1-CE 3.75Å; V557-M730 HydrophobicContact CG2-CE 3.97Å
558	Q	96.4	Very high	96.6	Very high	78 Å²	78	39.4 Å²	39.4	36%	0.364	19%	0.192	S	C	.	.	H	α-helix	trans	-61	-42.6	-179.4	-163.3	173	-90.6	0	0	112.3	A554 E555 M556 M743 N745 C746	A554-Q558 PolarHBondContact O-N 3.27Å; A554-Q558 VanDerWaalsContact O-N 3.12Å; E555-Q558 WeakPolarHBondContact O-CB 3.08Å; E555-Q558 PolarHBondContact O-N 3.17Å; E555-Q558 VanDerWaalsContact O-N 3.16Å; M556-Q558 VanDerWaalsContact C-N 3.35Å; M556-Q558 PolarHBondContact O-N 2.92Å; Q558-M743 HydrophobicContact CG-CB 4.44Å; Q558-N745 VanDerWaalsContact OE1-N 3.13Å; Q558-C746 HydrophobicContact CB-CB 3.9Å; Q558-C746 VanDerWaalsContact CB-SG 3.56Å; Q558-C746 HydrophobicContact CG-CB 4.3Å
559	Q	96.6	Very high	96.3	Very high	149 Å²	149	45.2 Å²	45.2	70%	0.696	22%	0.217	S	C	*	.	H	α-helix	trans	-73.3	-30.7	-176.6	-70.2	172.3	16.1	0	0	113.1	E555 M556 V557	E555-Q559 WeakPolarHBondContact O-CB 2.99Å; E555-Q559 VanDerWaalsContact O-CG 3.24Å; E555-Q559 WeakPolarHBondContact O-CG 3.46Å; E555-Q559 PolarHBondContact O-N 3.22Å; M556-Q559 PolarHBondContact O-N 2.87Å; V557-Q559 VanDerWaalsContact C-N 3.34Å; V557-Q559 PolarHBondContact O-N 2.89Å
560	T	97.4	Very high	95.9	Very high	25 Å²	25	49.4 Å²	49.4	15%	0.153	24%	0.237	C	C	.	.	H	α-helix	trans	-103.2	5	-172.4	61.7	0	0	0	0	114.2	M556 V557 Y562 S600	M556-T560 HydrophobicContact CG-CG2 4.43Å; M556-T560 WeakPolarHBondContact O-CB 3.45Å; M556-T560 WeakPolarHBondContact O-CG2 3.44Å; M556-T560 PolarHBondContact O-N 2.9Å; M556-T560 PolarHBondContact O-OG1 3.33Å; M556-T560 HydrophobicContact SD-CG2 3.65Å; V557-T560 PolarHBondContact O-N 3.36Å; T560-Y562 VanDerWaalsContact O-CD1 3.26Å; T560-Y562 WeakPolarHBondContact O-CD1 3.19Å; T560-S600 WeakPolarHBondContact OG1-CB 3.1Å; T560-S600 PolarHBondContact OG1-N 3.23Å; T560-S600 PolarHBondContact OG1-OG 3.42Å
561	T	97.5	Very high	95.6	Very high	26 Å²	26	49.5 Å²	49.5	16%	0.16	24%	0.238	C	C	.	.			trans	-75.6	128.6	-179.4	-65.1	0	0	0	0	112.3	V557 L597 R598 I741 M743	V557-T561 PolarHBondContact O-N 2.89Å; V557-T561 PolarHBondContact O-OG1 3.04Å; T561-L597 HydrophobicContact CG2-CD1 3.46Å; T561-L597 VanDerWaalsContact CG2-CD1 3.46Å; T561-R598 VanDerWaalsContact CA-O 3.23Å; T561-R598 WeakPolarHBondContact CA-O 3.19Å; T561-I741 HydrophobicContact CG2-CG2 4.1Å; T561-M743 HydrophobicContact CG2-CB 4.5Å; T561-M743 HydrophobicContact CG2-CE 4.22Å; T561-M743 HydrophobicContact CG2-CG 3.54Å
562	Y	96.9	Very high	95	Very high	87 Å²	87	55.7 Å²	55.7	34%	0.341	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	169	171.5	64	-85.7	0	0	0	112.8	T560 E564 R598 H691	T560-Y562 VanDerWaalsContact O-CD1 3.26Å; T560-Y562 WeakPolarHBondContact O-CD1 3.19Å; Y562-E564 HydrophobicContact CE2-CB 4.35Å; Y562-R598 HydrophobicContact CD1-CB 4.39Å; Y562-R598 HydrophobicContact CD2-CB 4.47Å; Y562-R598 HydrophobicContact CE1-CB 4Å; Y562-R598 HydrophobicContact CE2-CB 4.1Å; Y562-R598 HydrophobicContact CE2-CG 4.39Å; Y562-R598 VanDerWaalsContact CZ-CD 3.49Å; Y562-R598 PolarHBondContact N-O 2.9Å; Y562-R598 PolarHBondContact O-N 3.15Å; Y562-R598 WeakPolarHBondContact OH-CD 3.36Å; Y562-H691 HydrophobicContact CE1-CB 3.89Å; Y562-H691 AromaticContact CE1-CG 3.7Å; Y562-H691 AromaticContact CE1-ND1 3.64Å; Y562-H691 AromaticContact CZ-ND1 3.9Å; Y562-H691 PolarHBondContact OH-ND1 3.12Å
563	L	97.5	Very high	94.4	Very high	40 Å²	40	56.6 Å²	56.6	21%	0.209	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	138.9	174.4	-62.7	-175	0	0	0	111.3	L596 L597 I700 Y736 I741	L563-L596 WeakPolarHBondContact CA-O 3.31Å; L563-L597 HydrophobicContact CD2-CB 4.19Å; L563-L597 HydrophobicContact CD2-CD1 3.88Å; L563-I700 HydrophobicContact CD2-CD1 3.51Å; L563-I700 HydrophobicContact CD2-CG1 4.49Å; L563-Y736 HydrophobicContact CD1-CD2 4.08Å; L563-Y736 HydrophobicContact CD1-CE2 3.71Å; L563-I741 HydrophobicContact CD1-CB 4.17Å; L563-I741 HydrophobicContact CD1-CG2 4.41Å; L563-I741 HydrophobicContact CD2-CB 4.12Å; L563-I741 HydrophobicContact CD2-CD1 4.48Å; L563-I741 HydrophobicContact CD2-CG2 3.8Å; L563-I741 HydrophobicContact CG-CB 4.09Å; L563-I741 HydrophobicContact CG-CG2 3.79Å
564	E	96.4	Very high	93.9	Very high	61 Å²	61	55.4 Å²	55.4	29%	0.285	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	128.1	171.2	-173.5	-168.7	-154	0	0	110.2	Y562 R566 L596 R598	Y562-E564 HydrophobicContact CE2-CB 4.35Å; E564-R566 HydrophobicContact CG-CB 4.36Å; E564-L596 PolarHBondContact N-O 3.46Å; E564-L596 PolarHBondContact O-N 3.1Å; E564-R598 IonicContact OE2-CZ 3.76Å; E564-R598 IonicContact OE2-NE 3.94Å; E564-R598 PolarHBondContact OE2-NE 2.97Å; E564-R598 IonicContact OE2-NH2 2.92Å; E564-R598 PolarHBondContact OE2-NH2 3.26Å
565	D	95.8	Very high	93.3	Very high	84 Å²	84	57.9 Å²	57.9	45%	0.449	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	104.6	167.3	-71.6	-39.6	0	0	0	108.6	R594 R595	D565-R594 CarbonylContact C-O 3.47Å; D565-R594 WeakPolarHBondContact CA-O 3.15Å; D565-R595 WeakPolarHBondContact OD1-CA 3.32Å; D565-R595 VanDerWaalsContact OD1-CB 3.29Å; D565-R595 WeakPolarHBondContact OD1-CB 3.43Å; D565-R595 WeakPolarHBondContact OD1-CG 3.48Å; D565-R595 IonicContact OD1-CZ 3.35Å; D565-R595 IonicContact OD1-NE 3.47Å; D565-R595 PolarHBondContact OD1-NE 3.02Å; D565-R595 IonicContact OD1-NH2 3.68Å; D565-R595 PolarHBondContact OD1-NH2 2.97Å; D565-R595 IonicContact OD2-CZ 2.97Å; D565-R595 IonicContact OD2-NE 3.6Å; D565-R595 IonicContact OD2-NH2 2.74Å; D565-R595 PolarHBondContact OD2-NH2 3.01Å
566	R	95	Very high	92.7	Very high	37 Å²	37	58.3 Å²	58.3	14%	0.14	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	128.6	-174.2	-166	162.3	165.5	-169.4	-12.3	110.9	E564 M570 L571 Y593 R594 L596 D694	E564-R566 HydrophobicContact CG-CB 4.36Å; R566-M570 HydrophobicContact CG-CB 4.19Å; R566-M570 HydrophobicContact CG-CE 4.26Å; R566-M570 PolarHBondContact NH2-O 3.16Å; R566-L571 HydrophobicContact CB-CD1 4.21Å; R566-L571 HydrophobicContact CB-CD2 4.43Å; R566-L571 HydrophobicContact CB-CG 4.41Å; R566-L571 HydrophobicContact CG-CD1 4.4Å; R566-L571 HydrophobicContact CG-CD2 4.04Å; R566-L571 HydrophobicContact CG-CG 4.06Å; R566-Y593 WeakPolarHBondContact O-CA 3.46Å; R566-R594 PolarHBondContact N-O 3.38Å; R566-R594 PolarHBondContact O-N 2.84Å; R566-L596 HydrophobicContact CB-CD1 4.03Å; R566-D694 IonicContact CZ-OD1 3.29Å; R566-D694 IonicContact NH1-OD1 2.89Å; R566-D694 PolarHBondContact NH1-OD1 3.49Å; R566-D694 IonicContact NH2-OD1 3.69Å; R566-D694 PolarHBondContact NH2-OD1 2.84Å; R566-D694 VanDerWaalsContact NH2-OD1 3.15Å; R566-D694 IonicContact NH2-OD2 3.43Å
567	P	95.3	Very high	91.9	Very high	15 Å²	15	57.2 Å²	57.2	10%	0.097	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	146.6	178.2	28.2	-37.1	0	0	0	111.8	F569 M570 G592 Y593	P567-F569 VanDerWaalsContact C-N 3.3Å; P567-F569 HydrophobicContact CB-CD1 3.69Å; P567-F569 HydrophobicContact CB-CE1 3.5Å; P567-F569 HydrophobicContact CG-CD1 3.93Å; P567-F569 HydrophobicContact CG-CE1 3.34Å; P567-F569 HydrophobicContact CG-CZ 3.9Å; P567-F569 PolarHBondContact O-N 3.47Å; P567-M570 VanDerWaalsContact CD-CE 3.42Å; P567-M570 HydrophobicContact CG-CE 3.29Å; P567-M570 HydrophobicContact CG-CG 4.23Å; P567-M570 PolarHBondContact O-N 2.84Å; P567-G592 WeakPolarHBondContact CA-O 3.26Å; P567-Y593 HydrophobicContact CB-CD1 4.01Å; P567-Y593 HydrophobicContact CB-CE1 3.77Å; P567-Y593 HydrophobicContact CG-CE1 4.23Å
568	M	93	Very high	91.4	Very high	17 Å²	17	63.9 Å²	63.9	8%	0.084	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-58	-34.8	-173.6	-76.8	-71.1	-65.8	0	0	114.6	M570 L571 M575 A584 T587 G592 R594	M568-M570 PolarHBondContact O-N 3.12Å; M568-M570 VanDerWaalsContact O-N 3.14Å; M568-L571 PolarHBondContact O-N 3.13Å; M568-M575 HydrophobicContact CE-CE 3.2Å; M568-M575 HydrophobicContact SD-CE 4.3Å; M568-A584 WeakPolarHBondContact CE-O 3.36Å; M568-T587 HydrophobicContact CG-CG2 3.6Å; M568-T587 HydrophobicContact SD-CG2 4.05Å; M568-G592 PolarHBondContact N-O 3.4Å; M568-R594 HydrophobicContact SD-CG 3.54Å; M568-R594 VanDerWaalsContact SD-CG 3.54Å
569	F	90.7	Very high	91	Very high	132 Å²	132	60.4 Å²	60.4	58%	0.579	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-62.6	-21	178.7	76.4	-92.3	0	0	0	113.4	P567 P589	P567-F569 VanDerWaalsContact C-N 3.3Å; P567-F569 HydrophobicContact CB-CD1 3.69Å; P567-F569 HydrophobicContact CB-CE1 3.5Å; P567-F569 HydrophobicContact CG-CD1 3.93Å; P567-F569 HydrophobicContact CG-CE1 3.34Å; P567-F569 HydrophobicContact CG-CZ 3.9Å; P567-F569 PolarHBondContact O-N 3.47Å; F569-P589 PolarHBondContact N-O 2.94Å; F569-P589 VanDerWaalsContact N-O 3.1Å
570	M	91	Very high	90.7	Very high	88 Å²	88	54.3 Å²	54.3	43%	0.433	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-91.1	-1.2	174.7	-64	-158.7	-81.2	0	0	113.3	R566 P567 M568	R566-M570 HydrophobicContact CG-CB 4.19Å; R566-M570 HydrophobicContact CG-CE 4.26Å; R566-M570 PolarHBondContact NH2-O 3.16Å; P567-M570 VanDerWaalsContact CD-CE 3.42Å; P567-M570 HydrophobicContact CG-CE 3.29Å; P567-M570 HydrophobicContact CG-CG 4.23Å; P567-M570 PolarHBondContact O-N 2.84Å; M568-M570 PolarHBondContact O-N 3.12Å; M568-M570 VanDerWaalsContact O-N 3.14Å
571	L	90.4	Very high	90.4	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	27%	0.267	C	S	.	.			trans	-116	18.6	-174.9	-65.4	174.7	0	0	0	112.7	R566 M568 C573 A574 M575 L580 R594 L596 W697	R566-L571 HydrophobicContact CB-CD1 4.21Å; R566-L571 HydrophobicContact CB-CD2 4.43Å; R566-L571 HydrophobicContact CB-CG 4.41Å; R566-L571 HydrophobicContact CG-CD1 4.4Å; R566-L571 HydrophobicContact CG-CD2 4.04Å; R566-L571 HydrophobicContact CG-CG 4.06Å; M568-L571 PolarHBondContact O-N 3.13Å; L571-C573 VanDerWaalsContact C-N 3.29Å; L571-C573 PolarHBondContact O-N 3.17Å; L571-A574 HydrophobicContact CB-CB 4.4Å; L571-A574 HydrophobicContact CD2-CB 4.26Å; L571-A574 PolarHBondContact O-N 3.01Å; L571-M575 PolarHBondContact O-N 3.41Å; L571-L580 HydrophobicContact CB-CD1 4.15Å; L571-L580 HydrophobicContact CD1-CD1 4.4Å; L571-L580 HydrophobicContact CD1-CD2 4.18Å; L571-R594 HydrophobicContact CD1-CB 3.73Å; L571-R594 HydrophobicContact CD1-CG 3.55Å; L571-L596 HydrophobicContact CD1-CD1 4.44Å; L571-L596 HydrophobicContact CD2-CD1 4.06Å; L571-W697 HydrophobicContact CD2-CH2 3.84Å; L571-W697 HydrophobicContact CD2-CZ2 4.02Å
572	Q	86.2	Confident	90	Very high	133 Å²	133	57.5 Å²	57.5	62%	0.621	30%	0.296	S	S	*	.	H	α-helix	trans	-56.5	-46.8	179.7	-176.7	177.1	-13.6	0	0	111.5	M575 E576	Q572-M575 WeakPolarHBondContact O-CB 3.34Å; Q572-M575 PolarHBondContact O-N 2.94Å; Q572-E576 PolarHBondContact NE2-OE1 3.41Å; Q572-E576 PolarHBondContact O-N 2.94Å; Q572-E576 VanDerWaalsContact O-N 3.11Å
573	C	84.5	Confident	89.8	Confident	21 Å²	21	55 Å²	55	14%	0.142	29%	0.291	C	S	.	.	H	α-helix	trans	-53.9	-55.3	173.3	167.6	0	0	0	0	112.7	L571 M575 E576 E577 C625	L571-C573 VanDerWaalsContact C-N 3.29Å; L571-C573 PolarHBondContact O-N 3.17Å; C573-M575 PolarHBondContact O-N 3.21Å; C573-M575 VanDerWaalsContact O-N 3.12Å; C573-E576 WeakPolarHBondContact O-CB 3.25Å; C573-E576 PolarHBondContact O-N 2.95Å; C573-E577 PolarHBondContact O-N 2.95Å; C573-E577 VanDerWaalsContact SG-CD 3.59Å; C573-E577 PolarHBondContact SG-OE2 3.21Å; C573-C625 WeakPolarHBondContact CA-SG 3.3Å; C573-C625 HydrophobicContact CB-CB 3.98Å; C573-C625 WeakPolarHBondContact CB-SG 3.37Å; C573-C625 WeakPolarHBondContact SG-CB 3.45Å; C573-C625 CovalentContact SG-SG 1.97Å; C573-C625 PolarHBondContact SG-SG 3.18Å
574	A	86.3	Confident	89.6	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60.8	-26.1	-178.5	0	0	0	0	0	113.3	L571 N578 C579 L580 W697	L571-A574 HydrophobicContact CB-CB 4.4Å; L571-A574 HydrophobicContact CD2-CB 4.26Å; L571-A574 PolarHBondContact O-N 3.01Å; A574-N578 PolarHBondContact O-N 3.46Å; A574-C579 HydrophobicContact CB-CB 4.15Å; A574-C579 WeakPolarHBondContact O-CB 3.36Å; A574-C579 PolarHBondContact O-N 2.94Å; A574-L580 HydrophobicContact CB-CD1 4.4Å; A574-L580 HydrophobicContact CB-CD2 4.29Å; A574-L580 HydrophobicContact CB-CG 4.14Å; A574-W697 HydrophobicContact CB-CH2 3.92Å; A574-W697 HydrophobicContact CB-CZ2 3.51Å
575	M	85.4	Confident	89.3	Confident	61 Å²	61	54.1 Å²	54.1	30%	0.3	30%	0.299	S	S	.	.	H	α-helix	trans	-72.7	-44.5	172.5	-170.2	69.5	72.5	0	0	111.8	M568 L571 Q572 C573 E577 N578 L580 A584	M568-M575 HydrophobicContact CE-CE 3.2Å; M568-M575 HydrophobicContact SD-CE 4.3Å; L571-M575 PolarHBondContact O-N 3.41Å; Q572-M575 WeakPolarHBondContact O-CB 3.34Å; Q572-M575 PolarHBondContact O-N 2.94Å; C573-M575 PolarHBondContact O-N 3.21Å; C573-M575 VanDerWaalsContact O-N 3.12Å; M575-E577 PolarHBondContact O-N 3.38Å; M575-N578 PolarHBondContact O-N 2.96Å; M575-L580 HydrophobicContact CB-CD1 4.31Å; M575-L580 HydrophobicContact CE-CD1 3.7Å; M575-L580 HydrophobicContact SD-CD1 4.23Å; M575-A584 HydrophobicContact CE-CB 3.73Å; M575-A584 WeakPolarHBondContact CE-O 3.23Å; M575-A584 HydrophobicContact SD-CB 4.38Å
576	E	81.9	Confident	89	Confident	124 Å²	124	58.8 Å²	58.8	58%	0.579	32%	0.319	S	S	*	.	H	α-helix	trans	-62.7	-31.5	177.9	-70.8	172.7	-168.9	0	0	111.4	Q572 C573	Q572-E576 PolarHBondContact NE2-OE1 3.41Å; Q572-E576 PolarHBondContact O-N 2.94Å; Q572-E576 VanDerWaalsContact O-N 3.11Å; C573-E576 WeakPolarHBondContact O-CB 3.25Å; C573-E576 PolarHBondContact O-N 2.95Å
577	E	79.3	Confident	88.9	Confident	22 Å²	22	58.7 Å²	58.7	10%	0.103	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	8.2	-178.7	-66.2	169.4	171	0	0	113.6	C573 M575 C579 H623 C625 A654 C695	C573-E577 PolarHBondContact O-N 2.95Å; C573-E577 VanDerWaalsContact SG-CD 3.59Å; C573-E577 PolarHBondContact SG-OE2 3.21Å; M575-E577 PolarHBondContact O-N 3.38Å; E577-C579 VanDerWaalsContact C-N 3.27Å; E577-C579 PolarHBondContact O-N 3.12Å; E577-C579 PolarHBondContact O-SG 3.23Å; E577-H623 VanDerWaalsContact CD-ND1 3.31Å; E577-H623 IonicContact OE1-CD2 3.19Å; E577-H623 IonicContact OE1-CE1 3.17Å; E577-H623 PolarHBondContact OE1-CE1 3.42Å; E577-H623 IonicContact OE1-CG 3.8Å; E577-H623 VanDerWaalsContact OE1-CG 3.31Å; E577-H623 IonicContact OE1-ND1 3.81Å; E577-H623 PolarHBondContact OE1-ND1 3.42Å; E577-H623 IonicContact OE1-NE2 2.79Å; E577-H623 PolarHBondContact OE1-NE2 3.48Å; E577-H623 IonicContact OE2-CE1 2.79Å; E577-H623 PolarHBondContact OE2-CE1 2.04Å; E577-H623 IonicContact OE2-ND1 2.7Å; E577-H623 IonicContact OE2-NE2 3.62Å; E577-H623 PolarHBondContact OE2-NE2 2.67Å; E577-C625 WeakPolarHBondContact OE1-CB 3.01Å; E577-C625 PolarHBondContact OE1-SG 2.89Å; E577-A654 VanDerWaalsContact O-CB 3.32Å; E577-A654 WeakPolarHBondContact O-CB 3.15Å; E577-C695 PolarHBondContact OE2-SG 3.44Å
578	N	85.4	Confident	88.7	Confident	140 Å²	140	61.8 Å²	61.8	75%	0.749	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	35.7	179.4	-57.3	-61.9	0	0	0	114.3	A574 M575	A574-N578 PolarHBondContact O-N 3.46Å; M575-N578 PolarHBondContact O-N 2.96Å
579	C	87.4	Confident	88.4	Confident	5 Å²	5	64.9 Å²	64.9	3%	0.034	36%	0.36	C	S	.	.			trans	-93	7.3	-179.4	-55.5	0	0	0	0	114.1	A574 E577 C695 W697	A574-C579 HydrophobicContact CB-CB 4.15Å; A574-C579 WeakPolarHBondContact O-CB 3.36Å; A574-C579 PolarHBondContact O-N 2.94Å; E577-C579 VanDerWaalsContact C-N 3.27Å; E577-C579 PolarHBondContact O-N 3.12Å; E577-C579 PolarHBondContact O-SG 3.23Å; C579-C695 HydrophobicContact CB-CB 3.64Å; C579-C695 WeakPolarHBondContact CB-SG 3.46Å; C579-C695 WeakPolarHBondContact SG-CB 2.97Å; C579-C695 CovalentContact SG-SG 2.02Å; C579-C695 PolarHBondContact SG-SG 3.11Å; C579-W697 PolarHBondContact O-NE1 3.38Å
580	L	90.6	Very high	88.3	Confident	22 Å²	22	63.8 Å²	63.8	12%	0.115	36%	0.364	C	S	.	.	S	Bend	trans	-117.7	156.2	-179.5	-59.3	175.8	0	0	0	110.5	L571 A574 M575 A584 R594 L596 W697	L571-L580 HydrophobicContact CB-CD1 4.15Å; L571-L580 HydrophobicContact CD1-CD1 4.4Å; L571-L580 HydrophobicContact CD1-CD2 4.18Å; A574-L580 HydrophobicContact CB-CD1 4.4Å; A574-L580 HydrophobicContact CB-CD2 4.29Å; A574-L580 HydrophobicContact CB-CG 4.14Å; M575-L580 HydrophobicContact CB-CD1 4.31Å; M575-L580 HydrophobicContact CE-CD1 3.7Å; M575-L580 HydrophobicContact SD-CD1 4.23Å; L580-A584 HydrophobicContact CB-CB 3.54Å; L580-A584 HydrophobicContact CD1-CB 3.97Å; L580-A584 HydrophobicContact CG-CB 4.38Å; L580-R594 HydrophobicContact CD2-CG 4.38Å; L580-L596 HydrophobicContact CD2-CD2 4.09Å; L580-W697 HydrophobicContact CD2-CZ2 4.11Å
581	S	90.9	Very high	88.2	Confident	25 Å²	25	64 Å²	64	18%	0.175	37%	0.37	C	S	.	.			trans	-66.6	161.7	178.6	92.5	0	0	0	0	111.2	S583 A584 R594 D699 D702	S581-S583 PolarHBondContact O-N 2.91Å; S581-S583 PolarHBondContact OG-N 2.91Å; S581-S583 PolarHBondContact OG-OG 3.41Å; S581-A584 WeakPolarHBondContact O-CB 3.26Å; S581-A584 PolarHBondContact O-N 2.75Å; S581-R594 PolarHBondContact OG-NH2 3.15Å; S581-D699 PolarHBondContact N-OD2 2.92Å; S581-D702 PolarHBondContact OG-OD2 2.75Å
582	A	90.9	Very high	88.3	Confident	93 Å²	93	64.6 Å²	64.6	77%	0.769	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-56.9	-27.1	-178.6	0	0	0	0	0	114.2	A584 A585	A582-A584 PolarHBondContact O-N 3.18Å; A582-A585 PolarHBondContact O-N 3.14Å
583	S	92.2	Very high	88.7	Confident	35 Å²	35	65 Å²	65	25%	0.245	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-70.8	-20	177.4	73.7	0	0	0	0	113	S581 A585 Q586 T587 R594 D702	S581-S583 PolarHBondContact O-N 2.91Å; S581-S583 PolarHBondContact OG-N 2.91Å; S581-S583 PolarHBondContact OG-OG 3.41Å; S583-A585 PolarHBondContact O-N 3.23Å; S583-Q586 PolarHBondContact O-N 2.93Å; S583-T587 PolarHBondContact O-N 3.41Å; S583-T587 PolarHBondContact O-OG1 2.9Å; S583-R594 PolarHBondContact OG-NH1 3.34Å; S583-R594 PolarHBondContact OG-NH2 3.02Å; S583-D702 WeakPolarHBondContact CB-OD1 3.06Å; S583-D702 WeakPolarHBondContact CB-OD2 3.44Å; S583-D702 PolarHBondContact OG-OD1 2.82Å; S583-D702 PolarHBondContact OG-OD2 3.14Å
584	A	92.1	Very high	89.3	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-62.2	-33.4	177.7	0	0	0	0	0	111.9	M568 M575 L580 S581 A582 Q586 T587	M568-A584 WeakPolarHBondContact CE-O 3.36Å; M575-A584 HydrophobicContact CE-CB 3.73Å; M575-A584 WeakPolarHBondContact CE-O 3.23Å; M575-A584 HydrophobicContact SD-CB 4.38Å; L580-A584 HydrophobicContact CB-CB 3.54Å; L580-A584 HydrophobicContact CD1-CB 3.97Å; L580-A584 HydrophobicContact CG-CB 4.38Å; S581-A584 WeakPolarHBondContact O-CB 3.26Å; S581-A584 PolarHBondContact O-N 2.75Å; A582-A584 PolarHBondContact O-N 3.18Å; A584-Q586 PolarHBondContact O-N 3.34Å; A584-Q586 VanDerWaalsContact O-N 3.11Å; A584-T587 WeakPolarHBondContact O-CB 3.23Å; A584-T587 PolarHBondContact O-N 2.92Å
585	A	90.5	Very high	89.7	Confident	81 Å²	81	66.6 Å²	66.6	67%	0.669	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-60.1	-23.7	177.9	0	0	0	0	0	113.7	A582 S583	A582-A585 PolarHBondContact O-N 3.14Å; S583-A585 PolarHBondContact O-N 3.23Å
586	Q	91	Very high	90.2	Very high	182 Å²	182	63.7 Å²	63.7	85%	0.85	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-104.8	3.5	179.2	-59.2	179.9	14.9	0	0	112.8	S583 A584	S583-Q586 PolarHBondContact O-N 2.93Å; A584-Q586 PolarHBondContact O-N 3.34Å; A584-Q586 VanDerWaalsContact O-N 3.11Å
587	T	91.6	Very high	91	Very high	35 Å²	35	57.8 Å²	57.8	22%	0.215	33%	0.334	C	S	.	.	S	Bend	trans	-86.1	136.7	-176.9	-59.9	0	0	0	0	110.6	M568 S583 A584 P589 R594	M568-T587 HydrophobicContact CG-CG2 3.6Å; M568-T587 HydrophobicContact SD-CG2 4.05Å; S583-T587 PolarHBondContact O-N 3.41Å; S583-T587 PolarHBondContact O-OG1 2.9Å; A584-T587 WeakPolarHBondContact O-CB 3.23Å; A584-T587 PolarHBondContact O-N 2.92Å; T587-P589 WeakPolarHBondContact O-CD 3.39Å; T587-R594 PolarHBondContact OG1-NH1 3.39Å
588	N	90.9	Very high	91.8	Very high	80 Å²	80	56.9 Å²	56.9	43%	0.428	33%	0.33	S	S	.	.			trans	-64.2	125.6	-177.8	-174.4	-35.8	0	0	0	111.6	T590 G592	N588-T590 PolarHBondContact O-N 3.18Å; N588-T590 PolarHBondContact OD1-N 2.86Å; N588-T590 PolarHBondContact OD1-OG1 3.24Å; N588-G592 VanDerWaalsContact O-CA 3.3Å; N588-G592 WeakPolarHBondContact O-CA 3.18Å; N588-G592 PolarHBondContact O-N 2.88Å
589	P	88.3	Confident	92.3	Very high	83 Å²	83	50.2 Å²	50.2	54%	0.539	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-29.2	179.1	-27.1	35.7	0	0	0	115.5	F569 T587	F569-P589 PolarHBondContact N-O 2.94Å; F569-P589 VanDerWaalsContact N-O 3.1Å; T587-P589 WeakPolarHBondContact O-CD 3.39Å
590	T	87.6	Confident	92.7	Very high	109 Å²	109	50.1 Å²	50.1	67%	0.669	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-27.5	-172	55.7	0	0	0	0	114.3	N588	N588-T590 PolarHBondContact O-N 3.18Å; N588-T590 PolarHBondContact OD1-N 2.86Å; N588-T590 PolarHBondContact OD1-OG1 3.24Å
591	T	89.3	Confident	92.9	Very high	93 Å²	93	49.1 Å²	49.1	57%	0.571	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.4	-12.7	-174.8	58.1	0	0	0	0	114.1	Y593	T591-Y593 WeakPolarHBondContact O-CD2 3.44Å; T591-Y593 WeakPolarHBondContact O-CE2 3.33Å
592	G	92.8	Very high	93.2	Very high	12 Å²	12	48.6 Å²	48.6	12%	0.124	28%	0.283	C	S	.	.			trans	-80.5	150.3	-178.2	0	0	0	0	0	112.6	P567 M568 N588	P567-G592 WeakPolarHBondContact CA-O 3.26Å; M568-G592 PolarHBondContact N-O 3.4Å; N588-G592 VanDerWaalsContact O-CA 3.3Å; N588-G592 WeakPolarHBondContact O-CA 3.18Å; N588-G592 PolarHBondContact O-N 2.88Å
593	Y	94.4	Very high	93.5	Very high	141 Å²	141	44.2 Å²	44.2	55%	0.553	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-125.2	151.3	176.9	-68.4	-98.1	0	0	0	109.4	R566 P567 T591	R566-Y593 WeakPolarHBondContact O-CA 3.46Å; P567-Y593 HydrophobicContact CB-CD1 4.01Å; P567-Y593 HydrophobicContact CB-CE1 3.77Å; P567-Y593 HydrophobicContact CG-CE1 4.23Å; T591-Y593 WeakPolarHBondContact O-CD2 3.44Å; T591-Y593 WeakPolarHBondContact O-CE2 3.33Å
594	R	96	Very high	93.8	Very high	4 Å²	4	43.1 Å²	43.1	2%	0.015	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	137.7	168.6	-53.7	-54.7	-58.3	173.8	-1.5	108.6	D565 R566 M568 L571 L580 S581 S583 T587 L596 D699 T701 D702	D565-R594 CarbonylContact C-O 3.47Å; D565-R594 WeakPolarHBondContact CA-O 3.15Å; R566-R594 PolarHBondContact N-O 3.38Å; R566-R594 PolarHBondContact O-N 2.84Å; M568-R594 HydrophobicContact SD-CG 3.54Å; M568-R594 VanDerWaalsContact SD-CG 3.54Å; L571-R594 HydrophobicContact CD1-CB 3.73Å; L571-R594 HydrophobicContact CD1-CG 3.55Å; L580-R594 HydrophobicContact CD2-CG 4.38Å; S581-R594 PolarHBondContact OG-NH2 3.15Å; S583-R594 PolarHBondContact OG-NH1 3.34Å; S583-R594 PolarHBondContact OG-NH2 3.02Å; T587-R594 PolarHBondContact OG1-NH1 3.39Å; R594-L596 HydrophobicContact CB-CD2 3.9Å; R594-L596 HydrophobicContact CB-CG 4.42Å; R594-D699 IonicContact CZ-OD1 2.9Å; R594-D699 IonicContact CZ-OD2 2.84Å; R594-D699 VanDerWaalsContact CZ-OD2 3.27Å; R594-D699 IonicContact NE-OD1 2.76Å; R594-D699 IonicContact NE-OD2 3.63Å; R594-D699 PolarHBondContact NE-OD2 2.87Å; R594-D699 VanDerWaalsContact NH2-CG 3.3Å; R594-D699 IonicContact NH2-OD1 3.27Å; R594-D699 PolarHBondContact NH2-OD1 3.38Å; R594-D699 IonicContact NH2-OD2 3.88Å; R594-D699 PolarHBondContact NH2-OD2 2.98Å; R594-T701 WeakPolarHBondContact CA-OG1 3.42Å; R594-T701 VanDerWaalsContact CZ-OG1 3.31Å; R594-T701 PolarHBondContact NE-OG1 2.8Å; R594-T701 PolarHBondContact NH2-OG1 2.78Å; R594-D702 IonicContact NH2-OD2 3.15Å
595	R	96.3	Very high	94.1	Very high	51 Å²	51	43.1 Å²	43.1	19%	0.192	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	115.3	173.4	-176	164.7	-74.5	178.2	-7.2	109.7	D565 I700 T701 Y736 G738	D565-R595 WeakPolarHBondContact OD1-CA 3.32Å; D565-R595 VanDerWaalsContact OD1-CB 3.29Å; D565-R595 WeakPolarHBondContact OD1-CB 3.43Å; D565-R595 WeakPolarHBondContact OD1-CG 3.48Å; D565-R595 IonicContact OD1-CZ 3.35Å; D565-R595 IonicContact OD1-NE 3.47Å; D565-R595 PolarHBondContact OD1-NE 3.02Å; D565-R595 IonicContact OD1-NH2 3.68Å; D565-R595 PolarHBondContact OD1-NH2 2.97Å; D565-R595 IonicContact OD2-CZ 2.97Å; D565-R595 IonicContact OD2-NE 3.6Å; D565-R595 IonicContact OD2-NH2 2.74Å; D565-R595 PolarHBondContact OD2-NH2 3.01Å; R595-I700 HydrophobicContact CB-CG1 4.27Å; R595-I700 HydrophobicContact CG-CD1 4.05Å; R595-I700 HydrophobicContact CG-CG1 3.74Å; R595-I700 WeakPolarHBondContact O-CG1 3.4Å; R595-I700 PolarHBondContact O-N 3.48Å; R595-T701 PolarHBondContact N-OG1 2.77Å; R595-T701 PolarHBondContact O-N 2.94Å; R595-Y736 WeakPolarHBondContact CD-OH 3.24Å; R595-Y736 PolarHBondContact NH1-OH 2.83Å; R595-G738 PolarHBondContact NH1-O 2.67Å
596	L	96.1	Very high	94.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	124.1	-171.8	-52	179.6	0	0	0	109.5	L563 E564 R566 L571 L580 R594 R598 W697 D699	L563-L596 WeakPolarHBondContact CA-O 3.31Å; E564-L596 PolarHBondContact N-O 3.46Å; E564-L596 PolarHBondContact O-N 3.1Å; R566-L596 HydrophobicContact CB-CD1 4.03Å; L571-L596 HydrophobicContact CD1-CD1 4.44Å; L571-L596 HydrophobicContact CD2-CD1 4.06Å; L580-L596 HydrophobicContact CD2-CD2 4.09Å; R594-L596 HydrophobicContact CB-CD2 3.9Å; R594-L596 HydrophobicContact CB-CG 4.42Å; L596-R598 PolarHBondContact O-N 1.97Å; L596-W697 HydrophobicContact CB-CB 4.09Å; L596-W697 HydrophobicContact CB-CD2 4.35Å; L596-W697 HydrophobicContact CB-CG 4.06Å; L596-W697 HydrophobicContact CD1-CD2 3.87Å; L596-W697 HydrophobicContact CD1-CE3 4.03Å; L596-W697 HydrophobicContact CD1-CG 4.38Å; L596-W697 HydrophobicContact CD1-CH2 4.19Å; L596-W697 HydrophobicContact CD1-CZ2 4.06Å; L596-W697 HydrophobicContact CD1-CZ3 4.19Å; L596-W697 HydrophobicContact CD2-CD2 4.28Å; L596-W697 HydrophobicContact CD2-CG 4.14Å; L596-W697 HydrophobicContact CG-CD2 4.39Å; L596-W697 HydrophobicContact CG-CG 4.41Å; L596-D699 HydrophobicContact CD2-CB 4.14Å
597	L	97	Very high	94.7	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	99.2	168.6	173.5	59.3	0	0	0	108.7	T561 L563 L640 W697 I698 I700 F710 I741 M743	T561-L597 HydrophobicContact CG2-CD1 3.46Å; T561-L597 VanDerWaalsContact CG2-CD1 3.46Å; L563-L597 HydrophobicContact CD2-CB 4.19Å; L563-L597 HydrophobicContact CD2-CD1 3.88Å; L597-L640 HydrophobicContact CD2-CD1 4.49Å; L597-W697 CarbonylContact O-C 3.57Å; L597-W697 WeakPolarHBondContact O-CA 3.38Å; L597-W697 VanDerWaalsContact O-CB 3.22Å; L597-W697 WeakPolarHBondContact O-CB 3.44Å; L597-I698 HydrophobicContact CB-CB 4.44Å; L597-I698 WeakPolarHBondContact CB-O 3.49Å; L597-I698 PolarHBondContact N-O 3.22Å; L597-I698 PolarHBondContact O-N 3.42Å; L597-I700 HydrophobicContact CB-CD1 4.26Å; L597-I700 HydrophobicContact CB-CG1 4.33Å; L597-I700 HydrophobicContact CB-CG2 3.94Å; L597-I700 HydrophobicContact CD2-CG2 4.4Å; L597-F710 HydrophobicContact CD2-CD2 4.1Å; L597-F710 HydrophobicContact CD2-CE2 4.27Å; L597-I741 HydrophobicContact CD1-CD1 3.69Å; L597-I741 HydrophobicContact CD1-CG2 3.75Å; L597-I741 HydrophobicContact CD2-CD1 3.86Å; L597-I741 HydrophobicContact CG-CD1 4.37Å; L597-M743 HydrophobicContact CD1-CE 4.21Å; L597-M743 HydrophobicContact CD2-CE 3.76Å; L597-M743 HydrophobicContact CG-CE 4.5Å
598	R	96.2	Very high	94.8	Very high	3 Å²	3	30.4 Å²	30.4	1%	0.011	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	151	-178.9	-71.6	-178.9	175.4	-78.7	-6	111.7	T561 Y562 E564 L596 H691 I693 W697	T561-R598 VanDerWaalsContact CA-O 3.23Å; T561-R598 WeakPolarHBondContact CA-O 3.19Å; Y562-R598 HydrophobicContact CD1-CB 4.39Å; Y562-R598 HydrophobicContact CD2-CB 4.47Å; Y562-R598 HydrophobicContact CE1-CB 4Å; Y562-R598 HydrophobicContact CE2-CB 4.1Å; Y562-R598 HydrophobicContact CE2-CG 4.39Å; Y562-R598 VanDerWaalsContact CZ-CD 3.49Å; Y562-R598 PolarHBondContact N-O 2.9Å; Y562-R598 PolarHBondContact O-N 3.15Å; Y562-R598 WeakPolarHBondContact OH-CD 3.36Å; E564-R598 IonicContact OE2-CZ 3.76Å; E564-R598 IonicContact OE2-NE 3.94Å; E564-R598 PolarHBondContact OE2-NE 2.97Å; E564-R598 IonicContact OE2-NH2 2.92Å; E564-R598 PolarHBondContact OE2-NH2 3.26Å; L596-R598 PolarHBondContact O-N 1.97Å; R598-H691 WeakPolarHBondContact CD-O 3.46Å; R598-H691 PolarHBondContact NH1-O 2.83Å; R598-I693 PolarHBondContact NH1-O 3.18Å; R598-W697 HydrophobicContact CG-CB 4.07Å; R598-W697 VanDerWaalsContact CZ-CZ3 3.46Å; R598-W697 VanDerWaalsContact NH2-CE3 3.35Å
599	F	96.6	Very high	95	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.152	C	C	.	.			trans	-163.1	160.1	176.3	58.6	-82.8	0	0	0	109.1	V557 S601 Y638 H691 Q696 I698 F710 V712	V557-F599 HydrophobicContact CG1-CB 4.21Å; V557-F599 HydrophobicContact CG1-CD2 4.27Å; V557-F599 HydrophobicContact CG1-CG 4.45Å; F599-S601 WeakPolarHBondContact CE2-OG 3.46Å; F599-Y638 HydrophobicContact CE1-CD2 4.45Å; F599-Y638 HydrophobicContact CE2-CD1 4.24Å; F599-Y638 HydrophobicContact CE2-CE1 4.02Å; F599-Y638 HydrophobicContact CE2-CE2 4.45Å; F599-Y638 AromaticContact CZ-CD1 3.78Å; F599-Y638 HydrophobicContact CZ-CD1 3.78Å; F599-Y638 AromaticContact CZ-CD2 3.72Å; F599-Y638 HydrophobicContact CZ-CD2 3.72Å; F599-Y638 AromaticContact CZ-CE1 3.91Å; F599-Y638 HydrophobicContact CZ-CE1 3.91Å; F599-Y638 AromaticContact CZ-CE2 3.85Å; F599-Y638 HydrophobicContact CZ-CE2 3.85Å; F599-Y638 AromaticContact CZ-CG 3.67Å; F599-Y638 HydrophobicContact CZ-CG 3.67Å; F599-Y638 AromaticContact CZ-CZ 3.94Å; F599-H691 WeakPolarHBondContact O-CA 3.49Å; F599-Q696 WeakPolarHBondContact O-CG 3.48Å; F599-I698 HydrophobicContact CE1-CG1 4.45Å; F599-F710 HydrophobicContact CD1-CE2 4.07Å; F599-F710 AromaticContact CD1-CZ 3.66Å; F599-F710 HydrophobicContact CD1-CZ 3.66Å; F599-F710 HydrophobicContact CD2-CZ 4.04Å; F599-F710 AromaticContact CE1-CE2 3.81Å; F599-F710 HydrophobicContact CE1-CE2 3.81Å; F599-F710 AromaticContact CE1-CZ 3.51Å; F599-F710 HydrophobicContact CE1-CZ 3.51Å; F599-F710 AromaticContact CE2-CZ 3.89Å; F599-F710 HydrophobicContact CE2-CZ 3.89Å; F599-F710 AromaticContact CG-CZ 3.94Å; F599-F710 HydrophobicContact CG-CZ 3.94Å; F599-F710 HydrophobicContact CZ-CE2 4.25Å; F599-F710 AromaticContact CZ-CZ 3.64Å; F599-F710 HydrophobicContact CZ-CZ 3.64Å; F599-V712 HydrophobicContact CE2-CG2 4.09Å; F599-V712 HydrophobicContact CZ-CG2 4.39Å
600	S	95.9	Very high	95.5	Very high	4 Å²	4	26.6 Å²	26.6	3%	0.028	14%	0.14	C	C	.	.			trans	-93.7	143.7	171.8	-49.5	0	0	0	0	110.6	V557 T560 Y689 H691	V557-S600 WeakPolarHBondContact CG2-O 3.43Å; T560-S600 WeakPolarHBondContact OG1-CB 3.1Å; T560-S600 PolarHBondContact OG1-N 3.23Å; T560-S600 PolarHBondContact OG1-OG 3.42Å; S600-Y689 CarbonylContact C-O 3.52Å; S600-Y689 VanDerWaalsContact CA-O 3.29Å; S600-Y689 WeakPolarHBondContact CA-O 3.42Å; S600-H691 WeakPolarHBondContact OG-CB 3.27Å; S600-H691 PolarHBondContact OG-CD2 3.28Å; S600-H691 VanDerWaalsContact OG-CD2 3.27Å; S600-H691 PolarHBondContact OG-N 3.28Å
601	S	95.1	Very high	96	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	111.4	170.6	-65	0	0	0	0	109.1	F599 Y638 Y689 Q696	F599-S601 WeakPolarHBondContact CE2-OG 3.46Å; S601-Y638 PolarHBondContact OG-OH 3.17Å; S601-Y689 PolarHBondContact N-O 3.19Å; S601-Y689 PolarHBondContact O-N 3.17Å; S601-Q696 PolarHBondContact OG-NE2 3.15Å
602	Q	96.5	Very high	96.3	Very high	15 Å²	15	21.9 Å²	21.9	7%	0.07	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	114.5	171.2	-174.8	179	17.4	0	0	108	L552 N553 M556 W686 D687 M688	L552-Q602 CarbonylContact C-O 3.36Å; L552-Q602 WeakPolarHBondContact CA-O 3.37Å; N553-Q602 HydrophobicContact CB-CB 3.89Å; N553-Q602 HydrophobicContact CB-CG 4.3Å; N553-Q602 PolarHBondContact N-O 3.43Å; N553-Q602 PolarHBondContact ND2-OE1 3.18Å; M556-Q602 HydrophobicContact CG-CB 4.38Å; Q602-W686 HydrophobicContact CG-CB 4.07Å; Q602-W686 HydrophobicContact CG-CG 3.89Å; Q602-W686 VanDerWaalsContact NE2-CE2 3.31Å; Q602-D687 WeakPolarHBondContact CA-O 3.31Å; Q602-M688 HydrophobicContact CB-CE 3.52Å; Q602-M688 HydrophobicContact CB-SD 3.91Å; Q602-M688 VanDerWaalsContact CD-CE 3.47Å; Q602-M688 HydrophobicContact CG-CE 3.6Å; Q602-M688 HydrophobicContact CG-SD 4.42Å
603	I	97.4	Very high	96.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	112.1	-177.1	-59	88.3	0	0	0	108.1	L550 L552 F635 I681 W686 D687 I714	L550-I603 HydrophobicContact CB-CG2 3.95Å; L550-I603 HydrophobicContact CD1-CG2 4.29Å; L550-I603 HydrophobicContact CD2-CG2 4.13Å; L550-I603 HydrophobicContact CG-CG2 4.36Å; L552-I603 HydrophobicContact CD1-CD1 4.32Å; L552-I603 HydrophobicContact CD1-CG1 4.01Å; I603-F635 HydrophobicContact CD1-CE1 4.2Å; I603-F635 HydrophobicContact CG1-CE1 4.07Å; I603-F635 HydrophobicContact CG2-CE1 4.44Å; I603-F635 HydrophobicContact CG2-CZ 4.16Å; I603-I681 HydrophobicContact CG2-CD1 4.38Å; I603-W686 CarbonylContact O-C 3.45Å; I603-W686 WeakPolarHBondContact O-CA 3.32Å; I603-W686 VanDerWaalsContact O-CB 3.29Å; I603-W686 WeakPolarHBondContact O-CB 3.22Å; I603-D687 PolarHBondContact N-O 3.24Å; I603-D687 PolarHBondContact O-N 3.29Å; I603-I714 HydrophobicContact CB-CD1 4.45Å; I603-I714 HydrophobicContact CG1-CD1 3.81Å; I603-I714 HydrophobicContact CG1-CG1 4.27Å; I603-I714 HydrophobicContact CG2-CD1 3.95Å; I603-I714 HydrophobicContact CG2-CG2 4.37Å
604	H	98.3	Very high	96.2	Very high	13 Å²	13	21.5 Å²	21.5	6%	0.06	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	146.1	175.5	-69.1	-109.2	0	0	0	110.6	L550 V551 N606 W686	L550-H604 VanDerWaalsContact CA-O 3.25Å; L550-H604 WeakPolarHBondContact CA-O 3.44Å; V551-H604 PolarHBondContact N-O 2.86Å; V551-H604 PolarHBondContact O-N 3.27Å; H604-N606 WeakPolarHBondContact CB-OD1 3.3Å; H604-W686 HydrophobicContact CB-CB 4.4Å; H604-W686 AromaticContact CE1-CD2 3.79Å; H604-W686 AromaticContact CE1-CE3 3.45Å; H604-W686 VanDerWaalsContact CE1-CE3 3.45Å; H604-W686 AromaticContact ND1-CE3 3.56Å
605	N	98.5	Very high	96	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	94.4	161.5	178.9	16.5	0	0	0	110	P548 D549 L550 G607 S609 F611 I681 G684 C685	P548-N605 WeakPolarHBondContact CA-OD1 3.24Å; P548-N605 WeakPolarHBondContact CB-OD1 3.3Å; D549-N605 PolarHBondContact N-OD1 3.44Å; D549-N605 VanDerWaalsContact N-OD1 3.1Å; D549-N605 CarbonylContact O-C 3.55Å; D549-N605 WeakPolarHBondContact O-CA 3.32Å; L550-N605 HydrophobicContact CD2-CB 3.96Å; N605-G607 VanDerWaalsContact C-N 3.3Å; N605-G607 PolarHBondContact OD1-N 3.04Å; N605-S609 PolarHBondContact ND2-O 2.77Å; N605-F611 PolarHBondContact ND2-N 2.69Å; N605-I681 HydrophobicContact CB-CB 4.11Å; N605-I681 HydrophobicContact CB-CG2 3.65Å; N605-I681 PolarHBondContact ND2-O 3.47Å; N605-G684 PolarHBondContact O-N 2.76Å; N605-C685 PolarHBondContact N-O 2.91Å
606	N	98.1	Very high	95.7	Very high	5 Å²	5	24.4 Å²	24.4	3%	0.027	13%	0.128	C	C	.	.			trans	-93.7	14.6	-179.3	-74.1	6.8	0	0	0	112.5	G382 Q383 G384 D549 H604	G382-N606 CarbonylContact C-O 2.96Å; G382-N606 WeakPolarHBondContact CA-O 3.24Å; Q383-N606 HydrophobicContact CB-CB 3.91Å; Q383-N606 PolarHBondContact N-O 3.2Å; Q383-N606 WeakPolarHBondContact O-CB 3.5Å; G384-N606 PolarHBondContact O-ND2 2.85Å; D549-N606 PolarHBondContact O-N 3Å; H604-N606 WeakPolarHBondContact CB-OD1 3.3Å
607	G	96.3	Very high	95.6	Very high	2 Å²	2	29.2 Å²	29.2	2%	0.021	15%	0.146	C	C	.	.	S	Bend	trans	-81.6	-151.5	-175.8	0	0	0	0	0	114.2	D549 N605 M683	D549-G607 VanDerWaalsContact CB-CA 3.45Å; N605-G607 VanDerWaalsContact C-N 3.3Å; N605-G607 PolarHBondContact OD1-N 3.04Å; G607-M683 WeakPolarHBondContact O-CG 3.47Å
608	Q	92.9	Very high	95.4	Very high	24 Å²	24	37.1 Å²	37.1	11%	0.112	18%	0.182	C	C	.	.	S	Bend	trans	-114.1	-1.9	-177.3	-59.4	175	3.2	0	0	113.1	G330 L381 T546 A547	G330-Q608 PolarHBondContact O-NE2 3.05Å; L381-Q608 VanDerWaalsContact CA-NE2 3.31Å; L381-Q608 PolarHBondContact O-NE2 2.77Å; T546-Q608 HydrophobicContact CG2-CB 3.86Å; A547-Q608 PolarHBondContact O-N 2.79Å
609	S	95.8	Very high	95.2	Very high	30 Å²	30	39 Å²	39	21%	0.21	20%	0.199	C	C	.	.	S	Bend	trans	-157.6	168.7	178.9	54.8	0	0	0	0	110.2	A547 P548 N605	A547-S609 VanDerWaalsContact CA-OG 3.27Å; A547-S609 WeakPolarHBondContact CA-OG 3.47Å; A547-S609 PolarHBondContact N-OG 2.99Å; P548-S609 WeakPolarHBondContact CA-O 3.48Å; P548-S609 WeakPolarHBondContact CB-O 3.25Å; N605-S609 PolarHBondContact ND2-O 2.77Å
610	D	98.2	Very high	95	Very high	53 Å²	53	40 Å²	40	28%	0.283	20%	0.203	S	C	.	.			trans	-65.4	137.9	179.3	-63.1	-2.5	0	0	0	111.7	Y671 I681 T682 M683	D610-Y671 HydrophobicContact CB-CE2 3.94Å; D610-Y671 VanDerWaalsContact OD2-CE2 3.27Å; D610-Y671 WeakPolarHBondContact OD2-CE2 3.49Å; D610-Y671 VanDerWaalsContact OD2-CZ 3.31Å; D610-Y671 PolarHBondContact OD2-OH 3.07Å; D610-I681 WeakPolarHBondContact CA-O 3.23Å; D610-T682 WeakPolarHBondContact OD1-CA 3Å; D610-M683 PolarHBondContact OD1-N 2.72Å
611	F	98.1	Very high	94.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-75.9	130.1	167.7	-174.3	-91.7	0	0	0	109.4	P548 L550 N605 M632 F635 L658 G680 I681 V720 E722	P548-F611 HydrophobicContact CB-CB 3.73Å; P548-F611 HydrophobicContact CB-CD2 4.02Å; P548-F611 HydrophobicContact CB-CG 4.39Å; P548-F611 HydrophobicContact CG-CB 4.09Å; P548-F611 HydrophobicContact CG-CD2 3.68Å; P548-F611 HydrophobicContact CG-CG 4.33Å; L550-F611 HydrophobicContact CD1-CD1 4.17Å; L550-F611 HydrophobicContact CD1-CD2 3.53Å; L550-F611 HydrophobicContact CD1-CE1 4.09Å; L550-F611 HydrophobicContact CD1-CE2 3.42Å; L550-F611 VanDerWaalsContact CD1-CE2 3.42Å; L550-F611 HydrophobicContact CD1-CG 3.91Å; L550-F611 HydrophobicContact CD1-CZ 3.72Å; L550-F611 HydrophobicContact CD2-CB 3.93Å; L550-F611 HydrophobicContact CD2-CD2 3.98Å; L550-F611 HydrophobicContact CD2-CG 3.95Å; L550-F611 HydrophobicContact CG-CD2 3.75Å; L550-F611 HydrophobicContact CG-CE2 4.06Å; L550-F611 HydrophobicContact CG-CG 4.19Å; N605-F611 PolarHBondContact ND2-N 2.69Å; F611-M632 HydrophobicContact CE1-SD 3.66Å; F611-M632 HydrophobicContact CZ-CE 4.47Å; F611-M632 HydrophobicContact CZ-SD 3.79Å; F611-F635 HydrophobicContact CE1-CD2 4.45Å; F611-F635 AromaticContact CE1-CE2 3.74Å; F611-F635 HydrophobicContact CE1-CE2 3.74Å; F611-F635 HydrophobicContact CZ-CD2 4.48Å; F611-F635 AromaticContact CZ-CE2 3.86Å; F611-F635 HydrophobicContact CZ-CE2 3.86Å; F611-L658 HydrophobicContact CD1-CD1 3.97Å; F611-L658 HydrophobicContact CE1-CD1 3.73Å; F611-G680 CarbonylContact O-C 3.54Å; F611-G680 WeakPolarHBondContact O-CA 3.32Å; F611-I681 HydrophobicContact CB-CB 4.28Å; F611-I681 PolarHBondContact N-O 3.3Å; F611-I681 PolarHBondContact O-N 3.3Å; F611-V720 HydrophobicContact CD2-CB 4.47Å; F611-V720 HydrophobicContact CD2-CG1 3.88Å; F611-V720 HydrophobicContact CE1-CG2 4.46Å; F611-V720 HydrophobicContact CE2-CB 3.52Å; F611-V720 HydrophobicContact CE2-CG1 3.39Å; F611-V720 HydrophobicContact CE2-CG2 4.21Å; F611-V720 HydrophobicContact CZ-CB 3.6Å; F611-V720 HydrophobicContact CZ-CG1 3.79Å; F611-V720 HydrophobicContact CZ-CG2 3.77Å; F611-E722 HydrophobicContact CE2-CG 4.37Å
612	R	96	Very high	94.4	Very high	103 Å²	103	49.3 Å²	49.3	39%	0.389	24%	0.243	S	C	.	.			trans	-132.1	141.2	-176.1	-67.3	-63.3	-133.9	135.4	5.3	111.3	Y671 Q679 V720	R612-Y671 PolarHBondContact NE-OH 3.28Å; R612-Y671 PolarHBondContact NH2-OH 3.27Å; R612-Q679 PolarHBondContact NH1-O 3.37Å; R612-V720 WeakPolarHBondContact O-CG1 3.36Å
613	P	94.1	Very high	93.7	Very high	17 Å²	17	49.2 Å²	49.2	11%	0.11	24%	0.243	C	C	.	.			trans	-61.8	142.1	175.4	27.1	-34.4	0	0	0	110.6	N615 W620 M632 L658 Q679	P613-N615 PolarHBondContact O-N 2.85Å; P613-W620 HydrophobicContact CG-CZ2 4.1Å; P613-M632 HydrophobicContact CB-CG 4.18Å; P613-L658 HydrophobicContact CB-CD1 4.32Å; P613-Q679 VanDerWaalsContact CD-O 3.29Å; P613-Q679 WeakPolarHBondContact CD-O 2.96Å
614	K	91.4	Very high	92.9	Very high	127 Å²	127	54.8 Å²	54.8	55%	0.552	27%	0.273	S	S	*	.	S	Bend	trans	-55.8	-38.4	-178.1	177.2	178	176.6	178.3	0	113.2	V720	K614-V720 HydrophobicContact CB-CG2 4.28Å
615	N	91.5	Very high	91.9	Very high	78 Å²	78	56.1 Å²	56.1	42%	0.417	28%	0.283	S	S	.	.	S	Bend	trans	-111.8	148.4	-176.7	-60.5	-45.9	0	0	0	110.8	P613 A619 W620	P613-N615 PolarHBondContact O-N 2.85Å; N615-A619 HydrophobicContact CB-CB 3.52Å; N615-W620 PolarHBondContact O-NE1 3.36Å
616	G	90.4	Very high	91	Very high	38 Å²	38	57.7 Å²	57.7	39%	0.392	29%	0.29	S	S	.	.			trans	-74.1	180	172.1	0	0	0	0	0	113.1	H618 A619 W620	G616-H618 PolarHBondContact O-N 3.13Å; G616-A619 PolarHBondContact O-N 3.18Å; G616-W620 VanDerWaalsContact C-NE1 3.32Å; G616-W620 PolarHBondContact O-NE1 2.71Å
617	R	93.3	Very high	90.4	Very high	101 Å²	101	67 Å²	67	38%	0.381	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-44.4	-27.5	-175.8	-71.2	-178.3	176.7	87.8	-7	116.7	A619 W620 F676 D678	R617-A619 PolarHBondContact O-N 3.46Å; R617-W620 HydrophobicContact CB-CD2 4.45Å; R617-W620 HydrophobicContact CG-CD2 4.25Å; R617-W620 HydrophobicContact CG-CE3 3.97Å; R617-W620 HydrophobicContact CG-CH2 3.67Å; R617-W620 HydrophobicContact CG-CZ2 4.01Å; R617-W620 HydrophobicContact CG-CZ3 3.65Å; R617-W620 PolarHBondContact O-N 3.28Å; R617-F676 HydrophobicContact CB-CE2 3.72Å; R617-F676 HydrophobicContact CB-CZ 3.71Å; R617-F676 HydrophobicContact CG-CD2 4.13Å; R617-F676 HydrophobicContact CG-CE2 3.64Å; R617-F676 HydrophobicContact CG-CZ 4.08Å; R617-F676 PolarHBondContact NE-O 3.32Å; R617-F676 PolarHBondContact NH2-O 3.21Å; R617-D678 IonicContact CZ-OD1 3.25Å; R617-D678 IonicContact CZ-OD2 3.32Å; R617-D678 IonicContact NH1-OD1 2.68Å; R617-D678 PolarHBondContact NH1-OD1 2.98Å; R617-D678 IonicContact NH1-OD2 3.27Å; R617-D678 IonicContact NH2-OD1 2.8Å; R617-D678 PolarHBondContact NH2-OD1 3.29Å; R617-D678 IonicContact NH2-OD2 3.58Å; R617-D678 PolarHBondContact NH2-OD2 3.01Å
618	H	92.4	Very high	90.1	Very high	166 Å²	166	68.9 Å²	68.9	77%	0.769	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-66.4	-21.2	-179.4	66.7	-88.2	0	0	0	114.3	G616	G616-H618 PolarHBondContact O-N 3.13Å
619	A	92.4	Very high	90	Very high	44 Å²	44	70.7 Å²	70.7	36%	0.364	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-103.8	-3.2	179.9	0	0	0	0	0	112.9	N615 G616 R617	N615-A619 HydrophobicContact CB-CB 3.52Å; G616-A619 PolarHBondContact O-N 3.18Å; R617-A619 PolarHBondContact O-N 3.46Å
620	W	93.1	Very high	89.8	Confident	19 Å²	19	69.4 Å²	69.4	7%	0.072	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-77	138	-176.9	-58.7	-1	0	0	0	109.9	P613 N615 G616 R617 Y629 H630 F676 G677 Q679	P613-W620 HydrophobicContact CG-CZ2 4.1Å; N615-W620 PolarHBondContact O-NE1 3.36Å; G616-W620 VanDerWaalsContact C-NE1 3.32Å; G616-W620 PolarHBondContact O-NE1 2.71Å; R617-W620 HydrophobicContact CB-CD2 4.45Å; R617-W620 HydrophobicContact CG-CD2 4.25Å; R617-W620 HydrophobicContact CG-CE3 3.97Å; R617-W620 HydrophobicContact CG-CH2 3.67Å; R617-W620 HydrophobicContact CG-CZ2 4.01Å; R617-W620 HydrophobicContact CG-CZ3 3.65Å; R617-W620 PolarHBondContact O-N 3.28Å; W620-Y629 HydrophobicContact CB-CD1 3.9Å; W620-Y629 HydrophobicContact CB-CG 4.42Å; W620-H630 VanDerWaalsContact CA-O 3.31Å; W620-H630 WeakPolarHBondContact CA-O 3.29Å; W620-H630 WeakPolarHBondContact CB-O 3.35Å; W620-F676 HydrophobicContact CD2-CE2 4.27Å; W620-F676 AromaticContact CE3-CD2 3.81Å; W620-F676 HydrophobicContact CE3-CD2 3.81Å; W620-F676 AromaticContact CE3-CE2 3.47Å; W620-F676 HydrophobicContact CE3-CE2 3.47Å; W620-F676 VanDerWaalsContact CE3-CE2 3.47Å; W620-F676 AromaticContact CZ3-CD2 3.91Å; W620-F676 HydrophobicContact CZ3-CD2 3.91Å; W620-F676 AromaticContact CZ3-CE2 3.94Å; W620-F676 HydrophobicContact CZ3-CE2 3.94Å; W620-G677 VanDerWaalsContact CZ3-O 3.27Å; W620-G677 WeakPolarHBondContact CZ3-O 3.48Å; W620-Q679 HydrophobicContact CE3-CG 4.41Å; W620-Q679 HydrophobicContact CH2-CB 3.99Å; W620-Q679 HydrophobicContact CH2-CG 3.95Å; W620-Q679 HydrophobicContact CZ2-CB 4.33Å; W620-Q679 HydrophobicContact CZ3-CB 4.36Å; W620-Q679 HydrophobicContact CZ3-CG 3.82Å
621	I	90.1	Very high	89.6	Confident	87 Å²	87	67.5 Å²	67.5	45%	0.446	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	126.9	-175.3	-59.8	173.3	0	0	0	107.8	H630	I621-H630 PolarHBondContact N-O 3.01Å; I621-H630 PolarHBondContact O-N 3.15Å
622	W	88.2	Confident	89.2	Confident	113 Å²	113	67.8 Å²	67.8	43%	0.428	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	134.4	173.8	174.9	-96.3	0	0	0	109.8	D624 R627 H628 Y629	W622-D624 PolarHBondContact NE1-OD1 3.04Å; W622-R627 HydrophobicContact CH2-CB 4.38Å; W622-R627 WeakPolarHBondContact CH2-O 3.22Å; W622-R627 HydrophobicContact CZ2-CB 4.19Å; W622-H628 VanDerWaalsContact CZ3-CA 3.44Å; W622-Y629 HydrophobicContact CB-CD1 4.05Å; W622-Y629 HydrophobicContact CB-CE1 3.74Å; W622-Y629 AromaticContact CE3-CD2 3.63Å; W622-Y629 HydrophobicContact CE3-CD2 3.63Å; W622-Y629 AromaticContact CE3-CE2 3.63Å; W622-Y629 HydrophobicContact CE3-CE2 3.63Å; W622-Y629 HydrophobicContact CE3-CG 4.1Å; W622-Y629 HydrophobicContact CZ3-CD2 4.1Å; W622-Y629 HydrophobicContact CZ3-CE2 4.2Å
623	H	82.3	Confident	88.5	Confident	13 Å²	13	69.1 Å²	69.1	6%	0.06	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	109.9	180	-155.3	-105.4	0	0	0	109.8	E577 C625 H626 R627 H628 H630	E577-H623 VanDerWaalsContact CD-ND1 3.31Å; E577-H623 IonicContact OE1-CD2 3.19Å; E577-H623 IonicContact OE1-CE1 3.17Å; E577-H623 PolarHBondContact OE1-CE1 3.42Å; E577-H623 IonicContact OE1-CG 3.8Å; E577-H623 VanDerWaalsContact OE1-CG 3.31Å; E577-H623 IonicContact OE1-ND1 3.81Å; E577-H623 PolarHBondContact OE1-ND1 3.42Å; E577-H623 IonicContact OE1-NE2 2.79Å; E577-H623 PolarHBondContact OE1-NE2 3.48Å; E577-H623 IonicContact OE2-CE1 2.79Å; E577-H623 PolarHBondContact OE2-CE1 2.04Å; E577-H623 IonicContact OE2-ND1 2.7Å; E577-H623 IonicContact OE2-NE2 3.62Å; E577-H623 PolarHBondContact OE2-NE2 2.67Å; H623-C625 VanDerWaalsContact C-N 3.25Å; H623-C625 PolarHBondContact O-N 3.35Å; H623-H626 HydrophobicContact CB-CB 4.45Å; H623-H626 AromaticContact CE1-CD2 3.93Å; H623-H626 AromaticContact CE1-CE1 3.18Å; H623-H626 PolarHBondContact CE1-CE1 3.37Å; H623-H626 AromaticContact CE1-CG 3.73Å; H623-H626 AromaticContact CE1-ND1 3.29Å; H623-H626 PolarHBondContact CE1-ND1 3.48Å; H623-H626 VanDerWaalsContact CE1-ND1 3.29Å; H623-H626 AromaticContact CE1-NE2 3.63Å; H623-H626 AromaticContact ND1-CD2 3.78Å; H623-H626 AromaticContact ND1-CE1 3.63Å; H623-H626 AromaticContact ND1-CG 3.34Å; H623-H626 VanDerWaalsContact ND1-CG 3.34Å; H623-H626 AromaticContact ND1-ND1 3.27Å; H623-H626 PolarHBondContact ND1-ND1 2.73Å; H623-H626 AromaticContact ND1-NE2 3.96Å; H623-H626 PolarHBondContact O-N 3.15Å; H623-R627 WeakPolarHBondContact O-CA 3.24Å; H623-R627 PolarHBondContact O-N 3.03Å; H623-H628 PolarHBondContact N-O 2.82Å; H623-H630 AromaticContact CD2-CE1 3.28Å; H623-H630 PolarHBondContact CD2-CE1 3.4Å; H623-H630 AromaticContact CD2-ND1 3.36Å; H623-H630 PolarHBondContact CD2-ND1 3.03Å; H623-H630 AromaticContact CE1-CE1 3.52Å; H623-H630 AromaticContact CG-CE1 3.32Å; H623-H630 AromaticContact CG-ND1 3.7Å; H623-H630 AromaticContact ND1-CE1 3.59Å; H623-H630 AromaticContact NE2-CE1 3.42Å; H623-H630 PolarHBondContact NE2-CE1 3.2Å; H623-H630 AromaticContact NE2-ND1 3.79Å
624	D	79	Confident	88.2	Confident	118 Å²	118	70.2 Å²	70.2	63%	0.631	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-31.3	-170.9	-78.9	-41.3	0	0	0	113.1	W622 R627	W622-D624 PolarHBondContact NE1-OD1 3.04Å; D624-R627 WeakPolarHBondContact O-CG 3.26Å
625	C	78.8	Confident	88.1	Confident	41 Å²	41	64.2 Å²	64.2	28%	0.277	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-42	179.6	-60.7	0	0	0	0	114.3	C573 E577 H623 R627	C573-C625 WeakPolarHBondContact CA-SG 3.3Å; C573-C625 HydrophobicContact CB-CB 3.98Å; C573-C625 WeakPolarHBondContact CB-SG 3.37Å; C573-C625 WeakPolarHBondContact SG-CB 3.45Å; C573-C625 CovalentContact SG-SG 1.97Å; C573-C625 PolarHBondContact SG-SG 3.18Å; E577-C625 WeakPolarHBondContact OE1-CB 3.01Å; E577-C625 PolarHBondContact OE1-SG 2.89Å; H623-C625 VanDerWaalsContact C-N 3.25Å; H623-C625 PolarHBondContact O-N 3.35Å; C625-R627 VanDerWaalsContact C-N 3.31Å
626	H	78.6	Confident	88.1	Confident	32 Å²	32	60.5 Å²	60.5	15%	0.148	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-14.1	179.4	-58.3	166.7	0	0	0	112	H623 H628 H630	H623-H626 HydrophobicContact CB-CB 4.45Å; H623-H626 AromaticContact CE1-CD2 3.93Å; H623-H626 AromaticContact CE1-CE1 3.18Å; H623-H626 PolarHBondContact CE1-CE1 3.37Å; H623-H626 AromaticContact CE1-CG 3.73Å; H623-H626 AromaticContact CE1-ND1 3.29Å; H623-H626 PolarHBondContact CE1-ND1 3.48Å; H623-H626 VanDerWaalsContact CE1-ND1 3.29Å; H623-H626 AromaticContact CE1-NE2 3.63Å; H623-H626 AromaticContact ND1-CD2 3.78Å; H623-H626 AromaticContact ND1-CE1 3.63Å; H623-H626 AromaticContact ND1-CG 3.34Å; H623-H626 VanDerWaalsContact ND1-CG 3.34Å; H623-H626 AromaticContact ND1-ND1 3.27Å; H623-H626 PolarHBondContact ND1-ND1 2.73Å; H623-H626 AromaticContact ND1-NE2 3.96Å; H623-H626 PolarHBondContact O-N 3.15Å; H626-H628 PolarHBondContact O-N 3.09Å; H626-H628 PolarHBondContact O-ND1 2.98Å; H626-H630 AromaticContact CE1-CE1 3.89Å; H626-H630 AromaticContact CG-NE2 4Å; H626-H630 AromaticContact ND1-CE1 3.23Å; H626-H630 PolarHBondContact ND1-CE1 3.01Å; H626-H630 AromaticContact ND1-NE2 3.11Å; H626-H630 PolarHBondContact ND1-NE2 2.84Å; H626-H630 VanDerWaalsContact ND1-NE2 3.11Å
627	R	86.4	Confident	88.2	Confident	200 Å²	200	60.7 Å²	60.7	76%	0.755	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	38.5	178.6	-57.7	179.3	173.2	-178.2	-1.5	112.9	W622 H623 D624 C625	W622-R627 HydrophobicContact CH2-CB 4.38Å; W622-R627 WeakPolarHBondContact CH2-O 3.22Å; W622-R627 HydrophobicContact CZ2-CB 4.19Å; H623-R627 WeakPolarHBondContact O-CA 3.24Å; H623-R627 PolarHBondContact O-N 3.03Å; D624-R627 WeakPolarHBondContact O-CG 3.26Å; C625-R627 VanDerWaalsContact C-N 3.31Å
628	H	88.7	Confident	88.3	Confident	42 Å²	42	55.9 Å²	55.9	19%	0.194	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	168.9	171.1	55.4	-127.6	0	0	0	110.7	W622 H623 H626 H630 C657 C673	W622-H628 VanDerWaalsContact CZ3-CA 3.44Å; H623-H628 PolarHBondContact N-O 2.82Å; H626-H628 PolarHBondContact O-N 3.09Å; H626-H628 PolarHBondContact O-ND1 2.98Å; H628-H630 AromaticContact CD2-CD2 3.34Å; H628-H630 PolarHBondContact CD2-CD2 3.5Å; H628-H630 AromaticContact CD2-NE2 3.44Å; H628-H630 PolarHBondContact CD2-NE2 2.86Å; H628-H630 AromaticContact NE2-CD2 3.43Å; H628-H630 PolarHBondContact NE2-CD2 3.01Å; H628-H630 AromaticContact NE2-NE2 3.14Å; H628-H630 PolarHBondContact NE2-NE2 2.88Å; H628-H630 VanDerWaalsContact NE2-NE2 3.14Å; H628-C657 WeakPolarHBondContact NE2-CB 3.41Å; H628-C673 HydrophobicContact CB-CB 4.35Å
629	Y	91.6	Very high	88.3	Confident	63 Å²	63	48.2 Å²	48.2	25%	0.247	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	144.9	173.7	-81.1	-82.5	0	0	0	111.1	W620 W622 F676 Q679	W620-Y629 HydrophobicContact CB-CD1 3.9Å; W620-Y629 HydrophobicContact CB-CG 4.42Å; W622-Y629 HydrophobicContact CB-CD1 4.05Å; W622-Y629 HydrophobicContact CB-CE1 3.74Å; W622-Y629 AromaticContact CE3-CD2 3.63Å; W622-Y629 HydrophobicContact CE3-CD2 3.63Å; W622-Y629 AromaticContact CE3-CE2 3.63Å; W622-Y629 HydrophobicContact CE3-CE2 3.63Å; W622-Y629 HydrophobicContact CE3-CG 4.1Å; W622-Y629 HydrophobicContact CZ3-CD2 4.1Å; W622-Y629 HydrophobicContact CZ3-CE2 4.2Å; Y629-F676 HydrophobicContact CD1-CE2 4.11Å; Y629-F676 HydrophobicContact CD1-CZ 4.39Å; Y629-F676 HydrophobicContact CD2-CB 4.27Å; Y629-F676 HydrophobicContact CD2-CD1 4.3Å; Y629-F676 AromaticContact CD2-CD2 3.48Å; Y629-F676 HydrophobicContact CD2-CD2 3.48Å; Y629-F676 VanDerWaalsContact CD2-CD2 3.48Å; Y629-F676 AromaticContact CD2-CE2 3.71Å; Y629-F676 HydrophobicContact CD2-CE2 3.71Å; Y629-F676 AromaticContact CD2-CG 3.78Å; Y629-F676 HydrophobicContact CD2-CG 3.78Å; Y629-F676 HydrophobicContact CD2-CZ 4.22Å; Y629-F676 HydrophobicContact CE1-CE2 4.28Å; Y629-F676 HydrophobicContact CE1-CZ 4.11Å; Y629-F676 HydrophobicContact CE2-CB 4.35Å; Y629-F676 AromaticContact CE2-CD1 3.81Å; Y629-F676 HydrophobicContact CE2-CD1 3.81Å; Y629-F676 AromaticContact CE2-CD2 3.83Å; Y629-F676 HydrophobicContact CE2-CD2 3.83Å; Y629-F676 AromaticContact CE2-CE1 3.91Å; Y629-F676 HydrophobicContact CE2-CE1 3.91Å; Y629-F676 AromaticContact CE2-CE2 3.91Å; Y629-F676 HydrophobicContact CE2-CE2 3.91Å; Y629-F676 AromaticContact CE2-CG 3.75Å; Y629-F676 HydrophobicContact CE2-CG 3.75Å; Y629-F676 AromaticContact CE2-CZ 3.94Å; Y629-F676 HydrophobicContact CE2-CZ 3.94Å; Y629-F676 AromaticContact CG-CD2 3.95Å; Y629-F676 HydrophobicContact CG-CD2 3.95Å; Y629-F676 AromaticContact CG-CE2 3.83Å; Y629-F676 HydrophobicContact CG-CE2 3.83Å; Y629-F676 HydrophobicContact CG-CZ 4.44Å; Y629-F676 AromaticContact CZ-CE1 3.98Å; Y629-F676 AromaticContact CZ-CZ 3.88Å; Y629-Q679 PolarHBondContact O-NE2 3.23Å
630	H	91.3	Very high	88.4	Confident	3 Å²	3	46.3 Å²	46.3	1%	0.014	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	129	166.3	-62.2	166.3	0	0	0	110.3	W620 I621 H623 H626 H628 S655 F656 C657	W620-H630 VanDerWaalsContact CA-O 3.31Å; W620-H630 WeakPolarHBondContact CA-O 3.29Å; W620-H630 WeakPolarHBondContact CB-O 3.35Å; I621-H630 PolarHBondContact N-O 3.01Å; I621-H630 PolarHBondContact O-N 3.15Å; H623-H630 AromaticContact CD2-CE1 3.28Å; H623-H630 PolarHBondContact CD2-CE1 3.4Å; H623-H630 AromaticContact CD2-ND1 3.36Å; H623-H630 PolarHBondContact CD2-ND1 3.03Å; H623-H630 AromaticContact CE1-CE1 3.52Å; H623-H630 AromaticContact CG-CE1 3.32Å; H623-H630 AromaticContact CG-ND1 3.7Å; H623-H630 AromaticContact ND1-CE1 3.59Å; H623-H630 AromaticContact NE2-CE1 3.42Å; H623-H630 PolarHBondContact NE2-CE1 3.2Å; H623-H630 AromaticContact NE2-ND1 3.79Å; H626-H630 AromaticContact CE1-CE1 3.89Å; H626-H630 AromaticContact CG-NE2 4Å; H626-H630 AromaticContact ND1-CE1 3.23Å; H626-H630 PolarHBondContact ND1-CE1 3.01Å; H626-H630 AromaticContact ND1-NE2 3.11Å; H626-H630 PolarHBondContact ND1-NE2 2.84Å; H626-H630 VanDerWaalsContact ND1-NE2 3.11Å; H628-H630 AromaticContact CD2-CD2 3.34Å; H628-H630 PolarHBondContact CD2-CD2 3.5Å; H628-H630 AromaticContact CD2-NE2 3.44Å; H628-H630 PolarHBondContact CD2-NE2 2.86Å; H628-H630 AromaticContact NE2-CD2 3.43Å; H628-H630 PolarHBondContact NE2-CD2 3.01Å; H628-H630 AromaticContact NE2-NE2 3.14Å; H628-H630 PolarHBondContact NE2-NE2 2.88Å; H628-H630 VanDerWaalsContact NE2-NE2 3.14Å; H630-S655 VanDerWaalsContact CB-CB 3.46Å; H630-S655 PolarHBondContact CE1-O 3.44Å; H630-S655 WeakPolarHBondContact ND1-CB 3.4Å; H630-S655 PolarHBondContact ND1-O 3.47Å; H630-S655 PolarHBondContact ND1-OG 2.85Å; H630-F656 CarbonylContact C-O 3.57Å; H630-F656 WeakPolarHBondContact CA-O 3.45Å; H630-F656 WeakPolarHBondContact CB-O 2.68Å; H630-C657 PolarHBondContact CD2-N 2.79Å; H630-C657 VanDerWaalsContact CD2-N 3.28Å
631	S	93	Very high	88.5	Confident	12 Å²	12	46 Å²	46	8%	0.084	21%	0.214	C	C	.	.	S	Bend	trans	-95.7	-13.1	-175.1	61.4	0	0	0	0	114.1	F656 Q679	S631-F656 PolarHBondContact N-O 3.06Å; S631-Q679 PolarHBondContact OG-OE1 3.11Å
632	M	89.9	Confident	88.6	Confident	7 Å²	7	43.8 Å²	43.8	3%	0.034	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-129.6	130.1	172	-72.3	-169.7	62.9	0	0	110.7	F611 P613 F635 S655 F656 L658 E719 V720	F611-M632 HydrophobicContact CE1-SD 3.66Å; F611-M632 HydrophobicContact CZ-CE 4.47Å; F611-M632 HydrophobicContact CZ-SD 3.79Å; P613-M632 HydrophobicContact CB-CG 4.18Å; M632-F635 HydrophobicContact CB-CB 4.34Å; M632-F635 HydrophobicContact CE-CD2 3.94Å; M632-F635 HydrophobicContact SD-CD2 3.8Å; M632-F635 HydrophobicContact SD-CE2 4.34Å; M632-S655 VanDerWaalsContact O-CA 3.27Å; M632-S655 WeakPolarHBondContact O-CA 3.23Å; M632-S655 VanDerWaalsContact O-CB 3.26Å; M632-S655 WeakPolarHBondContact O-CB 2.87Å; M632-F656 PolarHBondContact O-N 2.96Å; M632-L658 HydrophobicContact CG-CD1 4.15Å; M632-L658 HydrophobicContact SD-CD1 4.01Å; M632-E719 HydrophobicContact CE-CB 4.45Å; M632-V720 HydrophobicContact CE-CG2 4.23Å; M632-V720 HydrophobicContact SD-CG2 4.13Å
633	E	83	Confident	88.6	Confident	130 Å²	130	42.2 Å²	42.2	61%	0.607	20%	0.202	S	C	*	.	S	Bend	trans	-75.6	-49.3	179	-167.9	176	-178.6	0	0	110.9	A654 S655	E633-A654 CarbonylContact O-C 3.49Å; E633-S655 WeakPolarHBondContact O-CA 3.16Å
634	V	87.4	Confident	88.9	Confident	41 Å²	41	48.4 Å²	48.4	25%	0.248	24%	0.236	C	C	.	.			trans	-118.3	91.1	178.7	-174.4	0	0	0	0	110	H637 P716	V634-H637 VanDerWaalsContact CG1-CE1 3.44Å; V634-H637 WeakPolarHBondContact CG1-CE1 3.19Å; V634-P716 HydrophobicContact CG1-CG 3.99Å
635	F	89.7	Confident	89.3	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.228	C	C	.	.			trans	-97.4	-32.5	176.1	-174	-120.7	0	0	0	112.9	L550 I603 F611 M632 F656 L658 I681 I714 N715 P716	L550-F635 HydrophobicContact CD1-CE2 3.54Å; L550-F635 HydrophobicContact CD1-CZ 3.64Å; I603-F635 HydrophobicContact CD1-CE1 4.2Å; I603-F635 HydrophobicContact CG1-CE1 4.07Å; I603-F635 HydrophobicContact CG2-CE1 4.44Å; I603-F635 HydrophobicContact CG2-CZ 4.16Å; F611-F635 HydrophobicContact CE1-CD2 4.45Å; F611-F635 AromaticContact CE1-CE2 3.74Å; F611-F635 HydrophobicContact CE1-CE2 3.74Å; F611-F635 HydrophobicContact CZ-CD2 4.48Å; F611-F635 AromaticContact CZ-CE2 3.86Å; F611-F635 HydrophobicContact CZ-CE2 3.86Å; M632-F635 HydrophobicContact CB-CB 4.34Å; M632-F635 HydrophobicContact CE-CD2 3.94Å; M632-F635 HydrophobicContact SD-CD2 3.8Å; M632-F635 HydrophobicContact SD-CE2 4.34Å; F635-F656 HydrophobicContact CB-CB 4.02Å; F635-F656 HydrophobicContact CB-CD2 3.36Å; F635-F656 HydrophobicContact CB-CE2 3.73Å; F635-F656 HydrophobicContact CB-CG 3.75Å; F635-F656 HydrophobicContact CD1-CB 4.11Å; F635-F656 AromaticContact CD1-CD1 3.5Å; F635-F656 HydrophobicContact CD1-CD1 3.5Å; F635-F656 VanDerWaalsContact CD1-CD1 3.5Å; F635-F656 AromaticContact CD1-CD2 3.86Å; F635-F656 HydrophobicContact CD1-CD2 3.86Å; F635-F656 AromaticContact CD1-CE1 3.72Å; F635-F656 HydrophobicContact CD1-CE1 3.72Å; F635-F656 AromaticContact CD1-CE2 3.94Å; F635-F656 HydrophobicContact CD1-CE2 3.94Å; F635-F656 AromaticContact CD1-CG 3.57Å; F635-F656 HydrophobicContact CD1-CG 3.57Å; F635-F656 AromaticContact CD1-CZ 3.91Å; F635-F656 HydrophobicContact CD1-CZ 3.91Å; F635-F656 HydrophobicContact CE1-CD1 4.13Å; F635-F656 HydrophobicContact CE1-CE1 4.33Å; F635-F656 HydrophobicContact CG-CB 4.28Å; F635-F656 HydrophobicContact CG-CD1 4.4Å; F635-F656 HydrophobicContact CG-CD2 4.07Å; F635-F656 HydrophobicContact CG-CE2 4.35Å; F635-F656 HydrophobicContact CG-CG 4.03Å; F635-L658 HydrophobicContact CD1-CD2 4.38Å; F635-L658 HydrophobicContact CD2-CD2 4.32Å; F635-L658 HydrophobicContact CE1-CD2 4.04Å; F635-L658 HydrophobicContact CE2-CD2 3.98Å; F635-L658 HydrophobicContact CZ-CD2 3.82Å; F635-I681 HydrophobicContact CZ-CD1 4.44Å; F635-I714 HydrophobicContact CE1-CG2 4.42Å; F635-I714 HydrophobicContact CE2-CG2 4.11Å; F635-I714 HydrophobicContact CZ-CG2 3.99Å; F635-I714 CarbonylContact O-C 3.55Å; F635-N715 PolarHBondContact O-N 2.89Å; F635-P716 WeakPolarHBondContact O-CD 3.2Å
636	T	91.4	Very high	89.9	Confident	1 Å²	1	46.7 Å²	46.7	1%	0.006	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	146.4	178.8	63.6	0	0	0	0	113.2	Y638 F656 V713 I714	T636-Y638 HydrophobicContact CG2-CE1 4.13Å; T636-Y638 WeakPolarHBondContact OG1-CE1 3.37Å; T636-Y638 VanDerWaalsContact OG1-CZ 3.26Å; T636-Y638 PolarHBondContact OG1-OH 3.44Å; T636-F656 HydrophobicContact CG2-CE1 4.33Å; T636-F656 HydrophobicContact CG2-CE2 3.96Å; T636-F656 HydrophobicContact CG2-CZ 3.56Å; T636-F656 VanDerWaalsContact OG1-CE2 3.23Å; T636-F656 WeakPolarHBondContact OG1-CE2 3.44Å; T636-F656 WeakPolarHBondContact OG1-CZ 3.13Å; T636-V713 CarbonylContact C-O 3.54Å; T636-V713 WeakPolarHBondContact CA-O 3.46Å; T636-I714 HydrophobicContact CG2-CG1 4.23Å
637	H	92.3	Very high	90.6	Very high	41 Å²	41	50 Å²	50	19%	0.19	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	130.3	161.8	-69.1	-32.4	0	0	0	110.6	V634 H652 V712 V713 P716	V634-H637 VanDerWaalsContact CG1-CE1 3.44Å; V634-H637 WeakPolarHBondContact CG1-CE1 3.19Å; H637-H652 AromaticContact CE1-CE1 3.94Å; H637-H652 AromaticContact ND1-CE1 3.31Å; H637-H652 PolarHBondContact ND1-CE1 3.37Å; H637-H652 VanDerWaalsContact ND1-CE1 3.31Å; H637-H652 AromaticContact ND1-ND1 3.3Å; H637-H652 PolarHBondContact ND1-ND1 3.15Å; H637-V712 WeakPolarHBondContact O-CA 3.16Å; H637-V713 HydrophobicContact CB-CB 4.41Å; H637-V713 PolarHBondContact N-O 2.78Å; H637-V713 PolarHBondContact O-N 2.9Å; H637-P716 WeakPolarHBondContact CD2-CB 3.41Å; H637-P716 VanDerWaalsContact CD2-CG 3.48Å; H637-P716 WeakPolarHBondContact CD2-CG 3.46Å
638	Y	93.8	Very high	91	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	105.5	175.1	-53.9	-32.2	0	0	0	109.3	F599 S601 T636 G651 K653 Q696 I698 V712	F599-Y638 HydrophobicContact CE1-CD2 4.45Å; F599-Y638 HydrophobicContact CE2-CD1 4.24Å; F599-Y638 HydrophobicContact CE2-CE1 4.02Å; F599-Y638 HydrophobicContact CE2-CE2 4.45Å; F599-Y638 AromaticContact CZ-CD1 3.78Å; F599-Y638 HydrophobicContact CZ-CD1 3.78Å; F599-Y638 AromaticContact CZ-CD2 3.72Å; F599-Y638 HydrophobicContact CZ-CD2 3.72Å; F599-Y638 AromaticContact CZ-CE1 3.91Å; F599-Y638 HydrophobicContact CZ-CE1 3.91Å; F599-Y638 AromaticContact CZ-CE2 3.85Å; F599-Y638 HydrophobicContact CZ-CE2 3.85Å; F599-Y638 AromaticContact CZ-CG 3.67Å; F599-Y638 HydrophobicContact CZ-CG 3.67Å; F599-Y638 AromaticContact CZ-CZ 3.94Å; S601-Y638 PolarHBondContact OG-OH 3.17Å; T636-Y638 HydrophobicContact CG2-CE1 4.13Å; T636-Y638 WeakPolarHBondContact OG1-CE1 3.37Å; T636-Y638 VanDerWaalsContact OG1-CZ 3.26Å; T636-Y638 PolarHBondContact OG1-OH 3.44Å; Y638-G651 CarbonylContact C-O 3.41Å; Y638-G651 WeakPolarHBondContact CB-O 3.27Å; Y638-G651 PolarHBondContact N-O 3.02Å; Y638-G651 PolarHBondContact O-N 2.88Å; Y638-K653 HydrophobicContact CE2-CB 3.81Å; Y638-Q696 PolarHBondContact OH-NE2 3.23Å; Y638-Q696 VanDerWaalsContact OH-NE2 3.14Å; Y638-I698 WeakPolarHBondContact O-CD1 3.41Å; Y638-V712 HydrophobicContact CD1-CB 4.38Å; Y638-V712 HydrophobicContact CD1-CG1 3.86Å; Y638-V712 HydrophobicContact CD1-CG2 3.93Å; Y638-V712 HydrophobicContact CE1-CG1 3.78Å; Y638-V712 HydrophobicContact CE1-CG2 4.34Å
639	D	93.1	Very high	91.2	Very high	6 Å²	6	41.9 Å²	41.9	3%	0.032	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	134.2	-172.6	-70.3	-46.5	0	0	0	111.3	L641 K647 Q711	D639-L641 HydrophobicContact CB-CD2 3.82Å; D639-L641 HydrophobicContact CB-CG 4.24Å; D639-K647 VanDerWaalsContact CG-NZ 3.31Å; D639-K647 WeakPolarHBondContact OD1-CD 3.07Å; D639-K647 WeakPolarHBondContact OD1-CE 3.27Å; D639-K647 IonicContact OD1-NZ 3.73Å; D639-K647 PolarHBondContact OD1-NZ 3.33Å; D639-K647 WeakPolarHBondContact OD2-CE 3.35Å; D639-K647 IonicContact OD2-NZ 3.6Å; D639-K647 PolarHBondContact OD2-NZ 2.83Å; D639-K647 VanDerWaalsContact OD2-NZ 3.16Å; D639-Q711 HydrophobicContact CB-CB 4.36Å; D639-Q711 PolarHBondContact N-O 2.86Å; D639-Q711 PolarHBondContact O-N 3.26Å
640	L	95.8	Very high	90.9	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.016	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	110.4	162.9	-166.4	72.9	0	0	0	108.2	L597 V648 A649 I698 I700 V703 Y708 F710	L597-L640 HydrophobicContact CD2-CD1 4.49Å; L640-V648 PolarHBondContact O-N 3.28Å; L640-A649 HydrophobicContact CB-CB 4.17Å; L640-A649 PolarHBondContact N-O 3.24Å; L640-A649 PolarHBondContact O-N 3.43Å; L640-A649 VanDerWaalsContact O-N 3.12Å; L640-I698 HydrophobicContact CB-CD1 4.19Å; L640-I700 HydrophobicContact CD2-CG2 4.04Å; L640-V703 HydrophobicContact CD2-CG1 4.03Å; L640-V703 HydrophobicContact CD2-CG2 4.41Å; L640-Y708 HydrophobicContact CD1-CG 4.4Å; L640-Y708 HydrophobicContact CD2-CD2 4.44Å; L640-Y708 HydrophobicContact CD2-CG 4.21Å; L640-Y708 HydrophobicContact CG-CD1 4.43Å; L640-Y708 HydrophobicContact CG-CG 4.18Å; L640-F710 HydrophobicContact CD1-CB 4.2Å; L640-F710 HydrophobicContact CD1-CD2 4.37Å
641	L	94.4	Very high	90.3	Very high	14 Å²	14	43.3 Å²	43.3	7%	0.073	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	152.2	-175.8	-46.9	176.2	0	0	0	110.2	D639 T646 K647 Y708 L709 Q711	D639-L641 HydrophobicContact CB-CD2 3.82Å; D639-L641 HydrophobicContact CB-CG 4.24Å; L641-T646 WeakPolarHBondContact CA-O 3.44Å; L641-K647 HydrophobicContact CD2-CB 4.12Å; L641-K647 HydrophobicContact CD2-CG 3.54Å; L641-Y708 CarbonylContact O-C 3.57Å; L641-Y708 WeakPolarHBondContact O-CA 3.32Å; L641-Y708 WeakPolarHBondContact O-CB 3.21Å; L641-L709 HydrophobicContact CB-CB 4.26Å; L641-L709 PolarHBondContact N-O 2.96Å; L641-L709 PolarHBondContact O-N 2.8Å; L641-Q711 HydrophobicContact CD1-CB 4.32Å
642	N	91.8	Very high	89.1	Confident	39 Å²	39	45.6 Å²	45.6	21%	0.209	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	172.5	161.9	67.5	10.3	0	0	0	110.5	N644 G645 T646 V648	N642-N644 PolarHBondContact O-N 3.15Å; N642-N644 VanDerWaalsContact O-N 3.09Å; N642-N644 WeakPolarHBondContact OD1-CA 3.4Å; N642-N644 WeakPolarHBondContact OD1-CB 3.47Å; N642-N644 PolarHBondContact OD1-N 2.92Å; N642-G645 PolarHBondContact O-N 3.47Å; N642-G645 PolarHBondContact OD1-N 3.37Å; N642-T646 PolarHBondContact N-O 2.89Å; N642-T646 PolarHBondContact ND2-OG1 2.02Å; N642-T646 PolarHBondContact OD1-N 3.05Å; N642-T646 PolarHBondContact OD1-O 3.02Å; N642-T646 PolarHBondContact OD1-OG1 2.97Å; N642-T646 VanDerWaalsContact OD1-OG1 3.06Å; N642-V648 HydrophobicContact CB-CG2 3.78Å
643	L	88.3	Confident	88	Confident	80 Å²	80	45.4 Å²	45.4	42%	0.419	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-14.6	176.8	-60	178.5	0	0	0	113.9	G645 D707 L709	L643-G645 VanDerWaalsContact C-N 3.32Å; L643-D707 HydrophobicContact CD1-CB 4.37Å; L643-L709 HydrophobicContact CD2-CD2 4.19Å; L643-L709 HydrophobicContact CD2-CG 4.17Å
644	N	88.4	Confident	86.7	Confident	144 Å²	144	41 Å²	41	77%	0.77	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-2.7	174	-61.5	-19.5	0	0	0	112.7	N642	N642-N644 PolarHBondContact O-N 3.15Å; N642-N644 VanDerWaalsContact O-N 3.09Å; N642-N644 WeakPolarHBondContact OD1-CA 3.4Å; N642-N644 WeakPolarHBondContact OD1-CB 3.47Å; N642-N644 PolarHBondContact OD1-N 2.92Å
645	G	87.3	Confident	85.8	Confident	44 Å²	44	39.4 Å²	39.4	45%	0.454	22%	0.222	S	C	.	.	S	Bend	trans	83.3	7.8	-179.7	0	0	0	0	0	115.4	N642 L643	N642-G645 PolarHBondContact O-N 3.47Å; N642-G645 PolarHBondContact OD1-N 3.37Å; L643-G645 VanDerWaalsContact C-N 3.32Å
646	T	92.8	Very high	85.5	Confident	79 Å²	79	39.4 Å²	39.4	49%	0.485	22%	0.222	S	C	.	.			trans	-86.9	135.1	175	67.6	0	0	0	0	110.4	L641 N642 V648	L641-T646 WeakPolarHBondContact CA-O 3.44Å; N642-T646 PolarHBondContact N-O 2.89Å; N642-T646 PolarHBondContact ND2-OG1 2.02Å; N642-T646 PolarHBondContact OD1-N 3.05Å; N642-T646 PolarHBondContact OD1-O 3.02Å; N642-T646 PolarHBondContact OD1-OG1 2.97Å; N642-T646 VanDerWaalsContact OD1-OG1 3.06Å; T646-V648 PolarHBondContact O-N 3.29Å
647	K	92.7	Very high	85.5	Confident	101 Å²	101	39.4 Å²	39.4	44%	0.439	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	126.6	175.5	-61.6	-171.9	-179.9	-146.6	0	111.1	D639 L641 E650	D639-K647 VanDerWaalsContact CG-NZ 3.31Å; D639-K647 WeakPolarHBondContact OD1-CD 3.07Å; D639-K647 WeakPolarHBondContact OD1-CE 3.27Å; D639-K647 IonicContact OD1-NZ 3.73Å; D639-K647 PolarHBondContact OD1-NZ 3.33Å; D639-K647 WeakPolarHBondContact OD2-CE 3.35Å; D639-K647 IonicContact OD2-NZ 3.6Å; D639-K647 PolarHBondContact OD2-NZ 2.83Å; D639-K647 VanDerWaalsContact OD2-NZ 3.16Å; L641-K647 HydrophobicContact CD2-CB 4.12Å; L641-K647 HydrophobicContact CD2-CG 3.54Å; K647-E650 IonicContact NZ-OE1 3.68Å; K647-E650 PolarHBondContact NZ-OE1 2.94Å
648	V	94.4	Very high	85.6	Confident	59 Å²	59	37.4 Å²	37.4	36%	0.358	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	-39.3	176.3	-178.6	0	0	0	0	110.3	L640 N642 T646 V703 Y708	L640-V648 PolarHBondContact O-N 3.28Å; N642-V648 HydrophobicContact CB-CG2 3.78Å; T646-V648 PolarHBondContact O-N 3.29Å; V648-V703 HydrophobicContact CG1-CG1 4.11Å; V648-V703 HydrophobicContact CG1-CG2 4.37Å; V648-Y708 HydrophobicContact CB-CE1 4.36Å; V648-Y708 HydrophobicContact CG1-CE1 4.05Å; V648-Y708 HydrophobicContact CG2-CD1 4.3Å; V648-Y708 HydrophobicContact CG2-CE1 4.12Å
649	A	92.1	Very high	85.7	Confident	13 Å²	13	40.2 Å²	40.2	11%	0.107	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	152	165.6	0	0	0	0	0	108.8	L640 I698 V703	L640-A649 HydrophobicContact CB-CB 4.17Å; L640-A649 PolarHBondContact N-O 3.24Å; L640-A649 PolarHBondContact O-N 3.43Å; L640-A649 VanDerWaalsContact O-N 3.12Å; A649-I698 HydrophobicContact CB-CG2 3.74Å; A649-V703 HydrophobicContact CB-CG2 3.63Å
650	E	86.4	Confident	86	Confident	93 Å²	93	40.3 Å²	40.3	44%	0.435	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	125.6	178.3	-178.1	171.1	-143.9	0	0	106.3	K647 H652	K647-E650 IonicContact NZ-OE1 3.68Å; K647-E650 PolarHBondContact NZ-OE1 2.94Å; E650-H652 WeakPolarHBondContact CG-NE2 3.2Å; E650-H652 IonicContact OE1-CE1 2.85Å; E650-H652 PolarHBondContact OE1-CE1 2.8Å; E650-H652 IonicContact OE1-NE2 3.2Å; E650-H652 PolarHBondContact OE1-NE2 3.21Å; E650-H652 IonicContact OE2-NE2 2.71Å
651	G	78.5	Confident	86	Confident	3 Å²	3	42.5 Å²	42.5	3%	0.031	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	152.9	166	0	0	0	0	0	108	Y638	Y638-G651 CarbonylContact C-O 3.41Å; Y638-G651 WeakPolarHBondContact CB-O 3.27Å; Y638-G651 PolarHBondContact N-O 3.02Å; Y638-G651 PolarHBondContact O-N 2.88Å
652	H	68.4	Low	86.1	Confident	60 Å²	60	47.1 Å²	47.1	28%	0.278	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	146.4	168.3	-63.9	-70.4	0	0	0	108.3	H637 E650	H637-H652 AromaticContact CE1-CE1 3.94Å; H637-H652 AromaticContact ND1-CE1 3.31Å; H637-H652 PolarHBondContact ND1-CE1 3.37Å; H637-H652 VanDerWaalsContact ND1-CE1 3.31Å; H637-H652 AromaticContact ND1-ND1 3.3Å; H637-H652 PolarHBondContact ND1-ND1 3.15Å; E650-H652 WeakPolarHBondContact CG-NE2 3.2Å; E650-H652 IonicContact OE1-CE1 2.85Å; E650-H652 PolarHBondContact OE1-CE1 2.8Å; E650-H652 IonicContact OE1-NE2 3.2Å; E650-H652 PolarHBondContact OE1-NE2 3.21Å; E650-H652 IonicContact OE2-NE2 2.71Å
653	K	67.2	Low	86.2	Confident	3 Å²	3	46.1 Å²	46.1	1%	0.013	26%	0.257	C	S	.	.			trans	-89.7	110.3	157	-169	86.3	169.2	-166.1	0	105.3	Y638 S655 F656 Y689 D694 C695	Y638-K653 HydrophobicContact CE2-CB 3.81Å; K653-S655 PolarHBondContact O-N 2.91Å; K653-F656 HydrophobicContact CB-CD2 4.17Å; K653-F656 HydrophobicContact CB-CE2 3.36Å; K653-F656 HydrophobicContact CB-CZ 3.64Å; K653-F656 HydrophobicContact CG-CD2 3.91Å; K653-F656 HydrophobicContact CG-CE1 4.23Å; K653-F656 HydrophobicContact CG-CE2 3.48Å; K653-F656 VanDerWaalsContact CG-CE2 3.48Å; K653-F656 HydrophobicContact CG-CZ 3.63Å; K653-Y689 VanDerWaalsContact CE-CD1 3.44Å; K653-D694 PolarHBondContact NZ-O 2.68Å; K653-C695 HydrophobicContact CD-CB 3.87Å; K653-C695 WeakPolarHBondContact CD-O 3.14Å
654	A	54.3	Low	86.2	Confident	36 Å²	36	45.2 Å²	45.2	30%	0.298	25%	0.251	S	S	.	.			trans	-60.4	-19.6	-167.5	0	0	0	0	0	114.5	E577 E633	E577-A654 VanDerWaalsContact O-CB 3.32Å; E577-A654 WeakPolarHBondContact O-CB 3.15Å; E633-A654 CarbonylContact O-C 3.49Å
655	S	69.5	Low	86.2	Confident	8 Å²	8	41 Å²	41	6%	0.056	24%	0.242	C	C	.	.			trans	-175.3	160.4	172.8	35.3	0	0	0	0	110.7	H630 M632 E633 K653	H630-S655 VanDerWaalsContact CB-CB 3.46Å; H630-S655 PolarHBondContact CE1-O 3.44Å; H630-S655 WeakPolarHBondContact ND1-CB 3.4Å; H630-S655 PolarHBondContact ND1-O 3.47Å; H630-S655 PolarHBondContact ND1-OG 2.85Å; M632-S655 VanDerWaalsContact O-CA 3.27Å; M632-S655 WeakPolarHBondContact O-CA 3.23Å; M632-S655 VanDerWaalsContact O-CB 3.26Å; M632-S655 WeakPolarHBondContact O-CB 2.87Å; E633-S655 WeakPolarHBondContact O-CA 3.16Å; K653-S655 PolarHBondContact O-N 2.91Å
656	F	82.4	Confident	86.2	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-124.6	137.1	-175	-78.2	-110.9	0	0	0	112.8	H630 S631 M632 F635 T636 K653 L658 Y689	H630-F656 CarbonylContact C-O 3.57Å; H630-F656 WeakPolarHBondContact CA-O 3.45Å; H630-F656 WeakPolarHBondContact CB-O 2.68Å; S631-F656 PolarHBondContact N-O 3.06Å; M632-F656 PolarHBondContact O-N 2.96Å; F635-F656 HydrophobicContact CB-CB 4.02Å; F635-F656 HydrophobicContact CB-CD2 3.36Å; F635-F656 HydrophobicContact CB-CE2 3.73Å; F635-F656 HydrophobicContact CB-CG 3.75Å; F635-F656 HydrophobicContact CD1-CB 4.11Å; F635-F656 AromaticContact CD1-CD1 3.5Å; F635-F656 HydrophobicContact CD1-CD1 3.5Å; F635-F656 VanDerWaalsContact CD1-CD1 3.5Å; F635-F656 AromaticContact CD1-CD2 3.86Å; F635-F656 HydrophobicContact CD1-CD2 3.86Å; F635-F656 AromaticContact CD1-CE1 3.72Å; F635-F656 HydrophobicContact CD1-CE1 3.72Å; F635-F656 AromaticContact CD1-CE2 3.94Å; F635-F656 HydrophobicContact CD1-CE2 3.94Å; F635-F656 AromaticContact CD1-CG 3.57Å; F635-F656 HydrophobicContact CD1-CG 3.57Å; F635-F656 AromaticContact CD1-CZ 3.91Å; F635-F656 HydrophobicContact CD1-CZ 3.91Å; F635-F656 HydrophobicContact CE1-CD1 4.13Å; F635-F656 HydrophobicContact CE1-CE1 4.33Å; F635-F656 HydrophobicContact CG-CB 4.28Å; F635-F656 HydrophobicContact CG-CD1 4.4Å; F635-F656 HydrophobicContact CG-CD2 4.07Å; F635-F656 HydrophobicContact CG-CE2 4.35Å; F635-F656 HydrophobicContact CG-CG 4.03Å; T636-F656 HydrophobicContact CG2-CE1 4.33Å; T636-F656 HydrophobicContact CG2-CE2 3.96Å; T636-F656 HydrophobicContact CG2-CZ 3.56Å; T636-F656 VanDerWaalsContact OG1-CE2 3.23Å; T636-F656 WeakPolarHBondContact OG1-CE2 3.44Å; T636-F656 WeakPolarHBondContact OG1-CZ 3.13Å; K653-F656 HydrophobicContact CB-CD2 4.17Å; K653-F656 HydrophobicContact CB-CE2 3.36Å; K653-F656 HydrophobicContact CB-CZ 3.64Å; K653-F656 HydrophobicContact CG-CD2 3.91Å; K653-F656 HydrophobicContact CG-CE1 4.23Å; K653-F656 HydrophobicContact CG-CE2 3.48Å; K653-F656 VanDerWaalsContact CG-CE2 3.48Å; K653-F656 HydrophobicContact CG-CZ 3.63Å; F656-L658 HydrophobicContact CB-CD2 4.4Å; F656-Y689 HydrophobicContact CD1-CD1 4.45Å; F656-Y689 AromaticContact CD1-CD2 3.73Å; F656-Y689 HydrophobicContact CD1-CD2 3.73Å; F656-Y689 HydrophobicContact CD1-CE1 4.11Å; F656-Y689 AromaticContact CD1-CE2 3.34Å; F656-Y689 HydrophobicContact CD1-CE2 3.34Å; F656-Y689 HydrophobicContact CD1-CG 4.25Å; F656-Y689 AromaticContact CD1-CZ 3.52Å; F656-Y689 HydrophobicContact CE1-CD1 4.29Å; F656-Y689 AromaticContact CE1-CD2 3.75Å; F656-Y689 HydrophobicContact CE1-CD2 3.75Å; F656-Y689 HydrophobicContact CE1-CE1 4.37Å; F656-Y689 AromaticContact CE1-CE2 3.87Å; F656-Y689 HydrophobicContact CE1-CE2 3.87Å; F656-Y689 AromaticContact CE1-CG 3.95Å; F656-Y689 HydrophobicContact CE1-CG 3.95Å; F656-Y689 HydrophobicContact CG-CE2 4.37Å
657	C	91.2	Very high	86.1	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.007	25%	0.252	C	S	.	.			trans	-75.3	139	152.5	144.9	0	0	0	0	106.9	H628 H630 C673 D687 Y689	H628-C657 WeakPolarHBondContact NE2-CB 3.41Å; H630-C657 PolarHBondContact CD2-N 2.79Å; H630-C657 VanDerWaalsContact CD2-N 3.28Å; C657-C673 VanDerWaalsContact CA-SG 3.59Å; C657-C673 HydrophobicContact CB-CB 3.81Å; C657-C673 WeakPolarHBondContact CB-SG 3.35Å; C657-C673 WeakPolarHBondContact SG-CB 3.26Å; C657-C673 CovalentContact SG-SG 1.99Å; C657-C673 PolarHBondContact SG-SG 2.88Å; C657-D687 VanDerWaalsContact O-OD2 3.04Å; C657-Y689 WeakPolarHBondContact CA-OH 2.96Å; C657-Y689 WeakPolarHBondContact CB-OH 3.27Å; C657-Y689 PolarHBondContact N-OH 3.16Å; C657-Y689 PolarHBondContact O-OH 3.34Å
658	L	95.3	Very high	86.1	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.269	C	S	.	.			trans	-113.9	112.2	174.9	-59.2	171.4	0	0	0	108	F611 P613 M632 F635 F656 Q679 G680 I681 D687	F611-L658 HydrophobicContact CD1-CD1 3.97Å; F611-L658 HydrophobicContact CE1-CD1 3.73Å; P613-L658 HydrophobicContact CB-CD1 4.32Å; M632-L658 HydrophobicContact CG-CD1 4.15Å; M632-L658 HydrophobicContact SD-CD1 4.01Å; F635-L658 HydrophobicContact CD1-CD2 4.38Å; F635-L658 HydrophobicContact CD2-CD2 4.32Å; F635-L658 HydrophobicContact CE1-CD2 4.04Å; F635-L658 HydrophobicContact CE2-CD2 3.98Å; F635-L658 HydrophobicContact CZ-CD2 3.82Å; F656-L658 HydrophobicContact CB-CD2 4.4Å; L658-Q679 HydrophobicContact CB-CB 4.21Å; L658-Q679 VanDerWaalsContact N-OE1 3.15Å; L658-Q679 CarbonylContact O-C 3.48Å; L658-Q679 VanDerWaalsContact O-CA 3.26Å; L658-Q679 WeakPolarHBondContact O-CA 3.39Å; L658-Q679 WeakPolarHBondContact O-CB 3.44Å; L658-G680 CarbonylContact C-O 3.55Å; L658-G680 PolarHBondContact O-N 2.02Å; L658-I681 HydrophobicContact CB-CG1 4.44Å; L658-I681 HydrophobicContact CD2-CD1 4.32Å; L658-D687 WeakPolarHBondContact CA-OD2 3.34Å
659	E	96.2	Very high	86.2	Confident	58 Å²	58	52.3 Å²	52.3	27%	0.271	28%	0.279	S	S	.	.			trans	-143.8	164	-179.7	67.3	-179.6	-168.7	0	0	113.7	T661 Y671 C673 G680 D687	E659-T661 PolarHBondContact O-N 2.95Å; E659-Y671 WeakPolarHBondContact CB-O 3.5Å; E659-C673 PolarHBondContact OE2-N 2.88Å; E659-C673 VanDerWaalsContact OE2-N 3.09Å; E659-G680 WeakPolarHBondContact CA-O 3.19Å; E659-G680 PolarHBondContact N-O 3.49Å; E659-D687 PolarHBondContact N-OD2 3.11Å; E659-D687 VanDerWaalsContact O-CB 3.31Å; E659-D687 WeakPolarHBondContact O-CB 3.07Å
660	D	97.9	Very high	86.4	Confident	8 Å²	8	56.7 Å²	56.7	4%	0.043	30%	0.301	C	S	.	.			trans	-89.2	97.5	175.1	-58.2	-42.1	0	0	0	109.3	K669 N670 Y671 I681 T682 C685	D660-K669 HydrophobicContact CB-CB 3.87Å; D660-K669 HydrophobicContact CB-CD 4.34Å; D660-K669 HydrophobicContact CB-CG 3.9Å; D660-K669 WeakPolarHBondContact O-CD 3.47Å; D660-N670 WeakPolarHBondContact OD2-CA 3.19Å; D660-N670 PolarHBondContact OD2-N 3.49Å; D660-Y671 PolarHBondContact N-O 2.67Å; D660-Y671 WeakPolarHBondContact OD2-CD2 3.15Å; D660-Y671 PolarHBondContact OD2-N 3.36Å; D660-I681 WeakPolarHBondContact OD1-CA 3.26Å; D660-T682 PolarHBondContact OD1-N 2.76Å; D660-T682 PolarHBondContact OD2-OG1 3.31Å; D660-C685 HydrophobicContact CB-CB 4.21Å
661	T	95.9	Very high	86.9	Confident	49 Å²	49	52.9 Å²	52.9	30%	0.301	28%	0.283	S	S	.	.	S	Bend	trans	-70.3	-46.2	176.9	-58.8	0	0	0	0	110.8	E659 K669 W686 M688	E659-T661 PolarHBondContact O-N 2.95Å; T661-K669 WeakPolarHBondContact O-CD 3.33Å; T661-K669 PolarHBondContact O-NZ 3.15Å; T661-W686 PolarHBondContact N-O 3.28Å; T661-M688 HydrophobicContact CG2-CB 3.98Å; T661-M688 PolarHBondContact OG1-N 3.34Å; T661-M688 VanDerWaalsContact OG1-N 3.09Å
662	E	96.9	Very high	87.7	Confident	112 Å²	112	58.6 Å²	58.6	52%	0.523	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	161.8	178.2	-172.9	171.7	-156.4	0	0	109.5	C685 W686	E662-C685 WeakPolarHBondContact O-CA 3.37Å; E662-C685 WeakPolarHBondContact O-CB 3.1Å; E662-W686 HydrophobicContact CB-CH2 4.43Å; E662-W686 HydrophobicContact CB-CZ2 3.55Å; E662-W686 HydrophobicContact CG-CH2 4.07Å; E662-W686 HydrophobicContact CG-CZ2 3.48Å; E662-W686 VanDerWaalsContact CG-CZ2 3.48Å; E662-W686 PolarHBondContact O-N 3.08Å
663	C	94.1	Very high	89	Confident	17 Å²	17	55.9 Å²	55.9	12%	0.115	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	155.3	-177.5	-50.3	0	0	0	0	111.4	I667 K669 C685	C663-I667 HydrophobicContact CB-CB 3.81Å; C663-I667 HydrophobicContact CB-CG2 3.93Å; C663-I667 WeakPolarHBondContact CB-O 3.29Å; C663-K669 VanDerWaalsContact SG-CG 3.59Å; C663-C685 HydrophobicContact CB-CB 3.92Å; C663-C685 WeakPolarHBondContact CB-SG 3.03Å; C663-C685 WeakPolarHBondContact SG-CB 3.34Å; C663-C685 CovalentContact SG-SG 2.04Å; C663-C685 PolarHBondContact SG-SG 2.78Å
664	E	88.9	Confident	90.2	Very high	62 Å²	62	57.7 Å²	57.7	29%	0.29	31%	0.312	S	S	.	.	S	Bend	trans	-69.8	144.1	174.8	-154.8	95.5	-133.1	0	0	110.6	E417 D666 I667 G684 W686	E417-E664 HydrophobicContact CG-CG 4.36Å; E664-D666 PolarHBondContact O-N 2.98Å; E664-I667 WeakPolarHBondContact O-CB 3.25Å; E664-I667 WeakPolarHBondContact O-CG1 3.36Å; E664-I667 PolarHBondContact O-N 2.86Å; E664-G684 PolarHBondContact N-O 3.19Å; E664-W686 HydrophobicContact CB-CZ3 4.28Å
665	G	87.3	Confident	92	Very high	56 Å²	56	63.8 Å²	63.8	58%	0.577	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	-130.6	172.8	0	0	0	0	0	114.4
666	D	88.2	Confident	93.2	Very high	167 Å²	167	67 Å²	67	89%	0.893	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	13.3	-178.4	-68.7	-42.9	0	0	0	113.1	E664	E664-D666 PolarHBondContact O-N 2.98Å
667	I	89.7	Confident	93.8	Very high	52 Å²	52	67.9 Å²	67.9	27%	0.267	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-69.9	132.1	-178.2	-60	174.7	0	0	0	110.1	C663 E664 T682	C663-I667 HydrophobicContact CB-CB 3.81Å; C663-I667 HydrophobicContact CB-CG2 3.93Å; C663-I667 WeakPolarHBondContact CB-O 3.29Å; E664-I667 WeakPolarHBondContact O-CB 3.25Å; E664-I667 WeakPolarHBondContact O-CG1 3.36Å; E664-I667 PolarHBondContact O-N 2.86Å; I667-T682 HydrophobicContact CG2-CG2 4.33Å
668	Q	93.3	Very high	94	Very high	170 Å²	170	71.3 Å²	71.3	79%	0.794	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-88.6	134.4	179.9	-66.6	-172.1	-10.7	0	0	111.8
669	K	96.3	Very high	94.1	Very high	131 Å²	131	71.3 Å²	71.3	57%	0.57	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-62.4	144.7	169.6	-63.7	-170.9	-102.8	-172.7	0	111.5	D660 T661 C663	D660-K669 HydrophobicContact CB-CB 3.87Å; D660-K669 HydrophobicContact CB-CD 4.34Å; D660-K669 HydrophobicContact CB-CG 3.9Å; D660-K669 WeakPolarHBondContact O-CD 3.47Å; T661-K669 WeakPolarHBondContact O-CD 3.33Å; T661-K669 PolarHBondContact O-NZ 3.15Å; C663-K669 VanDerWaalsContact SG-CG 3.59Å
670	N	96.1	Very high	94.1	Very high	104 Å²	104	68.6 Å²	68.6	56%	0.556	37%	0.368	S	S	*	.			trans	-133.5	-46.6	-175.8	-177.8	41	0	0	0	113.1	D660	D660-N670 WeakPolarHBondContact OD2-CA 3.19Å; D660-N670 PolarHBondContact OD2-N 3.49Å
671	Y	97.6	Very high	94.2	Very high	14 Å²	14	68.2 Å²	68.2	6%	0.055	37%	0.365	C	S	.	.			trans	-88.7	135	-176.3	-59.6	-64.5	0	0	0	111.7	D610 R612 E659 D660 D678 G680 T682	D610-Y671 HydrophobicContact CB-CE2 3.94Å; D610-Y671 VanDerWaalsContact OD2-CE2 3.27Å; D610-Y671 WeakPolarHBondContact OD2-CE2 3.49Å; D610-Y671 VanDerWaalsContact OD2-CZ 3.31Å; D610-Y671 PolarHBondContact OD2-OH 3.07Å; R612-Y671 PolarHBondContact NE-OH 3.28Å; R612-Y671 PolarHBondContact NH2-OH 3.27Å; E659-Y671 WeakPolarHBondContact CB-O 3.5Å; D660-Y671 PolarHBondContact N-O 2.67Å; D660-Y671 WeakPolarHBondContact OD2-CD2 3.15Å; D660-Y671 PolarHBondContact OD2-N 3.36Å; Y671-D678 HydrophobicContact CD1-CB 4.29Å; Y671-D678 WeakPolarHBondContact CD1-O 3.34Å; Y671-D678 HydrophobicContact CE1-CB 4.5Å; Y671-G680 WeakPolarHBondContact CB-O 3.42Å; Y671-G680 WeakPolarHBondContact CD2-O 3.46Å; Y671-T682 WeakPolarHBondContact CD2-OG1 3.41Å; Y671-T682 WeakPolarHBondContact CE2-OG1 3.43Å
672	E	96	Very high	94.3	Very high	122 Å²	122	66.6 Å²	66.6	57%	0.57	36%	0.356	S	S	*	.			trans	-146.9	129.9	179.4	-172.4	-179.7	-164.1	0	0	109.2	A674 G677 D678	E672-A674 VanDerWaalsContact C-N 3.34Å; E672-A674 HydrophobicContact CG-CB 4.03Å; E672-G677 WeakPolarHBondContact O-CA 3.34Å; E672-D678 PolarHBondContact N-O 2.93Å
673	C	94.3	Very high	94.3	Very high	3 Å²	3	65.3 Å²	65.3	2%	0.02	35%	0.351	C	S	.	.			trans	-79.6	-18.3	-175.8	-67	0	0	0	0	114	H628 C657 E659 Q679	H628-C673 HydrophobicContact CB-CB 4.35Å; C657-C673 VanDerWaalsContact CA-SG 3.59Å; C657-C673 HydrophobicContact CB-CB 3.81Å; C657-C673 WeakPolarHBondContact CB-SG 3.35Å; C657-C673 WeakPolarHBondContact SG-CB 3.26Å; C657-C673 CovalentContact SG-SG 1.99Å; C657-C673 PolarHBondContact SG-SG 2.88Å; E659-C673 PolarHBondContact OE2-N 2.88Å; E659-C673 VanDerWaalsContact OE2-N 3.09Å; C673-Q679 PolarHBondContact SG-NE2 3.17Å
674	A	92	Very high	94.1	Very high	42 Å²	42	64.5 Å²	64.5	35%	0.347	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-57.6	149.8	176.9	0	0	0	0	0	111.3	E672 F676 G677	E672-A674 VanDerWaalsContact C-N 3.34Å; E672-A674 HydrophobicContact CG-CB 4.03Å; A674-F676 PolarHBondContact O-N 3.48Å; A674-F676 VanDerWaalsContact O-N 3.1Å; A674-G677 PolarHBondContact O-N 3.03Å
675	N	93.1	Very high	94.6	Very high	163 Å²	163	61.6 Å²	61.6	87%	0.872	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	55.9	29.3	175.3	-52.5	-54	0	0	0	115.1	G677	N675-G677 PolarHBondContact O-N 3.12Å
676	F	94.6	Very high	95.1	Very high	75 Å²	75	60 Å²	60	33%	0.329	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	58.5	33.3	-176.4	-153.9	179.2	0	0	0	112.6	R617 W620 Y629 A674	R617-F676 HydrophobicContact CB-CE2 3.72Å; R617-F676 HydrophobicContact CB-CZ 3.71Å; R617-F676 HydrophobicContact CG-CD2 4.13Å; R617-F676 HydrophobicContact CG-CE2 3.64Å; R617-F676 HydrophobicContact CG-CZ 4.08Å; R617-F676 PolarHBondContact NE-O 3.32Å; R617-F676 PolarHBondContact NH2-O 3.21Å; W620-F676 HydrophobicContact CD2-CE2 4.27Å; W620-F676 AromaticContact CE3-CD2 3.81Å; W620-F676 HydrophobicContact CE3-CD2 3.81Å; W620-F676 AromaticContact CE3-CE2 3.47Å; W620-F676 HydrophobicContact CE3-CE2 3.47Å; W620-F676 VanDerWaalsContact CE3-CE2 3.47Å; W620-F676 AromaticContact CZ3-CD2 3.91Å; W620-F676 HydrophobicContact CZ3-CD2 3.91Å; W620-F676 AromaticContact CZ3-CE2 3.94Å; W620-F676 HydrophobicContact CZ3-CE2 3.94Å; Y629-F676 HydrophobicContact CD1-CE2 4.11Å; Y629-F676 HydrophobicContact CD1-CZ 4.39Å; Y629-F676 HydrophobicContact CD2-CB 4.27Å; Y629-F676 HydrophobicContact CD2-CD1 4.3Å; Y629-F676 AromaticContact CD2-CD2 3.48Å; Y629-F676 HydrophobicContact CD2-CD2 3.48Å; Y629-F676 VanDerWaalsContact CD2-CD2 3.48Å; Y629-F676 AromaticContact CD2-CE2 3.71Å; Y629-F676 HydrophobicContact CD2-CE2 3.71Å; Y629-F676 AromaticContact CD2-CG 3.78Å; Y629-F676 HydrophobicContact CD2-CG 3.78Å; Y629-F676 HydrophobicContact CD2-CZ 4.22Å; Y629-F676 HydrophobicContact CE1-CE2 4.28Å; Y629-F676 HydrophobicContact CE1-CZ 4.11Å; Y629-F676 HydrophobicContact CE2-CB 4.35Å; Y629-F676 AromaticContact CE2-CD1 3.81Å; Y629-F676 HydrophobicContact CE2-CD1 3.81Å; Y629-F676 AromaticContact CE2-CD2 3.83Å; Y629-F676 HydrophobicContact CE2-CD2 3.83Å; Y629-F676 AromaticContact CE2-CE1 3.91Å; Y629-F676 HydrophobicContact CE2-CE1 3.91Å; Y629-F676 AromaticContact CE2-CE2 3.91Å; Y629-F676 HydrophobicContact CE2-CE2 3.91Å; Y629-F676 AromaticContact CE2-CG 3.75Å; Y629-F676 HydrophobicContact CE2-CG 3.75Å; Y629-F676 AromaticContact CE2-CZ 3.94Å; Y629-F676 HydrophobicContact CE2-CZ 3.94Å; Y629-F676 AromaticContact CG-CD2 3.95Å; Y629-F676 HydrophobicContact CG-CD2 3.95Å; Y629-F676 AromaticContact CG-CE2 3.83Å; Y629-F676 HydrophobicContact CG-CE2 3.83Å; Y629-F676 HydrophobicContact CG-CZ 4.44Å; Y629-F676 AromaticContact CZ-CE1 3.98Å; Y629-F676 AromaticContact CZ-CZ 3.88Å; A674-F676 PolarHBondContact O-N 3.48Å; A674-F676 VanDerWaalsContact O-N 3.1Å
677	G	94.1	Very high	95.5	Very high	20 Å²	20	52.2 Å²	52.2	21%	0.206	27%	0.266	C	S	.	.			trans	-58.8	165.7	176.7	0	0	0	0	0	112.7	W620 E672 A674 N675	W620-G677 VanDerWaalsContact CZ3-O 3.27Å; W620-G677 WeakPolarHBondContact CZ3-O 3.48Å; E672-G677 WeakPolarHBondContact O-CA 3.34Å; A674-G677 PolarHBondContact O-N 3.03Å; N675-G677 PolarHBondContact O-N 3.12Å
678	D	96.4	Very high	95.7	Very high	73 Å²	73	51.6 Å²	51.6	39%	0.39	26%	0.263	S	S	.	.			trans	-68	138	173.8	-77.7	-64.1	0	0	0	109.9	R617 Y671 E672	R617-D678 IonicContact CZ-OD1 3.25Å; R617-D678 IonicContact CZ-OD2 3.32Å; R617-D678 IonicContact NH1-OD1 2.68Å; R617-D678 PolarHBondContact NH1-OD1 2.98Å; R617-D678 IonicContact NH1-OD2 3.27Å; R617-D678 IonicContact NH2-OD1 2.8Å; R617-D678 PolarHBondContact NH2-OD1 3.29Å; R617-D678 IonicContact NH2-OD2 3.58Å; R617-D678 PolarHBondContact NH2-OD2 3.01Å; Y671-D678 HydrophobicContact CD1-CB 4.29Å; Y671-D678 WeakPolarHBondContact CD1-O 3.34Å; Y671-D678 HydrophobicContact CE1-CB 4.5Å; E672-D678 PolarHBondContact N-O 2.93Å
679	Q	97.2	Very high	95.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.227	C	C	.	.			trans	-107.8	147.8	-178.7	-67	-166.1	15.5	0	0	111.5	R612 P613 W620 Y629 S631 L658 C673	R612-Q679 PolarHBondContact NH1-O 3.37Å; P613-Q679 VanDerWaalsContact CD-O 3.29Å; P613-Q679 WeakPolarHBondContact CD-O 2.96Å; W620-Q679 HydrophobicContact CE3-CG 4.41Å; W620-Q679 HydrophobicContact CH2-CB 3.99Å; W620-Q679 HydrophobicContact CH2-CG 3.95Å; W620-Q679 HydrophobicContact CZ2-CB 4.33Å; W620-Q679 HydrophobicContact CZ3-CB 4.36Å; W620-Q679 HydrophobicContact CZ3-CG 3.82Å; Y629-Q679 PolarHBondContact O-NE2 3.23Å; S631-Q679 PolarHBondContact OG-OE1 3.11Å; L658-Q679 HydrophobicContact CB-CB 4.21Å; L658-Q679 VanDerWaalsContact N-OE1 3.15Å; L658-Q679 CarbonylContact O-C 3.48Å; L658-Q679 VanDerWaalsContact O-CA 3.26Å; L658-Q679 WeakPolarHBondContact O-CA 3.39Å; L658-Q679 WeakPolarHBondContact O-CB 3.44Å; C673-Q679 PolarHBondContact SG-NE2 3.17Å
680	G	97.4	Very high	95.5	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.224	C	C	.	.			trans	162.4	176.5	-177.9	0	0	0	0	0	111.2	F611 L658 E659 Y671	F611-G680 CarbonylContact O-C 3.54Å; F611-G680 WeakPolarHBondContact O-CA 3.32Å; L658-G680 CarbonylContact C-O 3.55Å; L658-G680 PolarHBondContact O-N 2.02Å; E659-G680 WeakPolarHBondContact CA-O 3.19Å; E659-G680 PolarHBondContact N-O 3.49Å; Y671-G680 WeakPolarHBondContact CB-O 3.42Å; Y671-G680 WeakPolarHBondContact CD2-O 3.46Å
681	I	98.4	Very high	95.4	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-125.3	116.1	171.1	-50.8	176.4	0	0	0	107	L550 I603 N605 D610 F611 F635 L658 D660 D687	L550-I681 HydrophobicContact CD2-CD1 4.26Å; I603-I681 HydrophobicContact CG2-CD1 4.38Å; N605-I681 HydrophobicContact CB-CB 4.11Å; N605-I681 HydrophobicContact CB-CG2 3.65Å; N605-I681 PolarHBondContact ND2-O 3.47Å; D610-I681 WeakPolarHBondContact CA-O 3.23Å; F611-I681 HydrophobicContact CB-CB 4.28Å; F611-I681 PolarHBondContact N-O 3.3Å; F611-I681 PolarHBondContact O-N 3.3Å; F635-I681 HydrophobicContact CZ-CD1 4.44Å; L658-I681 HydrophobicContact CB-CG1 4.44Å; L658-I681 HydrophobicContact CD2-CD1 4.32Å; D660-I681 WeakPolarHBondContact OD1-CA 3.26Å; I681-D687 HydrophobicContact CD1-CB 3.72Å; I681-D687 HydrophobicContact CG1-CB 4.11Å
682	T	98.1	Very high	95	Very high	16 Å²	16	44.8 Å²	44.8	10%	0.098	23%	0.227	C	C	.	.			trans	-67.1	146.8	179.8	-77.5	0	0	0	0	111	D610 D660 I667 Y671 G684 C685	D610-T682 WeakPolarHBondContact OD1-CA 3Å; D660-T682 PolarHBondContact OD1-N 2.76Å; D660-T682 PolarHBondContact OD2-OG1 3.31Å; I667-T682 HydrophobicContact CG2-CG2 4.33Å; Y671-T682 WeakPolarHBondContact CD2-OG1 3.41Å; Y671-T682 WeakPolarHBondContact CE2-OG1 3.43Å; T682-G684 PolarHBondContact O-N 3.26Å; T682-C685 WeakPolarHBondContact O-CB 3.38Å; T682-C685 PolarHBondContact O-N 3.35Å
683	M	96.4	Very high	94.6	Very high	85 Å²	85	41.5 Å²	41.5	42%	0.419	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	125.8	175.6	-176.6	-172.7	77	0	0	111.1	G607 D610 C685	G607-M683 WeakPolarHBondContact O-CG 3.47Å; D610-M683 PolarHBondContact OD1-N 2.72Å; M683-C685 VanDerWaalsContact C-N 3.3Å
684	G	91.7	Very high	94.2	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	6.4	-176.4	0	0	0	0	0	114.6	N605 E664 T682	N605-G684 PolarHBondContact O-N 2.76Å; E664-G684 PolarHBondContact N-O 3.19Å; T682-G684 PolarHBondContact O-N 3.26Å
685	C	98	Very high	94	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	169.2	172	-54.5	0	0	0	0	111.6	N605 D660 E662 C663 T682 M683	N605-C685 PolarHBondContact N-O 2.91Å; D660-C685 HydrophobicContact CB-CB 4.21Å; E662-C685 WeakPolarHBondContact O-CA 3.37Å; E662-C685 WeakPolarHBondContact O-CB 3.1Å; C663-C685 HydrophobicContact CB-CB 3.92Å; C663-C685 WeakPolarHBondContact CB-SG 3.03Å; C663-C685 WeakPolarHBondContact SG-CB 3.34Å; C663-C685 CovalentContact SG-SG 2.04Å; C663-C685 PolarHBondContact SG-SG 2.78Å; T682-C685 WeakPolarHBondContact O-CB 3.38Å; T682-C685 PolarHBondContact O-N 3.35Å; M683-C685 VanDerWaalsContact C-N 3.3Å
686	W	98.1	Very high	93.9	Very high	24 Å²	24	33.2 Å²	33.2	9%	0.091	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	153	172.1	57.3	81.3	0	0	0	112.7	Q602 I603 H604 T661 E662 E664	Q602-W686 HydrophobicContact CG-CB 4.07Å; Q602-W686 HydrophobicContact CG-CG 3.89Å; Q602-W686 VanDerWaalsContact NE2-CE2 3.31Å; I603-W686 CarbonylContact O-C 3.45Å; I603-W686 WeakPolarHBondContact O-CA 3.32Å; I603-W686 VanDerWaalsContact O-CB 3.29Å; I603-W686 WeakPolarHBondContact O-CB 3.22Å; H604-W686 HydrophobicContact CB-CB 4.4Å; H604-W686 AromaticContact CE1-CD2 3.79Å; H604-W686 AromaticContact CE1-CE3 3.45Å; H604-W686 VanDerWaalsContact CE1-CE3 3.45Å; H604-W686 AromaticContact ND1-CE3 3.56Å; T661-W686 PolarHBondContact N-O 3.28Å; E662-W686 HydrophobicContact CB-CH2 4.43Å; E662-W686 HydrophobicContact CB-CZ2 3.55Å; E662-W686 HydrophobicContact CG-CH2 4.07Å; E662-W686 HydrophobicContact CG-CZ2 3.48Å; E662-W686 VanDerWaalsContact CG-CZ2 3.48Å; E662-W686 PolarHBondContact O-N 3.08Å; E664-W686 HydrophobicContact CB-CZ3 4.28Å
687	D	96.6	Very high	93.9	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.011	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	124.7	171.4	-167.3	-12.2	0	0	0	109.6	Q602 I603 C657 L658 E659 I681	Q602-D687 WeakPolarHBondContact CA-O 3.31Å; I603-D687 PolarHBondContact N-O 3.24Å; I603-D687 PolarHBondContact O-N 3.29Å; C657-D687 VanDerWaalsContact O-OD2 3.04Å; L658-D687 WeakPolarHBondContact CA-OD2 3.34Å; E659-D687 PolarHBondContact N-OD2 3.11Å; E659-D687 VanDerWaalsContact O-CB 3.31Å; E659-D687 WeakPolarHBondContact O-CB 3.07Å; I681-D687 HydrophobicContact CD1-CB 3.72Å; I681-D687 HydrophobicContact CG1-CB 4.11Å
688	M	94.7	Very high	94	Very high	39 Å²	39	28.8 Å²	28.8	19%	0.192	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	110.1	-175.8	175.3	63.7	79.5	0	0	111.8	M556 Q602 T661 R690	M556-M688 HydrophobicContact CE-CE 4.09Å; M556-M688 HydrophobicContact CG-CE 4.14Å; M556-M688 HydrophobicContact SD-CE 4.3Å; Q602-M688 HydrophobicContact CB-CE 3.52Å; Q602-M688 HydrophobicContact CB-SD 3.91Å; Q602-M688 VanDerWaalsContact CD-CE 3.47Å; Q602-M688 HydrophobicContact CG-CE 3.6Å; Q602-M688 HydrophobicContact CG-SD 4.42Å; T661-M688 HydrophobicContact CG2-CB 3.98Å; T661-M688 PolarHBondContact OG1-N 3.34Å; T661-M688 VanDerWaalsContact OG1-N 3.09Å; M688-R690 HydrophobicContact CG-CG 3.82Å
689	Y	92.2	Very high	93.9	Very high	9 Å²	9	25.5 Å²	25.5	4%	0.035	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	94.9	167.1	-85.5	-95.8	0	0	0	110.7	S600 S601 K653 F656 C657 I693	S600-Y689 CarbonylContact C-O 3.52Å; S600-Y689 VanDerWaalsContact CA-O 3.29Å; S600-Y689 WeakPolarHBondContact CA-O 3.42Å; S601-Y689 PolarHBondContact N-O 3.19Å; S601-Y689 PolarHBondContact O-N 3.17Å; K653-Y689 VanDerWaalsContact CE-CD1 3.44Å; F656-Y689 HydrophobicContact CD1-CD1 4.45Å; F656-Y689 AromaticContact CD1-CD2 3.73Å; F656-Y689 HydrophobicContact CD1-CD2 3.73Å; F656-Y689 HydrophobicContact CD1-CE1 4.11Å; F656-Y689 AromaticContact CD1-CE2 3.34Å; F656-Y689 HydrophobicContact CD1-CE2 3.34Å; F656-Y689 HydrophobicContact CD1-CG 4.25Å; F656-Y689 AromaticContact CD1-CZ 3.52Å; F656-Y689 HydrophobicContact CE1-CD1 4.29Å; F656-Y689 AromaticContact CE1-CD2 3.75Å; F656-Y689 HydrophobicContact CE1-CD2 3.75Å; F656-Y689 HydrophobicContact CE1-CE1 4.37Å; F656-Y689 AromaticContact CE1-CE2 3.87Å; F656-Y689 HydrophobicContact CE1-CE2 3.87Å; F656-Y689 AromaticContact CE1-CG 3.95Å; F656-Y689 HydrophobicContact CE1-CG 3.95Å; F656-Y689 HydrophobicContact CG-CE2 4.37Å; C657-Y689 WeakPolarHBondContact CA-OH 2.96Å; C657-Y689 WeakPolarHBondContact CB-OH 3.27Å; C657-Y689 PolarHBondContact N-OH 3.16Å; C657-Y689 PolarHBondContact O-OH 3.34Å; Y689-I693 HydrophobicContact CD1-CD1 4.4Å
690	R	93.6	Very high	93.9	Very high	134 Å²	134	25.5 Å²	25.5	51%	0.506	12%	0.12	S	C	.	.			trans	-66.8	149.4	-177.5	-57.4	-165.4	-45.8	-131.6	0.5	113	M688 D692 I693	M688-R690 HydrophobicContact CG-CG 3.82Å; R690-D692 WeakPolarHBondContact CB-OD1 3.39Å; R690-D692 IonicContact CZ-OD1 3.44Å; R690-D692 IonicContact CZ-OD2 3.01Å; R690-D692 IonicContact NE-OD1 3.39Å; R690-D692 PolarHBondContact NE-OD1 3.46Å; R690-D692 IonicContact NE-OD2 3.06Å; R690-D692 IonicContact NH2-OD1 3.31Å; R690-D692 IonicContact NH2-OD2 3.84Å; R690-D692 PolarHBondContact NH2-OD2 2.05Å; R690-D692 PolarHBondContact O-N 3.5Å; R690-I693 HydrophobicContact CB-CD1 4.36Å; R690-I693 HydrophobicContact CB-CG1 4.39Å; R690-I693 WeakPolarHBondContact O-CB 3.39Å; R690-I693 PolarHBondContact O-N 3.14Å; R690-I693 VanDerWaalsContact O-N 3.08Å
691	H	93.1	Very high	93.8	Very high	60 Å²	60	27.9 Å²	27.9	28%	0.278	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-22.9	179.7	59.8	63.2	0	0	0	115.7	Y562 R598 F599 S600	Y562-H691 HydrophobicContact CE1-CB 3.89Å; Y562-H691 AromaticContact CE1-CG 3.7Å; Y562-H691 AromaticContact CE1-ND1 3.64Å; Y562-H691 AromaticContact CZ-ND1 3.9Å; Y562-H691 PolarHBondContact OH-ND1 3.12Å; R598-H691 WeakPolarHBondContact CD-O 3.46Å; R598-H691 PolarHBondContact NH1-O 2.83Å; F599-H691 WeakPolarHBondContact O-CA 3.49Å; S600-H691 WeakPolarHBondContact OG-CB 3.27Å; S600-H691 PolarHBondContact OG-CD2 3.28Å; S600-H691 VanDerWaalsContact OG-CD2 3.27Å; S600-H691 PolarHBondContact OG-N 3.28Å
692	D	90.2	Very high	93.6	Very high	74 Å²	74	32.4 Å²	32.4	40%	0.396	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-14.5	-179	61.2	-47.8	0	0	0	113.5	R690	R690-D692 WeakPolarHBondContact CB-OD1 3.39Å; R690-D692 IonicContact CZ-OD1 3.44Å; R690-D692 IonicContact CZ-OD2 3.01Å; R690-D692 IonicContact NE-OD1 3.39Å; R690-D692 PolarHBondContact NE-OD1 3.46Å; R690-D692 IonicContact NE-OD2 3.06Å; R690-D692 IonicContact NH2-OD1 3.31Å; R690-D692 IonicContact NH2-OD2 3.84Å; R690-D692 PolarHBondContact NH2-OD2 2.05Å; R690-D692 PolarHBondContact O-N 3.5Å
693	I	87.3	Confident	93.5	Very high	52 Å²	52	32.2 Å²	32.2	27%	0.267	16%	0.157	S	C	.	.	S	Bend	trans	-69.5	146.9	179.1	-58	176.7	0	0	0	109.8	R598 Y689 R690 Q696	R598-I693 PolarHBondContact NH1-O 3.18Å; Y689-I693 HydrophobicContact CD1-CD1 4.4Å; R690-I693 HydrophobicContact CB-CD1 4.36Å; R690-I693 HydrophobicContact CB-CG1 4.39Å; R690-I693 WeakPolarHBondContact O-CB 3.39Å; R690-I693 PolarHBondContact O-N 3.14Å; R690-I693 VanDerWaalsContact O-N 3.08Å; I693-Q696 HydrophobicContact CB-CB 4.48Å; I693-Q696 VanDerWaalsContact O-CB 3.27Å; I693-Q696 WeakPolarHBondContact O-CB 3.32Å; I693-Q696 PolarHBondContact O-N 3.5Å
694	D	86.2	Confident	93.5	Very high	34 Å²	34	31.7 Å²	31.7	18%	0.182	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	151.1	174.2	-82	-20	0	0	0	111.6	R566 K653 Q696 W697	R566-D694 IonicContact CZ-OD1 3.29Å; R566-D694 IonicContact NH1-OD1 2.89Å; R566-D694 PolarHBondContact NH1-OD1 3.49Å; R566-D694 IonicContact NH2-OD1 3.69Å; R566-D694 PolarHBondContact NH2-OD1 2.84Å; R566-D694 VanDerWaalsContact NH2-OD1 3.15Å; R566-D694 IonicContact NH2-OD2 3.43Å; K653-D694 PolarHBondContact NZ-O 2.68Å; D694-Q696 PolarHBondContact O-N 3.04Å; D694-W697 HydrophobicContact CB-CH2 4.15Å; D694-W697 HydrophobicContact CB-CZ3 4.31Å
695	C	86.2	Confident	93.8	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.007	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	8.5	-173.4	-55.8	0	0	0	0	115.6	E577 C579 K653 W697	E577-C695 PolarHBondContact OE2-SG 3.44Å; C579-C695 HydrophobicContact CB-CB 3.64Å; C579-C695 WeakPolarHBondContact CB-SG 3.46Å; C579-C695 WeakPolarHBondContact SG-CB 2.97Å; C579-C695 CovalentContact SG-SG 2.02Å; C579-C695 PolarHBondContact SG-SG 3.11Å; K653-C695 HydrophobicContact CD-CB 3.87Å; K653-C695 WeakPolarHBondContact CD-O 3.14Å; C695-W697 VanDerWaalsContact C-N 3.27Å; C695-W697 PolarHBondContact O-N 2.76Å
696	Q	92.1	Very high	93.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.197	C	C	.	.			trans	-89.8	59.3	174.7	-160.3	67.7	17.8	0	0	111.4	F599 S601 Y638 I693 D694	F599-Q696 WeakPolarHBondContact O-CG 3.48Å; S601-Q696 PolarHBondContact OG-NE2 3.15Å; Y638-Q696 PolarHBondContact OH-NE2 3.23Å; Y638-Q696 VanDerWaalsContact OH-NE2 3.14Å; I693-Q696 HydrophobicContact CB-CB 4.48Å; I693-Q696 VanDerWaalsContact O-CB 3.27Å; I693-Q696 WeakPolarHBondContact O-CB 3.32Å; I693-Q696 PolarHBondContact O-N 3.5Å; D694-Q696 PolarHBondContact O-N 3.04Å
697	W	93.4	Very high	93.4	Very high	1 Å²	1	38.6 Å²	38.6	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	171.9	-178.2	56.6	68.9	0	0	0	113.2	L571 A574 C579 L580 L596 L597 R598 D694 C695	L571-W697 HydrophobicContact CD2-CH2 3.84Å; L571-W697 HydrophobicContact CD2-CZ2 4.02Å; A574-W697 HydrophobicContact CB-CH2 3.92Å; A574-W697 HydrophobicContact CB-CZ2 3.51Å; C579-W697 PolarHBondContact O-NE1 3.38Å; L580-W697 HydrophobicContact CD2-CZ2 4.11Å; L596-W697 HydrophobicContact CB-CB 4.09Å; L596-W697 HydrophobicContact CB-CD2 4.35Å; L596-W697 HydrophobicContact CB-CG 4.06Å; L596-W697 HydrophobicContact CD1-CD2 3.87Å; L596-W697 HydrophobicContact CD1-CE3 4.03Å; L596-W697 HydrophobicContact CD1-CG 4.38Å; L596-W697 HydrophobicContact CD1-CH2 4.19Å; L596-W697 HydrophobicContact CD1-CZ2 4.06Å; L596-W697 HydrophobicContact CD1-CZ3 4.19Å; L596-W697 HydrophobicContact CD2-CD2 4.28Å; L596-W697 HydrophobicContact CD2-CG 4.14Å; L596-W697 HydrophobicContact CG-CD2 4.39Å; L596-W697 HydrophobicContact CG-CG 4.41Å; L597-W697 CarbonylContact O-C 3.57Å; L597-W697 WeakPolarHBondContact O-CA 3.38Å; L597-W697 VanDerWaalsContact O-CB 3.22Å; L597-W697 WeakPolarHBondContact O-CB 3.44Å; R598-W697 HydrophobicContact CG-CB 4.07Å; R598-W697 VanDerWaalsContact CZ-CZ3 3.46Å; R598-W697 VanDerWaalsContact NH2-CE3 3.35Å; D694-W697 HydrophobicContact CB-CH2 4.15Å; D694-W697 HydrophobicContact CB-CZ3 4.31Å; C695-W697 VanDerWaalsContact C-N 3.27Å; C695-W697 PolarHBondContact O-N 2.76Å
698	I	95.8	Very high	93.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	128.9	154.8	-57.6	-178.4	0	0	0	107.9	L597 F599 Y638 L640 A649 I700 F710	L597-I698 HydrophobicContact CB-CB 4.44Å; L597-I698 WeakPolarHBondContact CB-O 3.49Å; L597-I698 PolarHBondContact N-O 3.22Å; L597-I698 PolarHBondContact O-N 3.42Å; F599-I698 HydrophobicContact CE1-CG1 4.45Å; Y638-I698 WeakPolarHBondContact O-CD1 3.41Å; L640-I698 HydrophobicContact CB-CD1 4.19Å; A649-I698 HydrophobicContact CB-CG2 3.74Å; I698-I700 HydrophobicContact CB-CG2 4.32Å; I698-I700 HydrophobicContact CG2-CG2 3.96Å; I698-I700 PolarHBondContact O-N 2.97Å; I698-F710 HydrophobicContact CD1-CD2 3.84Å; I698-F710 HydrophobicContact CD1-CE2 3.49Å; I698-F710 VanDerWaalsContact CD1-CE2 3.49Å; I698-F710 HydrophobicContact CG1-CE2 4.2Å
699	D	95.5	Very high	93.3	Very high	5 Å²	5	38.2 Å²	38.2	3%	0.027	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	110.7	171.6	-175.6	-14.3	0	0	0	109.2	S581 R594 L596 T701	S581-D699 PolarHBondContact N-OD2 2.92Å; R594-D699 IonicContact CZ-OD1 2.9Å; R594-D699 IonicContact CZ-OD2 2.84Å; R594-D699 VanDerWaalsContact CZ-OD2 3.27Å; R594-D699 IonicContact NE-OD1 2.76Å; R594-D699 IonicContact NE-OD2 3.63Å; R594-D699 PolarHBondContact NE-OD2 2.87Å; R594-D699 VanDerWaalsContact NH2-CG 3.3Å; R594-D699 IonicContact NH2-OD1 3.27Å; R594-D699 PolarHBondContact NH2-OD1 3.38Å; R594-D699 IonicContact NH2-OD2 3.88Å; R594-D699 PolarHBondContact NH2-OD2 2.98Å; L596-D699 HydrophobicContact CD2-CB 4.14Å; D699-T701 VanDerWaalsContact OD1-CB 3.29Å; D699-T701 WeakPolarHBondContact OD1-CB 3.4Å; D699-T701 PolarHBondContact OD1-N 3.15Å; D699-T701 PolarHBondContact OD1-OG1 3.48Å
700	I	96.7	Very high	93.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.205	C	C	.	.			trans	-109.1	18.9	-176.2	65.3	160.8	0	0	0	112.4	L563 R595 L597 L640 I698 D702 V703 Y736	L563-I700 HydrophobicContact CD2-CD1 3.51Å; L563-I700 HydrophobicContact CD2-CG1 4.49Å; R595-I700 HydrophobicContact CB-CG1 4.27Å; R595-I700 HydrophobicContact CG-CD1 4.05Å; R595-I700 HydrophobicContact CG-CG1 3.74Å; R595-I700 WeakPolarHBondContact O-CG1 3.4Å; R595-I700 PolarHBondContact O-N 3.48Å; L597-I700 HydrophobicContact CB-CD1 4.26Å; L597-I700 HydrophobicContact CB-CG1 4.33Å; L597-I700 HydrophobicContact CB-CG2 3.94Å; L597-I700 HydrophobicContact CD2-CG2 4.4Å; L640-I700 HydrophobicContact CD2-CG2 4.04Å; I698-I700 HydrophobicContact CB-CG2 4.32Å; I698-I700 HydrophobicContact CG2-CG2 3.96Å; I698-I700 PolarHBondContact O-N 2.97Å; I700-D702 PolarHBondContact O-N 2.9Å; I700-V703 HydrophobicContact CB-CB 4.07Å; I700-V703 HydrophobicContact CB-CG2 3.88Å; I700-V703 HydrophobicContact CG2-CG2 4.2Å; I700-V703 WeakPolarHBondContact O-CB 3.43Å; I700-V703 PolarHBondContact O-N 3.27Å; I700-V703 VanDerWaalsContact O-N 3.08Å; I700-Y736 HydrophobicContact CD1-CD2 4.41Å; I700-Y736 HydrophobicContact CD1-CE1 4.47Å; I700-Y736 HydrophobicContact CD1-CE2 4.1Å
701	T	95.4	Very high	93.6	Very high	50 Å²	50	33 Å²	33	31%	0.307	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-38.3	-178.2	-52.9	0	0	0	0	112.5	R594 R595 D699	R594-T701 WeakPolarHBondContact CA-OG1 3.42Å; R594-T701 VanDerWaalsContact CZ-OG1 3.31Å; R594-T701 PolarHBondContact NE-OG1 2.8Å; R594-T701 PolarHBondContact NH2-OG1 2.78Å; R595-T701 PolarHBondContact N-OG1 2.77Å; R595-T701 PolarHBondContact O-N 2.94Å; D699-T701 VanDerWaalsContact OD1-CB 3.29Å; D699-T701 WeakPolarHBondContact OD1-CB 3.4Å; D699-T701 PolarHBondContact OD1-N 3.15Å; D699-T701 PolarHBondContact OD1-OG1 3.48Å
702	D	94.1	Very high	93.7	Very high	94 Å²	94	30.2 Å²	30.2	50%	0.503	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-0.9	-176.6	-50.6	-49.5	0	0	0	113.1	S581 S583 R594 I700	S581-D702 PolarHBondContact OG-OD2 2.75Å; S583-D702 WeakPolarHBondContact CB-OD1 3.06Å; S583-D702 WeakPolarHBondContact CB-OD2 3.44Å; S583-D702 PolarHBondContact OG-OD1 2.82Å; S583-D702 PolarHBondContact OG-OD2 3.14Å; R594-D702 IonicContact NH2-OD2 3.15Å; I700-D702 PolarHBondContact O-N 2.9Å
703	V	96.1	Very high	94	Very high	12 Å²	12	27.6 Å²	27.6	7%	0.073	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-85.6	125.9	-175.7	-177.4	0	0	0	0	109	L640 V648 A649 I700 Y708 Y736	L640-V703 HydrophobicContact CD2-CG1 4.03Å; L640-V703 HydrophobicContact CD2-CG2 4.41Å; V648-V703 HydrophobicContact CG1-CG1 4.11Å; V648-V703 HydrophobicContact CG1-CG2 4.37Å; A649-V703 HydrophobicContact CB-CG2 3.63Å; I700-V703 HydrophobicContact CB-CB 4.07Å; I700-V703 HydrophobicContact CB-CG2 3.88Å; I700-V703 HydrophobicContact CG2-CG2 4.2Å; I700-V703 WeakPolarHBondContact O-CB 3.43Å; I700-V703 PolarHBondContact O-N 3.27Å; I700-V703 VanDerWaalsContact O-N 3.08Å; V703-Y708 HydrophobicContact CG1-CE1 4.21Å; V703-Y708 HydrophobicContact CG1-CE2 3.99Å; V703-Y736 WeakPolarHBondContact O-CE1 3.41Å
704	P	96.6	Very high	94.3	Very high	75 Å²	75	25.2 Å²	25.2	49%	0.487	15%	0.149	S	C	.	.	P	Polyproline II helix	trans	-73.6	164.5	175.3	29.8	-33.2	0	0	0	111.5	Y708 Y736	P704-Y708 PolarHBondContact O-OH 3.13Å; P704-Y736 WeakPolarHBondContact O-CD1 3.33Å
705	P	97.1	Very high	94.7	Very high	81 Å²	81	23.6 Å²	23.6	53%	0.526	14%	0.141	S	C	.	.	S	Bend	trans	-59	142.4	168.7	-24.4	35.6	0	0	0	112	Y736	P705-Y736 CarbonylContact C-O 3.59Å; P705-Y736 VanDerWaalsContact CA-O 3.24Å; P705-Y736 WeakPolarHBondContact CA-O 3.32Å; P705-Y736 WeakPolarHBondContact CB-O 3.37Å
706	G	94.6	Very high	95	Very high	24 Å²	24	24.7 Å²	24.7	25%	0.247	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.4	-176.4	-177	0	0	0	0	0	114.2	Y708 Y736	G706-Y708 VanDerWaalsContact C-CE2 3.47Å; G706-Y708 WeakPolarHBondContact O-CD2 3.08Å; G706-Y708 WeakPolarHBondContact O-CE2 3.39Å; G706-Y736 PolarHBondContact N-O 2.78Å; G706-Y736 PolarHBondContact O-N 2.69Å
707	D	94	Very high	95	Very high	63 Å²	63	28.7 Å²	28.7	34%	0.337	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	130.7	172.7	-64.1	-65.1	0	0	0	109.8	L643 R735	L643-D707 HydrophobicContact CD1-CB 4.37Å; D707-R735 WeakPolarHBondContact OD1-CD 3.43Å; D707-R735 VanDerWaalsContact OD1-CG 3.32Å; D707-R735 WeakPolarHBondContact OD1-CG 3.39Å; D707-R735 IonicContact OD1-NE 2.77Å
708	Y	94.6	Very high	95	Very high	19 Å²	19	33 Å²	33	8%	0.075	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	164.6	-171.6	-60.4	-75.7	0	0	0	111.3	L640 L641 V648 V703 P704 G706 S734	L640-Y708 HydrophobicContact CD1-CG 4.4Å; L640-Y708 HydrophobicContact CD2-CD2 4.44Å; L640-Y708 HydrophobicContact CD2-CG 4.21Å; L640-Y708 HydrophobicContact CG-CD1 4.43Å; L640-Y708 HydrophobicContact CG-CG 4.18Å; L641-Y708 CarbonylContact O-C 3.57Å; L641-Y708 WeakPolarHBondContact O-CA 3.32Å; L641-Y708 WeakPolarHBondContact O-CB 3.21Å; V648-Y708 HydrophobicContact CB-CE1 4.36Å; V648-Y708 HydrophobicContact CG1-CE1 4.05Å; V648-Y708 HydrophobicContact CG2-CD1 4.3Å; V648-Y708 HydrophobicContact CG2-CE1 4.12Å; V703-Y708 HydrophobicContact CG1-CE1 4.21Å; V703-Y708 HydrophobicContact CG1-CE2 3.99Å; P704-Y708 PolarHBondContact O-OH 3.13Å; G706-Y708 VanDerWaalsContact C-CE2 3.47Å; G706-Y708 WeakPolarHBondContact O-CD2 3.08Å; G706-Y708 WeakPolarHBondContact O-CE2 3.39Å; Y708-S734 PolarHBondContact N-O 3.39Å; Y708-S734 PolarHBondContact O-N 3.44Å
709	L	94.7	Very high	94.7	Very high	15 Å²	15	36.2 Å²	36.2	8%	0.079	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	124.8	164.7	-59.6	175.8	0	0	0	108	L641 L643 C732 R733 F760	L641-L709 HydrophobicContact CB-CB 4.26Å; L641-L709 PolarHBondContact N-O 2.96Å; L641-L709 PolarHBondContact O-N 2.8Å; L643-L709 HydrophobicContact CD2-CD2 4.19Å; L643-L709 HydrophobicContact CD2-CG 4.17Å; L709-C732 WeakPolarHBondContact CA-O 3.46Å; L709-R733 HydrophobicContact CD2-CG 4.14Å; L709-F760 HydrophobicContact CD2-CE1 3.93Å; L709-F760 HydrophobicContact CD2-CZ 4.03Å
710	F	96.1	Very high	94.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	131.9	170.4	175.6	-99.3	0	0	0	108.5	V557 L597 F599 L640 I698 V712 M730 K731 C732 M743	V557-F710 HydrophobicContact CG1-CD1 4.36Å; V557-F710 HydrophobicContact CG1-CE1 3.68Å; L597-F710 HydrophobicContact CD2-CD2 4.1Å; L597-F710 HydrophobicContact CD2-CE2 4.27Å; F599-F710 HydrophobicContact CD1-CE2 4.07Å; F599-F710 AromaticContact CD1-CZ 3.66Å; F599-F710 HydrophobicContact CD1-CZ 3.66Å; F599-F710 HydrophobicContact CD2-CZ 4.04Å; F599-F710 AromaticContact CE1-CE2 3.81Å; F599-F710 HydrophobicContact CE1-CE2 3.81Å; F599-F710 AromaticContact CE1-CZ 3.51Å; F599-F710 HydrophobicContact CE1-CZ 3.51Å; F599-F710 AromaticContact CE2-CZ 3.89Å; F599-F710 HydrophobicContact CE2-CZ 3.89Å; F599-F710 AromaticContact CG-CZ 3.94Å; F599-F710 HydrophobicContact CG-CZ 3.94Å; F599-F710 HydrophobicContact CZ-CE2 4.25Å; F599-F710 AromaticContact CZ-CZ 3.64Å; F599-F710 HydrophobicContact CZ-CZ 3.64Å; L640-F710 HydrophobicContact CD1-CB 4.2Å; L640-F710 HydrophobicContact CD1-CD2 4.37Å; I698-F710 HydrophobicContact CD1-CD2 3.84Å; I698-F710 HydrophobicContact CD1-CE2 3.49Å; I698-F710 VanDerWaalsContact CD1-CE2 3.49Å; I698-F710 HydrophobicContact CG1-CE2 4.2Å; F710-V712 HydrophobicContact CE1-CG2 3.59Å; F710-V712 HydrophobicContact CZ-CG2 3.68Å; F710-M730 HydrophobicContact CD1-CE 3.94Å; F710-M730 HydrophobicContact CE1-CE 3.67Å; F710-K731 CarbonylContact O-C 3.57Å; F710-K731 VanDerWaalsContact O-CA 3.32Å; F710-K731 WeakPolarHBondContact O-CA 3.18Å; F710-C732 HydrophobicContact CB-CB 4.24Å; F710-C732 HydrophobicContact CD1-CB 4.33Å; F710-C732 PolarHBondContact N-O 3.36Å; F710-C732 PolarHBondContact O-N 3.07Å; F710-M743 HydrophobicContact CB-CE 3.58Å; F710-M743 HydrophobicContact CB-SD 3.78Å; F710-M743 HydrophobicContact CD1-CE 4.28Å; F710-M743 HydrophobicContact CD1-SD 4.43Å; F710-M743 HydrophobicContact CD2-CE 3.89Å; F710-M743 HydrophobicContact CG-CE 3.65Å; F710-M743 HydrophobicContact CG-SD 4.17Å
711	Q	95.8	Very high	94.7	Very high	34 Å²	34	37 Å²	37	16%	0.159	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	136.7	-176.5	-175.6	-179.4	-84.5	0	0	110.6	D639 L641 V713 I729 M730 K731	D639-Q711 HydrophobicContact CB-CB 4.36Å; D639-Q711 PolarHBondContact N-O 2.86Å; D639-Q711 PolarHBondContact O-N 3.26Å; L641-Q711 HydrophobicContact CD1-CB 4.32Å; Q711-V713 HydrophobicContact CG-CG2 4.03Å; Q711-I729 HydrophobicContact CG-CG2 3.95Å; Q711-M730 VanDerWaalsContact CA-O 3.31Å; Q711-M730 WeakPolarHBondContact CA-O 3.47Å; Q711-K731 HydrophobicContact CG-CG 4.31Å
712	V	95.6	Very high	94.8	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	131.6	168.1	178.1	0	0	0	0	108	L552 F599 H637 Y638 F710 I729 M730	L552-V712 HydrophobicContact CD1-CG1 4.5Å; L552-V712 HydrophobicContact CD2-CB 3.72Å; L552-V712 HydrophobicContact CD2-CG1 3.73Å; L552-V712 HydrophobicContact CD2-CG2 4.16Å; F599-V712 HydrophobicContact CE2-CG2 4.09Å; F599-V712 HydrophobicContact CZ-CG2 4.39Å; H637-V712 WeakPolarHBondContact O-CA 3.16Å; Y638-V712 HydrophobicContact CD1-CB 4.38Å; Y638-V712 HydrophobicContact CD1-CG1 3.86Å; Y638-V712 HydrophobicContact CD1-CG2 3.93Å; Y638-V712 HydrophobicContact CE1-CG1 3.78Å; Y638-V712 HydrophobicContact CE1-CG2 4.34Å; F710-V712 HydrophobicContact CE1-CG2 3.59Å; F710-V712 HydrophobicContact CZ-CG2 3.68Å; V712-I729 WeakPolarHBondContact O-CA 3.2Å; V712-M730 HydrophobicContact CB-CE 4.02Å; V712-M730 HydrophobicContact CG2-CE 3.76Å; V712-M730 PolarHBondContact N-O 3.43Å; V712-M730 PolarHBondContact O-N 3.01Å
713	V	95.3	Very high	94.9	Very high	19 Å²	19	31.1 Å²	31.1	12%	0.115	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	122	175.5	-172.3	0	0	0	0	108.9	T636 H637 Q711 P716 N728 I729	T636-V713 CarbonylContact C-O 3.54Å; T636-V713 WeakPolarHBondContact CA-O 3.46Å; H637-V713 HydrophobicContact CB-CB 4.41Å; H637-V713 PolarHBondContact N-O 2.78Å; H637-V713 PolarHBondContact O-N 2.9Å; Q711-V713 HydrophobicContact CG-CG2 4.03Å; V713-P716 HydrophobicContact CB-CB 4.26Å; V713-P716 HydrophobicContact CG1-CB 3.74Å; V713-N728 WeakPolarHBondContact CA-O 3.1Å; V713-I729 HydrophobicContact CG1-CG1 4.06Å; V713-I729 HydrophobicContact CG2-CG1 4.18Å; V713-I729 HydrophobicContact CG2-CG2 4.47Å
714	I	95.2	Very high	94.9	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	143	176.2	-61.7	161.8	0	0	0	110	L550 L552 I603 F635 T636 P716 N728	L550-I714 HydrophobicContact CB-CG2 3.94Å; L550-I714 HydrophobicContact CD1-CG2 3.77Å; L552-I714 HydrophobicContact CB-CD1 3.64Å; L552-I714 HydrophobicContact CD1-CD1 4.05Å; L552-I714 HydrophobicContact CG-CD1 4.42Å; I603-I714 HydrophobicContact CB-CD1 4.45Å; I603-I714 HydrophobicContact CG1-CD1 3.81Å; I603-I714 HydrophobicContact CG1-CG1 4.27Å; I603-I714 HydrophobicContact CG2-CD1 3.95Å; I603-I714 HydrophobicContact CG2-CG2 4.37Å; F635-I714 HydrophobicContact CE1-CG2 4.42Å; F635-I714 HydrophobicContact CE2-CG2 4.11Å; F635-I714 HydrophobicContact CZ-CG2 3.99Å; F635-I714 CarbonylContact O-C 3.55Å; T636-I714 HydrophobicContact CG2-CG1 4.23Å; I714-P716 VanDerWaalsContact C-N 3.3Å; I714-N728 PolarHBondContact N-O 2.87Å; I714-N728 WeakPolarHBondContact O-CB 3.49Å; I714-N728 PolarHBondContact O-ND2 3.06Å
715	N	94.3	Very high	94.9	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.164	C	C	.	.	S	Bend	trans	44.1	51.7	-177.4	-172.4	16.9	0	0	0	112.4	F635 N717 F718 E719 V720 E722	F635-N715 PolarHBondContact O-N 2.89Å; N715-N717 PolarHBondContact O-N 2.87Å; N715-F718 PolarHBondContact O-N 2.85Å; N715-E719 PolarHBondContact OD1-N 3.49Å; N715-V720 PolarHBondContact ND2-O 2.84Å; N715-E722 VanDerWaalsContact CB-OE1 3.26Å; N715-E722 WeakPolarHBondContact CB-OE1 3.3Å; N715-E722 PolarHBondContact ND2-OE1 3.04Å
716	P	92.8	Very high	94.7	Very high	23 Å²	23	28.7 Å²	28.7	15%	0.149	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-23.7	-165	25.8	-36.1	0	0	0	114	V634 F635 H637 V713 I714	V634-P716 HydrophobicContact CG1-CG 3.99Å; F635-P716 WeakPolarHBondContact O-CD 3.2Å; H637-P716 WeakPolarHBondContact CD2-CB 3.41Å; H637-P716 VanDerWaalsContact CD2-CG 3.48Å; H637-P716 WeakPolarHBondContact CD2-CG 3.46Å; V713-P716 HydrophobicContact CB-CB 4.26Å; V713-P716 HydrophobicContact CG1-CB 3.74Å; I714-P716 VanDerWaalsContact C-N 3.3Å
717	N	91.4	Very high	94.8	Very high	85 Å²	85	28.3 Å²	28.3	46%	0.455	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	1.3	-177.5	-67.7	-29.2	0	0	0	113.3	N715 E719	N715-N717 PolarHBondContact O-N 2.87Å; N717-E719 HydrophobicContact CB-CG 3.78Å; N717-E719 PolarHBondContact ND2-OE1 2.93Å; N717-E719 PolarHBondContact O-N 3.26Å
718	F	93.4	Very high	95	Very high	91 Å²	91	25.6 Å²	25.6	40%	0.399	14%	0.135	S	C	.	.			trans	54.3	41.5	-173.5	-46	-88.6	0	0	0	111.7	I470 V471 N715 Y725	I470-F718 HydrophobicContact CG2-CB 3.72Å; I470-F718 WeakPolarHBondContact CG2-O 3.21Å; V471-F718 HydrophobicContact CG2-CD1 4.37Å; V471-F718 HydrophobicContact CG2-CG 4.38Å; N715-F718 PolarHBondContact O-N 2.85Å; F718-Y725 HydrophobicContact CB-CE1 4.44Å; F718-Y725 AromaticContact CD1-CD1 3.5Å; F718-Y725 HydrophobicContact CD1-CD1 3.5Å; F718-Y725 VanDerWaalsContact CD1-CD1 3.5Å; F718-Y725 AromaticContact CD1-CD2 3.81Å; F718-Y725 HydrophobicContact CD1-CD2 3.81Å; F718-Y725 AromaticContact CD1-CE1 3.64Å; F718-Y725 HydrophobicContact CD1-CE1 3.64Å; F718-Y725 AromaticContact CD1-CE2 3.96Å; F718-Y725 HydrophobicContact CD1-CE2 3.96Å; F718-Y725 AromaticContact CD1-CG 3.57Å; F718-Y725 HydrophobicContact CD1-CG 3.57Å; F718-Y725 AromaticContact CD1-CZ 3.87Å; F718-Y725 AromaticContact CE1-CD1 3.86Å; F718-Y725 HydrophobicContact CE1-CD1 3.86Å; F718-Y725 HydrophobicContact CE1-CD2 4.08Å; F718-Y725 HydrophobicContact CE1-CE1 4.45Å; F718-Y725 AromaticContact CE1-CG 3.63Å; F718-Y725 HydrophobicContact CE1-CG 3.63Å
719	E	89.7	Confident	95.1	Very high	67 Å²	67	27.5 Å²	27.5	31%	0.313	15%	0.145	S	C	.	.			trans	-72.2	-35	-175.4	-79.9	176	-145.9	0	0	112.1	M632 N715 N717	M632-E719 HydrophobicContact CE-CB 4.45Å; N715-E719 PolarHBondContact OD1-N 3.49Å; N717-E719 HydrophobicContact CB-CG 3.78Å; N717-E719 PolarHBondContact ND2-OE1 2.93Å; N717-E719 PolarHBondContact O-N 3.26Å
720	V	94.7	Very high	95.1	Very high	16 Å²	16	26.9 Å²	26.9	10%	0.097	14%	0.142	C	C	.	.	S	Bend	trans	-113	144	175.6	-178.1	0	0	0	0	109.2	F611 R612 K614 M632 N715 Y725	F611-V720 HydrophobicContact CD2-CB 4.47Å; F611-V720 HydrophobicContact CD2-CG1 3.88Å; F611-V720 HydrophobicContact CE1-CG2 4.46Å; F611-V720 HydrophobicContact CE2-CB 3.52Å; F611-V720 HydrophobicContact CE2-CG1 3.39Å; F611-V720 HydrophobicContact CE2-CG2 4.21Å; F611-V720 HydrophobicContact CZ-CB 3.6Å; F611-V720 HydrophobicContact CZ-CG1 3.79Å; F611-V720 HydrophobicContact CZ-CG2 3.77Å; R612-V720 WeakPolarHBondContact O-CG1 3.36Å; K614-V720 HydrophobicContact CB-CG2 4.28Å; M632-V720 HydrophobicContact CE-CG2 4.23Å; M632-V720 HydrophobicContact SD-CG2 4.13Å; N715-V720 PolarHBondContact ND2-O 2.84Å; V720-Y725 PolarHBondContact O-OH 3.14Å
721	A	96.5	Very high	95.1	Very high	7 Å²	7	28.8 Å²	28.8	6%	0.058	15%	0.15	C	C	.	.			trans	-66.8	135	177.6	0	0	0	0	0	112	I470 M474 A485 P548 Y725	I470-A721 HydrophobicContact CD1-CB 4.31Å; I470-A721 HydrophobicContact CG1-CB 4.03Å; M474-A721 HydrophobicContact CE-CB 3.97Å; A485-A721 WeakPolarHBondContact O-CB 3.29Å; P548-A721 WeakPolarHBondContact CD-O 3.32Å; P548-A721 WeakPolarHBondContact CG-O 3.3Å; A721-Y725 VanDerWaalsContact CA-OH 3.25Å; A721-Y725 WeakPolarHBondContact CA-OH 3.37Å
722	E	98	Very high	95.1	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.009	14%	0.143	C	C	.	.			trans	-134.7	158.5	171.9	-60.5	-179	-111.5	0	0	110.5	M474 P548 L550 F611 N715 D724 Y725 N728	M474-E722 WeakPolarHBondContact CE-O 3.35Å; P548-E722 HydrophobicContact CG-CG 4.47Å; P548-E722 CarbonylContact O-C 3.22Å; P548-E722 WeakPolarHBondContact O-CA 3.49Å; P548-E722 WeakPolarHBondContact O-CB 3.49Å; L550-E722 WeakPolarHBondContact CA-OE2 3.47Å; L550-E722 WeakPolarHBondContact CB-OE2 3.45Å; L550-E722 WeakPolarHBondContact CG-OE2 3.45Å; L550-E722 PolarHBondContact N-OE2 3.41Å; F611-E722 HydrophobicContact CE2-CG 4.37Å; N715-E722 VanDerWaalsContact CB-OE1 3.26Å; N715-E722 WeakPolarHBondContact CB-OE1 3.3Å; N715-E722 PolarHBondContact ND2-OE1 3.04Å; E722-D724 WeakPolarHBondContact CB-O 3.43Å; E722-Y725 HydrophobicContact CB-CD1 3.99Å; E722-Y725 HydrophobicContact CB-CE1 3.57Å; E722-Y725 HydrophobicContact CB-CE2 4.47Å; E722-Y725 HydrophobicContact CG-CD1 4.32Å; E722-Y725 HydrophobicContact CG-CE1 3.72Å; E722-Y725 PolarHBondContact N-OH 3.16Å; E722-Y725 WeakPolarHBondContact OE1-CE1 3.28Å; E722-N728 PolarHBondContact OE1-ND2 3.31Å
723	S	96.5	Very high	95	Very high	18 Å²	18	27.3 Å²	27.3	13%	0.126	14%	0.143	C	C	.	.	S	Bend	trans	-79	-29.1	-179.8	78.2	0	0	0	0	113	G330 P548 D549	G330-S723 WeakPolarHBondContact CA-OG 3.39Å; P548-S723 PolarHBondContact O-N 2.83Å; D549-S723 WeakPolarHBondContact CB-OG 3.41Å
724	D	96.1	Very high	95	Very high	22 Å²	22	26.5 Å²	26.5	12%	0.118	14%	0.138	C	C	.	.			trans	-136.2	143.8	169.3	-169.8	10.9	0	0	0	108.6	R329 E722 S726 N727 N728	R329-D724 WeakPolarHBondContact CD-OD2 3.49Å; R329-D724 IonicContact NE-OD2 3.88Å; R329-D724 PolarHBondContact NE-OD2 3.1Å; E722-D724 WeakPolarHBondContact CB-O 3.43Å; D724-S726 VanDerWaalsContact CG-OG 3.25Å; D724-S726 VanDerWaalsContact OD1-CB 3.27Å; D724-S726 WeakPolarHBondContact OD1-CB 3.43Å; D724-S726 PolarHBondContact OD1-N 3.21Å; D724-S726 PolarHBondContact OD1-OG 2.72Å; D724-S726 PolarHBondContact OD2-OG 2.8Å; D724-N727 PolarHBondContact O-OD1 3.38Å; D724-N728 PolarHBondContact O-OD1 2.96Å
725	Y	95.8	Very high	95	Very high	40 Å²	40	33.2 Å²	33.2	16%	0.157	16%	0.164	C	C	.	.	S	Bend	trans	-118.6	-5.7	171.4	-66.6	-71.9	0	0	0	111.9	I470 F718 V720 A721 E722 N727 N728	I470-Y725 HydrophobicContact CG2-CE2 4.37Å; I470-Y725 WeakPolarHBondContact CG2-OH 3.49Å; F718-Y725 HydrophobicContact CB-CE1 4.44Å; F718-Y725 AromaticContact CD1-CD1 3.5Å; F718-Y725 HydrophobicContact CD1-CD1 3.5Å; F718-Y725 VanDerWaalsContact CD1-CD1 3.5Å; F718-Y725 AromaticContact CD1-CD2 3.81Å; F718-Y725 HydrophobicContact CD1-CD2 3.81Å; F718-Y725 AromaticContact CD1-CE1 3.64Å; F718-Y725 HydrophobicContact CD1-CE1 3.64Å; F718-Y725 AromaticContact CD1-CE2 3.96Å; F718-Y725 HydrophobicContact CD1-CE2 3.96Å; F718-Y725 AromaticContact CD1-CG 3.57Å; F718-Y725 HydrophobicContact CD1-CG 3.57Å; F718-Y725 AromaticContact CD1-CZ 3.87Å; F718-Y725 AromaticContact CE1-CD1 3.86Å; F718-Y725 HydrophobicContact CE1-CD1 3.86Å; F718-Y725 HydrophobicContact CE1-CD2 4.08Å; F718-Y725 HydrophobicContact CE1-CE1 4.45Å; F718-Y725 AromaticContact CE1-CG 3.63Å; F718-Y725 HydrophobicContact CE1-CG 3.63Å; V720-Y725 PolarHBondContact O-OH 3.14Å; A721-Y725 VanDerWaalsContact CA-OH 3.25Å; A721-Y725 WeakPolarHBondContact CA-OH 3.37Å; E722-Y725 HydrophobicContact CB-CD1 3.99Å; E722-Y725 HydrophobicContact CB-CE1 3.57Å; E722-Y725 HydrophobicContact CB-CE2 4.47Å; E722-Y725 HydrophobicContact CG-CD1 4.32Å; E722-Y725 HydrophobicContact CG-CE1 3.72Å; E722-Y725 PolarHBondContact N-OH 3.16Å; E722-Y725 WeakPolarHBondContact OE1-CE1 3.28Å; Y725-N727 PolarHBondContact O-N 2.81Å; Y725-N728 WeakPolarHBondContact CA-OD1 3.44Å; Y725-N728 PolarHBondContact O-N 3.25Å
726	S	94.5	Very high	95.1	Very high	54 Å²	54	33.8 Å²	33.8	38%	0.378	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-20.2	-176	74.9	0	0	0	0	112.7	R329 D724 G749	R329-S726 PolarHBondContact NE-OG 2.98Å; D724-S726 VanDerWaalsContact CG-OG 3.25Å; D724-S726 VanDerWaalsContact OD1-CB 3.27Å; D724-S726 WeakPolarHBondContact OD1-CB 3.43Å; D724-S726 PolarHBondContact OD1-N 3.21Å; D724-S726 PolarHBondContact OD1-OG 2.72Å; D724-S726 PolarHBondContact OD2-OG 2.8Å; S726-G749 VanDerWaalsContact O-O 3.09Å
727	N	96.6	Very high	95.2	Very high	16 Å²	16	35.4 Å²	35.4	9%	0.086	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-0.9	178.9	54.3	-16.6	0	0	0	114.1	D549 V551 D724 Y725 I729 I748	D549-N727 PolarHBondContact OD1-ND2 3Å; D549-N727 PolarHBondContact OD1-OD1 2.84Å; D549-N727 PolarHBondContact OD2-ND2 2.82Å; V551-N727 HydrophobicContact CG2-CB 4.25Å; V551-N727 WeakPolarHBondContact CG2-ND2 3.31Å; D724-N727 PolarHBondContact O-OD1 3.38Å; Y725-N727 PolarHBondContact O-N 2.81Å; N727-I729 PolarHBondContact O-N 3.34Å; N727-I748 HydrophobicContact CB-CG2 3.83Å; N727-I748 WeakPolarHBondContact O-CG2 3.35Å
728	N	96.8	Very high	95.3	Very high	7 Å²	7	31.9 Å²	31.9	4%	0.037	16%	0.157	C	C	.	.	S	Bend	trans	-73.3	-9.2	179.7	-73.5	45.9	0	0	0	114.2	V713 I714 E722 D724 Y725	V713-N728 WeakPolarHBondContact CA-O 3.1Å; I714-N728 PolarHBondContact N-O 2.87Å; I714-N728 WeakPolarHBondContact O-CB 3.49Å; I714-N728 PolarHBondContact O-ND2 3.06Å; E722-N728 PolarHBondContact OE1-ND2 3.31Å; D724-N728 PolarHBondContact O-OD1 2.96Å; Y725-N728 WeakPolarHBondContact CA-OD1 3.44Å; Y725-N728 PolarHBondContact O-N 3.25Å
729	I	96.5	Very high	95.3	Very high	59 Å²	59	34.8 Å²	34.8	30%	0.303	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	130.7	-178.6	-58	176.3	0	0	0	108.6	Q711 V712 V713 N727 K731 G749	Q711-I729 HydrophobicContact CG-CG2 3.95Å; V712-I729 WeakPolarHBondContact O-CA 3.2Å; V713-I729 HydrophobicContact CG1-CG1 4.06Å; V713-I729 HydrophobicContact CG2-CG1 4.18Å; V713-I729 HydrophobicContact CG2-CG2 4.47Å; N727-I729 PolarHBondContact O-N 3.34Å; I729-K731 HydrophobicContact CG2-CG 4.15Å; I729-G749 PolarHBondContact O-N 3.05Å
730	M	96.6	Very high	95.6	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	139.2	168.8	-174.9	-74.3	-59.7	0	0	109.2	L552 A554 V557 F710 Q711 V712 C732 C746 H747 I748	L552-M730 HydrophobicContact CB-CB 4.22Å; L552-M730 HydrophobicContact CD2-CB 3.64Å; L552-M730 HydrophobicContact CD2-CE 3.67Å; L552-M730 HydrophobicContact CD2-CG 3.9Å; A554-M730 HydrophobicContact CB-CG 3.65Å; A554-M730 HydrophobicContact CB-SD 4.34Å; V557-M730 HydrophobicContact CB-CE 4.14Å; V557-M730 HydrophobicContact CG1-CE 3.75Å; V557-M730 HydrophobicContact CG2-CE 3.97Å; F710-M730 HydrophobicContact CD1-CE 3.94Å; F710-M730 HydrophobicContact CE1-CE 3.67Å; Q711-M730 VanDerWaalsContact CA-O 3.31Å; Q711-M730 WeakPolarHBondContact CA-O 3.47Å; V712-M730 HydrophobicContact CB-CE 4.02Å; V712-M730 HydrophobicContact CG2-CE 3.76Å; V712-M730 PolarHBondContact N-O 3.43Å; V712-M730 PolarHBondContact O-N 3.01Å; M730-C732 PolarHBondContact SD-SG 2.66Å; M730-C746 HydrophobicContact SD-CB 4.31Å; M730-H747 WeakPolarHBondContact CA-O 3.41Å; M730-H747 WeakPolarHBondContact CG-O 3.47Å; M730-I748 HydrophobicContact CB-CD1 3.93Å; M730-I748 HydrophobicContact CG-CD1 3.91Å
731	K	95.8	Very high	95.6	Very high	40 Å²	40	39.1 Å²	39.1	17%	0.174	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141.9	177.4	-64.1	178.6	-175.2	170.5	0	111.7	F710 Q711 I729 C746 H747 F760	F710-K731 CarbonylContact O-C 3.57Å; F710-K731 VanDerWaalsContact O-CA 3.32Å; F710-K731 WeakPolarHBondContact O-CA 3.18Å; Q711-K731 HydrophobicContact CG-CG 4.31Å; I729-K731 HydrophobicContact CG2-CG 4.15Å; K731-C746 CarbonylContact O-C 3.57Å; K731-C746 VanDerWaalsContact O-CA 3.3Å; K731-C746 WeakPolarHBondContact O-CA 3.35Å; K731-H747 PolarHBondContact N-O 2.98Å; K731-H747 PolarHBondContact O-N 3.09Å; K731-H747 PolarHBondContact O-ND1 2.92Å; K731-F760 HydrophobicContact CB-CE1 4.08Å; K731-F760 HydrophobicContact CB-CZ 4.01Å; K731-F760 HydrophobicContact CD-CE1 4.36Å
732	C	95.4	Very high	95.5	Very high	0 Å²	0	44 Å²	44	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	151.3	168.3	-51.6	0	0	0	0	110.4	L709 F710 M730 M743 C746	L709-C732 WeakPolarHBondContact CA-O 3.46Å; F710-C732 HydrophobicContact CB-CB 4.24Å; F710-C732 HydrophobicContact CD1-CB 4.33Å; F710-C732 PolarHBondContact N-O 3.36Å; F710-C732 PolarHBondContact O-N 3.07Å; M730-C732 PolarHBondContact SD-SG 2.66Å; C732-M743 HydrophobicContact CB-SD 3.85Å; C732-C746 HydrophobicContact CB-CB 4.08Å; C732-C746 WeakPolarHBondContact CB-SG 3.36Å; C732-C746 VanDerWaalsContact SG-CA 3.54Å; C732-C746 WeakPolarHBondContact SG-CB 3.33Å; C732-C746 CovalentContact SG-SG 2.02Å; C732-C746 PolarHBondContact SG-SG 2.83Å
733	R	94.1	Very high	95.4	Very high	5 Å²	5	44.9 Å²	44.9	2%	0.019	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	138.6	158.3	-83.6	-146.6	178.7	-139.8	1.6	109.3	L709 M743 Y744 F760 E761 F763	L709-R733 HydrophobicContact CD2-CG 4.14Å; R733-M743 WeakPolarHBondContact O-CA 3.47Å; R733-Y744 HydrophobicContact CB-CD1 4.22Å; R733-Y744 HydrophobicContact CB-CD2 3.92Å; R733-Y744 HydrophobicContact CB-CE1 3.86Å; R733-Y744 HydrophobicContact CB-CE2 3.56Å; R733-Y744 HydrophobicContact CB-CG 4.26Å; R733-Y744 HydrophobicContact CG-CE2 4.2Å; R733-Y744 PolarHBondContact N-O 2.79Å; R733-Y744 PolarHBondContact O-N 2.81Å; R733-F760 HydrophobicContact CB-CE2 4.23Å; R733-F760 HydrophobicContact CG-CD2 4.16Å; R733-F760 HydrophobicContact CG-CE2 3.65Å; R733-F760 HydrophobicContact CG-CZ 4Å; R733-F760 VanDerWaalsContact CZ-O 3.23Å; R733-F760 PolarHBondContact NE-O 3.46Å; R733-F760 PolarHBondContact NH2-O 3.47Å; R733-E761 PolarHBondContact NH2-O 3.05Å; R733-F763 VanDerWaalsContact CZ-C 3.49Å; R733-F763 PolarHBondContact NE-O 2.82Å; R733-F763 PolarHBondContact NH2-O 3.06Å; R733-F763 VanDerWaalsContact NH2-O 3.11Å
734	S	94.6	Very high	95.2	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.007	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	131.4	178.2	-176.4	0	0	0	0	110.1	Y708 I741 W742 M743	Y708-S734 PolarHBondContact N-O 3.39Å; Y708-S734 PolarHBondContact O-N 3.44Å; S734-I741 WeakPolarHBondContact OG-CD1 3.29Å; S734-I741 VanDerWaalsContact OG-CG1 3.29Å; S734-I741 WeakPolarHBondContact OG-CG1 3.4Å; S734-W742 VanDerWaalsContact CA-O 3.32Å; S734-W742 WeakPolarHBondContact CA-O 3.22Å; S734-M743 VanDerWaalsContact CB-SD 3.51Å; S734-M743 WeakPolarHBondContact OG-CE 3.41Å
735	R	95.3	Very high	95.1	Very high	143 Å²	143	45.5 Å²	45.5	54%	0.54	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	122.7	170.5	-175.6	170	-176.1	-177.6	2.5	109.4	D707 I741 W742 Y744	D707-R735 WeakPolarHBondContact OD1-CD 3.43Å; D707-R735 VanDerWaalsContact OD1-CG 3.32Å; D707-R735 WeakPolarHBondContact OD1-CG 3.39Å; D707-R735 IonicContact OD1-NE 2.77Å; R735-I741 CarbonylContact O-C 3.57Å; R735-I741 VanDerWaalsContact O-CA 3.3Å; R735-I741 WeakPolarHBondContact O-CA 3.5Å; R735-W742 HydrophobicContact CB-CE3 4.32Å; R735-W742 HydrophobicContact CG-CE3 4.36Å; R735-W742 PolarHBondContact N-O 2.9Å; R735-W742 PolarHBondContact O-N 2.86Å; R735-Y744 HydrophobicContact CB-CE1 4.29Å
736	Y	96.6	Very high	95.1	Very high	13 Å²	13	44.5 Å²	44.5	5%	0.051	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	120	-178	175.1	-130.7	0	0	0	110.2	L563 R595 I700 V703 P704 P705 G706 R740 I741	L563-Y736 HydrophobicContact CD1-CD2 4.08Å; L563-Y736 HydrophobicContact CD1-CE2 3.71Å; R595-Y736 WeakPolarHBondContact CD-OH 3.24Å; R595-Y736 PolarHBondContact NH1-OH 2.83Å; I700-Y736 HydrophobicContact CD1-CD2 4.41Å; I700-Y736 HydrophobicContact CD1-CE1 4.47Å; I700-Y736 HydrophobicContact CD1-CE2 4.1Å; V703-Y736 WeakPolarHBondContact O-CE1 3.41Å; P704-Y736 WeakPolarHBondContact O-CD1 3.33Å; P705-Y736 CarbonylContact C-O 3.59Å; P705-Y736 VanDerWaalsContact CA-O 3.24Å; P705-Y736 WeakPolarHBondContact CA-O 3.32Å; P705-Y736 WeakPolarHBondContact CB-O 3.37Å; G706-Y736 PolarHBondContact N-O 2.78Å; G706-Y736 PolarHBondContact O-N 2.69Å; Y736-R740 WeakPolarHBondContact CD2-O 3.45Å; Y736-I741 HydrophobicContact CD2-CB 4.42Å
737	D	95	Very high	95.1	Very high	56 Å²	56	42.3 Å²	42.3	30%	0.299	19%	0.188	S	C	.	.			trans	-96.2	2.6	-179	72.4	2.4	0	0	0	113.9	H739 R740 W742	D737-H739 WeakPolarHBondContact OD1-CA 3.47Å; D737-H739 PolarHBondContact OD1-N 2.88Å; D737-R740 PolarHBondContact N-O 2.84Å; D737-R740 VanDerWaalsContact N-O 3.08Å; D737-R740 PolarHBondContact OD1-N 3.43Å; D737-R740 VanDerWaalsContact OD1-O 3.13Å; D737-R740 IonicContact OD2-CZ 3.41Å; D737-R740 IonicContact OD2-NE 2.85Å; D737-R740 IonicContact OD2-NH2 3.17Å; D737-R740 PolarHBondContact OD2-NH2 3.08Å; D737-W742 HydrophobicContact CB-CH2 4.3Å; D737-W742 HydrophobicContact CB-CZ3 3.93Å; D737-W742 WeakPolarHBondContact OD2-CH2 3.44Å
738	G	93.1	Very high	95.2	Very high	12 Å²	12	42.2 Å²	42.2	12%	0.124	19%	0.188	C	C	.	.	S	Bend	trans	89.8	-5.5	-173.2	0	0	0	0	0	114.5	R595	R595-G738 PolarHBondContact NH1-O 2.67Å
739	H	93.9	Very high	94.8	Very high	152 Å²	152	42.5 Å²	42.5	70%	0.704	19%	0.192	S	C	*	.	S	Bend	trans	-132.9	-33.1	177.4	-61.8	-67.9	0	0	0	112.8	D737	D737-H739 WeakPolarHBondContact OD1-CA 3.47Å; D737-H739 PolarHBondContact OD1-N 2.88Å
740	R	94.3	Very high	94.4	Very high	153 Å²	153	41.2 Å²	41.2	58%	0.577	19%	0.193	S	C	*	.			trans	-137.9	159.5	-179	-67	174.3	-63	-178	1.5	109.3	Y736 D737 W742	Y736-R740 WeakPolarHBondContact CD2-O 3.45Å; D737-R740 PolarHBondContact N-O 2.84Å; D737-R740 VanDerWaalsContact N-O 3.08Å; D737-R740 PolarHBondContact OD1-N 3.43Å; D737-R740 VanDerWaalsContact OD1-O 3.13Å; D737-R740 IonicContact OD2-CZ 3.41Å; D737-R740 IonicContact OD2-NE 2.85Å; D737-R740 IonicContact OD2-NH2 3.17Å; D737-R740 PolarHBondContact OD2-NH2 3.08Å; R740-W742 HydrophobicContact CB-CH2 4.24Å; R740-W742 HydrophobicContact CB-CZ2 4.34Å
741	I	95.2	Very high	94.2	Very high	21 Å²	21	42.1 Å²	42.1	11%	0.108	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	141.8	174.1	-155.7	166	0	0	0	109.3	T561 L563 L597 S734 R735 Y736 M743	T561-I741 HydrophobicContact CG2-CG2 4.1Å; L563-I741 HydrophobicContact CD1-CB 4.17Å; L563-I741 HydrophobicContact CD1-CG2 4.41Å; L563-I741 HydrophobicContact CD2-CB 4.12Å; L563-I741 HydrophobicContact CD2-CD1 4.48Å; L563-I741 HydrophobicContact CD2-CG2 3.8Å; L563-I741 HydrophobicContact CG-CB 4.09Å; L563-I741 HydrophobicContact CG-CG2 3.79Å; L597-I741 HydrophobicContact CD1-CD1 3.69Å; L597-I741 HydrophobicContact CD1-CG2 3.75Å; L597-I741 HydrophobicContact CD2-CD1 3.86Å; L597-I741 HydrophobicContact CG-CD1 4.37Å; S734-I741 WeakPolarHBondContact OG-CD1 3.29Å; S734-I741 VanDerWaalsContact OG-CG1 3.29Å; S734-I741 WeakPolarHBondContact OG-CG1 3.4Å; R735-I741 CarbonylContact O-C 3.57Å; R735-I741 VanDerWaalsContact O-CA 3.3Å; R735-I741 WeakPolarHBondContact O-CA 3.5Å; Y736-I741 HydrophobicContact CD2-CB 4.42Å; I741-M743 HydrophobicContact CD1-CE 4.13Å
742	W	95.4	Very high	94	Very high	109 Å²	109	41.9 Å²	41.9	41%	0.413	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	120.7	172.4	-63.4	-87.5	0	0	0	109	S734 R735 D737 R740 Y744	S734-W742 VanDerWaalsContact CA-O 3.32Å; S734-W742 WeakPolarHBondContact CA-O 3.22Å; R735-W742 HydrophobicContact CB-CE3 4.32Å; R735-W742 HydrophobicContact CG-CE3 4.36Å; R735-W742 PolarHBondContact N-O 2.9Å; R735-W742 PolarHBondContact O-N 2.86Å; D737-W742 HydrophobicContact CB-CH2 4.3Å; D737-W742 HydrophobicContact CB-CZ3 3.93Å; D737-W742 WeakPolarHBondContact OD2-CH2 3.44Å; R740-W742 HydrophobicContact CB-CH2 4.24Å; R740-W742 HydrophobicContact CB-CZ2 4.34Å; W742-Y744 HydrophobicContact CB-CD1 4.47Å
743	M	95.1	Very high	93.7	Very high	21 Å²	21	42.3 Å²	42.3	10%	0.103	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	131.9	167.2	-71.6	-61.7	174.9	0	0	109.7	Q558 T561 L597 F710 C732 R733 S734 I741	Q558-M743 HydrophobicContact CG-CB 4.44Å; T561-M743 HydrophobicContact CG2-CB 4.5Å; T561-M743 HydrophobicContact CG2-CE 4.22Å; T561-M743 HydrophobicContact CG2-CG 3.54Å; L597-M743 HydrophobicContact CD1-CE 4.21Å; L597-M743 HydrophobicContact CD2-CE 3.76Å; L597-M743 HydrophobicContact CG-CE 4.5Å; F710-M743 HydrophobicContact CB-CE 3.58Å; F710-M743 HydrophobicContact CB-SD 3.78Å; F710-M743 HydrophobicContact CD1-CE 4.28Å; F710-M743 HydrophobicContact CD1-SD 4.43Å; F710-M743 HydrophobicContact CD2-CE 3.89Å; F710-M743 HydrophobicContact CG-CE 3.65Å; F710-M743 HydrophobicContact CG-SD 4.17Å; C732-M743 HydrophobicContact CB-SD 3.85Å; R733-M743 WeakPolarHBondContact O-CA 3.47Å; S734-M743 VanDerWaalsContact CB-SD 3.51Å; S734-M743 WeakPolarHBondContact OG-CE 3.41Å; I741-M743 HydrophobicContact CD1-CE 4.13Å
744	Y	93.4	Very high	93.4	Very high	30 Å²	30	48.5 Å²	48.5	12%	0.118	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	158.4	180	59.8	-81.9	0	0	0	111.8	R733 R735 W742 C746 S764 L766	R733-Y744 HydrophobicContact CB-CD1 4.22Å; R733-Y744 HydrophobicContact CB-CD2 3.92Å; R733-Y744 HydrophobicContact CB-CE1 3.86Å; R733-Y744 HydrophobicContact CB-CE2 3.56Å; R733-Y744 HydrophobicContact CB-CG 4.26Å; R733-Y744 HydrophobicContact CG-CE2 4.2Å; R733-Y744 PolarHBondContact N-O 2.79Å; R733-Y744 PolarHBondContact O-N 2.81Å; R735-Y744 HydrophobicContact CB-CE1 4.29Å; W742-Y744 HydrophobicContact CB-CD1 4.47Å; Y744-C746 PolarHBondContact O-N 3.08Å; Y744-S764 PolarHBondContact OH-O 2.73Å; Y744-L766 HydrophobicContact CD2-CD2 3.9Å; Y744-L766 HydrophobicContact CG-CD2 4.11Å
745	N	93.1	Very high	93	Very high	23 Å²	23	54.2 Å²	54.2	12%	0.123	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	52.8	39.3	-173.7	-53.7	-32.2	0	0	0	111.8	Q558 H747 F760 G765 L767	Q558-N745 VanDerWaalsContact OE1-N 3.13Å; N745-H747 PolarHBondContact O-N 2.93Å; N745-H747 PolarHBondContact O-ND1 2.79Å; N745-F760 HydrophobicContact CB-CD2 3.93Å; N745-F760 HydrophobicContact CB-CE2 4.02Å; N745-F760 WeakPolarHBondContact O-CE2 3.37Å; N745-G765 PolarHBondContact ND2-O 3.21Å; N745-L767 HydrophobicContact CB-CD1 4.19Å; N745-L767 PolarHBondContact OD1-N 3.48Å
746	C	95.4	Very high	92.6	Very high	18 Å²	18	48.7 Å²	48.7	12%	0.122	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	129	172.5	-67.3	0	0	0	0	109.9	A554 Q558 M730 K731 C732 Y744	A554-C746 HydrophobicContact CB-CB 4.29Å; A554-C746 WeakPolarHBondContact O-CB 3.36Å; Q558-C746 HydrophobicContact CB-CB 3.9Å; Q558-C746 VanDerWaalsContact CB-SG 3.56Å; Q558-C746 HydrophobicContact CG-CB 4.3Å; M730-C746 HydrophobicContact SD-CB 4.31Å; K731-C746 CarbonylContact O-C 3.57Å; K731-C746 VanDerWaalsContact O-CA 3.3Å; K731-C746 WeakPolarHBondContact O-CA 3.35Å; C732-C746 HydrophobicContact CB-CB 4.08Å; C732-C746 WeakPolarHBondContact CB-SG 3.36Å; C732-C746 VanDerWaalsContact SG-CA 3.54Å; C732-C746 WeakPolarHBondContact SG-CB 3.33Å; C732-C746 CovalentContact SG-SG 2.02Å; C732-C746 PolarHBondContact SG-SG 2.83Å; Y744-C746 PolarHBondContact O-N 3.08Å
747	H	95.7	Very high	92.1	Very high	8 Å²	8	49.4 Å²	49.4	4%	0.037	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	163.5	-179.2	63.4	-71.1	0	0	0	111	M730 K731 N745 F752 E757 F760	M730-H747 WeakPolarHBondContact CA-O 3.41Å; M730-H747 WeakPolarHBondContact CG-O 3.47Å; K731-H747 PolarHBondContact N-O 2.98Å; K731-H747 PolarHBondContact O-N 3.09Å; K731-H747 PolarHBondContact O-ND1 2.92Å; N745-H747 PolarHBondContact O-N 2.93Å; N745-H747 PolarHBondContact O-ND1 2.79Å; H747-F752 HydrophobicContact CB-CD2 4.38Å; H747-F752 HydrophobicContact CB-CE2 3.73Å; H747-F752 HydrophobicContact CB-CZ 4.07Å; H747-F752 AromaticContact CD2-CD2 3.37Å; H747-F752 WeakPolarHBondContact CD2-CD2 3.39Å; H747-F752 AromaticContact CD2-CE2 3.54Å; H747-F752 AromaticContact CG-CD2 3.75Å; H747-F752 AromaticContact CG-CE2 3.38Å; H747-F752 AromaticContact ND1-CE2 3.75Å; H747-F752 AromaticContact NE2-CD2 3.67Å; H747-F752 AromaticContact NE2-CE2 3.99Å; H747-E757 IonicContact CD2-OE2 3.68Å; H747-E757 IonicContact NE2-OE1 2.89Å; H747-E757 PolarHBondContact NE2-OE1 2.87Å; H747-E757 IonicContact NE2-OE2 3.91Å; H747-E757 PolarHBondContact NE2-OE2 2.58Å; H747-F760 AromaticContact CE1-CD1 3.82Å; H747-F760 AromaticContact CE1-CD2 3.55Å; H747-F760 AromaticContact CE1-CE1 3.88Å; H747-F760 AromaticContact CE1-CE2 3.59Å; H747-F760 AromaticContact CE1-CG 3.66Å; H747-F760 AromaticContact CE1-CZ 3.77Å
748	I	96.9	Very high	91.7	Very high	15 Å²	15	52.3 Å²	52.3	8%	0.077	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	137.3	175.2	-53	-55.9	0	0	0	109.6	V551 L552 A554 N727 M730 G750 S751	V551-I748 HydrophobicContact CG1-CD1 4.08Å; V551-I748 HydrophobicContact CG1-CG1 4.05Å; V551-I748 HydrophobicContact CG1-CG2 4.37Å; L552-I748 HydrophobicContact CB-CD1 4.34Å; L552-I748 WeakPolarHBondContact O-CD1 3.46Å; A554-I748 HydrophobicContact CB-CD1 4.02Å; N727-I748 HydrophobicContact CB-CG2 3.83Å; N727-I748 WeakPolarHBondContact O-CG2 3.35Å; M730-I748 HydrophobicContact CB-CD1 3.93Å; M730-I748 HydrophobicContact CG-CD1 3.91Å; I748-G750 PolarHBondContact O-N 3.37Å; I748-S751 VanDerWaalsContact O-CB 3.24Å; I748-S751 WeakPolarHBondContact O-CB 3.3Å; I748-S751 PolarHBondContact O-N 3.31Å; I748-S751 PolarHBondContact O-OG 2.8Å
749	G	88.9	Confident	91.3	Very high	13 Å²	13	56.4 Å²	56.4	13%	0.134	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	126.4	177	0	0	0	0	0	110.4	S726 I729 S751	S726-G749 VanDerWaalsContact O-O 3.09Å; I729-G749 PolarHBondContact O-N 3.05Å; G749-S751 VanDerWaalsContact C-N 3.29Å; G749-S751 PolarHBondContact O-N 3.12Å
750	G	87.9	Confident	90.8	Very high	31 Å²	31	49.2 Å²	49.2	32%	0.32	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	76	9.5	-177.9	0	0	0	0	0	115.1	R327 W347 I748 F752	R327-G750 PolarHBondContact NH1-O 3.19Å; R327-G750 PolarHBondContact NH2-O 2.7Å; W347-G750 VanDerWaalsContact CD1-O 3.29Å; I748-G750 PolarHBondContact O-N 3.37Å; G750-F752 VanDerWaalsContact C-N 3.26Å
751	S	92.1	Very high	90	Very high	21 Å²	21	45.8 Å²	45.8	15%	0.147	23%	0.225	C	C	.	.	S	Bend	trans	-73.6	-19.5	165.5	74.9	0	0	0	0	112.1	E346 W347 I748 G749	E346-S751 CarbonylContact C-O 3.57Å; E346-S751 WeakPolarHBondContact CA-O 3.27Å; W347-S751 WeakPolarHBondContact CB-O 3.1Å; W347-S751 PolarHBondContact N-O 2.91Å; I748-S751 VanDerWaalsContact O-CB 3.24Å; I748-S751 WeakPolarHBondContact O-CB 3.3Å; I748-S751 PolarHBondContact O-N 3.31Å; I748-S751 PolarHBondContact O-OG 2.8Å; G749-S751 VanDerWaalsContact C-N 3.29Å; G749-S751 PolarHBondContact O-N 3.12Å
752	F	92.4	Very high	89.1	Confident	34 Å²	34	52.3 Å²	52.3	15%	0.149	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-103	165.8	174.2	-66.5	-39.5	0	0	0	113.6	G345 E346 H747 G750 T756 L767	G345-F752 WeakPolarHBondContact O-CA 3.41Å; E346-F752 HydrophobicContact CB-CD1 3.91Å; E346-F752 HydrophobicContact CB-CE1 3.97Å; E346-F752 HydrophobicContact CG-CD1 4.01Å; E346-F752 HydrophobicContact CG-CE1 3.85Å; H747-F752 HydrophobicContact CB-CD2 4.38Å; H747-F752 HydrophobicContact CB-CE2 3.73Å; H747-F752 HydrophobicContact CB-CZ 4.07Å; H747-F752 AromaticContact CD2-CD2 3.37Å; H747-F752 WeakPolarHBondContact CD2-CD2 3.39Å; H747-F752 AromaticContact CD2-CE2 3.54Å; H747-F752 AromaticContact CG-CD2 3.75Å; H747-F752 AromaticContact CG-CE2 3.38Å; H747-F752 AromaticContact ND1-CE2 3.75Å; H747-F752 AromaticContact NE2-CD2 3.67Å; H747-F752 AromaticContact NE2-CE2 3.99Å; G750-F752 VanDerWaalsContact C-N 3.26Å; F752-T756 HydrophobicContact CB-CG2 3.93Å; F752-T756 HydrophobicContact CD1-CG2 4.21Å; F752-T756 HydrophobicContact CD2-CG2 4.12Å; F752-T756 HydrophobicContact CG-CG2 3.83Å; F752-L767 HydrophobicContact CE2-CD1 4.29Å
753	S	89.8	Confident	87.8	Confident	10 Å²	10	52.4 Å²	52.4	7%	0.07	26%	0.258	C	S	.	.			trans	-66.9	157.2	168	69.7	0	0	0	0	111.6	G345 E755 T756 E757	G345-S753 PolarHBondContact O-N 3.31Å; S753-E755 PolarHBondContact O-N 3.36Å; S753-E755 VanDerWaalsContact O-N 3.15Å; S753-T756 PolarHBondContact O-N 2.87Å; S753-T756 WeakPolarHBondContact OG-CB 3.29Å; S753-T756 PolarHBondContact OG-N 3.04Å; S753-T756 PolarHBondContact OG-OG1 2.87Å; S753-E757 WeakPolarHBondContact O-CB 3.5Å; S753-E757 PolarHBondContact O-N 3.26Å
754	E	88.3	Confident	86.1	Confident	134 Å²	134	55 Å²	55	63%	0.626	28%	0.279	S	S	*	.	H	α-helix	trans	-58.5	-33.6	-179.1	-71.5	-169	179.7	0	0	113	K758	E754-K758 WeakPolarHBondContact O-CB 3.14Å; E754-K758 VanDerWaalsContact O-CG 3.28Å; E754-K758 WeakPolarHBondContact O-CG 3.44Å; E754-K758 PolarHBondContact O-N 2.94Å; E754-K758 VanDerWaalsContact O-N 3.13Å
755	E	86.1	Confident	84.5	Confident	121 Å²	121	54.7 Å²	54.7	57%	0.565	29%	0.285	S	S	*	.	H	α-helix	trans	-69.2	-43.4	176.9	-171.8	-170.7	153.9	0	0	111.5	S753 K758 K759	S753-E755 PolarHBondContact O-N 3.36Å; S753-E755 VanDerWaalsContact O-N 3.15Å; E755-K758 PolarHBondContact O-N 3.36Å; E755-K759 WeakPolarHBondContact O-CG 3.4Å; E755-K759 PolarHBondContact O-N 3.05Å; E755-K759 WeakPolarHBondContact OE1-CE 3.4Å; E755-K759 IonicContact OE1-NZ 2.81Å; E755-K759 PolarHBondContact OE1-NZ 2.73Å
756	T	85.3	Confident	83	Confident	28 Å²	28	57.3 Å²	57.3	17%	0.172	30%	0.298	C	S	.	.	H	α-helix	trans	-69.8	-39.3	-179.3	-56.9	0	0	0	0	110.9	F752 S753 K758 K759 F760	F752-T756 HydrophobicContact CB-CG2 3.93Å; F752-T756 HydrophobicContact CD1-CG2 4.21Å; F752-T756 HydrophobicContact CD2-CG2 4.12Å; F752-T756 HydrophobicContact CG-CG2 3.83Å; S753-T756 PolarHBondContact O-N 2.87Å; S753-T756 WeakPolarHBondContact OG-CB 3.29Å; S753-T756 PolarHBondContact OG-N 3.04Å; S753-T756 PolarHBondContact OG-OG1 2.87Å; T756-K758 PolarHBondContact O-N 2.75Å; T756-K759 WeakPolarHBondContact O-CB 3.42Å; T756-K759 PolarHBondContact O-N 2.85Å; T756-K759 VanDerWaalsContact O-N 3.15Å; T756-F760 PolarHBondContact O-N 3.19Å
757	E	87.1	Confident	81.2	Confident	27 Å²	27	59.1 Å²	59.1	13%	0.126	31%	0.306	C	S	.	.	H	α-helix	trans	-60.1	-43.7	172.6	-162.5	75.9	-164.4	0	0	111.3	H747 S753 K759 F760 E761	H747-E757 IonicContact CD2-OE2 3.68Å; H747-E757 IonicContact NE2-OE1 2.89Å; H747-E757 PolarHBondContact NE2-OE1 2.87Å; H747-E757 IonicContact NE2-OE2 3.91Å; H747-E757 PolarHBondContact NE2-OE2 2.58Å; S753-E757 WeakPolarHBondContact O-CB 3.5Å; S753-E757 PolarHBondContact O-N 3.26Å; E757-K759 VanDerWaalsContact C-N 3.33Å; E757-K759 PolarHBondContact O-N 2.8Å; E757-F760 VanDerWaalsContact O-CB 3.3Å; E757-F760 WeakPolarHBondContact O-CB 3.41Å; E757-F760 PolarHBondContact O-N 3.16Å; E757-F760 VanDerWaalsContact O-N 3.15Å; E757-E761 PolarHBondContact O-N 3.11Å; E757-E761 VanDerWaalsContact O-N 3.15Å
758	K	85.9	Confident	79.1	Confident	117 Å²	117	64.4 Å²	64.4	51%	0.509	34%	0.335	S	S	.	.	H	α-helix	trans	-64.3	-37.3	174.5	-77	171.1	-176.4	163	0	112.3	E754 E755 T756 F760 E761 H762	E754-K758 WeakPolarHBondContact O-CB 3.14Å; E754-K758 VanDerWaalsContact O-CG 3.28Å; E754-K758 WeakPolarHBondContact O-CG 3.44Å; E754-K758 PolarHBondContact O-N 2.94Å; E754-K758 VanDerWaalsContact O-N 3.13Å; E755-K758 PolarHBondContact O-N 3.36Å; T756-K758 PolarHBondContact O-N 2.75Å; K758-F760 VanDerWaalsContact C-N 3.32Å; K758-E761 PolarHBondContact O-N 2.75Å; K758-H762 PolarHBondContact O-N 2.9Å; K758-H762 VanDerWaalsContact O-N 3.14Å; K758-H762 PolarHBondContact O-ND1 2.76Å
759	K	85	Confident	76.3	Confident	99 Å²	99	70 Å²	70	43%	0.43	37%	0.365	S	S	.	.	H	α-helix	trans	-63.9	-39.3	173.5	-74.1	172.8	-173.1	164.1	0	110.7	E755 T756 E757 E761 H762 F763 L767	E755-K759 WeakPolarHBondContact O-CG 3.4Å; E755-K759 PolarHBondContact O-N 3.05Å; E755-K759 WeakPolarHBondContact OE1-CE 3.4Å; E755-K759 IonicContact OE1-NZ 2.81Å; E755-K759 PolarHBondContact OE1-NZ 2.73Å; T756-K759 WeakPolarHBondContact O-CB 3.42Å; T756-K759 PolarHBondContact O-N 2.85Å; T756-K759 VanDerWaalsContact O-N 3.15Å; E757-K759 VanDerWaalsContact C-N 3.33Å; E757-K759 PolarHBondContact O-N 2.8Å; K759-E761 VanDerWaalsContact C-N 3.29Å; K759-E761 PolarHBondContact O-N 2.96Å; K759-H762 PolarHBondContact O-N 3.38Å; K759-F763 WeakPolarHBondContact O-CA 3.46Å; K759-F763 WeakPolarHBondContact O-CB 3.38Å; K759-F763 PolarHBondContact O-N 2.92Å; K759-L767 HydrophobicContact CB-CD2 4.33Å
760	F	83.9	Confident	73.8	Confident	0 Å²	0	78 Å²	78	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-56.8	-42.2	173	166.9	-93.8	0	0	0	111.8	L709 K731 R733 N745 H747 T756 E757 K758 H762 L767	L709-F760 HydrophobicContact CD2-CE1 3.93Å; L709-F760 HydrophobicContact CD2-CZ 4.03Å; K731-F760 HydrophobicContact CB-CE1 4.08Å; K731-F760 HydrophobicContact CB-CZ 4.01Å; K731-F760 HydrophobicContact CD-CE1 4.36Å; R733-F760 HydrophobicContact CB-CE2 4.23Å; R733-F760 HydrophobicContact CG-CD2 4.16Å; R733-F760 HydrophobicContact CG-CE2 3.65Å; R733-F760 HydrophobicContact CG-CZ 4Å; R733-F760 VanDerWaalsContact CZ-O 3.23Å; R733-F760 PolarHBondContact NE-O 3.46Å; R733-F760 PolarHBondContact NH2-O 3.47Å; N745-F760 HydrophobicContact CB-CD2 3.93Å; N745-F760 HydrophobicContact CB-CE2 4.02Å; N745-F760 WeakPolarHBondContact O-CE2 3.37Å; H747-F760 AromaticContact CE1-CD1 3.82Å; H747-F760 AromaticContact CE1-CD2 3.55Å; H747-F760 AromaticContact CE1-CE1 3.88Å; H747-F760 AromaticContact CE1-CE2 3.59Å; H747-F760 AromaticContact CE1-CG 3.66Å; H747-F760 AromaticContact CE1-CZ 3.77Å; T756-F760 PolarHBondContact O-N 3.19Å; E757-F760 VanDerWaalsContact O-CB 3.3Å; E757-F760 WeakPolarHBondContact O-CB 3.41Å; E757-F760 PolarHBondContact O-N 3.16Å; E757-F760 VanDerWaalsContact O-N 3.15Å; K758-F760 VanDerWaalsContact C-N 3.32Å; F760-H762 PolarHBondContact O-N 3.01Å; F760-L767 HydrophobicContact CB-CD1 4.32Å
761	E	77.9	Confident	71	Confident	81 Å²	81	84.6 Å²	84.6	38%	0.379	43%	0.426	S	S	.	.	H	α-helix	trans	-70.8	-28.8	178.9	-66.1	178.2	161.3	0	0	113.9	R733 E757 K758 K759	R733-E761 PolarHBondContact NH2-O 3.05Å; E757-E761 PolarHBondContact O-N 3.11Å; E757-E761 VanDerWaalsContact O-N 3.15Å; K758-E761 PolarHBondContact O-N 2.75Å; K759-E761 VanDerWaalsContact C-N 3.29Å; K759-E761 PolarHBondContact O-N 2.96Å
762	H	76.6	Confident	67.7	Low	158 Å²	158	88.6 Å²	88.6	73%	0.731	45%	0.454	S	S	*	.	H	α-helix	trans	-103.3	-32.6	-174.6	-67.7	77.1	0	0	0	115	K758 K759 F760	K758-H762 PolarHBondContact O-N 2.9Å; K758-H762 VanDerWaalsContact O-N 3.14Å; K758-H762 PolarHBondContact O-ND1 2.76Å; K759-H762 PolarHBondContact O-N 3.38Å; F760-H762 PolarHBondContact O-N 3.01Å
763	F	67.8	Low	64.9	Low	111 Å²	111	93 Å²	93	49%	0.487	49%	0.486	S	S	.	.			trans	-95.2	123	-173.4	-173.8	-108.4	0	0	0	112	R733 K759 G765	R733-F763 VanDerWaalsContact CZ-C 3.49Å; R733-F763 PolarHBondContact NE-O 2.82Å; R733-F763 PolarHBondContact NH2-O 3.06Å; R733-F763 VanDerWaalsContact NH2-O 3.11Å; K759-F763 WeakPolarHBondContact O-CA 3.46Å; K759-F763 WeakPolarHBondContact O-CB 3.38Å; K759-F763 PolarHBondContact O-N 2.92Å; F763-G765 VanDerWaalsContact CD1-N 3.34Å; F763-G765 VanDerWaalsContact CE1-C 3.5Å; F763-G765 PolarHBondContact O-N 2.97Å
764	S	59.2	Low	62.1	Low	77 Å²	77	105.3 Å²	105.3	54%	0.538	54%	0.542	S	S	.	.			trans	-82.4	-6.2	-177	53.1	0	0	0	0	115.3	Y744	Y744-S764 PolarHBondContact OH-O 2.73Å
765	G	60.3	Low	60.8	Low	23 Å²	23	103.9 Å²	103.9	24%	0.237	54%	0.538	C	S	.	.	S	Bend	trans	-91.8	178.5	179.2	0	0	0	0	0	114.6	N745 F763	N745-G765 PolarHBondContact ND2-O 3.21Å; F763-G765 VanDerWaalsContact CD1-N 3.34Å; F763-G765 VanDerWaalsContact CE1-C 3.5Å; F763-G765 PolarHBondContact O-N 2.97Å
766	L	60.2	Low	59.4	Low	78 Å²	78	102.9 Å²	102.9	41%	0.408	54%	0.537	S	S	.	.			trans	-72.1	135.4	173.1	-64.6	172.2	0	0	0	110.4	Y744 N768	Y744-L766 HydrophobicContact CD2-CD2 3.9Å; Y744-L766 HydrophobicContact CG-CD2 4.11Å; L766-N768 VanDerWaalsContact C-N 3.27Å; L766-N768 WeakPolarHBondContact CB-OD1 3.33Å; L766-N768 PolarHBondContact O-N 3.17Å
767	L	58.9	Low	58	Low	56 Å²	56	107.1 Å²	107.1	29%	0.293	56%	0.557	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.2	-20.4	-179.6	-71.5	168.2	0	0	0	112.7	N745 F752 K759 F760	N745-L767 HydrophobicContact CB-CD1 4.19Å; N745-L767 PolarHBondContact OD1-N 3.48Å; F752-L767 HydrophobicContact CE2-CD1 4.29Å; K759-L767 HydrophobicContact CB-CD2 4.33Å; F760-L767 HydrophobicContact CB-CD1 4.32Å
768	N	49.8	Very low	56.3	Low	118 Å²	118	111.8 Å²	111.8	63%	0.631	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	12.3	-173.4	63.6	-5.3	0	0	0	115.3	L766 Q770	L766-N768 VanDerWaalsContact C-N 3.27Å; L766-N768 WeakPolarHBondContact CB-OD1 3.33Å; L766-N768 PolarHBondContact O-N 3.17Å; N768-Q770 PolarHBondContact O-N 3.32Å
769	N	38	Very low	54.4	Low	133 Å²	133	111.5 Å²	111.5	71%	0.711	59%	0.587	S	S	*	*			trans	-78.5	39.6	174.7	-81.4	-16.6	0	0	0	113.6
770	Q	37.3	Very low	52.4	Low	180 Å²	180	112.3 Å²	112.3	84%	0.841	60%	0.597	S	S	*	*			trans	-93.1	97.5	160	-72.1	-163.4	-9.9	0	0	108.4	N768 S772	N768-Q770 PolarHBondContact O-N 3.32Å; Q770-S772 PolarHBondContact O-N 2.68Å
771	L	29.1	Very low	50.1	Low	170 Å²	170	120.4 Å²	120.4	89%	0.89	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-51.8	122.2	162.5	-79.2	156.2	0	0	0	108.2
772	S	23.6	Very low	48	Very low	105 Å²	105	123.4 Å²	123.4	73%	0.734	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-51.2	123.3	167.8	-39.2	0	0	0	0	108.3	Q770 Q774	Q770-S772 PolarHBondContact O-N 2.68Å; S772-Q774 PolarHBondContact O-N 3.06Å
773	P	32.3	Very low	45.6	Very low	127 Å²	127	120.5 Å²	120.5	83%	0.825	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-66.8	120.2	164.6	18.3	-11.3	0	0	0	106.7
774	Q	30.8	Very low	43.6	Very low	268 Å²	268	121.4 Å²	121.4	100%	1.252	67%	0.669	S	S	*	*			trans	-55.5	0	168.7	-74.1	-177.9	-14	0	0	111.8	S772	S772-Q774 PolarHBondContact O-N 3.06Å

Retrieved 774 of 774 residues in 942.2 ms (Link to these results)

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