A0A087YB08_POEFO Loading...

Stonin-1

May be involved in the endocytic machinery.

AlphaFold DB , UniProt , Accession A0A087YB08, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 702 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	45.7	Very low	29.6	Very low	238 Å²	238	152.7 Å²	152.7	100%	1.172	83%	0.834	S	S	*	*				0	158	0	-60.1	-173.4	-168	0	0	107.9
2	C	33.5	Very low	29.3	Very low	134 Å²	134	155.2 Å²	155.2	91%	0.905	83%	0.831	S	S	*	*			trans	68.4	165.5	-160.7	-50.4	0	0	0	0	113.7
3	S	24	Very low	29.1	Very low	96 Å²	96	154.9 Å²	154.9	67%	0.671	83%	0.83	S	S	*	*			trans	96	108.1	-161.8	-159.7	0	0	0	0	111.3
4	T	27.5	Very low	28.9	Very low	114 Å²	114	155.1 Å²	155.1	70%	0.699	83%	0.831	S	S	*	*			cis	70.6	124.9	47.9	77	0	0	0	0	114.6
5	N	27.6	Very low	28.8	Very low	151 Å²	151	156.2 Å²	156.2	81%	0.807	83%	0.829	S	S	*	*				-172.9	148.6	104.5	-85.1	-19.6	0	0	0	113
6	H	31.7	Very low	28.8	Very low	192 Å²	192	155.3 Å²	155.3	89%	0.889	83%	0.831	S	S	*	*			trans	-93.9	155.6	161	-67.8	-96.3	0	0	0	109.7
7	S	27.5	Very low	28.9	Very low	111 Å²	111	153.4 Å²	153.4	78%	0.776	83%	0.826	S	S	*	*			trans	-157.7	122.2	143.3	43.6	0	0	0	0	111.8
8	N	28.5	Very low	29.1	Very low	151 Å²	151	151.6 Å²	151.6	81%	0.807	82%	0.824	S	S	*	*			trans	-69.9	150.5	154.5	-60.5	-41.4	0	0	0	108.3
9	W	27.2	Very low	28.9	Very low	242 Å²	242	151.4 Å²	151.4	92%	0.917	83%	0.828	S	S	*	*			trans	-152.1	142.4	135.6	-87.3	111.2	0	0	0	110.2
10	V	26.7	Very low	28.8	Very low	117 Å²	117	149.2 Å²	149.2	71%	0.709	82%	0.824	S	S	*	*			trans	-114.5	129.8	168.4	171.5	0	0	0	0	107	F12	V10-F12 HydrophobicContact CG1-CE2 4.3Å
11	T	25.5	Very low	28.7	Very low	134 Å²	134	147 Å²	147	82%	0.822	82%	0.819	S	S	*	*			trans	-142	144.2	161.5	41.1	0	0	0	0	109.2
12	F	26.6	Very low	28	Very low	182 Å²	182	141.9 Å²	141.9	80%	0.798	80%	0.803	S	S	*	*			trans	-88.5	163.8	170.6	-71.9	-109.6	0	0	0	109.8	V10	V10-F12 HydrophobicContact CG1-CE2 4.3Å
13	D	26	Very low	27.7	Very low	152 Å²	152	144.9 Å²	144.9	81%	0.813	80%	0.804	S	S	*	*			trans	161.3	108.6	139.1	-78.8	-11.4	0	0	0	105.8
14	D	26.7	Very low	27.8	Very low	157 Å²	157	149.5 Å²	149.5	84%	0.84	81%	0.812	S	S	*	*				77.2	148.5	72.9	-93.2	-2.6	0	0	0	115.5
15	E	27.7	Very low	27.8	Very low	172 Å²	172	150 Å²	150	80%	0.804	82%	0.817	S	S	*	*			trans	-17.5	142.3	-166	-55	-164.6	135.5	0	0	121.8
16	V	28.9	Very low	27.8	Very low	142 Å²	142	151 Å²	151	86%	0.861	82%	0.822	S	S	*	*				-162.4	156.1	108.3	139.3	0	0	0	0	111.1
17	T	30.7	Very low	27.7	Very low	122 Å²	122	150.7 Å²	150.7	75%	0.748	82%	0.821	S	S	*	*			trans	-99.4	-154.9	-173.2	51.5	0	0	0	0	112.9
18	P	32.1	Very low	27.5	Very low	122 Å²	122	150.5 Å²	150.5	79%	0.792	82%	0.82	S	S	*	*				-110.6	164.1	-104.4	37.2	-22.7	0	0	0	114.8
19	V	25.8	Very low	27.8	Very low	147 Å²	147	149 Å²	149	89%	0.891	82%	0.818	S	S	*	*			trans	-112.8	152	175.6	-178.4	0	0	0	0	111.6
20	S	26.9	Very low	27.7	Very low	107 Å²	107	141.9 Å²	141.9	75%	0.748	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-85.1	164.3	-155.3	52.4	0	0	0	0	117.1
21	S	26.2	Very low	27.6	Very low	103 Å²	103	144.7 Å²	144.7	72%	0.72	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-67.8	142	174.3	54.3	0	0	0	0	113.8
22	P	30	Very low	27.7	Very low	131 Å²	131	145.8 Å²	145.8	85%	0.851	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-73.1	155.1	173.7	31.2	-35.3	0	0	0	113
23	Q	27.2	Very low	27.7	Very low	198 Å²	198	146.9 Å²	146.9	93%	0.925	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-84.2	171.5	-175	-68	177	-22.7	0	0	113.9
24	K	27.3	Very low	27.7	Very low	193 Å²	193	144.7 Å²	144.7	84%	0.839	83%	0.828	S	S	*	*			trans	-119.9	127.3	-169.4	-169.4	-178.4	-174.6	-178.5	0	111.2
25	P	27.1	Very low	27.6	Very low	123 Å²	123	142.7 Å²	142.7	80%	0.799	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-70.3	163.4	178	-21.4	34.3	0	0	0	115
26	L	26.9	Very low	27.6	Very low	174 Å²	174	140.7 Å²	140.7	91%	0.911	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-85.1	170.3	-179.7	-95.4	69.8	0	0	0	114
27	Q	29.6	Very low	27.5	Very low	184 Å²	184	139.6 Å²	139.6	86%	0.86	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-88.6	158.6	-175.6	-62.4	174.3	-20.7	0	0	112.7
28	S	24.6	Very low	27.4	Very low	108 Å²	108	144.5 Å²	144.5	76%	0.755	83%	0.826	S	S	*	*				163.5	175.3	93.2	52.7	0	0	0	0	109.8
29	P	34.8	Very low	27.2	Very low	118 Å²	118	144.7 Å²	144.7	77%	0.766	83%	0.827	S	S	*	*			cis	-130.1	167.3	-29.2	29.2	-9.8	0	0	0	115
30	A	24.4	Very low	27.3	Very low	93 Å²	93	145.4 Å²	145.4	77%	0.769	83%	0.826	S	S	*	*			trans	53.5	112.4	147.7	0	0	0	0	0	122.9
31	L	25.7	Very low	27.4	Very low	177 Å²	177	143.6 Å²	143.6	93%	0.927	82%	0.824	S	S	*	*				-148.2	148.3	121.8	-151.1	77.9	0	0	0	110.4
32	I	27.4	Very low	27.4	Very low	157 Å²	157	146.2 Å²	146.2	81%	0.805	83%	0.829	S	S	*	*			trans	-103.7	127.1	-170.6	-58.6	169	0	0	0	111.4
33	K	25.8	Very low	27.2	Very low	205 Å²	205	149 Å²	149	89%	0.891	83%	0.828	S	S	*	*			trans	-139.8	142.5	147.2	-73.2	-162.1	176	-177.3	0	109.8
34	A	26.5	Very low	27	Very low	106 Å²	106	146.7 Å²	146.7	88%	0.876	82%	0.821	S	S	*	*			trans	-70.6	151.6	-170.4	0	0	0	0	0	113.1
35	S	24.6	Very low	26.8	Very low	115 Å²	115	143.2 Å²	143.2	80%	0.804	82%	0.815	S	S	*	*			trans	-131.8	134.9	168.6	62.6	0	0	0	0	110
36	V	27.4	Very low	26.9	Very low	130 Å²	130	143.1 Å²	143.1	79%	0.788	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-76	132.5	-179.1	178.4	0	0	0	0	109	R38	V36-R38 PolarHBondContact O-N 3.1Å
37	P	26.6	Very low	26.9	Very low	119 Å²	119	139.6 Å²	139.6	77%	0.773	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-65.4	120	176.6	27.1	-33.8	0	0	0	110.1
38	R	28.7	Very low	27.2	Very low	225 Å²	225	134.1 Å²	134.1	85%	0.849	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-75	140.2	166.6	-67.7	179.1	175.8	175	-2.4	108.6	V36 N40	V36-R38 PolarHBondContact O-N 3.1Å; R38-N40 PolarHBondContact O-N 3.27Å
39	P	28.4	Very low	28.3	Very low	125 Å²	125	130.1 Å²	130.1	81%	0.812	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-62.8	132.4	173.2	26.7	-33.4	0	0	0	109.8	G41	P39-G41 PolarHBondContact O-N 3.33Å
40	N	27.9	Very low	28.8	Very low	163 Å²	163	128.1 Å²	128.1	87%	0.872	72%	0.724	S	S	*	*			trans	-69.9	97.8	169.6	-77.2	-30.7	0	0	0	108.1	R38 L42	R38-N40 PolarHBondContact O-N 3.27Å; N40-L42 PolarHBondContact O-N 3.01Å
41	G	28.1	Very low	29.7	Very low	69 Å²	69	128 Å²	128	71%	0.711	71%	0.711	S	S	*	*			trans	-57.7	120.1	177	0	0	0	0	0	110.6	P39 K43	P39-G41 PolarHBondContact O-N 3.33Å; G41-K43 PolarHBondContact O-N 2.93Å; G41-K43 VanDerWaalsContact O-N 3.09Å
42	L	26.5	Very low	30.7	Very low	157 Å²	157	121.1 Å²	121.1	82%	0.822	68%	0.676	S	S	*	*			trans	-53.9	116.2	176	-75.6	167.1	0	0	0	109	N40 L44	N40-L42 PolarHBondContact O-N 3.01Å; L42-L44 PolarHBondContact O-N 3.25Å
43	K	25	Very low	31.3	Very low	191 Å²	191	115 Å²	115	83%	0.83	65%	0.648	S	S	*	*			trans	-82.9	67.9	-177.8	-166.2	-174.1	177.9	-168.5	0	109.2	G41 V45	G41-K43 PolarHBondContact O-N 2.93Å; G41-K43 VanDerWaalsContact O-N 3.09Å; K43-V45 PolarHBondContact O-N 3.36Å
44	L	23.1	Very low	32.5	Very low	149 Å²	149	106.4 Å²	106.4	78%	0.78	61%	0.609	S	S	*	*			trans	-56.7	101	173.4	-67.1	173.2	0	0	0	109	L42 L46	L42-L44 PolarHBondContact O-N 3.25Å; L44-L46 PolarHBondContact O-N 2.73Å
45	V	23.9	Very low	33.1	Very low	119 Å²	119	105 Å²	105	72%	0.721	59%	0.594	S	S	*	*			trans	-90.8	90.8	165.2	-179.5	0	0	0	0	105.2	K43	K43-V45 PolarHBondContact O-N 3.36Å
46	L	27.9	Very low	34.1	Very low	122 Å²	122	101.3 Å²	101.3	64%	0.639	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-57.8	139.8	164	-62.6	173.9	0	0	0	107.9	L44	L44-L46 PolarHBondContact O-N 2.73Å
47	P	28.5	Very low	34.4	Very low	100 Å²	100	98.5 Å²	98.5	65%	0.649	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-60.3	144	169.8	27.3	-33.6	0	0	0	109.2
48	P	35.1	Very low	34.6	Very low	68 Å²	68	95.7 Å²	95.7	44%	0.442	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-64.8	144.7	178.8	29.2	-34.5	0	0	0	110.1	K50 D51	P48-K50 PolarHBondContact O-N 3.35Å; P48-D51 WeakPolarHBondContact CG-OD2 3.23Å; P48-D51 PolarHBondContact O-N 3.34Å; P48-D51 VanDerWaalsContact O-N 3.14Å
49	I	47.3	Very low	34.5	Very low	24 Å²	24	90.2 Å²	90.2	12%	0.123	54%	0.538	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-27.3	-179.8	-68.6	161.3	0	0	0	112.8	D51 E536 E646 S648 W675	I49-D51 PolarHBondContact O-N 3.09Å; I49-E536 HydrophobicContact CD1-CB 3.84Å; I49-E536 HydrophobicContact CD1-CG 3.84Å; I49-E646 HydrophobicContact CD1-CB 4.27Å; I49-E646 HydrophobicContact CG2-CB 4.32Å; I49-S648 WeakPolarHBondContact CD1-OG 3.48Å; I49-S648 WeakPolarHBondContact CG1-OG 3.32Å; I49-W675 HydrophobicContact CG2-CD2 4.3Å; I49-W675 HydrophobicContact CG2-CE3 4.13Å; I49-W675 HydrophobicContact CG2-CZ3 4.5Å
50	K	46.4	Very low	34.4	Very low	76 Å²	76	92.2 Å²	92.2	33%	0.33	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-18.4	-174.2	-63.9	-164.4	155.3	-171.3	0	116	P48 T52 E299 N537 E646	P48-K50 PolarHBondContact O-N 3.35Å; K50-T52 PolarHBondContact O-N 3.08Å; K50-E299 WeakPolarHBondContact CD-OE1 3.4Å; K50-E299 WeakPolarHBondContact CE-OE1 3.5Å; K50-E299 VanDerWaalsContact CE-OE2 3.29Å; K50-E299 WeakPolarHBondContact CE-OE2 3.21Å; K50-E299 IonicContact NZ-OE1 2.76Å; K50-E299 PolarHBondContact NZ-OE1 2.79Å; K50-E299 IonicContact NZ-OE2 3.67Å; K50-E299 PolarHBondContact NZ-OE2 3.3Å; K50-N537 VanDerWaalsContact CE-ND2 3.29Å; K50-N537 WeakPolarHBondContact CE-ND2 3.45Å; K50-N537 WeakPolarHBondContact CE-OD1 3.43Å; K50-E646 VanDerWaalsContact CE-OE2 3.31Å; K50-E646 WeakPolarHBondContact CE-OE2 3.48Å
51	D	43.1	Very low	34.4	Very low	92 Å²	92	93.6 Å²	93.6	49%	0.492	54%	0.542	S	S	.	.			trans	-77.9	69.2	175.6	-74.5	-28.1	0	0	0	110.5	P48 I49 S53	P48-D51 WeakPolarHBondContact CG-OD2 3.23Å; P48-D51 PolarHBondContact O-N 3.34Å; P48-D51 VanDerWaalsContact O-N 3.14Å; I49-D51 PolarHBondContact O-N 3.09Å; D51-S53 CarbonylContact O-C 3.28Å; D51-S53 PolarHBondContact O-N 3.01Å
52	T	45.5	Very low	34.3	Very low	31 Å²	31	94.8 Å²	94.8	19%	0.19	54%	0.54	C	S	.	.			trans	-69	-4.7	171.1	70.4	0	0	0	0	112.7	K50 W54 R296 R478	K50-T52 PolarHBondContact O-N 3.08Å; T52-W54 VanDerWaalsContact C-N 3.35Å; T52-W54 PolarHBondContact O-N 2.89Å; T52-R296 PolarHBondContact O-NH1 2.84Å; T52-R296 PolarHBondContact OG1-NH1 2.85Å; T52-R296 PolarHBondContact OG1-NH2 2.8Å; T52-R296 VanDerWaalsContact OG1-NH2 3.09Å; T52-R478 PolarHBondContact O-NH1 2.94Å
53	S	39.9	Very low	34.3	Very low	29 Å²	29	93.7 Å²	93.7	20%	0.203	54%	0.542	C	S	.	.	S	Bend	trans	-65.2	86.7	152	44.7	0	0	0	0	110	D51 S55	D51-S53 CarbonylContact O-C 3.28Å; D51-S53 PolarHBondContact O-N 3.01Å; S53-S55 PolarHBondContact O-N 3.31Å; S53-S55 VanDerWaalsContact O-N 3.08Å
54	W	51.7	Low	34.5	Very low	24 Å²	24	93.2 Å²	93.2	9%	0.091	54%	0.543	C	S	.	.			trans	-61.2	115.8	177.8	-55.2	-17.1	0	0	0	110.3	T52 F56 S383 Q385 H410 L412 R478	T52-W54 VanDerWaalsContact C-N 3.35Å; T52-W54 PolarHBondContact O-N 2.89Å; W54-F56 HydrophobicContact CB-CD2 4.34Å; W54-F56 HydrophobicContact CB-CE2 3.46Å; W54-F56 VanDerWaalsContact CB-CE2 3.46Å; W54-F56 HydrophobicContact CB-CZ 3.71Å; W54-F56 HydrophobicContact CD2-CZ 4.35Å; W54-F56 HydrophobicContact CE3-CE2 4.38Å; W54-F56 AromaticContact CE3-CZ 3.96Å; W54-F56 HydrophobicContact CE3-CZ 3.96Å; W54-F56 HydrophobicContact CG-CE2 4.44Å; W54-F56 HydrophobicContact CG-CZ 4.29Å; W54-S383 VanDerWaalsContact CZ3-CB 3.41Å; W54-S383 WeakPolarHBondContact CZ3-O 3.37Å; W54-Q385 HydrophobicContact CH2-CB 3.98Å; W54-Q385 HydrophobicContact CZ2-CB 3.42Å; W54-Q385 VanDerWaalsContact CZ2-CB 3.42Å; W54-Q385 HydrophobicContact CZ2-CG 4.38Å; W54-H410 HydrophobicContact CH2-CB 4.48Å; W54-L412 HydrophobicContact CE3-CB 3.51Å; W54-L412 HydrophobicContact CE3-CD2 3.76Å; W54-L412 HydrophobicContact CE3-CG 4.31Å; W54-L412 HydrophobicContact CH2-CB 4.3Å; W54-L412 HydrophobicContact CZ3-CB 3.28Å; W54-L412 HydrophobicContact CZ3-CD2 4.41Å; W54-L412 HydrophobicContact CZ3-CG 4.49Å; W54-R478 VanDerWaalsContact CZ2-NH1 3.3Å
55	S	39.5	Very low	34.7	Very low	78 Å²	78	91.8 Å²	91.8	55%	0.545	55%	0.545	S	S	.	.			trans	-116.1	107.4	173.5	60.8	0	0	0	0	108.6	S53 H335	S53-S55 PolarHBondContact O-N 3.31Å; S53-S55 VanDerWaalsContact O-N 3.08Å; S55-H335 WeakPolarHBondContact CA-O 3.3Å
56	F	46	Very low	34.8	Very low	36 Å²	36	95.6 Å²	95.6	16%	0.158	56%	0.555	C	S	.	*			trans	-86.6	115.8	-176.8	-61.7	-90.8	0	0	0	109	W54 S334 H335 E381 S383 L412 H671	W54-F56 HydrophobicContact CB-CD2 4.34Å; W54-F56 HydrophobicContact CB-CE2 3.46Å; W54-F56 VanDerWaalsContact CB-CE2 3.46Å; W54-F56 HydrophobicContact CB-CZ 3.71Å; W54-F56 HydrophobicContact CD2-CZ 4.35Å; W54-F56 HydrophobicContact CE3-CE2 4.38Å; W54-F56 AromaticContact CE3-CZ 3.96Å; W54-F56 HydrophobicContact CE3-CZ 3.96Å; W54-F56 HydrophobicContact CG-CE2 4.44Å; W54-F56 HydrophobicContact CG-CZ 4.29Å; F56-S334 WeakPolarHBondContact O-CA 3.31Å; F56-S334 WeakPolarHBondContact O-CB 3.23Å; F56-H335 HydrophobicContact CD2-CB 3.92Å; F56-H335 PolarHBondContact N-O 3.15Å; F56-E381 WeakPolarHBondContact CG-OE2 3.4Å; F56-S383 VanDerWaalsContact CE1-OG 3.27Å; F56-S383 WeakPolarHBondContact CE1-OG 3.25Å; F56-S383 WeakPolarHBondContact CZ-OG 3.4Å; F56-L412 HydrophobicContact CE2-CD2 4.33Å; F56-H671 AromaticContact CD1-CD2 3.79Å; F56-H671 AromaticContact CD1-NE2 3.64Å; F56-H671 HydrophobicContact CE1-CB 4.4Å; F56-H671 AromaticContact CE1-CD2 3.5Å
57	S	33.3	Very low	34.8	Very low	71 Å²	71	98 Å²	98	50%	0.497	57%	0.568	S	S	.	*			trans	-131.3	120.9	172.9	61.9	0	0	0	0	109.1	S59	S57-S59 PolarHBondContact O-N 2.94Å
58	G	30.8	Very low	34.6	Very low	60 Å²	60	96.9 Å²	96.9	62%	0.619	57%	0.574	S	S	*	*			trans	-70.7	116.8	-177.1	0	0	0	0	0	110.8	E332	G58-E332 PolarHBondContact N-OE1 2.68Å
59	S	25.8	Very low	34.1	Very low	111 Å²	111	99.5 Å²	99.5	78%	0.776	59%	0.594	S	S	*	*			trans	-141.3	85.4	175.6	-151.3	0	0	0	0	112.5	S57	S57-S59 PolarHBondContact O-N 2.94Å
60	L	27.8	Very low	33.1	Very low	166 Å²	166	104.4 Å²	104.4	87%	0.869	63%	0.631	S	S	*	*			trans	-141.4	82.7	168.7	-110.1	150.1	0	0	0	108.5	S62	L60-S62 PolarHBondContact O-N 3.25Å; L60-S62 VanDerWaalsContact O-N 3.1Å
61	E	27.8	Very low	32.2	Very low	193 Å²	193	104.4 Å²	104.4	90%	0.902	65%	0.653	S	S	*	*			trans	-72	95.2	165.1	-72.9	-164.6	129.4	0	0	109.1
62	S	24.7	Very low	31.4	Very low	94 Å²	94	109.6 Å²	109.6	66%	0.657	67%	0.671	S	S	*	*			trans	-75.6	126.1	170.9	48.6	0	0	0	0	110.4	L60 Q64	L60-S62 PolarHBondContact O-N 3.25Å; L60-S62 VanDerWaalsContact O-N 3.1Å; S62-Q64 PolarHBondContact O-N 2.85Å
63	P	28	Very low	30.5	Very low	133 Å²	133	112.3 Å²	112.3	86%	0.864	69%	0.691	S	S	*	*			trans	-81.1	103.2	-173.1	30.5	-34.3	0	0	0	111.7
64	Q	27.8	Very low	29.8	Very low	182 Å²	182	120.8 Å²	120.8	85%	0.85	72%	0.724	S	S	*	*			trans	-98.6	114.2	165.2	-71.9	-165.9	-12.9	0	0	111.1	S62	S62-Q64 PolarHBondContact O-N 2.85Å
65	S	27.8	Very low	28.7	Very low	119 Å²	119	130 Å²	130	83%	0.832	76%	0.759	S	S	*	*			trans	-70.7	123.7	178.1	53.3	0	0	0	0	111.7	L67	S65-L67 PolarHBondContact O-N 2.64Å
66	Q	26.5	Very low	28.4	Very low	199 Å²	199	131.6 Å²	131.6	93%	0.93	77%	0.768	S	S	*	*			trans	-72.7	118.2	168.1	-68.9	-169.9	-6.3	0	0	110.7
67	L	26.8	Very low	27.4	Very low	172 Å²	172	134.9 Å²	134.9	90%	0.901	79%	0.794	S	S	*	*			trans	-96.1	103.8	159.3	-170.3	72.4	0	0	0	108.1	S65	S65-L67 PolarHBondContact O-N 2.64Å
68	G	24.5	Very low	27	Very low	77 Å²	77	136.8 Å²	136.8	79%	0.794	81%	0.808	S	S	*	*			trans	-71.3	131.9	-179.6	0	0	0	0	0	112.3
69	S	26	Very low	26.8	Very low	123 Å²	123	139.7 Å²	139.7	86%	0.86	82%	0.818	S	S	*	*			trans	-128.7	144.2	165.8	-170.9	0	0	0	0	109.8
70	S	26	Very low	26.8	Very low	126 Å²	126	138.6 Å²	138.6	88%	0.881	82%	0.816	S	S	*	*			trans	-90.3	127	-168.9	47.8	0	0	0	0	112.6
71	G	26.1	Very low	26.9	Very low	77 Å²	77	138.9 Å²	138.9	79%	0.794	82%	0.817	S	S	*	*			trans	-141.4	127.1	-178.9	0	0	0	0	0	112.1
72	K	27.9	Very low	26.9	Very low	200 Å²	200	134.8 Å²	134.8	87%	0.87	81%	0.81	S	S	*	*			trans	-76.2	144.6	-171.8	-60.4	167.4	-179.9	171.4	0	112.6
73	S	25.8	Very low	27.2	Very low	88 Å²	88	136 Å²	136	62%	0.615	81%	0.814	S	S	*	*			trans	31.9	135.6	143.9	62.9	0	0	0	0	121.2
74	F	26	Very low	27.3	Very low	207 Å²	207	135.9 Å²	135.9	91%	0.908	81%	0.813	S	S	*	*				-166.6	162.1	108.4	-98.5	-64.2	0	0	0	112.5
75	R	27	Very low	27.4	Very low	217 Å²	217	133 Å²	133	82%	0.819	81%	0.807	S	S	*	*			trans	-135.1	139	172	-138.9	-167.4	-160.7	-164.8	7.8	106.9
76	P	33.7	Very low	27.4	Very low	113 Å²	113	132.8 Å²	132.8	73%	0.734	80%	0.801	S	S	*	*				-126.7	162.6	103.8	3	19.9	0	0	0	111.3
77	C	25.5	Very low	27.3	Very low	104 Å²	104	134.7 Å²	134.7	70%	0.703	80%	0.8	S	S	*	*				66.3	139	58	-50.7	0	0	0	0	113.4
78	S	24.4	Very low	27.4	Very low	112 Å²	112	132.5 Å²	132.5	78%	0.783	79%	0.793	S	S	*	*			cis	-178.3	136.2	-9.3	45	0	0	0	0	112.6
79	S	26.4	Very low	27.4	Very low	121 Å²	121	133.5 Å²	133.5	85%	0.846	79%	0.788	S	S	*	*			trans	-176.4	136.4	150.9	43.1	0	0	0	0	108.9
80	A	27	Very low	27.4	Very low	88 Å²	88	133.5 Å²	133.5	73%	0.727	78%	0.783	S	S	*	*			cis	108.3	106.1	5	0	0	0	0	0	115.7
81	L	29.3	Very low	27.5	Very low	171 Å²	171	132 Å²	132	90%	0.895	77%	0.773	S	S	*	*			trans	71.5	153.3	157	-62.1	165.8	0	0	0	116.7
82	S	27.2	Very low	27.6	Very low	107 Å²	107	134.4 Å²	134.4	75%	0.748	77%	0.772	S	S	*	*			cis	-150.2	154.3	2.4	28.3	0	0	0	0	113.3
83	T	31.4	Very low	27.5	Very low	120 Å²	120	129.6 Å²	129.6	74%	0.736	76%	0.764	S	S	*	*			trans	-109	151.9	157.2	48.4	0	0	0	0	110.4
84	P	31.3	Very low	27.5	Very low	131 Å²	131	130.9 Å²	130.9	85%	0.851	77%	0.773	S	S	*	*			trans	-90.3	162.6	162.6	34.6	-31.1	0	0	0	112
85	V	28.3	Very low	27.6	Very low	120 Å²	120	130.3 Å²	130.3	73%	0.727	77%	0.77	S	S	*	*			trans	-132.5	125.4	-159.1	169	0	0	0	0	114.4
86	T	29.2	Very low	27.6	Very low	115 Å²	115	128.9 Å²	128.9	71%	0.706	77%	0.772	S	S	*	*			trans	28.8	134.8	135.1	-41.5	0	0	0	0	122.7	V88	T86-V88 HydrophobicContact CG2-CG2 4.39Å
87	R	23.9	Very low	27.6	Very low	240 Å²	240	132.8 Å²	132.8	91%	0.906	78%	0.778	S	S	*	*			trans	-147.3	126.7	137.5	-89.6	164.6	-165.8	169.2	4.5	107.2
88	V	28.8	Very low	27.9	Very low	125 Å²	125	132.8 Å²	132.8	76%	0.758	78%	0.777	S	S	*	*				69.6	124.3	62.2	177.2	0	0	0	0	111.3	T86	T86-V88 HydrophobicContact CG2-CG2 4.39Å
89	S	24.8	Very low	27.9	Very low	98 Å²	98	132.6 Å²	132.6	69%	0.685	78%	0.776	S	S	*	*			cis	-136.7	-162.2	6.8	54.1	0	0	0	0	111.4
90	T	26.5	Very low	27.9	Very low	124 Å²	124	132.6 Å²	132.6	76%	0.761	77%	0.774	S	S	*	*			cis	-159.5	-175.3	16.7	-20.3	0	0	0	0	112.5
91	S	26.3	Very low	27.8	Very low	94 Å²	94	135.5 Å²	135.5	66%	0.657	77%	0.773	S	S	*	*			trans	-55.8	152.2	169.8	53.3	0	0	0	0	116.5
92	T	28.2	Very low	27.7	Very low	128 Å²	128	135 Å²	135	79%	0.785	76%	0.764	S	S	*	*				-168.9	156.5	65.2	37.4	0	0	0	0	115.8
93	S	26.5	Very low	27.7	Very low	98 Å²	98	138 Å²	138	69%	0.685	77%	0.771	S	S	*	*			trans	26.8	121	150.2	64.5	0	0	0	0	125.6
94	S	26.8	Very low	27.6	Very low	116 Å²	116	136.3 Å²	136.3	81%	0.811	77%	0.769	S	S	*	*				67.6	142.4	117.6	-51.9	0	0	0	0	125
95	F	28.3	Very low	27.4	Very low	194 Å²	194	140.6 Å²	140.6	85%	0.851	78%	0.775	S	S	*	*			trans	-54.3	152.2	178.1	-48.5	-99	0	0	0	118.1
96	H	25.5	Very low	27.5	Very low	187 Å²	187	142.8 Å²	142.8	87%	0.866	78%	0.781	S	S	*	*				-174.8	167.8	116.3	-111.3	-87.1	0	0	0	114.6
97	F	33.2	Very low	27.4	Very low	195 Å²	195	149.1 Å²	149.1	86%	0.855	79%	0.792	S	S	*	*			trans	-98.2	155.5	178	-85.7	-93.8	0	0	0	114.1
98	P	32.5	Very low	27.5	Very low	105 Å²	105	142 Å²	142	68%	0.682	78%	0.78	S	S	*	*			trans	-122.3	135.3	142.2	11.3	10.6	0	0	0	111.5
99	S	25.1	Very low	27.5	Very low	107 Å²	107	145.1 Å²	145.1	75%	0.748	78%	0.783	S	S	*	*				50.5	107.4	77.6	70.1	0	0	0	0	114.4
100	C	25.5	Very low	27.6	Very low	121 Å²	121	145.7 Å²	145.7	82%	0.818	79%	0.787	S	S	*	*				81.2	113.3	57.1	-173.9	0	0	0	0	114.3
101	E	25.7	Very low	27.9	Very low	149 Å²	149	145.2 Å²	145.2	70%	0.696	79%	0.789	S	S	*	*				-166	135.9	124.8	-102.5	-155.5	142.3	0	0	115.6
102	K	27.7	Very low	28.8	Very low	162 Å²	162	146.4 Å²	146.4	70%	0.704	79%	0.794	S	S	*	*			trans	18.5	132.4	143	-57	167.8	-170.2	155.1	0	121.6
103	N	26.9	Very low	28.9	Very low	170 Å²	170	146.4 Å²	146.4	91%	0.909	80%	0.8	S	S	*	*				-156.6	157.2	111.7	-107.3	-42.9	0	0	0	110.8
104	A	28.8	Very low	29	Very low	84 Å²	84	145.3 Å²	145.3	69%	0.694	80%	0.804	S	S	*	*			trans	-148.6	144.1	-173.8	0	0	0	0	0	113
105	F	27.6	Very low	29.2	Very low	220 Å²	220	146.6 Å²	146.6	97%	0.965	81%	0.807	S	S	*	*			trans	-146.5	150.4	159.7	-92.9	-71	0	0	0	111.2
106	L	29.3	Very low	29.2	Very low	166 Å²	166	143 Å²	143	87%	0.869	81%	0.805	S	S	*	*			trans	-105.8	150.1	-172.6	-67.4	159.5	0	0	0	111.6
107	R	26.5	Very low	29.5	Very low	248 Å²	248	140.1 Å²	140.1	94%	0.936	80%	0.801	S	S	*	*			trans	-165.9	136.7	132.9	-109.9	169.4	-165.7	-170.9	4	112.8
108	S	27.2	Very low	29.8	Very low	91 Å²	91	136.7 Å²	136.7	64%	0.636	80%	0.798	S	S	*	*			trans	-95.3	167	167	-49.4	0	0	0	0	110.2
109	F	28.6	Very low	29.8	Very low	190 Å²	190	136.7 Å²	136.7	83%	0.833	80%	0.801	S	S	*	*				159.4	131	113.7	-82.8	-60.4	0	0	0	114.8
110	S	27.5	Very low	30.7	Very low	110 Å²	110	137.9 Å²	137.9	77%	0.769	81%	0.806	S	S	*	*			trans	62.2	127.2	137.5	-51	0	0	0	0	123.5
111	S	32.5	Very low	30.7	Very low	114 Å²	114	136.4 Å²	136.4	80%	0.797	80%	0.802	S	S	*	*			trans	-78	168	147.6	-39.3	0	0	0	0	110.7
112	P	44.5	Very low	32	Very low	119 Å²	119	134.8 Å²	134.8	77%	0.773	81%	0.805	S	S	*	*				-156.6	172.4	85.2	41	-20.8	0	0	0	118.6
113	S	31	Very low	31.8	Very low	129 Å²	129	135.7 Å²	135.7	90%	0.902	81%	0.811	S	S	*	*			trans	8.3	142.3	153.3	-46.6	0	0	0	0	124.4
114	G	28.4	Very low	31.7	Very low	75 Å²	75	134 Å²	134	77%	0.773	81%	0.807	S	S	*	*			trans	-170.4	153.9	161.7	0	0	0	0	0	113
115	V	30.6	Very low	32.5	Very low	142 Å²	142	135.1 Å²	135.1	86%	0.861	81%	0.808	S	S	*	*			trans	-140.1	143.2	-169.5	173.1	0	0	0	0	112.2
116	S	28.1	Very low	32.4	Very low	118 Å²	118	130 Å²	130	83%	0.825	80%	0.799	S	S	*	*			trans	171.6	156.3	136.1	-77.4	0	0	0	0	114.1
117	V	33	Very low	32.6	Very low	127 Å²	127	130.9 Å²	130.9	77%	0.77	80%	0.799	S	S	*	*			trans	-115.3	165.6	170.8	-148.9	0	0	0	0	108.8
118	P	39.4	Very low	33.7	Very low	124 Å²	124	124.2 Å²	124.2	81%	0.805	79%	0.788	S	S	*	*				-149.5	168.5	96.5	38.8	-21.6	0	0	0	116.2
119	S	31.3	Very low	33.8	Very low	105 Å²	105	123.9 Å²	123.9	73%	0.734	79%	0.79	S	S	*	*			trans	-96.8	172	168.6	-44	0	0	0	0	111.1
120	P	44.6	Very low	33.7	Very low	131 Å²	131	122.8 Å²	122.8	85%	0.851	79%	0.793	S	S	*	*				-152	-168.2	81.6	41.2	-21.1	0	0	0	115.7
121	A	24.6	Very low	33.6	Very low	90 Å²	90	121.1 Å²	121.1	74%	0.744	79%	0.793	S	S	*	*			trans	-119.3	-167.4	168.8	0	0	0	0	0	108.8
122	P	54.3	Low	34.1	Very low	115 Å²	115	122.1 Å²	122.1	75%	0.747	80%	0.797	S	S	*	*			cis	-138.1	-151.9	-1.7	36.1	-11.1	0	0	0	114.6
123	E	23.8	Very low	33.6	Very low	181 Å²	181	121.7 Å²	121.7	85%	0.846	80%	0.797	S	S	*	*			trans	96.5	168.6	161.7	-49.5	-152.2	150.9	0	0	120.9
124	T	23.3	Very low	34.3	Very low	134 Å²	134	120.9 Å²	120.9	82%	0.822	79%	0.789	S	S	*	*			trans	-149.4	-172.1	-153.5	-2.3	0	0	0	0	109.3
125	P	45.9	Very low	34.4	Very low	109 Å²	109	127.3 Å²	127.3	71%	0.708	80%	0.796	S	S	*	*			cis	-135.2	-160.9	-14.7	38.5	-17.6	0	0	0	114.5
126	S	25.8	Very low	35.6	Very low	112 Å²	112	126.3 Å²	126.3	78%	0.783	79%	0.792	S	S	*	*			trans	83.1	144	156.5	86.8	0	0	0	0	118
127	Q	33.2	Very low	35.5	Very low	184 Å²	184	125 Å²	125	86%	0.86	79%	0.789	S	S	*	*			cis	-154.8	-161.9	-18.3	-140.2	-167	17.9	0	0	111.2
128	P	50.7	Low	35.1	Very low	108 Å²	108	128.6 Å²	128.6	70%	0.701	79%	0.794	S	S	*	*				-121.7	175.6	-120.5	44.3	-28.9	0	0	0	117.8
129	A	28.1	Very low	34.6	Very low	84 Å²	84	133.9 Å²	133.9	69%	0.694	80%	0.798	S	S	*	*			trans	-171.1	138.2	138.6	0	0	0	0	0	114.6
130	N	27.3	Very low	34.3	Very low	168 Å²	168	132.5 Å²	132.5	90%	0.898	80%	0.8	S	S	*	*			trans	57.7	128.4	153.4	-58.3	-16.2	0	0	0	122.3
131	G	25.8	Very low	33.4	Very low	74 Å²	74	133.7 Å²	133.7	76%	0.763	80%	0.799	S	S	*	*			trans	-106.3	-145.5	169.3	0	0	0	0	0	113.1
132	P	42.2	Very low	33.6	Very low	136 Å²	136	135.6 Å²	135.6	88%	0.883	81%	0.807	S	S	*	*			cis	-123.9	179.6	27	42	-29.5	0	0	0	116.4
133	S	34.5	Very low	32.3	Very low	110 Å²	110	133 Å²	133	77%	0.769	80%	0.802	S	S	*	*			trans	-110	-152.8	175.6	67.3	0	0	0	0	109.7
134	P	46.2	Very low	32.6	Very low	112 Å²	112	133.1 Å²	133.1	73%	0.727	80%	0.802	S	S	*	*			cis	-138.9	154.9	21.4	39.9	-18.5	0	0	0	119.5
135	F	30.3	Very low	32.8	Very low	209 Å²	209	135.2 Å²	135.2	92%	0.917	80%	0.8	S	S	*	*			trans	-105.9	-167.7	145.3	-86.5	-81.3	0	0	0	106.7
136	P	54.6	Low	32	Very low	121 Å²	121	136.7 Å²	136.7	79%	0.786	80%	0.802	S	S	*	*			cis	-133.8	-158.2	-4.5	42.7	-23.7	0	0	0	113
137	A	26.3	Very low	32.8	Very low	91 Å²	91	136 Å²	136	75%	0.752	80%	0.795	S	S	*	*			trans	-144.8	139.1	152.7	0	0	0	0	0	111.3
138	F	26.1	Very low	32.5	Very low	203 Å²	203	136.2 Å²	136.2	89%	0.89	79%	0.793	S	S	*	*			trans	-153.3	167.7	167.9	-126.9	-90.8	0	0	0	111.2
139	R	27.1	Very low	31.7	Very low	235 Å²	235	142.6 Å²	142.6	89%	0.887	80%	0.803	S	S	*	*			trans	-55.4	156.9	-169.7	-56	174	174.8	-163.5	-2.4	116.4
140	G	25.1	Very low	31.6	Very low	75 Å²	75	145.3 Å²	145.3	77%	0.773	81%	0.806	S	S	*	*			trans	160.6	90.1	141.4	0	0	0	0	0	119.6
141	N	26.3	Very low	31.7	Very low	156 Å²	156	143.9 Å²	143.9	83%	0.834	80%	0.799	S	S	*	*			trans	17	145.8	153.9	-73	8.7	0	0	0	124.1
142	S	28.4	Very low	31.7	Very low	130 Å²	130	145.5 Å²	145.5	91%	0.909	80%	0.799	S	S	*	*			trans	65.2	146.4	159.7	63.5	0	0	0	0	117.4
143	G	28.2	Very low	31	Very low	62 Å²	62	150 Å²	150	64%	0.639	80%	0.798	S	S	*	*			cis	174.9	175.4	-4	0	0	0	0	0	111.2
144	H	29.6	Very low	30.7	Very low	182 Å²	182	156.4 Å²	156.4	84%	0.843	81%	0.805	S	S	*	*			trans	82.2	114.9	175.2	-53.7	-85.8	0	0	0	120
145	F	26.8	Very low	29.8	Very low	178 Å²	178	156.2 Å²	156.2	78%	0.781	81%	0.807	S	S	*	*			trans	45.4	116.7	136.1	-70	-87.5	0	0	0	123.6
146	N	28.9	Very low	29.9	Very low	140 Å²	140	151.3 Å²	151.3	75%	0.749	79%	0.794	S	S	*	*				46.5	159.6	113.2	-77.7	9.4	0	0	0	122.7
147	P	43.2	Very low	28.8	Very low	98 Å²	98	152.1 Å²	152.1	64%	0.636	79%	0.791	S	S	*	*			cis	-143.5	-173.9	-37.8	41.6	-23.5	0	0	0	114
148	F	27.1	Very low	29.3	Very low	189 Å²	189	153.9 Å²	153.9	83%	0.829	79%	0.792	S	S	*	*			trans	43.6	108.9	152.3	-92.3	-77.4	0	0	0	122.1
149	W	32.8	Very low	29.5	Very low	241 Å²	241	148.6 Å²	148.6	91%	0.913	78%	0.781	S	S	*	*			trans	-141.8	120.3	131.1	-69.4	84.1	0	0	0	104.9
150	D	26.6	Very low	29.8	Very low	141 Å²	141	142.5 Å²	142.5	75%	0.754	77%	0.774	S	S	*	*				88.8	148.6	57.7	-160	28.3	0	0	0	113.6
151	D	29.7	Very low	30.3	Very low	138 Å²	138	144 Å²	144	74%	0.738	77%	0.773	S	S	*	*			trans	-87.2	150.5	-147.7	-166.3	-1	0	0	0	115.6
152	S	26.2	Very low	30.6	Very low	109 Å²	109	141.5 Å²	141.5	76%	0.762	77%	0.768	S	S	*	*			trans	-158.8	85.7	169	-79.9	0	0	0	0	116.2
153	R	27.4	Very low	30.6	Very low	230 Å²	230	141 Å²	141	87%	0.868	76%	0.764	S	S	*	*			trans	56.4	101.4	131.3	-59.5	180	-176.6	-130.5	-1.6	121.1
154	R	28.3	Very low	30.7	Very low	244 Å²	244	145 Å²	145	92%	0.921	77%	0.771	S	S	*	*				34	125.7	123	-64.1	-174.1	177.3	-161.9	-1.2	121.7
155	S	26.9	Very low	31	Very low	109 Å²	109	141.3 Å²	141.3	76%	0.762	77%	0.766	S	S	*	*			trans	-138.4	131.4	133	-158.3	0	0	0	0	105.6
156	V	31.9	Very low	31.3	Very low	106 Å²	106	139.4 Å²	139.4	64%	0.642	76%	0.763	S	S	*	*				62.4	103.4	51.5	-174.1	0	0	0	0	108
157	D	31.3	Very low	31.4	Very low	137 Å²	137	138.6 Å²	138.6	73%	0.733	76%	0.764	S	S	*	*				-153	157.1	56.9	-94.7	-47.9	0	0	0	116.3
158	V	37.7	Very low	30.8	Very low	128 Å²	128	140.7 Å²	140.7	78%	0.776	77%	0.769	S	S	*	*			trans	40.9	137	131.2	-175.6	0	0	0	0	120.2
159	S	30.5	Very low	30.9	Very low	92 Å²	92	138 Å²	138	64%	0.643	76%	0.764	S	S	*	*			cis	-149.1	151.5	8	40.6	0	0	0	0	110.3
160	S	33	Very low	30.9	Very low	107 Å²	107	130.9 Å²	130.9	75%	0.748	75%	0.751	S	S	*	*				47.6	142	88.8	-26.9	0	0	0	0	114.8
161	S	34.6	Very low	31.4	Very low	108 Å²	108	131.9 Å²	131.9	76%	0.755	76%	0.755	S	S	*	*			cis	-177.8	173.2	-1.7	-113.4	0	0	0	0	108.8
162	S	33.5	Very low	32.4	Very low	103 Å²	103	129.6 Å²	129.6	72%	0.72	75%	0.748	S	S	*	*			cis	175.4	139.3	-35.6	51.4	0	0	0	0	107.7
163	S	27.8	Very low	32.8	Very low	119 Å²	119	134.3 Å²	134.3	83%	0.832	75%	0.749	S	S	*	*			trans	-152.8	128.5	171.9	-165.2	0	0	0	0	114.7
164	D	31.6	Very low	33.1	Very low	146 Å²	146	132.1 Å²	132.1	78%	0.781	75%	0.746	S	S	*	*			trans	-81.3	-171.7	162.4	-46.2	-78.4	0	0	0	109.1
165	S	36	Very low	33.3	Very low	105 Å²	105	129.6 Å²	129.6	73%	0.734	74%	0.742	S	S	*	*			cis	-159.9	174.4	18.6	64.5	0	0	0	0	114.9
166	D	32.8	Very low	33.9	Very low	137 Å²	137	131 Å²	131	73%	0.733	74%	0.74	S	S	*	*			trans	-44.3	177.1	167.1	-46.4	-78.5	0	0	0	116.9
167	T	30.2	Very low	33.8	Very low	124 Å²	124	134.9 Å²	134.9	76%	0.761	74%	0.743	S	S	*	*			cis	-167.7	157.6	30.3	-22.3	0	0	0	0	114.9
168	D	30.2	Very low	34.1	Very low	141 Å²	141	133 Å²	133	75%	0.754	74%	0.736	S	S	*	*			trans	82.9	161.2	136.1	-118.8	-32.7	0	0	0	126.9
169	N	30.7	Very low	33.9	Very low	134 Å²	134	135.8 Å²	135.8	72%	0.717	74%	0.738	S	S	*	*			trans	98.9	72.2	159.7	-68.2	-56	0	0	0	123.7
170	S	32	Very low	34	Very low	90 Å²	90	136.9 Å²	136.9	63%	0.629	74%	0.737	S	S	*	*				75.2	123.2	114.2	74.7	0	0	0	0	125.7
171	L	36.2	Very low	33.8	Very low	163 Å²	163	135.2 Å²	135.2	85%	0.853	74%	0.737	S	S	*	*			trans	74.1	165	136.2	-71.1	175.5	0	0	0	121.4
172	P	51.8	Low	33.6	Very low	90 Å²	90	136 Å²	136	58%	0.584	74%	0.742	S	S	*	*			cis	-138.6	158.5	-13	29.6	-7.7	0	0	0	118.8
173	R	34.6	Very low	33.4	Very low	207 Å²	207	137.4 Å²	137.4	78%	0.781	75%	0.746	S	S	*	*			trans	66.9	159.8	152.4	-62.7	159.6	-171.4	161.9	2.9	117.2
174	F	32.5	Very low	34.2	Very low	185 Å²	185	137.1 Å²	137.1	81%	0.811	74%	0.742	S	S	*	*			cis	-134.1	167.9	16.7	-87.2	-89.5	0	0	0	114.2
175	F	33	Very low	35.1	Very low	191 Å²	191	135.4 Å²	135.4	84%	0.838	74%	0.739	S	S	*	*			trans	-81.1	-176.2	167.9	-43	-77	0	0	0	110.8
176	I	39	Very low	35.4	Very low	139 Å²	139	135.2 Å²	135.2	71%	0.713	74%	0.735	S	S	*	*			cis	-167.8	177.5	22.3	-146.3	-174.5	0	0	0	107.3
177	R	31.7	Very low	35.1	Very low	187 Å²	187	138.8 Å²	138.8	71%	0.706	74%	0.738	S	S	*	*			cis	-165.7	142.9	4.6	-162.2	-160.9	-162.5	107.9	1.4	110.7
178	T	35.8	Very low	35	Very low	96 Å²	96	139.6 Å²	139.6	59%	0.589	74%	0.738	S	S	*	*			trans	61.6	163.8	152.2	46.9	0	0	0	0	118.7	D180	T178-D180 WeakPolarHBondContact CG2-OD1 3.46Å
179	K	34.8	Very low	35	Very low	187 Å²	187	141.8 Å²	141.8	81%	0.813	74%	0.744	S	S	*	*			cis	-149.6	162.7	12.4	-149.4	-175.1	176.1	-174.4	0	112.2
180	D	32.4	Very low	35.3	Very low	115 Å²	115	140.5 Å²	140.5	62%	0.615	74%	0.742	S	S	*	*				-151.4	140.4	-61	-79	-27.6	0	0	0	107.4	T178	T178-D180 WeakPolarHBondContact CG2-OD1 3.46Å
181	G	29.3	Very low	35.1	Very low	73 Å²	73	144.9 Å²	144.9	75%	0.753	75%	0.753	S	S	*	*			trans	87.4	141.4	157.9	0	0	0	0	0	117.7
182	S	30.4	Very low	34.7	Very low	124 Å²	124	144.6 Å²	144.6	87%	0.867	75%	0.752	S	S	*	*			cis	-152.3	149	-0.2	-66.6	0	0	0	0	112.1
183	T	29.3	Very low	34.2	Very low	132 Å²	132	144.7 Å²	144.7	81%	0.81	75%	0.753	S	S	*	*			trans	-109.8	-175.2	168.4	58.7	0	0	0	0	108.1
184	P	43.8	Very low	34.3	Very low	114 Å²	114	144.5 Å²	144.5	74%	0.74	76%	0.758	S	S	*	*			cis	-133.8	-128.9	10.1	32.1	-3.6	0	0	0	114.2
185	P	50.4	Low	34.1	Very low	109 Å²	109	141.1 Å²	141.1	71%	0.708	76%	0.758	S	S	*	*				-131.8	-144.8	-115.1	47.5	-26.9	0	0	0	111.2
186	P	43.2	Very low	34.1	Very low	101 Å²	101	141.3 Å²	141.3	66%	0.656	76%	0.758	S	S	*	*			cis	-134.7	-168.3	-19.4	40.8	-23.1	0	0	0	114.6
187	R	26.1	Very low	33.7	Very low	213 Å²	213	140.5 Å²	140.5	80%	0.804	76%	0.76	S	S	*	*			trans	91.5	121.9	145.6	-81.9	-176.7	-178.3	-179.4	1	121.9
188	D	27.5	Very low	33.7	Very low	140 Å²	140	137.3 Å²	137.3	75%	0.749	77%	0.765	S	S	*	*				79.5	127.3	129.6	-51.1	-16.7	0	0	0	121.8
189	Q	30.1	Very low	33.5	Very low	188 Å²	188	140.4 Å²	140.4	88%	0.879	78%	0.778	S	S	*	*			trans	-63.6	169.7	167.5	-92	180	-42.9	0	0	112.7
190	P	37.5	Very low	33.3	Very low	107 Å²	107	141 Å²	141	70%	0.695	78%	0.78	S	S	*	*			cis	-137.3	-159.1	20.6	33.4	-9.5	0	0	0	115.2
191	Q	28	Very low	33.2	Very low	182 Å²	182	143.5 Å²	143.5	85%	0.85	79%	0.793	S	S	*	*			trans	104.1	97.7	160.3	-56.3	-171.6	0.4	0	0	118.4
192	N	28.2	Very low	33.2	Very low	156 Å²	156	149.1 Å²	149.1	83%	0.834	80%	0.799	S	S	*	*			trans	-72.1	166.7	138.1	-107.3	-15.9	0	0	0	109.4
193	P	41.1	Very low	33.1	Very low	92 Å²	92	150.1 Å²	150.1	60%	0.597	80%	0.795	S	S	*	*			cis	-138.6	-171.6	-14.7	37.7	-17.8	0	0	0	114.1
194	F	35.5	Very low	33.1	Very low	203 Å²	203	151.6 Å²	151.6	89%	0.89	80%	0.797	S	S	*	*			trans	44	89.6	157.9	-65	-67.7	0	0	0	119.8
195	S	29.5	Very low	32.4	Very low	115 Å²	115	154.9 Å²	154.9	80%	0.804	80%	0.802	S	S	*	*			trans	-153.7	15.5	160.1	64.7	0	0	0	0	116.8
196	F	32	Very low	31.3	Very low	195 Å²	195	156.7 Å²	156.7	86%	0.855	81%	0.811	S	S	*	*			trans	-131	133.1	167.1	-99.9	-118.7	0	0	0	106.3
197	V	31.2	Very low	30.5	Very low	122 Å²	122	155.2 Å²	155.2	74%	0.739	81%	0.814	S	S	*	*	S	Bend	cis	-132.3	109	10.3	177.7	0	0	0	0	110.6
198	C	32.8	Very low	30.5	Very low	120 Å²	120	151.5 Å²	151.5	81%	0.811	81%	0.811	S	S	*	*			trans	-144.1	99.4	160.9	-78.4	0	0	0	0	107.9
199	N	30.7	Very low	30.7	Very low	161 Å²	161	153.3 Å²	153.3	86%	0.861	82%	0.815	S	S	*	*	S	Bend	trans	156.2	64.9	159.5	-82.4	-9.4	0	0	0	111.7
200	K	30.9	Very low	30.5	Very low	198 Å²	198	148 Å²	148	86%	0.861	81%	0.81	S	S	*	*	S	Bend	trans	-160.7	146	150	-115.3	177.7	-179.2	-177.1	0	107.8
201	L	29.5	Very low	30	Very low	169 Å²	169	151 Å²	151	89%	0.885	81%	0.814	S	S	*	*			trans	74.6	30.8	-174.3	-48.6	176.3	0	0	0	116.1
202	E	30.6	Very low	30.5	Very low	191 Å²	191	148.9 Å²	148.9	89%	0.893	81%	0.814	S	S	*	*				-81.5	97.7	120.4	-81.7	-167.7	139	0	0	106.5
203	D	27.5	Very low	30.5	Very low	145 Å²	145	147.9 Å²	147.9	78%	0.775	81%	0.808	S	S	*	*	S	Bend	trans	-176.3	147.1	137.6	-112	-30.7	0	0	0	110.9
204	L	29.8	Very low	29.9	Very low	162 Å²	162	150.7 Å²	150.7	85%	0.848	82%	0.817	S	S	*	*			trans	61.8	89.7	173.8	-55.5	-176.4	0	0	0	117.7
205	Q	28.5	Very low	29.7	Very low	183 Å²	183	147.1 Å²	147.1	86%	0.855	81%	0.814	S	S	*	*			trans	-53.9	151	141.5	-61.3	169.4	-29.7	0	0	111.2
206	V	27.7	Very low	29.6	Very low	147 Å²	147	150.3 Å²	150.3	89%	0.891	82%	0.816	S	S	*	*			trans	144.4	127.8	135.2	164.9	0	0	0	0	111.4
207	G	25.4	Very low	29.6	Very low	70 Å²	70	144.7 Å²	144.7	72%	0.722	81%	0.813	S	S	*	*			trans	106.8	89.5	145.1	0	0	0	0	0	119
208	N	26.8	Very low	29.3	Very low	136 Å²	136	150.2 Å²	150.2	73%	0.727	82%	0.821	S	S	*	*			trans	70.1	105.6	135.7	-135.7	78.7	0	0	0	121.7
209	E	30.9	Very low	29.1	Very low	178 Å²	178	151.8 Å²	151.8	83%	0.832	82%	0.821	S	S	*	*			trans	46.5	120.3	136.8	-53.5	179.6	135.3	0	0	120.9
210	G	26.5	Very low	28.9	Very low	75 Å²	75	151 Å²	151	77%	0.773	81%	0.812	S	S	*	*			trans	163.5	34	164.2	0	0	0	0	0	117.7
211	H	27.6	Very low	28.7	Very low	172 Å²	172	148 Å²	148	80%	0.796	81%	0.81	S	S	*	*			trans	-105.1	117.8	-177.6	-95.7	-85.3	0	0	0	114.7
212	T	38.3	Very low	29.2	Very low	136 Å²	136	147.9 Å²	147.9	83%	0.834	81%	0.809	S	S	*	*			trans	-62.1	133.2	152	-52	0	0	0	0	108.9
213	D	26.9	Very low	29	Very low	136 Å²	136	141.8 Å²	141.8	73%	0.727	80%	0.797	S	S	*	*			trans	-142.8	157.3	177.9	-105.3	-46.3	0	0	0	114.8
214	I	29.8	Very low	29.2	Very low	150 Å²	150	142.8 Å²	142.8	77%	0.769	80%	0.802	S	S	*	*			trans	-100.4	134.1	-172.8	-62.3	165.9	0	0	0	109.4	E216	I214-E216 PolarHBondContact O-N 2.73Å
215	P	30.2	Very low	29.4	Very low	128 Å²	128	138.3 Å²	138.3	83%	0.831	80%	0.796	S	S	*	*			trans	-87.7	100	-175.5	33.2	-34	0	0	0	113.2
216	E	27.3	Very low	30	Very low	183 Å²	183	134.2 Å²	134.2	86%	0.855	79%	0.787	S	S	*	*			trans	-106.6	151.5	159.2	-76	-159.3	142.9	0	0	112.2	I214 R218	I214-E216 PolarHBondContact O-N 2.73Å; E216-R218 PolarHBondContact O-N 3.41Å
217	G	33.5	Very low	31.4	Very low	77 Å²	77	131.9 Å²	131.9	79%	0.794	77%	0.773	S	S	*	*			trans	69.6	26.9	145	0	0	0	0	0	119.5	N219	G217-N219 PolarHBondContact O-N 3.1Å; G217-N219 VanDerWaalsContact O-N 3.1Å
218	R	24.5	Very low	33.6	Very low	238 Å²	238	133 Å²	133	90%	0.898	76%	0.759	S	S	*	*			trans	-76	100.4	175.3	-154.6	179.7	-157.3	-149.3	5.8	111.8	E216 E220	E216-R218 PolarHBondContact O-N 3.41Å; R218-E220 PolarHBondContact O-N 3.04Å; R218-E220 VanDerWaalsContact O-N 3.09Å
219	N	28	Very low	36.2	Very low	152 Å²	152	128.5 Å²	128.5	81%	0.813	73%	0.734	S	S	*	*			trans	-59.5	109.9	164	-79.6	-47.8	0	0	0	109.4	G217 V221	G217-N219 PolarHBondContact O-N 3.1Å; G217-N219 VanDerWaalsContact O-N 3.1Å; N219-V221 PolarHBondContact O-N 2.93Å; N219-V221 VanDerWaalsContact O-N 3.07Å
220	E	26.7	Very low	38.6	Very low	144 Å²	144	120.1 Å²	120.1	67%	0.673	69%	0.694	S	S	*	*			trans	-68	103.9	172.9	-73.7	-176.3	143.2	0	0	109.2	R218 I222 R232	R218-E220 PolarHBondContact O-N 3.04Å; R218-E220 VanDerWaalsContact O-N 3.09Å; E220-I222 PolarHBondContact O-N 2.89Å; E220-R232 IonicContact OE1-NH1 2.69Å; E220-R232 PolarHBondContact OE1-NH1 3.05Å; E220-R232 IonicContact OE2-NH1 3.61Å; E220-R232 PolarHBondContact OE2-NH1 3.37Å
221	V	27.1	Very low	41.1	Very low	136 Å²	136	117.2 Å²	117.2	82%	0.824	66%	0.662	S	S	*	*			trans	-57.4	127.8	161.4	175.1	0	0	0	0	107.3	N219 G223	N219-V221 PolarHBondContact O-N 2.93Å; N219-V221 VanDerWaalsContact O-N 3.07Å; V221-G223 PolarHBondContact O-N 3.45Å
222	I	39.4	Very low	43.5	Very low	166 Å²	166	115.8 Å²	115.8	85%	0.851	65%	0.65	S	S	*	*			trans	-62.4	102.6	-176.2	-61.2	174.9	0	0	0	109.2	E220	E220-I222 PolarHBondContact O-N 2.89Å
223	G	27	Very low	45.5	Very low	63 Å²	63	110.7 Å²	110.7	65%	0.649	63%	0.625	S	S	*	*			trans	-74.7	145.8	169.8	0	0	0	0	0	110.9	V221	V221-G223 PolarHBondContact O-N 3.45Å
224	D	30.8	Very low	47.8	Very low	166 Å²	166	104.4 Å²	104.4	89%	0.888	59%	0.591	S	S	*	*	S	Bend	trans	-74.4	155.3	-169.1	-158.8	2.8	0	0	0	113.9	S226	D224-S226 PolarHBondContact O-N 3.07Å; D224-S226 VanDerWaalsContact O-N 3.1Å
225	G	35.1	Very low	50.1	Low	69 Å²	69	100.6 Å²	100.6	71%	0.711	57%	0.569	S	S	*	*	S	Bend	trans	83.3	-45.1	158.2	0	0	0	0	0	119.8	V227	G225-V227 PolarHBondContact O-N 2.6Å
226	S	40.3	Very low	51.9	Low	96 Å²	96	98.2 Å²	98.2	67%	0.671	54%	0.543	S	S	*	.			trans	-85.1	113.7	-163.9	70.1	0	0	0	0	115.4	D224 Q228	D224-S226 PolarHBondContact O-N 3.07Å; D224-S226 VanDerWaalsContact O-N 3.1Å; S226-Q228 PolarHBondContact O-N 3.34Å
227	V	56.7	Low	53.7	Low	98 Å²	98	91.4 Å²	91.4	59%	0.594	52%	0.516	S	S	*	.			trans	-76.5	114.9	168.2	-174.4	0	0	0	0	109.2	G225	G225-V227 PolarHBondContact O-N 2.6Å
228	Q	71.8	Confident	55.3	Low	93 Å²	93	91.7 Å²	91.7	44%	0.435	50%	0.496	S	S	.	.			trans	-75.2	132.3	173.7	-68.6	179.7	1.3	0	0	110.5	S226	S226-Q228 PolarHBondContact O-N 3.34Å
229	F	81.2	Confident	57.4	Low	43 Å²	43	90.8 Å²	90.8	19%	0.189	50%	0.499	C	S	.	.	S	Bend	trans	-69.1	-43.7	-179.1	169.7	-108.8	0	0	0	112.5	R236 W391 Q393 H679 Q681	F229-R236 PolarHBondContact O-NH2 2.98Å; F229-W391 HydrophobicContact CE1-CB 4.2Å; F229-W391 AromaticContact CE2-CD1 3.73Å; F229-W391 HydrophobicContact CZ-CB 4.49Å; F229-W391 AromaticContact CZ-CD1 3.63Å; F229-W391 HydrophobicContact CZ-CG 4.47Å; F229-Q393 HydrophobicContact CD1-CB 4.44Å; F229-H679 HydrophobicContact CE2-CB 4.42Å; F229-H679 HydrophobicContact CZ-CB 4.07Å; F229-H679 WeakPolarHBondContact CZ-O 3.47Å; F229-Q681 HydrophobicContact CD1-CB 3.9Å; F229-Q681 HydrophobicContact CD1-CG 3.93Å; F229-Q681 VanDerWaalsContact CD2-CD 3.42Å; F229-Q681 HydrophobicContact CD2-CG 3.73Å; F229-Q681 HydrophobicContact CE1-CB 3.77Å; F229-Q681 HydrophobicContact CE1-CG 3.87Å; F229-Q681 HydrophobicContact CE2-CB 4.47Å; F229-Q681 HydrophobicContact CE2-CG 3.66Å; F229-Q681 HydrophobicContact CG-CB 4.31Å; F229-Q681 VanDerWaalsContact CG-CD 3.41Å; F229-Q681 HydrophobicContact CG-CG 3.86Å; F229-Q681 HydrophobicContact CZ-CB 4.06Å; F229-Q681 HydrophobicContact CZ-CG 3.72Å
230	V	81.1	Confident	59.9	Low	1 Å²	1	87.5 Å²	87.5	1%	0.006	48%	0.475	C	S	.	.	S	Bend	trans	-81.9	129.3	176.1	-174.7	0	0	0	0	109	R232 W391 Q393 E402 A404	V230-R232 PolarHBondContact O-N 3.09Å; V230-W391 HydrophobicContact CG1-CB 4.39Å; V230-W391 HydrophobicContact CG2-CB 4.35Å; V230-Q393 HydrophobicContact CG2-CB 4.29Å; V230-E402 HydrophobicContact CB-CG 4.1Å; V230-E402 HydrophobicContact CG1-CG 4.02Å; V230-E402 HydrophobicContact CG2-CB 4.01Å; V230-E402 HydrophobicContact CG2-CG 4.02Å; V230-A404 HydrophobicContact CG1-CB 3.41Å; V230-A404 VanDerWaalsContact CG1-CB 3.41Å
231	P	80.4	Confident	62.5	Low	15 Å²	15	84.5 Å²	84.5	10%	0.097	46%	0.464	C	S	.	.			trans	-81.4	118.5	-175.7	32.3	-33.9	0	0	0	111.2	G233 R236 W391 A404 F406	P231-G233 VanDerWaalsContact C-N 3.29Å; P231-G233 PolarHBondContact O-N 3.2Å; P231-R236 HydrophobicContact CB-CG 4.09Å; P231-W391 HydrophobicContact CG-CD2 4.03Å; P231-W391 HydrophobicContact CG-CE3 3.65Å; P231-W391 HydrophobicContact CG-CG 4.45Å; P231-W391 HydrophobicContact CG-CZ3 4.16Å; P231-A404 HydrophobicContact CG-CB 4.44Å; P231-F406 HydrophobicContact CG-CE1 4.45Å
232	R	78.6	Confident	65.6	Low	141 Å²	141	78.4 Å²	78.4	53%	0.532	43%	0.429	S	S	.	.	S	Bend	trans	-67.5	-28.4	169.6	-65.5	-171.7	-178.6	-171	-2.2	112.5	E220 V230 K485	E220-R232 IonicContact OE1-NH1 2.69Å; E220-R232 PolarHBondContact OE1-NH1 3.05Å; E220-R232 IonicContact OE2-NH1 3.61Å; E220-R232 PolarHBondContact OE2-NH1 3.37Å; V230-R232 PolarHBondContact O-N 3.09Å; R232-K485 PolarHBondContact O-NZ 3.08Å
233	G	78.7	Confident	68.2	Low	30 Å²	30	70.9 Å²	70.9	31%	0.309	39%	0.39	S	S	.	.	S	Bend	trans	-107.4	171.6	179.7	0	0	0	0	0	114.8	P231 F235	P231-G233 VanDerWaalsContact C-N 3.29Å; P231-G233 PolarHBondContact O-N 3.2Å; G233-F235 VanDerWaalsContact C-N 3.34Å
234	L	76.4	Confident	71.3	Confident	3 Å²	3	71.2 Å²	71.2	2%	0.016	38%	0.381	C	S	.	.	S	Bend	trans	-74.6	-28.3	164.9	-66.1	167.3	0	0	0	112.8	F406 D451 H453 R483 K485	L234-F406 HydrophobicContact CD2-CB 4Å; L234-D451 VanDerWaalsContact CD1-O 3.31Å; L234-D451 WeakPolarHBondContact CD1-O 3.22Å; L234-D451 WeakPolarHBondContact CD1-OD1 3.32Å; L234-H453 WeakPolarHBondContact CD1-CD2 3.12Å; L234-R483 HydrophobicContact CD2-CG 4.21Å; L234-R483 PolarHBondContact O-NH1 2.97Å; L234-K485 HydrophobicContact CD2-CG 3.8Å
235	F	77.9	Confident	74.3	Confident	70 Å²	70	63.6 Å²	63.6	31%	0.307	34%	0.34	S	S	.	.			trans	-94.6	140.6	171	-60	-54.2	0	0	0	108.7	G233 E362 F365 H453	G233-F235 VanDerWaalsContact C-N 3.34Å; F235-E362 VanDerWaalsContact CA-OE1 3.32Å; F235-E362 WeakPolarHBondContact CA-OE1 3.27Å; F235-E362 HydrophobicContact CD1-CB 4.4Å; F235-E362 HydrophobicContact CD1-CG 3.75Å; F235-E362 HydrophobicContact CE1-CG 4.39Å; F235-F365 HydrophobicContact CE1-CD1 4.21Å; F235-F365 HydrophobicContact CE1-CE1 4.44Å; F235-F365 HydrophobicContact CZ-CD1 4.45Å; F235-F365 HydrophobicContact CZ-CE1 4.34Å; F235-H453 AromaticContact CD2-NE2 3.87Å; F235-H453 AromaticContact CE2-CD2 3.15Å; F235-H453 WeakPolarHBondContact CE2-CD2 3.49Å; F235-H453 AromaticContact CE2-NE2 3.22Å; F235-H453 WeakPolarHBondContact CE2-NE2 3.45Å; F235-H453 AromaticContact CZ-CD2 3.29Å; F235-H453 WeakPolarHBondContact CZ-CD2 3.44Å; F235-H453 AromaticContact CZ-NE2 3.89Å
236	R	66.8	Low	77.1	Confident	78 Å²	78	61.6 Å²	61.6	29%	0.294	31%	0.313	S	S	.	.			trans	-120.4	-17.9	-171.4	-69.1	174.3	129.4	-83	-24.7	111.5	F229 P231 V358 E362 F406	F229-R236 PolarHBondContact O-NH2 2.98Å; P231-R236 HydrophobicContact CB-CG 4.09Å; R236-V358 HydrophobicContact CB-CG1 3.57Å; R236-E362 PolarHBondContact N-OE1 2.89Å; R236-F406 HydrophobicContact CG-CE1 4.38Å
237	S	66.8	Low	79.6	Confident	40 Å²	40	57.1 Å²	57.1	28%	0.28	28%	0.281	S	S	.	.			trans	-61.1	136.1	176.3	64.1	0	0	0	0	111.3	V358 S359 E362	S237-V358 VanDerWaalsContact N-CG1 3.33Å; S237-S359 VanDerWaalsContact CB-OG 3.28Å; S237-S359 WeakPolarHBondContact CB-OG 3.09Å; S237-E362 WeakPolarHBondContact CB-OE2 3.34Å; S237-E362 PolarHBondContact N-OE1 2.59Å; S237-E362 PolarHBondContact OG-OE2 3.3Å
238	Q	66.9	Low	81.3	Confident	83 Å²	83	55.2 Å²	55.2	39%	0.388	26%	0.263	S	S	.	.			trans	-82.7	142.6	159.2	-68	-175	-17.9	0	0	108.2	R240 D355	Q238-R240 HydrophobicContact CB-CG 4.11Å; Q238-R240 PolarHBondContact O-N 2.92Å; Q238-D355 PolarHBondContact N-OD1 2.85Å; Q238-D355 VanDerWaalsContact N-OD1 3.09Å
239	K	67.2	Low	82	Confident	219 Å²	219	54 Å²	54	95%	0.952	26%	0.259	S	S	*	.			trans	-72.3	74.1	175.2	-72.9	-174	177.3	178.5	0	111
240	R	80.2	Confident	82.2	Confident	83 Å²	83	54.2 Å²	54.2	31%	0.313	27%	0.265	S	S	.	.			trans	-84.5	147.6	175.9	-61.1	-162.9	178.4	-176.2	-5.1	111.1	Q238 G242 W243 D352 D355	Q238-R240 HydrophobicContact CB-CG 4.11Å; Q238-R240 PolarHBondContact O-N 2.92Å; R240-G242 VanDerWaalsContact C-N 3.26Å; R240-G242 PolarHBondContact O-N 2.92Å; R240-W243 HydrophobicContact CB-CZ2 4.44Å; R240-D352 IonicContact CZ-OD1 3.76Å; R240-D352 IonicContact NH1-OD1 3.29Å; R240-D352 PolarHBondContact NH1-OD1 3.29Å; R240-D355 WeakPolarHBondContact CD-OD2 3.32Å; R240-D355 IonicContact CZ-OD2 3.39Å; R240-D355 IonicContact NE-OD2 2.79Å; R240-D355 PolarHBondContact NE-OD2 2.78Å
241	D	83.3	Confident	82.3	Confident	81 Å²	81	56.7 Å²	56.7	43%	0.433	28%	0.276	S	S	.	.	S	Bend	trans	-64.5	-29.7	173.8	175.1	46.7	0	0	0	112.4	Y265 R267 K280	D241-Y265 PolarHBondContact OD2-OH 2.73Å; D241-R267 VanDerWaalsContact CG-NH2 3.33Å; D241-R267 WeakPolarHBondContact O-CD 3.33Å; D241-R267 WeakPolarHBondContact O-CG 3.4Å; D241-R267 PolarHBondContact O-NE 3.28Å; D241-R267 IonicContact OD1-CZ 2.85Å; D241-R267 VanDerWaalsContact OD1-CZ 3.29Å; D241-R267 IonicContact OD1-NE 3.66Å; D241-R267 PolarHBondContact OD1-NE 2.76Å; D241-R267 IonicContact OD1-NH2 2.68Å; D241-R267 PolarHBondContact OD1-NH2 2.68Å; D241-R267 IonicContact OD2-CZ 2.73Å; D241-R267 IonicContact OD2-NE 2.63Å; D241-R267 IonicContact OD2-NH2 3.19Å; D241-R267 PolarHBondContact OD2-NH2 2.86Å; D241-K280 IonicContact OD2-NZ 2.77Å
242	G	90.3	Very high	82.2	Confident	9 Å²	9	62.3 Å²	62.3	9%	0.093	30%	0.299	C	S	.	.			trans	155.9	170.5	-179	0	0	0	0	0	113.1	R240 Y265 L266	R240-G242 VanDerWaalsContact C-N 3.26Å; R240-G242 PolarHBondContact O-N 2.92Å; G242-Y265 VanDerWaalsContact C-CE2 3.46Å; G242-Y265 VanDerWaalsContact C-CZ 3.44Å; G242-Y265 WeakPolarHBondContact CA-OH 3.17Å; G242-Y265 PolarHBondContact N-OH 3.48Å; G242-Y265 VanDerWaalsContact O-CE2 3.31Å; G242-Y265 WeakPolarHBondContact O-CE2 3.31Å; G242-Y265 PolarHBondContact O-OH 2.85Å; G242-L266 CarbonylContact C-O 3.41Å; G242-L266 WeakPolarHBondContact CA-O 3.16Å
243	W	93.9	Very high	82	Confident	7 Å²	7	63 Å²	63	3%	0.027	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	138.5	-168.9	-54.2	-97.1	0	0	0	112.5	R240 V245 L266 L268 D352 D355 L356 S359	R240-W243 HydrophobicContact CB-CZ2 4.44Å; W243-V245 HydrophobicContact CB-CG1 4.06Å; W243-V245 PolarHBondContact O-N 2.91Å; W243-L266 PolarHBondContact N-O 3.23Å; W243-L266 PolarHBondContact O-N 3.19Å; W243-L268 HydrophobicContact CH2-CB 4.03Å; W243-L268 HydrophobicContact CZ3-CB 3.69Å; W243-D352 VanDerWaalsContact CD1-O 3.23Å; W243-D355 PolarHBondContact NE1-OD2 3.38Å; W243-L356 HydrophobicContact CD2-CB 4.17Å; W243-L356 HydrophobicContact CD2-CD1 3.73Å; W243-L356 HydrophobicContact CE3-CD1 3.51Å; W243-L356 HydrophobicContact CG-CB 4.17Å; W243-L356 HydrophobicContact CG-CD1 4.3Å; W243-L356 HydrophobicContact CH2-CD1 4.38Å; W243-L356 HydrophobicContact CZ3-CD1 3.86Å; W243-S359 WeakPolarHBondContact CZ2-OG 3.49Å
244	P	93.4	Very high	81.8	Confident	71 Å²	71	66.1 Å²	66.1	46%	0.461	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	111	169.1	32	-30.7	0	0	0	110.1	S347	P244-S347 PolarHBondContact O-OG 2.87Å
245	V	94.2	Very high	81.7	Confident	5 Å²	5	77.4 Å²	77.4	3%	0.03	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	166.5	-176.5	-61.3	0	0	0	0	111.6	W243 I264 L266 F345 M353 L356	W243-V245 HydrophobicContact CB-CG1 4.06Å; W243-V245 PolarHBondContact O-N 2.91Å; V245-I264 HydrophobicContact CG2-CD1 3.99Å; V245-I264 HydrophobicContact CG2-CG1 3.75Å; V245-I264 PolarHBondContact N-O 3.45Å; V245-I264 VanDerWaalsContact N-O 3.12Å; V245-I264 WeakPolarHBondContact O-CG1 3.45Å; V245-I264 PolarHBondContact O-N 2.89Å; V245-L266 HydrophobicContact CG2-CB 3.83Å; V245-L266 HydrophobicContact CG2-CD2 4.07Å; V245-F345 HydrophobicContact CG2-CD1 4.01Å; V245-M353 HydrophobicContact CG1-SD 4.43Å; V245-L356 HydrophobicContact CG1-CD2 4.07Å
246	M	92.9	Very high	81.5	Confident	28 Å²	28	82.3 Å²	82.3	14%	0.138	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	135.1	171.5	-67.2	166.3	-77.7	0	0	110.3	W261 G262 Y305 V311 F345 G346	M246-W261 HydrophobicContact CB-CB 4.31Å; M246-W261 HydrophobicContact CB-CD2 4.48Å; M246-W261 HydrophobicContact CB-CE3 3.84Å; M246-W261 WeakPolarHBondContact O-CZ3 3.3Å; M246-G262 CarbonylContact C-O 3.59Å; M246-G262 VanDerWaalsContact CA-O 3.24Å; M246-G262 WeakPolarHBondContact CA-O 3.34Å; M246-Y305 HydrophobicContact SD-CE1 4.36Å; M246-V311 HydrophobicContact CE-CB 4.5Å; M246-V311 HydrophobicContact CE-CG1 3.68Å; M246-F345 CarbonylContact O-C 3.58Å; M246-F345 WeakPolarHBondContact O-CA 3.27Å; M246-G346 WeakPolarHBondContact CB-O 3.37Å; M246-G346 PolarHBondContact N-O 3.09Å; M246-G346 PolarHBondContact O-N 3.36Å
247	L	93.6	Very high	81.9	Confident	1 Å²	1	80.3 Å²	80.3	1%	0.005	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	138.7	172.6	179.6	64.3	0	0	0	110.7	I249 W261 G262 I264 M276 L343 F345	L247-I249 HydrophobicContact CB-CG1 4.39Å; L247-I249 HydrophobicContact CD2-CD1 4.2Å; L247-I249 HydrophobicContact CD2-CG1 4.04Å; L247-I249 HydrophobicContact CG-CD1 4.42Å; L247-I249 HydrophobicContact CG-CG1 3.93Å; L247-W261 WeakPolarHBondContact O-CA 3.34Å; L247-G262 PolarHBondContact N-O 3.45Å; L247-G262 PolarHBondContact O-N 2.83Å; L247-I264 HydrophobicContact CB-CD1 4.05Å; L247-I264 HydrophobicContact CB-CG1 4.37Å; L247-I264 HydrophobicContact CB-CG2 4.26Å; L247-M276 HydrophobicContact CD2-SD 3.82Å; L247-L343 HydrophobicContact CD1-CD2 4.37Å; L247-F345 HydrophobicContact CD1-CD1 3.99Å; L247-F345 HydrophobicContact CD1-CE1 3.85Å
248	R	90.9	Very high	82.5	Confident	59 Å²	59	83.3 Å²	83.3	22%	0.223	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	110.3	175.5	-163.3	77.6	175.3	133.6	6.5	111.1	R259 Q260 W261 K344	R248-R259 HydrophobicContact CG-CB 4.32Å; R248-R259 PolarHBondContact NH1-O 3.21Å; R248-R259 VanDerWaalsContact NH1-O 3.08Å; R248-R259 PolarHBondContact NH2-O 3.27Å; R248-Q260 WeakPolarHBondContact CA-O 3.44Å; R248-Q260 VanDerWaalsContact NH1-CA 3.26Å; R248-Q260 PolarHBondContact NH1-O 2.95Å; R248-W261 HydrophobicContact CB-CD2 4.38Å; R248-W261 HydrophobicContact CB-CE3 3.91Å; R248-W261 HydrophobicContact CB-CH2 4.27Å; R248-W261 HydrophobicContact CB-CZ3 3.84Å; R248-W261 VanDerWaalsContact CD-CD2 3.46Å; R248-K344 HydrophobicContact CB-CB 3.97Å; R248-K344 PolarHBondContact N-O 3.16Å
249	I	87.4	Confident	83.5	Confident	66 Å²	66	83 Å²	83	34%	0.338	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	136.5	-173.1	-56.8	174.4	0	0	0	109.8	L247 R259 Q260	L247-I249 HydrophobicContact CB-CG1 4.39Å; L247-I249 HydrophobicContact CD2-CD1 4.2Å; L247-I249 HydrophobicContact CD2-CG1 4.04Å; L247-I249 HydrophobicContact CG-CD1 4.42Å; L247-I249 HydrophobicContact CG-CG1 3.93Å; I249-R259 CarbonylContact O-C 3.59Å; I249-R259 VanDerWaalsContact O-CA 3.32Å; I249-R259 WeakPolarHBondContact O-CA 3.46Å; I249-Q260 PolarHBondContact N-O 3.16Å; I249-Q260 PolarHBondContact O-N 3Å
250	P	84.9	Confident	84.4	Confident	49 Å²	49	79 Å²	79	32%	0.318	38%	0.383	S	S	.	.	S	Bend	cis	-74.9	148.7	-6	30.9	-35.9	0	0	0	113.4	K252 S258 R259	P250-K252 PolarHBondContact O-N 3.43Å; P250-S258 WeakPolarHBondContact CD-O 3.42Å; P250-R259 HydrophobicContact CG-CG 4.37Å; P250-R259 WeakPolarHBondContact O-CG 3.41Å; P250-R259 PolarHBondContact O-NE 3.05Å
251	E	83.7	Confident	84.9	Confident	52 Å²	52	76.2 Å²	76.2	24%	0.243	37%	0.372	C	S	.	.	S	Bend	trans	-58.9	-41.7	-177.2	-74.2	152	-138.2	0	0	112.7	R259 K287 L343	E251-R259 PolarHBondContact O-NH2 3.43Å; E251-K287 IonicContact OE1-NZ 3.87Å; E251-K287 PolarHBondContact OE1-NZ 3.12Å; E251-K287 IonicContact OE2-NZ 2.76Å; E251-K287 PolarHBondContact OE2-NZ 2.86Å; E251-L343 HydrophobicContact CG-CD2 4Å
252	K	78.8	Confident	85.3	Confident	133 Å²	133	73.2 Å²	73.2	58%	0.578	36%	0.36	S	S	*	.	S	Bend	trans	-102.6	131.2	169.9	-59.3	-163.5	-177.2	-164.8	0	110.1	P250 N254 E340	P250-K252 PolarHBondContact O-N 3.43Å; K252-N254 PolarHBondContact O-N 3.38Å; K252-E340 WeakPolarHBondContact CE-OE1 3.34Å; K252-E340 IonicContact NZ-OE1 2.72Å; K252-E340 PolarHBondContact NZ-OE1 3.18Å; K252-E340 IonicContact NZ-OE2 2.68Å
253	K	74.9	Confident	85.4	Confident	155 Å²	155	77.7 Å²	77.7	67%	0.674	39%	0.388	S	S	*	.			trans	-78.9	108.5	-178.4	-178.5	-172.6	176.2	-171.9	0	109.7
254	N	74	Confident	85.5	Confident	96 Å²	96	77.9 Å²	77.9	51%	0.513	39%	0.39	S	S	.	.			trans	-73.3	147.9	164.4	-169.4	-25	0	0	0	109.2	K252 M256 S257	K252-N254 PolarHBondContact O-N 3.38Å; N254-M256 PolarHBondContact O-N 3.39Å; N254-M256 VanDerWaalsContact O-N 3.1Å; N254-M256 PolarHBondContact OD1-N 2.81Å; N254-S257 WeakPolarHBondContact CB-OG 3.48Å; N254-S257 PolarHBondContact N-OG 3.4Å; N254-S257 VanDerWaalsContact N-OG 3.09Å; N254-S257 PolarHBondContact O-N 2.91Å; N254-S257 VanDerWaalsContact O-N 3.13Å; N254-S257 PolarHBondContact O-OG 3.24Å; N254-S257 VanDerWaalsContact O-OG 3.12Å
255	R	73.6	Confident	85.5	Confident	241 Å²	241	75.1 Å²	75.1	91%	0.909	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-29.3	177	-179	174.8	174.5	173	-1.9	112.7
256	M	73.5	Confident	85.6	Confident	173 Å²	173	74.9 Å²	74.9	85%	0.852	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	2.1	-177.1	-57.5	-176.1	-67.5	0	0	114.3	N254	N254-M256 PolarHBondContact O-N 3.39Å; N254-M256 VanDerWaalsContact O-N 3.1Å; N254-M256 PolarHBondContact OD1-N 2.81Å
257	S	76.4	Confident	85.6	Confident	36 Å²	36	75.7 Å²	75.7	25%	0.252	37%	0.37	S	S	.	.			trans	-107	128	-179	64.6	0	0	0	0	112.3	N254	N254-S257 WeakPolarHBondContact CB-OG 3.48Å; N254-S257 PolarHBondContact N-OG 3.4Å; N254-S257 VanDerWaalsContact N-OG 3.09Å; N254-S257 PolarHBondContact O-N 2.91Å; N254-S257 VanDerWaalsContact O-N 3.13Å; N254-S257 PolarHBondContact O-OG 3.24Å; N254-S257 VanDerWaalsContact O-OG 3.12Å
258	S	79.6	Confident	85.6	Confident	103 Å²	103	76.9 Å²	76.9	72%	0.72	38%	0.376	S	S	*	.			trans	-65.7	155.2	157.8	56	0	0	0	0	110.3	P250	P250-S258 WeakPolarHBondContact CD-O 3.42Å
259	R	85.9	Confident	85.6	Confident	76 Å²	76	77.2 Å²	77.2	29%	0.287	38%	0.382	S	S	.	.			trans	-106.1	136.8	166.6	-80.6	176.9	170.1	157.7	-4.6	108.9	R248 I249 P250 E251	R248-R259 HydrophobicContact CG-CB 4.32Å; R248-R259 PolarHBondContact NH1-O 3.21Å; R248-R259 VanDerWaalsContact NH1-O 3.08Å; R248-R259 PolarHBondContact NH2-O 3.27Å; I249-R259 CarbonylContact O-C 3.59Å; I249-R259 VanDerWaalsContact O-CA 3.32Å; I249-R259 WeakPolarHBondContact O-CA 3.46Å; P250-R259 HydrophobicContact CG-CG 4.37Å; P250-R259 WeakPolarHBondContact O-CG 3.41Å; P250-R259 PolarHBondContact O-NE 3.05Å; E251-R259 PolarHBondContact O-NH2 3.43Å
260	Q	88	Confident	85.7	Confident	136 Å²	136	79.5 Å²	79.5	64%	0.636	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.5	170.9	171.9	64	-171.7	8.7	0	0	110.8	R248 I249	R248-Q260 WeakPolarHBondContact CA-O 3.44Å; R248-Q260 VanDerWaalsContact NH1-CA 3.26Å; R248-Q260 PolarHBondContact NH1-O 2.95Å; I249-Q260 PolarHBondContact N-O 3.16Å; I249-Q260 PolarHBondContact O-N 3Å
261	W	89.9	Confident	85.8	Confident	23 Å²	23	78.8 Å²	78.8	9%	0.087	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	131.5	170.9	-70.6	105	0	0	0	107.5	M246 L247 R248 Y305 V311 T313 K344	M246-W261 HydrophobicContact CB-CB 4.31Å; M246-W261 HydrophobicContact CB-CD2 4.48Å; M246-W261 HydrophobicContact CB-CE3 3.84Å; M246-W261 WeakPolarHBondContact O-CZ3 3.3Å; L247-W261 WeakPolarHBondContact O-CA 3.34Å; R248-W261 HydrophobicContact CB-CD2 4.38Å; R248-W261 HydrophobicContact CB-CE3 3.91Å; R248-W261 HydrophobicContact CB-CH2 4.27Å; R248-W261 HydrophobicContact CB-CZ3 3.84Å; R248-W261 VanDerWaalsContact CD-CD2 3.46Å; W261-Y305 HydrophobicContact CB-CE2 3.86Å; W261-Y305 AromaticContact CD1-CD2 3.39Å; W261-Y305 AromaticContact CD1-CE2 3.53Å; W261-Y305 HydrophobicContact CG-CD2 4.17Å; W261-Y305 AromaticContact CG-CE2 4Å; W261-Y305 HydrophobicContact CG-CE2 4Å; W261-Y305 AromaticContact NE1-CD2 3.98Å; W261-V311 HydrophobicContact CZ2-CG2 4.49Å; W261-T313 HydrophobicContact CH2-CG2 3.68Å; W261-T313 HydrophobicContact CZ2-CG2 3.72Å; W261-K344 HydrophobicContact CH2-CD 3.95Å; W261-K344 HydrophobicContact CH2-CG 3.93Å; W261-K344 HydrophobicContact CZ2-CD 4.36Å; W261-K344 HydrophobicContact CZ3-CG 4.5Å
262	G	91	Very high	86.1	Confident	18 Å²	18	76.3 Å²	76.3	19%	0.186	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	134.2	171.4	0	0	0	0	0	110	M246 L247	M246-G262 CarbonylContact C-O 3.59Å; M246-G262 VanDerWaalsContact CA-O 3.24Å; M246-G262 WeakPolarHBondContact CA-O 3.34Å; L247-G262 PolarHBondContact N-O 3.45Å; L247-G262 PolarHBondContact O-N 2.83Å
263	P	93.3	Very high	86.8	Confident	104 Å²	104	71.5 Å²	71.5	68%	0.675	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.6	143.8	172	30.6	-34.6	0	0	0	110.4
264	I	94.8	Very high	87.8	Confident	11 Å²	11	64.1 Å²	64.1	6%	0.056	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	160.9	176.9	65.4	160.6	0	0	0	109.9	V245 L247 L266 M276 F277 Y286 F345	V245-I264 HydrophobicContact CG2-CD1 3.99Å; V245-I264 HydrophobicContact CG2-CG1 3.75Å; V245-I264 PolarHBondContact N-O 3.45Å; V245-I264 VanDerWaalsContact N-O 3.12Å; V245-I264 WeakPolarHBondContact O-CG1 3.45Å; V245-I264 PolarHBondContact O-N 2.89Å; L247-I264 HydrophobicContact CB-CD1 4.05Å; L247-I264 HydrophobicContact CB-CG1 4.37Å; L247-I264 HydrophobicContact CB-CG2 4.26Å; I264-L266 HydrophobicContact CD1-CB 4.22Å; I264-L266 HydrophobicContact CD1-CD1 4.36Å; I264-M276 HydrophobicContact CD1-CB 4.32Å; I264-M276 HydrophobicContact CD1-CG 4.22Å; I264-F277 CarbonylContact C-O 3.54Å; I264-F277 WeakPolarHBondContact CA-O 3.15Å; I264-F277 WeakPolarHBondContact CB-O 3.22Å; I264-Y286 HydrophobicContact CG2-CE1 4.05Å; I264-Y286 WeakPolarHBondContact CG2-OH 3.44Å; I264-F345 HydrophobicContact CD1-CD1 4.34Å; I264-F345 HydrophobicContact CD1-CE1 4.04Å
265	Y	95.1	Very high	88.8	Confident	12 Å²	12	61 Å²	61	5%	0.047	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	126.3	158.6	-167.8	-116.4	0	0	0	109	D241 G242 R267 F277 K280	D241-Y265 PolarHBondContact OD2-OH 2.73Å; G242-Y265 VanDerWaalsContact C-CE2 3.46Å; G242-Y265 VanDerWaalsContact C-CZ 3.44Å; G242-Y265 WeakPolarHBondContact CA-OH 3.17Å; G242-Y265 PolarHBondContact N-OH 3.48Å; G242-Y265 VanDerWaalsContact O-CE2 3.31Å; G242-Y265 WeakPolarHBondContact O-CE2 3.31Å; G242-Y265 PolarHBondContact O-OH 2.85Å; Y265-R267 HydrophobicContact CD1-CG 4.31Å; Y265-R267 HydrophobicContact CE1-CG 4.07Å; Y265-F277 PolarHBondContact N-O 3.47Å; Y265-F277 PolarHBondContact O-N 3.08Å; Y265-K280 HydrophobicContact CD1-CB 3.96Å; Y265-K280 HydrophobicContact CD1-CG 3.98Å; Y265-K280 HydrophobicContact CD2-CB 4.04Å; Y265-K280 HydrophobicContact CD2-CD 4.44Å; Y265-K280 HydrophobicContact CD2-CG 4.39Å; Y265-K280 HydrophobicContact CE1-CB 4.2Å; Y265-K280 HydrophobicContact CE1-CD 4.04Å; Y265-K280 HydrophobicContact CE1-CG 3.71Å; Y265-K280 HydrophobicContact CE2-CB 4.31Å; Y265-K280 HydrophobicContact CE2-CD 3.85Å; Y265-K280 HydrophobicContact CE2-CG 4.19Å; Y265-K280 HydrophobicContact CG-CB 3.87Å; Y265-K280 HydrophobicContact CG-CG 4.31Å; Y265-K280 WeakPolarHBondContact OH-CE 3.46Å; Y265-K280 PolarHBondContact OH-NZ 3.09Å
266	L	95.1	Very high	89.8	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	121.7	-175.2	-177.8	67.3	0	0	0	109.7	G242 W243 V245 I264 L274 M276 F345 L356 M360	G242-L266 CarbonylContact C-O 3.41Å; G242-L266 WeakPolarHBondContact CA-O 3.16Å; W243-L266 PolarHBondContact N-O 3.23Å; W243-L266 PolarHBondContact O-N 3.19Å; V245-L266 HydrophobicContact CG2-CB 3.83Å; V245-L266 HydrophobicContact CG2-CD2 4.07Å; I264-L266 HydrophobicContact CD1-CB 4.22Å; I264-L266 HydrophobicContact CD1-CD1 4.36Å; L266-L274 HydrophobicContact CD1-CB 4.16Å; L266-L274 HydrophobicContact CD1-CD2 4.17Å; L266-L274 HydrophobicContact CD2-CD2 4.41Å; L266-L274 HydrophobicContact CG-CD2 4.4Å; L266-M276 HydrophobicContact CD1-CG 3.98Å; L266-F345 HydrophobicContact CD1-CE1 4.08Å; L266-F345 HydrophobicContact CD1-CZ 4.09Å; L266-F345 HydrophobicContact CD2-CD1 4.16Å; L266-F345 HydrophobicContact CD2-CE1 3.77Å; L266-F345 HydrophobicContact CD2-CE2 4.15Å; L266-F345 HydrophobicContact CD2-CG 4.5Å; L266-F345 HydrophobicContact CD2-CZ 3.76Å; L266-L356 HydrophobicContact CD2-CD1 3.78Å; L266-L356 HydrophobicContact CD2-CD2 4.04Å; L266-M360 HydrophobicContact CD2-CE 4.13Å
267	R	93.9	Very high	90.8	Very high	46 Å²	46	41.3 Å²	41.3	17%	0.174	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	147.6	167.5	-57.5	-166.3	155.9	116.7	-6.9	110.3	D241 Y265 L274 Q275 F277	D241-R267 VanDerWaalsContact CG-NH2 3.33Å; D241-R267 WeakPolarHBondContact O-CD 3.33Å; D241-R267 WeakPolarHBondContact O-CG 3.4Å; D241-R267 PolarHBondContact O-NE 3.28Å; D241-R267 IonicContact OD1-CZ 2.85Å; D241-R267 VanDerWaalsContact OD1-CZ 3.29Å; D241-R267 IonicContact OD1-NE 3.66Å; D241-R267 PolarHBondContact OD1-NE 2.76Å; D241-R267 IonicContact OD1-NH2 2.68Å; D241-R267 PolarHBondContact OD1-NH2 2.68Å; D241-R267 IonicContact OD2-CZ 2.73Å; D241-R267 IonicContact OD2-NE 2.63Å; D241-R267 IonicContact OD2-NH2 3.19Å; D241-R267 PolarHBondContact OD2-NH2 2.86Å; Y265-R267 HydrophobicContact CD1-CG 4.31Å; Y265-R267 HydrophobicContact CE1-CG 4.07Å; R267-L274 CarbonylContact O-C 3.56Å; R267-L274 WeakPolarHBondContact O-CA 3.33Å; R267-Q275 HydrophobicContact CB-CB 4.32Å; R267-Q275 PolarHBondContact N-O 2.82Å; R267-Q275 PolarHBondContact O-N 3.37Å; R267-F277 HydrophobicContact CB-CE2 4.09Å; R267-F277 HydrophobicContact CG-CD2 4.17Å; R267-F277 HydrophobicContact CG-CE2 3.62Å
268	L	92.8	Very high	91.5	Very high	26 Å²	26	47.1 Å²	47.1	14%	0.136	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	114.9	170.5	173.9	58.5	0	0	0	107.9	W243 L274 L291 S359 M360 E363	W243-L268 HydrophobicContact CH2-CB 4.03Å; W243-L268 HydrophobicContact CZ3-CB 3.69Å; L268-L274 HydrophobicContact CB-CD2 4.16Å; L268-L274 HydrophobicContact CD1-CD2 3.8Å; L268-L274 HydrophobicContact CD1-CG 4.38Å; L268-L274 HydrophobicContact CG-CD2 4.47Å; L268-L291 HydrophobicContact CD1-CD1 4.2Å; L268-S359 WeakPolarHBondContact CD2-O 3.49Å; L268-M360 HydrophobicContact CD2-CG 4.48Å; L268-E363 HydrophobicContact CD1-CB 4.37Å; L268-E363 HydrophobicContact CD1-CG 4.22Å; L268-E363 HydrophobicContact CD2-CB 4.22Å; L268-E363 HydrophobicContact CD2-CG 3.82Å; L268-E363 HydrophobicContact CG-CG 4Å
269	L	91.6	Very high	92	Very high	66 Å²	66	49.1 Å²	49.1	35%	0.346	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	152.5	174.4	-59.7	-178	0	0	0	110.9	G271 G272 V273 Q275	L269-G271 PolarHBondContact O-N 2.93Å; L269-G272 PolarHBondContact O-N 3.13Å; L269-G272 VanDerWaalsContact O-N 3.13Å; L269-V273 HydrophobicContact CB-CB 4.26Å; L269-V273 PolarHBondContact N-O 3.38Å; L269-V273 PolarHBondContact O-N 3.21Å; L269-Q275 HydrophobicContact CD1-CG 4.04Å; L269-Q275 HydrophobicContact CG-CG 4.3Å
270	P	88.9	Confident	92.3	Very high	113 Å²	113	52.2 Å²	52.2	73%	0.734	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	135.5	172	-27.2	35.6	0	0	0	112.3	E363	P270-E363 VanDerWaalsContact CA-OE2 3.31Å; P270-E363 WeakPolarHBondContact CA-OE2 3.29Å
271	G	87	Confident	92.2	Very high	34 Å²	34	48.7 Å²	48.7	35%	0.351	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.7	18.5	-171.2	0	0	0	0	0	113.7	L269 V273 Q290 E363 L367	L269-G271 PolarHBondContact O-N 2.93Å; G271-V273 PolarHBondContact O-N 2.92Å; G271-Q290 PolarHBondContact O-NE2 2.87Å; G271-E363 PolarHBondContact N-OE2 2.89Å; G271-L367 WeakPolarHBondContact O-CD2 3.22Å
272	G	90	Very high	92.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	19.3	166.7	0	0	0	0	0	116.2	L269 L274 L291	L269-G272 PolarHBondContact O-N 3.13Å; L269-G272 VanDerWaalsContact O-N 3.13Å; G272-L274 PolarHBondContact O-N 2.91Å; G272-L291 VanDerWaalsContact O-CB 3.27Å; G272-L291 WeakPolarHBondContact O-CB 3.43Å; G272-L291 WeakPolarHBondContact O-CG 3.39Å; G272-L291 PolarHBondContact O-N 2.92Å
273	V	94.2	Very high	91.8	Very high	33 Å²	33	59 Å²	59	20%	0.2	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	113.5	177.2	-176.4	0	0	0	0	110	L269 G271 Q275 E288	L269-V273 HydrophobicContact CB-CB 4.26Å; L269-V273 PolarHBondContact N-O 3.38Å; L269-V273 PolarHBondContact O-N 3.21Å; G271-V273 PolarHBondContact O-N 2.92Å; V273-Q275 HydrophobicContact CG1-CG 4.24Å; V273-E288 HydrophobicContact CG1-CB 4.4Å
274	L	94.6	Very high	91.7	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	107.5	172.4	-67.6	172.3	0	0	0	109.9	L266 R267 L268 G272 E288 F289 L291 L343 F345 M360	L266-L274 HydrophobicContact CD1-CB 4.16Å; L266-L274 HydrophobicContact CD1-CD2 4.17Å; L266-L274 HydrophobicContact CD2-CD2 4.41Å; L266-L274 HydrophobicContact CG-CD2 4.4Å; R267-L274 CarbonylContact O-C 3.56Å; R267-L274 WeakPolarHBondContact O-CA 3.33Å; L268-L274 HydrophobicContact CB-CD2 4.16Å; L268-L274 HydrophobicContact CD1-CD2 3.8Å; L268-L274 HydrophobicContact CD1-CG 4.38Å; L268-L274 HydrophobicContact CG-CD2 4.47Å; G272-L274 PolarHBondContact O-N 2.91Å; L274-E288 CarbonylContact O-C 3.54Å; L274-E288 WeakPolarHBondContact O-CA 3.46Å; L274-F289 HydrophobicContact CB-CB 4.31Å; L274-F289 HydrophobicContact CD1-CD1 4.33Å; L274-F289 PolarHBondContact N-O 3Å; L274-F289 PolarHBondContact O-N 3.18Å; L274-L291 HydrophobicContact CD1-CD1 4.16Å; L274-L291 HydrophobicContact CD1-CD2 3.81Å; L274-L291 HydrophobicContact CD1-CG 3.88Å; L274-L291 HydrophobicContact CD2-CD1 4.48Å; L274-L291 HydrophobicContact CG-CD1 4.13Å; L274-L291 HydrophobicContact CG-CG 4.1Å; L274-L343 HydrophobicContact CD1-CD1 4.12Å; L274-F345 HydrophobicContact CD1-CE2 4.41Å; L274-F345 HydrophobicContact CD1-CZ 4.32Å; L274-M360 HydrophobicContact CD1-CE 3.86Å; L274-M360 HydrophobicContact CD2-CE 3.66Å; L274-M360 HydrophobicContact CG-CE 4.45Å
275	Q	94.7	Very high	91.6	Very high	30 Å²	30	63.4 Å²	63.4	14%	0.14	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	128.4	174.7	-67	-170.6	-42	0	0	110.6	R267 L269 V273 F277 P285 E288	R267-Q275 HydrophobicContact CB-CB 4.32Å; R267-Q275 PolarHBondContact N-O 2.82Å; R267-Q275 PolarHBondContact O-N 3.37Å; L269-Q275 HydrophobicContact CD1-CG 4.04Å; L269-Q275 HydrophobicContact CG-CG 4.3Å; V273-Q275 HydrophobicContact CG1-CG 4.24Å; Q275-F277 HydrophobicContact CB-CD2 4.43Å; Q275-F277 HydrophobicContact CB-CE2 3.52Å; Q275-F277 HydrophobicContact CB-CZ 3.97Å; Q275-P285 HydrophobicContact CB-CB 4.06Å; Q275-P285 HydrophobicContact CB-CG 4.32Å; Q275-P285 HydrophobicContact CG-CG 4.28Å; Q275-E288 HydrophobicContact CG-CG 4.2Å; Q275-E288 PolarHBondContact NE2-OE1 3.05Å
276	M	95	Very high	91.5	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	123.3	-177.4	-51.4	177.9	-173.3	0	0	110	L247 I264 L266 P285 Y286 K287 F289 L343 F345	L247-M276 HydrophobicContact CD2-SD 3.82Å; I264-M276 HydrophobicContact CD1-CB 4.32Å; I264-M276 HydrophobicContact CD1-CG 4.22Å; L266-M276 HydrophobicContact CD1-CG 3.98Å; M276-P285 CarbonylContact O-C 3.47Å; M276-P285 VanDerWaalsContact O-CA 3.26Å; M276-P285 WeakPolarHBondContact O-CA 3.44Å; M276-P285 VanDerWaalsContact O-CB 3.28Å; M276-P285 WeakPolarHBondContact O-CB 3.2Å; M276-Y286 HydrophobicContact CB-CD1 4.38Å; M276-Y286 HydrophobicContact CB-CE1 3.66Å; M276-Y286 HydrophobicContact CB-CE2 4.34Å; M276-Y286 WeakPolarHBondContact O-CD1 3.09Å; M276-Y286 WeakPolarHBondContact O-CE1 3.47Å; M276-Y286 PolarHBondContact O-N 3.03Å; M276-K287 HydrophobicContact CB-CB 4.35Å; M276-K287 WeakPolarHBondContact CB-O 3.18Å; M276-K287 PolarHBondContact N-O 3.29Å; M276-K287 PolarHBondContact O-N 2.93Å; M276-K287 HydrophobicContact SD-CB 4.29Å; M276-K287 HydrophobicContact SD-CD 4.07Å; M276-K287 HydrophobicContact SD-CG 4.11Å; M276-F289 HydrophobicContact CE-CB 4.03Å; M276-L343 HydrophobicContact CE-CD1 3.73Å; M276-L343 HydrophobicContact CE-CD2 4.2Å; M276-F345 HydrophobicContact CE-CE1 4.33Å; M276-F345 HydrophobicContact CE-CZ 4.19Å
277	F	94.6	Very high	91.4	Very high	1 Å²	1	69.2 Å²	69.2	0%	0.004	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	151.8	178.3	-54.2	-99.7	0	0	0	108.9	I264 Y265 R267 Q275 L282 P285	I264-F277 CarbonylContact C-O 3.54Å; I264-F277 WeakPolarHBondContact CA-O 3.15Å; I264-F277 WeakPolarHBondContact CB-O 3.22Å; Y265-F277 PolarHBondContact N-O 3.47Å; Y265-F277 PolarHBondContact O-N 3.08Å; R267-F277 HydrophobicContact CB-CE2 4.09Å; R267-F277 HydrophobicContact CG-CD2 4.17Å; R267-F277 HydrophobicContact CG-CE2 3.62Å; Q275-F277 HydrophobicContact CB-CD2 4.43Å; Q275-F277 HydrophobicContact CB-CE2 3.52Å; Q275-F277 HydrophobicContact CB-CZ 3.97Å; F277-L282 HydrophobicContact CB-CB 4.47Å; F277-L282 HydrophobicContact CB-CD1 4.49Å; F277-L282 HydrophobicContact CD1-CB 3.9Å; F277-L282 WeakPolarHBondContact CD1-O 3.33Å; F277-L282 VanDerWaalsContact CE1-O 3.24Å; F277-L282 WeakPolarHBondContact CE1-O 3.31Å; F277-P285 HydrophobicContact CD1-CB 4.17Å; F277-P285 HydrophobicContact CE1-CB 3.91Å; F277-P285 HydrophobicContact CE1-CG 4.35Å; F277-P285 VanDerWaalsContact CE1-N 3.29Å; F277-P285 HydrophobicContact CE2-CB 4.24Å; F277-P285 HydrophobicContact CG-CB 4.47Å; F277-P285 HydrophobicContact CZ-CB 3.94Å; F277-P285 HydrophobicContact CZ-CG 4.31Å
278	Y	92	Very high	91.5	Very high	157 Å²	157	72.2 Å²	72.2	62%	0.616	37%	0.369	S	S	*	.	S	Bend	trans	-68.1	-42.4	174.9	-67.2	-67.5	0	0	0	111.3	Y286	Y278-Y286 AromaticContact CD1-CD1 3.94Å; Y278-Y286 HydrophobicContact CD1-CD1 3.94Å; Y278-Y286 HydrophobicContact CD1-CE1 4.2Å; Y278-Y286 HydrophobicContact CD2-CD1 4Å; Y278-Y286 HydrophobicContact CD2-CG 4.32Å; Y278-Y286 AromaticContact CE1-CD1 3.89Å; Y278-Y286 HydrophobicContact CE1-CD1 3.89Å; Y278-Y286 HydrophobicContact CE1-CD2 4.47Å; Y278-Y286 HydrophobicContact CE1-CE1 4.24Å; Y278-Y286 HydrophobicContact CE1-CG 4.05Å; Y278-Y286 VanDerWaalsContact CE2-CB 3.47Å; Y278-Y286 AromaticContact CE2-CD1 3.97Å; Y278-Y286 HydrophobicContact CE2-CD1 3.97Å; Y278-Y286 AromaticContact CE2-CG 3.83Å; Y278-Y286 HydrophobicContact CE2-CG 3.83Å; Y278-Y286 AromaticContact CG-CD1 3.99Å; Y278-Y286 HydrophobicContact CG-CD1 3.99Å; Y278-Y286 AromaticContact CZ-CD1 3.91Å; Y278-Y286 AromaticContact CZ-CG 3.67Å
279	E	90.7	Very high	91.6	Very high	146 Å²	146	73 Å²	73	68%	0.682	37%	0.371	S	S	*	.	S	Bend	trans	-138.4	159.1	-178.4	-63.3	-176.4	172.3	0	0	110.3
280	K	90.3	Very high	91.7	Very high	140 Å²	140	74.3 Å²	74.3	61%	0.609	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	134.9	176.8	-177.5	171.3	-174.3	170.9	0	110.3	D241 Y265	D241-K280 IonicContact OD2-NZ 2.77Å; Y265-K280 HydrophobicContact CD1-CB 3.96Å; Y265-K280 HydrophobicContact CD1-CG 3.98Å; Y265-K280 HydrophobicContact CD2-CB 4.04Å; Y265-K280 HydrophobicContact CD2-CD 4.44Å; Y265-K280 HydrophobicContact CD2-CG 4.39Å; Y265-K280 HydrophobicContact CE1-CB 4.2Å; Y265-K280 HydrophobicContact CE1-CD 4.04Å; Y265-K280 HydrophobicContact CE1-CG 3.71Å; Y265-K280 HydrophobicContact CE2-CB 4.31Å; Y265-K280 HydrophobicContact CE2-CD 3.85Å; Y265-K280 HydrophobicContact CE2-CG 4.19Å; Y265-K280 HydrophobicContact CG-CB 3.87Å; Y265-K280 HydrophobicContact CG-CG 4.31Å; Y265-K280 WeakPolarHBondContact OH-CE 3.46Å; Y265-K280 PolarHBondContact OH-NZ 3.09Å
281	G	86.3	Confident	91.9	Very high	63 Å²	63	69 Å²	69	65%	0.649	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.9	-6.2	178	0	0	0	0	0	115
282	L	89.4	Confident	92.1	Very high	73 Å²	73	70.7 Å²	70.7	38%	0.382	34%	0.341	S	S	.	.			trans	-66.8	136.3	168.1	-65.1	175	0	0	0	110.7	F277	F277-L282 HydrophobicContact CB-CB 4.47Å; F277-L282 HydrophobicContact CB-CD1 4.49Å; F277-L282 HydrophobicContact CD1-CB 3.9Å; F277-L282 WeakPolarHBondContact CD1-O 3.33Å; F277-L282 VanDerWaalsContact CE1-O 3.24Å; F277-L282 WeakPolarHBondContact CE1-O 3.31Å
283	E	84.6	Confident	92	Very high	185 Å²	185	71.3 Å²	71.3	86%	0.864	35%	0.346	S	S	*	.	S	Bend	trans	-75.8	-33	178.2	-63.4	-175.8	157.6	0	0	113.2
284	K	89.7	Confident	91.8	Very high	173 Å²	173	71.2 Å²	71.2	75%	0.752	34%	0.343	S	S	*	.	S	Bend	trans	-111.1	124.4	-174.5	-66.4	-178.9	-179.1	176.6	0	110.4
285	P	93.5	Very high	91.6	Very high	34 Å²	34	71.2 Å²	71.2	22%	0.221	34%	0.343	C	S	.	.			trans	-68.4	148.2	171.7	28.3	-32.5	0	0	0	110.3	Q275 M276 F277 K287 E288	Q275-P285 HydrophobicContact CB-CB 4.06Å; Q275-P285 HydrophobicContact CB-CG 4.32Å; Q275-P285 HydrophobicContact CG-CG 4.28Å; M276-P285 CarbonylContact O-C 3.47Å; M276-P285 VanDerWaalsContact O-CA 3.26Å; M276-P285 WeakPolarHBondContact O-CA 3.44Å; M276-P285 VanDerWaalsContact O-CB 3.28Å; M276-P285 WeakPolarHBondContact O-CB 3.2Å; F277-P285 HydrophobicContact CD1-CB 4.17Å; F277-P285 HydrophobicContact CE1-CB 3.91Å; F277-P285 HydrophobicContact CE1-CG 4.35Å; F277-P285 VanDerWaalsContact CE1-N 3.29Å; F277-P285 HydrophobicContact CE2-CB 4.24Å; F277-P285 HydrophobicContact CG-CB 4.47Å; F277-P285 HydrophobicContact CZ-CB 3.94Å; F277-P285 HydrophobicContact CZ-CG 4.31Å; P285-K287 VanDerWaalsContact C-N 3.34Å; P285-E288 HydrophobicContact CB-CG 4.21Å; P285-E288 HydrophobicContact CG-CG 3.65Å; P285-E288 WeakPolarHBondContact CG-OE1 3.47Å
286	Y	93.4	Very high	91.4	Very high	73 Å²	73	72 Å²	72	29%	0.286	35%	0.345	S	S	.	.	S	Bend	trans	-81.1	-21.3	172	76.8	-99.3	0	0	0	111.5	I264 M276 Y278	I264-Y286 HydrophobicContact CG2-CE1 4.05Å; I264-Y286 WeakPolarHBondContact CG2-OH 3.44Å; M276-Y286 HydrophobicContact CB-CD1 4.38Å; M276-Y286 HydrophobicContact CB-CE1 3.66Å; M276-Y286 HydrophobicContact CB-CE2 4.34Å; M276-Y286 WeakPolarHBondContact O-CD1 3.09Å; M276-Y286 WeakPolarHBondContact O-CE1 3.47Å; M276-Y286 PolarHBondContact O-N 3.03Å; Y278-Y286 AromaticContact CD1-CD1 3.94Å; Y278-Y286 HydrophobicContact CD1-CD1 3.94Å; Y278-Y286 HydrophobicContact CD1-CE1 4.2Å; Y278-Y286 HydrophobicContact CD2-CD1 4Å; Y278-Y286 HydrophobicContact CD2-CG 4.32Å; Y278-Y286 AromaticContact CE1-CD1 3.89Å; Y278-Y286 HydrophobicContact CE1-CD1 3.89Å; Y278-Y286 HydrophobicContact CE1-CD2 4.47Å; Y278-Y286 HydrophobicContact CE1-CE1 4.24Å; Y278-Y286 HydrophobicContact CE1-CG 4.05Å; Y278-Y286 VanDerWaalsContact CE2-CB 3.47Å; Y278-Y286 AromaticContact CE2-CD1 3.97Å; Y278-Y286 HydrophobicContact CE2-CD1 3.97Å; Y278-Y286 AromaticContact CE2-CG 3.83Å; Y278-Y286 HydrophobicContact CE2-CG 3.83Å; Y278-Y286 AromaticContact CG-CD1 3.99Å; Y278-Y286 HydrophobicContact CG-CD1 3.99Å; Y278-Y286 AromaticContact CZ-CD1 3.91Å; Y278-Y286 AromaticContact CZ-CG 3.67Å
287	K	93.1	Very high	91.3	Very high	61 Å²	61	73 Å²	73	27%	0.265	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	142.8	175.5	174.9	167.2	176.7	165.6	0	110.4	E251 M276 P285	E251-K287 IonicContact OE1-NZ 3.87Å; E251-K287 PolarHBondContact OE1-NZ 3.12Å; E251-K287 IonicContact OE2-NZ 2.76Å; E251-K287 PolarHBondContact OE2-NZ 2.86Å; M276-K287 HydrophobicContact CB-CB 4.35Å; M276-K287 WeakPolarHBondContact CB-O 3.18Å; M276-K287 PolarHBondContact N-O 3.29Å; M276-K287 PolarHBondContact O-N 2.93Å; M276-K287 HydrophobicContact SD-CB 4.29Å; M276-K287 HydrophobicContact SD-CD 4.07Å; M276-K287 HydrophobicContact SD-CG 4.11Å; P285-K287 VanDerWaalsContact C-N 3.34Å
288	E	95	Very high	91.1	Very high	109 Å²	109	74.1 Å²	74.1	51%	0.509	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	152	167.5	-55.5	-171.5	132.6	0	0	109.4	V273 L274 Q275 P285	V273-E288 HydrophobicContact CG1-CB 4.4Å; L274-E288 CarbonylContact O-C 3.54Å; L274-E288 WeakPolarHBondContact O-CA 3.46Å; Q275-E288 HydrophobicContact CG-CG 4.2Å; Q275-E288 PolarHBondContact NE2-OE1 3.05Å; P285-E288 HydrophobicContact CB-CG 4.21Å; P285-E288 HydrophobicContact CG-CG 3.65Å; P285-E288 WeakPolarHBondContact CG-OE1 3.47Å
289	F	94.3	Very high	90.8	Very high	42 Å²	42	71.1 Å²	71.1	18%	0.184	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	120.9	176.5	-174.7	-85.8	0	0	0	110.4	L274 M276 L291 L342 L343	L274-F289 HydrophobicContact CB-CB 4.31Å; L274-F289 HydrophobicContact CD1-CD1 4.33Å; L274-F289 PolarHBondContact N-O 3Å; L274-F289 PolarHBondContact O-N 3.18Å; M276-F289 HydrophobicContact CE-CB 4.03Å; F289-L291 HydrophobicContact CE1-CD2 4.46Å; F289-L342 HydrophobicContact CE1-CD1 4.29Å; F289-L342 HydrophobicContact CZ-CB 4.13Å; F289-L342 HydrophobicContact CZ-CD1 3.81Å; F289-L342 HydrophobicContact CZ-CD2 4.38Å; F289-L342 HydrophobicContact CZ-CG 4.34Å; F289-L343 HydrophobicContact CB-CD1 4.35Å; F289-L343 HydrophobicContact CD1-CD1 3.83Å; F289-L343 HydrophobicContact CD2-CD1 4.33Å; F289-L343 HydrophobicContact CD2-CD2 4.49Å; F289-L343 HydrophobicContact CE1-CD1 4.26Å; F289-L343 HydrophobicContact CG-CD1 3.88Å
290	Q	94.6	Very high	90.7	Very high	94 Å²	94	66.1 Å²	66.1	44%	0.439	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	117.6	175.1	179.9	61.9	64.3	0	0	110	G271	G271-Q290 PolarHBondContact O-NE2 2.87Å
291	L	93.1	Very high	90.6	Very high	2 Å²	2	66.3 Å²	66.3	1%	0.01	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-64.8	138.3	164.6	-69.7	170.6	0	0	0	109.6	L268 G272 L274 F289 C295 V316 M360 I364 L367	L268-L291 HydrophobicContact CD1-CD1 4.2Å; G272-L291 VanDerWaalsContact O-CB 3.27Å; G272-L291 WeakPolarHBondContact O-CB 3.43Å; G272-L291 WeakPolarHBondContact O-CG 3.39Å; G272-L291 PolarHBondContact O-N 2.92Å; L274-L291 HydrophobicContact CD1-CD1 4.16Å; L274-L291 HydrophobicContact CD1-CD2 3.81Å; L274-L291 HydrophobicContact CD1-CG 3.88Å; L274-L291 HydrophobicContact CD2-CD1 4.48Å; L274-L291 HydrophobicContact CG-CD1 4.13Å; L274-L291 HydrophobicContact CG-CG 4.1Å; F289-L291 HydrophobicContact CE1-CD2 4.46Å; L291-C295 HydrophobicContact CD2-CB 4.16Å; L291-V316 HydrophobicContact CD2-CG1 3.69Å; L291-V316 HydrophobicContact CD2-CG2 4.5Å; L291-M360 HydrophobicContact CD1-CG 4.4Å; L291-I364 HydrophobicContact CB-CG1 4.49Å; L291-I364 HydrophobicContact CD1-CD1 4.4Å; L291-I364 HydrophobicContact CD1-CG1 4.23Å; L291-L367 HydrophobicContact CB-CD1 4.22Å; L291-L367 WeakPolarHBondContact O-CD1 3.24Å
292	L	91.1	Very high	90.6	Very high	68 Å²	68	64.9 Å²	64.9	36%	0.356	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-98.4	153.4	170.2	-56.6	176.9	0	0	0	108.8	Q294 C295 L318	L292-Q294 PolarHBondContact O-N 3.2Å; L292-Q294 VanDerWaalsContact O-N 3.07Å; L292-C295 PolarHBondContact N-SG 3.38Å; L292-C295 VanDerWaalsContact N-SG 3.37Å; L292-C295 WeakPolarHBondContact O-CB 3.43Å; L292-C295 PolarHBondContact O-N 2.87Å; L292-L318 HydrophobicContact CB-CD1 4.43Å; L292-L318 HydrophobicContact CD1-CD1 3.96Å
293	P	88.4	Confident	90.4	Very high	14 Å²	14	64.7 Å²	64.7	9%	0.091	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-20.1	172.5	-3.7	4.7	0	0	0	113.7	C295 L367 V369	P293-C295 VanDerWaalsContact C-N 3.32Å; P293-L367 HydrophobicContact CB-CB 4.13Å; P293-L367 HydrophobicContact CG-CB 3.89Å; P293-L367 HydrophobicContact CG-CD1 4.49Å; P293-V369 HydrophobicContact CB-CG2 3.71Å; P293-V369 HydrophobicContact CG-CB 4.15Å; P293-V369 HydrophobicContact CG-CG1 4.21Å; P293-V369 HydrophobicContact CG-CG2 3.83Å
294	Q	89.4	Confident	90.1	Very high	31 Å²	31	60.1 Å²	60.1	15%	0.145	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-10.3	174.5	-67.7	153.2	-5.4	0	0	113.1	L292 L318 F319 Q372 C477	L292-Q294 PolarHBondContact O-N 3.2Å; L292-Q294 VanDerWaalsContact O-N 3.07Å; Q294-L318 HydrophobicContact CB-CD1 3.49Å; Q294-L318 VanDerWaalsContact CB-CD1 3.49Å; Q294-F319 PolarHBondContact O-N 3.06Å; Q294-Q372 VanDerWaalsContact NE2-NE2 3.12Å; Q294-C477 HydrophobicContact CG-CB 4.4Å; Q294-C477 WeakPolarHBondContact CG-SG 3.29Å
295	C	91.3	Very high	89.1	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	143.3	172.8	-63.8	0	0	0	0	109.8	L291 L292 P293 V316 E317 L342 I364	L291-C295 HydrophobicContact CD2-CB 4.16Å; L292-C295 PolarHBondContact N-SG 3.38Å; L292-C295 VanDerWaalsContact N-SG 3.37Å; L292-C295 WeakPolarHBondContact O-CB 3.43Å; L292-C295 PolarHBondContact O-N 2.87Å; P293-C295 VanDerWaalsContact C-N 3.32Å; C295-V316 HydrophobicContact CB-CG1 3.87Å; C295-E317 CarbonylContact C-O 3.48Å; C295-E317 WeakPolarHBondContact CA-O 3.35Å; C295-L342 WeakPolarHBondContact SG-CD1 3.47Å; C295-I364 HydrophobicContact CB-CD1 4.48Å
296	R	90.3	Very high	87.7	Confident	47 Å²	47	58.1 Å²	58.1	18%	0.177	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	137.9	174.1	-54.6	178.7	65.9	-144.9	-8.6	108.8	T52 E317 F319	T52-R296 PolarHBondContact O-NH1 2.84Å; T52-R296 PolarHBondContact OG1-NH1 2.85Å; T52-R296 PolarHBondContact OG1-NH2 2.8Å; T52-R296 VanDerWaalsContact OG1-NH2 3.09Å; R296-E317 PolarHBondContact N-O 2.88Å; R296-E317 PolarHBondContact O-N 3.26Å; R296-F319 HydrophobicContact CB-CD2 4.01Å; R296-F319 HydrophobicContact CB-CE2 3.79Å; R296-F319 HydrophobicContact CG-CD2 3.88Å; R296-F319 HydrophobicContact CG-CE2 4.12Å
297	P	91.7	Very high	85.9	Confident	21 Å²	21	63.5 Å²	63.5	14%	0.136	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	142.3	171.2	27.5	-29.5	0	0	0	110.2	V314 K315 V357 E361	P297-V314 HydrophobicContact CB-CG2 4.01Å; P297-K315 CarbonylContact C-O 3.59Å; P297-K315 WeakPolarHBondContact CA-O 3.4Å; P297-V357 HydrophobicContact CB-CG1 4.29Å; P297-V357 HydrophobicContact CB-CG2 4.49Å; P297-V357 HydrophobicContact CG-CG1 4.18Å; P297-E361 HydrophobicContact CG-CG 3.51Å
298	S	91.2	Very high	84.2	Confident	24 Å²	24	65.3 Å²	65.3	17%	0.168	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-78.8	158.1	172	76.4	0	0	0	0	111.5	K315	S298-K315 PolarHBondContact N-O 2.75Å; S298-K315 PolarHBondContact OG-N 3.27Å
299	E	85.6	Confident	82.9	Confident	94 Å²	94	68.7 Å²	68.7	44%	0.439	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-51.7	146.1	167	-65.1	-174.1	173.7	0	0	112.5	K50 K301	K50-E299 WeakPolarHBondContact CD-OE1 3.4Å; K50-E299 WeakPolarHBondContact CE-OE1 3.5Å; K50-E299 VanDerWaalsContact CE-OE2 3.29Å; K50-E299 WeakPolarHBondContact CE-OE2 3.21Å; K50-E299 IonicContact NZ-OE1 2.76Å; K50-E299 PolarHBondContact NZ-OE1 2.79Å; K50-E299 IonicContact NZ-OE2 3.67Å; K50-E299 PolarHBondContact NZ-OE2 3.3Å; E299-K301 PolarHBondContact O-N 3.32Å
300	L	88.6	Confident	82.4	Confident	40 Å²	40	69.8 Å²	69.8	21%	0.209	35%	0.345	C	S	.	.			trans	-65.7	113.2	177.5	-69.8	-177.6	0	0	0	111.1	L312 V314 M353 E354 V357	L300-L312 HydrophobicContact CB-CD2 4.32Å; L300-V314 HydrophobicContact CD2-CB 4.11Å; L300-M353 HydrophobicContact CD1-CB 4.26Å; L300-M353 HydrophobicContact CD2-CB 3.94Å; L300-M353 HydrophobicContact CD2-CE 3.76Å; L300-E354 HydrophobicContact CD1-CG 3.55Å; L300-V357 HydrophobicContact CD2-CG2 3.86Å; L300-V357 HydrophobicContact CG-CG2 4.36Å
301	K	88.2	Confident	82	Confident	144 Å²	144	65.3 Å²	65.3	63%	0.626	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	122.2	-176.1	-173.6	170.4	-175.5	169.6	0	111.9	E299 E303 T313	E299-K301 PolarHBondContact O-N 3.32Å; K301-E303 PolarHBondContact O-N 3.09Å; K301-T313 PolarHBondContact N-O 3.48Å; K301-T313 PolarHBondContact O-N 2.78Å; K301-T313 PolarHBondContact O-OG1 2.92Å
302	V	86.3	Confident	81.9	Confident	33 Å²	33	65.2 Å²	65.2	20%	0.2	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	127.2	172.2	-173.7	0	0	0	0	110.2	K310 V311 L312 V597 Y598	V302-K310 HydrophobicContact CG1-CB 3.75Å; V302-K310 HydrophobicContact CG1-CD 3.68Å; V302-K310 HydrophobicContact CG1-CG 4.22Å; V302-V311 CarbonylContact C-O 3.6Å; V302-V311 WeakPolarHBondContact CA-O 3.28Å; V302-L312 HydrophobicContact CG2-CD2 3.7Å; V302-V597 HydrophobicContact CG1-CG2 4.28Å; V302-Y598 HydrophobicContact CG2-CD2 4.5Å; V302-Y598 HydrophobicContact CG2-CE2 3.63Å
303	E	84.9	Confident	82	Confident	69 Å²	69	62.1 Å²	62.1	32%	0.322	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	147.6	175.6	-171.2	168.1	-97.7	0	0	110.1	K301 K310 V311 T313 K344	K301-E303 PolarHBondContact O-N 3.09Å; E303-K310 WeakPolarHBondContact O-CA 3.42Å; E303-V311 HydrophobicContact CB-CG2 4.48Å; E303-V311 PolarHBondContact N-O 2.97Å; E303-V311 PolarHBondContact O-N 2.87Å; E303-T313 HydrophobicContact CB-CG2 3.89Å; E303-K344 IonicContact OE1-NZ 3.72Å; E303-K344 PolarHBondContact OE1-NZ 2.76Å; E303-K344 IonicContact OE2-NZ 2.59Å; E303-K344 PolarHBondContact OE2-NZ 3.33Å
304	S	79.1	Confident	82.3	Confident	89 Å²	89	61.5 Å²	61.5	62%	0.622	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	125.6	172.3	-61.6	0	0	0	0	109.9
305	Y	67.9	Low	82.5	Confident	106 Å²	106	63 Å²	63	42%	0.416	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	-56.9	176.9	171.6	-133.9	0	0	0	111.3	M246 W261 R309 V311	M246-Y305 HydrophobicContact SD-CE1 4.36Å; W261-Y305 HydrophobicContact CB-CE2 3.86Å; W261-Y305 AromaticContact CD1-CD2 3.39Å; W261-Y305 AromaticContact CD1-CE2 3.53Å; W261-Y305 HydrophobicContact CG-CD2 4.17Å; W261-Y305 AromaticContact CG-CE2 4Å; W261-Y305 HydrophobicContact CG-CE2 4Å; W261-Y305 AromaticContact NE1-CD2 3.98Å; Y305-R309 PolarHBondContact N-O 3.48Å; Y305-V311 HydrophobicContact CD1-CG1 4.15Å; Y305-V311 HydrophobicContact CG-CG1 4.12Å
306	S	63.5	Low	82.7	Confident	59 Å²	59	63.1 Å²	63.1	41%	0.413	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	127.1	174.2	48.8	0	0	0	0	107.6	P308 R309	S306-P308 CarbonylContact O-C 3.42Å; S306-R309 PolarHBondContact N-O 2.63Å; S306-R309 CarbonylContact O-C 3.49Å; S306-R309 WeakPolarHBondContact O-CA 3.46Å; S306-R309 PolarHBondContact O-N 3.42Å
307	E	56.1	Low	82.8	Confident	187 Å²	187	62.3 Å²	62.3	87%	0.874	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	131.5	-177.7	-62	-168.9	149.4	0	0	110.2
308	P	57.9	Low	82.8	Confident	98 Å²	98	62.6 Å²	62.6	64%	0.636	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	cis	-92.4	-0.2	9.4	37.2	-37.1	0	0	0	115.9	S306	S306-P308 CarbonylContact O-C 3.42Å
309	R	67.8	Low	82.8	Confident	180 Å²	180	62.4 Å²	62.4	68%	0.679	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.2	117.9	-174.2	-61.9	-175.4	-179.2	-171.1	-0.3	112.8	Y305 S306	Y305-R309 PolarHBondContact N-O 3.48Å; S306-R309 PolarHBondContact N-O 2.63Å; S306-R309 CarbonylContact O-C 3.49Å; S306-R309 WeakPolarHBondContact O-CA 3.46Å; S306-R309 PolarHBondContact O-N 3.42Å
310	K	83.5	Confident	82.9	Confident	65 Å²	65	60.5 Å²	60.5	28%	0.283	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	159.7	163.8	-57.4	174.8	-168.9	164	0	109.7	V302 E303 Y594 E595 V597	V302-K310 HydrophobicContact CG1-CB 3.75Å; V302-K310 HydrophobicContact CG1-CD 3.68Å; V302-K310 HydrophobicContact CG1-CG 4.22Å; E303-K310 WeakPolarHBondContact O-CA 3.42Å; K310-Y594 PolarHBondContact NZ-O 3.34Å; K310-E595 WeakPolarHBondContact CD-OE2 3.26Å; K310-E595 IonicContact NZ-OE2 3.75Å; K310-E595 PolarHBondContact NZ-OE2 3.19Å; K310-V597 HydrophobicContact CB-CG2 3.82Å
311	V	87.3	Confident	82.9	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	147	172.7	-66.4	0	0	0	0	109.7	M246 W261 V302 E303 Y305 T313 S347 T348	M246-V311 HydrophobicContact CE-CB 4.5Å; M246-V311 HydrophobicContact CE-CG1 3.68Å; W261-V311 HydrophobicContact CZ2-CG2 4.49Å; V302-V311 CarbonylContact C-O 3.6Å; V302-V311 WeakPolarHBondContact CA-O 3.28Å; E303-V311 HydrophobicContact CB-CG2 4.48Å; E303-V311 PolarHBondContact N-O 2.97Å; E303-V311 PolarHBondContact O-N 2.87Å; Y305-V311 HydrophobicContact CD1-CG1 4.15Å; Y305-V311 HydrophobicContact CG-CG1 4.12Å; V311-T313 HydrophobicContact CG2-CG2 3.78Å; V311-S347 WeakPolarHBondContact CA-O 3.34Å; V311-T348 HydrophobicContact CG1-CG2 4.11Å
312	L	90.8	Very high	82.7	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	141	162.6	-78.7	161.5	0	0	0	107.9	L300 V302 G346 S347 H350 M353 V597 Y598	L300-L312 HydrophobicContact CB-CD2 4.32Å; V302-L312 HydrophobicContact CG2-CD2 3.7Å; L312-G346 CarbonylContact O-C 3.35Å; L312-G346 WeakPolarHBondContact O-CA 3.2Å; L312-S347 PolarHBondContact N-O 3.27Å; L312-S347 PolarHBondContact O-N 2.98Å; L312-H350 HydrophobicContact CD1-CB 4.09Å; L312-M353 HydrophobicContact CB-CE 4.29Å; L312-M353 HydrophobicContact CB-CG 4.26Å; L312-V597 HydrophobicContact CB-CG1 4.18Å; L312-V597 HydrophobicContact CD1-CB 3.97Å; L312-V597 HydrophobicContact CD1-CG1 3.64Å; L312-V597 HydrophobicContact CG-CB 3.88Å; L312-V597 HydrophobicContact CG-CG1 3.66Å; L312-V597 HydrophobicContact CG-CG2 4.47Å; L312-Y598 HydrophobicContact CD1-CE1 4.36Å; L312-Y598 HydrophobicContact CD2-CE1 4.26Å; L312-Y598 HydrophobicContact CD2-CE2 4.07Å; L312-Y598 WeakPolarHBondContact CD2-OH 3.35Å
313	T	92.4	Very high	82.7	Confident	4 Å²	4	54 Å²	54	3%	0.025	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	138.8	180	67	0	0	0	0	111.4	W261 K301 E303 V311 K344 F345	W261-T313 HydrophobicContact CH2-CG2 3.68Å; W261-T313 HydrophobicContact CZ2-CG2 3.72Å; K301-T313 PolarHBondContact N-O 3.48Å; K301-T313 PolarHBondContact O-N 2.78Å; K301-T313 PolarHBondContact O-OG1 2.92Å; E303-T313 HydrophobicContact CB-CG2 3.89Å; V311-T313 HydrophobicContact CG2-CG2 3.78Å; T313-K344 WeakPolarHBondContact OG1-CE 3.34Å; T313-F345 VanDerWaalsContact CA-O 3.31Å; T313-F345 WeakPolarHBondContact CA-O 3.35Å
314	V	94.4	Very high	82.6	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	142.9	170.3	62.1	0	0	0	0	107.5	P297 L300 K344 F345 M353 V357	P297-V314 HydrophobicContact CB-CG2 4.01Å; L300-V314 HydrophobicContact CD2-CB 4.11Å; V314-K344 CarbonylContact O-C 3.52Å; V314-K344 WeakPolarHBondContact O-CA 3.49Å; V314-F345 HydrophobicContact CG1-CB 3.81Å; V314-F345 HydrophobicContact CG1-CD2 4.19Å; V314-F345 PolarHBondContact N-O 2.85Å; V314-F345 PolarHBondContact O-N 2.75Å; V314-F345 VanDerWaalsContact O-O 3.06Å; V314-M353 HydrophobicContact CB-CE 3.93Å; V314-M353 HydrophobicContact CG1-CE 3.63Å; V314-V357 HydrophobicContact CB-CG2 4.24Å; V314-V357 HydrophobicContact CG2-CG2 3.74Å
315	K	94.2	Very high	82.5	Confident	64 Å²	64	53.8 Å²	53.8	28%	0.278	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	150.5	167.7	-56.2	163.4	168	-176.9	0	109.5	P297 S298 E317 Q341 L343 K344	P297-K315 CarbonylContact C-O 3.59Å; P297-K315 WeakPolarHBondContact CA-O 3.4Å; S298-K315 PolarHBondContact N-O 2.75Å; S298-K315 PolarHBondContact OG-N 3.27Å; K315-E317 HydrophobicContact CB-CG 3.64Å; K315-E317 HydrophobicContact CD-CG 3.81Å; K315-E317 WeakPolarHBondContact CD-OE1 3.5Å; K315-E317 WeakPolarHBondContact CD-OE2 3.34Å; K315-E317 WeakPolarHBondContact CE-OE1 3.37Å; K315-E317 HydrophobicContact CG-CG 4.48Å; K315-E317 IonicContact NZ-OE1 2.64Å; K315-E317 PolarHBondContact NZ-OE1 2.76Å; K315-E317 IonicContact NZ-OE2 3.97Å; K315-Q341 HydrophobicContact CB-CG 4.06Å; K315-Q341 HydrophobicContact CD-CG 3.97Å; K315-Q341 HydrophobicContact CG-CG 4.01Å; K315-L343 VanDerWaalsContact CA-O 3.32Å; K315-L343 WeakPolarHBondContact CA-O 3.47Å; K315-K344 HydrophobicContact CG-CB 4.49Å; K315-K344 HydrophobicContact CG-CD 4.49Å; K315-K344 HydrophobicContact CG-CG 4.12Å
316	V	94.6	Very high	82.5	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	114.6	157.8	-177	0	0	0	0	106.4	L291 C295 L342 L343 F345 M360	L291-V316 HydrophobicContact CD2-CG1 3.69Å; L291-V316 HydrophobicContact CD2-CG2 4.5Å; C295-V316 HydrophobicContact CB-CG1 3.87Å; V316-L342 HydrophobicContact CG1-CD1 4.2Å; V316-L342 WeakPolarHBondContact O-CB 3.2Å; V316-L342 PolarHBondContact O-N 3.43Å; V316-L343 HydrophobicContact CB-CB 4.1Å; V316-L343 HydrophobicContact CG2-CB 4.18Å; V316-L343 HydrophobicContact CG2-CD1 4.44Å; V316-L343 PolarHBondContact N-O 2.79Å; V316-L343 PolarHBondContact O-N 3.18Å; V316-F345 HydrophobicContact CG2-CD2 4.4Å; V316-F345 HydrophobicContact CG2-CE2 3.86Å; V316-M360 HydrophobicContact CG2-CE 4.36Å; V316-M360 HydrophobicContact CG2-SD 4.14Å
317	E	93.3	Very high	82.3	Confident	30 Å²	30	58.5 Å²	58.5	14%	0.14	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130	-177	-60.4	-168.2	112.1	0	0	109.9	C295 R296 K315 F319 V339 E340 Q341	C295-E317 CarbonylContact C-O 3.48Å; C295-E317 WeakPolarHBondContact CA-O 3.35Å; R296-E317 PolarHBondContact N-O 2.88Å; R296-E317 PolarHBondContact O-N 3.26Å; K315-E317 HydrophobicContact CB-CG 3.64Å; K315-E317 HydrophobicContact CD-CG 3.81Å; K315-E317 WeakPolarHBondContact CD-OE1 3.5Å; K315-E317 WeakPolarHBondContact CD-OE2 3.34Å; K315-E317 WeakPolarHBondContact CE-OE1 3.37Å; K315-E317 HydrophobicContact CG-CG 4.48Å; K315-E317 IonicContact NZ-OE1 2.64Å; K315-E317 PolarHBondContact NZ-OE1 2.76Å; K315-E317 IonicContact NZ-OE2 3.97Å; E317-F319 HydrophobicContact CB-CE2 3.94Å; E317-F319 WeakPolarHBondContact O-CD2 3.34Å; E317-V339 HydrophobicContact CB-CG1 3.73Å; E317-V339 HydrophobicContact CG-CG1 4.3Å; E317-E340 CarbonylContact C-O 3.52Å; E317-E340 WeakPolarHBondContact CA-O 3.25Å; E317-Q341 HydrophobicContact CG-CG 4.35Å
318	L	91.6	Very high	82.4	Confident	28 Å²	28	55.2 Å²	55.2	15%	0.147	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	124.7	176.6	-177	63.4	0	0	0	109.4	L292 Q294 V339 E340 L342	L292-L318 HydrophobicContact CB-CD1 4.43Å; L292-L318 HydrophobicContact CD1-CD1 3.96Å; Q294-L318 HydrophobicContact CB-CD1 3.49Å; Q294-L318 VanDerWaalsContact CB-CD1 3.49Å; L318-V339 WeakPolarHBondContact O-CA 3.28Å; L318-E340 HydrophobicContact CB-CB 4.39Å; L318-E340 PolarHBondContact N-O 3.4Å; L318-E340 PolarHBondContact O-N 3.5Å; L318-L342 HydrophobicContact CB-CD1 3.72Å; L318-L342 HydrophobicContact CB-CD2 4.28Å; L318-L342 HydrophobicContact CB-CG 3.94Å; L318-L342 HydrophobicContact CD2-CD2 4.4Å
319	F	90.8	Very high	82.6	Confident	20 Å²	20	57.4 Å²	57.4	9%	0.088	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	110.8	178	-73.5	-110.3	0	0	0	109.8	Q294 R296 E317 Y321 A337 V339	Q294-F319 PolarHBondContact O-N 3.06Å; R296-F319 HydrophobicContact CB-CD2 4.01Å; R296-F319 HydrophobicContact CB-CE2 3.79Å; R296-F319 HydrophobicContact CG-CD2 3.88Å; R296-F319 HydrophobicContact CG-CE2 4.12Å; E317-F319 HydrophobicContact CB-CE2 3.94Å; E317-F319 WeakPolarHBondContact O-CD2 3.34Å; F319-Y321 HydrophobicContact CB-CE2 4.03Å; F319-A337 HydrophobicContact CD1-CB 4.48Å; F319-V339 HydrophobicContact CD1-CG2 3.97Å; F319-V339 HydrophobicContact CE1-CG2 3.83Å; F319-V339 HydrophobicContact CE2-CG1 4.25Å; F319-V339 HydrophobicContact CZ-CG1 4.24Å; F319-V339 HydrophobicContact CZ-CG2 4.24Å
320	S	88.1	Confident	82.2	Confident	54 Å²	54	56.8 Å²	56.8	38%	0.378	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	115.8	173.3	54.4	0	0	0	0	109.8	E338	S320-E338 PolarHBondContact N-O 3.47Å; S320-E338 PolarHBondContact O-N 3.13Å; S320-E338 PolarHBondContact OG-O 2.87Å
321	Y	88.1	Confident	81	Confident	5 Å²	5	59.4 Å²	59.4	2%	0.02	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	140.3	-178.5	-63.2	-99.9	0	0	0	111.1	F319 A337 R375 L412 F414 A476 R478	F319-Y321 HydrophobicContact CB-CE2 4.03Å; Y321-A337 HydrophobicContact CD1-CB 3.75Å; Y321-A337 HydrophobicContact CE1-CB 3.57Å; Y321-R375 PolarHBondContact O-NH1 3.45Å; Y321-L412 HydrophobicContact CD1-CD1 4.39Å; Y321-L412 HydrophobicContact CD1-CD2 3.6Å; Y321-L412 HydrophobicContact CD2-CD1 3.93Å; Y321-L412 HydrophobicContact CE1-CD1 4.43Å; Y321-L412 HydrophobicContact CE1-CD2 3.44Å; Y321-L412 VanDerWaalsContact CE1-CD2 3.44Å; Y321-L412 HydrophobicContact CE2-CD1 3.99Å; Y321-L412 HydrophobicContact CE2-CD2 4.44Å; Y321-L412 HydrophobicContact CG-CD1 4.14Å; Y321-L412 HydrophobicContact CG-CD2 4.16Å; Y321-F414 HydrophobicContact CD1-CZ 4.16Å; Y321-F414 HydrophobicContact CG-CZ 4.21Å; Y321-A476 VanDerWaalsContact CD2-O 3.24Å; Y321-A476 WeakPolarHBondContact CD2-O 3.06Å; Y321-R478 HydrophobicContact CE2-CB 4.13Å
322	T	84.8	Confident	80.3	Confident	31 Å²	31	61.8 Å²	61.8	19%	0.19	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	137	-176.8	57.4	0	0	0	0	110.8	K324 H335 E336 E338	T322-K324 WeakPolarHBondContact OG1-CE 3.42Å; T322-H335 WeakPolarHBondContact O-CA 3.33Å; T322-E336 PolarHBondContact N-O 3.09Å; T322-E336 PolarHBondContact O-N 2.89Å; T322-E336 PolarHBondContact OG1-O 2.58Å; T322-E338 HydrophobicContact CG2-CG 4.21Å
323	E	85.5	Confident	79.7	Confident	45 Å²	45	62.3 Å²	62.3	21%	0.21	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	123.3	169.2	-173.9	-168.1	-112.6	0	0	108.5	K325 V333 Y377 E378	E323-K325 WeakPolarHBondContact OE2-CE 3.32Å; E323-K325 IonicContact OE2-NZ 3.24Å; E323-V333 HydrophobicContact CG-CG1 3.28Å; E323-Y377 HydrophobicContact CB-CD1 4.27Å; E323-Y377 WeakPolarHBondContact OE1-CA 3.24Å; E323-E378 PolarHBondContact OE1-N 2.95Å
324	K	82.9	Confident	79.2	Confident	66 Å²	66	62.1 Å²	62.1	29%	0.287	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	121.8	176.5	-64.1	-177	-164.1	169.2	0	110.5	T322 S334 E336 E338	T322-K324 WeakPolarHBondContact OG1-CE 3.42Å; K324-S334 PolarHBondContact N-O 3Å; K324-S334 PolarHBondContact O-N 3.34Å; K324-S334 PolarHBondContact O-OG 3.37Å; K324-E336 HydrophobicContact CD-CB 4.3Å; K324-E336 HydrophobicContact CD-CG 4.37Å; K324-E336 VanDerWaalsContact CD-OE2 3.29Å; K324-E336 WeakPolarHBondContact CD-OE2 3.36Å; K324-E336 WeakPolarHBondContact CE-OE2 3.44Å; K324-E336 IonicContact NZ-OE2 2.63Å; K324-E336 PolarHBondContact NZ-OE2 2.95Å; K324-E338 WeakPolarHBondContact CE-OE1 3.21Å; K324-E338 IonicContact NZ-OE1 2.9Å; K324-E338 PolarHBondContact NZ-OE1 3.2Å
325	K	78	Confident	78.7	Confident	87 Å²	87	62.2 Å²	62.2	38%	0.378	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	114.2	-178.6	-57.3	-179.1	-178.3	-169.8	0	108.9	E323 E378	E323-K325 WeakPolarHBondContact OE2-CE 3.32Å; E323-K325 IonicContact OE2-NZ 3.24Å; K325-E378 WeakPolarHBondContact CD-OE2 3.39Å; K325-E378 WeakPolarHBondContact CE-OE1 3.48Å; K325-E378 WeakPolarHBondContact CE-OE2 3.3Å; K325-E378 IonicContact NZ-OE1 3.39Å; K325-E378 PolarHBondContact NZ-OE1 2.67Å; K325-E378 IonicContact NZ-OE2 3.88Å; K325-E378 PolarHBondContact NZ-OE2 2.94Å
326	R	67.3	Low	78.1	Confident	79 Å²	79	61.6 Å²	61.6	30%	0.298	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	113.3	-178.3	-62.9	-177	174.7	-170.2	-3.7	109.3	H328 E332 S334 E336	R326-H328 PolarHBondContact O-N 2.92Å; R326-E332 WeakPolarHBondContact CB-O 3.25Å; R326-E332 PolarHBondContact N-O 3.36Å; R326-S334 PolarHBondContact NE-OG 3.08Å; R326-E336 IonicContact CZ-OE1 2.64Å; R326-E336 IonicContact NE-OE1 3.49Å; R326-E336 IonicContact NH2-OE1 3.08Å; R326-E336 PolarHBondContact NH2-OE1 3.24Å
327	F	59.1	Low	77.8	Confident	185 Å²	185	62.6 Å²	62.6	81%	0.811	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76	68.7	178.2	-68.4	-81	0	0	0	111.8
328	H	58.5	Low	77.5	Confident	118 Å²	118	65.3 Å²	65.3	55%	0.546	32%	0.323	S	S	.	.	S	Bend	trans	-98.3	170.7	169	-74.4	-36	0	0	0	110.1	R326 K330	R326-H328 PolarHBondContact O-N 2.92Å; H328-K330 CarbonylContact C-O 3.55Å; H328-K330 VanDerWaalsContact C-O 3.28Å; H328-K330 WeakPolarHBondContact CB-O 3.22Å; H328-K330 CarbonylContact O-C 3.57Å; H328-K330 PolarHBondContact O-N 3.44Å; H328-K330 VanDerWaalsContact O-N 3.12Å
329	P	62.3	Low	77.4	Confident	143 Å²	143	67.1 Å²	67.1	93%	0.929	33%	0.334	S	S	*	.	S	Bend	trans	-65.2	-7.9	175.5	25.1	-35.5	0	0	0	114.2
330	K	58.4	Low	77.5	Confident	168 Å²	168	70 Å²	70	73%	0.73	35%	0.349	S	S	*	.	S	Bend	trans	-107.6	139.1	154.7	-63	177.5	-178.2	176.1	0	107.2	H328 E332	H328-K330 CarbonylContact C-O 3.55Å; H328-K330 VanDerWaalsContact C-O 3.28Å; H328-K330 WeakPolarHBondContact CB-O 3.22Å; H328-K330 CarbonylContact O-C 3.57Å; H328-K330 PolarHBondContact O-N 3.44Å; H328-K330 VanDerWaalsContact O-N 3.12Å; K330-E332 PolarHBondContact O-N 2.96Å
331	L	58.7	Low	77.7	Confident	120 Å²	120	69.8 Å²	69.8	63%	0.628	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	109.5	163.9	-169.9	73.3	0	0	0	106.6
332	E	73.5	Confident	77.8	Confident	49 Å²	49	70.8 Å²	70.8	23%	0.229	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	126.8	177.2	-175.3	-172.7	155.1	0	0	107.9	G58 R326 K330	G58-E332 PolarHBondContact N-OE1 2.68Å; R326-E332 WeakPolarHBondContact CB-O 3.25Å; R326-E332 PolarHBondContact N-O 3.36Å; K330-E332 PolarHBondContact O-N 2.96Å
333	V	77.6	Confident	78.3	Confident	11 Å²	11	69.3 Å²	69.3	7%	0.067	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	138	175.8	-174.3	0	0	0	0	108.9	E323 E378 E379	E323-V333 HydrophobicContact CG-CG1 3.28Å; V333-E378 HydrophobicContact CG2-CB 3.94Å; V333-E379 HydrophobicContact CB-CB 4.32Å; V333-E379 HydrophobicContact CB-CG 3.99Å; V333-E379 WeakPolarHBondContact CB-OE1 3.2Å; V333-E379 HydrophobicContact CG2-CG 3.96Å; V333-E379 WeakPolarHBondContact CG2-OE1 3.29Å; V333-E379 PolarHBondContact N-OE1 2.96Å
334	S	81.6	Confident	78.7	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	118	175.3	60.3	0	0	0	0	110.4	F56 K324 R326 E336	F56-S334 WeakPolarHBondContact O-CA 3.31Å; F56-S334 WeakPolarHBondContact O-CB 3.23Å; K324-S334 PolarHBondContact N-O 3Å; K324-S334 PolarHBondContact O-N 3.34Å; K324-S334 PolarHBondContact O-OG 3.37Å; R326-S334 PolarHBondContact NE-OG 3.08Å; S334-E336 PolarHBondContact O-N 2.69Å
335	H	84.4	Confident	79.2	Confident	2 Å²	2	65 Å²	65	1%	0.009	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	118.4	168.1	-67.4	116.1	0	0	0	109.9	S55 F56 T322 Y377 E379 E381 F414	S55-H335 WeakPolarHBondContact CA-O 3.3Å; F56-H335 HydrophobicContact CD2-CB 3.92Å; F56-H335 PolarHBondContact N-O 3.15Å; T322-H335 WeakPolarHBondContact O-CA 3.33Å; H335-Y377 AromaticContact NE2-CD1 3.57Å; H335-E379 PolarHBondContact CE1-O 3.2Å; H335-E381 IonicContact CE1-OE2 2.7Å; H335-E381 IonicContact CG-OE2 3.76Å; H335-E381 IonicContact ND1-OE2 2.77Å; H335-E381 PolarHBondContact ND1-OE2 2.98Å; H335-F414 HydrophobicContact CB-CD2 4.39Å; H335-F414 HydrophobicContact CB-CE1 4.38Å; H335-F414 HydrophobicContact CB-CE2 3.69Å; H335-F414 HydrophobicContact CB-CZ 3.68Å; H335-F414 AromaticContact CD2-CD1 3.68Å; H335-F414 AromaticContact CD2-CE1 3.65Å; H335-F414 AromaticContact CD2-CG 3.86Å; H335-F414 AromaticContact CD2-CZ 3.81Å; H335-F414 AromaticContact CE1-CD2 3.88Å; H335-F414 AromaticContact CE1-CG 3.81Å; H335-F414 AromaticContact CG-CD2 3.79Å; H335-F414 AromaticContact CG-CE2 3.57Å; H335-F414 AromaticContact CG-CZ 3.69Å; H335-F414 AromaticContact ND1-CD2 3.67Å; H335-F414 AromaticContact ND1-CE2 3.86Å; H335-F414 AromaticContact NE2-CD1 3.79Å; H335-F414 AromaticContact NE2-CG 3.69Å
336	E	82.2	Confident	79.9	Confident	51 Å²	51	60.9 Å²	60.9	24%	0.238	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	134.6	-179.8	-69.3	-176.3	-171.6	0	0	111	T322 K324 R326 S334	T322-E336 PolarHBondContact N-O 3.09Å; T322-E336 PolarHBondContact O-N 2.89Å; T322-E336 PolarHBondContact OG1-O 2.58Å; K324-E336 HydrophobicContact CD-CB 4.3Å; K324-E336 HydrophobicContact CD-CG 4.37Å; K324-E336 VanDerWaalsContact CD-OE2 3.29Å; K324-E336 WeakPolarHBondContact CD-OE2 3.36Å; K324-E336 WeakPolarHBondContact CE-OE2 3.44Å; K324-E336 IonicContact NZ-OE2 2.63Å; K324-E336 PolarHBondContact NZ-OE2 2.95Å; R326-E336 IonicContact CZ-OE1 2.64Å; R326-E336 IonicContact NE-OE1 3.49Å; R326-E336 IonicContact NH2-OE1 3.08Å; R326-E336 PolarHBondContact NH2-OE1 3.24Å; S334-E336 PolarHBondContact O-N 2.69Å
337	A	86.4	Confident	81.1	Confident	22 Å²	22	57.5 Å²	57.5	18%	0.182	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	121.6	172.4	0	0	0	0	0	110.9	F319 Y321	F319-A337 HydrophobicContact CD1-CB 4.48Å; Y321-A337 HydrophobicContact CD1-CB 3.75Å; Y321-A337 HydrophobicContact CE1-CB 3.57Å
338	E	88.1	Confident	82.5	Confident	88 Å²	88	52.8 Å²	52.8	41%	0.411	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	134.5	169.2	-52.5	-161.8	149.6	0	0	108.9	S320 T322 K324	S320-E338 PolarHBondContact N-O 3.47Å; S320-E338 PolarHBondContact O-N 3.13Å; S320-E338 PolarHBondContact OG-O 2.87Å; T322-E338 HydrophobicContact CG2-CG 4.21Å; K324-E338 WeakPolarHBondContact CE-OE1 3.21Å; K324-E338 IonicContact NZ-OE1 2.9Å; K324-E338 PolarHBondContact NZ-OE1 3.2Å
339	V	90.1	Very high	83.8	Confident	65 Å²	65	48.9 Å²	48.9	39%	0.394	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	108	-167.2	-174.8	0	0	0	0	110.4	E317 L318 F319	E317-V339 HydrophobicContact CB-CG1 3.73Å; E317-V339 HydrophobicContact CG-CG1 4.3Å; L318-V339 WeakPolarHBondContact O-CA 3.28Å; F319-V339 HydrophobicContact CD1-CG2 3.97Å; F319-V339 HydrophobicContact CE1-CG2 3.83Å; F319-V339 HydrophobicContact CE2-CG1 4.25Å; F319-V339 HydrophobicContact CZ-CG1 4.24Å; F319-V339 HydrophobicContact CZ-CG2 4.24Å
340	E	91.3	Very high	85	Confident	82 Å²	82	43.7 Å²	43.7	38%	0.383	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	120.5	174	177.3	161.7	-135.3	0	0	111.3	K252 E317 L318 L342	K252-E340 WeakPolarHBondContact CE-OE1 3.34Å; K252-E340 IonicContact NZ-OE1 2.72Å; K252-E340 PolarHBondContact NZ-OE1 3.18Å; K252-E340 IonicContact NZ-OE2 2.68Å; E317-E340 CarbonylContact C-O 3.52Å; E317-E340 WeakPolarHBondContact CA-O 3.25Å; L318-E340 HydrophobicContact CB-CB 4.39Å; L318-E340 PolarHBondContact N-O 3.4Å; L318-E340 PolarHBondContact O-N 3.5Å; E340-L342 HydrophobicContact CG-CD2 4.41Å; E340-L342 PolarHBondContact O-N 3.44Å; E340-L342 VanDerWaalsContact O-N 3.16Å
341	Q	92.3	Very high	86.3	Confident	48 Å²	48	41.8 Å²	41.8	22%	0.224	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	102.7	172.6	-167.8	-152.2	-84.6	0	0	110.6	K315 E317	K315-Q341 HydrophobicContact CB-CG 4.06Å; K315-Q341 HydrophobicContact CD-CG 3.97Å; K315-Q341 HydrophobicContact CG-CG 4.01Å; E317-Q341 HydrophobicContact CG-CG 4.35Å
342	L	92	Very high	87.7	Confident	26 Å²	26	37.6 Å²	37.6	14%	0.136	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	-58.9	-179.7	-61.5	166.1	0	0	0	111.4	F289 C295 V316 L318 E340	F289-L342 HydrophobicContact CE1-CD1 4.29Å; F289-L342 HydrophobicContact CZ-CB 4.13Å; F289-L342 HydrophobicContact CZ-CD1 3.81Å; F289-L342 HydrophobicContact CZ-CD2 4.38Å; F289-L342 HydrophobicContact CZ-CG 4.34Å; C295-L342 WeakPolarHBondContact SG-CD1 3.47Å; V316-L342 HydrophobicContact CG1-CD1 4.2Å; V316-L342 WeakPolarHBondContact O-CB 3.2Å; V316-L342 PolarHBondContact O-N 3.43Å; L318-L342 HydrophobicContact CB-CD1 3.72Å; L318-L342 HydrophobicContact CB-CD2 4.28Å; L318-L342 HydrophobicContact CB-CG 3.94Å; L318-L342 HydrophobicContact CD2-CD2 4.4Å; E340-L342 HydrophobicContact CG-CD2 4.41Å; E340-L342 PolarHBondContact O-N 3.44Å; E340-L342 VanDerWaalsContact O-N 3.16Å
343	L	93.6	Very high	88.5	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	156.1	-176.7	-57.2	175.4	0	0	0	109.9	L247 E251 L274 M276 F289 K315 V316 F345	L247-L343 HydrophobicContact CD1-CD2 4.37Å; E251-L343 HydrophobicContact CG-CD2 4Å; L274-L343 HydrophobicContact CD1-CD1 4.12Å; M276-L343 HydrophobicContact CE-CD1 3.73Å; M276-L343 HydrophobicContact CE-CD2 4.2Å; F289-L343 HydrophobicContact CB-CD1 4.35Å; F289-L343 HydrophobicContact CD1-CD1 3.83Å; F289-L343 HydrophobicContact CD2-CD1 4.33Å; F289-L343 HydrophobicContact CD2-CD2 4.49Å; F289-L343 HydrophobicContact CE1-CD1 4.26Å; F289-L343 HydrophobicContact CG-CD1 3.88Å; K315-L343 VanDerWaalsContact CA-O 3.32Å; K315-L343 WeakPolarHBondContact CA-O 3.47Å; V316-L343 HydrophobicContact CB-CB 4.1Å; V316-L343 HydrophobicContact CG2-CB 4.18Å; V316-L343 HydrophobicContact CG2-CD1 4.44Å; V316-L343 PolarHBondContact N-O 2.79Å; V316-L343 PolarHBondContact O-N 3.18Å; L343-F345 HydrophobicContact CB-CE2 4.12Å; L343-F345 HydrophobicContact CB-CZ 4.25Å; L343-F345 HydrophobicContact CD1-CE2 4.05Å; L343-F345 HydrophobicContact CD1-CZ 3.71Å
344	K	94.6	Very high	89	Confident	20 Å²	20	38.1 Å²	38.1	9%	0.087	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	116.8	166.6	-172.2	-175.7	-177.6	-177.7	0	109.4	R248 W261 E303 T313 V314 K315	R248-K344 HydrophobicContact CB-CB 3.97Å; R248-K344 PolarHBondContact N-O 3.16Å; W261-K344 HydrophobicContact CH2-CD 3.95Å; W261-K344 HydrophobicContact CH2-CG 3.93Å; W261-K344 HydrophobicContact CZ2-CD 4.36Å; W261-K344 HydrophobicContact CZ3-CG 4.5Å; E303-K344 IonicContact OE1-NZ 3.72Å; E303-K344 PolarHBondContact OE1-NZ 2.76Å; E303-K344 IonicContact OE2-NZ 2.59Å; E303-K344 PolarHBondContact OE2-NZ 3.33Å; T313-K344 WeakPolarHBondContact OG1-CE 3.34Å; V314-K344 CarbonylContact O-C 3.52Å; V314-K344 WeakPolarHBondContact O-CA 3.49Å; K315-K344 HydrophobicContact CG-CB 4.49Å; K315-K344 HydrophobicContact CG-CD 4.49Å; K315-K344 HydrophobicContact CG-CG 4.12Å
345	F	94.2	Very high	89.4	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	163.9	173.9	-53.7	-74.4	0	0	0	110.6	V245 M246 L247 I264 L266 L274 M276 T313 V314 V316 L343 M360	V245-F345 HydrophobicContact CG2-CD1 4.01Å; M246-F345 CarbonylContact O-C 3.58Å; M246-F345 WeakPolarHBondContact O-CA 3.27Å; L247-F345 HydrophobicContact CD1-CD1 3.99Å; L247-F345 HydrophobicContact CD1-CE1 3.85Å; I264-F345 HydrophobicContact CD1-CD1 4.34Å; I264-F345 HydrophobicContact CD1-CE1 4.04Å; L266-F345 HydrophobicContact CD1-CE1 4.08Å; L266-F345 HydrophobicContact CD1-CZ 4.09Å; L266-F345 HydrophobicContact CD2-CD1 4.16Å; L266-F345 HydrophobicContact CD2-CE1 3.77Å; L266-F345 HydrophobicContact CD2-CE2 4.15Å; L266-F345 HydrophobicContact CD2-CG 4.5Å; L266-F345 HydrophobicContact CD2-CZ 3.76Å; L274-F345 HydrophobicContact CD1-CE2 4.41Å; L274-F345 HydrophobicContact CD1-CZ 4.32Å; M276-F345 HydrophobicContact CE-CE1 4.33Å; M276-F345 HydrophobicContact CE-CZ 4.19Å; T313-F345 VanDerWaalsContact CA-O 3.31Å; T313-F345 WeakPolarHBondContact CA-O 3.35Å; V314-F345 HydrophobicContact CG1-CB 3.81Å; V314-F345 HydrophobicContact CG1-CD2 4.19Å; V314-F345 PolarHBondContact N-O 2.85Å; V314-F345 PolarHBondContact O-N 2.75Å; V314-F345 VanDerWaalsContact O-O 3.06Å; V316-F345 HydrophobicContact CG2-CD2 4.4Å; V316-F345 HydrophobicContact CG2-CE2 3.86Å; L343-F345 HydrophobicContact CB-CE2 4.12Å; L343-F345 HydrophobicContact CB-CZ 4.25Å; L343-F345 HydrophobicContact CD1-CE2 4.05Å; L343-F345 HydrophobicContact CD1-CZ 3.71Å; F345-M360 HydrophobicContact CD2-CE 4.08Å; F345-M360 HydrophobicContact CE2-CE 3.58Å; F345-M360 HydrophobicContact CZ-CE 4.37Å
346	G	92.9	Very high	89.8	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	155.6	166.9	0	0	0	0	0	113.2	M246 L312	M246-G346 WeakPolarHBondContact CB-O 3.37Å; M246-G346 PolarHBondContact N-O 3.09Å; M246-G346 PolarHBondContact O-N 3.36Å; L312-G346 CarbonylContact O-C 3.35Å; L312-G346 WeakPolarHBondContact O-CA 3.2Å
347	S	91.5	Very high	90.2	Very high	8 Å²	8	37.4 Å²	37.4	6%	0.056	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	166.5	177.7	-165.9	0	0	0	0	111.3	P244 V311 L312 A349 M353	P244-S347 PolarHBondContact O-OG 2.87Å; V311-S347 WeakPolarHBondContact CA-O 3.34Å; L312-S347 PolarHBondContact N-O 3.27Å; L312-S347 PolarHBondContact O-N 2.98Å; S347-A349 PolarHBondContact OG-N 3.04Å; S347-M353 PolarHBondContact N-SD 2.85Å
348	T	87.7	Confident	90.4	Very high	87 Å²	87	37.6 Å²	37.6	53%	0.534	20%	0.198	S	C	.	.	S	Bend	trans	-92.2	-14.1	166.7	50.3	0	0	0	0	112.6	V311 V597	V311-T348 HydrophobicContact CG1-CG2 4.11Å; T348-V597 VanDerWaalsContact O-CG1 3.26Å; T348-V597 WeakPolarHBondContact O-CG1 3.45Å
349	A	87.6	Confident	90.6	Very high	35 Å²	35	33.9 Å²	33.9	29%	0.289	18%	0.182	S	C	.	.			trans	-87.5	139.7	170.5	0	0	0	0	0	110.3	S347 D352 M353	S347-A349 PolarHBondContact OG-N 3.04Å; A349-D352 HydrophobicContact CB-CB 4.04Å; A349-D352 WeakPolarHBondContact CB-OD2 3.47Å; A349-M353 VanDerWaalsContact O-CG 3.28Å; A349-M353 WeakPolarHBondContact O-CG 3.37Å
350	H	86.9	Confident	90.6	Very high	34 Å²	34	30.9 Å²	30.9	16%	0.157	16%	0.163	C	C	.	.	S	Bend	trans	-82.3	-53.3	178.6	173.5	-107.5	0	0	0	112.1	L312 D352 M353 E354 R541 V597 Y598	L312-H350 HydrophobicContact CD1-CB 4.09Å; H350-D352 VanDerWaalsContact C-N 3.34Å; H350-D352 PolarHBondContact O-N 2.77Å; H350-M353 WeakPolarHBondContact O-CA 3.28Å; H350-M353 WeakPolarHBondContact O-CB 3.26Å; H350-M353 PolarHBondContact O-N 3.19Å; H350-E354 IonicContact CE1-OE1 3.22Å; H350-E354 PolarHBondContact CE1-OE1 2.94Å; H350-E354 IonicContact CE1-OE2 3.3Å; H350-E354 PolarHBondContact CE1-OE2 2.82Å; H350-E354 IonicContact ND1-OE2 3.45Å; H350-E354 VanDerWaalsContact NE2-CD 3.26Å; H350-E354 IonicContact NE2-OE1 3.72Å; H350-E354 PolarHBondContact NE2-OE1 3.44Å; H350-E354 IonicContact NE2-OE2 2.77Å; H350-E354 PolarHBondContact O-N 3.48Å; H350-E354 VanDerWaalsContact O-N 3.07Å; H350-R541 PolarHBondContact CE1-NH1 2.93Å; H350-R541 PolarHBondContact NE2-NH1 2.84Å; H350-V597 WeakPolarHBondContact CB-O 3.38Å; H350-Y598 AromaticContact CD2-CD1 3.25Å; H350-Y598 WeakPolarHBondContact CD2-CD1 3.48Å; H350-Y598 AromaticContact CD2-CE1 3.29Å; H350-Y598 WeakPolarHBondContact CD2-CE1 3.28Å; H350-Y598 AromaticContact CG-CD1 3.98Å; H350-Y598 AromaticContact NE2-CD1 3.46Å; H350-Y598 WeakPolarHBondContact NE2-CD1 3.44Å; H350-Y598 AromaticContact NE2-CE1 3.35Å; H350-Y598 VanDerWaalsContact NE2-CE1 3.35Å; H350-Y598 WeakPolarHBondContact NE2-CE1 3.24Å
351	E	85.6	Confident	90.6	Very high	128 Å²	128	30.3 Å²	30.3	60%	0.598	16%	0.161	S	C	*	.	H	α-helix	trans	-59.9	-42.9	-175.4	-65.5	162.4	-155.5	0	0	111.8	M353 E354 D355	E351-M353 PolarHBondContact O-N 2.61Å; E351-E354 PolarHBondContact O-N 3.41Å; E351-D355 WeakPolarHBondContact O-CB 3.44Å; E351-D355 PolarHBondContact O-N 3.34Å
352	D	88.8	Confident	90.5	Very high	32 Å²	32	28.2 Å²	28.2	17%	0.171	15%	0.151	C	C	.	.	H	α-helix	trans	-60.1	-27.6	175	-67.5	-18.2	0	0	0	113.1	R240 W243 A349 H350 L356	R240-D352 IonicContact CZ-OD1 3.76Å; R240-D352 IonicContact NH1-OD1 3.29Å; R240-D352 PolarHBondContact NH1-OD1 3.29Å; W243-D352 VanDerWaalsContact CD1-O 3.23Å; A349-D352 HydrophobicContact CB-CB 4.04Å; A349-D352 WeakPolarHBondContact CB-OD2 3.47Å; H350-D352 VanDerWaalsContact C-N 3.34Å; H350-D352 PolarHBondContact O-N 2.77Å; D352-L356 WeakPolarHBondContact O-CB 3.33Å; D352-L356 PolarHBondContact O-N 2.86Å
353	M	90	Very high	90.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-85.7	-34.9	179.2	-69.4	-75.9	-60.4	0	0	112	V245 L300 L312 V314 S347 A349 H350 E351 V357	V245-M353 HydrophobicContact CG1-SD 4.43Å; L300-M353 HydrophobicContact CD1-CB 4.26Å; L300-M353 HydrophobicContact CD2-CB 3.94Å; L300-M353 HydrophobicContact CD2-CE 3.76Å; L312-M353 HydrophobicContact CB-CE 4.29Å; L312-M353 HydrophobicContact CB-CG 4.26Å; V314-M353 HydrophobicContact CB-CE 3.93Å; V314-M353 HydrophobicContact CG1-CE 3.63Å; S347-M353 PolarHBondContact N-SD 2.85Å; A349-M353 VanDerWaalsContact O-CG 3.28Å; A349-M353 WeakPolarHBondContact O-CG 3.37Å; H350-M353 WeakPolarHBondContact O-CA 3.28Å; H350-M353 WeakPolarHBondContact O-CB 3.26Å; H350-M353 PolarHBondContact O-N 3.19Å; E351-M353 PolarHBondContact O-N 2.61Å; M353-V357 VanDerWaalsContact O-CG2 3.26Å; M353-V357 WeakPolarHBondContact O-CG2 3.15Å; M353-V357 PolarHBondContact O-N 2.76Å; M353-V357 VanDerWaalsContact O-N 3.11Å
354	E	88.4	Confident	90.4	Very high	71 Å²	71	29.4 Å²	29.4	33%	0.332	16%	0.156	S	C	.	.	H	α-helix	trans	-68.7	-47.7	172.7	-73.5	-173	154.6	0	0	111	L300 H350 E351 L356 V357 V358 R541	L300-E354 HydrophobicContact CD1-CG 3.55Å; H350-E354 IonicContact CE1-OE1 3.22Å; H350-E354 PolarHBondContact CE1-OE1 2.94Å; H350-E354 IonicContact CE1-OE2 3.3Å; H350-E354 PolarHBondContact CE1-OE2 2.82Å; H350-E354 IonicContact ND1-OE2 3.45Å; H350-E354 VanDerWaalsContact NE2-CD 3.26Å; H350-E354 IonicContact NE2-OE1 3.72Å; H350-E354 PolarHBondContact NE2-OE1 3.44Å; H350-E354 IonicContact NE2-OE2 2.77Å; H350-E354 PolarHBondContact O-N 3.48Å; H350-E354 VanDerWaalsContact O-N 3.07Å; E351-E354 PolarHBondContact O-N 3.41Å; E354-L356 VanDerWaalsContact C-N 3.34Å; E354-L356 PolarHBondContact O-N 2.8Å; E354-V357 PolarHBondContact O-N 3.17Å; E354-V358 WeakPolarHBondContact O-CB 3.36Å; E354-V358 WeakPolarHBondContact O-CG2 3.19Å; E354-V358 PolarHBondContact O-N 3.16Å; E354-R541 IonicContact OE1-NH1 3.16Å; E354-R541 IonicContact OE1-NH2 2.7Å
355	D	89.8	Confident	90.2	Very high	17 Å²	17	29.1 Å²	29.1	9%	0.091	16%	0.155	C	C	.	.	H	α-helix	trans	-64.7	-35.3	177.8	-179.8	69.6	0	0	0	112.3	Q238 R240 W243 E351 S359	Q238-D355 PolarHBondContact N-OD1 2.85Å; Q238-D355 VanDerWaalsContact N-OD1 3.09Å; R240-D355 WeakPolarHBondContact CD-OD2 3.32Å; R240-D355 IonicContact CZ-OD2 3.39Å; R240-D355 IonicContact NE-OD2 2.79Å; R240-D355 PolarHBondContact NE-OD2 2.78Å; W243-D355 PolarHBondContact NE1-OD2 3.38Å; E351-D355 WeakPolarHBondContact O-CB 3.44Å; E351-D355 PolarHBondContact O-N 3.34Å; D355-S359 VanDerWaalsContact O-CB 3.23Å; D355-S359 WeakPolarHBondContact O-CB 3.39Å; D355-S359 PolarHBondContact O-N 3.29Å; D355-S359 PolarHBondContact O-OG 2.86Å
356	L	91.6	Very high	90	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-64.3	-45.6	171.3	176.8	64.1	0	0	0	112.6	W243 V245 L266 D352 E354 S359 M360	W243-L356 HydrophobicContact CD2-CB 4.17Å; W243-L356 HydrophobicContact CD2-CD1 3.73Å; W243-L356 HydrophobicContact CE3-CD1 3.51Å; W243-L356 HydrophobicContact CG-CB 4.17Å; W243-L356 HydrophobicContact CG-CD1 4.3Å; W243-L356 HydrophobicContact CH2-CD1 4.38Å; W243-L356 HydrophobicContact CZ3-CD1 3.86Å; V245-L356 HydrophobicContact CG1-CD2 4.07Å; L266-L356 HydrophobicContact CD2-CD1 3.78Å; L266-L356 HydrophobicContact CD2-CD2 4.04Å; D352-L356 WeakPolarHBondContact O-CB 3.33Å; D352-L356 PolarHBondContact O-N 2.86Å; E354-L356 VanDerWaalsContact C-N 3.34Å; E354-L356 PolarHBondContact O-N 2.8Å; L356-S359 PolarHBondContact O-N 2.98Å; L356-M360 HydrophobicContact CD1-CE 3.65Å; L356-M360 HydrophobicContact CD1-CG 4.44Å; L356-M360 HydrophobicContact CD1-SD 4.44Å; L356-M360 HydrophobicContact CD2-CE 4.35Å; L356-M360 HydrophobicContact CG-CE 4Å; L356-M360 HydrophobicContact CG-SD 4.4Å; L356-M360 WeakPolarHBondContact O-CG 3.37Å; L356-M360 PolarHBondContact O-N 3.36Å
357	V	91.8	Very high	89.8	Confident	22 Å²	22	34.2 Å²	34.2	13%	0.133	18%	0.178	C	C	.	.	H	α-helix	trans	-60.9	-50.6	177.6	164.2	0	0	0	0	110.1	P297 L300 V314 M353 E354 S359 M360 E361	P297-V357 HydrophobicContact CB-CG1 4.29Å; P297-V357 HydrophobicContact CB-CG2 4.49Å; P297-V357 HydrophobicContact CG-CG1 4.18Å; L300-V357 HydrophobicContact CD2-CG2 3.86Å; L300-V357 HydrophobicContact CG-CG2 4.36Å; V314-V357 HydrophobicContact CB-CG2 4.24Å; V314-V357 HydrophobicContact CG2-CG2 3.74Å; M353-V357 VanDerWaalsContact O-CG2 3.26Å; M353-V357 WeakPolarHBondContact O-CG2 3.15Å; M353-V357 PolarHBondContact O-N 2.76Å; M353-V357 VanDerWaalsContact O-N 3.11Å; E354-V357 PolarHBondContact O-N 3.17Å; V357-S359 PolarHBondContact O-N 2.72Å; V357-M360 WeakPolarHBondContact O-CB 3.06Å; V357-M360 PolarHBondContact O-N 2.8Å; V357-E361 WeakPolarHBondContact O-CG 3.43Å; V357-E361 PolarHBondContact O-N 2.79Å
358	V	89.7	Confident	89.2	Confident	26 Å²	26	37.4 Å²	37.4	16%	0.158	20%	0.2	C	C	.	.	H	α-helix	trans	-57	-48.1	178	165.7	0	0	0	0	111	R236 S237 E354 M360 E361 E362	R236-V358 HydrophobicContact CB-CG1 3.57Å; S237-V358 VanDerWaalsContact N-CG1 3.33Å; E354-V358 WeakPolarHBondContact O-CB 3.36Å; E354-V358 WeakPolarHBondContact O-CG2 3.19Å; E354-V358 PolarHBondContact O-N 3.16Å; V358-M360 VanDerWaalsContact C-N 3.32Å; V358-M360 PolarHBondContact O-N 3.22Å; V358-E361 PolarHBondContact O-N 3.2Å; V358-E362 HydrophobicContact CG1-CG 4.5Å; V358-E362 WeakPolarHBondContact CG1-OE1 3.23Å; V358-E362 WeakPolarHBondContact O-CG 3.41Å; V358-E362 PolarHBondContact O-N 3.12Å
359	S	91.6	Very high	88.5	Confident	9 Å²	9	34.3 Å²	34.3	6%	0.063	18%	0.181	C	C	.	.	H	α-helix	trans	-63	-37.1	179.6	-59.3	0	0	0	0	112.4	S237 W243 L268 D355 L356 V357 E363	S237-S359 VanDerWaalsContact CB-OG 3.28Å; S237-S359 WeakPolarHBondContact CB-OG 3.09Å; W243-S359 WeakPolarHBondContact CZ2-OG 3.49Å; L268-S359 WeakPolarHBondContact CD2-O 3.49Å; D355-S359 VanDerWaalsContact O-CB 3.23Å; D355-S359 WeakPolarHBondContact O-CB 3.39Å; D355-S359 PolarHBondContact O-N 3.29Å; D355-S359 PolarHBondContact O-OG 2.86Å; L356-S359 PolarHBondContact O-N 2.98Å; V357-S359 PolarHBondContact O-N 2.72Å; S359-E363 PolarHBondContact O-N 2.88Å; S359-E363 VanDerWaalsContact O-N 3.08Å
360	M	91.8	Very high	87.4	Confident	2 Å²	2	36.1 Å²	36.1	1%	0.01	19%	0.19	C	C	.	.	H	α-helix	trans	-64.2	-47.6	172.4	-75.1	178.3	176.4	0	0	111.9	L266 L268 L274 L291 V316 F345 L356 V357 V358 E362 E363 I364	L266-M360 HydrophobicContact CD2-CE 4.13Å; L268-M360 HydrophobicContact CD2-CG 4.48Å; L274-M360 HydrophobicContact CD1-CE 3.86Å; L274-M360 HydrophobicContact CD2-CE 3.66Å; L274-M360 HydrophobicContact CG-CE 4.45Å; L291-M360 HydrophobicContact CD1-CG 4.4Å; V316-M360 HydrophobicContact CG2-CE 4.36Å; V316-M360 HydrophobicContact CG2-SD 4.14Å; F345-M360 HydrophobicContact CD2-CE 4.08Å; F345-M360 HydrophobicContact CE2-CE 3.58Å; F345-M360 HydrophobicContact CZ-CE 4.37Å; L356-M360 HydrophobicContact CD1-CE 3.65Å; L356-M360 HydrophobicContact CD1-CG 4.44Å; L356-M360 HydrophobicContact CD1-SD 4.44Å; L356-M360 HydrophobicContact CD2-CE 4.35Å; L356-M360 HydrophobicContact CG-CE 4Å; L356-M360 HydrophobicContact CG-SD 4.4Å; L356-M360 WeakPolarHBondContact O-CG 3.37Å; L356-M360 PolarHBondContact O-N 3.36Å; V357-M360 WeakPolarHBondContact O-CB 3.06Å; V357-M360 PolarHBondContact O-N 2.8Å; V358-M360 VanDerWaalsContact C-N 3.32Å; V358-M360 PolarHBondContact O-N 3.22Å; M360-E362 VanDerWaalsContact C-N 3.29Å; M360-E362 PolarHBondContact O-N 2.82Å; M360-E363 PolarHBondContact O-N 2.83Å; M360-I364 HydrophobicContact CB-CD1 4.46Å; M360-I364 WeakPolarHBondContact O-CB 3.36Å; M360-I364 VanDerWaalsContact O-CD1 3.3Å; M360-I364 WeakPolarHBondContact O-CD1 3.49Å; M360-I364 WeakPolarHBondContact O-CG1 3.35Å; M360-I364 PolarHBondContact O-N 3.39Å
361	E	91	Very high	86.1	Confident	71 Å²	71	43.8 Å²	43.8	33%	0.332	23%	0.225	S	C	.	.	H	α-helix	trans	-59.5	-40.7	177.6	-68	-172.5	152.4	0	0	111.8	P297 V357 V358 I364 F365	P297-E361 HydrophobicContact CG-CG 3.51Å; V357-E361 WeakPolarHBondContact O-CG 3.43Å; V357-E361 PolarHBondContact O-N 2.79Å; V358-E361 PolarHBondContact O-N 3.2Å; E361-I364 PolarHBondContact O-N 2.75Å; E361-F365 WeakPolarHBondContact O-CB 3.48Å; E361-F365 PolarHBondContact O-N 2.89Å
362	E	90.4	Very high	85	Confident	4 Å²	4	41.9 Å²	41.9	2%	0.019	22%	0.217	C	C	.	.	H	α-helix	trans	-71.3	-31.7	-179.9	-71.7	-177.1	-164.8	0	0	114.5	F235 R236 S237 V358 M360 K366	F235-E362 VanDerWaalsContact CA-OE1 3.32Å; F235-E362 WeakPolarHBondContact CA-OE1 3.27Å; F235-E362 HydrophobicContact CD1-CB 4.4Å; F235-E362 HydrophobicContact CD1-CG 3.75Å; F235-E362 HydrophobicContact CE1-CG 4.39Å; R236-E362 PolarHBondContact N-OE1 2.89Å; S237-E362 WeakPolarHBondContact CB-OE2 3.34Å; S237-E362 PolarHBondContact N-OE1 2.59Å; S237-E362 PolarHBondContact OG-OE2 3.3Å; V358-E362 HydrophobicContact CG1-CG 4.5Å; V358-E362 WeakPolarHBondContact CG1-OE1 3.23Å; V358-E362 WeakPolarHBondContact O-CG 3.41Å; V358-E362 PolarHBondContact O-N 3.12Å; M360-E362 VanDerWaalsContact C-N 3.29Å; M360-E362 PolarHBondContact O-N 2.82Å; E362-K366 WeakPolarHBondContact O-CD 3.35Å; E362-K366 WeakPolarHBondContact O-CE 3.46Å; E362-K366 WeakPolarHBondContact O-CG 3.17Å; E362-K366 PolarHBondContact O-NZ 3.1Å
363	E	91.2	Very high	83.7	Confident	28 Å²	28	49.5 Å²	49.5	13%	0.131	25%	0.251	C	S	.	.	H	α-helix	trans	-77.3	-38.9	170.9	-75.4	-57.7	121.3	0	0	111.3	L268 P270 G271 S359 M360 F365 K366 L367	L268-E363 HydrophobicContact CD1-CB 4.37Å; L268-E363 HydrophobicContact CD1-CG 4.22Å; L268-E363 HydrophobicContact CD2-CB 4.22Å; L268-E363 HydrophobicContact CD2-CG 3.82Å; L268-E363 HydrophobicContact CG-CG 4Å; P270-E363 VanDerWaalsContact CA-OE2 3.31Å; P270-E363 WeakPolarHBondContact CA-OE2 3.29Å; G271-E363 PolarHBondContact N-OE2 2.89Å; S359-E363 PolarHBondContact O-N 2.88Å; S359-E363 VanDerWaalsContact O-N 3.08Å; M360-E363 PolarHBondContact O-N 2.83Å; E363-F365 VanDerWaalsContact C-N 3.29Å; E363-F365 PolarHBondContact O-N 2.86Å; E363-K366 WeakPolarHBondContact O-CB 3.3Å; E363-K366 PolarHBondContact O-N 3.45Å; E363-K366 WeakPolarHBondContact OE1-CD 3.17Å; E363-K366 IonicContact OE1-NZ 3.29Å; E363-K366 PolarHBondContact OE1-NZ 3.4Å; E363-L367 WeakPolarHBondContact O-CG 3.35Å; E363-L367 PolarHBondContact O-N 2.83Å
364	I	90.8	Very high	82.6	Confident	23 Å²	23	53.7 Å²	53.7	12%	0.118	27%	0.267	C	S	.	.	H	α-helix	trans	-58.2	-41.1	174.9	-71.6	161.2	0	0	0	111.1	L291 C295 M360 E361 K366 L367	L291-I364 HydrophobicContact CB-CG1 4.49Å; L291-I364 HydrophobicContact CD1-CD1 4.4Å; L291-I364 HydrophobicContact CD1-CG1 4.23Å; C295-I364 HydrophobicContact CB-CD1 4.48Å; M360-I364 HydrophobicContact CB-CD1 4.46Å; M360-I364 WeakPolarHBondContact O-CB 3.36Å; M360-I364 VanDerWaalsContact O-CD1 3.3Å; M360-I364 WeakPolarHBondContact O-CD1 3.49Å; M360-I364 WeakPolarHBondContact O-CG1 3.35Å; M360-I364 PolarHBondContact O-N 3.39Å; E361-I364 PolarHBondContact O-N 2.75Å; I364-K366 PolarHBondContact O-N 3.37Å; I364-L367 HydrophobicContact CG1-CD1 4.49Å; I364-L367 PolarHBondContact O-N 3.44Å; I364-L367 VanDerWaalsContact O-N 3.15Å
365	F	90.9	Very high	82	Confident	15 Å²	15	56.2 Å²	56.2	7%	0.066	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-25.2	173.8	173.9	-109	0	0	0	114.1	F235 E361 E363 H453 H455 E480	F235-F365 HydrophobicContact CE1-CD1 4.21Å; F235-F365 HydrophobicContact CE1-CE1 4.44Å; F235-F365 HydrophobicContact CZ-CD1 4.45Å; F235-F365 HydrophobicContact CZ-CE1 4.34Å; E361-F365 WeakPolarHBondContact O-CB 3.48Å; E361-F365 PolarHBondContact O-N 2.89Å; E363-F365 VanDerWaalsContact C-N 3.29Å; E363-F365 PolarHBondContact O-N 2.86Å; F365-H453 HydrophobicContact CE1-CB 3.97Å; F365-H453 HydrophobicContact CZ-CB 4.05Å; F365-H455 HydrophobicContact CD2-CB 4.47Å; F365-H455 HydrophobicContact CE2-CB 3.98Å; F365-H455 PolarHBondContact O-CD2 2.82Å; F365-E480 HydrophobicContact CD2-CB 3.93Å; F365-E480 HydrophobicContact CD2-CG 3.83Å; F365-E480 HydrophobicContact CE2-CB 4.37Å; F365-E480 HydrophobicContact CE2-CG 3.95Å
366	K	89.4	Confident	81.6	Confident	92 Å²	92	64 Å²	64	40%	0.4	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-7.9	179.2	-61.8	164.2	-165	128	0	113	E362 E363 I364 S368	E362-K366 WeakPolarHBondContact O-CD 3.35Å; E362-K366 WeakPolarHBondContact O-CE 3.46Å; E362-K366 WeakPolarHBondContact O-CG 3.17Å; E362-K366 PolarHBondContact O-NZ 3.1Å; E363-K366 WeakPolarHBondContact O-CB 3.3Å; E363-K366 PolarHBondContact O-N 3.45Å; E363-K366 WeakPolarHBondContact OE1-CD 3.17Å; E363-K366 IonicContact OE1-NZ 3.29Å; E363-K366 PolarHBondContact OE1-NZ 3.4Å; I364-K366 PolarHBondContact O-N 3.37Å; K366-S368 PolarHBondContact O-N 2.7Å
367	L	88.9	Confident	81.3	Confident	14 Å²	14	64.6 Å²	64.6	7%	0.073	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-75.7	122.8	-175.1	-63.2	-177.5	0	0	0	112.4	G271 L291 P293 E363 I364 V369 H455	G271-L367 WeakPolarHBondContact O-CD2 3.22Å; L291-L367 HydrophobicContact CB-CD1 4.22Å; L291-L367 WeakPolarHBondContact O-CD1 3.24Å; P293-L367 HydrophobicContact CB-CB 4.13Å; P293-L367 HydrophobicContact CG-CB 3.89Å; P293-L367 HydrophobicContact CG-CD1 4.49Å; E363-L367 WeakPolarHBondContact O-CG 3.35Å; E363-L367 PolarHBondContact O-N 2.83Å; I364-L367 HydrophobicContact CG1-CD1 4.49Å; I364-L367 PolarHBondContact O-N 3.44Å; I364-L367 VanDerWaalsContact O-N 3.15Å; L367-V369 PolarHBondContact O-N 2.91Å; L367-H455 PolarHBondContact O-NE2 3.23Å
368	S	79.8	Confident	81	Confident	75 Å²	75	68.5 Å²	68.5	52%	0.524	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-55.4	124.3	164.1	-45.6	0	0	0	0	110.5	K366 Q456	K366-S368 PolarHBondContact O-N 2.7Å; S368-Q456 VanDerWaalsContact CB-OE1 3.24Å; S368-Q456 PolarHBondContact OG-OE1 2.71Å
369	V	72	Confident	80.9	Confident	22 Å²	22	70.5 Å²	70.5	13%	0.133	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-76.5	124.1	173.6	-166.5	0	0	0	0	109.7	P293 L367 H371 P474 V479	P293-V369 HydrophobicContact CB-CG2 3.71Å; P293-V369 HydrophobicContact CG-CB 4.15Å; P293-V369 HydrophobicContact CG-CG1 4.21Å; P293-V369 HydrophobicContact CG-CG2 3.83Å; L367-V369 PolarHBondContact O-N 2.91Å; V369-H371 PolarHBondContact O-N 3.2Å; V369-P474 HydrophobicContact CB-CB 3.88Å; V369-P474 HydrophobicContact CB-CG 3.69Å; V369-P474 HydrophobicContact CG1-CB 3.63Å; V369-P474 HydrophobicContact CG1-CG 4.03Å; V369-P474 HydrophobicContact CG2-CB 4.16Å; V369-P474 HydrophobicContact CG2-CG 3.63Å; V369-V479 HydrophobicContact CG2-CG1 3.84Å
370	P	64.8	Low	80.7	Confident	74 Å²	74	71.8 Å²	71.8	48%	0.481	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-62	139.1	-179.9	25.2	-34.3	0	0	0	110.4	Q372	P370-Q372 PolarHBondContact O-N 3.38Å
371	H	59.1	Low	80.6	Confident	194 Å²	194	72 Å²	72	90%	0.898	34%	0.342	S	S	*	.			trans	-62.1	98.9	175	-96.9	56.2	0	0	0	110.3	V369	V369-H371 PolarHBondContact O-N 3.2Å
372	Q	62.8	Low	80.6	Confident	89 Å²	89	68.6 Å²	68.6	42%	0.416	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-80.6	146.5	169	-61.8	-165.4	-13.5	0	0	109.6	Q294 P370 R374	Q294-Q372 VanDerWaalsContact NE2-NE2 3.12Å; P370-Q372 PolarHBondContact O-N 3.38Å; Q372-R374 PolarHBondContact O-N 2.98Å
373	Q	61.8	Low	80.7	Confident	192 Å²	192	68.5 Å²	68.5	90%	0.897	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-65.9	116.7	168.4	-72.8	-176.8	-24.9	0	0	108.3
374	R	66.1	Low	80.8	Confident	87 Å²	87	67.3 Å²	67.3	33%	0.328	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-61	142.1	-176.1	-68.2	-162.6	173.6	-172.2	-2.7	111.6	Q372 A417 P473 D475	Q372-R374 PolarHBondContact O-N 2.98Å; R374-A417 PolarHBondContact NH1-O 3.43Å; R374-P473 PolarHBondContact NH2-O 2.94Å; R374-D475 VanDerWaalsContact CA-OD2 3.22Å; R374-D475 WeakPolarHBondContact CA-OD2 3.49Å; R374-D475 HydrophobicContact CG-CB 3.99Å
375	R	75.8	Confident	80.9	Confident	125 Å²	125	66.9 Å²	66.9	47%	0.472	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-87.2	164.9	175.9	-59.2	177.2	-179.6	163.1	2.5	110.6	Y321 Y377 D475	Y321-R375 PolarHBondContact O-NH1 3.45Å; R375-Y377 HydrophobicContact CB-CE1 4.23Å; R375-Y377 HydrophobicContact CB-CE2 3.95Å; R375-D475 PolarHBondContact N-OD2 3.16Å
376	Q	82.9	Confident	81	Confident	181 Å²	181	66.3 Å²	66.3	85%	0.846	32%	0.316	S	S	*	.			trans	-101.4	115.7	166.7	-70.6	-179.9	-19.6	0	0	108.1
377	Y	84.9	Confident	81.2	Confident	12 Å²	12	62 Å²	62	5%	0.047	30%	0.297	C	S	.	.			trans	-94.3	144.4	175.7	-54.4	-81.9	0	0	0	109.9	E323 H335 R375 F414 N416 D475 A476	E323-Y377 HydrophobicContact CB-CD1 4.27Å; E323-Y377 WeakPolarHBondContact OE1-CA 3.24Å; H335-Y377 AromaticContact NE2-CD1 3.57Å; R375-Y377 HydrophobicContact CB-CE1 4.23Å; R375-Y377 HydrophobicContact CB-CE2 3.95Å; Y377-F414 HydrophobicContact CD1-CB 4.05Å; Y377-F414 HydrophobicContact CD1-CD1 4.07Å; Y377-F414 HydrophobicContact CD1-CG 4.47Å; Y377-F414 HydrophobicContact CD2-CB 4.06Å; Y377-F414 HydrophobicContact CE1-CB 4.18Å; Y377-F414 AromaticContact CE1-CD1 3.53Å; Y377-F414 HydrophobicContact CE1-CD1 3.53Å; Y377-F414 HydrophobicContact CE1-CE1 4.39Å; Y377-F414 HydrophobicContact CE1-CG 4.3Å; Y377-F414 HydrophobicContact CE2-CB 4.21Å; Y377-F414 HydrophobicContact CG-CB 4Å; Y377-F414 AromaticContact CZ-CD1 3.84Å; Y377-N416 WeakPolarHBondContact CD2-OD1 3.48Å; Y377-N416 PolarHBondContact N-OD1 3.46Å; Y377-N416 PolarHBondContact O-ND2 3.27Å; Y377-N416 PolarHBondContact O-OD1 3.47Å; Y377-D475 VanDerWaalsContact CE2-OD1 3.29Å; Y377-D475 WeakPolarHBondContact CE2-OD1 3.43Å; Y377-D475 PolarHBondContact OH-OD1 2.94Å; Y377-D475 PolarHBondContact OH-OD2 3.3Å; Y377-D475 VanDerWaalsContact OH-OD2 3.09Å; Y377-A476 WeakPolarHBondContact OH-CB 3.32Å
378	E	85.8	Confident	81.4	Confident	103 Å²	103	61.3 Å²	61.3	48%	0.481	29%	0.294	S	S	.	.	S	Bend	trans	-74	-36.5	171.1	-78.8	179.1	171.4	0	0	111.3	E323 K325 V333	E323-E378 PolarHBondContact OE1-N 2.95Å; K325-E378 WeakPolarHBondContact CD-OE2 3.39Å; K325-E378 WeakPolarHBondContact CE-OE1 3.48Å; K325-E378 WeakPolarHBondContact CE-OE2 3.3Å; K325-E378 IonicContact NZ-OE1 3.39Å; K325-E378 PolarHBondContact NZ-OE1 2.67Å; K325-E378 IonicContact NZ-OE2 3.88Å; K325-E378 PolarHBondContact NZ-OE2 2.94Å; V333-E378 HydrophobicContact CG2-CB 3.94Å
379	E	86.1	Confident	81.9	Confident	69 Å²	69	58.6 Å²	58.6	32%	0.322	27%	0.272	S	S	.	.	S	Bend	trans	-118.9	123.2	175.4	-67.3	-178.6	-150.8	0	0	109.6	V333 H335	V333-E379 HydrophobicContact CB-CB 4.32Å; V333-E379 HydrophobicContact CB-CG 3.99Å; V333-E379 WeakPolarHBondContact CB-OE1 3.2Å; V333-E379 HydrophobicContact CG2-CG 3.96Å; V333-E379 WeakPolarHBondContact CG2-OE1 3.29Å; V333-E379 PolarHBondContact N-OE1 2.96Å; H335-E379 PolarHBondContact CE1-O 3.2Å
380	Q	89.1	Confident	82.8	Confident	36 Å²	36	57.8 Å²	57.8	17%	0.168	27%	0.267	C	S	.	.			trans	-91.4	123.5	178.1	-70.6	-176.5	101.8	0	0	110.4	F414 L415 N416 P668 Q669	Q380-F414 VanDerWaalsContact CA-O 3.3Å; Q380-F414 WeakPolarHBondContact CA-O 3.33Å; Q380-L415 HydrophobicContact CB-CD2 4.49Å; Q380-N416 HydrophobicContact CG-CB 4.36Å; Q380-P668 HydrophobicContact CB-CB 4.09Å; Q380-P668 CarbonylContact O-C 3.58Å; Q380-P668 WeakPolarHBondContact O-CA 3.33Å; Q380-P668 WeakPolarHBondContact O-CB 3.49Å; Q380-Q669 PolarHBondContact O-N 3.39Å
381	E	89.5	Confident	84	Confident	5 Å²	5	54.8 Å²	54.8	2%	0.023	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	143.3	-179.1	-58.4	-163.7	107.7	0	0	112.2	F56 H335 F414 Q669 H671	F56-E381 WeakPolarHBondContact CG-OE2 3.4Å; H335-E381 IonicContact CE1-OE2 2.7Å; H335-E381 IonicContact CG-OE2 3.76Å; H335-E381 IonicContact ND1-OE2 2.77Å; H335-E381 PolarHBondContact ND1-OE2 2.98Å; E381-F414 HydrophobicContact CB-CD2 4.17Å; E381-F414 PolarHBondContact N-O 3.2Å; E381-F414 PolarHBondContact O-N 2.85Å; E381-Q669 CarbonylContact C-O 3.5Å; E381-Q669 WeakPolarHBondContact CA-O 3.49Å; E381-Q669 HydrophobicContact CG-CB 4.31Å; E381-Q669 PolarHBondContact OE1-NE2 3.07Å; E381-H671 IonicContact OE1-CD2 2.69Å; E381-H671 IonicContact OE1-NE2 3.88Å; E381-H671 PolarHBondContact OE1-NE2 3.09Å; E381-H671 IonicContact OE2-NE2 2.75Å
382	L	91.1	Very high	85.6	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	107.2	175.4	-179.7	62	0	0	0	109.1	A413 L660 P668 Q669 K670 H671	L382-A413 HydrophobicContact CD1-CB 3.93Å; L382-L660 HydrophobicContact CD2-CD1 3.85Å; L382-L660 HydrophobicContact CD2-CD2 4.4Å; L382-L660 HydrophobicContact CD2-CG 3.94Å; L382-L660 HydrophobicContact CG-CD1 4.37Å; L382-L660 HydrophobicContact CG-CD2 4.39Å; L382-L660 HydrophobicContact CG-CG 4.44Å; L382-P668 HydrophobicContact CB-CB 3.99Å; L382-P668 HydrophobicContact CB-CG 3.55Å; L382-P668 HydrophobicContact CD2-CG 4.07Å; L382-P668 HydrophobicContact CG-CG 4.47Å; L382-Q669 PolarHBondContact N-O 2.87Å; L382-K670 WeakPolarHBondContact O-CA 3.36Å; L382-H671 PolarHBondContact O-N 3.5Å; L382-H671 VanDerWaalsContact O-N 3.17Å
383	S	91.9	Very high	86.9	Confident	3 Å²	3	43.1 Å²	43.1	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	132.3	-170.5	-67.7	0	0	0	0	110.9	W54 F56 C411 L412 H671	W54-S383 VanDerWaalsContact CZ3-CB 3.41Å; W54-S383 WeakPolarHBondContact CZ3-O 3.37Å; F56-S383 VanDerWaalsContact CE1-OG 3.27Å; F56-S383 WeakPolarHBondContact CE1-OG 3.25Å; F56-S383 WeakPolarHBondContact CZ-OG 3.4Å; S383-C411 VanDerWaalsContact O-CA 3.3Å; S383-C411 WeakPolarHBondContact O-CA 3.39Å; S383-L412 PolarHBondContact N-O 3.32Å; S383-L412 PolarHBondContact O-N 3.29Å; S383-H671 CarbonylContact C-O 3.52Å; S383-H671 WeakPolarHBondContact CA-O 3.44Å; S383-H671 PolarHBondContact OG-CD2 3.12Å
384	L	93.9	Very high	88.3	Confident	2 Å²	2	34.1 Å²	34.1	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	138.9	-179.1	-154.5	81.1	0	0	0	110.4	V386 I409 H410 C411 L423 L481 V657 L660 H671 V672 T673	L384-V386 HydrophobicContact CD2-CG2 4.41Å; L384-I409 HydrophobicContact CD1-CG2 3.69Å; L384-I409 HydrophobicContact CD2-CG2 3.99Å; L384-I409 HydrophobicContact CG-CG2 3.83Å; L384-H410 CarbonylContact C-O 3.52Å; L384-H410 WeakPolarHBondContact CA-O 3.49Å; L384-C411 HydrophobicContact CD1-CB 4.16Å; L384-L423 HydrophobicContact CD1-CD2 4.23Å; L384-L423 HydrophobicContact CD2-CD1 3.93Å; L384-L423 HydrophobicContact CD2-CD2 4.14Å; L384-L481 HydrophobicContact CD1-CD1 4.27Å; L384-V657 HydrophobicContact CD2-CG2 3.6Å; L384-L660 HydrophobicContact CB-CD2 4.27Å; L384-H671 PolarHBondContact N-O 3.16Å; L384-V672 HydrophobicContact CB-CG2 4.38Å; L384-V672 WeakPolarHBondContact O-CA 3.16Å; L384-T673 PolarHBondContact O-N 3.38Å; L384-T673 PolarHBondContact O-OG1 1.83Å
385	Q	92.9	Very high	89.4	Confident	14 Å²	14	31.6 Å²	31.6	7%	0.065	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	116	171.2	-178.7	172.1	53	0	0	110.1	W54 H410 R478 T673 W675	W54-Q385 HydrophobicContact CH2-CB 3.98Å; W54-Q385 HydrophobicContact CZ2-CB 3.42Å; W54-Q385 VanDerWaalsContact CZ2-CB 3.42Å; W54-Q385 HydrophobicContact CZ2-CG 4.38Å; Q385-H410 HydrophobicContact CB-CB 4.34Å; Q385-H410 PolarHBondContact N-O 2.89Å; Q385-H410 PolarHBondContact O-N 3.18Å; Q385-R478 VanDerWaalsContact OE1-CZ 3.27Å; Q385-T673 WeakPolarHBondContact CA-O 3.35Å; Q385-T673 WeakPolarHBondContact CA-OG1 3.39Å; Q385-T673 WeakPolarHBondContact CB-OG1 3.36Å; Q385-T673 WeakPolarHBondContact CG-OG1 3.3Å; Q385-W675 VanDerWaalsContact NE2-NE1 3.11Å
386	V	93.4	Very high	90	Very high	3 Å²	3	31.2 Å²	31.2	2%	0.018	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	117	171.3	-175.8	0	0	0	0	107.6	L384 T407 I409 T655 T673 S674 W675	L384-V386 HydrophobicContact CD2-CG2 4.41Å; V386-T407 HydrophobicContact CG1-CG2 3.63Å; V386-I409 HydrophobicContact CG2-CG1 4.42Å; V386-T655 HydrophobicContact CG1-CG2 3.91Å; V386-T655 HydrophobicContact CG2-CG2 4.45Å; V386-T673 PolarHBondContact N-O 3.23Å; V386-S674 WeakPolarHBondContact O-CA 3.37Å; V386-W675 PolarHBondContact O-N 3.39Å
387	T	92.6	Very high	90.1	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.006	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	111.2	176	-59.2	0	0	0	0	108.9	H389 Q408 W675	T387-H389 WeakPolarHBondContact CG2-NE2 3.39Å; T387-Q408 PolarHBondContact N-O 3.22Å; T387-Q408 PolarHBondContact O-N 3.1Å; T387-W675 HydrophobicContact CG2-CD2 4.18Å; T387-W675 HydrophobicContact CG2-CH2 3.79Å; T387-W675 HydrophobicContact CG2-CZ2 3.37Å; T387-W675 HydrophobicContact CG2-CZ3 4.34Å; T387-W675 VanDerWaalsContact OG1-CE2 3.32Å; T387-W675 WeakPolarHBondContact OG1-CZ2 3.38Å; T387-W675 PolarHBondContact OG1-NE1 3.15Å
388	D	92.4	Very high	90	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	138.2	164.8	-76.1	-12.1	0	0	0	109.7	T407 V651 V652 S653 W675 T676 R677	D388-T407 WeakPolarHBondContact OD1-CB 3.43Å; D388-T407 WeakPolarHBondContact OD1-CG2 3.11Å; D388-T407 PolarHBondContact OD1-OG1 2.83Å; D388-V651 VanDerWaalsContact OD2-C 3.28Å; D388-V651 WeakPolarHBondContact OD2-CA 3.21Å; D388-V651 VanDerWaalsContact OD2-CG1 3.28Å; D388-V651 WeakPolarHBondContact OD2-CG1 3.17Å; D388-V652 PolarHBondContact OD2-N 3.35Å; D388-S653 WeakPolarHBondContact OD1-CB 3.44Å; D388-S653 PolarHBondContact OD1-OG 2.64Å; D388-S653 WeakPolarHBondContact OD2-CB 3.47Å; D388-S653 PolarHBondContact OD2-N 3.49Å; D388-S653 PolarHBondContact OD2-OG 3.36Å; D388-W675 PolarHBondContact N-O 3.16Å; D388-W675 VanDerWaalsContact N-O 3.1Å; D388-T676 HydrophobicContact CB-CG2 3.94Å; D388-T676 CarbonylContact O-C 3.39Å; D388-T676 WeakPolarHBondContact O-CA 3.3Å; D388-R677 PolarHBondContact O-N 3.04Å
389	H	91.5	Very high	90	Very high	17 Å²	17	25.3 Å²	25.3	8%	0.079	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	129.8	162.2	-55.4	-116.3	0	0	0	108.6	T387 W391 A405 F406 Q408 R677	T387-H389 WeakPolarHBondContact CG2-NE2 3.39Å; H389-W391 HydrophobicContact CB-CE3 4.44Å; H389-W391 HydrophobicContact CB-CH2 3.21Å; H389-W391 HydrophobicContact CB-CZ2 4.14Å; H389-W391 HydrophobicContact CB-CZ3 3.4Å; H389-W391 AromaticContact CG-CH2 4Å; H389-W391 WeakPolarHBondContact O-CZ3 3.35Å; H389-A405 CarbonylContact O-C 3.54Å; H389-A405 WeakPolarHBondContact O-CA 3.47Å; H389-A405 WeakPolarHBondContact O-CB 3.28Å; H389-F406 HydrophobicContact CB-CD2 4.41Å; H389-F406 HydrophobicContact CB-CE2 4.02Å; H389-F406 HydrophobicContact CB-CZ 4.35Å; H389-F406 AromaticContact CD2-CE2 3.64Å; H389-F406 PolarHBondContact N-O 3.35Å; H389-F406 PolarHBondContact O-N 2.94Å; H389-Q408 WeakPolarHBondContact NE2-CG 3.45Å; H389-Q408 PolarHBondContact NE2-NE2 2.88Å; H389-Q408 PolarHBondContact NE2-OE1 2.92Å; H389-R677 WeakPolarHBondContact CA-O 3.35Å; H389-R677 PolarHBondContact CE1-NH1 3.34Å
390	I	90.1	Very high	90.1	Very high	5 Å²	5	25 Å²	25	3%	0.026	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	135.2	178.2	178	167.1	0	0	0	111.1	I392 A405 L489 V652 T676 R677 Y678 H679	I390-I392 HydrophobicContact CD1-CD1 3.85Å; I390-I392 HydrophobicContact CD1-CG1 3.8Å; I390-I392 HydrophobicContact CG1-CD1 4.19Å; I390-I392 HydrophobicContact CG1-CG1 3.71Å; I390-A405 HydrophobicContact CB-CB 3.8Å; I390-A405 HydrophobicContact CD1-CB 4.48Å; I390-A405 HydrophobicContact CG1-CB 4.06Å; I390-L489 HydrophobicContact CD1-CD1 4.23Å; I390-V652 HydrophobicContact CD1-CG1 3.84Å; I390-V652 HydrophobicContact CG2-CG2 4.43Å; I390-T676 HydrophobicContact CG2-CG2 3.84Å; I390-R677 PolarHBondContact N-O 3.22Å; I390-Y678 HydrophobicContact CG2-CD1 3.36Å; I390-Y678 HydrophobicContact CG2-CD2 4.3Å; I390-Y678 HydrophobicContact CG2-CE1 3.58Å; I390-Y678 HydrophobicContact CG2-CE2 4.47Å; I390-Y678 HydrophobicContact CG2-CG 3.74Å; I390-H679 PolarHBondContact O-N 2.97Å
391	W	91.3	Very high	90.2	Very high	11 Å²	11	28.6 Å²	28.6	4%	0.042	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	130.9	169.4	-69.3	-95.8	0	0	0	109.9	F229 V230 P231 H389 R403 A404 F406 H679	F229-W391 HydrophobicContact CE1-CB 4.2Å; F229-W391 AromaticContact CE2-CD1 3.73Å; F229-W391 HydrophobicContact CZ-CB 4.49Å; F229-W391 AromaticContact CZ-CD1 3.63Å; F229-W391 HydrophobicContact CZ-CG 4.47Å; V230-W391 HydrophobicContact CG1-CB 4.39Å; V230-W391 HydrophobicContact CG2-CB 4.35Å; P231-W391 HydrophobicContact CG-CD2 4.03Å; P231-W391 HydrophobicContact CG-CE3 3.65Å; P231-W391 HydrophobicContact CG-CG 4.45Å; P231-W391 HydrophobicContact CG-CZ3 4.16Å; H389-W391 HydrophobicContact CB-CE3 4.44Å; H389-W391 HydrophobicContact CB-CH2 3.21Å; H389-W391 HydrophobicContact CB-CZ2 4.14Å; H389-W391 HydrophobicContact CB-CZ3 3.4Å; H389-W391 AromaticContact CG-CH2 4Å; H389-W391 WeakPolarHBondContact O-CZ3 3.35Å; W391-R403 VanDerWaalsContact O-CA 3.25Å; W391-R403 WeakPolarHBondContact O-CA 3.31Å; W391-A404 PolarHBondContact N-O 2.79Å; W391-A404 PolarHBondContact O-N 2.85Å; W391-F406 HydrophobicContact CE3-CE1 4.36Å; W391-F406 HydrophobicContact CH2-CD1 4.44Å; W391-F406 AromaticContact CH2-CE1 3.58Å; W391-F406 HydrophobicContact CH2-CE1 3.58Å; W391-F406 HydrophobicContact CH2-CE2 4.2Å; W391-F406 AromaticContact CH2-CZ 3.42Å; W391-F406 HydrophobicContact CH2-CZ 3.42Å; W391-F406 VanDerWaalsContact CH2-CZ 3.42Å; W391-F406 AromaticContact CZ3-CD1 3.79Å; W391-F406 HydrophobicContact CZ3-CD1 3.79Å; W391-F406 AromaticContact CZ3-CE1 3.32Å; W391-F406 HydrophobicContact CZ3-CE1 3.32Å; W391-F406 HydrophobicContact CZ3-CE2 4.31Å; W391-F406 HydrophobicContact CZ3-CG 4.46Å; W391-F406 AromaticContact CZ3-CZ 3.62Å; W391-F406 HydrophobicContact CZ3-CZ 3.62Å; W391-H679 VanDerWaalsContact CA-O 3.28Å; W391-H679 WeakPolarHBondContact CA-O 3.33Å; W391-H679 VanDerWaalsContact CD1-CB 3.48Å; W391-H679 AromaticContact CE2-CD2 3.45Å; W391-H679 VanDerWaalsContact CE2-CD2 3.45Å; W391-H679 AromaticContact CE2-CG 3.83Å; W391-H679 HydrophobicContact CG-CB 4.17Å; W391-H679 AromaticContact CZ2-CD2 3.42Å; W391-H679 VanDerWaalsContact CZ2-CD2 3.42Å; W391-H679 WeakPolarHBondContact CZ2-CD2 3.41Å; W391-H679 AromaticContact CZ2-NE2 3.68Å; W391-H679 VanDerWaalsContact NE1-CB 3.32Å; W391-H679 AromaticContact NE1-CD2 3.55Å; W391-H679 AromaticContact NE1-CG 3.41Å
392	I	90.7	Very high	90.1	Very high	7 Å²	7	32 Å²	32	4%	0.036	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	120.7	179.1	-43.5	-179	0	0	0	109.2	I390 L394 V400 I494 Y678 H679 C680 Q681	I390-I392 HydrophobicContact CD1-CD1 3.85Å; I390-I392 HydrophobicContact CD1-CG1 3.8Å; I390-I392 HydrophobicContact CG1-CD1 4.19Å; I390-I392 HydrophobicContact CG1-CG1 3.71Å; I392-L394 HydrophobicContact CG2-CD2 3.61Å; I392-L394 HydrophobicContact CG2-CG 4.22Å; I392-V400 HydrophobicContact CG2-CG1 4.08Å; I392-V400 HydrophobicContact CG2-CG2 4.05Å; I392-I494 HydrophobicContact CD1-CG2 4.19Å; I392-Y678 HydrophobicContact CD1-CD1 4.19Å; I392-Y678 HydrophobicContact CD1-CE1 4.39Å; I392-H679 PolarHBondContact N-O 2.82Å; I392-C680 CarbonylContact O-C 3.52Å; I392-C680 VanDerWaalsContact O-CA 3.29Å; I392-C680 WeakPolarHBondContact O-CA 3.49Å; I392-Q681 PolarHBondContact O-N 2.96Å
393	Q	91.1	Very high	90	Very high	32 Å²	32	36.6 Å²	36.6	15%	0.15	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	127.1	168.6	-165.1	171	16.4	0	0	109.4	F229 V230 M401 E402 F640 Q681	F229-Q393 HydrophobicContact CD1-CB 4.44Å; V230-Q393 HydrophobicContact CG2-CB 4.29Å; Q393-M401 HydrophobicContact CB-CB 4.49Å; Q393-M401 HydrophobicContact CG-SD 4.35Å; Q393-M401 PolarHBondContact O-N 3.47Å; Q393-E402 HydrophobicContact CB-CB 4.45Å; Q393-E402 PolarHBondContact N-O 2.76Å; Q393-E402 PolarHBondContact O-N 3.35Å; Q393-F640 HydrophobicContact CG-CE1 4.12Å; Q393-F640 VanDerWaalsContact NE2-CE1 3.31Å; Q393-Q681 CarbonylContact C-O 3.59Å; Q393-Q681 WeakPolarHBondContact CA-O 3.37Å; Q393-Q681 HydrophobicContact CG-CB 4.47Å
394	L	91.2	Very high	89.9	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	142.6	-178.7	-57.6	-175.7	0	0	0	110.8	I392 T399 V400 I494 Q681 V682 E683	I392-L394 HydrophobicContact CG2-CD2 3.61Å; I392-L394 HydrophobicContact CG2-CG 4.22Å; L394-T399 VanDerWaalsContact CA-O 3.3Å; L394-T399 WeakPolarHBondContact CA-O 3.15Å; L394-V400 HydrophobicContact CD2-CB 4.34Å; L394-V400 HydrophobicContact CD2-CG2 3.81Å; L394-I494 HydrophobicContact CD1-CD1 4.46Å; L394-I494 HydrophobicContact CD2-CD1 3.81Å; L394-Q681 PolarHBondContact N-O 2.87Å; L394-V682 HydrophobicContact CB-CB 4.47Å; L394-V682 HydrophobicContact CB-CG1 4.21Å; L394-V682 HydrophobicContact CB-CG2 4.27Å; L394-V682 HydrophobicContact CD1-CG2 4.11Å; L394-V682 HydrophobicContact CG-CG2 4.48Å; L394-E683 PolarHBondContact O-N 3.09Å
395	D	90.4	Very high	89.7	Confident	35 Å²	35	38 Å²	38	19%	0.187	20%	0.204	C	C	.	.			trans	-76.1	177.3	168.6	87.6	-34.1	0	0	0	111.6	S397 G398 T399 M401	D395-S397 VanDerWaalsContact CG-N 3.26Å; D395-S397 PolarHBondContact O-N 2.82Å; D395-S397 WeakPolarHBondContact OD1-CA 3.4Å; D395-S397 PolarHBondContact OD1-N 2.93Å; D395-S397 PolarHBondContact OD1-OG 2.83Å; D395-S397 WeakPolarHBondContact OD2-CB 3.41Å; D395-S397 PolarHBondContact OD2-N 3.06Å; D395-S397 PolarHBondContact OD2-OG 3Å; D395-G398 PolarHBondContact O-N 2.89Å; D395-G398 VanDerWaalsContact O-N 3.15Å; D395-G398 PolarHBondContact OD1-N 2.86Å; D395-T399 PolarHBondContact N-O 2.93Å; D395-T399 WeakPolarHBondContact OD1-CA 3.49Å; D395-T399 WeakPolarHBondContact OD1-CB 3.43Å; D395-T399 PolarHBondContact OD1-N 3.01Å; D395-M401 HydrophobicContact CB-CG 4.01Å; D395-M401 HydrophobicContact CB-SD 3.97Å
396	K	87.9	Confident	89.6	Confident	117 Å²	117	37.7 Å²	37.7	51%	0.509	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-17.7	176.3	65.1	-160.3	162.5	-140.3	0	114.9	E683	K396-E683 HydrophobicContact CB-CB 4.4Å; K396-E683 HydrophobicContact CB-CG 4.44Å; K396-E683 WeakPolarHBondContact CB-OE2 3.45Å; K396-E683 WeakPolarHBondContact CD-OE2 3.43Å; K396-E683 WeakPolarHBondContact CG-OE2 3.46Å; K396-E683 PolarHBondContact N-OE2 3.49Å; K396-E683 IonicContact NZ-OE1 3.55Å; K396-E683 IonicContact NZ-OE2 3.6Å
397	S	83.8	Confident	89.6	Confident	58 Å²	58	37.6 Å²	37.6	41%	0.406	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-26.1	175.6	74.6	0	0	0	0	112.6	D395 T399 K499	D395-S397 VanDerWaalsContact CG-N 3.26Å; D395-S397 PolarHBondContact O-N 2.82Å; D395-S397 WeakPolarHBondContact OD1-CA 3.4Å; D395-S397 PolarHBondContact OD1-N 2.93Å; D395-S397 PolarHBondContact OD1-OG 2.83Å; D395-S397 WeakPolarHBondContact OD2-CB 3.41Å; D395-S397 PolarHBondContact OD2-N 3.06Å; D395-S397 PolarHBondContact OD2-OG 3Å; S397-T399 PolarHBondContact OG-OG1 2.89Å; S397-K499 WeakPolarHBondContact O-CE 3.49Å; S397-K499 PolarHBondContact O-NZ 2.87Å
398	G	82.7	Confident	89.7	Confident	28 Å²	28	38.1 Å²	38.1	29%	0.289	20%	0.204	S	C	.	.	S	Bend	trans	104.3	12.2	-172.3	0	0	0	0	0	113.8	D395	D395-G398 PolarHBondContact O-N 2.89Å; D395-G398 VanDerWaalsContact O-N 3.15Å; D395-G398 PolarHBondContact OD1-N 2.86Å
399	T	87.1	Confident	89.8	Confident	86 Å²	86	38 Å²	38	53%	0.528	20%	0.204	S	C	.	.			trans	-83.2	140.8	177.5	-54.3	0	0	0	0	110.8	L394 D395 S397 M401	L394-T399 VanDerWaalsContact CA-O 3.3Å; L394-T399 WeakPolarHBondContact CA-O 3.15Å; D395-T399 PolarHBondContact N-O 2.93Å; D395-T399 WeakPolarHBondContact OD1-CA 3.49Å; D395-T399 WeakPolarHBondContact OD1-CB 3.43Å; D395-T399 PolarHBondContact OD1-N 3.01Å; S397-T399 PolarHBondContact OG-OG1 2.89Å; T399-M401 PolarHBondContact O-N 3.2Å
400	V	88.6	Confident	89.9	Confident	61 Å²	61	38.2 Å²	38.2	37%	0.37	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	121.2	176.2	-176.8	0	0	0	0	110.6	I392 L394 R403 I494	I392-V400 HydrophobicContact CG2-CG1 4.08Å; I392-V400 HydrophobicContact CG2-CG2 4.05Å; L394-V400 HydrophobicContact CD2-CB 4.34Å; L394-V400 HydrophobicContact CD2-CG2 3.81Å; V400-R403 HydrophobicContact CG1-CB 4.12Å; V400-R403 HydrophobicContact CG1-CG 4.33Å; V400-I494 HydrophobicContact CG2-CD1 3.73Å
401	M	89.3	Confident	90	Very high	113 Å²	113	38 Å²	38	56%	0.557	20%	0.203	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86	-50.4	170.2	-60.9	176.5	66.3	0	0	110.8	Q393 D395 T399	Q393-M401 HydrophobicContact CB-CB 4.49Å; Q393-M401 HydrophobicContact CG-SD 4.35Å; Q393-M401 PolarHBondContact O-N 3.47Å; D395-M401 HydrophobicContact CB-CG 4.01Å; D395-M401 HydrophobicContact CB-SD 3.97Å; T399-M401 PolarHBondContact O-N 3.2Å
402	E	88.9	Confident	90.1	Very high	75 Å²	75	37.5 Å²	37.5	35%	0.35	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	146	-179	-163.8	-175.7	-176.6	0	0	109.6	V230 Q393	V230-E402 HydrophobicContact CB-CG 4.1Å; V230-E402 HydrophobicContact CG1-CG 4.02Å; V230-E402 HydrophobicContact CG2-CB 4.01Å; V230-E402 HydrophobicContact CG2-CG 4.02Å; Q393-E402 HydrophobicContact CB-CB 4.45Å; Q393-E402 PolarHBondContact N-O 2.76Å; Q393-E402 PolarHBondContact O-N 3.35Å
403	R	88.3	Confident	90.1	Very high	98 Å²	98	37.3 Å²	37.3	37%	0.37	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	142	172.7	65.8	178.8	-175	151.4	6.2	111.6	W391 V400 L489 C491	W391-R403 VanDerWaalsContact O-CA 3.25Å; W391-R403 WeakPolarHBondContact O-CA 3.31Å; V400-R403 HydrophobicContact CG1-CB 4.12Å; V400-R403 HydrophobicContact CG1-CG 4.33Å; R403-L489 PolarHBondContact NH1-O 2.91Å; R403-C491 PolarHBondContact NH1-O 2.8Å
404	A	89.1	Confident	90	Very high	23 Å²	23	35.8 Å²	35.8	19%	0.19	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	148.1	166.6	0	0	0	0	0	110	V230 P231 W391	V230-A404 HydrophobicContact CG1-CB 3.41Å; V230-A404 VanDerWaalsContact CG1-CB 3.41Å; P231-A404 HydrophobicContact CG-CB 4.44Å; W391-A404 PolarHBondContact N-O 2.79Å; W391-A404 PolarHBondContact O-N 2.85Å
405	A	89.9	Confident	89.9	Confident	10 Å²	10	35.9 Å²	35.9	8%	0.083	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	153.5	174.2	0	0	0	0	0	110.8	H389 I390 L489	H389-A405 CarbonylContact O-C 3.54Å; H389-A405 WeakPolarHBondContact O-CA 3.47Å; H389-A405 WeakPolarHBondContact O-CB 3.28Å; I390-A405 HydrophobicContact CB-CB 3.8Å; I390-A405 HydrophobicContact CD1-CB 4.48Å; I390-A405 HydrophobicContact CG1-CB 4.06Å; A405-L489 HydrophobicContact CB-CD1 3.77Å; A405-L489 HydrophobicContact CB-CD2 3.81Å; A405-L489 HydrophobicContact CB-CG 4.47Å
406	F	91.3	Very high	89.6	Confident	8 Å²	8	37.3 Å²	37.3	4%	0.035	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	150.2	167.9	58	-112.2	0	0	0	110.8	P231 L234 R236 H389 W391 Q408 R483 Y484	P231-F406 HydrophobicContact CG-CE1 4.45Å; L234-F406 HydrophobicContact CD2-CB 4Å; R236-F406 HydrophobicContact CG-CE1 4.38Å; H389-F406 HydrophobicContact CB-CD2 4.41Å; H389-F406 HydrophobicContact CB-CE2 4.02Å; H389-F406 HydrophobicContact CB-CZ 4.35Å; H389-F406 AromaticContact CD2-CE2 3.64Å; H389-F406 PolarHBondContact N-O 3.35Å; H389-F406 PolarHBondContact O-N 2.94Å; W391-F406 HydrophobicContact CE3-CE1 4.36Å; W391-F406 HydrophobicContact CH2-CD1 4.44Å; W391-F406 AromaticContact CH2-CE1 3.58Å; W391-F406 HydrophobicContact CH2-CE1 3.58Å; W391-F406 HydrophobicContact CH2-CE2 4.2Å; W391-F406 AromaticContact CH2-CZ 3.42Å; W391-F406 HydrophobicContact CH2-CZ 3.42Å; W391-F406 VanDerWaalsContact CH2-CZ 3.42Å; W391-F406 AromaticContact CZ3-CD1 3.79Å; W391-F406 HydrophobicContact CZ3-CD1 3.79Å; W391-F406 AromaticContact CZ3-CE1 3.32Å; W391-F406 HydrophobicContact CZ3-CE1 3.32Å; W391-F406 HydrophobicContact CZ3-CE2 4.31Å; W391-F406 HydrophobicContact CZ3-CG 4.46Å; W391-F406 AromaticContact CZ3-CZ 3.62Å; W391-F406 HydrophobicContact CZ3-CZ 3.62Å; F406-Q408 HydrophobicContact CD2-CG 4.15Å; F406-Q408 HydrophobicContact CE2-CG 4.1Å; F406-R483 HydrophobicContact CD2-CG 4.09Å; F406-Y484 CarbonylContact C-O 3.58Å; F406-Y484 VanDerWaalsContact CA-O 3.23Å; F406-Y484 WeakPolarHBondContact CA-O 3.39Å; F406-Y484 VanDerWaalsContact CB-O 3.31Å; F406-Y484 WeakPolarHBondContact CB-O 3.37Å
407	T	93.6	Very high	88.8	Confident	1 Å²	1	33.5 Å²	33.5	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	128	177.4	-55.6	0	0	0	0	109.2	V386 D388 I409 R483 Y484 S653	V386-T407 HydrophobicContact CG1-CG2 3.63Å; D388-T407 WeakPolarHBondContact OD1-CB 3.43Å; D388-T407 WeakPolarHBondContact OD1-CG2 3.11Å; D388-T407 PolarHBondContact OD1-OG1 2.83Å; T407-I409 HydrophobicContact CG2-CG1 4.18Å; T407-R483 VanDerWaalsContact O-CA 3.3Å; T407-R483 WeakPolarHBondContact O-CA 3.37Å; T407-Y484 HydrophobicContact CG2-CE1 3.82Å; T407-Y484 PolarHBondContact N-O 2.77Å; T407-Y484 PolarHBondContact O-N 3.21Å; T407-S653 WeakPolarHBondContact OG1-CB 3.34Å; T407-S653 PolarHBondContact OG1-OG 2.72Å
408	Q	94	Very high	88	Confident	12 Å²	12	39.5 Å²	39.5	6%	0.056	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	130.1	168	-57.1	-178	-46.7	0	0	108.7	T387 H389 F406 E480 R483	T387-Q408 PolarHBondContact N-O 3.22Å; T387-Q408 PolarHBondContact O-N 3.1Å; H389-Q408 WeakPolarHBondContact NE2-CG 3.45Å; H389-Q408 PolarHBondContact NE2-NE2 2.88Å; H389-Q408 PolarHBondContact NE2-OE1 2.92Å; F406-Q408 HydrophobicContact CD2-CG 4.15Å; F406-Q408 HydrophobicContact CE2-CG 4.1Å; Q408-E480 VanDerWaalsContact CG-OE1 3.25Å; Q408-E480 WeakPolarHBondContact CG-OE1 3.49Å; Q408-E480 PolarHBondContact NE2-OE1 3.14Å; Q408-R483 HydrophobicContact CG-CG 4.11Å
409	I	95.1	Very high	87.3	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	117.1	172.5	-59.7	-174.8	0	0	0	108.8	L384 V386 T407 L423 L425 E480 L481 M482 Y484	L384-I409 HydrophobicContact CD1-CG2 3.69Å; L384-I409 HydrophobicContact CD2-CG2 3.99Å; L384-I409 HydrophobicContact CG-CG2 3.83Å; V386-I409 HydrophobicContact CG2-CG1 4.42Å; T407-I409 HydrophobicContact CG2-CG1 4.18Å; I409-L423 HydrophobicContact CD1-CD2 4.44Å; I409-L423 HydrophobicContact CG2-CD2 4.13Å; I409-L425 HydrophobicContact CD1-CD1 3.64Å; I409-L425 HydrophobicContact CD1-CD2 4.04Å; I409-L425 HydrophobicContact CD1-CG 4.47Å; I409-E480 CarbonylContact O-C 3.51Å; I409-L481 PolarHBondContact O-N 2.98Å; I409-M482 HydrophobicContact CB-CG 4.06Å; I409-M482 HydrophobicContact CD1-CG 4.22Å; I409-M482 HydrophobicContact CD1-SD 4.09Å; I409-M482 HydrophobicContact CG1-CG 4.26Å; I409-M482 PolarHBondContact N-O 3.12Å; I409-Y484 HydrophobicContact CD1-CE1 3.89Å; I409-Y484 HydrophobicContact CG1-CE1 4.16Å
410	H	93.5	Very high	87.2	Confident	20 Å²	20	38 Å²	38	9%	0.093	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	149.2	175.7	-66.8	86	0	0	0	111.9	W54 L384 Q385 R478 V479	W54-H410 HydrophobicContact CH2-CB 4.48Å; L384-H410 CarbonylContact C-O 3.52Å; L384-H410 WeakPolarHBondContact CA-O 3.49Å; Q385-H410 HydrophobicContact CB-CB 4.34Å; Q385-H410 PolarHBondContact N-O 2.89Å; Q385-H410 PolarHBondContact O-N 3.18Å; H410-R478 PolarHBondContact CD2-NE 2.82Å; H410-R478 VanDerWaalsContact CD2-NE 3.35Å; H410-R478 PolarHBondContact CD2-NH2 2.83Å; H410-R478 PolarHBondContact CE1-NH2 3.17Å; H410-R478 PolarHBondContact ND1-NH2 2.95Å; H410-R478 PolarHBondContact NE2-NH2 2.84Å; H410-V479 CarbonylContact C-O 3.57Å; H410-V479 WeakPolarHBondContact CA-O 3.4Å
411	C	93.3	Very high	87.4	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.007	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	145.5	175.5	-174.4	0	0	0	0	111.7	S383 L384 R478 V479 L481	S383-C411 VanDerWaalsContact O-CA 3.3Å; S383-C411 WeakPolarHBondContact O-CA 3.39Å; L384-C411 HydrophobicContact CD1-CB 4.16Å; C411-R478 CarbonylContact O-C 3.57Å; C411-R478 VanDerWaalsContact O-CA 3.3Å; C411-R478 WeakPolarHBondContact O-CA 3.47Å; C411-V479 PolarHBondContact N-O 2.81Å; C411-V479 PolarHBondContact O-N 3.09Å; C411-L481 HydrophobicContact CB-CD1 3.54Å; C411-L481 HydrophobicContact CB-CD2 4.07Å; C411-L481 HydrophobicContact CB-CG 3.66Å
412	L	92	Very high	87.7	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	138.3	163.1	-179.9	66.8	0	0	0	107.1	W54 F56 Y321 S383 F414 R478	W54-L412 HydrophobicContact CE3-CB 3.51Å; W54-L412 HydrophobicContact CE3-CD2 3.76Å; W54-L412 HydrophobicContact CE3-CG 4.31Å; W54-L412 HydrophobicContact CH2-CB 4.3Å; W54-L412 HydrophobicContact CZ3-CB 3.28Å; W54-L412 HydrophobicContact CZ3-CD2 4.41Å; W54-L412 HydrophobicContact CZ3-CG 4.49Å; F56-L412 HydrophobicContact CE2-CD2 4.33Å; Y321-L412 HydrophobicContact CD1-CD1 4.39Å; Y321-L412 HydrophobicContact CD1-CD2 3.6Å; Y321-L412 HydrophobicContact CD2-CD1 3.93Å; Y321-L412 HydrophobicContact CE1-CD1 4.43Å; Y321-L412 HydrophobicContact CE1-CD2 3.44Å; Y321-L412 VanDerWaalsContact CE1-CD2 3.44Å; Y321-L412 HydrophobicContact CE2-CD1 3.99Å; Y321-L412 HydrophobicContact CE2-CD2 4.44Å; Y321-L412 HydrophobicContact CG-CD1 4.14Å; Y321-L412 HydrophobicContact CG-CD2 4.16Å; S383-L412 PolarHBondContact N-O 3.32Å; S383-L412 PolarHBondContact O-N 3.29Å; L412-F414 HydrophobicContact CD1-CZ 4.3Å; L412-F414 HydrophobicContact CD2-CE2 3.52Å; L412-F414 HydrophobicContact CD2-CZ 3.65Å; L412-F414 HydrophobicContact CG-CD2 4.45Å; L412-F414 HydrophobicContact CG-CE2 3.77Å; L412-F414 HydrophobicContact CG-CZ 3.99Å; L412-R478 HydrophobicContact CD1-CB 4.33Å
413	A	90.3	Very high	88	Confident	2 Å²	2	28.9 Å²	28.9	2%	0.017	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	136.7	-177.4	0	0	0	0	0	110.8	L382 L415 P473 A476	L382-A413 HydrophobicContact CD1-CB 3.93Å; A413-L415 HydrophobicContact CB-CD1 3.85Å; A413-L415 HydrophobicContact CB-CG 4.02Å; A413-P473 HydrophobicContact CB-CB 3.73Å; A413-P473 HydrophobicContact CB-CG 3.71Å; A413-A476 PolarHBondContact O-N 2.93Å
414	F	90.4	Very high	88.2	Confident	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	94.4	171.1	-59	-79.5	0	0	0	106.5	Y321 H335 Y377 Q380 E381 L412 A476	Y321-F414 HydrophobicContact CD1-CZ 4.16Å; Y321-F414 HydrophobicContact CG-CZ 4.21Å; H335-F414 HydrophobicContact CB-CD2 4.39Å; H335-F414 HydrophobicContact CB-CE1 4.38Å; H335-F414 HydrophobicContact CB-CE2 3.69Å; H335-F414 HydrophobicContact CB-CZ 3.68Å; H335-F414 AromaticContact CD2-CD1 3.68Å; H335-F414 AromaticContact CD2-CE1 3.65Å; H335-F414 AromaticContact CD2-CG 3.86Å; H335-F414 AromaticContact CD2-CZ 3.81Å; H335-F414 AromaticContact CE1-CD2 3.88Å; H335-F414 AromaticContact CE1-CG 3.81Å; H335-F414 AromaticContact CG-CD2 3.79Å; H335-F414 AromaticContact CG-CE2 3.57Å; H335-F414 AromaticContact CG-CZ 3.69Å; H335-F414 AromaticContact ND1-CD2 3.67Å; H335-F414 AromaticContact ND1-CE2 3.86Å; H335-F414 AromaticContact NE2-CD1 3.79Å; H335-F414 AromaticContact NE2-CG 3.69Å; Y377-F414 HydrophobicContact CD1-CB 4.05Å; Y377-F414 HydrophobicContact CD1-CD1 4.07Å; Y377-F414 HydrophobicContact CD1-CG 4.47Å; Y377-F414 HydrophobicContact CD2-CB 4.06Å; Y377-F414 HydrophobicContact CE1-CB 4.18Å; Y377-F414 AromaticContact CE1-CD1 3.53Å; Y377-F414 HydrophobicContact CE1-CD1 3.53Å; Y377-F414 HydrophobicContact CE1-CE1 4.39Å; Y377-F414 HydrophobicContact CE1-CG 4.3Å; Y377-F414 HydrophobicContact CE2-CB 4.21Å; Y377-F414 HydrophobicContact CG-CB 4Å; Y377-F414 AromaticContact CZ-CD1 3.84Å; Q380-F414 VanDerWaalsContact CA-O 3.3Å; Q380-F414 WeakPolarHBondContact CA-O 3.33Å; E381-F414 HydrophobicContact CB-CD2 4.17Å; E381-F414 PolarHBondContact N-O 3.2Å; E381-F414 PolarHBondContact O-N 2.85Å; L412-F414 HydrophobicContact CD1-CZ 4.3Å; L412-F414 HydrophobicContact CD2-CE2 3.52Å; L412-F414 HydrophobicContact CD2-CZ 3.65Å; L412-F414 HydrophobicContact CG-CD2 4.45Å; L412-F414 HydrophobicContact CG-CE2 3.77Å; L412-F414 HydrophobicContact CG-CZ 3.99Å; F414-A476 HydrophobicContact CD1-CB 3.88Å; F414-A476 HydrophobicContact CE1-CB 3.65Å
415	L	88.5	Confident	88.5	Confident	4 Å²	4	23.3 Å²	23.3	2%	0.021	12%	0.124	C	C	.	.			trans	-135.4	117.6	-164	-64.4	176.8	0	0	0	112.7	Q380 A413 P473 T662 P668	Q380-L415 HydrophobicContact CB-CD2 4.49Å; A413-L415 HydrophobicContact CB-CD1 3.85Å; A413-L415 HydrophobicContact CB-CG 4.02Å; L415-P473 HydrophobicContact CD1-CG 3.98Å; L415-T662 HydrophobicContact CD1-CG2 4.1Å; L415-T662 HydrophobicContact CD2-CG2 4.14Å; L415-P668 HydrophobicContact CD2-CB 3.8Å; L415-P668 HydrophobicContact CD2-CG 3.92Å
416	N	84.6	Confident	88.6	Confident	65 Å²	65	22.8 Å²	22.8	35%	0.348	12%	0.12	S	C	.	.	S	Bend	trans	-72.1	-33	-175	-66.2	-15.2	0	0	0	113.3	Y377 Q380	Y377-N416 WeakPolarHBondContact CD2-OD1 3.48Å; Y377-N416 PolarHBondContact N-OD1 3.46Å; Y377-N416 PolarHBondContact O-ND2 3.27Å; Y377-N416 PolarHBondContact O-OD1 3.47Å; Q380-N416 HydrophobicContact CG-CB 4.36Å
417	A	70.9	Confident	88.6	Confident	37 Å²	37	22.5 Å²	22.5	31%	0.306	12%	0.119	S	C	.	.	S	Bend	trans	-102.4	141.1	-174	0	0	0	0	0	112	R374 G419	R374-A417 PolarHBondContact NH1-O 3.43Å; A417-G419 PolarHBondContact O-N 2.85Å; A417-G419 VanDerWaalsContact O-N 3.08Å
418	Q	67.3	Low	88.5	Confident	184 Å²	184	25.2 Å²	25.2	86%	0.86	13%	0.133	S	C	*	.			trans	-75.3	95.8	169.5	-174.9	174.2	5.8	0	0	109.3
419	G	68	Low	88.2	Confident	12 Å²	12	25.3 Å²	25.3	12%	0.124	14%	0.138	C	C	.	.			trans	-148.8	149.6	169.5	0	0	0	0	0	109.2	A417	A417-G419 PolarHBondContact O-N 2.85Å; A417-G419 VanDerWaalsContact O-N 3.08Å
420	D	85.4	Confident	87.9	Confident	71 Å²	71	25.3 Å²	25.3	38%	0.38	14%	0.138	S	C	.	.			trans	-70.8	150.7	177.9	-62	-55.1	0	0	0	111.2	S472 T662 V663	D420-S472 WeakPolarHBondContact OD1-CB 3.22Å; D420-S472 PolarHBondContact OD1-OG 2.84Å; D420-T662 WeakPolarHBondContact O-CA 3.26Å; D420-V663 HydrophobicContact CB-CG2 4.37Å; D420-V663 WeakPolarHBondContact O-CG2 3.05Å; D420-V663 PolarHBondContact O-N 2.87Å
421	C	92.6	Very high	87.7	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	151	168	-68.3	0	0	0	0	109.9	K470 F471 P473 G661	C421-K470 CarbonylContact O-C 3.48Å; C421-K470 VanDerWaalsContact O-CA 3.3Å; C421-K470 WeakPolarHBondContact O-CA 3.21Å; C421-F471 HydrophobicContact CB-CD1 4.09Å; C421-F471 HydrophobicContact CB-CD2 4.03Å; C421-F471 HydrophobicContact CB-CE1 3.64Å; C421-F471 HydrophobicContact CB-CE2 3.58Å; C421-F471 HydrophobicContact CB-CG 4.27Å; C421-F471 HydrophobicContact CB-CZ 3.36Å; C421-F471 PolarHBondContact N-O 3.49Å; C421-F471 PolarHBondContact O-N 3.21Å; C421-P473 HydrophobicContact CB-CG 4.41Å; C421-G661 CarbonylContact C-O 3.53Å; C421-G661 WeakPolarHBondContact CA-O 3.3Å
422	F	94.1	Very high	87.4	Confident	58 Å²	58	33.8 Å²	33.8	25%	0.254	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	144.4	170	66.7	-91.1	0	0	0	110.2	I469 K470 L660 G661	F422-I469 CarbonylContact C-O 3.57Å; F422-I469 WeakPolarHBondContact CA-O 3.4Å; F422-K470 HydrophobicContact CB-CG 4.16Å; F422-L660 WeakPolarHBondContact O-CA 3.45Å; F422-G661 WeakPolarHBondContact CD1-O 3.27Å; F422-G661 PolarHBondContact N-O 2.97Å; F422-G661 PolarHBondContact O-N 3.12Å
423	L	95.1	Very high	87.1	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	126.4	174.4	167.5	64.2	0	0	0	108.6	L384 I409 L425 I469 F471 V657 L660	L384-L423 HydrophobicContact CD1-CD2 4.23Å; L384-L423 HydrophobicContact CD2-CD1 3.93Å; L384-L423 HydrophobicContact CD2-CD2 4.14Å; I409-L423 HydrophobicContact CD1-CD2 4.44Å; I409-L423 HydrophobicContact CG2-CD2 4.13Å; L423-L425 HydrophobicContact CD1-CD2 3.9Å; L423-L425 HydrophobicContact CD2-CD2 4.32Å; L423-L425 HydrophobicContact CG-CD2 4.14Å; L423-L425 HydrophobicContact CG-CG 4.41Å; L423-I469 HydrophobicContact CB-CB 4.13Å; L423-I469 HydrophobicContact CD2-CD1 3.97Å; L423-I469 HydrophobicContact CG-CD1 4.01Å; L423-I469 PolarHBondContact N-O 2.59Å; L423-I469 WeakPolarHBondContact O-CB 3.49Å; L423-I469 PolarHBondContact O-N 2.94Å; L423-F471 HydrophobicContact CB-CE1 3.96Å; L423-V657 HydrophobicContact CD1-CB 4.49Å; L423-V657 HydrophobicContact CD1-CG1 3.8Å; L423-V657 HydrophobicContact CD1-CG2 4.13Å; L423-L660 HydrophobicContact CB-CD1 4.3Å; L423-L660 HydrophobicContact CD1-CD1 4.34Å
424	A	93.9	Very high	86.9	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131.9	170.7	0	0	0	0	0	109.4	L430 L468 K658 S659	A424-L430 HydrophobicContact CB-CD2 3.83Å; A424-L468 HydrophobicContact CB-CD2 3.7Å; A424-K658 HydrophobicContact CB-CB 4.26Å; A424-K658 PolarHBondContact O-N 2.68Å; A424-S659 VanDerWaalsContact CB-OG 3.25Å; A424-S659 WeakPolarHBondContact CB-OG 3.26Å; A424-S659 PolarHBondContact N-O 2.69Å; A424-S659 PolarHBondContact O-N 2.82Å
425	L	93.9	Very high	86.4	Confident	3 Å²	3	42.8 Å²	42.8	2%	0.016	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	164.4	175.7	-58.4	176.2	0	0	0	109.9	I409 L423 D427 L430 M447 I449 I469 M482 Y484 T655 R656 V657	I409-L425 HydrophobicContact CD1-CD1 3.64Å; I409-L425 HydrophobicContact CD1-CD2 4.04Å; I409-L425 HydrophobicContact CD1-CG 4.47Å; L423-L425 HydrophobicContact CD1-CD2 3.9Å; L423-L425 HydrophobicContact CD2-CD2 4.32Å; L423-L425 HydrophobicContact CG-CD2 4.14Å; L423-L425 HydrophobicContact CG-CG 4.41Å; L425-D427 PolarHBondContact O-N 2.72Å; L425-L430 WeakPolarHBondContact O-CD2 3.42Å; L425-M447 HydrophobicContact CB-CE 3.9Å; L425-M447 HydrophobicContact CD1-CE 4.26Å; L425-I449 HydrophobicContact CD1-CD1 3.99Å; L425-I469 HydrophobicContact CD1-CD1 3.7Å; L425-I469 HydrophobicContact CG-CD1 3.96Å; L425-M482 HydrophobicContact CD1-SD 4.35Å; L425-Y484 HydrophobicContact CD1-CE1 4.48Å; L425-T655 HydrophobicContact CD2-CG2 4.15Å; L425-R656 WeakPolarHBondContact CA-O 3.34Å; L425-V657 HydrophobicContact CD2-CG2 4.34Å
426	N	91.9	Very high	86	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.259	C	S	.	.	S	Bend	trans	-72.3	45.5	169.4	65.1	-31.5	0	0	0	113.2	L445 W446 M447 Q654 T655 R656 K658	N426-L445 PolarHBondContact ND2-O 3.22Å; N426-W446 HydrophobicContact CB-CD2 4.45Å; N426-W446 HydrophobicContact CB-CE3 4.1Å; N426-W446 HydrophobicContact CB-CZ3 4.43Å; N426-M447 PolarHBondContact O-N 2.79Å; N426-Q654 PolarHBondContact ND2-O 3.3Å; N426-T655 WeakPolarHBondContact OD1-CA 3.45Å; N426-R656 HydrophobicContact CB-CB 4.26Å; N426-R656 PolarHBondContact N-O 3.43Å; N426-R656 PolarHBondContact OD1-N 2.93Å; N426-R656 PolarHBondContact OD1-O 2.84Å; N426-K658 HydrophobicContact CB-CG 4.17Å
427	D	92.5	Very high	85.7	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.011	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-79.9	130.2	175.6	172.1	48.9	0	0	0	110.9	L425 G429 L430 L431 W446 M447 I449 R467	L425-D427 PolarHBondContact O-N 2.72Å; D427-G429 PolarHBondContact O-N 2.92Å; D427-G429 PolarHBondContact OD1-N 2.94Å; D427-G429 WeakPolarHBondContact OD2-CA 3.47Å; D427-G429 PolarHBondContact OD2-N 3.23Å; D427-L430 HydrophobicContact CB-CB 4.47Å; D427-L430 WeakPolarHBondContact O-CA 3.46Å; D427-L430 WeakPolarHBondContact O-CB 3.3Å; D427-L430 PolarHBondContact O-N 3.07Å; D427-L430 PolarHBondContact OD2-N 3.11Å; D427-L431 PolarHBondContact O-N 3.38Å; D427-W446 WeakPolarHBondContact O-CZ3 3.36Å; D427-M447 CarbonylContact C-O 3.59Å; D427-M447 VanDerWaalsContact CA-O 3.28Å; D427-M447 WeakPolarHBondContact CA-O 3.28Å; D427-M447 HydrophobicContact CB-CE 4.4Å; D427-I449 HydrophobicContact CB-CD1 3.76Å; D427-I449 HydrophobicContact CB-CG1 3.97Å; D427-I449 PolarHBondContact OD1-N 2.83Å; D427-I449 VanDerWaalsContact OD1-N 3.12Å; D427-R467 VanDerWaalsContact CG-NH2 3.25Å; D427-R467 IonicContact OD1-CZ 3.74Å; D427-R467 IonicContact OD1-NH2 2.64Å; D427-R467 PolarHBondContact OD1-NH2 3.48Å; D427-R467 IonicContact OD2-CZ 3.61Å; D427-R467 IonicContact OD2-NE 3.15Å; D427-R467 PolarHBondContact OD2-NE 2.84Å; D427-R467 IonicContact OD2-NH2 3.99Å; D427-R467 PolarHBondContact OD2-NH2 3.23Å
428	L	90.6	Very high	85.6	Confident	57 Å²	57	46.1 Å²	46.1	30%	0.298	26%	0.258	S	S	.	.	H	α-helix	trans	-56.2	-32.7	175.7	-76.3	174.8	0	0	0	112	L430 L431 H432 W446 M447 E448	L428-L430 VanDerWaalsContact C-N 3.3Å; L428-L430 PolarHBondContact O-N 2.83Å; L428-L431 HydrophobicContact CD2-CD2 4.22Å; L428-L431 PolarHBondContact O-N 3.44Å; L428-H432 PolarHBondContact O-CD2 3.33Å; L428-H432 PolarHBondContact O-N 2.81Å; L428-W446 HydrophobicContact CD2-CB 3.52Å; L428-W446 HydrophobicContact CD2-CG 4.14Å; L428-W446 HydrophobicContact CG-CB 3.95Å; L428-M447 PolarHBondContact N-O 3.21Å; L428-E448 HydrophobicContact CD1-CB 4.36Å
429	G	88.6	Confident	85.4	Confident	15 Å²	15	46.2 Å²	46.2	16%	0.155	25%	0.251	C	S	.	.	H	α-helix	trans	-60	-37.4	172.7	0	0	0	0	0	113.5	D427 S433	D427-G429 PolarHBondContact O-N 2.92Å; D427-G429 PolarHBondContact OD1-N 2.94Å; D427-G429 WeakPolarHBondContact OD2-CA 3.47Å; D427-G429 PolarHBondContact OD2-N 3.23Å; G429-S433 PolarHBondContact O-N 3.25Å; G429-S433 VanDerWaalsContact O-N 3.1Å
430	L	89.5	Confident	85	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-66.3	-46.5	173.4	-178.1	68	0	0	0	110.8	A424 L425 D427 L428 H432 S433 N434 Y437 R467 L468	A424-L430 HydrophobicContact CB-CD2 3.83Å; L425-L430 WeakPolarHBondContact O-CD2 3.42Å; D427-L430 HydrophobicContact CB-CB 4.47Å; D427-L430 WeakPolarHBondContact O-CA 3.46Å; D427-L430 WeakPolarHBondContact O-CB 3.3Å; D427-L430 PolarHBondContact O-N 3.07Å; D427-L430 PolarHBondContact OD2-N 3.11Å; L428-L430 VanDerWaalsContact C-N 3.3Å; L428-L430 PolarHBondContact O-N 2.83Å; L430-H432 VanDerWaalsContact C-N 3.31Å; L430-H432 PolarHBondContact O-N 2.92Å; L430-S433 PolarHBondContact O-N 2.86Å; L430-S433 PolarHBondContact O-OG 2.91Å; L430-N434 PolarHBondContact O-N 3.45Å; L430-Y437 HydrophobicContact CD1-CD2 4.14Å; L430-Y437 HydrophobicContact CD1-CE2 4.02Å; L430-Y437 HydrophobicContact CD2-CD2 3.98Å; L430-Y437 HydrophobicContact CD2-CE2 4.25Å; L430-Y437 HydrophobicContact CD2-CG 4.15Å; L430-Y437 HydrophobicContact CG-CD2 3.92Å; L430-Y437 HydrophobicContact CG-CE2 4.27Å; L430-Y437 HydrophobicContact CG-CG 4.48Å; L430-R467 HydrophobicContact CB-CB 4.15Å; L430-R467 HydrophobicContact CD1-CB 4.36Å; L430-L468 HydrophobicContact CD1-CD2 3.68Å; L430-L468 HydrophobicContact CD1-CG 4.14Å; L430-L468 HydrophobicContact CD2-CD2 4.45Å
431	L	88.3	Confident	83.5	Confident	45 Å²	45	57.2 Å²	57.2	24%	0.236	30%	0.297	C	S	.	.	H	α-helix	trans	-57.9	-42	178.1	-178.5	61.6	0	0	0	112.2	D427 L428 N434 S435 W446	D427-L431 PolarHBondContact O-N 3.38Å; L428-L431 HydrophobicContact CD2-CD2 4.22Å; L428-L431 PolarHBondContact O-N 3.44Å; L431-N434 CarbonylContact O-C 3.44Å; L431-S435 PolarHBondContact O-N 2.99Å; L431-W446 HydrophobicContact CB-CD2 4.34Å; L431-W446 HydrophobicContact CB-CE3 3.92Å; L431-W446 HydrophobicContact CB-CH2 3.95Å; L431-W446 HydrophobicContact CB-CZ2 4.35Å; L431-W446 HydrophobicContact CB-CZ3 3.73Å; L431-W446 HydrophobicContact CD1-CH2 4.11Å; L431-W446 HydrophobicContact CD1-CZ2 3.92Å; L431-W446 HydrophobicContact CD2-CD2 4.02Å; L431-W446 HydrophobicContact CD2-CE3 4.43Å; L431-W446 HydrophobicContact CD2-CG 4.33Å; L431-W446 HydrophobicContact CD2-CZ2 4.33Å; L431-W446 HydrophobicContact CG-CH2 4.48Å; L431-W446 HydrophobicContact CG-CZ2 4.43Å
432	H	87.1	Confident	81.6	Confident	154 Å²	154	66.1 Å²	66.1	71%	0.713	35%	0.345	S	S	*	.	H	α-helix	trans	-67.9	-31.4	175.3	-67.9	-50.4	0	0	0	113.4	L428 L430	L428-H432 PolarHBondContact O-CD2 3.33Å; L428-H432 PolarHBondContact O-N 2.81Å; L430-H432 VanDerWaalsContact C-N 3.31Å; L430-H432 PolarHBondContact O-N 2.92Å
433	S	86.4	Confident	79.9	Confident	52 Å²	52	68 Å²	68	36%	0.364	37%	0.366	S	S	.	.	H	α-helix	trans	-77.2	-34.3	176.3	76.2	0	0	0	0	113.4	G429 L430 S466	G429-S433 PolarHBondContact O-N 3.25Å; G429-S433 VanDerWaalsContact O-N 3.1Å; L430-S433 PolarHBondContact O-N 2.86Å; L430-S433 PolarHBondContact O-OG 2.91Å; S433-S466 PolarHBondContact OG-O 3.39Å
434	N	84.5	Confident	78.7	Confident	66 Å²	66	70.2 Å²	70.2	35%	0.353	38%	0.377	S	S	.	.			trans	-148.7	90.9	-169.6	-76.2	-80.7	0	0	0	109.6	L430 L431 S436 Y437	L430-N434 PolarHBondContact O-N 3.45Å; L431-N434 CarbonylContact O-C 3.44Å; N434-S436 PolarHBondContact O-N 3.16Å; N434-Y437 HydrophobicContact CB-CD2 3.75Å; N434-Y437 HydrophobicContact CB-CE2 3.92Å; N434-Y437 PolarHBondContact O-N 3.04Å
435	S	80.9	Confident	78.1	Confident	73 Å²	73	74.4 Å²	74.4	51%	0.51	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-61.4	-16.8	-180	59.8	0	0	0	0	113.9	L431 Y437 G438 Y439	L431-S435 PolarHBondContact O-N 2.99Å; S435-Y437 PolarHBondContact O-N 3.3Å; S435-Y437 VanDerWaalsContact O-N 3.16Å; S435-G438 PolarHBondContact O-N 3.46Å; S435-Y439 WeakPolarHBondContact O-CD2 3.07Å; S435-Y439 WeakPolarHBondContact O-CE2 3.49Å
436	S	80.9	Confident	77.7	Confident	74 Å²	74	76.8 Å²	76.8	52%	0.517	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-54.1	-28.5	174.4	50.1	0	0	0	0	114	N434 G438	N434-S436 PolarHBondContact O-N 3.16Å; S436-G438 VanDerWaalsContact C-N 3.27Å; S436-G438 PolarHBondContact O-N 3.09Å
437	Y	76.6	Confident	77.7	Confident	69 Å²	69	77.1 Å²	77.1	27%	0.271	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-79.4	-4.4	176.8	-66.7	-75.1	0	0	0	114.5	L430 N434 S435 W446 K658	L430-Y437 HydrophobicContact CD1-CD2 4.14Å; L430-Y437 HydrophobicContact CD1-CE2 4.02Å; L430-Y437 HydrophobicContact CD2-CD2 3.98Å; L430-Y437 HydrophobicContact CD2-CE2 4.25Å; L430-Y437 HydrophobicContact CD2-CG 4.15Å; L430-Y437 HydrophobicContact CG-CD2 3.92Å; L430-Y437 HydrophobicContact CG-CE2 4.27Å; L430-Y437 HydrophobicContact CG-CG 4.48Å; N434-Y437 HydrophobicContact CB-CD2 3.75Å; N434-Y437 HydrophobicContact CB-CE2 3.92Å; N434-Y437 PolarHBondContact O-N 3.04Å; S435-Y437 PolarHBondContact O-N 3.3Å; S435-Y437 VanDerWaalsContact O-N 3.16Å; Y437-W446 WeakPolarHBondContact O-CZ2 3.29Å; Y437-K658 PolarHBondContact O-NZ 3.18Å
438	G	68.8	Low	77.6	Confident	34 Å²	34	81.6 Å²	81.6	35%	0.351	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-108	12.5	-175.7	0	0	0	0	0	116	S435 S436	S435-G438 PolarHBondContact O-N 3.46Å; S436-G438 VanDerWaalsContact C-N 3.27Å; S436-G438 PolarHBondContact O-N 3.09Å
439	Y	64.4	Low	77.8	Confident	185 Å²	185	79.3 Å²	79.3	73%	0.725	42%	0.418	S	S	*	.			trans	-96.8	-3.1	177.4	-64.1	-71.7	0	0	0	114.4	S435	S435-Y439 WeakPolarHBondContact O-CD2 3.07Å; S435-Y439 WeakPolarHBondContact O-CE2 3.49Å
440	E	59.5	Low	77.8	Confident	151 Å²	151	80.9 Å²	80.9	71%	0.706	43%	0.425	S	S	*	.	S	Bend	trans	-76.4	157.9	166.8	-61.8	-65.6	143.1	0	0	110.1
441	E	54	Low	77.8	Confident	163 Å²	163	84.3 Å²	84.3	76%	0.762	44%	0.444	S	S	*	.			trans	-38.4	142.4	-162.3	-60.8	-173.5	134.7	0	0	117.9	S443 D444	E441-S443 PolarHBondContact O-N 3.4Å; E441-D444 PolarHBondContact O-N 2.88Å; E441-D444 VanDerWaalsContact O-N 3.12Å
442	D	52.1	Low	78	Confident	187 Å²	187	85.3 Å²	85.3	100%	1	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	0	177.6	-71.9	-45.6	0	0	0	116.5
443	S	59.3	Low	78.3	Confident	99 Å²	99	81 Å²	81	69%	0.692	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-12.4	-179.2	-165	0	0	0	0	113.3	E441 L445	E441-S443 PolarHBondContact O-N 3.4Å; S443-L445 PolarHBondContact O-N 2.9Å
444	D	69	Low	78.7	Confident	45 Å²	45	80 Å²	80	24%	0.241	41%	0.414	C	S	.	.			trans	-78.6	110.5	-167.8	-138.4	14.5	0	0	0	112.3	E441 W446 R656 K658	E441-D444 PolarHBondContact O-N 2.88Å; E441-D444 VanDerWaalsContact O-N 3.12Å; D444-W446 PolarHBondContact O-NE1 2.7Å; D444-R656 IonicContact OD1-CZ 3.16Å; D444-R656 IonicContact OD1-NH1 2.63Å; D444-R656 PolarHBondContact OD1-NH1 3.18Å; D444-K658 WeakPolarHBondContact OD2-CE 3.47Å; D444-K658 IonicContact OD2-NZ 2.78Å; D444-K658 PolarHBondContact OD2-NZ 2.81Å
445	L	80.5	Confident	79.2	Confident	89 Å²	89	77.3 Å²	77.3	47%	0.466	40%	0.399	S	S	.	.			trans	-69.5	130	179.4	-70.5	158.9	0	0	0	110.8	N426 S443	N426-L445 PolarHBondContact ND2-O 3.22Å; S443-L445 PolarHBondContact O-N 2.9Å
446	W	86.8	Confident	79.6	Confident	53 Å²	53	80.4 Å²	80.4	20%	0.201	41%	0.405	C	S	.	.			trans	-106.2	146.1	175.4	-67.4	81.7	0	0	0	110.9	N426 D427 L428 L431 Y437 D444 K658	N426-W446 HydrophobicContact CB-CD2 4.45Å; N426-W446 HydrophobicContact CB-CE3 4.1Å; N426-W446 HydrophobicContact CB-CZ3 4.43Å; D427-W446 WeakPolarHBondContact O-CZ3 3.36Å; L428-W446 HydrophobicContact CD2-CB 3.52Å; L428-W446 HydrophobicContact CD2-CG 4.14Å; L428-W446 HydrophobicContact CG-CB 3.95Å; L431-W446 HydrophobicContact CB-CD2 4.34Å; L431-W446 HydrophobicContact CB-CE3 3.92Å; L431-W446 HydrophobicContact CB-CH2 3.95Å; L431-W446 HydrophobicContact CB-CZ2 4.35Å; L431-W446 HydrophobicContact CB-CZ3 3.73Å; L431-W446 HydrophobicContact CD1-CH2 4.11Å; L431-W446 HydrophobicContact CD1-CZ2 3.92Å; L431-W446 HydrophobicContact CD2-CD2 4.02Å; L431-W446 HydrophobicContact CD2-CE3 4.43Å; L431-W446 HydrophobicContact CD2-CG 4.33Å; L431-W446 HydrophobicContact CD2-CZ2 4.33Å; L431-W446 HydrophobicContact CG-CH2 4.48Å; L431-W446 HydrophobicContact CG-CZ2 4.43Å; Y437-W446 WeakPolarHBondContact O-CZ2 3.29Å; D444-W446 PolarHBondContact O-NE1 2.7Å; W446-K658 HydrophobicContact CH2-CD 4.5Å
447	M	91.1	Very high	80	Confident	7 Å²	7	77.9 Å²	77.9	3%	0.034	39%	0.387	C	S	.	.	B	Isolated β-bridge	trans	-120.8	163.3	179.9	63.3	78.5	179.9	0	0	110.7	L425 N426 D427 L428 I449 Y484 T486 S653 T655	L425-M447 HydrophobicContact CB-CE 3.9Å; L425-M447 HydrophobicContact CD1-CE 4.26Å; N426-M447 PolarHBondContact O-N 2.79Å; D427-M447 CarbonylContact C-O 3.59Å; D427-M447 VanDerWaalsContact CA-O 3.28Å; D427-M447 WeakPolarHBondContact CA-O 3.28Å; D427-M447 HydrophobicContact CB-CE 4.4Å; L428-M447 PolarHBondContact N-O 3.21Å; M447-I449 HydrophobicContact CE-CD1 4.02Å; M447-I449 HydrophobicContact CE-CG1 3.78Å; M447-I449 HydrophobicContact SD-CG1 3.69Å; M447-Y484 HydrophobicContact CE-CE2 4.21Å; M447-Y484 HydrophobicContact SD-CE2 4.31Å; M447-T486 HydrophobicContact CB-CG2 3.83Å; M447-S653 WeakPolarHBondContact CB-O 3.48Å; M447-T655 HydrophobicContact CE-CG2 4.33Å
448	E	91.9	Very high	80.8	Confident	95 Å²	95	75.3 Å²	75.3	44%	0.444	38%	0.379	S	S	.	.			trans	-114.6	119.1	178.2	-172.9	-177.7	-176	0	0	110.8	L428 T450 T486 A487	L428-E448 HydrophobicContact CD1-CB 4.36Å; E448-T450 HydrophobicContact CG-CG2 4.28Å; E448-T450 PolarHBondContact O-N 2.9Å; E448-T486 WeakPolarHBondContact O-CA 3.17Å; E448-A487 HydrophobicContact CB-CB 3.87Å; E448-A487 HydrophobicContact CG-CB 4.26Å; E448-A487 PolarHBondContact O-N 3.48Å; E448-A487 VanDerWaalsContact O-N 3.09Å; E448-A487 WeakPolarHBondContact OE2-CB 3.49Å
449	I	93.3	Very high	82	Confident	9 Å²	9	76.7 Å²	76.7	5%	0.046	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	109.9	174.5	-59.8	178.8	0	0	0	109.5	L425 D427 M447 R452 F463 M482 Y484	L425-I449 HydrophobicContact CD1-CD1 3.99Å; D427-I449 HydrophobicContact CB-CD1 3.76Å; D427-I449 HydrophobicContact CB-CG1 3.97Å; D427-I449 PolarHBondContact OD1-N 2.83Å; D427-I449 VanDerWaalsContact OD1-N 3.12Å; M447-I449 HydrophobicContact CE-CD1 4.02Å; M447-I449 HydrophobicContact CE-CG1 3.78Å; M447-I449 HydrophobicContact SD-CG1 3.69Å; I449-R452 HydrophobicContact CG2-CB 4.28Å; I449-F463 HydrophobicContact CD1-CZ 4.16Å; I449-M482 HydrophobicContact CD1-CE 4.38Å; I449-Y484 HydrophobicContact CB-CD2 4.28Å; I449-Y484 HydrophobicContact CD1-CE2 4.43Å; I449-Y484 HydrophobicContact CG1-CD2 4Å; I449-Y484 HydrophobicContact CG1-CE2 3.87Å; I449-Y484 HydrophobicContact CG2-CD2 3.85Å; I449-Y484 HydrophobicContact CG2-CG 3.97Å
450	T	89.5	Confident	83.4	Confident	48 Å²	48	71.7 Å²	71.7	29%	0.294	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	159.3	171.4	54.2	0	0	0	0	109.5	E448 K485 A487	E448-T450 HydrophobicContact CG-CG2 4.28Å; E448-T450 PolarHBondContact O-N 2.9Å; T450-K485 CarbonylContact C-O 3.52Å; T450-K485 PolarHBondContact N-O 3.27Å; T450-K485 CarbonylContact O-C 3.47Å; T450-K485 PolarHBondContact O-N 2.7Å; T450-K485 PolarHBondContact OG1-O 2.82Å; T450-A487 HydrophobicContact CG2-CB 3.74Å; T450-A487 PolarHBondContact OG1-N 2.92Å
451	D	89.6	Confident	85.1	Confident	73 Å²	73	68.8 Å²	68.8	39%	0.39	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	40.7	92.3	175.9	-169.3	16	0	0	0	113.3	L234 Y484 K485	L234-D451 VanDerWaalsContact CD1-O 3.31Å; L234-D451 WeakPolarHBondContact CD1-O 3.22Å; L234-D451 WeakPolarHBondContact CD1-OD1 3.32Å; D451-Y484 WeakPolarHBondContact O-CA 3.35Å; D451-K485 HydrophobicContact CB-CB 4.31Å; D451-K485 HydrophobicContact CB-CD 3.98Å; D451-K485 HydrophobicContact CB-CG 4.26Å; D451-K485 PolarHBondContact O-N 3.04Å; D451-K485 WeakPolarHBondContact OD2-CE 3.47Å; D451-K485 IonicContact OD2-NZ 2.92Å; D451-K485 PolarHBondContact OD2-NZ 3.17Å
452	R	92.3	Very high	86.9	Confident	65 Å²	65	63.3 Å²	63.3	25%	0.245	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	142.4	-166.5	73	-171.4	-172.4	-134	-3.5	112.9	I449 F454 E460 R483	I449-R452 HydrophobicContact CG2-CB 4.28Å; R452-F454 HydrophobicContact CG-CE2 4.13Å; R452-E460 IonicContact CZ-OE1 3.27Å; R452-E460 IonicContact NE-OE1 3.94Å; R452-E460 IonicContact NH2-OE1 3.04Å; R452-E460 PolarHBondContact NH2-OE1 1.87Å; R452-R483 WeakPolarHBondContact CA-O 3.46Å
453	H	94.1	Very high	88.9	Confident	64 Å²	64	54.5 Å²	54.5	30%	0.296	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	140.1	168.6	-64.7	-35.6	0	0	0	110.8	L234 F235 F365 M482 R483	L234-H453 WeakPolarHBondContact CD1-CD2 3.12Å; F235-H453 AromaticContact CD2-NE2 3.87Å; F235-H453 AromaticContact CE2-CD2 3.15Å; F235-H453 WeakPolarHBondContact CE2-CD2 3.49Å; F235-H453 AromaticContact CE2-NE2 3.22Å; F235-H453 WeakPolarHBondContact CE2-NE2 3.45Å; F235-H453 AromaticContact CZ-CD2 3.29Å; F235-H453 WeakPolarHBondContact CZ-CD2 3.44Å; F235-H453 AromaticContact CZ-NE2 3.89Å; F365-H453 HydrophobicContact CE1-CB 3.97Å; F365-H453 HydrophobicContact CZ-CB 4.05Å; H453-M482 CarbonylContact O-C 3.59Å; H453-M482 WeakPolarHBondContact O-CA 3.5Å; H453-M482 WeakPolarHBondContact O-CB 3.39Å; H453-R483 PolarHBondContact N-O 3.01Å; H453-R483 PolarHBondContact O-N 2.86Å
454	F	94.6	Very high	90.4	Very high	32 Å²	32	55.3 Å²	55.3	14%	0.14	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	144.2	179.7	-69	-67.2	0	0	0	110.7	R452 V458 E460 F463 M482	R452-F454 HydrophobicContact CG-CE2 4.13Å; F454-V458 HydrophobicContact CB-CB 4.12Å; F454-V458 HydrophobicContact CB-CG1 4.46Å; F454-V458 HydrophobicContact CD1-CB 4.1Å; F454-V458 HydrophobicContact CD1-CG1 3.66Å; F454-V458 HydrophobicContact CD1-CG2 4.29Å; F454-V458 HydrophobicContact CE1-CG1 4.11Å; F454-V458 HydrophobicContact CG-CB 4.34Å; F454-V458 HydrophobicContact CG-CG1 4.15Å; F454-E460 HydrophobicContact CD2-CB 3.99Å; F454-E460 HydrophobicContact CD2-CG 3.93Å; F454-E460 HydrophobicContact CE2-CB 4.4Å; F454-E460 HydrophobicContact CE2-CG 3.99Å; F454-F463 HydrophobicContact CE2-CB 4.46Å; F454-F463 AromaticContact CE2-CD1 3.84Å; F454-F463 HydrophobicContact CE2-CD1 3.84Å; F454-F463 HydrophobicContact CE2-CE1 4.44Å; F454-F463 HydrophobicContact CE2-CG 4.24Å; F454-F463 HydrophobicContact CZ-CB 4.2Å; F454-F463 AromaticContact CZ-CD1 3.53Å; F454-F463 HydrophobicContact CZ-CD1 3.53Å; F454-F463 HydrophobicContact CZ-CD2 4.22Å; F454-F463 AromaticContact CZ-CE1 3.92Å; F454-F463 HydrophobicContact CZ-CE1 3.92Å; F454-F463 AromaticContact CZ-CG 3.7Å; F454-F463 HydrophobicContact CZ-CG 3.7Å; F454-F463 HydrophobicContact CZ-CZ 4.43Å; F454-M482 HydrophobicContact CD1-CB 3.62Å; F454-M482 HydrophobicContact CE1-CB 3.84Å; F454-M482 HydrophobicContact CE1-CE 3.62Å; F454-M482 HydrophobicContact CE1-SD 3.93Å; F454-M482 HydrophobicContact CZ-CE 4.04Å
455	H	93.5	Very high	91.5	Very high	9 Å²	9	61 Å²	61	4%	0.042	30%	0.301	C	S	.	.			trans	-73.5	152	165.3	173.8	-88.5	0	0	0	110.2	F365 L367 C457 V458 E480 L481	F365-H455 HydrophobicContact CD2-CB 4.47Å; F365-H455 HydrophobicContact CE2-CB 3.98Å; F365-H455 PolarHBondContact O-CD2 2.82Å; L367-H455 PolarHBondContact O-NE2 3.23Å; H455-C457 PolarHBondContact ND1-N 2.96Å; H455-C457 PolarHBondContact ND1-SG 2.78Å; H455-C457 PolarHBondContact O-N 2.98Å; H455-V458 PolarHBondContact O-N 3Å; H455-E480 WeakPolarHBondContact CB-O 3.43Å; H455-L481 PolarHBondContact N-O 3.03Å
456	Q	90.3	Very high	92	Very high	137 Å²	137	58 Å²	58	64%	0.64	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-14.8	-171.8	-163.8	-178.8	9.6	0	0	115.2	S368 V458	S368-Q456 VanDerWaalsContact CB-OE1 3.24Å; S368-Q456 PolarHBondContact OG-OE1 2.71Å; Q456-V458 VanDerWaalsContact C-N 3.29Å
457	C	89.9	Confident	92.3	Very high	22 Å²	22	58.2 Å²	58.2	15%	0.149	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-6.1	174.5	71.7	0	0	0	0	114.5	H455 F471 S472	H455-C457 PolarHBondContact ND1-N 2.96Å; H455-C457 PolarHBondContact ND1-SG 2.78Å; H455-C457 PolarHBondContact O-N 2.98Å; C457-F471 CarbonylContact O-C 3.55Å; C457-F471 WeakPolarHBondContact O-CA 3.02Å; C457-F471 WeakPolarHBondContact O-CB 3.19Å; C457-S472 WeakPolarHBondContact CB-O 3.43Å; C457-S472 PolarHBondContact O-N 3.37Å
458	V	93.3	Very high	92.3	Very high	14 Å²	14	59.3 Å²	59.3	9%	0.085	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-99.6	135.1	-178.8	-173.7	0	0	0	0	110.9	F454 H455 Q456 E460 I469 K470 F471 L481	F454-V458 HydrophobicContact CB-CB 4.12Å; F454-V458 HydrophobicContact CB-CG1 4.46Å; F454-V458 HydrophobicContact CD1-CB 4.1Å; F454-V458 HydrophobicContact CD1-CG1 3.66Å; F454-V458 HydrophobicContact CD1-CG2 4.29Å; F454-V458 HydrophobicContact CE1-CG1 4.11Å; F454-V458 HydrophobicContact CG-CB 4.34Å; F454-V458 HydrophobicContact CG-CG1 4.15Å; H455-V458 PolarHBondContact O-N 3Å; Q456-V458 VanDerWaalsContact C-N 3.29Å; V458-E460 PolarHBondContact O-N 2.73Å; V458-I469 HydrophobicContact CG1-CG2 3.74Å; V458-K470 WeakPolarHBondContact CG1-O 3.48Å; V458-F471 HydrophobicContact CB-CB 4.3Å; V458-F471 HydrophobicContact CG2-CB 3.94Å; V458-L481 HydrophobicContact CG2-CB 4.34Å; V458-L481 HydrophobicContact CG2-CD2 4.39Å; V458-L481 WeakPolarHBondContact CG2-O 3.48Å
459	N	93.8	Very high	92.5	Very high	64 Å²	64	54.9 Å²	54.9	34%	0.342	27%	0.273	S	S	.	.			trans	-81.2	91.7	174.3	-175.7	6.2	0	0	0	111	T461 E462 F463 K470	N459-T461 VanDerWaalsContact C-N 3.29Å; N459-T461 PolarHBondContact O-N 2.77Å; N459-T461 PolarHBondContact OD1-N 3.35Å; N459-T461 PolarHBondContact OD1-OG1 3.34Å; N459-E462 HydrophobicContact CB-CB 4.23Å; N459-E462 WeakPolarHBondContact ND2-CB 3.3Å; N459-E462 PolarHBondContact ND2-OE2 3.31Å; N459-E462 PolarHBondContact O-N 2.81Å; N459-F463 PolarHBondContact O-N 2.99Å; N459-K470 PolarHBondContact N-O 2.75Å
460	E	94.2	Very high	92.5	Very high	80 Å²	80	57.3 Å²	57.3	37%	0.374	28%	0.284	S	S	.	.	H	α-helix	trans	-61.4	-35.4	178.8	-179.8	170.2	-174.1	0	0	112.7	R452 F454 V458 E462 F463 Q464	R452-E460 IonicContact CZ-OE1 3.27Å; R452-E460 IonicContact NE-OE1 3.94Å; R452-E460 IonicContact NH2-OE1 3.04Å; R452-E460 PolarHBondContact NH2-OE1 1.87Å; F454-E460 HydrophobicContact CD2-CB 3.99Å; F454-E460 HydrophobicContact CD2-CG 3.93Å; F454-E460 HydrophobicContact CE2-CB 4.4Å; F454-E460 HydrophobicContact CE2-CG 3.99Å; V458-E460 PolarHBondContact O-N 2.73Å; E460-E462 PolarHBondContact O-N 3.06Å; E460-F463 PolarHBondContact O-N 3.22Å; E460-F463 VanDerWaalsContact O-N 3.08Å; E460-Q464 HydrophobicContact CG-CG 4.14Å; E460-Q464 WeakPolarHBondContact O-CG 3.12Å; E460-Q464 PolarHBondContact O-N 2.86Å; E460-Q464 PolarHBondContact OE1-NE2 3.15Å
461	T	93.8	Very high	92.7	Very high	89 Å²	89	55.1 Å²	55.1	55%	0.546	27%	0.27	S	S	.	.	H	α-helix	trans	-61.6	-36	-176.9	67	0	0	0	0	111.8	N459 Q464 M465	N459-T461 VanDerWaalsContact C-N 3.29Å; N459-T461 PolarHBondContact O-N 2.77Å; N459-T461 PolarHBondContact OD1-N 3.35Å; N459-T461 PolarHBondContact OD1-OG1 3.34Å; T461-Q464 WeakPolarHBondContact O-CB 3.33Å; T461-Q464 PolarHBondContact O-N 2.79Å; T461-M465 WeakPolarHBondContact O-CG 3.32Å; T461-M465 PolarHBondContact O-N 3.48Å; T461-M465 VanDerWaalsContact O-N 3.09Å
462	E	92.6	Very high	92.8	Very high	49 Å²	49	54.5 Å²	54.5	23%	0.229	27%	0.271	C	S	.	.	H	α-helix	trans	-75.7	-32	176.4	-177.5	159.2	-149.5	0	0	113	N459 E460 Q464 M465 S466 K470	N459-E462 HydrophobicContact CB-CB 4.23Å; N459-E462 WeakPolarHBondContact ND2-CB 3.3Å; N459-E462 PolarHBondContact ND2-OE2 3.31Å; N459-E462 PolarHBondContact O-N 2.81Å; E460-E462 PolarHBondContact O-N 3.06Å; E462-Q464 VanDerWaalsContact C-N 3.32Å; E462-M465 PolarHBondContact O-N 3.39Å; E462-S466 WeakPolarHBondContact O-CB 3.39Å; E462-S466 PolarHBondContact O-N 3.24Å; E462-S466 PolarHBondContact O-OG 3.14Å; E462-K470 VanDerWaalsContact CD-CD 3.49Å; E462-K470 HydrophobicContact CG-CG 4.32Å; E462-K470 WeakPolarHBondContact OE1-CD 3.27Å; E462-K470 WeakPolarHBondContact OE1-CE 3.46Å; E462-K470 IonicContact OE1-NZ 2.93Å; E462-K470 PolarHBondContact OE1-NZ 2.97Å; E462-K470 WeakPolarHBondContact OE2-CB 3.46Å; E462-K470 WeakPolarHBondContact OE2-CD 3.47Å
463	F	93.5	Very high	92.7	Very high	1 Å²	1	51.6 Å²	51.6	0%	0.004	26%	0.261	C	S	.	.	H	α-helix	trans	-65.6	-35.6	168.7	-174.4	-99.5	0	0	0	111.9	I449 F454 N459 E460 R467 L468 I469	I449-F463 HydrophobicContact CD1-CZ 4.16Å; F454-F463 HydrophobicContact CE2-CB 4.46Å; F454-F463 AromaticContact CE2-CD1 3.84Å; F454-F463 HydrophobicContact CE2-CD1 3.84Å; F454-F463 HydrophobicContact CE2-CE1 4.44Å; F454-F463 HydrophobicContact CE2-CG 4.24Å; F454-F463 HydrophobicContact CZ-CB 4.2Å; F454-F463 AromaticContact CZ-CD1 3.53Å; F454-F463 HydrophobicContact CZ-CD1 3.53Å; F454-F463 HydrophobicContact CZ-CD2 4.22Å; F454-F463 AromaticContact CZ-CE1 3.92Å; F454-F463 HydrophobicContact CZ-CE1 3.92Å; F454-F463 AromaticContact CZ-CG 3.7Å; F454-F463 HydrophobicContact CZ-CG 3.7Å; F454-F463 HydrophobicContact CZ-CZ 4.43Å; N459-F463 PolarHBondContact O-N 2.99Å; E460-F463 PolarHBondContact O-N 3.22Å; E460-F463 VanDerWaalsContact O-N 3.08Å; F463-R467 HydrophobicContact CE2-CB 4.37Å; F463-R467 VanDerWaalsContact CE2-O 3.27Å; F463-R467 WeakPolarHBondContact CE2-O 3.42Å; F463-R467 WeakPolarHBondContact O-CA 3.13Å; F463-R467 WeakPolarHBondContact O-CD 3.24Å; F463-R467 PolarHBondContact O-N 2.56Å; F463-L468 WeakPolarHBondContact CA-O 3.27Å; F463-I469 HydrophobicContact CD2-CG1 3.57Å; F463-I469 HydrophobicContact CE2-CD1 4.37Å; F463-I469 HydrophobicContact CE2-CG1 3.68Å
464	Q	92	Very high	92.4	Very high	116 Å²	116	49.5 Å²	49.5	54%	0.542	25%	0.253	S	S	.	.	H	α-helix	trans	-65.8	-37.4	173.4	-68.7	175.8	10.9	0	0	112.2	E460 T461 E462	E460-Q464 HydrophobicContact CG-CG 4.14Å; E460-Q464 WeakPolarHBondContact O-CG 3.12Å; E460-Q464 PolarHBondContact O-N 2.86Å; E460-Q464 PolarHBondContact OE1-NE2 3.15Å; T461-Q464 WeakPolarHBondContact O-CB 3.33Å; T461-Q464 PolarHBondContact O-N 2.79Å; E462-Q464 VanDerWaalsContact C-N 3.32Å
465	M	91	Very high	92.1	Very high	166 Å²	166	48.6 Å²	48.6	82%	0.818	25%	0.25	S	C	*	.	H	α-helix	trans	-81.3	-35.7	-179.8	-69.6	-178.7	65.4	0	0	114.7	T461 E462	T461-M465 WeakPolarHBondContact O-CG 3.32Å; T461-M465 PolarHBondContact O-N 3.48Å; T461-M465 VanDerWaalsContact O-N 3.09Å; E462-M465 PolarHBondContact O-N 3.39Å
466	S	90.6	Very high	91.8	Very high	25 Å²	25	48.7 Å²	48.7	18%	0.175	25%	0.252	C	S	.	.	H	α-helix	trans	-126.7	-10.3	-167	70.8	0	0	0	0	115.2	S433 E462 L468	S433-S466 PolarHBondContact OG-O 3.39Å; E462-S466 WeakPolarHBondContact O-CB 3.39Å; E462-S466 PolarHBondContact O-N 3.24Å; E462-S466 PolarHBondContact O-OG 3.14Å; S466-L468 PolarHBondContact O-N 2.77Å; S466-L468 WeakPolarHBondContact OG-CB 3.33Å; S466-L468 PolarHBondContact OG-N 2.8Å
467	R	92.5	Very high	91.7	Very high	58 Å²	58	42.2 Å²	42.2	22%	0.219	22%	0.222	C	C	.	.	S	Bend	trans	54	14.4	-169.8	-58	-72.9	-79.5	-126.9	3.4	114.4	D427 L430 F463	D427-R467 VanDerWaalsContact CG-NH2 3.25Å; D427-R467 IonicContact OD1-CZ 3.74Å; D427-R467 IonicContact OD1-NH2 2.64Å; D427-R467 PolarHBondContact OD1-NH2 3.48Å; D427-R467 IonicContact OD2-CZ 3.61Å; D427-R467 IonicContact OD2-NE 3.15Å; D427-R467 PolarHBondContact OD2-NE 2.84Å; D427-R467 IonicContact OD2-NH2 3.99Å; D427-R467 PolarHBondContact OD2-NH2 3.23Å; L430-R467 HydrophobicContact CB-CB 4.15Å; L430-R467 HydrophobicContact CD1-CB 4.36Å; F463-R467 HydrophobicContact CE2-CB 4.37Å; F463-R467 VanDerWaalsContact CE2-O 3.27Å; F463-R467 WeakPolarHBondContact CE2-O 3.42Å; F463-R467 WeakPolarHBondContact O-CA 3.13Å; F463-R467 WeakPolarHBondContact O-CD 3.24Å; F463-R467 PolarHBondContact O-N 2.56Å
468	L	92.9	Very high	91.7	Very high	29 Å²	29	41.9 Å²	41.9	15%	0.152	22%	0.218	C	C	.	.			trans	-89.3	134.9	165.6	-61.8	174.3	0	0	0	109.6	A424 L430 F463 S466 K470	A424-L468 HydrophobicContact CB-CD2 3.7Å; L430-L468 HydrophobicContact CD1-CD2 3.68Å; L430-L468 HydrophobicContact CD1-CG 4.14Å; L430-L468 HydrophobicContact CD2-CD2 4.45Å; F463-L468 WeakPolarHBondContact CA-O 3.27Å; S466-L468 PolarHBondContact O-N 2.77Å; S466-L468 WeakPolarHBondContact OG-CB 3.33Å; S466-L468 PolarHBondContact OG-N 2.8Å; L468-K470 PolarHBondContact O-N 2.91Å
469	I	95	Very high	91.6	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	97.4	178.1	-58	151.4	0	0	0	106.7	F422 L423 L425 V458 F463 F471 M482	F422-I469 CarbonylContact C-O 3.57Å; F422-I469 WeakPolarHBondContact CA-O 3.4Å; L423-I469 HydrophobicContact CB-CB 4.13Å; L423-I469 HydrophobicContact CD2-CD1 3.97Å; L423-I469 HydrophobicContact CG-CD1 4.01Å; L423-I469 PolarHBondContact N-O 2.59Å; L423-I469 WeakPolarHBondContact O-CB 3.49Å; L423-I469 PolarHBondContact O-N 2.94Å; L425-I469 HydrophobicContact CD1-CD1 3.7Å; L425-I469 HydrophobicContact CG-CD1 3.96Å; V458-I469 HydrophobicContact CG1-CG2 3.74Å; F463-I469 HydrophobicContact CD2-CG1 3.57Å; F463-I469 HydrophobicContact CE2-CD1 4.37Å; F463-I469 HydrophobicContact CE2-CG1 3.68Å; I469-F471 HydrophobicContact CG2-CD1 4.25Å; I469-M482 HydrophobicContact CD1-CE 4.25Å; I469-M482 HydrophobicContact CD1-SD 3.43Å; I469-M482 WeakPolarHBondContact CD1-SD 3.41Å; I469-M482 HydrophobicContact CG1-SD 4.15Å
470	K	94.5	Very high	91.5	Very high	60 Å²	60	39.6 Å²	39.6	26%	0.261	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	137.2	171.4	-65.6	-151.2	-163.5	150.7	0	111.4	C421 F422 V458 N459 E462 L468	C421-K470 CarbonylContact O-C 3.48Å; C421-K470 VanDerWaalsContact O-CA 3.3Å; C421-K470 WeakPolarHBondContact O-CA 3.21Å; F422-K470 HydrophobicContact CB-CG 4.16Å; V458-K470 WeakPolarHBondContact CG1-O 3.48Å; N459-K470 PolarHBondContact N-O 2.75Å; E462-K470 VanDerWaalsContact CD-CD 3.49Å; E462-K470 HydrophobicContact CG-CG 4.32Å; E462-K470 WeakPolarHBondContact OE1-CD 3.27Å; E462-K470 WeakPolarHBondContact OE1-CE 3.46Å; E462-K470 IonicContact OE1-NZ 2.93Å; E462-K470 PolarHBondContact OE1-NZ 2.97Å; E462-K470 WeakPolarHBondContact OE2-CB 3.46Å; E462-K470 WeakPolarHBondContact OE2-CD 3.47Å; L468-K470 PolarHBondContact O-N 2.91Å
471	F	93.2	Very high	91.5	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.009	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	148.7	-172.5	63.2	-79.5	0	0	0	112.4	C421 L423 C457 V458 I469 P473 L481	C421-F471 HydrophobicContact CB-CD1 4.09Å; C421-F471 HydrophobicContact CB-CD2 4.03Å; C421-F471 HydrophobicContact CB-CE1 3.64Å; C421-F471 HydrophobicContact CB-CE2 3.58Å; C421-F471 HydrophobicContact CB-CG 4.27Å; C421-F471 HydrophobicContact CB-CZ 3.36Å; C421-F471 PolarHBondContact N-O 3.49Å; C421-F471 PolarHBondContact O-N 3.21Å; L423-F471 HydrophobicContact CB-CE1 3.96Å; C457-F471 CarbonylContact O-C 3.55Å; C457-F471 WeakPolarHBondContact O-CA 3.02Å; C457-F471 WeakPolarHBondContact O-CB 3.19Å; V458-F471 HydrophobicContact CB-CB 4.3Å; V458-F471 HydrophobicContact CG2-CB 3.94Å; I469-F471 HydrophobicContact CG2-CD1 4.25Å; F471-P473 HydrophobicContact CD2-CB 4Å; F471-P473 HydrophobicContact CD2-CG 4.19Å; F471-P473 HydrophobicContact CE2-CB 3.94Å; F471-P473 HydrophobicContact CE2-CG 4.03Å; F471-P473 VanDerWaalsContact O-CD 3.24Å; F471-P473 WeakPolarHBondContact O-CD 3.28Å; F471-L481 HydrophobicContact CD1-CD1 4.27Å; F471-L481 HydrophobicContact CD2-CD1 3.98Å; F471-L481 HydrophobicContact CD2-CD2 3.61Å; F471-L481 HydrophobicContact CD2-CG 4.49Å; F471-L481 HydrophobicContact CE1-CD1 3.99Å; F471-L481 HydrophobicContact CE2-CD1 3.67Å; F471-L481 HydrophobicContact CE2-CD2 3.97Å; F471-L481 HydrophobicContact CE2-CG 4.48Å; F471-L481 HydrophobicContact CG-CD1 4.28Å; F471-L481 HydrophobicContact CG-CD2 4.13Å; F471-L481 HydrophobicContact CZ-CD1 3.67Å
472	S	91.7	Very high	91.5	Very high	60 Å²	60	31.5 Å²	31.5	42%	0.42	16%	0.161	S	C	.	.			trans	-103.4	91	174.8	-35.3	0	0	0	0	108.5	D420 C457	D420-S472 WeakPolarHBondContact OD1-CB 3.22Å; D420-S472 PolarHBondContact OD1-OG 2.84Å; C457-S472 WeakPolarHBondContact CB-O 3.43Å; C457-S472 PolarHBondContact O-N 3.37Å
473	P	89.6	Confident	91.6	Very high	4 Å²	4	29.5 Å²	29.5	3%	0.026	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-65.2	141.5	-171.8	25.9	-34.2	0	0	0	111.9	R374 A413 L415 C421 F471	R374-P473 PolarHBondContact NH2-O 2.94Å; A413-P473 HydrophobicContact CB-CB 3.73Å; A413-P473 HydrophobicContact CB-CG 3.71Å; L415-P473 HydrophobicContact CD1-CG 3.98Å; C421-P473 HydrophobicContact CB-CG 4.41Å; F471-P473 HydrophobicContact CD2-CB 4Å; F471-P473 HydrophobicContact CD2-CG 4.19Å; F471-P473 HydrophobicContact CE2-CB 3.94Å; F471-P473 HydrophobicContact CE2-CG 4.03Å; F471-P473 VanDerWaalsContact O-CD 3.24Å; F471-P473 WeakPolarHBondContact O-CD 3.28Å
474	P	88.5	Confident	91.7	Very high	21 Å²	21	29.4 Å²	29.4	14%	0.136	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-68.4	139.3	171.9	-20.7	34.8	0	0	0	112.2	V369 C477 V479	V369-P474 HydrophobicContact CB-CB 3.88Å; V369-P474 HydrophobicContact CB-CG 3.69Å; V369-P474 HydrophobicContact CG1-CB 3.63Å; V369-P474 HydrophobicContact CG1-CG 4.03Å; V369-P474 HydrophobicContact CG2-CB 4.16Å; V369-P474 HydrophobicContact CG2-CG 3.63Å; P474-C477 HydrophobicContact CB-CB 4.09Å; P474-V479 HydrophobicContact CG-CG1 4.04Å
475	D	87.9	Confident	91.7	Very high	13 Å²	13	26.1 Å²	26.1	7%	0.07	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-70.7	132.7	-171.7	-165.3	38.7	0	0	0	112.5	R374 R375 Y377 C477	R374-D475 VanDerWaalsContact CA-OD2 3.22Å; R374-D475 WeakPolarHBondContact CA-OD2 3.49Å; R374-D475 HydrophobicContact CG-CB 3.99Å; R375-D475 PolarHBondContact N-OD2 3.16Å; Y377-D475 VanDerWaalsContact CE2-OD1 3.29Å; Y377-D475 WeakPolarHBondContact CE2-OD1 3.43Å; Y377-D475 PolarHBondContact OH-OD1 2.94Å; Y377-D475 PolarHBondContact OH-OD2 3.3Å; Y377-D475 VanDerWaalsContact OH-OD2 3.09Å; D475-C477 WeakPolarHBondContact O-CB 3.25Å; D475-C477 PolarHBondContact O-N 3.33Å
476	A	87.6	Confident	91.6	Very high	11 Å²	11	18.8 Å²	18.8	9%	0.091	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.5	31.1	-178.5	0	0	0	0	0	114.9	Y321 Y377 A413 F414	Y321-A476 VanDerWaalsContact CD2-O 3.24Å; Y321-A476 WeakPolarHBondContact CD2-O 3.06Å; Y377-A476 WeakPolarHBondContact OH-CB 3.32Å; A413-A476 PolarHBondContact O-N 2.93Å; F414-A476 HydrophobicContact CD1-CB 3.88Å; F414-A476 HydrophobicContact CE1-CB 3.65Å
477	C	87.8	Confident	91.4	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.007	11%	0.109	C	C	.	.			trans	-132.4	120.4	-175.1	178.6	0	0	0	0	110.5	Q294 P474 D475 V479	Q294-C477 HydrophobicContact CG-CB 4.4Å; Q294-C477 WeakPolarHBondContact CG-SG 3.29Å; P474-C477 HydrophobicContact CB-CB 4.09Å; D475-C477 WeakPolarHBondContact O-CB 3.25Å; D475-C477 PolarHBondContact O-N 3.33Å; C477-V479 PolarHBondContact O-N 3.01Å
478	R	90.1	Very high	91	Very high	15 Å²	15	22.3 Å²	22.3	6%	0.057	13%	0.131	C	C	.	.			trans	-73.4	126.9	176.1	175	-175.9	164.4	133.2	7.1	109.6	T52 W54 Y321 Q385 H410 C411 L412	T52-R478 PolarHBondContact O-NH1 2.94Å; W54-R478 VanDerWaalsContact CZ2-NH1 3.3Å; Y321-R478 HydrophobicContact CE2-CB 4.13Å; Q385-R478 VanDerWaalsContact OE1-CZ 3.27Å; H410-R478 PolarHBondContact CD2-NE 2.82Å; H410-R478 VanDerWaalsContact CD2-NE 3.35Å; H410-R478 PolarHBondContact CD2-NH2 2.83Å; H410-R478 PolarHBondContact CE1-NH2 3.17Å; H410-R478 PolarHBondContact ND1-NH2 2.95Å; H410-R478 PolarHBondContact NE2-NH2 2.84Å; C411-R478 CarbonylContact O-C 3.57Å; C411-R478 VanDerWaalsContact O-CA 3.3Å; C411-R478 WeakPolarHBondContact O-CA 3.47Å; L412-R478 HydrophobicContact CD1-CB 4.33Å
479	V	90.1	Very high	90.4	Very high	9 Å²	9	21.6 Å²	21.6	6%	0.055	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	150.4	173.8	-66.9	0	0	0	0	111.3	V369 H410 C411 P474 C477 L481	V369-V479 HydrophobicContact CG2-CG1 3.84Å; H410-V479 CarbonylContact C-O 3.57Å; H410-V479 WeakPolarHBondContact CA-O 3.4Å; C411-V479 PolarHBondContact N-O 2.81Å; C411-V479 PolarHBondContact O-N 3.09Å; P474-V479 HydrophobicContact CG-CG1 4.04Å; C477-V479 PolarHBondContact O-N 3.01Å; V479-L481 HydrophobicContact CG2-CD2 3.83Å
480	E	93.1	Very high	88.9	Confident	20 Å²	20	22.9 Å²	22.9	9%	0.093	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	111.7	160.8	177.7	178	-165.6	0	0	106.9	F365 Q408 I409 H455 R483	F365-E480 HydrophobicContact CD2-CB 3.93Å; F365-E480 HydrophobicContact CD2-CG 3.83Å; F365-E480 HydrophobicContact CE2-CB 4.37Å; F365-E480 HydrophobicContact CE2-CG 3.95Å; Q408-E480 VanDerWaalsContact CG-OE1 3.25Å; Q408-E480 WeakPolarHBondContact CG-OE1 3.49Å; Q408-E480 PolarHBondContact NE2-OE1 3.14Å; I409-E480 CarbonylContact O-C 3.51Å; H455-E480 WeakPolarHBondContact CB-O 3.43Å; E480-R483 IonicContact OE1-CZ 2.97Å; E480-R483 IonicContact OE1-NE 2.67Å; E480-R483 PolarHBondContact OE1-NE 2.68Å; E480-R483 IonicContact OE1-NH2 2.78Å; E480-R483 PolarHBondContact OE1-NH2 3.21Å; E480-R483 VanDerWaalsContact OE1-NH2 3.16Å; E480-R483 IonicContact OE2-CZ 2.87Å; E480-R483 IonicContact OE2-NE 3.97Å; E480-R483 IonicContact OE2-NH2 3.57Å; E480-R483 PolarHBondContact OE2-NH2 2.78Å
481	L	93.8	Very high	87.4	Confident	0 Å²	0	21.5 Å²	21.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	-42.4	-178.9	-68	-179.7	0	0	0	111.8	L384 I409 C411 H455 V458 F471 V479	L384-L481 HydrophobicContact CD1-CD1 4.27Å; I409-L481 PolarHBondContact O-N 2.98Å; C411-L481 HydrophobicContact CB-CD1 3.54Å; C411-L481 HydrophobicContact CB-CD2 4.07Å; C411-L481 HydrophobicContact CB-CG 3.66Å; H455-L481 PolarHBondContact N-O 3.03Å; V458-L481 HydrophobicContact CG2-CB 4.34Å; V458-L481 HydrophobicContact CG2-CD2 4.39Å; V458-L481 WeakPolarHBondContact CG2-O 3.48Å; F471-L481 HydrophobicContact CD1-CD1 4.27Å; F471-L481 HydrophobicContact CD2-CD1 3.98Å; F471-L481 HydrophobicContact CD2-CD2 3.61Å; F471-L481 HydrophobicContact CD2-CG 4.49Å; F471-L481 HydrophobicContact CE1-CD1 3.99Å; F471-L481 HydrophobicContact CE2-CD1 3.67Å; F471-L481 HydrophobicContact CE2-CD2 3.97Å; F471-L481 HydrophobicContact CE2-CG 4.48Å; F471-L481 HydrophobicContact CG-CD1 4.28Å; F471-L481 HydrophobicContact CG-CD2 4.13Å; F471-L481 HydrophobicContact CZ-CD1 3.67Å; V479-L481 HydrophobicContact CG2-CD2 3.83Å
482	M	94.3	Very high	85.9	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	154.4	-178.9	70.8	-171.6	-66.9	0	0	112.3	I409 L425 I449 H453 F454 I469 Y484	I409-M482 HydrophobicContact CB-CG 4.06Å; I409-M482 HydrophobicContact CD1-CG 4.22Å; I409-M482 HydrophobicContact CD1-SD 4.09Å; I409-M482 HydrophobicContact CG1-CG 4.26Å; I409-M482 PolarHBondContact N-O 3.12Å; L425-M482 HydrophobicContact CD1-SD 4.35Å; I449-M482 HydrophobicContact CD1-CE 4.38Å; H453-M482 CarbonylContact O-C 3.59Å; H453-M482 WeakPolarHBondContact O-CA 3.5Å; H453-M482 WeakPolarHBondContact O-CB 3.39Å; F454-M482 HydrophobicContact CD1-CB 3.62Å; F454-M482 HydrophobicContact CE1-CB 3.84Å; F454-M482 HydrophobicContact CE1-CE 3.62Å; F454-M482 HydrophobicContact CE1-SD 3.93Å; F454-M482 HydrophobicContact CZ-CE 4.04Å; I469-M482 HydrophobicContact CD1-CE 4.25Å; I469-M482 HydrophobicContact CD1-SD 3.43Å; I469-M482 WeakPolarHBondContact CD1-SD 3.41Å; I469-M482 HydrophobicContact CG1-SD 4.15Å; M482-Y484 HydrophobicContact CE-CD1 3.59Å; M482-Y484 HydrophobicContact CE-CE1 3.94Å; M482-Y484 HydrophobicContact CE-CG 4.26Å; M482-Y484 HydrophobicContact CG-CD1 4.13Å; M482-Y484 HydrophobicContact CG-CE1 4.28Å; M482-Y484 HydrophobicContact SD-CD1 4.31Å; M482-Y484 HydrophobicContact SD-CE1 4.24Å
483	R	94.5	Very high	84.8	Confident	6 Å²	6	27.8 Å²	27.8	2%	0.023	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	137.3	168.5	-162.2	-179	-59.9	178.5	1.9	109.6	L234 F406 T407 Q408 R452 H453 E480	L234-R483 HydrophobicContact CD2-CG 4.21Å; L234-R483 PolarHBondContact O-NH1 2.97Å; F406-R483 HydrophobicContact CD2-CG 4.09Å; T407-R483 VanDerWaalsContact O-CA 3.3Å; T407-R483 WeakPolarHBondContact O-CA 3.37Å; Q408-R483 HydrophobicContact CG-CG 4.11Å; R452-R483 WeakPolarHBondContact CA-O 3.46Å; H453-R483 PolarHBondContact N-O 3.01Å; H453-R483 PolarHBondContact O-N 2.86Å; E480-R483 IonicContact OE1-CZ 2.97Å; E480-R483 IonicContact OE1-NE 2.67Å; E480-R483 PolarHBondContact OE1-NE 2.68Å; E480-R483 IonicContact OE1-NH2 2.78Å; E480-R483 PolarHBondContact OE1-NH2 3.21Å; E480-R483 VanDerWaalsContact OE1-NH2 3.16Å; E480-R483 IonicContact OE2-CZ 2.87Å; E480-R483 IonicContact OE2-NE 3.97Å; E480-R483 IonicContact OE2-NH2 3.57Å; E480-R483 PolarHBondContact OE2-NH2 2.78Å
484	Y	94.3	Very high	84.2	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	167.3	180	62.9	-81.4	0	0	0	114.1	F406 T407 I409 L425 M447 I449 D451 M482 T655	F406-Y484 CarbonylContact C-O 3.58Å; F406-Y484 VanDerWaalsContact CA-O 3.23Å; F406-Y484 WeakPolarHBondContact CA-O 3.39Å; F406-Y484 VanDerWaalsContact CB-O 3.31Å; F406-Y484 WeakPolarHBondContact CB-O 3.37Å; T407-Y484 HydrophobicContact CG2-CE1 3.82Å; T407-Y484 PolarHBondContact N-O 2.77Å; T407-Y484 PolarHBondContact O-N 3.21Å; I409-Y484 HydrophobicContact CD1-CE1 3.89Å; I409-Y484 HydrophobicContact CG1-CE1 4.16Å; L425-Y484 HydrophobicContact CD1-CE1 4.48Å; M447-Y484 HydrophobicContact CE-CE2 4.21Å; M447-Y484 HydrophobicContact SD-CE2 4.31Å; I449-Y484 HydrophobicContact CB-CD2 4.28Å; I449-Y484 HydrophobicContact CD1-CE2 4.43Å; I449-Y484 HydrophobicContact CG1-CD2 4Å; I449-Y484 HydrophobicContact CG1-CE2 3.87Å; I449-Y484 HydrophobicContact CG2-CD2 3.85Å; I449-Y484 HydrophobicContact CG2-CG 3.97Å; D451-Y484 WeakPolarHBondContact O-CA 3.35Å; M482-Y484 HydrophobicContact CE-CD1 3.59Å; M482-Y484 HydrophobicContact CE-CE1 3.94Å; M482-Y484 HydrophobicContact CE-CG 4.26Å; M482-Y484 HydrophobicContact CG-CD1 4.13Å; M482-Y484 HydrophobicContact CG-CE1 4.28Å; M482-Y484 HydrophobicContact SD-CD1 4.31Å; M482-Y484 HydrophobicContact SD-CE1 4.24Å; Y484-T655 WeakPolarHBondContact OH-CG2 3.14Å; Y484-T655 PolarHBondContact OH-OG1 2.91Å
485	K	92.1	Very high	83.6	Confident	47 Å²	47	28.4 Å²	28.4	20%	0.204	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	151	169.2	-66.2	177.2	-174.8	151	0	111.2	R232 L234 T450 D451	R232-K485 PolarHBondContact O-NZ 3.08Å; L234-K485 HydrophobicContact CD2-CG 3.8Å; T450-K485 CarbonylContact C-O 3.52Å; T450-K485 PolarHBondContact N-O 3.27Å; T450-K485 CarbonylContact O-C 3.47Å; T450-K485 PolarHBondContact O-N 2.7Å; T450-K485 PolarHBondContact OG1-O 2.82Å; D451-K485 HydrophobicContact CB-CB 4.31Å; D451-K485 HydrophobicContact CB-CD 3.98Å; D451-K485 HydrophobicContact CB-CG 4.26Å; D451-K485 PolarHBondContact O-N 3.04Å; D451-K485 WeakPolarHBondContact OD2-CE 3.47Å; D451-K485 IonicContact OD2-NZ 2.92Å; D451-K485 PolarHBondContact OD2-NZ 3.17Å
486	T	90.3	Very high	83.4	Confident	11 Å²	11	28 Å²	28	7%	0.067	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	131.7	169.4	-48.6	0	0	0	0	109.5	M447 E448 V488 S653	M447-T486 HydrophobicContact CB-CG2 3.83Å; E448-T486 WeakPolarHBondContact O-CA 3.17Å; T486-V488 VanDerWaalsContact C-N 3.29Å; T486-V488 WeakPolarHBondContact CG2-O 3.48Å; T486-V488 PolarHBondContact O-N 2.92Å; T486-S653 WeakPolarHBondContact OG1-CB 3.33Å
487	A	86.6	Confident	83.4	Confident	48 Å²	48	30.2 Å²	30.2	40%	0.397	18%	0.182	S	C	.	.	S	Bend	trans	-56.9	-41.8	-176.4	0	0	0	0	0	113	E448 T450	E448-A487 HydrophobicContact CB-CB 3.87Å; E448-A487 HydrophobicContact CG-CB 4.26Å; E448-A487 PolarHBondContact O-N 3.48Å; E448-A487 VanDerWaalsContact O-N 3.09Å; E448-A487 WeakPolarHBondContact OE2-CB 3.49Å; T450-A487 HydrophobicContact CG2-CB 3.74Å; T450-A487 PolarHBondContact OG1-N 2.92Å
488	V	83.3	Confident	83.5	Confident	110 Å²	110	30.3 Å²	30.3	67%	0.667	18%	0.183	S	C	*	.	S	Bend	trans	-128.5	116.7	177.6	-177.8	0	0	0	0	108.9	T486 G490	T486-V488 VanDerWaalsContact C-N 3.29Å; T486-V488 WeakPolarHBondContact CG2-O 3.48Å; T486-V488 PolarHBondContact O-N 2.92Å; V488-G490 PolarHBondContact O-N 2.82Å
489	L	80.7	Confident	83.6	Confident	14 Å²	14	34 Å²	34	7%	0.073	20%	0.199	C	C	.	.			trans	-74.2	105.4	175	-56.4	-177.3	0	0	0	109.8	I390 R403 A405 C491 V652	I390-L489 HydrophobicContact CD1-CD1 4.23Å; R403-L489 PolarHBondContact NH1-O 2.91Å; A405-L489 HydrophobicContact CB-CD1 3.77Å; A405-L489 HydrophobicContact CB-CD2 3.81Å; A405-L489 HydrophobicContact CB-CG 4.47Å; L489-C491 VanDerWaalsContact C-N 3.33Å; L489-C491 PolarHBondContact O-N 2.93Å; L489-V652 HydrophobicContact CB-CG1 4.35Å; L489-V652 HydrophobicContact CD1-CG1 4.5Å; L489-V652 HydrophobicContact CD2-CG1 4.46Å
490	G	63.4	Low	83.6	Confident	28 Å²	28	33.9 Å²	33.9	29%	0.289	20%	0.199	S	C	.	.	S	Bend	trans	-70.9	-21	-172.5	0	0	0	0	0	114.9	V488 T492 Q654	V488-G490 PolarHBondContact O-N 2.82Å; G490-T492 PolarHBondContact O-N 3.11Å; G490-Q654 PolarHBondContact O-NE2 3.05Å
491	C	63.3	Low	83.5	Confident	31 Å²	31	33.6 Å²	33.6	21%	0.209	20%	0.199	C	C	.	.			trans	-78.8	100.9	161.8	-72.5	0	0	0	0	110.2	R403 L489 V652	R403-C491 PolarHBondContact NH1-O 2.8Å; L489-C491 VanDerWaalsContact C-N 3.33Å; L489-C491 PolarHBondContact O-N 2.93Å; C491-V652 HydrophobicContact CB-CB 4.41Å; C491-V652 HydrophobicContact CB-CG1 4.28Å; C491-V652 HydrophobicContact CB-CG2 4.18Å
492	T	61.6	Low	83.3	Confident	110 Å²	110	34.1 Å²	34.1	68%	0.675	20%	0.202	S	C	*	.			trans	-84.4	-30.2	168.4	49.1	0	0	0	0	112.6	G490	G490-T492 PolarHBondContact O-N 3.11Å
493	E	68.6	Low	83	Confident	84 Å²	84	35.2 Å²	35.2	39%	0.393	21%	0.208	S	C	.	.	S	Bend	trans	-76.4	134.5	177.1	-65.9	-171.4	-169	0	0	112.4	T520 F521	E493-T520 WeakPolarHBondContact OE2-CB 3.29Å; E493-T520 PolarHBondContact OE2-OG1 2.9Å; E493-F521 PolarHBondContact OE2-N 2.78Å
494	I	76.1	Confident	82.6	Confident	38 Å²	38	35.4 Å²	35.4	20%	0.195	21%	0.21	C	C	.	.			trans	-89.7	134.2	177.1	-46.6	179.7	0	0	0	109.3	I392 L394 V400 F496	I392-I494 HydrophobicContact CD1-CG2 4.19Å; L394-I494 HydrophobicContact CD1-CD1 4.46Å; L394-I494 HydrophobicContact CD2-CD1 3.81Å; V400-I494 HydrophobicContact CG2-CD1 3.73Å; I494-F496 WeakPolarHBondContact CG2-O 3.29Å; I494-F496 PolarHBondContact O-N 3.06Å; I494-F496 VanDerWaalsContact O-N 3.17Å
495	P	76.5	Confident	82.2	Confident	1 Å²	1	40 Å²	40	1%	0.006	23%	0.232	C	C	.	.	S	Bend	trans	-60.7	-21.7	176.9	16.5	-28.7	0	0	0	115.6	S518 F521 I647 Y678	P495-S518 PolarHBondContact O-N 2.84Å; P495-F521 HydrophobicContact CB-CD1 3.59Å; P495-F521 HydrophobicContact CB-CD2 4.15Å; P495-F521 HydrophobicContact CB-CE1 3.54Å; P495-F521 HydrophobicContact CB-CE2 4.1Å; P495-F521 HydrophobicContact CB-CG 3.9Å; P495-F521 HydrophobicContact CB-CZ 3.8Å; P495-F521 HydrophobicContact CG-CE1 4.26Å; P495-F521 HydrophobicContact CG-CE2 4.18Å; P495-F521 HydrophobicContact CG-CZ 4.01Å; P495-I647 HydrophobicContact CB-CD1 3.77Å; P495-I647 HydrophobicContact CG-CD1 3.87Å; P495-Y678 VanDerWaalsContact CD-CE1 3.49Å; P495-Y678 HydrophobicContact CG-CD1 3.87Å; P495-Y678 HydrophobicContact CG-CD2 4.33Å; P495-Y678 HydrophobicContact CG-CE1 3.49Å; P495-Y678 VanDerWaalsContact CG-CE1 3.49Å; P495-Y678 HydrophobicContact CG-CE2 3.99Å; P495-Y678 HydrophobicContact CG-CG 4.28Å
496	F	84.1	Confident	81.7	Confident	5 Å²	5	40.2 Å²	40.2	2%	0.022	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	143	-173.9	-46.6	-82.3	0	0	0	111.8	I494 I498 L515 N516 M517 C535 M643 C645 I647	I494-F496 WeakPolarHBondContact CG2-O 3.29Å; I494-F496 PolarHBondContact O-N 3.06Å; I494-F496 VanDerWaalsContact O-N 3.17Å; F496-I498 HydrophobicContact CB-CG1 4.2Å; F496-L515 HydrophobicContact CB-CD1 3.94Å; F496-L515 HydrophobicContact CD1-CD1 3.97Å; F496-L515 HydrophobicContact CG-CD1 4.19Å; F496-N516 CarbonylContact C-O 3.6Å; F496-N516 VanDerWaalsContact CA-O 3.25Å; F496-N516 WeakPolarHBondContact CA-O 3.43Å; F496-M517 HydrophobicContact CD1-CB 4.41Å; F496-M517 HydrophobicContact CD1-CE 4.5Å; F496-M517 HydrophobicContact CE1-CE 3.68Å; F496-M517 HydrophobicContact CZ-CE 4.41Å; F496-C535 HydrophobicContact CE1-CB 4.26Å; F496-C535 HydrophobicContact CZ-CB 3.9Å; F496-M643 HydrophobicContact CB-CE 4.36Å; F496-M643 HydrophobicContact CD1-CE 3.89Å; F496-M643 HydrophobicContact CD2-CE 3.48Å; F496-M643 VanDerWaalsContact CD2-CE 3.48Å; F496-M643 HydrophobicContact CE1-CE 4Å; F496-M643 HydrophobicContact CE2-CE 3.66Å; F496-M643 HydrophobicContact CG-CE 3.62Å; F496-M643 HydrophobicContact CZ-CE 3.9Å; F496-C645 WeakPolarHBondContact CE2-SG 3.27Å; F496-C645 HydrophobicContact CZ-CB 4.49Å; F496-I647 HydrophobicContact CE2-CD1 4.17Å; F496-I647 HydrophobicContact CZ-CD1 4.21Å
497	S	87.5	Confident	81.1	Confident	57 Å²	57	42.1 Å²	42.1	40%	0.399	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	119.3	158	-170.7	0	0	0	0	108	N516	S497-N516 PolarHBondContact N-O 3.49Å; S497-N516 PolarHBondContact O-N 2.96Å
498	I	89.5	Confident	80.9	Confident	3 Å²	3	45.6 Å²	45.6	2%	0.015	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	135.2	178.5	-54.1	156.3	0	0	0	106.6	F496 F514 L515 M643 C680 V682	F496-I498 HydrophobicContact CB-CG1 4.2Å; I498-F514 CarbonylContact C-O 3.6Å; I498-F514 WeakPolarHBondContact CA-O 3.4Å; I498-L515 HydrophobicContact CG1-CD1 3.88Å; I498-M643 HydrophobicContact CD1-CB 3.77Å; I498-M643 HydrophobicContact CD1-CG 4.14Å; I498-M643 HydrophobicContact CD1-SD 3.48Å; I498-M643 WeakPolarHBondContact CD1-SD 3.38Å; I498-M643 HydrophobicContact CG1-SD 3.84Å; I498-C680 HydrophobicContact CD1-CB 4.13Å; I498-V682 HydrophobicContact CB-CG2 3.99Å; I498-V682 HydrophobicContact CD1-CG2 3.95Å; I498-V682 HydrophobicContact CG2-CG2 4.01Å
499	K	91.4	Very high	80.9	Confident	92 Å²	92	40.5 Å²	40.5	40%	0.4	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	127.5	170.6	-61.2	-161.5	177.4	-143.7	0	110.4	S397 A513 F514	S397-K499 WeakPolarHBondContact O-CE 3.49Å; S397-K499 PolarHBondContact O-NZ 2.87Å; K499-A513 WeakPolarHBondContact O-CA 3.39Å; K499-F514 PolarHBondContact N-O 2.87Å; K499-F514 PolarHBondContact O-N 3.14Å
500	A	91.4	Very high	81.2	Confident	6 Å²	6	41.9 Å²	41.9	5%	0.05	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	130.5	177	0	0	0	0	0	109.7	Q512 V641 V684 E685	A500-Q512 WeakPolarHBondContact CA-O 3.48Å; A500-V641 HydrophobicContact CB-CB 4.08Å; A500-V641 HydrophobicContact CB-CG2 3.53Å; A500-V684 HydrophobicContact CB-CG2 3.97Å; A500-E685 PolarHBondContact O-N 3.46Å
501	V	90.5	Very high	82.4	Confident	15 Å²	15	40.6 Å²	40.6	9%	0.091	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	133.5	-177.6	-171.7	0	0	0	0	108.3	Q512 F514 E685 K687	V501-Q512 HydrophobicContact CB-CB 4.48Å; V501-Q512 PolarHBondContact N-O 3.47Å; V501-Q512 PolarHBondContact O-N 2.91Å; V501-F514 HydrophobicContact CG2-CE2 4.47Å; V501-E685 WeakPolarHBondContact CA-O 3.21Å; V501-E685 HydrophobicContact CG1-CB 4.46Å; V501-E685 HydrophobicContact CG2-CB 4.37Å; V501-E685 WeakPolarHBondContact CG2-OE2 3.11Å; V501-K687 HydrophobicContact CG1-CD 3.91Å
502	V	89.5	Confident	83.7	Confident	11 Å²	11	41.8 Å²	41.8	7%	0.067	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	118.9	172.5	170.5	0	0	0	0	109.1	V504 V509 E510 L511 W637 V684 E685 K687	V502-V504 HydrophobicContact CG1-CG2 4.48Å; V502-V509 HydrophobicContact CG1-CG1 3.83Å; V502-E510 WeakPolarHBondContact CA-O 2.96Å; V502-L511 HydrophobicContact CB-CD2 4.29Å; V502-L511 HydrophobicContact CG1-CD2 3.89Å; V502-L511 HydrophobicContact CG2-CD2 3.45Å; V502-L511 VanDerWaalsContact CG2-CD2 3.45Å; V502-W637 HydrophobicContact CB-CH2 4.29Å; V502-W637 HydrophobicContact CB-CZ3 4.19Å; V502-W637 HydrophobicContact CG1-CZ3 4.37Å; V502-W637 HydrophobicContact CG2-CH2 3.55Å; V502-W637 HydrophobicContact CG2-CZ2 4.49Å; V502-W637 HydrophobicContact CG2-CZ3 3.95Å; V502-V684 HydrophobicContact CB-CG1 3.98Å; V502-V684 HydrophobicContact CG2-CG1 3.65Å; V502-E685 PolarHBondContact N-O 2.89Å; V502-K687 PolarHBondContact O-N 2.9Å
503	T	88.8	Confident	85.2	Confident	22 Å²	22	36.6 Å²	36.6	14%	0.135	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	125.4	-177.9	-55.4	0	0	0	0	109.7	V509 E510 K687 I689	T503-V509 WeakPolarHBondContact O-CA 3.29Å; T503-E510 PolarHBondContact N-O 2.98Å; T503-E510 PolarHBondContact O-N 2.85Å; T503-K687 CarbonylContact C-O 3.53Å; T503-K687 VanDerWaalsContact CA-O 3.32Å; T503-K687 WeakPolarHBondContact CA-O 3.38Å; T503-K687 HydrophobicContact CG2-CB 4.48Å; T503-I689 HydrophobicContact CG2-CD1 3.46Å; T503-I689 VanDerWaalsContact CG2-CD1 3.46Å; T503-I689 HydrophobicContact CG2-CG1 4.14Å
504	V	86.2	Confident	86.3	Confident	10 Å²	10	36.5 Å²	36.5	6%	0.061	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	129.4	179.2	-171.9	0	0	0	0	110	V502 Y508 V509 I633 K687 W688 I689	V502-V504 HydrophobicContact CG1-CG2 4.48Å; V504-Y508 WeakPolarHBondContact CA-O 3.43Å; V504-V509 HydrophobicContact CG1-CG2 4.47Å; V504-V509 HydrophobicContact CG2-CG2 4.47Å; V504-I633 HydrophobicContact CB-CD1 4.25Å; V504-I633 HydrophobicContact CG1-CD1 3.61Å; V504-I633 HydrophobicContact CG2-CD1 3.55Å; V504-K687 PolarHBondContact N-O 2.94Å; V504-W688 HydrophobicContact CB-CD2 4.35Å; V504-W688 HydrophobicContact CB-CE3 3.7Å; V504-W688 HydrophobicContact CB-CZ3 3.91Å; V504-W688 HydrophobicContact CG1-CE3 3.85Å; V504-W688 HydrophobicContact CG1-CZ3 3.7Å; V504-W688 HydrophobicContact CG2-CD2 4.41Å; V504-W688 HydrophobicContact CG2-CE3 4.01Å; V504-W688 HydrophobicContact CG2-CH2 4.27Å; V504-W688 HydrophobicContact CG2-CZ3 3.95Å; V504-I689 PolarHBondContact O-N 3.44Å
505	Q	85.4	Confident	87	Confident	98 Å²	98	34.8 Å²	34.8	46%	0.458	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	82.9	179.5	-73.6	176.9	7.2	0	0	108.9	A507 Y508 I689	Q505-A507 PolarHBondContact O-N 3.19Å; Q505-Y508 PolarHBondContact N-O 3.15Å; Q505-Y508 PolarHBondContact O-N 2.89Å; Q505-I689 HydrophobicContact CG-CB 3.9Å; Q505-I689 HydrophobicContact CG-CD1 4.16Å; Q505-I689 HydrophobicContact CG-CG2 4.15Å
506	G	81.8	Confident	87.6	Confident	51 Å²	51	37.4 Å²	37.4	53%	0.526	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	-119.6	-171.5	0	0	0	0	0	111.3	Y508	G506-Y508 VanDerWaalsContact C-N 3.31Å
507	A	76.9	Confident	87.5	Confident	51 Å²	51	37.7 Å²	37.7	42%	0.421	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-9.9	176.7	0	0	0	0	0	114.2	Q505 L627	Q505-A507 PolarHBondContact O-N 3.19Å; A507-L627 WeakPolarHBondContact O-CB 3.31Å; A507-L627 PolarHBondContact O-N 2.86Å
508	Y	81.8	Confident	87.2	Confident	121 Å²	121	36.4 Å²	36.4	48%	0.475	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	132.8	179.9	-61.6	-71	0	0	0	111.8	V504 Q505 G506 L625 E626	V504-Y508 WeakPolarHBondContact CA-O 3.43Å; Q505-Y508 PolarHBondContact N-O 3.15Å; Q505-Y508 PolarHBondContact O-N 2.89Å; G506-Y508 VanDerWaalsContact C-N 3.31Å; Y508-L625 WeakPolarHBondContact CA-O 3.33Å; Y508-E626 HydrophobicContact CD1-CB 3.95Å; Y508-E626 HydrophobicContact CD1-CG 4.08Å; Y508-E626 HydrophobicContact CE1-CB 3.76Å; Y508-E626 VanDerWaalsContact CE1-CD 3.46Å; Y508-E626 HydrophobicContact CE1-CG 3.52Å; Y508-E626 WeakPolarHBondContact CE1-OE1 3.48Å; Y508-E626 VanDerWaalsContact CZ-OE1 3.23Å; Y508-E626 PolarHBondContact OH-OE1 2.71Å
509	V	83.9	Confident	86.2	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.012	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	115.2	174.3	-178.6	0	0	0	0	108.9	V502 T503 V504 L511 L625 L627 I633	V502-V509 HydrophobicContact CG1-CG1 3.83Å; T503-V509 WeakPolarHBondContact O-CA 3.29Å; V504-V509 HydrophobicContact CG1-CG2 4.47Å; V504-V509 HydrophobicContact CG2-CG2 4.47Å; V509-L511 HydrophobicContact CG1-CD2 3.67Å; V509-L511 HydrophobicContact CG1-CG 4.29Å; V509-L625 PolarHBondContact N-O 2.89Å; V509-L625 PolarHBondContact O-N 2.83Å; V509-L627 HydrophobicContact CG2-CD1 3.71Å; V509-L627 HydrophobicContact CG2-CG 4.03Å; V509-I633 HydrophobicContact CG2-CD1 3.63Å; V509-I633 HydrophobicContact CG2-CG1 4.38Å
510	E	87.4	Confident	85.1	Confident	44 Å²	44	37.7 Å²	37.7	21%	0.206	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	114.6	169.2	-170	170.6	172.4	0	0	110.7	V502 T503 Q512 S622 C623 K624	V502-E510 WeakPolarHBondContact CA-O 2.96Å; T503-E510 PolarHBondContact N-O 2.98Å; T503-E510 PolarHBondContact O-N 2.85Å; E510-Q512 HydrophobicContact CG-CG 3.98Å; E510-Q512 PolarHBondContact OE1-NE2 3.03Å; E510-S622 PolarHBondContact OE1-OG 2.89Å; E510-C623 CarbonylContact C-O 3.57Å; E510-C623 WeakPolarHBondContact CA-O 3.48Å; E510-K624 HydrophobicContact CB-CG 4.25Å; E510-K624 VanDerWaalsContact CD-CE 3.49Å; E510-K624 HydrophobicContact CG-CG 3.85Å; E510-K624 WeakPolarHBondContact OE2-CE 3.46Å; E510-K624 IonicContact OE2-NZ 3.92Å
511	L	88.4	Confident	84	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	120.9	173.7	-48	173.2	0	0	0	108.5	V502 V509 V544 I601 S622 C623 L625	V502-L511 HydrophobicContact CB-CD2 4.29Å; V502-L511 HydrophobicContact CG1-CD2 3.89Å; V502-L511 HydrophobicContact CG2-CD2 3.45Å; V502-L511 VanDerWaalsContact CG2-CD2 3.45Å; V509-L511 HydrophobicContact CG1-CD2 3.67Å; V509-L511 HydrophobicContact CG1-CG 4.29Å; L511-V544 HydrophobicContact CD1-CG2 3.44Å; L511-V544 VanDerWaalsContact CD1-CG2 3.44Å; L511-I601 HydrophobicContact CD1-CD1 3.89Å; L511-S622 CarbonylContact O-C 3.58Å; L511-S622 VanDerWaalsContact O-CA 3.3Å; L511-S622 WeakPolarHBondContact O-CA 3.47Å; L511-C623 HydrophobicContact CB-CB 4.42Å; L511-C623 PolarHBondContact N-O 2.83Å; L511-C623 PolarHBondContact O-N 2.84Å; L511-L625 HydrophobicContact CD1-CD1 3.99Å
512	Q	90.8	Very high	82.7	Confident	55 Å²	55	37.2 Å²	37.2	26%	0.257	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	139.2	175.8	-60.4	-174.4	-14.8	0	0	111	A500 V501 E510 F514 F621	A500-Q512 WeakPolarHBondContact CA-O 3.48Å; V501-Q512 HydrophobicContact CB-CB 4.48Å; V501-Q512 PolarHBondContact N-O 3.47Å; V501-Q512 PolarHBondContact O-N 2.91Å; E510-Q512 HydrophobicContact CG-CG 3.98Å; E510-Q512 PolarHBondContact OE1-NE2 3.03Å; Q512-F514 HydrophobicContact CB-CE2 3.77Å; Q512-F514 HydrophobicContact CB-CZ 4.15Å; Q512-F621 WeakPolarHBondContact CA-O 3.38Å
513	A	92.1	Very high	81.2	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.008	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	130.7	169.7	0	0	0	0	0	110.2	K499 V542 W603 S620 F621	K499-A513 WeakPolarHBondContact O-CA 3.39Å; A513-V542 HydrophobicContact CB-CG2 4.43Å; A513-W603 HydrophobicContact CB-CZ3 4.39Å; A513-S620 CarbonylContact O-C 3.2Å; A513-S620 WeakPolarHBondContact O-CA 3.3Å; A513-F621 HydrophobicContact CB-CB 4.43Å; A513-F621 HydrophobicContact CB-CD1 3.96Å; A513-F621 PolarHBondContact N-O 3.18Å; A513-F621 PolarHBondContact O-N 2.77Å
514	F	91.9	Very high	79.8	Confident	83 Å²	83	42.9 Å²	42.9	36%	0.364	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	134.5	178.1	-57.7	-86.9	0	0	0	109	I498 K499 V501 Q512 H619	I498-F514 CarbonylContact C-O 3.6Å; I498-F514 WeakPolarHBondContact CA-O 3.4Å; K499-F514 PolarHBondContact N-O 2.87Å; K499-F514 PolarHBondContact O-N 3.14Å; V501-F514 HydrophobicContact CG2-CE2 4.47Å; Q512-F514 HydrophobicContact CB-CE2 3.77Å; Q512-F514 HydrophobicContact CB-CZ 4.15Å; F514-H619 WeakPolarHBondContact CA-O 3.42Å
515	L	91.1	Very high	78.5	Confident	2 Å²	2	44.1 Å²	44.1	1%	0.01	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	122.2	178	174.7	67.3	0	0	0	108.6	F496 I498 V538 I540 W603 I605 L608 H619 M643	F496-L515 HydrophobicContact CB-CD1 3.94Å; F496-L515 HydrophobicContact CD1-CD1 3.97Å; F496-L515 HydrophobicContact CG-CD1 4.19Å; I498-L515 HydrophobicContact CG1-CD1 3.88Å; L515-V538 HydrophobicContact CD2-CG1 4.11Å; L515-I540 HydrophobicContact CB-CD1 4.23Å; L515-I540 HydrophobicContact CD1-CD1 4.44Å; L515-I540 HydrophobicContact CD2-CD1 4Å; L515-I540 HydrophobicContact CG-CD1 4.46Å; L515-W603 HydrophobicContact CB-CH2 4.05Å; L515-W603 HydrophobicContact CB-CZ3 4.25Å; L515-I605 HydrophobicContact CD2-CD1 3.77Å; L515-L608 HydrophobicContact CD2-CD1 3.64Å; L515-H619 HydrophobicContact CB-CB 4.41Å; L515-H619 PolarHBondContact N-O 2.79Å; L515-H619 PolarHBondContact O-N 3.17Å; L515-M643 HydrophobicContact CD1-CE 4.09Å; L515-M643 HydrophobicContact CD1-SD 3.71Å
516	N	88.6	Confident	76.9	Confident	56 Å²	56	48.6 Å²	48.6	30%	0.299	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	145.1	167.7	-164.5	12.6	0	0	0	110.2	F496 S497 D616	F496-N516 CarbonylContact C-O 3.6Å; F496-N516 VanDerWaalsContact CA-O 3.25Å; F496-N516 WeakPolarHBondContact CA-O 3.43Å; S497-N516 PolarHBondContact N-O 3.49Å; S497-N516 PolarHBondContact O-N 2.96Å; N516-D616 VanDerWaalsContact OD1-C 3.24Å; N516-D616 PolarHBondContact OD1-O 3.44Å; N516-D616 VanDerWaalsContact OD1-O 3.1Å
517	M	83.4	Confident	75.3	Confident	10 Å²	10	51.1 Å²	51.1	5%	0.049	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	135	176.1	169.4	175.9	-77.5	0	0	109.6	F496 A519 L522 C535 L608 P609 V615	F496-M517 HydrophobicContact CD1-CB 4.41Å; F496-M517 HydrophobicContact CD1-CE 4.5Å; F496-M517 HydrophobicContact CE1-CE 3.68Å; F496-M517 HydrophobicContact CZ-CE 4.41Å; M517-A519 PolarHBondContact O-N 3.33Å; M517-L522 HydrophobicContact CG-CG 4.46Å; M517-L522 HydrophobicContact SD-CD1 3.8Å; M517-L522 HydrophobicContact SD-CD2 4.27Å; M517-L522 HydrophobicContact SD-CG 4.18Å; M517-C535 HydrophobicContact CE-CB 3.76Å; M517-C535 WeakPolarHBondContact CE-SG 3.49Å; M517-L608 HydrophobicContact CE-CB 3.49Å; M517-L608 VanDerWaalsContact CE-CB 3.49Å; M517-P609 HydrophobicContact SD-CB 4.33Å; M517-V615 HydrophobicContact CG-CG1 4.02Å; M517-V615 HydrophobicContact SD-CG1 4.11Å
518	S	80.1	Confident	73.9	Confident	30 Å²	30	54.2 Å²	54.2	21%	0.21	30%	0.296	C	S	.	.			trans	-76.3	120.2	-179.2	-173.6	0	0	0	0	111.6	P495 T520 F521 L522	P495-S518 PolarHBondContact O-N 2.84Å; S518-T520 VanDerWaalsContact C-N 3.27Å; S518-T520 PolarHBondContact O-N 3.34Å; S518-T520 PolarHBondContact OG-N 3.46Å; S518-T520 PolarHBondContact OG-OG1 3.45Å; S518-F521 PolarHBondContact O-N 3.22Å; S518-L522 PolarHBondContact O-N 2.72Å
519	A	69.9	Low	72	Confident	48 Å²	48	54.3 Å²	54.3	40%	0.397	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-23.5	173	0	0	0	0	0	113	M517 S523 V615	M517-A519 PolarHBondContact O-N 3.33Å; A519-S523 WeakPolarHBondContact O-CB 3.39Å; A519-S523 PolarHBondContact O-N 3.32Å; A519-S523 PolarHBondContact O-OG 2.67Å; A519-V615 HydrophobicContact CB-CG1 4.16Å
520	T	66.8	Low	70.1	Confident	74 Å²	74	61 Å²	61	45%	0.454	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-42.2	174.9	63.5	0	0	0	0	110.6	E493 S518 L522 S523 S524	E493-T520 WeakPolarHBondContact OE2-CB 3.29Å; E493-T520 PolarHBondContact OE2-OG1 2.9Å; S518-T520 VanDerWaalsContact C-N 3.27Å; S518-T520 PolarHBondContact O-N 3.34Å; S518-T520 PolarHBondContact OG-N 3.46Å; S518-T520 PolarHBondContact OG-OG1 3.45Å; T520-L522 PolarHBondContact O-N 2.89Å; T520-S523 CarbonylContact O-C 3.47Å; T520-S523 WeakPolarHBondContact O-CA 3.17Å; T520-S523 VanDerWaalsContact O-CB 3.31Å; T520-S523 WeakPolarHBondContact O-CB 3.46Å; T520-S523 PolarHBondContact O-N 3.12Å; T520-S524 PolarHBondContact O-N 3.36Å; T520-S524 PolarHBondContact O-OG 3.31Å
521	F	69.3	Low	68.4	Low	2 Å²	2	63.6 Å²	63.6	1%	0.009	37%	0.369	C	S	.	.	H	α-helix	trans	-62.6	-42.2	176.8	-178.6	-89.5	0	0	0	112.7	E493 P495 S518 S523 S524 L525 I647 Y678	E493-F521 PolarHBondContact OE2-N 2.78Å; P495-F521 HydrophobicContact CB-CD1 3.59Å; P495-F521 HydrophobicContact CB-CD2 4.15Å; P495-F521 HydrophobicContact CB-CE1 3.54Å; P495-F521 HydrophobicContact CB-CE2 4.1Å; P495-F521 HydrophobicContact CB-CG 3.9Å; P495-F521 HydrophobicContact CB-CZ 3.8Å; P495-F521 HydrophobicContact CG-CE1 4.26Å; P495-F521 HydrophobicContact CG-CE2 4.18Å; P495-F521 HydrophobicContact CG-CZ 4.01Å; S518-F521 PolarHBondContact O-N 3.22Å; F521-S523 PolarHBondContact O-N 2.94Å; F521-S524 PolarHBondContact O-N 2.87Å; F521-S524 PolarHBondContact O-OG 2.93Å; F521-L525 HydrophobicContact CD1-CD1 3.88Å; F521-L525 HydrophobicContact CE1-CD1 3.21Å; F521-L525 HydrophobicContact CE1-CG 4.48Å; F521-L525 HydrophobicContact CE2-CD1 4.17Å; F521-L525 HydrophobicContact CZ-CD1 3.4Å; F521-L525 VanDerWaalsContact CZ-CD1 3.4Å; F521-L525 HydrophobicContact CZ-CG 4.5Å; F521-L525 PolarHBondContact O-N 2.82Å; F521-I647 HydrophobicContact CE1-CD1 3.81Å; F521-I647 HydrophobicContact CZ-CD1 4.04Å; F521-Y678 WeakPolarHBondContact CE2-OH 3.47Å; F521-Y678 WeakPolarHBondContact CZ-OH 3.35Å
522	L	62.9	Low	67	Low	10 Å²	10	68.8 Å²	68.8	5%	0.052	39%	0.393	C	S	.	.	H	α-helix	trans	-68	-12.8	171.9	-63.3	-158.9	0	0	0	113.5	M517 S518 T520 P533 V615	M517-L522 HydrophobicContact CG-CG 4.46Å; M517-L522 HydrophobicContact SD-CD1 3.8Å; M517-L522 HydrophobicContact SD-CD2 4.27Å; M517-L522 HydrophobicContact SD-CG 4.18Å; S518-L522 PolarHBondContact O-N 2.72Å; T520-L522 PolarHBondContact O-N 2.89Å; L522-P533 HydrophobicContact CD2-CB 3.85Å; L522-P533 HydrophobicContact CD2-CG 3.98Å; L522-V615 HydrophobicContact CD1-CB 4.31Å; L522-V615 HydrophobicContact CD1-CG1 3.49Å; L522-V615 VanDerWaalsContact CD1-CG1 3.49Å; L522-V615 HydrophobicContact CD1-CG2 3.79Å; L522-V615 HydrophobicContact CG-CG1 4.05Å
523	S	58	Low	65.7	Low	73 Å²	73	66.8 Å²	66.8	51%	0.51	39%	0.386	S	S	.	.	H	α-helix	trans	-96.7	-29.1	178.2	-57.9	0	0	0	0	112.9	A519 T520 F521 R526	A519-S523 WeakPolarHBondContact O-CB 3.39Å; A519-S523 PolarHBondContact O-N 3.32Å; A519-S523 PolarHBondContact O-OG 2.67Å; T520-S523 CarbonylContact O-C 3.47Å; T520-S523 WeakPolarHBondContact O-CA 3.17Å; T520-S523 VanDerWaalsContact O-CB 3.31Å; T520-S523 WeakPolarHBondContact O-CB 3.46Å; T520-S523 PolarHBondContact O-N 3.12Å; F521-S523 PolarHBondContact O-N 2.94Å; S523-R526 WeakPolarHBondContact O-CB 3.43Å; S523-R526 WeakPolarHBondContact O-CG 3.44Å
524	S	58.9	Low	64.8	Low	78 Å²	78	68.1 Å²	68.1	55%	0.545	39%	0.392	S	S	.	.	H	α-helix	trans	-77	-29.4	172.9	54.1	0	0	0	0	112.6	T520 F521 R526	T520-S524 PolarHBondContact O-N 3.36Å; T520-S524 PolarHBondContact O-OG 3.31Å; F521-S524 PolarHBondContact O-N 2.87Å; F521-S524 PolarHBondContact O-OG 2.93Å; S524-R526 PolarHBondContact O-N 2.97Å; S524-R526 VanDerWaalsContact O-N 3.14Å
525	L	58.6	Low	64.4	Low	36 Å²	36	64.1 Å²	64.1	19%	0.188	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	21.8	171.9	-80.2	168.6	0	0	0	114.9	F521 T527 P533 A650	F521-L525 HydrophobicContact CD1-CD1 3.88Å; F521-L525 HydrophobicContact CE1-CD1 3.21Å; F521-L525 HydrophobicContact CE1-CG 4.48Å; F521-L525 HydrophobicContact CE2-CD1 4.17Å; F521-L525 HydrophobicContact CZ-CD1 3.4Å; F521-L525 VanDerWaalsContact CZ-CD1 3.4Å; F521-L525 HydrophobicContact CZ-CG 4.5Å; F521-L525 PolarHBondContact O-N 2.82Å; L525-T527 VanDerWaalsContact C-N 3.27Å; L525-T527 PolarHBondContact O-N 2.91Å; L525-P533 HydrophobicContact CB-CG 3.62Å; L525-P533 HydrophobicContact CD1-CB 4.27Å; L525-P533 HydrophobicContact CD1-CG 4.13Å; L525-A650 HydrophobicContact CD1-CB 3.77Å; L525-A650 HydrophobicContact CD2-CB 4.06Å
526	R	52.7	Low	64.2	Low	192 Å²	192	66 Å²	66	73%	0.725	38%	0.384	S	S	*	.			trans	-80.2	67.7	-179.1	-72.7	-85.9	-77	-113.1	-8.9	112	S523 S524	S523-R526 WeakPolarHBondContact O-CB 3.43Å; S523-R526 WeakPolarHBondContact O-CG 3.44Å; S524-R526 PolarHBondContact O-N 2.97Å; S524-R526 VanDerWaalsContact O-N 3.14Å
527	T	48.1	Very low	64	Low	104 Å²	104	65.4 Å²	65.4	64%	0.638	38%	0.38	S	S	*	.			trans	-62.6	159.8	156.1	53.3	0	0	0	0	109.9	L525 D529	L525-T527 VanDerWaalsContact C-N 3.27Å; L525-T527 PolarHBondContact O-N 2.91Å; T527-D529 VanDerWaalsContact C-N 3.26Å; T527-D529 PolarHBondContact O-N 3.39Å; T527-D529 VanDerWaalsContact O-N 3.12Å
528	S	47.3	Very low	64.4	Low	116 Å²	116	65 Å²	65	81%	0.811	38%	0.378	S	S	*	.	S	Bend	trans	-66.5	-15.5	-163.2	44.6	0	0	0	0	116.2	T530	S528-T530 PolarHBondContact O-N 2.66Å
529	D	41.7	Very low	64.9	Low	123 Å²	123	65 Å²	65	66%	0.658	38%	0.377	S	S	*	.	S	Bend	trans	-96.6	85.1	-170.4	-88.6	-56.9	0	0	0	115.1	T527 S531	T527-D529 VanDerWaalsContact C-N 3.26Å; T527-D529 PolarHBondContact O-N 3.39Å; T527-D529 VanDerWaalsContact O-N 3.12Å; D529-S531 PolarHBondContact O-N 3.34Å; D529-S531 PolarHBondContact O-OG 2.91Å
530	T	43.7	Very low	66.1	Low	143 Å²	143	62.7 Å²	62.7	88%	0.877	36%	0.358	S	S	*	.	S	Bend	trans	39.4	21.4	141	-30.7	0	0	0	0	120.2	S528	S528-T530 PolarHBondContact O-N 2.66Å
531	S	52.1	Low	67.2	Low	98 Å²	98	60.3 Å²	60.3	69%	0.685	34%	0.341	S	S	*	.			trans	-144	138.5	174.3	64.4	0	0	0	0	111.2	D529	D529-S531 PolarHBondContact O-N 3.34Å; D529-S531 PolarHBondContact O-OG 2.91Å
532	Q	58.3	Low	68.2	Low	110 Å²	110	60.6 Å²	60.6	51%	0.514	34%	0.343	S	S	.	.			trans	-72.8	141.7	173	-65.3	176.5	-62.9	0	0	108.9	L534	Q532-L534 WeakPolarHBondContact O-CD2 3.45Å; Q532-L534 WeakPolarHBondContact O-CG 3.35Å; Q532-L534 PolarHBondContact O-N 2.98Å
533	P	63.4	Low	69.4	Low	14 Å²	14	61.1 Å²	61.1	9%	0.091	35%	0.346	C	S	.	.			trans	-56.3	133.3	176.5	-21	29	0	0	0	111.1	L522 L525 I647	L522-P533 HydrophobicContact CD2-CB 3.85Å; L522-P533 HydrophobicContact CD2-CG 3.98Å; L525-P533 HydrophobicContact CB-CG 3.62Å; L525-P533 HydrophobicContact CD1-CB 4.27Å; L525-P533 HydrophobicContact CD1-CG 4.13Å; P533-I647 HydrophobicContact CB-CG2 4.26Å
534	L	74.4	Confident	70.5	Confident	28 Å²	28	57.7 Å²	57.7	15%	0.147	32%	0.322	C	S	.	.			trans	-108	122.7	-173.5	-56.5	-175.2	0	0	0	109.5	Q532 R607 S648	Q532-L534 WeakPolarHBondContact O-CD2 3.45Å; Q532-L534 WeakPolarHBondContact O-CG 3.35Å; Q532-L534 PolarHBondContact O-N 2.98Å; L534-R607 VanDerWaalsContact CD2-CZ 3.5Å; L534-S648 PolarHBondContact O-N 3.2Å
535	C	82.2	Confident	71.3	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	106.9	176.8	-57.2	0	0	0	0	107.7	F496 M517 V538 R607 L608 E646 I647	F496-C535 HydrophobicContact CE1-CB 4.26Å; F496-C535 HydrophobicContact CZ-CB 3.9Å; M517-C535 HydrophobicContact CE-CB 3.76Å; M517-C535 WeakPolarHBondContact CE-SG 3.49Å; C535-V538 HydrophobicContact CB-CG2 4.45Å; C535-R607 CarbonylContact O-C 3.59Å; C535-R607 WeakPolarHBondContact O-CA 3.21Å; C535-L608 HydrophobicContact CB-CB 4.32Å; C535-L608 PolarHBondContact N-O 3.04Å; C535-L608 PolarHBondContact O-N 2.69Å; C535-E646 CarbonylContact C-O 3.57Å; C535-E646 WeakPolarHBondContact CA-O 3.18Å; C535-I647 HydrophobicContact CB-CG1 4.33Å; C535-I647 VanDerWaalsContact SG-CD1 3.57Å
536	E	86.9	Confident	71.8	Confident	42 Å²	42	54.7 Å²	54.7	20%	0.196	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	166.1	179.7	-54.2	-161.2	148.4	0	0	111.1	I49 V538 D606 R607 E646	I49-E536 HydrophobicContact CD1-CB 3.84Å; I49-E536 HydrophobicContact CD1-CG 3.84Å; E536-V538 PolarHBondContact O-N 3.41Å; E536-V538 VanDerWaalsContact O-N 3.17Å; E536-D606 WeakPolarHBondContact CA-O 3.44Å; E536-R607 HydrophobicContact CG-CG 4.35Å; E536-E646 PolarHBondContact N-O 3.13Å; E536-E646 PolarHBondContact O-N 3.23Å
537	N	86.1	Confident	72.6	Confident	43 Å²	43	49.7 Å²	49.7	23%	0.23	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	55.7	36.7	172.5	-55.4	-64	0	0	0	114	K50 V539 D606 E646	K50-N537 VanDerWaalsContact CE-ND2 3.29Å; K50-N537 WeakPolarHBondContact CE-ND2 3.45Å; K50-N537 WeakPolarHBondContact CE-OD1 3.43Å; N537-V539 PolarHBondContact O-N 3.44Å; N537-D606 PolarHBondContact N-O 2.77Å; N537-D606 VanDerWaalsContact N-O 3.09Å; N537-E646 PolarHBondContact ND2-OE2 3.47Å
538	V	90.6	Very high	73.7	Confident	1 Å²	1	45.1 Å²	45.1	1%	0.006	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	117	178.9	172.6	0	0	0	0	109.3	L515 C535 E536 R604 I605 L608 M643 E644 C645	L515-V538 HydrophobicContact CD2-CG1 4.11Å; C535-V538 HydrophobicContact CB-CG2 4.45Å; E536-V538 PolarHBondContact O-N 3.41Å; E536-V538 VanDerWaalsContact O-N 3.17Å; V538-R604 WeakPolarHBondContact O-CA 3.5Å; V538-I605 HydrophobicContact CB-CB 4.16Å; V538-I605 HydrophobicContact CG1-CB 4.45Å; V538-I605 HydrophobicContact CG1-CD1 4.1Å; V538-I605 PolarHBondContact N-O 3.01Å; V538-I605 VanDerWaalsContact N-O 3.08Å; V538-I605 PolarHBondContact O-N 2.96Å; V538-L608 HydrophobicContact CG2-CD1 4.16Å; V538-L608 HydrophobicContact CG2-CG 4.42Å; V538-M643 HydrophobicContact CG1-CE 3.91Å; V538-M643 HydrophobicContact CG1-SD 4.32Å; V538-E644 CarbonylContact C-O 3.58Å; V538-E644 WeakPolarHBondContact CA-O 3.49Å; V538-C645 HydrophobicContact CB-CB 4.24Å; V538-C645 HydrophobicContact CG2-CB 3.58Å
539	V	91.9	Very high	74.4	Confident	29 Å²	29	40 Å²	40	18%	0.176	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	119.3	179.8	179.4	0	0	0	0	109.3	N537 R541 V602 W603 R604 M643 E644	N537-V539 PolarHBondContact O-N 3.44Å; V539-R541 HydrophobicContact CG1-CG 4.12Å; V539-V602 HydrophobicContact CG1-CG1 3.56Å; V539-W603 CarbonylContact C-O 3.55Å; V539-W603 WeakPolarHBondContact CA-O 3.32Å; V539-R604 HydrophobicContact CG1-CG 4.39Å; V539-R604 HydrophobicContact CG2-CG 4.2Å; V539-M643 CarbonylContact O-C 3.4Å; V539-M643 VanDerWaalsContact O-CA 3.31Å; V539-M643 WeakPolarHBondContact O-CA 3.41Å; V539-E644 PolarHBondContact N-O 3.04Å; V539-E644 PolarHBondContact O-N 2.94Å
540	I	93.1	Very high	75	Confident	1 Å²	1	39 Å²	39	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	126	173.4	-65	168.1	0	0	0	108	L515 V542 V602 W603 V641 S642 M643	L515-I540 HydrophobicContact CB-CD1 4.23Å; L515-I540 HydrophobicContact CD1-CD1 4.44Å; L515-I540 HydrophobicContact CD2-CD1 4Å; L515-I540 HydrophobicContact CG-CD1 4.46Å; I540-V542 HydrophobicContact CG2-CG2 4.24Å; I540-V602 CarbonylContact O-C 3.5Å; I540-V602 WeakPolarHBondContact O-CA 3.17Å; I540-W603 HydrophobicContact CB-CB 4.35Å; I540-W603 HydrophobicContact CB-CE3 4.22Å; I540-W603 HydrophobicContact CD1-CD2 4.37Å; I540-W603 HydrophobicContact CD1-CE3 3.6Å; I540-W603 HydrophobicContact CD1-CZ3 3.72Å; I540-W603 HydrophobicContact CG1-CE3 4.46Å; I540-W603 HydrophobicContact CG2-CE3 4.44Å; I540-W603 PolarHBondContact N-O 3.18Å; I540-W603 PolarHBondContact O-N 2.9Å; I540-V641 HydrophobicContact CG2-CG1 3.59Å; I540-S642 CarbonylContact C-O 3.53Å; I540-S642 WeakPolarHBondContact CA-O 3.4Å; I540-M643 HydrophobicContact CD1-SD 3.93Å; I540-M643 HydrophobicContact CG1-CB 3.96Å; I540-M643 HydrophobicContact CG1-CG 3.75Å; I540-M643 HydrophobicContact CG1-SD 3.78Å
541	R	91.6	Very high	75	Confident	24 Å²	24	35.8 Å²	35.8	9%	0.091	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	109.8	-180	-34.7	-179.7	-169.6	175.2	-0.4	108.6	H350 E354 V539 A600 S642 E644	H350-R541 PolarHBondContact CE1-NH1 2.93Å; H350-R541 PolarHBondContact NE2-NH1 2.84Å; E354-R541 IonicContact OE1-NH1 3.16Å; E354-R541 IonicContact OE1-NH2 2.7Å; V539-R541 HydrophobicContact CG1-CG 4.12Å; R541-A600 HydrophobicContact CB-CB 4.34Å; R541-S642 WeakPolarHBondContact CB-OG 3.3Å; R541-S642 PolarHBondContact N-O 3.24Å; R541-S642 PolarHBondContact O-N 2.69Å; R541-E644 IonicContact CZ-OE2 3.55Å; R541-E644 VanDerWaalsContact CZ-OE2 3.29Å; R541-E644 IonicContact NE-OE2 3.57Å; R541-E644 PolarHBondContact NE-OE2 2.94Å; R541-E644 IonicContact NH2-OE1 2.78Å; R541-E644 PolarHBondContact NH2-OE1 3.47Å; R541-E644 IonicContact NH2-OE2 3.73Å; R541-E644 PolarHBondContact NH2-OE2 2.79Å
542	V	89.8	Confident	74.4	Confident	8 Å²	8	32.6 Å²	32.6	5%	0.048	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	117.6	176.8	-178.3	0	0	0	0	108.9	A513 I540 V544 A600 I601 F621 V641	A513-V542 HydrophobicContact CB-CG2 4.43Å; I540-V542 HydrophobicContact CG2-CG2 4.24Å; V542-V544 PolarHBondContact O-N 2.63Å; V542-A600 CarbonylContact O-C 3.58Å; V542-A600 WeakPolarHBondContact O-CA 3.31Å; V542-A600 VanDerWaalsContact O-CB 3.27Å; V542-A600 WeakPolarHBondContact O-CB 3.35Å; V542-I601 PolarHBondContact N-O 3.18Å; V542-I601 PolarHBondContact O-N 3.47Å; V542-F621 HydrophobicContact CG2-CD1 4.43Å; V542-F621 HydrophobicContact CG2-CE1 4.18Å; V542-V641 HydrophobicContact CB-CG2 4.32Å; V542-V641 HydrophobicContact CG1-CG2 4.13Å; V542-V641 HydrophobicContact CG2-CG1 4.12Å; V542-V641 HydrophobicContact CG2-CG2 4.02Å
543	P	87.6	Confident	73.5	Confident	20 Å²	20	33.2 Å²	33.2	13%	0.13	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	130.6	-175.3	27.6	-34.7	0	0	0	111.2	W637 Y638 F640	P543-W637 HydrophobicContact CG-CZ2 3.94Å; P543-W637 VanDerWaalsContact O-CZ2 3.31Å; P543-W637 WeakPolarHBondContact O-CZ2 3.5Å; P543-W637 PolarHBondContact O-NE1 2.9Å; P543-Y638 HydrophobicContact CG-CD1 4.29Å; P543-F640 WeakPolarHBondContact CD-O 3.32Å; P543-F640 WeakPolarHBondContact CG-O 3.33Å
544	V	82.3	Confident	72.1	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.006	21%	0.21	C	C	.	.			trans	-144	112.4	179.8	176.6	0	0	0	0	108.5	L511 V542 G546 W548 V549 Y594 S599 I601 L625	L511-V544 HydrophobicContact CD1-CG2 3.44Å; L511-V544 VanDerWaalsContact CD1-CG2 3.44Å; V542-V544 PolarHBondContact O-N 2.63Å; V544-G546 PolarHBondContact O-N 3.1Å; V544-W548 HydrophobicContact CG1-CB 4.44Å; V544-W548 HydrophobicContact CG1-CE3 4.05Å; V544-V549 HydrophobicContact CG1-CG2 3.78Å; V544-Y594 HydrophobicContact CB-CE2 4.43Å; V544-S599 CarbonylContact C-O 3.47Å; V544-S599 PolarHBondContact N-O 3Å; V544-S599 CarbonylContact O-C 3.53Å; V544-I601 HydrophobicContact CB-CG1 4.35Å; V544-I601 HydrophobicContact CG2-CD1 3.76Å; V544-I601 HydrophobicContact CG2-CG1 3.79Å; V544-L625 HydrophobicContact CG1-CD1 3.96Å
545	P	75.3	Confident	70.3	Confident	32 Å²	32	40.8 Å²	40.8	21%	0.208	23%	0.226	C	C	.	.			trans	-51.4	133.5	175.6	-28.8	36.1	0	0	0	112.3	D547 W548	P545-D547 PolarHBondContact O-N 3.24Å; P545-D547 VanDerWaalsContact O-N 3.11Å; P545-W548 HydrophobicContact CB-CD2 4.29Å; P545-W548 HydrophobicContact CB-CG 4.27Å; P545-W548 HydrophobicContact CG-CD2 4.1Å; P545-W548 HydrophobicContact CG-CE3 4.49Å; P545-W548 HydrophobicContact CG-CH2 4.32Å; P545-W548 HydrophobicContact CG-CZ2 3.94Å; P545-W548 WeakPolarHBondContact O-CB 3.43Å; P545-W548 PolarHBondContact O-N 2.82Å; P545-W548 VanDerWaalsContact O-N 3.12Å
546	G	69.2	Low	68.2	Low	20 Å²	20	45.8 Å²	45.8	21%	0.206	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-61	-23.9	-175.8	0	0	0	0	0	114.1	V544 V549 Y594	V544-G546 PolarHBondContact O-N 3.1Å; G546-V549 WeakPolarHBondContact O-CB 3.07Å; G546-V549 PolarHBondContact O-N 3.43Å; G546-Y594 VanDerWaalsContact CA-OH 3.3Å; G546-Y594 WeakPolarHBondContact CA-OH 3.42Å
547	D	68.1	Low	66.1	Low	87 Å²	87	50.4 Å²	50.4	47%	0.465	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-67.7	-37.9	176.8	-60.6	-78.6	0	0	0	113	P545 V549 K550 Q631	P545-D547 PolarHBondContact O-N 3.24Å; P545-D547 VanDerWaalsContact O-N 3.11Å; D547-V549 PolarHBondContact O-N 2.92Å; D547-V549 VanDerWaalsContact O-N 3.13Å; D547-K550 WeakPolarHBondContact O-CB 3.35Å; D547-K550 WeakPolarHBondContact O-CD 3.33Å; D547-K550 WeakPolarHBondContact O-CG 3.45Å; D547-K550 PolarHBondContact O-N 2.8Å; D547-K550 WeakPolarHBondContact OD1-CE 3.42Å; D547-K550 IonicContact OD1-NZ 2.68Å; D547-K550 PolarHBondContact OD1-NZ 2.77Å; D547-Q631 PolarHBondContact O-OE1 3.18Å
548	W	71.3	Confident	64	Low	7 Å²	7	52.4 Å²	52.4	3%	0.027	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-62.7	-18.1	173.3	-59.1	-3.7	0	0	0	112.5	V544 P545 L625 L627 E632 I633 W637	V544-W548 HydrophobicContact CG1-CB 4.44Å; V544-W548 HydrophobicContact CG1-CE3 4.05Å; P545-W548 HydrophobicContact CB-CD2 4.29Å; P545-W548 HydrophobicContact CB-CG 4.27Å; P545-W548 HydrophobicContact CG-CD2 4.1Å; P545-W548 HydrophobicContact CG-CE3 4.49Å; P545-W548 HydrophobicContact CG-CH2 4.32Å; P545-W548 HydrophobicContact CG-CZ2 3.94Å; P545-W548 WeakPolarHBondContact O-CB 3.43Å; P545-W548 PolarHBondContact O-N 2.82Å; P545-W548 VanDerWaalsContact O-N 3.12Å; W548-L625 HydrophobicContact CB-CD1 4.47Å; W548-L625 HydrophobicContact CE3-CD1 4.25Å; W548-L627 HydrophobicContact CB-CD2 3.68Å; W548-L627 HydrophobicContact CD2-CD2 3.89Å; W548-L627 HydrophobicContact CG-CD2 3.47Å; W548-L627 VanDerWaalsContact CG-CD2 3.47Å; W548-E632 PolarHBondContact NE1-O 3.37Å; W548-I633 HydrophobicContact CH2-CG2 4.2Å; W548-I633 HydrophobicContact CZ2-CB 4.23Å; W548-I633 HydrophobicContact CZ2-CG1 4.07Å; W548-I633 HydrophobicContact CZ2-CG2 4Å; W548-W637 AromaticContact CH2-CD1 3.95Å; W548-W637 HydrophobicContact CH2-CD2 4.3Å; W548-W637 HydrophobicContact CH2-CG 4.2Å; W548-W637 AromaticContact CH2-NE1 3.94Å
549	V	62.8	Low	61.6	Low	9 Å²	9	63.4 Å²	63.4	6%	0.055	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-91.3	-8.8	-175.4	-172.4	0	0	0	0	112	V544 G546 D547 V551 T552 Y594	V544-V549 HydrophobicContact CG1-CG2 3.78Å; G546-V549 WeakPolarHBondContact O-CB 3.07Å; G546-V549 PolarHBondContact O-N 3.43Å; D547-V549 PolarHBondContact O-N 2.92Å; D547-V549 VanDerWaalsContact O-N 3.13Å; V549-V551 VanDerWaalsContact C-N 3.28Å; V549-V551 PolarHBondContact O-N 2.75Å; V549-T552 WeakPolarHBondContact CG1-OG1 3.31Å; V549-T552 WeakPolarHBondContact O-CB 3.49Å; V549-T552 PolarHBondContact O-N 3.12Å; V549-T552 PolarHBondContact O-OG1 2.9Å; V549-Y594 HydrophobicContact CB-CD1 4.47Å; V549-Y594 HydrophobicContact CB-CE1 4.32Å; V549-Y594 HydrophobicContact CG1-CD1 3.72Å; V549-Y594 HydrophobicContact CG1-CE1 4.01Å; V549-Y594 HydrophobicContact CG1-CG 4.04Å; V549-Y594 HydrophobicContact CG2-CD1 4.33Å; V549-Y594 HydrophobicContact CG2-CD2 3.96Å; V549-Y594 HydrophobicContact CG2-CE1 4.18Å; V549-Y594 HydrophobicContact CG2-CE2 3.83Å; V549-Y594 HydrophobicContact CG2-CG 4.22Å
550	K	54.7	Low	59.1	Low	101 Å²	101	68.6 Å²	68.6	44%	0.439	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-54.7	-39.4	-177.3	-73.3	171.2	-175.8	160.7	0	113.3	D547 T552 Q553	D547-K550 WeakPolarHBondContact O-CB 3.35Å; D547-K550 WeakPolarHBondContact O-CD 3.33Å; D547-K550 WeakPolarHBondContact O-CG 3.45Å; D547-K550 PolarHBondContact O-N 2.8Å; D547-K550 WeakPolarHBondContact OD1-CE 3.42Å; D547-K550 IonicContact OD1-NZ 2.68Å; D547-K550 PolarHBondContact OD1-NZ 2.77Å; K550-T552 PolarHBondContact O-N 2.83Å; K550-T552 VanDerWaalsContact O-N 3.15Å; K550-Q553 PolarHBondContact O-N 2.7Å
551	V	43.7	Very low	56.3	Low	76 Å²	76	79.3 Å²	79.3	46%	0.461	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-59.1	-27	178.1	-175.4	0	0	0	0	112.3	V549	V549-V551 VanDerWaalsContact C-N 3.28Å; V549-V551 PolarHBondContact O-N 2.75Å
552	T	39	Very low	53.6	Low	31 Å²	31	81.4 Å²	81.4	19%	0.19	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	-86.3	-16.1	-174.8	73.2	0	0	0	0	115	V549 K550 T554 L558	V549-T552 WeakPolarHBondContact CG1-OG1 3.31Å; V549-T552 WeakPolarHBondContact O-CB 3.49Å; V549-T552 PolarHBondContact O-N 3.12Å; V549-T552 PolarHBondContact O-OG1 2.9Å; K550-T552 PolarHBondContact O-N 2.83Å; K550-T552 VanDerWaalsContact O-N 3.15Å; T552-T554 VanDerWaalsContact C-N 3.32Å; T552-T554 PolarHBondContact O-N 2.92Å; T552-L558 HydrophobicContact CG2-CD1 4.18Å
553	Q	39.5	Very low	51.1	Low	123 Å²	123	88.9 Å²	88.9	58%	0.575	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-20.2	-177.3	-64.4	-167.9	13.6	0	0	113.2	K550 V555	K550-Q553 PolarHBondContact O-N 2.7Å; Q553-V555 PolarHBondContact O-N 2.83Å; Q553-V555 VanDerWaalsContact O-N 3.09Å
554	T	34.8	Very low	48.5	Very low	121 Å²	121	96.7 Å²	96.7	74%	0.742	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-12	-173.8	-42.5	0	0	0	0	114.2	T552	T552-T554 VanDerWaalsContact C-N 3.32Å; T552-T554 PolarHBondContact O-N 2.92Å
555	V	35.8	Very low	46.1	Very low	81 Å²	81	101.5 Å²	101.5	49%	0.491	54%	0.536	S	S	.	.			trans	-138.5	124.1	-176.2	-140.8	0	0	0	0	114.4	Q553 L557 L558	Q553-V555 PolarHBondContact O-N 2.83Å; Q553-V555 VanDerWaalsContact O-N 3.09Å; V555-L557 HydrophobicContact CB-CB 4.45Å; V555-L557 HydrophobicContact CG1-CB 4.15Å; V555-L557 HydrophobicContact CG1-CD1 3.82Å; V555-L557 HydrophobicContact CG1-CG 3.73Å; V555-L557 PolarHBondContact O-N 2.83Å; V555-L558 PolarHBondContact O-N 3.26Å
556	A	38.4	Very low	43.9	Very low	104 Å²	104	111.4 Å²	111.4	86%	0.86	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-64.4	5.2	172.7	0	0	0	0	0	115
557	L	42.7	Very low	42	Very low	140 Å²	140	118 Å²	118	73%	0.733	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-77.1	-21.4	176.7	-66.2	178.3	0	0	0	113.5	V555 R559	V555-L557 HydrophobicContact CB-CB 4.45Å; V555-L557 HydrophobicContact CG1-CB 4.15Å; V555-L557 HydrophobicContact CG1-CD1 3.82Å; V555-L557 HydrophobicContact CG1-CG 3.73Å; V555-L557 PolarHBondContact O-N 2.83Å; L557-R559 PolarHBondContact O-N 3.17Å; L557-R559 VanDerWaalsContact O-N 3.15Å
558	L	41.1	Very low	40.2	Very low	85 Å²	85	120.5 Å²	120.5	45%	0.445	61%	0.61	S	S	.	*	G	3₁₀ helix	trans	-73.3	-0.6	-179.3	-95.1	166.1	0	0	0	114.7	T552 V555 Q560	T552-L558 HydrophobicContact CG2-CD1 4.18Å; V555-L558 PolarHBondContact O-N 3.26Å; L558-Q560 PolarHBondContact O-N 3.08Å
559	R	41.5	Very low	38.5	Very low	232 Å²	232	130.5 Å²	130.5	88%	0.875	65%	0.648	S	S	*	*			trans	-76.3	46.5	162.7	-157.5	-178.1	-174.8	176.1	4.6	111.6	L557 R561	L557-R559 PolarHBondContact O-N 3.17Å; L557-R559 VanDerWaalsContact O-N 3.15Å; R559-R561 PolarHBondContact O-N 3.09Å
560	Q	38.6	Very low	36.8	Very low	138 Å²	138	135.6 Å²	135.6	65%	0.645	67%	0.674	S	S	*	*			trans	-60.6	107.5	165.8	-71.7	-159.1	2.4	0	0	108.1	L558 S562	L558-Q560 PolarHBondContact O-N 3.08Å; Q560-S562 PolarHBondContact O-N 3.14Å
561	R	34.4	Very low	35.8	Very low	225 Å²	225	135.9 Å²	135.9	85%	0.849	70%	0.696	S	S	*	*			trans	-52.9	137.3	160.4	-64.1	175.8	177.9	177.7	-1.6	106.1	R559 L563	R559-R561 PolarHBondContact O-N 3.09Å; R561-L563 PolarHBondContact O-N 2.87Å
562	S	35	Very low	34.9	Very low	68 Å²	68	136.7 Å²	136.7	48%	0.476	70%	0.704	S	S	.	*			trans	-49.9	138.9	177.5	54.1	0	0	0	0	109.4	Q560 K564	Q560-S562 PolarHBondContact O-N 3.14Å; S562-K564 PolarHBondContact O-N 2.77Å
563	L	37.7	Very low	34.7	Very low	166 Å²	166	143.9 Å²	143.9	87%	0.869	74%	0.74	S	S	*	*			trans	-63	85.7	162.4	-72.8	172.9	0	0	0	106.2	R561 A565	R561-L563 PolarHBondContact O-N 2.87Å; L563-A565 PolarHBondContact O-N 2.84Å
564	K	32.3	Very low	34.3	Very low	183 Å²	183	141.9 Å²	141.9	80%	0.796	75%	0.753	S	S	*	*			trans	-42.2	129	163.3	-82.7	-165.9	173.9	-170.1	0	105.7	S562 R566	S562-K564 PolarHBondContact O-N 2.77Å; K564-R566 PolarHBondContact O-N 2.85Å
565	A	31.9	Very low	34	Very low	103 Å²	103	141.1 Å²	141.1	85%	0.851	75%	0.752	S	S	*	*			trans	-58.9	83.1	-177.5	0	0	0	0	0	111.2	L563 M567	L563-A565 PolarHBondContact O-N 2.84Å; A565-M567 PolarHBondContact O-N 2.91Å
566	R	29.2	Very low	33.6	Very low	239 Å²	239	144.3 Å²	144.3	90%	0.902	77%	0.772	S	S	*	*			trans	-69.9	82.2	157.9	-85.6	-163.2	173.9	-140.1	4	105.1	K564 N568	K564-R566 PolarHBondContact O-N 2.85Å; R566-N568 PolarHBondContact O-N 2.78Å
567	M	29	Very low	33.4	Very low	159 Å²	159	149.7 Å²	149.7	78%	0.783	77%	0.77	S	S	*	*			trans	-34.7	124	162.3	-179	177	70.9	0	0	108.6	A565 R569	A565-M567 PolarHBondContact O-N 2.91Å; M567-R569 PolarHBondContact O-N 3.12Å
568	N	31.7	Very low	33	Very low	139 Å²	139	147.5 Å²	147.5	74%	0.743	77%	0.771	S	S	*	*			trans	-66.5	91.2	-160.7	-174.3	-0.8	0	0	0	112.6	R566 N570	R566-N568 PolarHBondContact O-N 2.78Å; N568-N570 PolarHBondContact OD1-N 3.28Å
569	R	34.1	Very low	32.8	Very low	217 Å²	217	147.5 Å²	147.5	82%	0.819	78%	0.784	S	S	*	*			trans	-111.8	83.1	149.9	-80.3	-176.8	167.2	173.9	-5	107.6	M567	M567-R569 PolarHBondContact O-N 3.12Å
570	N	27.2	Very low	32.6	Very low	116 Å²	116	144 Å²	144	62%	0.62	78%	0.782	S	S	*	*				-170.6	118.9	99.7	-89.6	0.3	0	0	0	111.4	N568 C572	N568-N570 PolarHBondContact OD1-N 3.28Å; N570-C572 VanDerWaalsContact C-N 3.31Å; N570-C572 HydrophobicContact CB-CB 4.39Å; N570-C572 PolarHBondContact O-N 2.86Å; N570-C572 VanDerWaalsContact O-N 3.12Å
571	A	33.8	Very low	33	Very low	108 Å²	108	142.3 Å²	142.3	89%	0.893	79%	0.786	S	S	*	*			trans	-72	92.8	149.2	0	0	0	0	0	107.9
572	C	26.1	Very low	33.9	Very low	92 Å²	92	138.2 Å²	138.2	62%	0.622	78%	0.777	S	S	*	*			trans	-130.6	125.7	168.1	-67.6	0	0	0	0	108.2	N570	N570-C572 VanDerWaalsContact C-N 3.31Å; N570-C572 HydrophobicContact CB-CB 4.39Å; N570-C572 PolarHBondContact O-N 2.86Å; N570-C572 VanDerWaalsContact O-N 3.12Å
573	L	33.6	Very low	35	Very low	183 Å²	183	138 Å²	138	96%	0.958	77%	0.773	S	S	*	*			trans	-67	150.9	172.2	-72.4	76.2	0	0	0	109.6
574	G	31.9	Very low	36.6	Very low	81 Å²	81	132.7 Å²	132.7	84%	0.835	75%	0.748	S	S	*	*			trans	91.2	65.8	164.7	0	0	0	0	0	116.5
575	S	27.6	Very low	38.9	Very low	104 Å²	104	125.8 Å²	125.8	73%	0.727	72%	0.719	S	S	*	*			trans	-140	106.1	145.9	67.6	0	0	0	0	109.3	R577	S575-R577 PolarHBondContact O-N 2.84Å
576	V	28.8	Very low	41.4	Very low	149 Å²	149	126.9 Å²	126.9	90%	0.903	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-70.2	121.3	178.5	177.8	0	0	0	0	108.5
577	R	34.4	Very low	44.1	Very low	217 Å²	217	117.6 Å²	117.6	82%	0.819	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-93.6	148.8	162.1	-65.1	-177.4	178.3	-176	-0.4	108.1	S575 A579	S575-R577 PolarHBondContact O-N 2.84Å; R577-A579 PolarHBondContact O-N 2.95Å
578	A	33.3	Very low	46.9	Very low	93 Å²	93	113 Å²	113	77%	0.769	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-58	135.7	163.5	0	0	0	0	0	108.8
579	A	37.1	Very low	49.5	Very low	85 Å²	85	108.1 Å²	108.1	70%	0.702	63%	0.633	S	S	*	*	S	Bend	trans	-80.9	-28	-153.9	0	0	0	0	0	114.8	R577	R577-A579 PolarHBondContact O-N 2.95Å
580	D	36.4	Very low	51.9	Low	158 Å²	158	99 Å²	99	85%	0.845	61%	0.607	S	S	*	*	S	Bend	trans	-107.6	15	-147.8	-47	-69.1	0	0	0	115.7
581	S	47.4	Very low	54.8	Low	104 Å²	104	95.1 Å²	95.1	73%	0.727	59%	0.588	S	S	*	*			trans	-117.6	95.8	175.1	41.3	0	0	0	0	111.9
582	Q	54.2	Low	57.3	Low	139 Å²	139	91.3 Å²	91.3	65%	0.65	55%	0.554	S	S	*	*			trans	-67.2	145.9	164.5	-67.6	-169.6	4.5	0	0	109.8	V584	Q582-V584 PolarHBondContact O-N 3.36Å
583	P	57.3	Low	60.1	Low	62 Å²	62	92.3 Å²	92.3	40%	0.403	55%	0.548	S	S	.	.			trans	-69.1	125.6	177.7	28.7	-34	0	0	0	111.1	M585 Q586	P583-M585 PolarHBondContact O-N 3.38Å; P583-M585 VanDerWaalsContact O-N 3.1Å; P583-Q586 HydrophobicContact CG-CB 4.48Å
584	V	71.3	Confident	62.5	Low	55 Å²	55	85.2 Å²	85.2	33%	0.333	51%	0.509	S	S	.	.	S	Bend	trans	-53.9	-28.9	177.3	173.2	0	0	0	0	112.8	Q582 C623 K624 L625	Q582-V584 PolarHBondContact O-N 3.36Å; V584-C623 CarbonylContact O-C 3.56Å; V584-C623 WeakPolarHBondContact O-CA 3.43Å; V584-C623 PolarHBondContact O-SG 3.33Å; V584-K624 PolarHBondContact O-N 2.64Å; V584-L625 HydrophobicContact CG1-CD2 4.42Å
585	M	81.5	Confident	65	Low	38 Å²	38	81.9 Å²	81.9	19%	0.187	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	130.4	172.9	-63.7	-179.6	-173.6	0	0	110	P583 V592 I601 S622 C623	P583-M585 PolarHBondContact O-N 3.38Å; P583-M585 VanDerWaalsContact O-N 3.1Å; M585-V592 HydrophobicContact CB-CG1 4.18Å; M585-I601 HydrophobicContact CE-CD1 3.8Å; M585-I601 HydrophobicContact CE-CG1 4.12Å; M585-I601 HydrophobicContact SD-CG2 4.48Å; M585-S622 WeakPolarHBondContact CA-O 3.31Å; M585-C623 HydrophobicContact CG-CB 3.99Å
586	Q	83.4	Confident	67.5	Low	127 Å²	127	80.9 Å²	80.9	59%	0.593	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.8	143.8	175.2	179.4	169.8	-27.3	0	0	110	P583 F621 S622	P583-Q586 HydrophobicContact CG-CB 4.48Å; Q586-F621 WeakPolarHBondContact O-CA 3.29Å; Q586-F621 WeakPolarHBondContact O-CD2 3.45Å; Q586-S622 PolarHBondContact N-O 2.93Å; Q586-S622 PolarHBondContact O-N 2.82Å; Q586-S622 VanDerWaalsContact O-O 3.13Å
587	V	86.7	Confident	70	Confident	43 Å²	43	74.3 Å²	74.3	26%	0.261	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	143.2	-179.5	73.7	0	0	0	0	111.1	I589 V592 W603 S620 F621	V587-I589 WeakPolarHBondContact CG2-O 3.32Å; V587-V592 HydrophobicContact CB-CG1 4.23Å; V587-V592 HydrophobicContact CG1-CG1 4.17Å; V587-W603 HydrophobicContact CG2-CD2 4.1Å; V587-W603 VanDerWaalsContact CG2-CE2 3.46Å; V587-W603 HydrophobicContact CG2-CG 4.21Å; V587-W603 HydrophobicContact CG2-CZ2 3.89Å; V587-S620 CarbonylContact C-O 3.56Å; V587-S620 WeakPolarHBondContact CA-O 3.4Å; V587-F621 HydrophobicContact CG2-CB 4.29Å
588	S	86.6	Confident	72.3	Confident	62 Å²	62	66 Å²	66	43%	0.434	39%	0.387	S	S	.	.	S	Bend	trans	-76.1	-31.2	179.6	67.8	0	0	0	0	113.3	H619 S620	S588-H619 VanDerWaalsContact OG-CA 3.3Å; S588-H619 WeakPolarHBondContact OG-CA 3.48Å; S588-H619 WeakPolarHBondContact OG-CB 3.42Å; S588-S620 PolarHBondContact N-O 2.84Å; S588-S620 PolarHBondContact OG-N 2.86Å; S588-S620 PolarHBondContact OG-O 2.81Å
589	I	85.8	Confident	74.7	Confident	37 Å²	37	64.5 Å²	64.5	19%	0.19	37%	0.371	C	S	.	.	S	Bend	trans	-152.5	152.6	-174.7	-169.9	168.8	0	0	0	112.3	V587 W603 I605 L608 A610 H619	V587-I589 WeakPolarHBondContact CG2-O 3.32Å; I589-W603 HydrophobicContact CG2-CZ2 4.12Å; I589-W603 PolarHBondContact O-NE1 2.87Å; I589-I605 HydrophobicContact CD1-CG2 4.08Å; I589-I605 HydrophobicContact CG1-CG2 4.09Å; I589-I605 HydrophobicContact CG2-CD1 3.83Å; I589-I605 HydrophobicContact CG2-CG1 4.09Å; I589-I605 HydrophobicContact CG2-CG2 4.19Å; I589-L608 HydrophobicContact CD1-CD2 4.23Å; I589-A610 HydrophobicContact CD1-CB 3.37Å; I589-H619 HydrophobicContact CG2-CB 4.06Å
590	G	86.4	Confident	77.1	Confident	26 Å²	26	60.6 Å²	60.6	27%	0.268	34%	0.339	S	S	.	.	S	Bend	trans	82.5	-136.6	172.7	0	0	0	0	0	113.1	R604	G590-R604 CarbonylContact C-O 3.58Å; G590-R604 WeakPolarHBondContact CA-O 3.4Å
591	S	86.7	Confident	79.5	Confident	34 Å²	34	53.2 Å²	53.2	24%	0.238	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	147.7	174.6	68.7	0	0	0	0	111.6	R604	S591-R604 PolarHBondContact N-O 3.41Å; S591-R604 PolarHBondContact O-N 3.29Å
592	V	85.9	Confident	81.5	Confident	28 Å²	28	48.3 Å²	48.3	17%	0.17	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	138.8	178.7	64.1	0	0	0	0	110.4	M585 V587 I601 W603 F621	M585-V592 HydrophobicContact CB-CG1 4.18Å; V587-V592 HydrophobicContact CB-CG1 4.23Å; V587-V592 HydrophobicContact CG1-CG1 4.17Å; V592-I601 HydrophobicContact CG2-CG2 3.26Å; V592-W603 HydrophobicContact CG2-CB 4.3Å; V592-F621 HydrophobicContact CB-CD2 4.49Å; V592-F621 HydrophobicContact CG1-CD2 4.5Å; V592-F621 HydrophobicContact CG2-CD2 3.92Å; V592-F621 HydrophobicContact CG2-CE2 3.66Å; V592-F621 HydrophobicContact CG2-CZ 4.38Å
593	K	86.4	Confident	83.3	Confident	114 Å²	114	41.8 Å²	41.8	50%	0.496	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	143.8	179.1	-60.8	177.9	-170.8	160.7	0	110.3	V602	K593-V602 PolarHBondContact N-O 3.46Å; K593-V602 VanDerWaalsContact N-O 3.12Å; K593-V602 PolarHBondContact O-N 3.36Å
594	Y	83.9	Confident	84.9	Confident	34 Å²	34	41.7 Å²	41.7	13%	0.133	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	135.2	160.7	-179.8	-105	0	0	0	110.9	K310 V544 G546 V549 N596 A600 I601	K310-Y594 PolarHBondContact NZ-O 3.34Å; V544-Y594 HydrophobicContact CB-CE2 4.43Å; G546-Y594 VanDerWaalsContact CA-OH 3.3Å; G546-Y594 WeakPolarHBondContact CA-OH 3.42Å; V549-Y594 HydrophobicContact CB-CD1 4.47Å; V549-Y594 HydrophobicContact CB-CE1 4.32Å; V549-Y594 HydrophobicContact CG1-CD1 3.72Å; V549-Y594 HydrophobicContact CG1-CE1 4.01Å; V549-Y594 HydrophobicContact CG1-CG 4.04Å; V549-Y594 HydrophobicContact CG2-CD1 4.33Å; V549-Y594 HydrophobicContact CG2-CD2 3.96Å; V549-Y594 HydrophobicContact CG2-CE1 4.18Å; V549-Y594 HydrophobicContact CG2-CE2 3.83Å; V549-Y594 HydrophobicContact CG2-CG 4.22Å; Y594-N596 HydrophobicContact CE1-CB 3.7Å; Y594-N596 WeakPolarHBondContact CE1-OD1 3.48Å; Y594-N596 PolarHBondContact OH-OD1 3.12Å; Y594-A600 VanDerWaalsContact CD2-O 3.27Å; Y594-A600 WeakPolarHBondContact CD2-O 3.44Å; Y594-I601 HydrophobicContact CD2-CG1 4.25Å
595	E	83.3	Confident	85.8	Confident	10 Å²	10	39.3 Å²	39.3	5%	0.047	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	95.8	-178.6	-58.9	-76.8	-157.7	0	0	109	K310 V597 Y598 S599 A600 V602 R604	K310-E595 WeakPolarHBondContact CD-OE2 3.26Å; K310-E595 IonicContact NZ-OE2 3.75Å; K310-E595 PolarHBondContact NZ-OE2 3.19Å; E595-V597 PolarHBondContact O-N 3.09Å; E595-Y598 HydrophobicContact CB-CD2 3.75Å; E595-Y598 HydrophobicContact CB-CE2 4.42Å; E595-Y598 PolarHBondContact O-N 3.13Å; E595-S599 PolarHBondContact O-N 3.11Å; E595-A600 PolarHBondContact N-O 3.1Å; E595-V602 HydrophobicContact CB-CG2 3.88Å; E595-V602 HydrophobicContact CG-CB 3.92Å; E595-V602 HydrophobicContact CG-CG2 3.68Å; E595-R604 IonicContact OE1-CZ 2.98Å; E595-R604 VanDerWaalsContact OE1-CZ 3.3Å; E595-R604 IonicContact OE1-NH1 3.12Å; E595-R604 PolarHBondContact OE1-NH1 3.12Å; E595-R604 IonicContact OE1-NH2 3.03Å; E595-R604 PolarHBondContact OE1-NH2 2.84Å
596	N	79.8	Confident	86	Confident	84 Å²	84	43.6 Å²	43.6	45%	0.449	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-20	-171.4	-158.3	95.8	0	0	0	115.2	Y594 Y598 S599	Y594-N596 HydrophobicContact CE1-CB 3.7Å; Y594-N596 WeakPolarHBondContact CE1-OD1 3.48Å; Y594-N596 PolarHBondContact OH-OD1 3.12Å; N596-Y598 VanDerWaalsContact C-N 3.25Å; N596-Y598 PolarHBondContact O-N 2.87Å; N596-S599 PolarHBondContact O-N 3.08Å
597	V	82.6	Confident	86.1	Confident	10 Å²	10	41.4 Å²	41.4	6%	0.061	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-18.9	177.7	-142.4	0	0	0	0	112.5	V302 K310 L312 T348 H350 E595	V302-V597 HydrophobicContact CG1-CG2 4.28Å; K310-V597 HydrophobicContact CB-CG2 3.82Å; L312-V597 HydrophobicContact CB-CG1 4.18Å; L312-V597 HydrophobicContact CD1-CB 3.97Å; L312-V597 HydrophobicContact CD1-CG1 3.64Å; L312-V597 HydrophobicContact CG-CB 3.88Å; L312-V597 HydrophobicContact CG-CG1 3.66Å; L312-V597 HydrophobicContact CG-CG2 4.47Å; T348-V597 VanDerWaalsContact O-CG1 3.26Å; T348-V597 WeakPolarHBondContact O-CG1 3.45Å; H350-V597 WeakPolarHBondContact CB-O 3.38Å; E595-V597 PolarHBondContact O-N 3.09Å
598	Y	82.4	Confident	86	Confident	42 Å²	42	39.5 Å²	39.5	17%	0.165	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-1.7	172.8	-60.5	-81.8	0	0	0	112.6	V302 L312 H350 E595 N596 A600 V602	V302-Y598 HydrophobicContact CG2-CD2 4.5Å; V302-Y598 HydrophobicContact CG2-CE2 3.63Å; L312-Y598 HydrophobicContact CD1-CE1 4.36Å; L312-Y598 HydrophobicContact CD2-CE1 4.26Å; L312-Y598 HydrophobicContact CD2-CE2 4.07Å; L312-Y598 WeakPolarHBondContact CD2-OH 3.35Å; H350-Y598 AromaticContact CD2-CD1 3.25Å; H350-Y598 WeakPolarHBondContact CD2-CD1 3.48Å; H350-Y598 AromaticContact CD2-CE1 3.29Å; H350-Y598 WeakPolarHBondContact CD2-CE1 3.28Å; H350-Y598 AromaticContact CG-CD1 3.98Å; H350-Y598 AromaticContact NE2-CD1 3.46Å; H350-Y598 WeakPolarHBondContact NE2-CD1 3.44Å; H350-Y598 AromaticContact NE2-CE1 3.35Å; H350-Y598 VanDerWaalsContact NE2-CE1 3.35Å; H350-Y598 WeakPolarHBondContact NE2-CE1 3.24Å; E595-Y598 HydrophobicContact CB-CD2 3.75Å; E595-Y598 HydrophobicContact CB-CE2 4.42Å; E595-Y598 PolarHBondContact O-N 3.13Å; N596-Y598 VanDerWaalsContact C-N 3.25Å; N596-Y598 PolarHBondContact O-N 2.87Å; Y598-A600 WeakPolarHBondContact O-CB 2.92Å; Y598-A600 PolarHBondContact O-N 3.44Å; Y598-V602 HydrophobicContact CD2-CG2 4.08Å
599	S	83.7	Confident	85.7	Confident	62 Å²	62	37 Å²	37	43%	0.434	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	43.2	46	-166.5	-62.3	0	0	0	0	112.5	V544 E595 N596	V544-S599 CarbonylContact C-O 3.47Å; V544-S599 PolarHBondContact N-O 3Å; V544-S599 CarbonylContact O-C 3.53Å; E595-S599 PolarHBondContact O-N 3.11Å; N596-S599 PolarHBondContact O-N 3.08Å
600	A	86.8	Confident	85.3	Confident	4 Å²	4	36 Å²	36	3%	0.033	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	152.2	-168.3	0	0	0	0	0	113.2	R541 V542 Y594 E595 Y598 V602	R541-A600 HydrophobicContact CB-CB 4.34Å; V542-A600 CarbonylContact O-C 3.58Å; V542-A600 WeakPolarHBondContact O-CA 3.31Å; V542-A600 VanDerWaalsContact O-CB 3.27Å; V542-A600 WeakPolarHBondContact O-CB 3.35Å; Y594-A600 VanDerWaalsContact CD2-O 3.27Å; Y594-A600 WeakPolarHBondContact CD2-O 3.44Å; E595-A600 PolarHBondContact N-O 3.1Å; Y598-A600 WeakPolarHBondContact O-CB 2.92Å; Y598-A600 PolarHBondContact O-N 3.44Å; A600-V602 HydrophobicContact CB-CG2 4.47Å
601	I	87.8	Confident	84.7	Confident	2 Å²	2	43 Å²	43	1%	0.01	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	119.6	161.4	-61.5	173.2	0	0	0	107.9	L511 V542 V544 M585 V592 Y594 F621 C623	L511-I601 HydrophobicContact CD1-CD1 3.89Å; V542-I601 PolarHBondContact N-O 3.18Å; V542-I601 PolarHBondContact O-N 3.47Å; V544-I601 HydrophobicContact CB-CG1 4.35Å; V544-I601 HydrophobicContact CG2-CD1 3.76Å; V544-I601 HydrophobicContact CG2-CG1 3.79Å; M585-I601 HydrophobicContact CE-CD1 3.8Å; M585-I601 HydrophobicContact CE-CG1 4.12Å; M585-I601 HydrophobicContact SD-CG2 4.48Å; V592-I601 HydrophobicContact CG2-CG2 3.26Å; Y594-I601 HydrophobicContact CD2-CG1 4.25Å; I601-F621 HydrophobicContact CB-CZ 4.36Å; I601-F621 HydrophobicContact CD1-CZ 4Å; I601-F621 HydrophobicContact CG2-CE1 4.39Å; I601-F621 HydrophobicContact CG2-CE2 4.05Å; I601-F621 HydrophobicContact CG2-CZ 3.66Å; I601-C623 HydrophobicContact CD1-CB 4.06Å
602	V	89.1	Confident	84	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.012	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	108.1	-177.1	-172.7	0	0	0	0	109.7	V539 I540 K593 E595 Y598 A600 R604	V539-V602 HydrophobicContact CG1-CG1 3.56Å; I540-V602 CarbonylContact O-C 3.5Å; I540-V602 WeakPolarHBondContact O-CA 3.17Å; K593-V602 PolarHBondContact N-O 3.46Å; K593-V602 VanDerWaalsContact N-O 3.12Å; K593-V602 PolarHBondContact O-N 3.36Å; E595-V602 HydrophobicContact CB-CG2 3.88Å; E595-V602 HydrophobicContact CG-CB 3.92Å; E595-V602 HydrophobicContact CG-CG2 3.68Å; Y598-V602 HydrophobicContact CD2-CG2 4.08Å; A600-V602 HydrophobicContact CB-CG2 4.47Å; V602-R604 HydrophobicContact CG1-CG 3.86Å
603	W	92.1	Very high	83.4	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.008	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	124.5	170.8	176.4	21.1	0	0	0	108.9	A513 L515 V539 I540 V587 I589 V592 I605 H619 F621	A513-W603 HydrophobicContact CB-CZ3 4.39Å; L515-W603 HydrophobicContact CB-CH2 4.05Å; L515-W603 HydrophobicContact CB-CZ3 4.25Å; V539-W603 CarbonylContact C-O 3.55Å; V539-W603 WeakPolarHBondContact CA-O 3.32Å; I540-W603 HydrophobicContact CB-CB 4.35Å; I540-W603 HydrophobicContact CB-CE3 4.22Å; I540-W603 HydrophobicContact CD1-CD2 4.37Å; I540-W603 HydrophobicContact CD1-CE3 3.6Å; I540-W603 HydrophobicContact CD1-CZ3 3.72Å; I540-W603 HydrophobicContact CG1-CE3 4.46Å; I540-W603 HydrophobicContact CG2-CE3 4.44Å; I540-W603 PolarHBondContact N-O 3.18Å; I540-W603 PolarHBondContact O-N 2.9Å; V587-W603 HydrophobicContact CG2-CD2 4.1Å; V587-W603 VanDerWaalsContact CG2-CE2 3.46Å; V587-W603 HydrophobicContact CG2-CG 4.21Å; V587-W603 HydrophobicContact CG2-CZ2 3.89Å; I589-W603 HydrophobicContact CG2-CZ2 4.12Å; I589-W603 PolarHBondContact O-NE1 2.87Å; V592-W603 HydrophobicContact CG2-CB 4.3Å; W603-I605 HydrophobicContact CH2-CD1 4.46Å; W603-I605 HydrophobicContact CZ2-CD1 3.71Å; W603-I605 HydrophobicContact CZ2-CG1 4.35Å; W603-H619 HydrophobicContact CH2-CB 4Å; W603-H619 HydrophobicContact CZ2-CB 4.09Å; W603-F621 HydrophobicContact CD2-CB 4.06Å; W603-F621 HydrophobicContact CE3-CB 3.67Å; W603-F621 HydrophobicContact CH2-CB 4.4Å; W603-F621 HydrophobicContact CZ3-CB 3.87Å
604	R	90.4	Very high	82.8	Confident	60 Å²	60	48.2 Å²	48.2	23%	0.226	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	129.6	-177.8	-55.4	-173.3	176	99.4	-15.8	110.1	V538 V539 G590 S591 E595 V602	V538-R604 WeakPolarHBondContact O-CA 3.5Å; V539-R604 HydrophobicContact CG1-CG 4.39Å; V539-R604 HydrophobicContact CG2-CG 4.2Å; G590-R604 CarbonylContact C-O 3.58Å; G590-R604 WeakPolarHBondContact CA-O 3.4Å; S591-R604 PolarHBondContact N-O 3.41Å; S591-R604 PolarHBondContact O-N 3.29Å; E595-R604 IonicContact OE1-CZ 2.98Å; E595-R604 VanDerWaalsContact OE1-CZ 3.3Å; E595-R604 IonicContact OE1-NH1 3.12Å; E595-R604 PolarHBondContact OE1-NH1 3.12Å; E595-R604 IonicContact OE1-NH2 3.03Å; E595-R604 PolarHBondContact OE1-NH2 2.84Å; V602-R604 HydrophobicContact CG1-CG 3.86Å
605	I	90.1	Very high	82.2	Confident	4 Å²	4	47.9 Å²	47.9	2%	0.021	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	119.4	177.7	-46.6	168.5	0	0	0	108.1	L515 V538 I589 W603 R607 L608	L515-I605 HydrophobicContact CD2-CD1 3.77Å; V538-I605 HydrophobicContact CB-CB 4.16Å; V538-I605 HydrophobicContact CG1-CB 4.45Å; V538-I605 HydrophobicContact CG1-CD1 4.1Å; V538-I605 PolarHBondContact N-O 3.01Å; V538-I605 VanDerWaalsContact N-O 3.08Å; V538-I605 PolarHBondContact O-N 2.96Å; I589-I605 HydrophobicContact CD1-CG2 4.08Å; I589-I605 HydrophobicContact CG1-CG2 4.09Å; I589-I605 HydrophobicContact CG2-CD1 3.83Å; I589-I605 HydrophobicContact CG2-CG1 4.09Å; I589-I605 HydrophobicContact CG2-CG2 4.19Å; W603-I605 HydrophobicContact CH2-CD1 4.46Å; W603-I605 HydrophobicContact CZ2-CD1 3.71Å; W603-I605 HydrophobicContact CZ2-CG1 4.35Å; I605-R607 VanDerWaalsContact C-N 3.32Å; I605-R607 PolarHBondContact O-N 2.95Å; I605-L608 HydrophobicContact CD1-CD1 4.27Å; I605-L608 HydrophobicContact CG2-CD2 3.83Å; I605-L608 HydrophobicContact CG2-CG 4.09Å
606	D	86.8	Confident	81.9	Confident	129 Å²	129	52 Å²	52	69%	0.69	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62	-39.1	-172.4	-48.8	-34.7	0	0	0	112.5	E536 N537	E536-D606 WeakPolarHBondContact CA-O 3.44Å; N537-D606 PolarHBondContact N-O 2.77Å; N537-D606 VanDerWaalsContact N-O 3.09Å
607	R	86	Confident	81.9	Confident	80 Å²	80	52.6 Å²	52.6	30%	0.302	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	138.7	-175.8	179.6	-177.1	177.6	-78.5	12.8	112.8	L534 C535 E536 I605 P609	L534-R607 VanDerWaalsContact CD2-CZ 3.5Å; C535-R607 CarbonylContact O-C 3.59Å; C535-R607 WeakPolarHBondContact O-CA 3.21Å; E536-R607 HydrophobicContact CG-CG 4.35Å; I605-R607 VanDerWaalsContact C-N 3.32Å; I605-R607 PolarHBondContact O-N 2.95Å; R607-P609 PolarHBondContact NH1-O 3.45Å
608	L	83.5	Confident	82.1	Confident	4 Å²	4	55.9 Å²	55.9	2%	0.021	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	149.4	167.1	-63	179.7	0	0	0	111	L515 M517 C535 V538 I589 I605 H619	L515-L608 HydrophobicContact CD2-CD1 3.64Å; M517-L608 HydrophobicContact CE-CB 3.49Å; M517-L608 VanDerWaalsContact CE-CB 3.49Å; C535-L608 HydrophobicContact CB-CB 4.32Å; C535-L608 PolarHBondContact N-O 3.04Å; C535-L608 PolarHBondContact O-N 2.69Å; V538-L608 HydrophobicContact CG2-CD1 4.16Å; V538-L608 HydrophobicContact CG2-CG 4.42Å; I589-L608 HydrophobicContact CD1-CD2 4.23Å; I605-L608 HydrophobicContact CD1-CD1 4.27Å; I605-L608 HydrophobicContact CG2-CD2 3.83Å; I605-L608 HydrophobicContact CG2-CG 4.09Å; L608-H619 VanDerWaalsContact CD2-CD2 3.47Å; L608-H619 WeakPolarHBondContact CD2-CD2 3.29Å; L608-H619 VanDerWaalsContact CD2-NE2 3.3Å; L608-H619 WeakPolarHBondContact CD2-NE2 3.47Å
609	P	80.4	Confident	82.5	Confident	10 Å²	10	54.6 Å²	54.6	7%	0.065	29%	0.293	C	S	.	.	S	Bend	cis	-65	155.5	-9.4	29.1	-35.7	0	0	0	111.8	M517 R607 V615	M517-P609 HydrophobicContact SD-CB 4.33Å; R607-P609 PolarHBondContact NH1-O 3.45Å; P609-V615 HydrophobicContact CG-CG2 4.47Å
610	A	76.5	Confident	82.8	Confident	16 Å²	16	53.9 Å²	53.9	13%	0.132	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-72.6	154.4	-175.9	0	0	0	0	0	112.5	I589 N612 T613	I589-A610 HydrophobicContact CD1-CB 3.37Å; A610-N612 PolarHBondContact O-N 2.83Å; A610-N612 VanDerWaalsContact O-N 3.16Å; A610-T613 PolarHBondContact O-N 2.8Å; A610-T613 VanDerWaalsContact O-N 3.12Å
611	K	75.6	Confident	83	Confident	172 Å²	172	53.8 Å²	53.8	75%	0.748	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	116.8	-176	-66.9	-174.7	-179.7	-179.4	0	110.9
612	N	70.3	Confident	83	Confident	172 Å²	172	55 Å²	55	92%	0.92	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	33	-174.3	-36.1	-69.5	0	0	0	114.2	A610	A610-N612 PolarHBondContact O-N 2.83Å; A610-N612 VanDerWaalsContact O-N 3.16Å
613	T	73.9	Confident	82.8	Confident	55 Å²	55	54.9 Å²	54.9	34%	0.337	29%	0.294	S	S	.	.			trans	-121.7	148.3	174.7	-50.7	0	0	0	0	109.6	A610 H617	A610-T613 PolarHBondContact O-N 2.8Å; A610-T613 VanDerWaalsContact O-N 3.12Å; T613-H617 HydrophobicContact CG2-CB 3.55Å
614	A	74.7	Confident	82.4	Confident	58 Å²	58	58.9 Å²	58.9	48%	0.479	31%	0.312	S	S	.	.			trans	-66.3	155.4	173.4	0	0	0	0	0	111	D616 H617	A614-D616 VanDerWaalsContact C-N 3.35Å; A614-D616 VanDerWaalsContact CB-OD1 3.27Å; A614-D616 WeakPolarHBondContact CB-OD1 3.48Å; A614-H617 WeakPolarHBondContact O-CB 3.18Å; A614-H617 PolarHBondContact O-N 2.9Å
615	V	71.3	Confident	82.1	Confident	28 Å²	28	56.4 Å²	56.4	17%	0.17	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-42.3	-176.6	169.8	0	0	0	0	111.4	M517 A519 L522 P609 H617	M517-V615 HydrophobicContact CG-CG1 4.02Å; M517-V615 HydrophobicContact SD-CG1 4.11Å; A519-V615 HydrophobicContact CB-CG1 4.16Å; L522-V615 HydrophobicContact CD1-CB 4.31Å; L522-V615 HydrophobicContact CD1-CG1 3.49Å; L522-V615 VanDerWaalsContact CD1-CG1 3.49Å; L522-V615 HydrophobicContact CD1-CG2 3.79Å; L522-V615 HydrophobicContact CG-CG1 4.05Å; P609-V615 HydrophobicContact CG-CG2 4.47Å; V615-H617 VanDerWaalsContact C-N 3.3Å; V615-H617 PolarHBondContact O-N 2.76Å
616	D	75.4	Confident	81.7	Confident	95 Å²	95	61.2 Å²	61.2	51%	0.508	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	8.7	-175.3	62.8	-43.9	0	0	0	113.9	N516 A614 P618	N516-D616 VanDerWaalsContact OD1-C 3.24Å; N516-D616 PolarHBondContact OD1-O 3.44Å; N516-D616 VanDerWaalsContact OD1-O 3.1Å; A614-D616 VanDerWaalsContact C-N 3.35Å; A614-D616 VanDerWaalsContact CB-OD1 3.27Å; A614-D616 WeakPolarHBondContact CB-OD1 3.48Å; D616-P618 VanDerWaalsContact O-CD 3.26Å; D616-P618 WeakPolarHBondContact O-CD 3.31Å
617	H	81.1	Confident	81.2	Confident	97 Å²	97	55.7 Å²	55.7	45%	0.449	30%	0.296	S	S	.	.			trans	-74.5	113.6	-177.3	-175.5	62.2	0	0	0	110.7	T613 A614 V615 H619	T613-H617 HydrophobicContact CG2-CB 3.55Å; A614-H617 WeakPolarHBondContact O-CB 3.18Å; A614-H617 PolarHBondContact O-N 2.9Å; V615-H617 VanDerWaalsContact C-N 3.3Å; V615-H617 PolarHBondContact O-N 2.76Å; H617-H619 AromaticContact CD2-CE1 3.76Å; H617-H619 AromaticContact CD2-ND1 3.77Å; H617-H619 PolarHBondContact O-N 2.85Å; H617-H619 PolarHBondContact O-ND1 2.87Å
618	P	86.3	Confident	80.5	Confident	79 Å²	79	53 Å²	53	51%	0.513	29%	0.292	S	S	.	.			trans	-64.7	133.8	-176.8	27.2	-34.9	0	0	0	110.8	D616	D616-P618 VanDerWaalsContact O-CD 3.26Å; D616-P618 WeakPolarHBondContact O-CD 3.31Å
619	H	90	Very high	79.9	Confident	15 Å²	15	59.5 Å²	59.5	7%	0.069	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	148.7	172.1	-64.9	-18.4	0	0	0	109.8	F514 L515 S588 I589 W603 L608 H617	F514-H619 WeakPolarHBondContact CA-O 3.42Å; L515-H619 HydrophobicContact CB-CB 4.41Å; L515-H619 PolarHBondContact N-O 2.79Å; L515-H619 PolarHBondContact O-N 3.17Å; S588-H619 VanDerWaalsContact OG-CA 3.3Å; S588-H619 WeakPolarHBondContact OG-CA 3.48Å; S588-H619 WeakPolarHBondContact OG-CB 3.42Å; I589-H619 HydrophobicContact CG2-CB 4.06Å; W603-H619 HydrophobicContact CH2-CB 4Å; W603-H619 HydrophobicContact CZ2-CB 4.09Å; L608-H619 VanDerWaalsContact CD2-CD2 3.47Å; L608-H619 WeakPolarHBondContact CD2-CD2 3.29Å; L608-H619 VanDerWaalsContact CD2-NE2 3.3Å; L608-H619 WeakPolarHBondContact CD2-NE2 3.47Å; H617-H619 AromaticContact CD2-CE1 3.76Å; H617-H619 AromaticContact CD2-ND1 3.77Å; H617-H619 PolarHBondContact O-N 2.85Å; H617-H619 PolarHBondContact O-ND1 2.87Å
620	S	90.6	Very high	79.4	Confident	47 Å²	47	64.4 Å²	64.4	33%	0.329	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	151.1	-176.5	60.5	0	0	0	0	113.3	A513 V587 S588	A513-S620 CarbonylContact O-C 3.2Å; A513-S620 WeakPolarHBondContact O-CA 3.3Å; V587-S620 CarbonylContact C-O 3.56Å; V587-S620 WeakPolarHBondContact CA-O 3.4Å; S588-S620 PolarHBondContact N-O 2.84Å; S588-S620 PolarHBondContact OG-N 2.86Å; S588-S620 PolarHBondContact OG-O 2.81Å
621	F	90.9	Very high	79.1	Confident	3 Å²	3	64.8 Å²	64.8	1%	0.013	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	138.2	169.4	157.8	-108.3	0	0	0	108	Q512 A513 V542 Q586 V587 V592 I601 W603 C623	Q512-F621 WeakPolarHBondContact CA-O 3.38Å; A513-F621 HydrophobicContact CB-CB 4.43Å; A513-F621 HydrophobicContact CB-CD1 3.96Å; A513-F621 PolarHBondContact N-O 3.18Å; A513-F621 PolarHBondContact O-N 2.77Å; V542-F621 HydrophobicContact CG2-CD1 4.43Å; V542-F621 HydrophobicContact CG2-CE1 4.18Å; Q586-F621 WeakPolarHBondContact O-CA 3.29Å; Q586-F621 WeakPolarHBondContact O-CD2 3.45Å; V587-F621 HydrophobicContact CG2-CB 4.29Å; V592-F621 HydrophobicContact CB-CD2 4.49Å; V592-F621 HydrophobicContact CG1-CD2 4.5Å; V592-F621 HydrophobicContact CG2-CD2 3.92Å; V592-F621 HydrophobicContact CG2-CE2 3.66Å; V592-F621 HydrophobicContact CG2-CZ 4.38Å; I601-F621 HydrophobicContact CB-CZ 4.36Å; I601-F621 HydrophobicContact CD1-CZ 4Å; I601-F621 HydrophobicContact CG2-CE1 4.39Å; I601-F621 HydrophobicContact CG2-CE2 4.05Å; I601-F621 HydrophobicContact CG2-CZ 3.66Å; W603-F621 HydrophobicContact CD2-CB 4.06Å; W603-F621 HydrophobicContact CE3-CB 3.67Å; W603-F621 HydrophobicContact CH2-CB 4.4Å; W603-F621 HydrophobicContact CZ3-CB 3.87Å; F621-C623 HydrophobicContact CE1-CB 4.28Å; F621-C623 HydrophobicContact CE2-CB 3.71Å; F621-C623 HydrophobicContact CZ-CB 3.35Å
622	S	87.3	Confident	78.8	Confident	26 Å²	26	65 Å²	65	18%	0.182	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	140.5	166.6	162.1	0	0	0	0	108.9	E510 L511 M585 Q586	E510-S622 PolarHBondContact OE1-OG 2.89Å; L511-S622 CarbonylContact O-C 3.58Å; L511-S622 VanDerWaalsContact O-CA 3.3Å; L511-S622 WeakPolarHBondContact O-CA 3.47Å; M585-S622 WeakPolarHBondContact CA-O 3.31Å; Q586-S622 PolarHBondContact N-O 2.93Å; Q586-S622 PolarHBondContact O-N 2.82Å; Q586-S622 VanDerWaalsContact O-O 3.13Å
623	C	85.6	Confident	78.9	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	130.3	168.7	175.2	0	0	0	0	109.7	E510 L511 V584 M585 I601 F621	E510-C623 CarbonylContact C-O 3.57Å; E510-C623 WeakPolarHBondContact CA-O 3.48Å; L511-C623 HydrophobicContact CB-CB 4.42Å; L511-C623 PolarHBondContact N-O 2.83Å; L511-C623 PolarHBondContact O-N 2.84Å; V584-C623 CarbonylContact O-C 3.56Å; V584-C623 WeakPolarHBondContact O-CA 3.43Å; V584-C623 PolarHBondContact O-SG 3.33Å; M585-C623 HydrophobicContact CG-CB 3.99Å; I601-C623 HydrophobicContact CD1-CB 4.06Å; F621-C623 HydrophobicContact CE1-CB 4.28Å; F621-C623 HydrophobicContact CE2-CB 3.71Å; F621-C623 HydrophobicContact CZ-CB 3.35Å
624	K	84.3	Confident	78.7	Confident	87 Å²	87	58.4 Å²	58.4	38%	0.378	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	116.8	176.5	-65.4	-179.4	178.4	-174.1	0	108.6	E510 V584	E510-K624 HydrophobicContact CB-CG 4.25Å; E510-K624 VanDerWaalsContact CD-CE 3.49Å; E510-K624 HydrophobicContact CG-CG 3.85Å; E510-K624 WeakPolarHBondContact OE2-CE 3.46Å; E510-K624 IonicContact OE2-NZ 3.92Å; V584-K624 PolarHBondContact O-N 2.64Å
625	L	82.4	Confident	78.1	Confident	8 Å²	8	61.6 Å²	61.6	4%	0.042	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	144.2	175.3	-59.6	176.9	0	0	0	109.4	Y508 V509 L511 V544 W548 V584	Y508-L625 WeakPolarHBondContact CA-O 3.33Å; V509-L625 PolarHBondContact N-O 2.89Å; V509-L625 PolarHBondContact O-N 2.83Å; L511-L625 HydrophobicContact CD1-CD1 3.99Å; V544-L625 HydrophobicContact CG1-CD1 3.96Å; W548-L625 HydrophobicContact CB-CD1 4.47Å; W548-L625 HydrophobicContact CE3-CD1 4.25Å; V584-L625 HydrophobicContact CG1-CD2 4.42Å
626	E	81.8	Confident	77.6	Confident	104 Å²	104	66.4 Å²	66.4	49%	0.486	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	113.4	170.8	-179.5	169.3	-137.9	0	0	106.3	Y508	Y508-E626 HydrophobicContact CD1-CB 3.95Å; Y508-E626 HydrophobicContact CD1-CG 4.08Å; Y508-E626 HydrophobicContact CE1-CB 3.76Å; Y508-E626 VanDerWaalsContact CE1-CD 3.46Å; Y508-E626 HydrophobicContact CE1-CG 3.52Å; Y508-E626 WeakPolarHBondContact CE1-OE1 3.48Å; Y508-E626 VanDerWaalsContact CZ-OE1 3.23Å; Y508-E626 PolarHBondContact OH-OE1 2.71Å
627	L	76.9	Confident	77.3	Confident	14 Å²	14	62.5 Å²	62.5	7%	0.073	35%	0.354	C	S	.	.			trans	-79.2	141.8	-178.8	-61.3	-176.2	0	0	0	110.2	A507 V509 W548 Q631 I633	A507-L627 WeakPolarHBondContact O-CB 3.31Å; A507-L627 PolarHBondContact O-N 2.86Å; V509-L627 HydrophobicContact CG2-CD1 3.71Å; V509-L627 HydrophobicContact CG2-CG 4.03Å; W548-L627 HydrophobicContact CB-CD2 3.68Å; W548-L627 HydrophobicContact CD2-CD2 3.89Å; W548-L627 HydrophobicContact CG-CD2 3.47Å; W548-L627 VanDerWaalsContact CG-CD2 3.47Å; L627-Q631 HydrophobicContact CB-CB 4.09Å; L627-Q631 HydrophobicContact CD2-CB 4.49Å; L627-I633 HydrophobicContact CD1-CD1 4.11Å; L627-I633 HydrophobicContact CD1-CG1 3.63Å
628	G	72.6	Confident	76.7	Confident	22 Å²	22	63.5 Å²	63.5	23%	0.227	35%	0.354	C	S	.	.			trans	-66.2	159.3	169.2	0	0	0	0	0	111.6	D630 Q631	G628-D630 WeakPolarHBondContact CA-OD1 3.49Å; G628-D630 PolarHBondContact O-N 3.46Å; G628-Q631 WeakPolarHBondContact O-CB 3.35Å; G628-Q631 PolarHBondContact O-N 3.35Å
629	S	69.7	Low	76.3	Confident	141 Å²	141	61.8 Å²	61.8	99%	0.986	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-5.1	174.4	61	0	0	0	0	113.9
630	D	69.7	Low	76.2	Confident	113 Å²	113	62.7 Å²	62.7	60%	0.604	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-1.5	172.9	67	-42.5	0	0	0	113.2	G628	G628-D630 WeakPolarHBondContact CA-OD1 3.49Å; G628-D630 PolarHBondContact O-N 3.46Å
631	Q	70.8	Confident	76.2	Confident	24 Å²	24	60.5 Å²	60.5	11%	0.112	33%	0.332	C	S	.	.			trans	-117.6	95.1	-169.8	-71.5	153.6	51.5	0	0	111.4	D547 L627 G628	D547-Q631 PolarHBondContact O-OE1 3.18Å; L627-Q631 HydrophobicContact CB-CB 4.09Å; L627-Q631 HydrophobicContact CD2-CB 4.49Å; G628-Q631 WeakPolarHBondContact O-CB 3.35Å; G628-Q631 PolarHBondContact O-N 3.35Å
632	E	70.1	Confident	76.3	Confident	176 Å²	176	61.6 Å²	61.6	82%	0.822	34%	0.339	S	S	*	.			trans	-79.6	161.9	169.6	-63.1	-174	169.3	0	0	111.6	W548 P634	W548-E632 PolarHBondContact NE1-O 3.37Å; E632-P634 WeakPolarHBondContact O-CD 3.34Å
633	I	71.7	Confident	76.5	Confident	38 Å²	38	60.4 Å²	60.4	20%	0.195	33%	0.331	C	S	.	.			trans	-92.8	115	171.9	-61.2	175.7	0	0	0	107.4	V504 V509 W548 L627 S635 W688	V504-I633 HydrophobicContact CB-CD1 4.25Å; V504-I633 HydrophobicContact CG1-CD1 3.61Å; V504-I633 HydrophobicContact CG2-CD1 3.55Å; V509-I633 HydrophobicContact CG2-CD1 3.63Å; V509-I633 HydrophobicContact CG2-CG1 4.38Å; W548-I633 HydrophobicContact CH2-CG2 4.2Å; W548-I633 HydrophobicContact CZ2-CB 4.23Å; W548-I633 HydrophobicContact CZ2-CG1 4.07Å; W548-I633 HydrophobicContact CZ2-CG2 4Å; L627-I633 HydrophobicContact CD1-CD1 4.11Å; L627-I633 HydrophobicContact CD1-CG1 3.63Å; I633-S635 PolarHBondContact O-N 2.8Å; I633-W688 HydrophobicContact CB-CH2 4.23Å; I633-W688 HydrophobicContact CD1-CH2 4.09Å; I633-W688 HydrophobicContact CD1-CZ3 4.2Å; I633-W688 HydrophobicContact CG2-CH2 4.19Å
634	P	68.7	Low	76.8	Confident	52 Å²	52	62.6 Å²	62.6	34%	0.338	34%	0.341	S	S	.	.			trans	-61	134.7	-178.3	-22.2	33.5	0	0	0	111.4	E632 D636 W637	E632-P634 WeakPolarHBondContact O-CD 3.34Å; P634-D636 WeakPolarHBondContact CB-OD1 3.36Å; P634-D636 PolarHBondContact O-N 2.82Å; P634-W637 HydrophobicContact CB-CB 4.38Å; P634-W637 WeakPolarHBondContact O-CB 3.04Å; P634-W637 PolarHBondContact O-N 3.1Å
635	S	63.4	Low	77.1	Confident	124 Å²	124	58.5 Å²	58.5	87%	0.867	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-29.7	179.7	49.7	0	0	0	0	112.2	I633	I633-S635 PolarHBondContact O-N 2.8Å
636	D	61	Low	77.5	Confident	130 Å²	130	58.5 Å²	58.5	70%	0.695	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	3.2	174.2	65.4	-40	0	0	0	114.3	P634 Y638	P634-D636 WeakPolarHBondContact CB-OD1 3.36Å; P634-D636 PolarHBondContact O-N 2.82Å; D636-Y638 PolarHBondContact O-N 2.9Å; D636-Y638 VanDerWaalsContact O-N 3.09Å
637	W	68.7	Low	77.7	Confident	13 Å²	13	53.6 Å²	53.6	5%	0.049	30%	0.301	C	S	.	.			trans	-49.2	119.5	-175.1	172.6	68.5	0	0	0	112.3	V502 P543 W548 P634 P639 V684 K686	V502-W637 HydrophobicContact CB-CH2 4.29Å; V502-W637 HydrophobicContact CB-CZ3 4.19Å; V502-W637 HydrophobicContact CG1-CZ3 4.37Å; V502-W637 HydrophobicContact CG2-CH2 3.55Å; V502-W637 HydrophobicContact CG2-CZ2 4.49Å; V502-W637 HydrophobicContact CG2-CZ3 3.95Å; P543-W637 HydrophobicContact CG-CZ2 3.94Å; P543-W637 VanDerWaalsContact O-CZ2 3.31Å; P543-W637 WeakPolarHBondContact O-CZ2 3.5Å; P543-W637 PolarHBondContact O-NE1 2.9Å; W548-W637 AromaticContact CH2-CD1 3.95Å; W548-W637 HydrophobicContact CH2-CD2 4.3Å; W548-W637 HydrophobicContact CH2-CG 4.2Å; W548-W637 AromaticContact CH2-NE1 3.94Å; P634-W637 HydrophobicContact CB-CB 4.38Å; P634-W637 WeakPolarHBondContact O-CB 3.04Å; P634-W637 PolarHBondContact O-N 3.1Å; W637-P639 VanDerWaalsContact O-N 3.15Å; W637-V684 HydrophobicContact CH2-CB 4.35Å; W637-V684 HydrophobicContact CH2-CG1 3.9Å; W637-V684 HydrophobicContact CH2-CG2 4.16Å; W637-V684 HydrophobicContact CZ3-CB 4.34Å; W637-V684 HydrophobicContact CZ3-CG1 3.89Å; W637-K686 HydrophobicContact CE3-CD 4.28Å; W637-K686 HydrophobicContact CZ3-CD 4.43Å; W637-K686 HydrophobicContact CZ3-CG 4.36Å; W637-K686 PolarHBondContact O-NZ 2.92Å
638	Y	68.4	Low	78	Confident	118 Å²	118	55.4 Å²	55.4	46%	0.463	32%	0.315	S	S	.	.			trans	-50	111.6	-165.1	-173.7	-101.9	0	0	0	112.1	P543 D636 F640 Q681	P543-Y638 HydrophobicContact CG-CD1 4.29Å; D636-Y638 PolarHBondContact O-N 2.9Å; D636-Y638 VanDerWaalsContact O-N 3.09Å; Y638-F640 VanDerWaalsContact C-N 3.25Å; Y638-F640 HydrophobicContact CD1-CB 4.32Å; Y638-F640 HydrophobicContact CE1-CB 3.74Å; Y638-F640 HydrophobicContact CE1-CD2 4.41Å; Y638-F640 PolarHBondContact O-N 3.44Å; Y638-F640 VanDerWaalsContact O-N 3.1Å; Y638-Q681 PolarHBondContact OH-NE2 3.47Å
639	P	77.4	Confident	78.1	Confident	43 Å²	43	56.5 Å²	56.5	28%	0.279	33%	0.326	S	S	.	.			trans	-85.2	17.9	-161.4	34	-37.3	0	0	0	114.2	W637 E683 V684	W637-P639 VanDerWaalsContact O-N 3.15Å; P639-E683 CarbonylContact O-C 3.6Å; P639-E683 VanDerWaalsContact O-CA 3.29Å; P639-E683 WeakPolarHBondContact O-CA 3.25Å; P639-V684 WeakPolarHBondContact O-CG2 3.37Å; P639-V684 PolarHBondContact O-N 3.36Å
640	F	88.2	Confident	78.3	Confident	34 Å²	34	49.9 Å²	49.9	15%	0.149	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	133.1	-177.8	-62.3	-81.5	0	0	0	113.4	Q393 P543 Y638 Q681 V682 E683	Q393-F640 HydrophobicContact CG-CE1 4.12Å; Q393-F640 VanDerWaalsContact NE2-CE1 3.31Å; P543-F640 WeakPolarHBondContact CD-O 3.32Å; P543-F640 WeakPolarHBondContact CG-O 3.33Å; Y638-F640 VanDerWaalsContact C-N 3.25Å; Y638-F640 HydrophobicContact CD1-CB 4.32Å; Y638-F640 HydrophobicContact CE1-CB 3.74Å; Y638-F640 HydrophobicContact CE1-CD2 4.41Å; Y638-F640 PolarHBondContact O-N 3.44Å; Y638-F640 VanDerWaalsContact O-N 3.1Å; F640-Q681 HydrophobicContact CB-CB 4.31Å; F640-Q681 HydrophobicContact CB-CG 4.36Å; F640-Q681 HydrophobicContact CD1-CB 4.31Å; F640-V682 WeakPolarHBondContact CA-O 3.16Å; F640-E683 HydrophobicContact CD1-CB 4.25Å; F640-E683 HydrophobicContact CE1-CB 3.9Å; F640-E683 HydrophobicContact CE1-CG 4.48Å
641	V	91.4	Very high	78.6	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.006	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	130.7	163.9	168.9	0	0	0	0	108.6	A500 I540 V542 Q681 V682 V684	A500-V641 HydrophobicContact CB-CB 4.08Å; A500-V641 HydrophobicContact CB-CG2 3.53Å; I540-V641 HydrophobicContact CG2-CG1 3.59Å; V542-V641 HydrophobicContact CB-CG2 4.32Å; V542-V641 HydrophobicContact CG1-CG2 4.13Å; V542-V641 HydrophobicContact CG2-CG1 4.12Å; V542-V641 HydrophobicContact CG2-CG2 4.02Å; V641-Q681 CarbonylContact O-C 3.58Å; V641-Q681 WeakPolarHBondContact O-CA 3.34Å; V641-V682 PolarHBondContact N-O 3.1Å; V641-V682 PolarHBondContact O-N 2.63Å; V641-V684 HydrophobicContact CG2-CG2 3.82Å
642	S	92.3	Very high	79.2	Confident	25 Å²	25	44.4 Å²	44.4	18%	0.175	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	139.6	174	61.3	0	0	0	0	111.9	I540 R541 C680	I540-S642 CarbonylContact C-O 3.53Å; I540-S642 WeakPolarHBondContact CA-O 3.4Å; R541-S642 WeakPolarHBondContact CB-OG 3.3Å; R541-S642 PolarHBondContact N-O 3.24Å; R541-S642 PolarHBondContact O-N 2.69Å; S642-C680 CarbonylContact C-O 3.49Å; S642-C680 VanDerWaalsContact CA-O 3.29Å; S642-C680 WeakPolarHBondContact CA-O 3.39Å
643	M	92.3	Very high	79.8	Confident	2 Å²	2	36.1 Å²	36.1	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	139.9	170.6	176.7	167.1	147.4	0	0	110.3	F496 I498 L515 V538 V539 I540 C645 H679 C680	F496-M643 HydrophobicContact CB-CE 4.36Å; F496-M643 HydrophobicContact CD1-CE 3.89Å; F496-M643 HydrophobicContact CD2-CE 3.48Å; F496-M643 VanDerWaalsContact CD2-CE 3.48Å; F496-M643 HydrophobicContact CE1-CE 4Å; F496-M643 HydrophobicContact CE2-CE 3.66Å; F496-M643 HydrophobicContact CG-CE 3.62Å; F496-M643 HydrophobicContact CZ-CE 3.9Å; I498-M643 HydrophobicContact CD1-CB 3.77Å; I498-M643 HydrophobicContact CD1-CG 4.14Å; I498-M643 HydrophobicContact CD1-SD 3.48Å; I498-M643 WeakPolarHBondContact CD1-SD 3.38Å; I498-M643 HydrophobicContact CG1-SD 3.84Å; L515-M643 HydrophobicContact CD1-CE 4.09Å; L515-M643 HydrophobicContact CD1-SD 3.71Å; V538-M643 HydrophobicContact CG1-CE 3.91Å; V538-M643 HydrophobicContact CG1-SD 4.32Å; V539-M643 CarbonylContact O-C 3.4Å; V539-M643 VanDerWaalsContact O-CA 3.31Å; V539-M643 WeakPolarHBondContact O-CA 3.41Å; I540-M643 HydrophobicContact CD1-SD 3.93Å; I540-M643 HydrophobicContact CG1-CB 3.96Å; I540-M643 HydrophobicContact CG1-CG 3.75Å; I540-M643 HydrophobicContact CG1-SD 3.78Å; M643-C645 HydrophobicContact CE-CB 4.11Å; M643-H679 CarbonylContact O-C 3.56Å; M643-H679 WeakPolarHBondContact O-CA 3.34Å; M643-C680 HydrophobicContact CB-CB 4.4Å; M643-C680 PolarHBondContact N-O 3.39Å; M643-C680 PolarHBondContact O-N 3.01Å
644	E	92.1	Very high	80.5	Confident	45 Å²	45	36.4 Å²	36.4	21%	0.21	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	143.9	172.9	-59	177.3	123	0	0	109.8	V538 V539 R541 Y678 H679	V538-E644 CarbonylContact C-O 3.58Å; V538-E644 WeakPolarHBondContact CA-O 3.49Å; V539-E644 PolarHBondContact N-O 3.04Å; V539-E644 PolarHBondContact O-N 2.94Å; R541-E644 IonicContact CZ-OE2 3.55Å; R541-E644 VanDerWaalsContact CZ-OE2 3.29Å; R541-E644 IonicContact NE-OE2 3.57Å; R541-E644 PolarHBondContact NE-OE2 2.94Å; R541-E644 IonicContact NH2-OE1 2.78Å; R541-E644 PolarHBondContact NH2-OE1 3.47Å; R541-E644 IonicContact NH2-OE2 3.73Å; R541-E644 PolarHBondContact NH2-OE2 2.79Å; E644-Y678 VanDerWaalsContact CA-O 3.3Å; E644-Y678 WeakPolarHBondContact CA-O 3.3Å; E644-H679 IonicContact OE1-CE1 2.98Å; E644-H679 PolarHBondContact OE1-CE1 2.66Å; E644-H679 IonicContact OE1-ND1 3.9Å; E644-H679 PolarHBondContact OE1-ND1 3.1Å; E644-H679 VanDerWaalsContact OE1-ND1 3.16Å
645	C	90.2	Very high	81.5	Confident	2 Å²	2	34.3 Å²	34.3	1%	0.014	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	165.8	172.8	59.7	0	0	0	0	112.4	F496 V538 M643 Y678	F496-C645 WeakPolarHBondContact CE2-SG 3.27Å; F496-C645 HydrophobicContact CZ-CB 4.49Å; V538-C645 HydrophobicContact CB-CB 4.24Å; V538-C645 HydrophobicContact CG2-CB 3.58Å; M643-C645 HydrophobicContact CE-CB 4.11Å; C645-Y678 PolarHBondContact N-O 2.9Å; C645-Y678 VanDerWaalsContact N-O 3.11Å; C645-Y678 PolarHBondContact O-N 2.96Å
646	E	89.3	Confident	82.7	Confident	8 Å²	8	34 Å²	34	4%	0.037	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	130.6	-174.1	-56.9	177.9	134.4	0	0	110	I49 K50 C535 E536 N537 W675 T676 R677	I49-E646 HydrophobicContact CD1-CB 4.27Å; I49-E646 HydrophobicContact CG2-CB 4.32Å; K50-E646 VanDerWaalsContact CE-OE2 3.31Å; K50-E646 WeakPolarHBondContact CE-OE2 3.48Å; C535-E646 CarbonylContact C-O 3.57Å; C535-E646 WeakPolarHBondContact CA-O 3.18Å; E536-E646 PolarHBondContact N-O 3.13Å; E536-E646 PolarHBondContact O-N 3.23Å; N537-E646 PolarHBondContact ND2-OE2 3.47Å; E646-W675 HydrophobicContact CB-CE3 4.25Å; E646-W675 HydrophobicContact CB-CZ3 4.29Å; E646-W675 HydrophobicContact CG-CE3 4.45Å; E646-W675 HydrophobicContact CG-CZ3 3.99Å; E646-T676 WeakPolarHBondContact CA-O 3.49Å; E646-R677 HydrophobicContact CG-CG 4.33Å; E646-R677 IonicContact OE1-CZ 3.75Å; E646-R677 VanDerWaalsContact OE1-CZ 3.3Å; E646-R677 IonicContact OE1-NE 1.87Å; E646-R677 PolarHBondContact OE1-NE 2.85Å; E646-R677 IonicContact OE1-NH2 3.83Å; E646-R677 PolarHBondContact OE1-NH2 3.34Å
647	I	87.6	Confident	84.1	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	112.9	-176.7	-46.6	-171.9	0	0	0	110.1	P495 F496 F521 P533 C535 A650 W675 T676 Y678	P495-I647 HydrophobicContact CB-CD1 3.77Å; P495-I647 HydrophobicContact CG-CD1 3.87Å; F496-I647 HydrophobicContact CE2-CD1 4.17Å; F496-I647 HydrophobicContact CZ-CD1 4.21Å; F521-I647 HydrophobicContact CE1-CD1 3.81Å; F521-I647 HydrophobicContact CZ-CD1 4.04Å; P533-I647 HydrophobicContact CB-CG2 4.26Å; C535-I647 HydrophobicContact CB-CG1 4.33Å; C535-I647 VanDerWaalsContact SG-CD1 3.57Å; I647-A650 HydrophobicContact CB-CB 3.95Å; I647-A650 HydrophobicContact CG2-CB 3.69Å; I647-W675 VanDerWaalsContact O-CA 3.27Å; I647-W675 WeakPolarHBondContact O-CA 3.18Å; I647-W675 WeakPolarHBondContact O-CB 3.49Å; I647-T676 PolarHBondContact N-O 2.95Å; I647-T676 PolarHBondContact O-N 3.31Å; I647-Y678 HydrophobicContact CD1-CD2 3.84Å; I647-Y678 HydrophobicContact CD1-CE2 3.49Å; I647-Y678 VanDerWaalsContact CD1-CE2 3.49Å; I647-Y678 HydrophobicContact CG1-CD2 4.03Å; I647-Y678 HydrophobicContact CG1-CE2 3.97Å
648	S	81.9	Confident	85.2	Confident	53 Å²	53	31.5 Å²	31.5	37%	0.371	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	141.7	174.5	-72.7	0	0	0	0	112.3	I49 L534 A650	I49-S648 WeakPolarHBondContact CD1-OG 3.48Å; I49-S648 WeakPolarHBondContact CG1-OG 3.32Å; L534-S648 PolarHBondContact O-N 3.2Å; S648-A650 PolarHBondContact O-N 3.28Å
649	G	75.1	Confident	86.2	Confident	45 Å²	45	27.3 Å²	27.3	46%	0.464	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	74	-16.4	177.3	0	0	0	0	0	115	S674	G649-S674 WeakPolarHBondContact CA-O 3.27Å; G649-S674 PolarHBondContact N-O 3.2Å
650	A	74.3	Confident	87	Confident	1 Å²	1	26 Å²	26	1%	0.008	15%	0.145	C	C	.	.			trans	-75.6	136.1	176.4	0	0	0	0	0	111.6	L525 I647 S648 W675 T676	L525-A650 HydrophobicContact CD1-CB 3.77Å; L525-A650 HydrophobicContact CD2-CB 4.06Å; I647-A650 HydrophobicContact CB-CB 3.95Å; I647-A650 HydrophobicContact CG2-CB 3.69Å; S648-A650 PolarHBondContact O-N 3.28Å; A650-W675 CarbonylContact O-C 3.58Å; A650-W675 WeakPolarHBondContact O-CA 3.48Å; A650-T676 VanDerWaalsContact C-OG1 3.24Å; A650-T676 PolarHBondContact O-N 2.88Å; A650-T676 PolarHBondContact O-OG1 2.69Å
651	V	76	Confident	87.1	Confident	22 Å²	22	24.4 Å²	24.4	13%	0.133	14%	0.138	C	C	.	.			trans	-139.6	101.5	177.3	-172.8	0	0	0	0	108.6	D388 S653 Q654	D388-V651 VanDerWaalsContact OD2-C 3.28Å; D388-V651 WeakPolarHBondContact OD2-CA 3.21Å; D388-V651 VanDerWaalsContact OD2-CG1 3.28Å; D388-V651 WeakPolarHBondContact OD2-CG1 3.17Å; V651-S653 WeakPolarHBondContact CG1-OG 3.49Å; V651-Q654 PolarHBondContact O-N 3.12Å
652	V	82.5	Confident	87.1	Confident	1 Å²	1	24.5 Å²	24.5	1%	0.006	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-32.6	-179	167	0	0	0	0	112.6	D388 I390 L489 C491 Q654 T676 Y678	D388-V652 PolarHBondContact OD2-N 3.35Å; I390-V652 HydrophobicContact CD1-CG1 3.84Å; I390-V652 HydrophobicContact CG2-CG2 4.43Å; L489-V652 HydrophobicContact CB-CG1 4.35Å; L489-V652 HydrophobicContact CD1-CG1 4.5Å; L489-V652 HydrophobicContact CD2-CG1 4.46Å; C491-V652 HydrophobicContact CB-CB 4.41Å; C491-V652 HydrophobicContact CB-CG1 4.28Å; C491-V652 HydrophobicContact CB-CG2 4.18Å; V652-Q654 PolarHBondContact O-N 3.42Å; V652-T676 HydrophobicContact CG2-CG2 3.85Å; V652-Y678 HydrophobicContact CG2-CE1 4.29Å; V652-Y678 HydrophobicContact CG2-CE2 4.49Å; V652-Y678 WeakPolarHBondContact CG2-OH 3.42Å
653	S	83.4	Confident	86.8	Confident	2 Å²	2	28 Å²	28	1%	0.014	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-10.2	171.8	57.8	0	0	0	0	113.5	D388 T407 M447 T486 V651 T655	D388-S653 WeakPolarHBondContact OD1-CB 3.44Å; D388-S653 PolarHBondContact OD1-OG 2.64Å; D388-S653 WeakPolarHBondContact OD2-CB 3.47Å; D388-S653 PolarHBondContact OD2-N 3.49Å; D388-S653 PolarHBondContact OD2-OG 3.36Å; T407-S653 WeakPolarHBondContact OG1-CB 3.34Å; T407-S653 PolarHBondContact OG1-OG 2.72Å; M447-S653 WeakPolarHBondContact CB-O 3.48Å; T486-S653 WeakPolarHBondContact OG1-CB 3.33Å; V651-S653 WeakPolarHBondContact CG1-OG 3.49Å; S653-T655 WeakPolarHBondContact CB-OG1 3.44Å; S653-T655 PolarHBondContact O-N 3.48Å; S653-T655 VanDerWaalsContact O-N 3.16Å; S653-T655 WeakPolarHBondContact OG-CB 3.45Å; S653-T655 PolarHBondContact OG-N 2.96Å; S653-T655 PolarHBondContact OG-OG1 2.89Å
654	Q	86	Confident	86.3	Confident	43 Å²	43	29.9 Å²	29.9	20%	0.201	17%	0.169	C	C	.	.			trans	56.2	16.7	-168.1	-59.8	-175.8	-18.9	0	0	114.4	N426 G490 V651 V652 R656	N426-Q654 PolarHBondContact ND2-O 3.3Å; G490-Q654 PolarHBondContact O-NE2 3.05Å; V651-Q654 PolarHBondContact O-N 3.12Å; V652-Q654 PolarHBondContact O-N 3.42Å; Q654-R656 PolarHBondContact O-N 3.44Å
655	T	89.3	Confident	85.7	Confident	8 Å²	8	35.7 Å²	35.7	5%	0.049	20%	0.201	C	C	.	.			trans	-58.1	125.2	178.4	-67.2	0	0	0	0	112.9	V386 L425 N426 M447 Y484 S653	V386-T655 HydrophobicContact CG1-CG2 3.91Å; V386-T655 HydrophobicContact CG2-CG2 4.45Å; L425-T655 HydrophobicContact CD2-CG2 4.15Å; N426-T655 WeakPolarHBondContact OD1-CA 3.45Å; M447-T655 HydrophobicContact CE-CG2 4.33Å; Y484-T655 WeakPolarHBondContact OH-CG2 3.14Å; Y484-T655 PolarHBondContact OH-OG1 2.91Å; S653-T655 WeakPolarHBondContact CB-OG1 3.44Å; S653-T655 PolarHBondContact O-N 3.48Å; S653-T655 VanDerWaalsContact O-N 3.16Å; S653-T655 WeakPolarHBondContact OG-CB 3.45Å; S653-T655 PolarHBondContact OG-N 2.96Å; S653-T655 PolarHBondContact OG-OG1 2.89Å
656	R	89.2	Confident	85.4	Confident	118 Å²	118	41.6 Å²	41.6	45%	0.445	23%	0.231	S	C	.	.			trans	-129.4	139.4	176.3	-67.1	175.7	172.1	-140.2	-9.4	110	L425 N426 D444 Q654 K658	L425-R656 WeakPolarHBondContact CA-O 3.34Å; N426-R656 HydrophobicContact CB-CB 4.26Å; N426-R656 PolarHBondContact N-O 3.43Å; N426-R656 PolarHBondContact OD1-N 2.93Å; N426-R656 PolarHBondContact OD1-O 2.84Å; D444-R656 IonicContact OD1-CZ 3.16Å; D444-R656 IonicContact OD1-NH1 2.63Å; D444-R656 PolarHBondContact OD1-NH1 3.18Å; Q654-R656 PolarHBondContact O-N 3.44Å; R656-K658 PolarHBondContact O-N 2.85Å
657	V	91.4	Very high	85.3	Confident	42 Å²	42	44.9 Å²	44.9	26%	0.255	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	109.4	172.3	178.1	0	0	0	0	108.1	L384 L423 L425 L660 V672	L384-V657 HydrophobicContact CD2-CG2 3.6Å; L423-V657 HydrophobicContact CD1-CB 4.49Å; L423-V657 HydrophobicContact CD1-CG1 3.8Å; L423-V657 HydrophobicContact CD1-CG2 4.13Å; L425-V657 HydrophobicContact CD2-CG2 4.34Å; V657-L660 HydrophobicContact CG1-CB 3.94Å; V657-V672 HydrophobicContact CG2-CG1 3.87Å; V657-V672 HydrophobicContact CG2-CG2 4.31Å
658	K	90.6	Very high	85.4	Confident	49 Å²	49	45.3 Å²	45.3	21%	0.213	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	-36.8	174.8	-76.3	-76.7	-165.3	169.4	0	111.4	A424 N426 Y437 D444 W446 R656	A424-K658 HydrophobicContact CB-CB 4.26Å; A424-K658 PolarHBondContact O-N 2.68Å; N426-K658 HydrophobicContact CB-CG 4.17Å; Y437-K658 PolarHBondContact O-NZ 3.18Å; D444-K658 WeakPolarHBondContact OD2-CE 3.47Å; D444-K658 IonicContact OD2-NZ 2.78Å; D444-K658 PolarHBondContact OD2-NZ 2.81Å; W446-K658 HydrophobicContact CH2-CD 4.5Å; R656-K658 PolarHBondContact O-N 2.85Å
659	S	90.5	Very high	85.8	Confident	30 Å²	30	47.4 Å²	47.4	21%	0.21	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	153.3	169.4	75.1	0	0	0	0	112	A424	A424-S659 VanDerWaalsContact CB-OG 3.25Å; A424-S659 WeakPolarHBondContact CB-OG 3.26Å; A424-S659 PolarHBondContact N-O 2.69Å; A424-S659 PolarHBondContact O-N 2.82Å
660	L	92.8	Very high	86.6	Confident	15 Å²	15	49.4 Å²	49.4	8%	0.079	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	134.9	177	175	64.5	0	0	0	107.9	L382 L384 F422 L423 V657 K670 V672	L382-L660 HydrophobicContact CD2-CD1 3.85Å; L382-L660 HydrophobicContact CD2-CD2 4.4Å; L382-L660 HydrophobicContact CD2-CG 3.94Å; L382-L660 HydrophobicContact CG-CD1 4.37Å; L382-L660 HydrophobicContact CG-CD2 4.39Å; L382-L660 HydrophobicContact CG-CG 4.44Å; L384-L660 HydrophobicContact CB-CD2 4.27Å; F422-L660 WeakPolarHBondContact O-CA 3.45Å; L423-L660 HydrophobicContact CB-CD1 4.3Å; L423-L660 HydrophobicContact CD1-CD1 4.34Å; V657-L660 HydrophobicContact CG1-CB 3.94Å; L660-K670 WeakPolarHBondContact O-CD 3.32Å; L660-K670 VanDerWaalsContact O-CE 3.28Å; L660-K670 WeakPolarHBondContact O-CE 3.45Å; L660-K670 PolarHBondContact O-NZ 3.01Å; L660-V672 HydrophobicContact CD2-CG2 4.31Å
661	G	91.3	Very high	87.3	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.9	179.2	179.1	0	0	0	0	0	115	C421 F422 Q667	C421-G661 CarbonylContact C-O 3.53Å; C421-G661 WeakPolarHBondContact CA-O 3.3Å; F422-G661 WeakPolarHBondContact CD1-O 3.27Å; F422-G661 PolarHBondContact N-O 2.97Å; F422-G661 PolarHBondContact O-N 3.12Å; G661-Q667 VanDerWaalsContact CA-OE1 3.28Å
662	T	90.9	Very high	88	Confident	4 Å²	4	55.5 Å²	55.5	3%	0.025	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	158	171.6	45.5	0	0	0	0	110.6	L415 D420 N664 Q667 P668	L415-T662 HydrophobicContact CD1-CG2 4.1Å; L415-T662 HydrophobicContact CD2-CG2 4.14Å; D420-T662 WeakPolarHBondContact O-CA 3.26Å; T662-N664 PolarHBondContact O-N 2.78Å; T662-Q667 PolarHBondContact O-NE2 3.08Å; T662-Q667 PolarHBondContact OG1-NE2 3.03Å; T662-P668 HydrophobicContact CG2-CG 4.13Å; T662-P668 WeakPolarHBondContact OG1-CD 3.5Å
663	V	85.6	Confident	88.3	Confident	97 Å²	97	58.5 Å²	58.5	59%	0.588	30%	0.3	S	S	*	.	S	Bend	trans	-65.1	-23	168.2	171.6	0	0	0	0	112.6	D420	D420-V663 HydrophobicContact CB-CG2 4.37Å; D420-V663 WeakPolarHBondContact O-CG2 3.05Å; D420-V663 PolarHBondContact O-N 2.87Å
664	N	81.7	Confident	88.5	Confident	43 Å²	43	60.4 Å²	60.4	23%	0.23	31%	0.313	C	S	.	.	S	Bend	trans	-72	144.7	179.9	-50.6	-56.9	0	0	0	113.1	T662 I666 Q667	T662-N664 PolarHBondContact O-N 2.78Å; N664-I666 VanDerWaalsContact C-N 3.28Å; N664-I666 PolarHBondContact O-N 2.93Å; N664-Q667 PolarHBondContact O-NE2 2.89Å
665	D	80.3	Confident	88.6	Confident	166 Å²	166	59.2 Å²	59.2	89%	0.888	31%	0.307	S	S	*	.	S	Bend	trans	-56.5	-40.9	174.8	-57.9	-46.7	0	0	0	112.6	Q667	D665-Q667 PolarHBondContact O-N 2.87Å; D665-Q667 VanDerWaalsContact O-N 3.09Å
666	I	83.1	Confident	88.6	Confident	126 Å²	126	58.8 Å²	58.8	65%	0.646	30%	0.304	S	S	*	.	S	Bend	trans	-76.8	97.3	174.4	-55.8	177.3	0	0	0	108.2	N664	N664-I666 VanDerWaalsContact C-N 3.28Å; N664-I666 PolarHBondContact O-N 2.93Å
667	Q	88.2	Confident	88.7	Confident	78 Å²	78	55.9 Å²	55.9	36%	0.364	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-75.2	140.3	175.6	-64.9	-68.7	-57.5	0	0	111.2	G661 T662 N664 D665	G661-Q667 VanDerWaalsContact CA-OE1 3.28Å; T662-Q667 PolarHBondContact O-NE2 3.08Å; T662-Q667 PolarHBondContact OG1-NE2 3.03Å; N664-Q667 PolarHBondContact O-NE2 2.89Å; D665-Q667 PolarHBondContact O-N 2.87Å; D665-Q667 VanDerWaalsContact O-N 3.09Å
668	P	89.6	Confident	88.6	Confident	9 Å²	9	54 Å²	54	6%	0.058	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-70.1	162.3	171.7	31	-36.7	0	0	0	111.7	Q380 L382 L415 T662	Q380-P668 HydrophobicContact CB-CB 4.09Å; Q380-P668 CarbonylContact O-C 3.58Å; Q380-P668 WeakPolarHBondContact O-CA 3.33Å; Q380-P668 WeakPolarHBondContact O-CB 3.49Å; L382-P668 HydrophobicContact CB-CB 3.99Å; L382-P668 HydrophobicContact CB-CG 3.55Å; L382-P668 HydrophobicContact CD2-CG 4.07Å; L382-P668 HydrophobicContact CG-CG 4.47Å; L415-P668 HydrophobicContact CD2-CB 3.8Å; L415-P668 HydrophobicContact CD2-CG 3.92Å; T662-P668 HydrophobicContact CG2-CG 4.13Å; T662-P668 WeakPolarHBondContact OG1-CD 3.5Å
669	Q	90.2	Very high	88.7	Confident	97 Å²	97	52.9 Å²	52.9	45%	0.453	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	133.1	162.9	176.1	163.7	-89	0	0	109.3	Q380 E381 L382 H671	Q380-Q669 PolarHBondContact O-N 3.39Å; E381-Q669 CarbonylContact C-O 3.5Å; E381-Q669 WeakPolarHBondContact CA-O 3.49Å; E381-Q669 HydrophobicContact CG-CB 4.31Å; E381-Q669 PolarHBondContact OE1-NE2 3.07Å; L382-Q669 PolarHBondContact N-O 2.87Å; Q669-H671 WeakPolarHBondContact CG-NE2 3.49Å; Q669-H671 PolarHBondContact NE2-CE1 3.5Å; Q669-H671 PolarHBondContact NE2-NE2 3.17Å
670	K	90.9	Very high	88.7	Confident	86 Å²	86	51.5 Å²	51.5	37%	0.374	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	125.5	-169.3	-69.6	163.1	-164.9	-177.3	0	111.1	L382 L660	L382-K670 WeakPolarHBondContact O-CA 3.36Å; L660-K670 WeakPolarHBondContact O-CD 3.32Å; L660-K670 VanDerWaalsContact O-CE 3.28Å; L660-K670 WeakPolarHBondContact O-CE 3.45Å; L660-K670 PolarHBondContact O-NZ 3.01Å
671	H	90.1	Very high	88.7	Confident	74 Å²	74	51.8 Å²	51.8	34%	0.343	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	131	174.6	-55.9	-73.9	0	0	0	109.5	F56 E381 L382 S383 L384 Q669	F56-H671 AromaticContact CD1-CD2 3.79Å; F56-H671 AromaticContact CD1-NE2 3.64Å; F56-H671 HydrophobicContact CE1-CB 4.4Å; F56-H671 AromaticContact CE1-CD2 3.5Å; E381-H671 IonicContact OE1-CD2 2.69Å; E381-H671 IonicContact OE1-NE2 3.88Å; E381-H671 PolarHBondContact OE1-NE2 3.09Å; E381-H671 IonicContact OE2-NE2 2.75Å; L382-H671 PolarHBondContact O-N 3.5Å; L382-H671 VanDerWaalsContact O-N 3.17Å; S383-H671 CarbonylContact C-O 3.52Å; S383-H671 WeakPolarHBondContact CA-O 3.44Å; S383-H671 PolarHBondContact OG-CD2 3.12Å; L384-H671 PolarHBondContact N-O 3.16Å; Q669-H671 WeakPolarHBondContact CG-NE2 3.49Å; Q669-H671 PolarHBondContact NE2-CE1 3.5Å; Q669-H671 PolarHBondContact NE2-NE2 3.17Å
672	V	90	Very high	88.8	Confident	77 Å²	77	51.9 Å²	51.9	47%	0.467	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	125.1	172.6	-178.3	0	0	0	0	107.9	L384 V657 L660	L384-V672 HydrophobicContact CB-CG2 4.38Å; L384-V672 WeakPolarHBondContact O-CA 3.16Å; V657-V672 HydrophobicContact CG2-CG1 3.87Å; V657-V672 HydrophobicContact CG2-CG2 4.31Å; L660-V672 HydrophobicContact CD2-CG2 4.31Å
673	T	89.6	Confident	88.8	Confident	65 Å²	65	54 Å²	54	40%	0.399	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	143.1	176.3	56.9	0	0	0	0	109.9	L384 Q385 V386	L384-T673 PolarHBondContact O-N 3.38Å; L384-T673 PolarHBondContact O-OG1 1.83Å; Q385-T673 WeakPolarHBondContact CA-O 3.35Å; Q385-T673 WeakPolarHBondContact CA-OG1 3.39Å; Q385-T673 WeakPolarHBondContact CB-OG1 3.36Å; Q385-T673 WeakPolarHBondContact CG-OG1 3.3Å; V386-T673 PolarHBondContact N-O 3.23Å
674	S	88	Confident	89	Confident	42 Å²	42	49.7 Å²	49.7	29%	0.294	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	143.8	179	63.1	0	0	0	0	111.9	V386 G649	V386-S674 WeakPolarHBondContact O-CA 3.37Å; G649-S674 WeakPolarHBondContact CA-O 3.27Å; G649-S674 PolarHBondContact N-O 3.2Å
675	W	87.4	Confident	89.3	Confident	17 Å²	17	51 Å²	51	6%	0.064	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	158.7	175	61.9	-68.1	0	0	0	110.5	I49 Q385 V386 T387 D388 E646 I647 A650 R677	I49-W675 HydrophobicContact CG2-CD2 4.3Å; I49-W675 HydrophobicContact CG2-CE3 4.13Å; I49-W675 HydrophobicContact CG2-CZ3 4.5Å; Q385-W675 VanDerWaalsContact NE2-NE1 3.11Å; V386-W675 PolarHBondContact O-N 3.39Å; T387-W675 HydrophobicContact CG2-CD2 4.18Å; T387-W675 HydrophobicContact CG2-CH2 3.79Å; T387-W675 HydrophobicContact CG2-CZ2 3.37Å; T387-W675 HydrophobicContact CG2-CZ3 4.34Å; T387-W675 VanDerWaalsContact OG1-CE2 3.32Å; T387-W675 WeakPolarHBondContact OG1-CZ2 3.38Å; T387-W675 PolarHBondContact OG1-NE1 3.15Å; D388-W675 PolarHBondContact N-O 3.16Å; D388-W675 VanDerWaalsContact N-O 3.1Å; E646-W675 HydrophobicContact CB-CE3 4.25Å; E646-W675 HydrophobicContact CB-CZ3 4.29Å; E646-W675 HydrophobicContact CG-CE3 4.45Å; E646-W675 HydrophobicContact CG-CZ3 3.99Å; I647-W675 VanDerWaalsContact O-CA 3.27Å; I647-W675 WeakPolarHBondContact O-CA 3.18Å; I647-W675 WeakPolarHBondContact O-CB 3.49Å; A650-W675 CarbonylContact O-C 3.58Å; A650-W675 WeakPolarHBondContact O-CA 3.48Å; W675-R677 HydrophobicContact CE3-CB 4.49Å; W675-R677 HydrophobicContact CZ3-CB 3.84Å
676	T	89.3	Confident	89.6	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	135.2	174.2	-57.9	0	0	0	0	110.7	D388 I390 E646 I647 A650 V652 Y678	D388-T676 HydrophobicContact CB-CG2 3.94Å; D388-T676 CarbonylContact O-C 3.39Å; D388-T676 WeakPolarHBondContact O-CA 3.3Å; I390-T676 HydrophobicContact CG2-CG2 3.84Å; E646-T676 WeakPolarHBondContact CA-O 3.49Å; I647-T676 PolarHBondContact N-O 2.95Å; I647-T676 PolarHBondContact O-N 3.31Å; A650-T676 VanDerWaalsContact C-OG1 3.24Å; A650-T676 PolarHBondContact O-N 2.88Å; A650-T676 PolarHBondContact O-OG1 2.69Å; V652-T676 HydrophobicContact CG2-CG2 3.85Å; T676-Y678 HydrophobicContact CG2-CD2 3.66Å; T676-Y678 HydrophobicContact CG2-CE2 3.34Å; T676-Y678 HydrophobicContact CG2-CG 4.43Å
677	R	90.8	Very high	89.8	Confident	56 Å²	56	45 Å²	45	21%	0.211	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	122.6	162.9	-168.9	173.6	-78.6	164.1	-7.9	109.8	D388 H389 I390 E646 W675 H679	D388-R677 PolarHBondContact O-N 3.04Å; H389-R677 WeakPolarHBondContact CA-O 3.35Å; H389-R677 PolarHBondContact CE1-NH1 3.34Å; I390-R677 PolarHBondContact N-O 3.22Å; E646-R677 HydrophobicContact CG-CG 4.33Å; E646-R677 IonicContact OE1-CZ 3.75Å; E646-R677 VanDerWaalsContact OE1-CZ 3.3Å; E646-R677 IonicContact OE1-NE 1.87Å; E646-R677 PolarHBondContact OE1-NE 2.85Å; E646-R677 IonicContact OE1-NH2 3.83Å; E646-R677 PolarHBondContact OE1-NH2 3.34Å; W675-R677 HydrophobicContact CE3-CB 4.49Å; W675-R677 HydrophobicContact CZ3-CB 3.84Å; R677-H679 VanDerWaalsContact CD-NE2 3.3Å; R677-H679 WeakPolarHBondContact CD-NE2 3.3Å
678	Y	90.7	Very high	89.5	Confident	4 Å²	4	49.6 Å²	49.6	2%	0.016	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	131.8	174.2	-72.7	-102.6	0	0	0	109.6	I390 I392 P495 F521 E644 C645 I647 V652 T676	I390-Y678 HydrophobicContact CG2-CD1 3.36Å; I390-Y678 HydrophobicContact CG2-CD2 4.3Å; I390-Y678 HydrophobicContact CG2-CE1 3.58Å; I390-Y678 HydrophobicContact CG2-CE2 4.47Å; I390-Y678 HydrophobicContact CG2-CG 3.74Å; I392-Y678 HydrophobicContact CD1-CD1 4.19Å; I392-Y678 HydrophobicContact CD1-CE1 4.39Å; P495-Y678 VanDerWaalsContact CD-CE1 3.49Å; P495-Y678 HydrophobicContact CG-CD1 3.87Å; P495-Y678 HydrophobicContact CG-CD2 4.33Å; P495-Y678 HydrophobicContact CG-CE1 3.49Å; P495-Y678 VanDerWaalsContact CG-CE1 3.49Å; P495-Y678 HydrophobicContact CG-CE2 3.99Å; P495-Y678 HydrophobicContact CG-CG 4.28Å; F521-Y678 WeakPolarHBondContact CE2-OH 3.47Å; F521-Y678 WeakPolarHBondContact CZ-OH 3.35Å; E644-Y678 VanDerWaalsContact CA-O 3.3Å; E644-Y678 WeakPolarHBondContact CA-O 3.3Å; C645-Y678 PolarHBondContact N-O 2.9Å; C645-Y678 VanDerWaalsContact N-O 3.11Å; C645-Y678 PolarHBondContact O-N 2.96Å; I647-Y678 HydrophobicContact CD1-CD2 3.84Å; I647-Y678 HydrophobicContact CD1-CE2 3.49Å; I647-Y678 VanDerWaalsContact CD1-CE2 3.49Å; I647-Y678 HydrophobicContact CG1-CD2 4.03Å; I647-Y678 HydrophobicContact CG1-CE2 3.97Å; V652-Y678 HydrophobicContact CG2-CE1 4.29Å; V652-Y678 HydrophobicContact CG2-CE2 4.49Å; V652-Y678 WeakPolarHBondContact CG2-OH 3.42Å; T676-Y678 HydrophobicContact CG2-CD2 3.66Å; T676-Y678 HydrophobicContact CG2-CE2 3.34Å; T676-Y678 HydrophobicContact CG2-CG 4.43Å
679	H	91.4	Very high	89.2	Confident	24 Å²	24	53.1 Å²	53.1	11%	0.111	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	114.3	165.4	-58.5	-95	0	0	0	107.6	F229 I390 W391 I392 M643 E644 R677	F229-H679 HydrophobicContact CE2-CB 4.42Å; F229-H679 HydrophobicContact CZ-CB 4.07Å; F229-H679 WeakPolarHBondContact CZ-O 3.47Å; I390-H679 PolarHBondContact O-N 2.97Å; W391-H679 VanDerWaalsContact CA-O 3.28Å; W391-H679 WeakPolarHBondContact CA-O 3.33Å; W391-H679 VanDerWaalsContact CD1-CB 3.48Å; W391-H679 AromaticContact CE2-CD2 3.45Å; W391-H679 VanDerWaalsContact CE2-CD2 3.45Å; W391-H679 AromaticContact CE2-CG 3.83Å; W391-H679 HydrophobicContact CG-CB 4.17Å; W391-H679 AromaticContact CZ2-CD2 3.42Å; W391-H679 VanDerWaalsContact CZ2-CD2 3.42Å; W391-H679 WeakPolarHBondContact CZ2-CD2 3.41Å; W391-H679 AromaticContact CZ2-NE2 3.68Å; W391-H679 VanDerWaalsContact NE1-CB 3.32Å; W391-H679 AromaticContact NE1-CD2 3.55Å; W391-H679 AromaticContact NE1-CG 3.41Å; I392-H679 PolarHBondContact N-O 2.82Å; M643-H679 CarbonylContact O-C 3.56Å; M643-H679 WeakPolarHBondContact O-CA 3.34Å; E644-H679 IonicContact OE1-CE1 2.98Å; E644-H679 PolarHBondContact OE1-CE1 2.66Å; E644-H679 IonicContact OE1-ND1 3.9Å; E644-H679 PolarHBondContact OE1-ND1 3.1Å; E644-H679 VanDerWaalsContact OE1-ND1 3.16Å; R677-H679 VanDerWaalsContact CD-NE2 3.3Å; R677-H679 WeakPolarHBondContact CD-NE2 3.3Å
680	C	91.8	Very high	88.3	Confident	2 Å²	2	53.8 Å²	53.8	1%	0.014	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	141.5	178.8	-59.8	0	0	0	0	110.3	I392 I498 S642 M643	I392-C680 CarbonylContact O-C 3.52Å; I392-C680 VanDerWaalsContact O-CA 3.29Å; I392-C680 WeakPolarHBondContact O-CA 3.49Å; I498-C680 HydrophobicContact CD1-CB 4.13Å; S642-C680 CarbonylContact C-O 3.49Å; S642-C680 VanDerWaalsContact CA-O 3.29Å; S642-C680 WeakPolarHBondContact CA-O 3.39Å; M643-C680 HydrophobicContact CB-CB 4.4Å; M643-C680 PolarHBondContact N-O 3.39Å; M643-C680 PolarHBondContact O-N 3.01Å
681	Q	93	Very high	86.8	Confident	20 Å²	20	53 Å²	53	9%	0.093	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	141.5	161.5	-86.5	-171.2	-2.6	0	0	109.5	F229 I392 Q393 L394 Y638 F640 V641	F229-Q681 HydrophobicContact CD1-CB 3.9Å; F229-Q681 HydrophobicContact CD1-CG 3.93Å; F229-Q681 VanDerWaalsContact CD2-CD 3.42Å; F229-Q681 HydrophobicContact CD2-CG 3.73Å; F229-Q681 HydrophobicContact CE1-CB 3.77Å; F229-Q681 HydrophobicContact CE1-CG 3.87Å; F229-Q681 HydrophobicContact CE2-CB 4.47Å; F229-Q681 HydrophobicContact CE2-CG 3.66Å; F229-Q681 HydrophobicContact CG-CB 4.31Å; F229-Q681 VanDerWaalsContact CG-CD 3.41Å; F229-Q681 HydrophobicContact CG-CG 3.86Å; F229-Q681 HydrophobicContact CZ-CB 4.06Å; F229-Q681 HydrophobicContact CZ-CG 3.72Å; I392-Q681 PolarHBondContact O-N 2.96Å; Q393-Q681 CarbonylContact C-O 3.59Å; Q393-Q681 WeakPolarHBondContact CA-O 3.37Å; Q393-Q681 HydrophobicContact CG-CB 4.47Å; L394-Q681 PolarHBondContact N-O 2.87Å; Y638-Q681 PolarHBondContact OH-NE2 3.47Å; F640-Q681 HydrophobicContact CB-CB 4.31Å; F640-Q681 HydrophobicContact CB-CG 4.36Å; F640-Q681 HydrophobicContact CD1-CB 4.31Å; V641-Q681 CarbonylContact O-C 3.58Å; V641-Q681 WeakPolarHBondContact O-CA 3.34Å
682	V	91.7	Very high	84.9	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.012	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	122.3	-172.5	-169.5	0	0	0	0	109.9	L394 I498 F640 V641	L394-V682 HydrophobicContact CB-CB 4.47Å; L394-V682 HydrophobicContact CB-CG1 4.21Å; L394-V682 HydrophobicContact CB-CG2 4.27Å; L394-V682 HydrophobicContact CD1-CG2 4.11Å; L394-V682 HydrophobicContact CG-CG2 4.48Å; I498-V682 HydrophobicContact CB-CG2 3.99Å; I498-V682 HydrophobicContact CD1-CG2 3.95Å; I498-V682 HydrophobicContact CG2-CG2 4.01Å; F640-V682 WeakPolarHBondContact CA-O 3.16Å; V641-V682 PolarHBondContact N-O 3.1Å; V641-V682 PolarHBondContact O-N 2.63Å
683	E	91.1	Very high	83.1	Confident	50 Å²	50	55.1 Å²	55.1	23%	0.234	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	135.9	178.2	-171	-159.8	-173.8	0	0	110.6	L394 K396 P639 F640	L394-E683 PolarHBondContact O-N 3.09Å; K396-E683 HydrophobicContact CB-CB 4.4Å; K396-E683 HydrophobicContact CB-CG 4.44Å; K396-E683 WeakPolarHBondContact CB-OE2 3.45Å; K396-E683 WeakPolarHBondContact CD-OE2 3.43Å; K396-E683 WeakPolarHBondContact CG-OE2 3.46Å; K396-E683 PolarHBondContact N-OE2 3.49Å; K396-E683 IonicContact NZ-OE1 3.55Å; K396-E683 IonicContact NZ-OE2 3.6Å; P639-E683 CarbonylContact O-C 3.6Å; P639-E683 VanDerWaalsContact O-CA 3.29Å; P639-E683 WeakPolarHBondContact O-CA 3.25Å; F640-E683 HydrophobicContact CD1-CB 4.25Å; F640-E683 HydrophobicContact CE1-CB 3.9Å; F640-E683 HydrophobicContact CE1-CG 4.48Å
684	V	89.4	Confident	80.8	Confident	6 Å²	6	58.3 Å²	58.3	4%	0.036	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	124.8	-179.2	177.4	0	0	0	0	110.8	A500 V502 W637 P639 V641 K686	A500-V684 HydrophobicContact CB-CG2 3.97Å; V502-V684 HydrophobicContact CB-CG1 3.98Å; V502-V684 HydrophobicContact CG2-CG1 3.65Å; W637-V684 HydrophobicContact CH2-CB 4.35Å; W637-V684 HydrophobicContact CH2-CG1 3.9Å; W637-V684 HydrophobicContact CH2-CG2 4.16Å; W637-V684 HydrophobicContact CZ3-CB 4.34Å; W637-V684 HydrophobicContact CZ3-CG1 3.89Å; P639-V684 WeakPolarHBondContact O-CG2 3.37Å; P639-V684 PolarHBondContact O-N 3.36Å; V641-V684 HydrophobicContact CG2-CG2 3.82Å; V684-K686 HydrophobicContact CG1-CG 4.47Å; V684-K686 PolarHBondContact O-N 3.15Å; V684-K686 VanDerWaalsContact O-N 3.12Å
685	E	89.1	Confident	78.6	Confident	70 Å²	70	63.8 Å²	63.8	33%	0.327	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	102.6	169.7	-168.3	-168.3	-165	0	0	110.3	A500 V501 V502 K687	A500-E685 PolarHBondContact O-N 3.46Å; V501-E685 WeakPolarHBondContact CA-O 3.21Å; V501-E685 HydrophobicContact CG1-CB 4.46Å; V501-E685 HydrophobicContact CG2-CB 4.37Å; V501-E685 WeakPolarHBondContact CG2-OE2 3.11Å; V502-E685 PolarHBondContact N-O 2.89Å; E685-K687 WeakPolarHBondContact OE1-CE 3.5Å; E685-K687 IonicContact OE1-NZ 3.03Å; E685-K687 PolarHBondContact OE1-NZ 2.61Å; E685-K687 WeakPolarHBondContact OE2-CE 3.21Å; E685-K687 IonicContact OE2-NZ 3.5Å; E685-K687 PolarHBondContact OE2-NZ 3.37Å
686	K	86.6	Confident	76.3	Confident	79 Å²	79	70.1 Å²	70.1	34%	0.343	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	121.7	176.6	-56.8	-174.9	-174.3	-172.8	0	110.3	W637 V684	W637-K686 HydrophobicContact CE3-CD 4.28Å; W637-K686 HydrophobicContact CZ3-CD 4.43Å; W637-K686 HydrophobicContact CZ3-CG 4.36Å; W637-K686 PolarHBondContact O-NZ 2.92Å; V684-K686 HydrophobicContact CG1-CG 4.47Å; V684-K686 PolarHBondContact O-N 3.15Å; V684-K686 VanDerWaalsContact O-N 3.12Å
687	K	86.2	Confident	74	Confident	88 Å²	88	74.4 Å²	74.4	38%	0.383	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	116.8	180	-80.7	173.4	170.4	143.4	0	110.8	V501 V502 T503 V504 E685	V501-K687 HydrophobicContact CG1-CD 3.91Å; V502-K687 PolarHBondContact O-N 2.9Å; T503-K687 CarbonylContact C-O 3.53Å; T503-K687 VanDerWaalsContact CA-O 3.32Å; T503-K687 WeakPolarHBondContact CA-O 3.38Å; T503-K687 HydrophobicContact CG2-CB 4.48Å; V504-K687 PolarHBondContact N-O 2.94Å; E685-K687 WeakPolarHBondContact OE1-CE 3.5Å; E685-K687 IonicContact OE1-NZ 3.03Å; E685-K687 PolarHBondContact OE1-NZ 2.61Å; E685-K687 WeakPolarHBondContact OE2-CE 3.21Å; E685-K687 IonicContact OE2-NZ 3.5Å; E685-K687 PolarHBondContact OE2-NZ 3.37Å
688	W	83.6	Confident	71.5	Confident	174 Å²	174	74.8 Å²	74.8	66%	0.659	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.4	128.1	173.9	-59.7	91.1	0	0	0	109.2	V504 I633	V504-W688 HydrophobicContact CB-CD2 4.35Å; V504-W688 HydrophobicContact CB-CE3 3.7Å; V504-W688 HydrophobicContact CB-CZ3 3.91Å; V504-W688 HydrophobicContact CG1-CE3 3.85Å; V504-W688 HydrophobicContact CG1-CZ3 3.7Å; V504-W688 HydrophobicContact CG2-CD2 4.41Å; V504-W688 HydrophobicContact CG2-CE3 4.01Å; V504-W688 HydrophobicContact CG2-CH2 4.27Å; V504-W688 HydrophobicContact CG2-CZ3 3.95Å; I633-W688 HydrophobicContact CB-CH2 4.23Å; I633-W688 HydrophobicContact CD1-CH2 4.09Å; I633-W688 HydrophobicContact CD1-CZ3 4.2Å; I633-W688 HydrophobicContact CG2-CH2 4.19Å
689	I	82.9	Confident	69.3	Low	83 Å²	83	79.9 Å²	79.9	43%	0.426	42%	0.415	S	S	.	.			trans	-115.1	106.7	175.8	-64.9	176.1	0	0	0	107.6	T503 V504 Q505 T691	T503-I689 HydrophobicContact CG2-CD1 3.46Å; T503-I689 VanDerWaalsContact CG2-CD1 3.46Å; T503-I689 HydrophobicContact CG2-CG1 4.14Å; V504-I689 PolarHBondContact O-N 3.44Å; Q505-I689 HydrophobicContact CG-CB 3.9Å; Q505-I689 HydrophobicContact CG-CD1 4.16Å; Q505-I689 HydrophobicContact CG-CG2 4.15Å; I689-T691 PolarHBondContact O-N 3.31Å
690	E	70.9	Confident	66.9	Low	111 Å²	111	86.3 Å²	86.3	52%	0.519	45%	0.447	S	S	.	.			trans	-57.8	131.7	169.6	-60.3	172.8	156.6	0	0	109.6	R695	E690-R695 IonicContact OE2-CZ 2.78Å; E690-R695 IonicContact OE2-NE 3.21Å; E690-R695 PolarHBondContact OE2-NE 3.22Å; E690-R695 VanDerWaalsContact OE2-NE 3.08Å; E690-R695 IonicContact OE2-NH2 3.3Å; E690-R695 PolarHBondContact OE2-NH2 2.99Å
691	T	58.9	Low	64.6	Low	68 Å²	68	92.1 Å²	92.1	42%	0.417	48%	0.483	S	S	.	.			trans	-79.1	136.1	166.3	38.4	0	0	0	0	109.5	I689 S693 Q694	I689-T691 PolarHBondContact O-N 3.31Å; T691-S693 PolarHBondContact O-N 2.71Å; T691-Q694 PolarHBondContact O-N 3.18Å
692	D	51.7	Low	61.8	Low	107 Å²	107	104.2 Å²	104.2	57%	0.572	54%	0.539	S	S	*	.	H	α-helix	trans	-59.4	-14.4	-172	-72.8	-59.5	0	0	0	114.6	Q694 R695 Q696	D692-Q694 PolarHBondContact O-N 2.62Å; D692-R695 PolarHBondContact O-N 2.89Å; D692-R695 IonicContact OD1-NH1 2.7Å; D692-Q696 PolarHBondContact O-N 2.75Å
693	S	50.8	Low	60.3	Low	89 Å²	89	109.3 Å²	109.3	62%	0.622	57%	0.566	S	S	*	*	H	α-helix	trans	-59.8	-28.2	169.9	45.7	0	0	0	0	113.8	T691	T691-S693 PolarHBondContact O-N 2.71Å
694	Q	41.3	Very low	58.7	Low	133 Å²	133	112.4 Å²	112.4	62%	0.621	58%	0.583	S	S	*	*	H	α-helix	trans	-77.7	-26	171	-84.8	-176.4	-39.9	0	0	113.2	T691 D692 Q696 S697	T691-Q694 PolarHBondContact O-N 3.18Å; D692-Q694 PolarHBondContact O-N 2.62Å; Q694-Q696 VanDerWaalsContact C-N 3.35Å; Q694-S697 PolarHBondContact O-OG 3.47Å
695	R	42.4	Very low	57	Low	156 Å²	156	118.3 Å²	118.3	59%	0.589	61%	0.614	S	S	*	*	H	α-helix	trans	-74	-27.8	179.1	-71.3	177.8	172.8	-177.2	-6.3	112.9	E690 D692	E690-R695 IonicContact OE2-CZ 2.78Å; E690-R695 IonicContact OE2-NE 3.21Å; E690-R695 PolarHBondContact OE2-NE 3.22Å; E690-R695 VanDerWaalsContact OE2-NE 3.08Å; E690-R695 IonicContact OE2-NH2 3.3Å; E690-R695 PolarHBondContact OE2-NH2 2.99Å; D692-R695 PolarHBondContact O-N 2.89Å; D692-R695 IonicContact OD1-NH1 2.7Å
696	Q	37.8	Very low	55.1	Low	150 Å²	150	121.2 Å²	121.2	70%	0.701	63%	0.63	S	S	*	*	H	α-helix	trans	-72.8	-30.1	177.1	-68.1	-172	-11.5	0	0	113.3	D692 Q694 G698 C699	D692-Q696 PolarHBondContact O-N 2.75Å; Q694-Q696 VanDerWaalsContact C-N 3.35Å; Q696-G698 VanDerWaalsContact C-N 3.32Å; Q696-G698 PolarHBondContact O-N 3.12Å; Q696-C699 PolarHBondContact O-N 3.37Å
697	S	41.8	Very low	53.2	Low	91 Å²	91	123.8 Å²	123.8	64%	0.636	65%	0.648	S	S	*	*	H	α-helix	trans	-70.7	-26.8	179.7	61.6	0	0	0	0	113.3	Q694 C699	Q694-S697 PolarHBondContact O-OG 3.47Å; S697-C699 VanDerWaalsContact C-N 3.25Å; S697-C699 PolarHBondContact O-N 3.23Å
698	G	38.3	Very low	51	Low	64 Å²	64	126.2 Å²	126.2	66%	0.66	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-5.3	174.7	0	0	0	0	0	115.4	Q696	Q696-G698 VanDerWaalsContact C-N 3.32Å; Q696-G698 PolarHBondContact O-N 3.12Å
699	C	44.1	Very low	48.6	Very low	110 Å²	110	122.8 Å²	122.8	74%	0.743	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.5	13.4	-172.4	-147.9	0	0	0	0	113.8	Q696 S697	Q696-C699 PolarHBondContact O-N 3.37Å; S697-C699 VanDerWaalsContact C-N 3.25Å; S697-C699 PolarHBondContact O-N 3.23Å
700	M	41.2	Very low	46	Very low	159 Å²	159	125.8 Å²	125.8	78%	0.783	69%	0.685	S	S	*	*	S	Bend	trans	-117.9	25	-176.4	-76.9	-107.8	61.2	0	0	113.7
701	T	44.1	Very low	43.9	Very low	124 Å²	124	127.1 Å²	127.1	76%	0.761	70%	0.699	S	S	*	*			trans	-137.2	78.2	171.4	51.8	0	0	0	0	112
702	Q	34.7	Very low	42.6	Very low	274 Å²	274	132.5 Å²	132.5	100%	1.28	72%	0.724	S	S	*	*			trans	-138.4	0	153.1	-74.6	-164.5	-8.8	0	0	108.4

Retrieved 702 of 702 residues in 264.1 ms (Link to these results)

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