A0A087YJE5_POEFO Loading...

Furin (paired basic amino acid cleaving enzyme) a

AlphaFold DB , UniProt , Accession A0A087YJE5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 807 aa.

						>A0A087YJE5_POEFO|A0A087YJE5
MASGPPSPSIGCRLRLLQLLIGAVFVLLVSGFGSALGHKVYTNTWAVHIPGGPEEADQIAKKHGFINHGHVFGDYYHFRHRRVVKRSLSDHRGAQVRLERDPKVTWSEQQVSKQRKKRDTVTEFVDPKFRDQWYLYNSNHRDLNAKAAWQLGYTGKGVVVSILDDGIEKNHPDLSQNYDPEASYDVNDADPDPTPRYTQLNDNRHGTRCAGEVAAVANNGVCGIGVAYNAKIGGVRMLDGEVTDMVEAQSLSLNPQHIDIYSASWGPEDDGKTVDGPAKLAKEAFLRGVTDGRGGLGSIFVWASGNGGREKDSCNCDGYTNSIYTLSISSTTQNGNVPWYSEACSSTLATTYSSGNINEKQIITTDLKSKCTDSHTGTSASAPLAAGIIALALEANKNLTWRDMQHLVVRTSRPAHLLANDWRTNGVGRKVSHSYGYGLLDASAIVSQAKTWTNVGPQRKCVISILTEPRNIGSHLLIDKNVDACLGSDSYVTSLEHVQARLTLTYNRRGNLAIHLISPAGTRSTLLHPRPHDYSSEGFNDWAFMTTHSWDENPSGVWRLEIENVAGASDYGTLTQFTLVLYGTGSPSSNSSEQPQCNNDICKTLDLSMKCIECNPGYYLFQQGCVKECPAGFVVGTQPLKYAVGNYIQPASVLACLPCPSPCVTCSSLSPPFCLTCPDHSSLDQISGTCLRLNHSMRESPGAFMEERKPWFKRDSQLPITVAVLSCMAIITTFAGVFLMLQLRSGALIKLPSLEAGGGFTLRGGRVVSYRGIPTVWGDDGLNTDSENEEFDVHNERTAFIKTQSAL
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.2	Very low	40.1	Very low	248 Å²	248	120.5 Å²	120.5	100%	1.222	80%	0.801	S	S	*	*				0	155.1	0	-75.4	174.6	172.4	0	0	108.6
2	A	36	Very low	40.3	Very low	105 Å²	105	117.5 Å²	117.5	87%	0.868	78%	0.782	S	S	*	*			trans	-73.4	145.9	-155.6	0	0	0	0	0	115.5
3	S	39.6	Very low	40.9	Very low	126 Å²	126	125.4 Å²	125.4	88%	0.881	79%	0.785	S	S	*	*			trans	-86.2	144.5	160	42.8	0	0	0	0	110.3
4	G	34.1	Very low	41.6	Very low	70 Å²	70	124.4 Å²	124.4	72%	0.722	77%	0.771	S	S	*	*			trans	-138.8	147.2	174.9	0	0	0	0	0	111.1
5	P	40.9	Very low	42.3	Very low	126 Å²	126	128.7 Å²	128.7	82%	0.818	77%	0.767	S	S	*	*			trans	-86.2	162.8	-170.1	35.1	-36.6	0	0	0	113.8
6	P	42.8	Very low	42.9	Very low	129 Å²	129	127.8 Å²	127.8	84%	0.838	76%	0.756	S	S	*	*			trans	-78.9	149.8	177.7	32.9	-35.4	0	0	0	112.9
7	S	35.6	Very low	43.6	Very low	117 Å²	117	126.4 Å²	126.4	82%	0.818	74%	0.744	S	S	*	*			trans	-108.5	146.1	173.8	48.1	0	0	0	0	112.1
8	P	41	Very low	44.2	Very low	116 Å²	116	126.9 Å²	126.9	75%	0.753	74%	0.738	S	S	*	*			trans	-99.8	148.1	-161.8	36.5	-36.2	0	0	0	117
9	S	41.8	Very low	44.9	Very low	82 Å²	82	126.9 Å²	126.9	57%	0.573	73%	0.734	S	S	*	*			trans	75.3	76.6	140.8	71.7	0	0	0	0	121.2	G11	S9-G11 PolarHBondContact O-N 2.88Å
10	I	46.5	Very low	45.6	Very low	157 Å²	157	126 Å²	126	81%	0.805	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	-28.3	154.3	-68.9	170.8	0	0	0	111.4	C12 R13	I10-C12 VanDerWaalsContact C-N 3.25Å; I10-C12 PolarHBondContact O-N 3.38Å; I10-C12 VanDerWaalsContact O-N 3.17Å; I10-R13 PolarHBondContact O-N 3.23Å
11	G	44.2	Very low	46.4	Very low	50 Å²	50	125 Å²	125	52%	0.515	72%	0.717	S	S	.	*	H	α-helix	trans	-63.1	-19	-178.3	0	0	0	0	0	116.2	S9	S9-G11 PolarHBondContact O-N 2.88Å
12	C	43	Very low	47.5	Very low	84 Å²	84	114.9 Å²	114.9	57%	0.568	68%	0.676	S	S	*	*	H	α-helix	trans	-76.1	-35.6	-179	-151.1	0	0	0	0	112.3	I10 L16	I10-C12 VanDerWaalsContact C-N 3.25Å; I10-C12 PolarHBondContact O-N 3.38Å; I10-C12 VanDerWaalsContact O-N 3.17Å; C12-L16 PolarHBondContact O-N 3.48Å
13	R	48.2	Very low	48.6	Very low	220 Å²	220	112.3 Å²	112.3	83%	0.83	66%	0.655	S	S	*	*	H	α-helix	trans	-71.2	-32.7	179.1	-67.4	-171.4	177.7	-162.2	-0.9	112.9	I10 L17	I10-R13 PolarHBondContact O-N 3.23Å; R13-L17 PolarHBondContact O-N 3.39Å
14	L	50.5	Low	49.6	Very low	112 Å²	112	110.3 Å²	110.3	59%	0.586	64%	0.637	S	S	*	*	H	α-helix	trans	-69.4	-39	179.7	-130.9	75.9	0	0	0	112.6	L17 Q18	L14-L17 PolarHBondContact O-N 3.26Å; L14-Q18 PolarHBondContact O-N 3.31Å; L14-Q18 VanDerWaalsContact O-N 3.15Å
15	R	51.9	Low	50.8	Low	188 Å²	188	113.8 Å²	113.8	71%	0.709	63%	0.633	S	S	*	*	H	α-helix	trans	-66.2	-37.4	176.6	-75.8	-171.9	172.2	-163.3	-2	112.6	L17 Q18 L19	R15-L17 VanDerWaalsContact C-N 3.33Å; R15-L17 PolarHBondContact O-N 3.18Å; R15-Q18 PolarHBondContact O-N 3.04Å; R15-L19 WeakPolarHBondContact O-CG 3.37Å; R15-L19 PolarHBondContact O-N 3.41Å; R15-L19 VanDerWaalsContact O-N 3.07Å
16	L	52.7	Low	51.6	Low	114 Å²	114	112.6 Å²	112.6	60%	0.597	62%	0.623	S	S	*	*	H	α-helix	trans	-63.7	-40.1	177.1	-141	83.2	0	0	0	111.6	C12 L19 L20	C12-L16 PolarHBondContact O-N 3.48Å; L16-L19 PolarHBondContact O-N 3.08Å; L16-L20 WeakPolarHBondContact O-CG 3.24Å; L16-L20 PolarHBondContact O-N 3.37Å; L16-L20 VanDerWaalsContact O-N 3.1Å
17	L	54.4	Low	52.1	Low	104 Å²	104	112.2 Å²	112.2	55%	0.545	61%	0.613	S	S	.	*	H	α-helix	trans	-68.2	-40.8	178.8	-163.8	70.3	0	0	0	112.1	R13 L14 R15 L20 I21	R13-L17 PolarHBondContact O-N 3.39Å; L14-L17 PolarHBondContact O-N 3.26Å; R15-L17 VanDerWaalsContact C-N 3.33Å; R15-L17 PolarHBondContact O-N 3.18Å; L17-L20 PolarHBondContact O-N 3.11Å; L17-I21 HydrophobicContact CG-CD1 4.09Å; L17-I21 VanDerWaalsContact O-CG1 3.31Å; L17-I21 WeakPolarHBondContact O-CG1 3.32Å; L17-I21 PolarHBondContact O-N 2.63Å
18	Q	54.6	Low	52.7	Low	136 Å²	136	111.3 Å²	111.3	64%	0.636	60%	0.599	S	S	*	*	H	α-helix	trans	-63.9	-39.1	174.5	-75.3	-178.6	-33	0	0	112.7	L14 R15 G22	L14-Q18 PolarHBondContact O-N 3.31Å; L14-Q18 VanDerWaalsContact O-N 3.15Å; R15-Q18 PolarHBondContact O-N 3.04Å; Q18-G22 PolarHBondContact O-N 2.76Å
19	L	57.3	Low	53.2	Low	127 Å²	127	110.2 Å²	110.2	67%	0.665	59%	0.59	S	S	*	*	H	α-helix	trans	-64.9	-41	175.6	-78.7	163.1	0	0	0	112.4	R15 L16 G22 A23	R15-L19 WeakPolarHBondContact O-CG 3.37Å; R15-L19 PolarHBondContact O-N 3.41Å; R15-L19 VanDerWaalsContact O-N 3.07Å; L16-L19 PolarHBondContact O-N 3.08Å; L19-G22 PolarHBondContact O-N 2.98Å; L19-A23 WeakPolarHBondContact O-CB 3.36Å; L19-A23 PolarHBondContact O-N 3.42Å
20	L	58.7	Low	53.4	Low	108 Å²	108	109.9 Å²	109.9	57%	0.565	59%	0.587	S	S	*	*	H	α-helix	trans	-67.5	-43.1	177.3	-74.1	165.5	0	0	0	112.4	L16 L17 A23 V24	L16-L20 WeakPolarHBondContact O-CG 3.24Å; L16-L20 PolarHBondContact O-N 3.37Å; L16-L20 VanDerWaalsContact O-N 3.1Å; L17-L20 PolarHBondContact O-N 3.11Å; L20-A23 PolarHBondContact O-N 3.29Å; L20-V24 WeakPolarHBondContact O-CG2 3.47Å; L20-V24 PolarHBondContact O-N 2.91Å
21	I	62.2	Low	53.1	Low	106 Å²	106	105.1 Å²	105.1	54%	0.544	58%	0.577	S	S	.	*	H	α-helix	trans	-64.6	-41.4	176.3	-66.9	166.4	0	0	0	110.6	L17 V24 F25	L17-I21 HydrophobicContact CG-CD1 4.09Å; L17-I21 VanDerWaalsContact O-CG1 3.31Å; L17-I21 WeakPolarHBondContact O-CG1 3.32Å; L17-I21 PolarHBondContact O-N 2.63Å; I21-V24 PolarHBondContact O-N 2.72Å; I21-F25 WeakPolarHBondContact O-CB 3.08Å; I21-F25 PolarHBondContact O-N 2.87Å
22	G	61.1	Low	53	Low	35 Å²	35	111.5 Å²	111.5	36%	0.361	59%	0.591	S	S	.	*	H	α-helix	trans	-60.6	-44.3	174.5	0	0	0	0	0	113	Q18 L19 F25 V26	Q18-G22 PolarHBondContact O-N 2.76Å; L19-G22 PolarHBondContact O-N 2.98Å; G22-F25 PolarHBondContact O-N 2.77Å; G22-V26 WeakPolarHBondContact O-CG2 3.15Å; G22-V26 PolarHBondContact O-N 2.67Å
23	A	59.4	Low	52.6	Low	52 Å²	52	110 Å²	110	43%	0.43	59%	0.589	S	S	.	*	H	α-helix	trans	-63.6	-41.8	177.2	0	0	0	0	0	112.7	L19 L20 V26 L27	L19-A23 WeakPolarHBondContact O-CB 3.36Å; L19-A23 PolarHBondContact O-N 3.42Å; L20-A23 PolarHBondContact O-N 3.29Å; A23-V26 PolarHBondContact O-N 3.49Å; A23-L27 WeakPolarHBondContact O-CB 3.5Å; A23-L27 WeakPolarHBondContact O-CG 3.21Å; A23-L27 PolarHBondContact O-N 2.82Å
24	V	61.8	Low	52.2	Low	83 Å²	83	104.2 Å²	104.2	50%	0.503	58%	0.582	S	S	.	*	H	α-helix	trans	-66.2	-38.4	175.8	171.8	0	0	0	0	111.3	L20 I21 L27 L28	L20-V24 WeakPolarHBondContact O-CG2 3.47Å; L20-V24 PolarHBondContact O-N 2.91Å; I21-V24 PolarHBondContact O-N 2.72Å; V24-L27 PolarHBondContact O-N 3.14Å; V24-L28 HydrophobicContact CG1-CD1 3.9Å; V24-L28 WeakPolarHBondContact O-CB 3.26Å; V24-L28 WeakPolarHBondContact O-CG 3.33Å; V24-L28 PolarHBondContact O-N 3.33Å
25	F	57.5	Low	51.5	Low	144 Å²	144	103.6 Å²	103.6	63%	0.632	59%	0.594	S	S	*	*	H	α-helix	trans	-67.1	-39.4	176.3	-152.2	-93.7	0	0	0	111.9	I21 G22 L28 V29	I21-F25 WeakPolarHBondContact O-CB 3.08Å; I21-F25 PolarHBondContact O-N 2.87Å; G22-F25 PolarHBondContact O-N 2.77Å; F25-L28 PolarHBondContact O-N 3.13Å; F25-V29 HydrophobicContact CD1-CG2 3.86Å; F25-V29 HydrophobicContact CE1-CG2 3.81Å; F25-V29 WeakPolarHBondContact O-CB 3.49Å; F25-V29 VanDerWaalsContact O-CG2 3.29Å; F25-V29 WeakPolarHBondContact O-CG2 3.48Å; F25-V29 PolarHBondContact O-N 3.15Å
26	V	59	Low	51.2	Low	100 Å²	100	101.9 Å²	101.9	61%	0.606	60%	0.598	S	S	*	*	H	α-helix	trans	-64.9	-38.5	173.3	171.1	0	0	0	0	111.7	G22 A23 S30	G22-V26 WeakPolarHBondContact O-CG2 3.15Å; G22-V26 PolarHBondContact O-N 2.67Å; A23-V26 PolarHBondContact O-N 3.49Å; V26-S30 WeakPolarHBondContact O-CB 3.5Å; V26-S30 PolarHBondContact O-N 2.84Å; V26-S30 PolarHBondContact O-OG 2.83Å
27	L	52.8	Low	51.3	Low	122 Å²	122	100 Å²	100	64%	0.639	61%	0.607	S	S	*	*	H	α-helix	trans	-66.8	-38.2	174.1	-79.3	163	0	0	0	112.6	A23 V24 S30 G31	A23-L27 WeakPolarHBondContact O-CB 3.5Å; A23-L27 WeakPolarHBondContact O-CG 3.21Å; A23-L27 PolarHBondContact O-N 2.82Å; V24-L27 PolarHBondContact O-N 3.14Å; L27-S30 WeakPolarHBondContact CA-OG 3.3Å; L27-S30 PolarHBondContact O-OG 3.39Å; L27-G31 PolarHBondContact O-N 3.17Å
28	L	48.9	Very low	52.1	Low	97 Å²	97	101.9 Å²	101.9	51%	0.508	61%	0.612	S	S	.	*	H	α-helix	trans	-69.6	-43.4	175.2	-76.3	164.1	0	0	0	112.3	V24 F25 G31 F32	V24-L28 HydrophobicContact CG1-CD1 3.9Å; V24-L28 WeakPolarHBondContact O-CB 3.26Å; V24-L28 WeakPolarHBondContact O-CG 3.33Å; V24-L28 PolarHBondContact O-N 3.33Å; F25-L28 PolarHBondContact O-N 3.13Å; L28-G31 PolarHBondContact O-N 2.86Å; L28-F32 WeakPolarHBondContact O-CD2 3.2Å; L28-F32 PolarHBondContact O-N 2.79Å; L28-F32 VanDerWaalsContact O-N 3.17Å
29	V	50.9	Low	53.4	Low	94 Å²	94	101.8 Å²	101.8	57%	0.57	61%	0.61	S	S	*	*	H	α-helix	trans	-68.5	-34	178.1	172.3	0	0	0	0	111.8	F25	F25-V29 HydrophobicContact CD1-CG2 3.86Å; F25-V29 HydrophobicContact CE1-CG2 3.81Å; F25-V29 WeakPolarHBondContact O-CB 3.49Å; F25-V29 VanDerWaalsContact O-CG2 3.29Å; F25-V29 WeakPolarHBondContact O-CG2 3.48Å; F25-V29 PolarHBondContact O-N 3.15Å
30	S	45.1	Very low	54.8	Low	74 Å²	74	97.7 Å²	97.7	52%	0.517	59%	0.59	S	S	.	*	H	α-helix	trans	-75.9	-27.9	172.3	53.1	0	0	0	0	113.3	V26 L27	V26-S30 WeakPolarHBondContact O-CB 3.5Å; V26-S30 PolarHBondContact O-N 2.84Å; V26-S30 PolarHBondContact O-OG 2.83Å; L27-S30 WeakPolarHBondContact CA-OG 3.3Å; L27-S30 PolarHBondContact O-OG 3.39Å
31	G	41.9	Very low	56.4	Low	57 Å²	57	94.8 Å²	94.8	59%	0.588	57%	0.572	S	S	*	*	H	α-helix	trans	-68.9	-32.2	174.3	0	0	0	0	0	114.6	L27 L28	L27-G31 PolarHBondContact O-N 3.17Å; L28-G31 PolarHBondContact O-N 2.86Å
32	F	41.2	Very low	57.8	Low	185 Å²	185	90.9 Å²	90.9	81%	0.811	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	-0.4	-179.2	-89.6	-91.8	0	0	0	115	L28 S34	L28-F32 WeakPolarHBondContact O-CD2 3.2Å; L28-F32 PolarHBondContact O-N 2.79Å; L28-F32 VanDerWaalsContact O-N 3.17Å; F32-S34 PolarHBondContact O-N 3.47Å
33	G	35.7	Very low	59.4	Low	52 Å²	52	90.4 Å²	90.4	54%	0.536	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-6.5	-177.8	0	0	0	0	0	116.5
34	S	39.1	Very low	61.1	Low	98 Å²	98	89 Å²	89	69%	0.685	53%	0.528	S	S	*	.			trans	-119.7	59.1	-169.1	-65.4	0	0	0	0	114.2	F32	F32-S34 PolarHBondContact O-N 3.47Å
35	A	36	Very low	62.7	Low	100 Å²	100	85.1 Å²	85.1	83%	0.826	50%	0.504	S	S	*	.			trans	-118.1	10.9	163.7	0	0	0	0	0	113.4
36	L	45.3	Very low	64.5	Low	151 Å²	151	79.1 Å²	79.1	79%	0.791	48%	0.481	S	S	*	.	S	Bend	trans	-74.7	123.6	164.2	-87.1	84.6	0	0	0	109.3	H38	L36-H38 PolarHBondContact O-N 3.16Å
37	G	54.8	Low	66.2	Low	76 Å²	76	74.3 Å²	74.3	78%	0.784	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-52.5	122.4	-179	0	0	0	0	0	112.7	K39	G37-K39 PolarHBondContact O-N 2.92Å
38	H	70.1	Confident	68.3	Low	143 Å²	143	70.4 Å²	70.4	66%	0.662	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-59.6	127.7	-176.2	-68.3	-56.6	0	0	0	112.1	L36 V40 L88	L36-H38 PolarHBondContact O-N 3.16Å; H38-V40 PolarHBondContact O-N 3.27Å; H38-L88 HydrophobicContact CB-CD2 4.14Å
39	K	82.2	Confident	70.5	Confident	134 Å²	134	65.8 Å²	65.8	58%	0.583	41%	0.407	S	S	*	.			trans	-66.4	114.3	173.8	-68.5	-178.7	-179.2	179.9	0	109.6	G37 Y41 V111	G37-K39 PolarHBondContact O-N 2.92Å; K39-Y41 HydrophobicContact CB-CE2 4.01Å; K39-Y41 WeakPolarHBondContact O-CD2 3.48Å; K39-Y41 PolarHBondContact O-N 2.99Å; K39-V111 HydrophobicContact CB-CG1 3.87Å; K39-V111 HydrophobicContact CG-CG1 4.3Å
40	V	88.1	Confident	72.3	Confident	41 Å²	41	64.9 Å²	64.9	25%	0.248	40%	0.403	C	S	.	.			trans	-89.2	100.5	173.8	-178.9	0	0	0	0	109.4	H38 R86 S87 L88 S112	H38-V40 PolarHBondContact O-N 3.27Å; V40-R86 HydrophobicContact CG1-CB 3.84Å; V40-R86 HydrophobicContact CG1-CG 3.98Å; V40-S87 CarbonylContact C-O 3.58Å; V40-S87 WeakPolarHBondContact CA-O 3.34Å; V40-L88 HydrophobicContact CG2-CD2 4.28Å; V40-S112 WeakPolarHBondContact O-CB 3.47Å; V40-S112 PolarHBondContact O-N 2.85Å
41	Y	90.7	Very high	74.3	Confident	46 Å²	46	63.6 Å²	63.6	18%	0.18	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	147.5	175.4	-60.9	-89.1	0	0	0	111.1	K39 R86 S87 D90 Q109 V111	K39-Y41 HydrophobicContact CB-CE2 4.01Å; K39-Y41 WeakPolarHBondContact O-CD2 3.48Å; K39-Y41 PolarHBondContact O-N 2.99Å; Y41-R86 CarbonylContact O-C 3.57Å; Y41-R86 VanDerWaalsContact O-CA 3.3Å; Y41-R86 WeakPolarHBondContact O-CA 3.43Å; Y41-S87 PolarHBondContact N-O 3.44Å; Y41-S87 PolarHBondContact O-N 3.3Å; Y41-D90 HydrophobicContact CD1-CB 4.16Å; Y41-D90 HydrophobicContact CE1-CB 3.88Å; Y41-D90 HydrophobicContact CE2-CB 4.37Å; Y41-Q109 HydrophobicContact CD1-CG 4.46Å; Y41-V111 HydrophobicContact CD1-CG2 3.64Å; Y41-V111 HydrophobicContact CE1-CG2 3.67Å; Y41-V111 HydrophobicContact CG-CG2 4.39Å
42	T	92.5	Very high	76.5	Confident	24 Å²	24	61.7 Å²	61.7	15%	0.147	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	175	178.3	70.1	0	0	0	0	111.6	T44 K85 Q109 Q110	T42-T44 PolarHBondContact O-N 3.42Å; T42-T44 PolarHBondContact OG1-N 3Å; T42-T44 PolarHBondContact OG1-OG1 2.77Å; T42-T44 VanDerWaalsContact OG1-OG1 3.06Å; T42-K85 WeakPolarHBondContact CA-O 3.44Å; T42-Q109 PolarHBondContact O-NE2 2.92Å; T42-Q110 WeakPolarHBondContact CB-O 3.32Å; T42-Q110 WeakPolarHBondContact CG2-O 3.46Å; T42-Q110 PolarHBondContact N-O 3.31Å; T42-Q110 PolarHBondContact OG1-O 3.15Å
43	N	93.7	Very high	78.8	Confident	26 Å²	26	56.8 Å²	56.8	14%	0.139	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	22.5	171.8	67.6	-13.6	0	0	0	114.2	W45 R79 H80 V83	N43-W45 VanDerWaalsContact C-CZ3 3.46Å; N43-W45 WeakPolarHBondContact O-CZ3 3.43Å; N43-R79 WeakPolarHBondContact O-CA 3.44Å; N43-R79 WeakPolarHBondContact O-CG 3.42Å; N43-H80 PolarHBondContact O-N 2.81Å; N43-V83 HydrophobicContact CB-CB 3.8Å; N43-V83 HydrophobicContact CB-CG1 3.84Å; N43-V83 WeakPolarHBondContact CB-O 3.46Å; N43-V83 PolarHBondContact ND2-O 3.02Å
44	T	95.1	Very high	81.5	Confident	23 Å²	23	61.8 Å²	61.8	14%	0.141	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	155.8	177.7	64.7	0	0	0	0	112.6	T42 H77 F78 R79 Q110	T42-T44 PolarHBondContact O-N 3.42Å; T42-T44 PolarHBondContact OG1-N 3Å; T42-T44 PolarHBondContact OG1-OG1 2.77Å; T42-T44 VanDerWaalsContact OG1-OG1 3.06Å; T44-H77 VanDerWaalsContact CB-NE2 3.27Å; T44-H77 WeakPolarHBondContact CB-NE2 3.37Å; T44-H77 WeakPolarHBondContact CG2-NE2 3.42Å; T44-F78 CarbonylContact C-O 3.53Å; T44-F78 WeakPolarHBondContact CA-O 3.3Å; T44-F78 WeakPolarHBondContact CB-O 3.36Å; T44-R79 HydrophobicContact CG2-CB 3.97Å; T44-R79 HydrophobicContact CG2-CG 3.89Å; T44-Q110 PolarHBondContact O-N 2.99Å
45	W	95.7	Very high	84.1	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	142.5	-176.6	-81.5	-103.2	0	0	0	109.3	N43 V47 F65 H77 F78 H80 V83 H91 A94 Q95 L98 E108 Q109	N43-W45 VanDerWaalsContact C-CZ3 3.46Å; N43-W45 WeakPolarHBondContact O-CZ3 3.43Å; W45-V47 HydrophobicContact CB-CG2 3.97Å; W45-F65 AromaticContact CD2-CE1 3.7Å; W45-F65 HydrophobicContact CD2-CE1 3.7Å; W45-F65 HydrophobicContact CD2-CZ 4.42Å; W45-F65 HydrophobicContact CE3-CD1 4.22Å; W45-F65 AromaticContact CE3-CE1 3.52Å; W45-F65 HydrophobicContact CE3-CE1 3.52Å; W45-F65 HydrophobicContact CG-CE1 4.17Å; W45-F65 AromaticContact CZ3-CE1 3.96Å; W45-F65 HydrophobicContact CZ3-CE1 3.96Å; W45-H77 CarbonylContact O-C 2.94Å; W45-F78 HydrophobicContact CB-CB 4.24Å; W45-F78 PolarHBondContact N-O 3.1Å; W45-F78 PolarHBondContact O-N 2.8Å; W45-H80 HydrophobicContact CZ3-CB 3.87Å; W45-V83 HydrophobicContact CH2-CB 4.32Å; W45-V83 HydrophobicContact CH2-CG1 4.09Å; W45-V83 HydrophobicContact CH2-CG2 4.02Å; W45-V83 HydrophobicContact CZ3-CB 4.46Å; W45-V83 HydrophobicContact CZ3-CG1 4.48Å; W45-V83 HydrophobicContact CZ3-CG2 4.43Å; W45-H91 HydrophobicContact CH2-CB 4.14Å; W45-H91 HydrophobicContact CZ2-CB 4.14Å; W45-A94 HydrophobicContact CH2-CB 3.98Å; W45-A94 HydrophobicContact CZ2-CB 3.73Å; W45-Q95 VanDerWaalsContact CD1-OE1 3.3Å; W45-L98 HydrophobicContact CB-CD1 4.3Å; W45-L98 HydrophobicContact CG-CD1 4.04Å; W45-E108 VanDerWaalsContact CA-O 3.31Å; W45-E108 WeakPolarHBondContact CA-O 3.48Å; W45-Q109 HydrophobicContact CD2-CB 4.28Å; W45-Q109 HydrophobicContact CD2-CG 4.15Å; W45-Q109 HydrophobicContact CG-CB 4.49Å; W45-Q109 HydrophobicContact CH2-CG 4.03Å; W45-Q109 HydrophobicContact CZ2-CB 3.95Å; W45-Q109 HydrophobicContact CZ2-CG 3.58Å
46	A	95.3	Very high	86.8	Confident	18 Å²	18	54.1 Å²	54.1	15%	0.149	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	137.2	158.4	0	0	0	0	0	107.6	Y76 W106 S107 E108	A46-Y76 WeakPolarHBondContact CA-O 3.36Å; A46-W106 HydrophobicContact CB-CH2 3.95Å; A46-W106 HydrophobicContact CB-CZ3 3.67Å; A46-S107 CarbonylContact O-C 3.46Å; A46-S107 VanDerWaalsContact O-CA 3.25Å; A46-S107 WeakPolarHBondContact O-CA 3.34Å; A46-E108 PolarHBondContact N-O 2.83Å; A46-E108 PolarHBondContact O-N 3.23Å
47	V	95.4	Very high	89.2	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	133.9	-172.9	-166.8	0	0	0	0	109.4	W45 I49 Y75 Y76 F78 L98 V104 W106	W45-V47 HydrophobicContact CB-CG2 3.97Å; V47-I49 HydrophobicContact CB-CD1 4.43Å; V47-I49 HydrophobicContact CG1-CD1 3.85Å; V47-I49 HydrophobicContact CG1-CG1 3.85Å; V47-Y75 CarbonylContact O-C 3.31Å; V47-Y75 WeakPolarHBondContact O-CA 3.25Å; V47-Y76 PolarHBondContact N-O 3.35Å; V47-Y76 PolarHBondContact O-N 3.14Å; V47-F78 HydrophobicContact CB-CD2 4.36Å; V47-F78 HydrophobicContact CB-CE2 4.38Å; V47-F78 HydrophobicContact CG1-CE2 4.34Å; V47-F78 HydrophobicContact CG2-CB 4.09Å; V47-F78 HydrophobicContact CG2-CD1 4.44Å; V47-F78 HydrophobicContact CG2-CD2 3.64Å; V47-F78 HydrophobicContact CG2-CE2 4.12Å; V47-F78 HydrophobicContact CG2-CG 3.82Å; V47-L98 HydrophobicContact CG2-CD1 3.92Å; V47-V104 HydrophobicContact CG1-CB 4.39Å; V47-V104 HydrophobicContact CG1-CG1 3.59Å; V47-V104 HydrophobicContact CG1-CG2 3.92Å; V47-W106 WeakPolarHBondContact CA-O 3.2Å
48	H	95.7	Very high	91.1	Very high	40 Å²	40	52.6 Å²	52.6	19%	0.185	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	116.3	-179.4	-168.8	-115	0	0	0	111.2	D74 Y75 T105 W106	H48-D74 CarbonylContact C-O 3.6Å; H48-D74 WeakPolarHBondContact CA-O 3.48Å; H48-D74 PolarHBondContact CD2-O 3.21Å; H48-Y75 HydrophobicContact CB-CD1 3.91Å; H48-Y75 HydrophobicContact CB-CE1 3.73Å; H48-Y75 AromaticContact CD2-CD1 3.79Å; H48-Y75 AromaticContact CD2-CD2 3.48Å; H48-Y75 VanDerWaalsContact CD2-CD2 3.48Å; H48-Y75 WeakPolarHBondContact CD2-CD2 3.45Å; H48-Y75 AromaticContact CD2-CE1 3.63Å; H48-Y75 AromaticContact CD2-CE2 3.3Å; H48-Y75 WeakPolarHBondContact CD2-CE2 3.5Å; H48-Y75 AromaticContact CD2-CG 3.72Å; H48-Y75 AromaticContact CD2-CZ 3.38Å; H48-Y75 AromaticContact CG-CE1 3.87Å; H48-Y75 AromaticContact CG-CZ 3.9Å; H48-Y75 AromaticContact NE2-CE2 3.66Å; H48-Y75 AromaticContact NE2-CZ 3.95Å; H48-T105 PolarHBondContact ND1-OG1 3.26Å; H48-T105 PolarHBondContact O-N 3.06Å; H48-T105 PolarHBondContact O-OG1 3.16Å; H48-T105 VanDerWaalsContact O-OG1 3.11Å; H48-W106 HydrophobicContact CB-CB 4.02Å; H48-W106 HydrophobicContact CB-CE3 4.31Å; H48-W106 PolarHBondContact N-O 2.98Å
49	I	95.3	Very high	92.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.254	C	S	.	.			trans	-136.5	96.8	-169.1	-57.1	174.5	0	0	0	109.1	V47 G51 E55 A56 I59 D74 Y76 F78 V104	V47-I49 HydrophobicContact CB-CD1 4.43Å; V47-I49 HydrophobicContact CG1-CD1 3.85Å; V47-I49 HydrophobicContact CG1-CG1 3.85Å; I49-G51 PolarHBondContact O-N 3.17Å; I49-E55 HydrophobicContact CG2-CB 4.33Å; I49-E55 HydrophobicContact CG2-CG 3.97Å; I49-A56 HydrophobicContact CD1-CB 3.96Å; I49-I59 HydrophobicContact CD1-CB 4.26Å; I49-I59 HydrophobicContact CD1-CD1 4.02Å; I49-I59 HydrophobicContact CD1-CG2 4.16Å; I49-I59 HydrophobicContact CG1-CD1 4.38Å; I49-I59 HydrophobicContact CG2-CD1 3.68Å; I49-D74 PolarHBondContact N-O 2.87Å; I49-Y76 HydrophobicContact CB-CD2 3.98Å; I49-Y76 HydrophobicContact CB-CE2 4.01Å; I49-Y76 HydrophobicContact CD1-CD2 4.38Å; I49-Y76 HydrophobicContact CG1-CD2 4.36Å; I49-Y76 WeakPolarHBondContact O-CE2 3.39Å; I49-F78 HydrophobicContact CD1-CE1 4.31Å; I49-F78 HydrophobicContact CD1-CE2 4.09Å; I49-F78 HydrophobicContact CD1-CZ 3.49Å; I49-F78 VanDerWaalsContact CD1-CZ 3.49Å; I49-V104 HydrophobicContact CD1-CG2 4.35Å; I49-V104 HydrophobicContact CG1-CG2 4.17Å
50	P	90.4	Very high	92.8	Very high	74 Å²	74	39.6 Å²	39.6	48%	0.481	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	3.7	-176.8	-23.1	34.9	0	0	0	116.6	T105	P50-T105 HydrophobicContact CG-CG2 4.04Å
51	G	86.8	Confident	93	Very high	47 Å²	47	46 Å²	46	49%	0.485	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	7.4	-176.7	0	0	0	0	0	115.1	I49 E55	I49-G51 PolarHBondContact O-N 3.17Å; G51-E55 WeakPolarHBondContact O-CB 3.23Å
52	G	88.6	Confident	93.1	Very high	17 Å²	17	50.5 Å²	50.5	18%	0.175	27%	0.272	C	S	.	.	H	α-helix	trans	77.3	-179.5	-178.6	0	0	0	0	0	115.3	E54 E55 A56 Y76	G52-E54 PolarHBondContact O-N 2.79Å; G52-E55 PolarHBondContact O-N 3.25Å; G52-A56 PolarHBondContact O-N 3.24Å; G52-A56 VanDerWaalsContact O-N 3.11Å; G52-Y76 VanDerWaalsContact CA-OH 3.3Å; G52-Y76 WeakPolarHBondContact CA-OH 3.31Å
53	P	89.5	Confident	93.2	Very high	82 Å²	82	50.5 Å²	50.5	53%	0.532	27%	0.27	S	S	.	.	H	α-helix	trans	-64.8	-35.7	-168.9	-24.6	35.1	0	0	0	114.7	A56 D57 Y76	P53-A56 WeakPolarHBondContact O-CB 3.41Å; P53-A56 PolarHBondContact O-N 3.11Å; P53-D57 PolarHBondContact O-N 3.28Å; P53-Y76 HydrophobicContact CB-CE1 4.24Å; P53-Y76 HydrophobicContact CG-CE1 4.27Å
54	E	91.9	Very high	93	Very high	158 Å²	158	51.4 Å²	51.4	74%	0.738	29%	0.285	S	S	*	.	H	α-helix	trans	-65.2	-40.4	179.4	-62	-178.2	178.3	0	0	111.7	G52 D57 Q58	G52-E54 PolarHBondContact O-N 2.79Å; E54-D57 PolarHBondContact O-N 3.04Å; E54-Q58 WeakPolarHBondContact O-CG 3.42Å; E54-Q58 PolarHBondContact O-N 3.23Å; E54-Q58 VanDerWaalsContact O-N 3.08Å
55	E	93.2	Very high	93	Very high	36 Å²	36	50.7 Å²	50.7	17%	0.168	28%	0.28	C	S	.	.	H	α-helix	trans	-67.5	-40.3	174.8	-171.2	70.3	-121.1	0	0	111.1	I49 G51 G52 D57 Q58 I59 K103	I49-E55 HydrophobicContact CG2-CB 4.33Å; I49-E55 HydrophobicContact CG2-CG 3.97Å; G51-E55 WeakPolarHBondContact O-CB 3.23Å; G52-E55 PolarHBondContact O-N 3.25Å; E55-D57 VanDerWaalsContact C-N 3.32Å; E55-D57 PolarHBondContact O-N 3.04Å; E55-Q58 PolarHBondContact O-N 3.09Å; E55-I59 HydrophobicContact CG-CD1 3.85Å; E55-I59 WeakPolarHBondContact O-CG1 3.18Å; E55-I59 PolarHBondContact O-N 3.38Å; E55-K103 HydrophobicContact CG-CD 3.93Å; E55-K103 WeakPolarHBondContact OE1-CD 3.22Å; E55-K103 WeakPolarHBondContact OE1-CE 3.44Å; E55-K103 IonicContact OE1-NZ 3.29Å; E55-K103 PolarHBondContact OE1-NZ 2.87Å; E55-K103 IonicContact OE2-NZ 3.02Å; E55-K103 PolarHBondContact OE2-NZ 3.13Å
56	A	93.3	Very high	92.9	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60.5	-40	174.8	0	0	0	0	0	112.3	I49 G52 P53 I59 A60 Y76 F78	I49-A56 HydrophobicContact CD1-CB 3.96Å; G52-A56 PolarHBondContact O-N 3.24Å; G52-A56 VanDerWaalsContact O-N 3.11Å; P53-A56 WeakPolarHBondContact O-CB 3.41Å; P53-A56 PolarHBondContact O-N 3.11Å; A56-I59 PolarHBondContact O-N 3.23Å; A56-A60 VanDerWaalsContact O-CB 3.26Å; A56-A60 WeakPolarHBondContact O-CB 3.37Å; A56-A60 PolarHBondContact O-N 2.9Å; A56-Y76 HydrophobicContact CB-CD1 3.57Å; A56-Y76 HydrophobicContact CB-CD2 3.71Å; A56-Y76 HydrophobicContact CB-CE1 3.78Å; A56-Y76 HydrophobicContact CB-CE2 3.92Å; A56-Y76 HydrophobicContact CB-CG 3.54Å; A56-F78 HydrophobicContact CB-CE1 4.29Å; A56-F78 HydrophobicContact CB-CZ 4.37Å; A56-F78 WeakPolarHBondContact O-CZ 3.48Å
57	D	94.8	Very high	92.9	Very high	82 Å²	82	53.5 Å²	53.5	44%	0.439	29%	0.292	S	S	.	.	H	α-helix	trans	-66.7	-38.7	174.5	-85.7	-1.3	0	0	0	113.2	P53 E54 E55 K61 N67	P53-D57 PolarHBondContact O-N 3.28Å; E54-D57 PolarHBondContact O-N 3.04Å; E55-D57 VanDerWaalsContact C-N 3.32Å; E55-D57 PolarHBondContact O-N 3.04Å; D57-K61 PolarHBondContact O-N 3.12Å; D57-N67 WeakPolarHBondContact OD1-CB 3.4Å; D57-N67 PolarHBondContact OD1-ND2 2.99Å
58	Q	93.9	Very high	92.7	Very high	114 Å²	114	57.8 Å²	57.8	53%	0.533	31%	0.312	S	S	.	.	H	α-helix	trans	-63.1	-48.2	174.1	-71.6	-179.6	38.6	0	0	111.3	E54 E55 K61 K62	E54-Q58 WeakPolarHBondContact O-CG 3.42Å; E54-Q58 PolarHBondContact O-N 3.23Å; E54-Q58 VanDerWaalsContact O-N 3.08Å; E55-Q58 PolarHBondContact O-N 3.09Å; Q58-K61 PolarHBondContact O-N 3.39Å; Q58-K62 VanDerWaalsContact O-CB 3.24Å; Q58-K62 WeakPolarHBondContact O-CB 3.11Å; Q58-K62 PolarHBondContact O-N 2.7Å
59	I	94.3	Very high	92.3	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.01	32%	0.317	C	S	.	.	H	α-helix	trans	-65.7	-40.1	179.2	-67	167.7	0	0	0	110.9	I49 E55 A56 K62 H63 F78 K103 V104	I49-I59 HydrophobicContact CD1-CB 4.26Å; I49-I59 HydrophobicContact CD1-CD1 4.02Å; I49-I59 HydrophobicContact CD1-CG2 4.16Å; I49-I59 HydrophobicContact CG1-CD1 4.38Å; I49-I59 HydrophobicContact CG2-CD1 3.68Å; E55-I59 HydrophobicContact CG-CD1 3.85Å; E55-I59 WeakPolarHBondContact O-CG1 3.18Å; E55-I59 PolarHBondContact O-N 3.38Å; A56-I59 PolarHBondContact O-N 3.23Å; I59-K62 PolarHBondContact O-N 3Å; I59-H63 PolarHBondContact O-CD2 2.87Å; I59-H63 PolarHBondContact O-N 2.9Å; I59-H63 VanDerWaalsContact O-N 3.13Å; I59-F78 HydrophobicContact CG2-CE2 4.13Å; I59-K103 HydrophobicContact CD1-CB 3.61Å; I59-K103 HydrophobicContact CD1-CD 4.31Å; I59-V104 HydrophobicContact CD1-CG2 4.43Å; I59-V104 HydrophobicContact CG2-CG2 3.76Å
60	A	93.7	Very high	92.1	Very high	2 Å²	2	62.6 Å²	62.6	2%	0.017	34%	0.342	C	S	.	.	H	α-helix	trans	-58.5	-52.4	174.5	0	0	0	0	0	111.3	A56 K62 H63 G64 F65 N67 F78	A56-A60 VanDerWaalsContact O-CB 3.26Å; A56-A60 WeakPolarHBondContact O-CB 3.37Å; A56-A60 PolarHBondContact O-N 2.9Å; A60-K62 PolarHBondContact O-N 2.84Å; A60-H63 PolarHBondContact O-N 3.4Å; A60-G64 PolarHBondContact O-N 2.77Å; A60-G64 VanDerWaalsContact O-N 3.14Å; A60-F65 CarbonylContact C-O 3.45Å; A60-F65 HydrophobicContact CB-CB 4.22Å; A60-F65 WeakPolarHBondContact O-CA 3.42Å; A60-F65 PolarHBondContact O-N 3.11Å; A60-F65 VanDerWaalsContact O-O 3.11Å; A60-N67 HydrophobicContact CB-CB 4Å; A60-F78 HydrophobicContact CB-CD1 4.32Å; A60-F78 HydrophobicContact CB-CD2 4.27Å; A60-F78 HydrophobicContact CB-CE1 3.96Å; A60-F78 HydrophobicContact CB-CE2 3.91Å; A60-F78 HydrophobicContact CB-CG 4.48Å; A60-F78 HydrophobicContact CB-CZ 3.75Å
61	K	93.4	Very high	92.1	Very high	175 Å²	175	62.8 Å²	62.8	76%	0.761	34%	0.342	S	S	*	.	H	α-helix	trans	-58.2	-47.9	176.2	-83.3	175.8	177.1	166.8	0	112.1	D57 Q58 H63 G64	D57-K61 PolarHBondContact O-N 3.12Å; Q58-K61 PolarHBondContact O-N 3.39Å; K61-H63 VanDerWaalsContact C-N 3.27Å; K61-H63 PolarHBondContact O-N 2.85Å; K61-G64 PolarHBondContact O-N 2.83Å
62	K	93.4	Very high	91.8	Very high	140 Å²	140	66.6 Å²	66.6	61%	0.609	35%	0.345	S	S	*	.	H	α-helix	trans	-53.3	-41.1	-179.3	-179.7	-177.2	178.2	-172.8	0	112.6	Q58 I59 A60 D101	Q58-K62 VanDerWaalsContact O-CB 3.24Å; Q58-K62 WeakPolarHBondContact O-CB 3.11Å; Q58-K62 PolarHBondContact O-N 2.7Å; I59-K62 PolarHBondContact O-N 3Å; A60-K62 PolarHBondContact O-N 2.84Å; K62-D101 VanDerWaalsContact CE-OD2 3.32Å; K62-D101 WeakPolarHBondContact CE-OD2 3.35Å; K62-D101 IonicContact NZ-OD1 3.68Å; K62-D101 IonicContact NZ-OD2 2.72Å; K62-D101 PolarHBondContact NZ-OD2 3.06Å
63	H	93.1	Very high	91.9	Very high	25 Å²	25	68.4 Å²	68.4	12%	0.116	36%	0.363	C	S	.	.	H	α-helix	trans	-99.1	3.6	-176.9	-65.8	-73	0	0	0	115	I59 A60 K61 F65 R97 L98 D101	I59-H63 PolarHBondContact O-CD2 2.87Å; I59-H63 PolarHBondContact O-N 2.9Å; I59-H63 VanDerWaalsContact O-N 3.13Å; A60-H63 PolarHBondContact O-N 3.4Å; K61-H63 VanDerWaalsContact C-N 3.27Å; K61-H63 PolarHBondContact O-N 2.85Å; H63-F65 HydrophobicContact CB-CD2 3.62Å; H63-F65 HydrophobicContact CB-CE2 3.69Å; H63-R97 PolarHBondContact CE1-O 2.94Å; H63-R97 PolarHBondContact O-NH1 2.9Å; H63-L98 HydrophobicContact CB-CD2 4.31Å; H63-D101 IonicContact CD2-OD2 3.08Å; H63-D101 IonicContact CE1-OD2 3.91Å; H63-D101 IonicContact NE2-OD2 2.68Å; H63-D101 PolarHBondContact NE2-OD2 3.12Å
64	G	91	Very high	92	Very high	44 Å²	44	67.2 Å²	67.2	45%	0.454	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	19.9	177.8	0	0	0	0	0	114.9	A60 K61	A60-G64 PolarHBondContact O-N 2.77Å; A60-G64 VanDerWaalsContact O-N 3.14Å; K61-G64 PolarHBondContact O-N 2.83Å
65	F	94.7	Very high	92.2	Very high	8 Å²	8	63.2 Å²	63.2	4%	0.035	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	165.3	173	-63.6	-100.1	0	0	0	111.4	W45 A60 H63 F78 R79 H80 A94 L98	W45-F65 AromaticContact CD2-CE1 3.7Å; W45-F65 HydrophobicContact CD2-CE1 3.7Å; W45-F65 HydrophobicContact CD2-CZ 4.42Å; W45-F65 HydrophobicContact CE3-CD1 4.22Å; W45-F65 AromaticContact CE3-CE1 3.52Å; W45-F65 HydrophobicContact CE3-CE1 3.52Å; W45-F65 HydrophobicContact CG-CE1 4.17Å; W45-F65 AromaticContact CZ3-CE1 3.96Å; W45-F65 HydrophobicContact CZ3-CE1 3.96Å; A60-F65 CarbonylContact C-O 3.45Å; A60-F65 HydrophobicContact CB-CB 4.22Å; A60-F65 WeakPolarHBondContact O-CA 3.42Å; A60-F65 PolarHBondContact O-N 3.11Å; A60-F65 VanDerWaalsContact O-O 3.11Å; H63-F65 HydrophobicContact CB-CD2 3.62Å; H63-F65 HydrophobicContact CB-CE2 3.69Å; F65-F78 HydrophobicContact CB-CB 4.08Å; F65-F78 HydrophobicContact CB-CD2 3.97Å; F65-F78 HydrophobicContact CB-CG 4.22Å; F65-F78 HydrophobicContact CD1-CB 3.84Å; F65-F78 HydrophobicContact CD1-CD2 4.38Å; F65-F78 HydrophobicContact CD2-CD2 4.5Å; F65-F78 HydrophobicContact CG-CB 4.2Å; F65-F78 HydrophobicContact CG-CD2 4.07Å; F65-R79 CarbonylContact C-O 3.4Å; F65-R79 WeakPolarHBondContact CA-O 3.42Å; F65-H80 HydrophobicContact CD1-CB 3.73Å; F65-H80 HydrophobicContact CE1-CB 3.76Å; F65-H80 AromaticContact CE1-CD2 3.97Å; F65-H80 AromaticContact CE2-CD2 3.89Å; F65-H80 HydrophobicContact CG-CB 4.45Å; F65-H80 HydrophobicContact CZ-CB 4.49Å; F65-H80 AromaticContact CZ-CD2 3.88Å; F65-A94 HydrophobicContact CZ-CB 3.96Å; F65-L98 HydrophobicContact CD2-CD2 4.09Å; F65-L98 HydrophobicContact CE1-CD1 3.95Å; F65-L98 HydrophobicContact CE2-CD1 3.94Å; F65-L98 HydrophobicContact CE2-CD2 3.69Å; F65-L98 HydrophobicContact CE2-CG 3.72Å; F65-L98 HydrophobicContact CZ-CD1 3.49Å; F65-L98 VanDerWaalsContact CZ-CD1 3.49Å; F65-L98 HydrophobicContact CZ-CD2 4.15Å; F65-L98 HydrophobicContact CZ-CG 3.74Å
66	I	94.3	Very high	92.3	Very high	50 Å²	50	61.7 Å²	61.7	26%	0.256	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	122.9	166.7	-64.6	175.3	0	0	0	106.8	F78 R79 R81	I66-F78 CarbonylContact O-C 3.59Å; I66-F78 WeakPolarHBondContact O-CA 2.94Å; I66-R79 PolarHBondContact N-O 3.42Å; I66-R79 PolarHBondContact O-N 2.91Å; I66-R81 HydrophobicContact CD1-CG 3.75Å
67	N	93.9	Very high	92.4	Very high	27 Å²	27	64.8 Å²	64.8	14%	0.144	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	127.5	167.9	-165.9	6	0	0	0	108.8	D57 A60 G69 F78	D57-N67 WeakPolarHBondContact OD1-CB 3.4Å; D57-N67 PolarHBondContact OD1-ND2 2.99Å; A60-N67 HydrophobicContact CB-CB 4Å; N67-G69 VanDerWaalsContact C-N 3.34Å; N67-G69 PolarHBondContact OD1-N 2.75Å; N67-G69 PolarHBondContact OD1-O 3.06Å; N67-F78 HydrophobicContact CB-CD1 4.2Å; N67-F78 HydrophobicContact CB-CE1 4.08Å
68	H	91.8	Very high	92.5	Very high	91 Å²	91	60.9 Å²	60.9	42%	0.421	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	2.5	170.4	-75.8	-92.3	0	0	0	112.1	H77 R79	H68-H77 HydrophobicContact CB-CB 4.3Å; H68-H77 WeakPolarHBondContact CB-O 3.36Å; H68-H77 PolarHBondContact N-O 3.34Å; H68-R79 WeakPolarHBondContact NE2-CB 3.28Å; H68-R79 WeakPolarHBondContact NE2-CD 3.3Å; H68-R79 PolarHBondContact NE2-NE 2.8Å; H68-R79 VanDerWaalsContact NE2-NE 3.11Å
69	G	88	Confident	92.5	Very high	27 Å²	27	59.8 Å²	59.8	28%	0.278	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	107.9	-173.2	177.4	0	0	0	0	0	113.4	N67 H77	N67-G69 VanDerWaalsContact C-N 3.34Å; N67-G69 PolarHBondContact OD1-N 2.75Å; N67-G69 PolarHBondContact OD1-O 3.06Å; G69-H77 PolarHBondContact O-N 2.9Å
70	H	91	Very high	92.4	Very high	113 Å²	113	60.4 Å²	60.4	52%	0.523	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	147	-178.4	-177.4	-109.4	0	0	0	112.4	F72 G73 Y76	H70-F72 VanDerWaalsContact CE1-CA 3.42Å; H70-F72 WeakPolarHBondContact CE1-CA 3.48Å; H70-G73 PolarHBondContact CD2-O 3.34Å; H70-G73 PolarHBondContact NE2-N 3.4Å; H70-G73 PolarHBondContact NE2-O 2.81Å; H70-Y76 HydrophobicContact CB-CE1 4.45Å
71	V	89.1	Confident	92.2	Very high	79 Å²	79	69.8 Å²	69.8	48%	0.479	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	-56.4	176	-169.7	0	0	0	0	110.2	Y75 H77	V71-Y75 PolarHBondContact N-O 2.71Å; V71-H77 HydrophobicContact CG2-CB 3.83Å
72	F	81.6	Confident	91.8	Very high	127 Å²	127	72.5 Å²	72.5	56%	0.557	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-170.9	156.8	167.5	55.7	-96.7	0	0	0	108.7	H70 D74 Y75	H70-F72 VanDerWaalsContact CE1-CA 3.42Å; H70-F72 WeakPolarHBondContact CE1-CA 3.48Å; F72-D74 PolarHBondContact O-N 2.78Å; F72-Y75 AromaticContact CD2-CD2 3.74Å; F72-Y75 HydrophobicContact CD2-CD2 3.74Å; F72-Y75 HydrophobicContact CD2-CE2 4.33Å; F72-Y75 AromaticContact CE2-CD2 3.32Å; F72-Y75 HydrophobicContact CE2-CD2 3.32Å; F72-Y75 AromaticContact CE2-CE2 3.62Å; F72-Y75 HydrophobicContact CE2-CE2 3.62Å; F72-Y75 HydrophobicContact CE2-CG 4.07Å; F72-Y75 AromaticContact CZ-CD2 3.98Å; F72-Y75 HydrophobicContact CZ-CD2 3.98Å; F72-Y75 HydrophobicContact CZ-CE2 4.33Å; F72-Y75 HydrophobicContact CZ-CG 4.3Å; F72-Y75 WeakPolarHBondContact O-CB 3.4Å; F72-Y75 PolarHBondContact O-N 3.32Å
73	G	89.4	Confident	91.6	Very high	54 Å²	54	66.3 Å²	66.3	56%	0.557	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	-123.6	177.7	0	0	0	0	0	112.5	H70	H70-G73 PolarHBondContact CD2-O 3.34Å; H70-G73 PolarHBondContact NE2-N 3.4Å; H70-G73 PolarHBondContact NE2-O 2.81Å
74	D	92.6	Very high	91.4	Very high	58 Å²	58	69.7 Å²	69.7	31%	0.31	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	24.1	172.8	-71	-50.7	0	0	0	113.1	H48 I49 F72 Y76	H48-D74 CarbonylContact C-O 3.6Å; H48-D74 WeakPolarHBondContact CA-O 3.48Å; H48-D74 PolarHBondContact CD2-O 3.21Å; I49-D74 PolarHBondContact N-O 2.87Å; F72-D74 PolarHBondContact O-N 2.78Å; D74-Y76 VanDerWaalsContact O-CD2 3.28Å; D74-Y76 WeakPolarHBondContact O-CD2 3.47Å; D74-Y76 WeakPolarHBondContact O-CE2 3.27Å
75	Y	95.6	Very high	91.2	Very high	73 Å²	73	75.2 Å²	75.2	29%	0.286	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	131.9	176.8	-66.1	-91.2	0	0	0	112.4	V47 H48 V71 F72 W106	V47-Y75 CarbonylContact O-C 3.31Å; V47-Y75 WeakPolarHBondContact O-CA 3.25Å; H48-Y75 HydrophobicContact CB-CD1 3.91Å; H48-Y75 HydrophobicContact CB-CE1 3.73Å; H48-Y75 AromaticContact CD2-CD1 3.79Å; H48-Y75 AromaticContact CD2-CD2 3.48Å; H48-Y75 VanDerWaalsContact CD2-CD2 3.48Å; H48-Y75 WeakPolarHBondContact CD2-CD2 3.45Å; H48-Y75 AromaticContact CD2-CE1 3.63Å; H48-Y75 AromaticContact CD2-CE2 3.3Å; H48-Y75 WeakPolarHBondContact CD2-CE2 3.5Å; H48-Y75 AromaticContact CD2-CG 3.72Å; H48-Y75 AromaticContact CD2-CZ 3.38Å; H48-Y75 AromaticContact CG-CE1 3.87Å; H48-Y75 AromaticContact CG-CZ 3.9Å; H48-Y75 AromaticContact NE2-CE2 3.66Å; H48-Y75 AromaticContact NE2-CZ 3.95Å; V71-Y75 PolarHBondContact N-O 2.71Å; F72-Y75 AromaticContact CD2-CD2 3.74Å; F72-Y75 HydrophobicContact CD2-CD2 3.74Å; F72-Y75 HydrophobicContact CD2-CE2 4.33Å; F72-Y75 AromaticContact CE2-CD2 3.32Å; F72-Y75 HydrophobicContact CE2-CD2 3.32Å; F72-Y75 AromaticContact CE2-CE2 3.62Å; F72-Y75 HydrophobicContact CE2-CE2 3.62Å; F72-Y75 HydrophobicContact CE2-CG 4.07Å; F72-Y75 AromaticContact CZ-CD2 3.98Å; F72-Y75 HydrophobicContact CZ-CD2 3.98Å; F72-Y75 HydrophobicContact CZ-CE2 4.33Å; F72-Y75 HydrophobicContact CZ-CG 4.3Å; F72-Y75 WeakPolarHBondContact O-CB 3.4Å; F72-Y75 PolarHBondContact O-N 3.32Å; Y75-W106 HydrophobicContact CD1-CE3 4.11Å; Y75-W106 AromaticContact CD1-CZ3 3.98Å; Y75-W106 HydrophobicContact CD1-CZ3 3.98Å; Y75-W106 AromaticContact CE1-CE3 3.74Å; Y75-W106 HydrophobicContact CE1-CE3 3.74Å; Y75-W106 AromaticContact CE1-CZ3 3.87Å; Y75-W106 HydrophobicContact CE1-CZ3 3.87Å
76	Y	96	Very high	90.7	Very high	4 Å²	4	83.8 Å²	83.8	2%	0.016	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	150.8	-177.5	-59.1	-86.6	0	0	0	111.6	A46 V47 I49 G52 P53 A56 H70 D74	A46-Y76 WeakPolarHBondContact CA-O 3.36Å; V47-Y76 PolarHBondContact N-O 3.35Å; V47-Y76 PolarHBondContact O-N 3.14Å; I49-Y76 HydrophobicContact CB-CD2 3.98Å; I49-Y76 HydrophobicContact CB-CE2 4.01Å; I49-Y76 HydrophobicContact CD1-CD2 4.38Å; I49-Y76 HydrophobicContact CG1-CD2 4.36Å; I49-Y76 WeakPolarHBondContact O-CE2 3.39Å; G52-Y76 VanDerWaalsContact CA-OH 3.3Å; G52-Y76 WeakPolarHBondContact CA-OH 3.31Å; P53-Y76 HydrophobicContact CB-CE1 4.24Å; P53-Y76 HydrophobicContact CG-CE1 4.27Å; A56-Y76 HydrophobicContact CB-CD1 3.57Å; A56-Y76 HydrophobicContact CB-CD2 3.71Å; A56-Y76 HydrophobicContact CB-CE1 3.78Å; A56-Y76 HydrophobicContact CB-CE2 3.92Å; A56-Y76 HydrophobicContact CB-CG 3.54Å; H70-Y76 HydrophobicContact CB-CE1 4.45Å; D74-Y76 VanDerWaalsContact O-CD2 3.28Å; D74-Y76 WeakPolarHBondContact O-CD2 3.47Å; D74-Y76 WeakPolarHBondContact O-CE2 3.27Å
77	H	95.3	Very high	90.5	Very high	66 Å²	66	82.8 Å²	82.8	31%	0.306	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	106.6	-178.9	177.1	-154.1	0	0	0	111	T44 W45 H68 G69 V71	T44-H77 VanDerWaalsContact CB-NE2 3.27Å; T44-H77 WeakPolarHBondContact CB-NE2 3.37Å; T44-H77 WeakPolarHBondContact CG2-NE2 3.42Å; W45-H77 CarbonylContact O-C 2.94Å; H68-H77 HydrophobicContact CB-CB 4.3Å; H68-H77 WeakPolarHBondContact CB-O 3.36Å; H68-H77 PolarHBondContact N-O 3.34Å; G69-H77 PolarHBondContact O-N 2.9Å; V71-H77 HydrophobicContact CG2-CB 3.83Å
78	F	96.5	Very high	90.1	Very high	0 Å²	0	87.6 Å²	87.6	0%	0	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	146.7	-178.3	-75.9	12.9	0	0	0	111.8	T44 W45 V47 I49 A56 I59 A60 F65 I66 N67 L98	T44-F78 CarbonylContact C-O 3.53Å; T44-F78 WeakPolarHBondContact CA-O 3.3Å; T44-F78 WeakPolarHBondContact CB-O 3.36Å; W45-F78 HydrophobicContact CB-CB 4.24Å; W45-F78 PolarHBondContact N-O 3.1Å; W45-F78 PolarHBondContact O-N 2.8Å; V47-F78 HydrophobicContact CB-CD2 4.36Å; V47-F78 HydrophobicContact CB-CE2 4.38Å; V47-F78 HydrophobicContact CG1-CE2 4.34Å; V47-F78 HydrophobicContact CG2-CB 4.09Å; V47-F78 HydrophobicContact CG2-CD1 4.44Å; V47-F78 HydrophobicContact CG2-CD2 3.64Å; V47-F78 HydrophobicContact CG2-CE2 4.12Å; V47-F78 HydrophobicContact CG2-CG 3.82Å; I49-F78 HydrophobicContact CD1-CE1 4.31Å; I49-F78 HydrophobicContact CD1-CE2 4.09Å; I49-F78 HydrophobicContact CD1-CZ 3.49Å; I49-F78 VanDerWaalsContact CD1-CZ 3.49Å; A56-F78 HydrophobicContact CB-CE1 4.29Å; A56-F78 HydrophobicContact CB-CZ 4.37Å; A56-F78 WeakPolarHBondContact O-CZ 3.48Å; I59-F78 HydrophobicContact CG2-CE2 4.13Å; A60-F78 HydrophobicContact CB-CD1 4.32Å; A60-F78 HydrophobicContact CB-CD2 4.27Å; A60-F78 HydrophobicContact CB-CE1 3.96Å; A60-F78 HydrophobicContact CB-CE2 3.91Å; A60-F78 HydrophobicContact CB-CG 4.48Å; A60-F78 HydrophobicContact CB-CZ 3.75Å; F65-F78 HydrophobicContact CB-CB 4.08Å; F65-F78 HydrophobicContact CB-CD2 3.97Å; F65-F78 HydrophobicContact CB-CG 4.22Å; F65-F78 HydrophobicContact CD1-CB 3.84Å; F65-F78 HydrophobicContact CD1-CD2 4.38Å; F65-F78 HydrophobicContact CD2-CD2 4.5Å; F65-F78 HydrophobicContact CG-CB 4.2Å; F65-F78 HydrophobicContact CG-CD2 4.07Å; I66-F78 CarbonylContact O-C 3.59Å; I66-F78 WeakPolarHBondContact O-CA 2.94Å; N67-F78 HydrophobicContact CB-CD1 4.2Å; N67-F78 HydrophobicContact CB-CE1 4.08Å; F78-L98 HydrophobicContact CD2-CD2 4.1Å; F78-L98 HydrophobicContact CE2-CD2 4.15Å
79	R	94.6	Very high	89.9	Confident	91 Å²	91	86.8 Å²	86.8	34%	0.343	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	127.3	173.6	-175.4	179.5	67.4	-175.5	-5.2	111.9	N43 T44 F65 I66 H68	N43-R79 WeakPolarHBondContact O-CA 3.44Å; N43-R79 WeakPolarHBondContact O-CG 3.42Å; T44-R79 HydrophobicContact CG2-CB 3.97Å; T44-R79 HydrophobicContact CG2-CG 3.89Å; F65-R79 CarbonylContact C-O 3.4Å; F65-R79 WeakPolarHBondContact CA-O 3.42Å; I66-R79 PolarHBondContact N-O 3.42Å; I66-R79 PolarHBondContact O-N 2.91Å; H68-R79 WeakPolarHBondContact NE2-CB 3.28Å; H68-R79 WeakPolarHBondContact NE2-CD 3.3Å; H68-R79 PolarHBondContact NE2-NE 2.8Å; H68-R79 VanDerWaalsContact NE2-NE 3.11Å
80	H	92.5	Very high	89.9	Confident	14 Å²	14	88.4 Å²	88.4	7%	0.065	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	113.7	178.3	-162.4	-83.6	0	0	0	111	N43 W45 F65 R82 V83 R97	N43-H80 PolarHBondContact O-N 2.81Å; W45-H80 HydrophobicContact CZ3-CB 3.87Å; F65-H80 HydrophobicContact CD1-CB 3.73Å; F65-H80 HydrophobicContact CE1-CB 3.76Å; F65-H80 AromaticContact CE1-CD2 3.97Å; F65-H80 AromaticContact CE2-CD2 3.89Å; F65-H80 HydrophobicContact CG-CB 4.45Å; F65-H80 HydrophobicContact CZ-CB 4.49Å; F65-H80 AromaticContact CZ-CD2 3.88Å; H80-R82 PolarHBondContact ND1-N 2.96Å; H80-R82 PolarHBondContact O-N 2.88Å; H80-R82 VanDerWaalsContact O-N 3.16Å; H80-V83 HydrophobicContact CB-CB 4.29Å; H80-V83 HydrophobicContact CB-CG2 3.95Å; H80-V83 PolarHBondContact O-N 2.81Å; H80-V83 VanDerWaalsContact O-N 3.12Å; H80-R97 PolarHBondContact NE2-NH2 3.33Å; H80-R97 VanDerWaalsContact NE2-NH2 3.17Å
81	R	87.8	Confident	89.9	Confident	200 Å²	200	86.5 Å²	86.5	76%	0.755	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-32.2	-175.1	-83	-170.2	174.3	159.1	8.4	114.1	I66	I66-R81 HydrophobicContact CD1-CG 3.75Å
82	R	86.6	Confident	89.7	Confident	232 Å²	232	90.9 Å²	90.9	88%	0.875	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-1.6	-178	-57.7	-179	179.6	166.8	-0.4	114.4	H80	H80-R82 PolarHBondContact ND1-N 2.96Å; H80-R82 PolarHBondContact O-N 2.88Å; H80-R82 VanDerWaalsContact O-N 3.16Å
83	V	88.8	Confident	90	Very high	9 Å²	9	87.1 Å²	87.1	6%	0.055	42%	0.416	C	S	.	.	S	Bend	trans	-96	137.2	175.7	177.9	0	0	0	0	109.2	N43 W45 H80 H91	N43-V83 HydrophobicContact CB-CB 3.8Å; N43-V83 HydrophobicContact CB-CG1 3.84Å; N43-V83 WeakPolarHBondContact CB-O 3.46Å; N43-V83 PolarHBondContact ND2-O 3.02Å; W45-V83 HydrophobicContact CH2-CB 4.32Å; W45-V83 HydrophobicContact CH2-CG1 4.09Å; W45-V83 HydrophobicContact CH2-CG2 4.02Å; W45-V83 HydrophobicContact CZ3-CB 4.46Å; W45-V83 HydrophobicContact CZ3-CG1 4.48Å; W45-V83 HydrophobicContact CZ3-CG2 4.43Å; H80-V83 HydrophobicContact CB-CB 4.29Å; H80-V83 HydrophobicContact CB-CG2 3.95Å; H80-V83 PolarHBondContact O-N 2.81Å; H80-V83 VanDerWaalsContact O-N 3.12Å; V83-H91 HydrophobicContact CG1-CB 4.24Å; V83-H91 HydrophobicContact CG2-CB 4.46Å
84	V	88.1	Confident	90	Very high	96 Å²	96	84.5 Å²	84.5	58%	0.582	39%	0.39	S	S	*	.			trans	-64.5	139.1	179.4	-67.5	0	0	0	0	111.4	R86	V84-R86 PolarHBondContact O-N 3.43Å; V84-R86 VanDerWaalsContact O-N 3.14Å
85	K	86.3	Confident	89.9	Confident	161 Å²	161	83.2 Å²	83.2	70%	0.7	38%	0.382	S	S	*	.	S	Bend	trans	-62.4	-24.1	-171.9	-171.6	177.1	178.2	-177.5	0	114	T42	T42-K85 WeakPolarHBondContact CA-O 3.44Å
86	R	86.3	Confident	89.6	Confident	188 Å²	188	82.3 Å²	82.3	71%	0.709	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.8	133.5	174.9	-70	-177.9	175.1	167.7	-2.2	109	V40 Y41 V84	V40-R86 HydrophobicContact CG1-CB 3.84Å; V40-R86 HydrophobicContact CG1-CG 3.98Å; Y41-R86 CarbonylContact O-C 3.57Å; Y41-R86 VanDerWaalsContact O-CA 3.3Å; Y41-R86 WeakPolarHBondContact O-CA 3.43Å; V84-R86 PolarHBondContact O-N 3.43Å; V84-R86 VanDerWaalsContact O-N 3.14Å
87	S	88.1	Confident	89.4	Confident	29 Å²	29	86.7 Å²	86.7	20%	0.203	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	151.6	178.3	-178.9	0	0	0	0	110.3	V40 Y41 S89	V40-S87 CarbonylContact C-O 3.58Å; V40-S87 WeakPolarHBondContact CA-O 3.34Å; Y41-S87 PolarHBondContact N-O 3.44Å; Y41-S87 PolarHBondContact O-N 3.3Å; S87-S89 WeakPolarHBondContact CB-O 3.35Å; S87-S89 PolarHBondContact OG-N 2.98Å; S87-S89 VanDerWaalsContact OG-N 3.1Å; S87-S89 PolarHBondContact OG-O 3.22Å; S87-S89 PolarHBondContact OG-OG 3.33Å
88	L	87.1	Confident	89.2	Confident	128 Å²	128	83.5 Å²	83.5	67%	0.67	39%	0.385	S	S	*	.	S	Bend	trans	-87.6	-9	170.4	-62.2	177	0	0	0	112.7	H38 V40	H38-L88 HydrophobicContact CB-CD2 4.14Å; V40-L88 HydrophobicContact CG2-CD2 4.28Å
89	S	86.6	Confident	88.9	Confident	73 Å²	73	88.5 Å²	88.5	51%	0.51	41%	0.409	S	S	.	.	S	Bend	trans	-124.4	152.6	177.9	55.4	0	0	0	0	112.4	S87	S87-S89 WeakPolarHBondContact CB-O 3.35Å; S87-S89 PolarHBondContact OG-N 2.98Å; S87-S89 VanDerWaalsContact OG-N 3.1Å; S87-S89 PolarHBondContact OG-O 3.22Å; S87-S89 PolarHBondContact OG-OG 3.33Å
90	D	89.1	Confident	88.8	Confident	61 Å²	61	93.9 Å²	93.9	33%	0.326	43%	0.429	S	S	.	.			trans	-74.3	144.6	176.7	60	-58.6	0	0	0	112.1	Y41 R92	Y41-D90 HydrophobicContact CD1-CB 4.16Å; Y41-D90 HydrophobicContact CE1-CB 3.88Å; Y41-D90 HydrophobicContact CE2-CB 4.37Å; D90-R92 PolarHBondContact O-N 3.17Å; D90-R92 IonicContact OD1-NE 3.63Å; D90-R92 WeakPolarHBondContact OD2-CG 3.44Å; D90-R92 IonicContact OD2-CZ 2.76Å; D90-R92 IonicContact OD2-NE 3.51Å; D90-R92 PolarHBondContact OD2-NE 3.21Å
91	H	89.7	Confident	88.8	Confident	73 Å²	73	93.5 Å²	93.5	34%	0.338	43%	0.427	S	S	.	.			trans	-94.3	67.8	-178.4	-166.4	-71.8	0	0	0	111.2	W45 V83 G93 A94 Q95	W45-H91 HydrophobicContact CH2-CB 4.14Å; W45-H91 HydrophobicContact CZ2-CB 4.14Å; V83-H91 HydrophobicContact CG1-CB 4.24Å; V83-H91 HydrophobicContact CG2-CB 4.46Å; H91-G93 VanDerWaalsContact C-N 3.25Å; H91-G93 PolarHBondContact O-N 3.42Å; H91-G93 VanDerWaalsContact O-N 3.09Å; H91-A94 WeakPolarHBondContact ND1-CB 3.46Å; H91-A94 PolarHBondContact ND1-N 2.7Å; H91-A94 PolarHBondContact O-N 3.13Å; H91-Q95 PolarHBondContact O-N 3.49Å
92	R	85.9	Confident	89	Confident	172 Å²	172	89.8 Å²	89.8	65%	0.649	43%	0.429	S	S	*	.	H	α-helix	trans	-45.3	-43.3	-177	-64.6	-173	-178.3	-175.2	2.3	114.5	D90 A94 Q95 V96	D90-R92 PolarHBondContact O-N 3.17Å; D90-R92 IonicContact OD1-NE 3.63Å; D90-R92 WeakPolarHBondContact OD2-CG 3.44Å; D90-R92 IonicContact OD2-CZ 2.76Å; D90-R92 IonicContact OD2-NE 3.51Å; D90-R92 PolarHBondContact OD2-NE 3.21Å; R92-A94 PolarHBondContact O-N 3.31Å; R92-A94 VanDerWaalsContact O-N 3.13Å; R92-Q95 PolarHBondContact O-N 2.95Å; R92-V96 WeakPolarHBondContact O-CB 3.46Å; R92-V96 WeakPolarHBondContact O-CG2 3.37Å; R92-V96 PolarHBondContact O-N 3.26Å
93	G	87.8	Confident	89.3	Confident	47 Å²	47	83.4 Å²	83.4	49%	0.485	41%	0.408	S	S	.	.	H	α-helix	trans	-66.8	-11.7	-179	0	0	0	0	0	115.2	H91 R97	H91-G93 VanDerWaalsContact C-N 3.25Å; H91-G93 PolarHBondContact O-N 3.42Å; H91-G93 VanDerWaalsContact O-N 3.09Å; G93-R97 WeakPolarHBondContact O-CG 3.29Å; G93-R97 PolarHBondContact O-NE 3.34Å
94	A	88.3	Confident	89.5	Confident	0 Å²	0	83.5 Å²	83.5	0%	0	41%	0.409	C	S	.	.	H	α-helix	trans	-99.5	-41.5	170.8	0	0	0	0	0	110.9	W45 F65 H91 R92 R97 L98	W45-A94 HydrophobicContact CH2-CB 3.98Å; W45-A94 HydrophobicContact CZ2-CB 3.73Å; F65-A94 HydrophobicContact CZ-CB 3.96Å; H91-A94 WeakPolarHBondContact ND1-CB 3.46Å; H91-A94 PolarHBondContact ND1-N 2.7Å; H91-A94 PolarHBondContact O-N 3.13Å; R92-A94 PolarHBondContact O-N 3.31Å; R92-A94 VanDerWaalsContact O-N 3.13Å; A94-R97 PolarHBondContact O-N 3.23Å; A94-L98 PolarHBondContact O-N 2.97Å
95	Q	90.7	Very high	89.7	Confident	30 Å²	30	83.2 Å²	83.2	14%	0.14	41%	0.407	C	S	.	.	H	α-helix	trans	-53	-56.4	172.9	-174.3	66.4	24.4	0	0	111.9	W45 H91 R92 R97 L98 E99 S107	W45-Q95 VanDerWaalsContact CD1-OE1 3.3Å; H91-Q95 PolarHBondContact O-N 3.49Å; R92-Q95 PolarHBondContact O-N 2.95Å; Q95-R97 PolarHBondContact O-N 2.68Å; Q95-R97 VanDerWaalsContact O-N 3.17Å; Q95-L98 PolarHBondContact O-N 3.4Å; Q95-E99 WeakPolarHBondContact CG-OE1 3.42Å; Q95-E99 PolarHBondContact NE2-OE1 3.17Å; Q95-E99 WeakPolarHBondContact O-CG 3.5Å; Q95-E99 PolarHBondContact O-N 3.24Å; Q95-S107 PolarHBondContact NE2-O 2.93Å; Q95-S107 PolarHBondContact NE2-OG 3.33Å
96	V	89.9	Confident	90.2	Very high	54 Å²	54	80.4 Å²	80.4	33%	0.327	39%	0.392	S	S	.	.	H	α-helix	trans	-63.8	-24.1	-179	174.2	0	0	0	0	112.9	R92 R100	R92-V96 WeakPolarHBondContact O-CB 3.46Å; R92-V96 WeakPolarHBondContact O-CG2 3.37Å; R92-V96 PolarHBondContact O-N 3.26Å; V96-R100 HydrophobicContact CG1-CG 4.32Å; V96-R100 WeakPolarHBondContact O-CB 3.44Å; V96-R100 WeakPolarHBondContact O-CG 3.49Å; V96-R100 PolarHBondContact O-N 3.06Å
97	R	90.8	Very high	90.5	Very high	96 Å²	96	71.8 Å²	71.8	36%	0.362	36%	0.361	S	S	.	.	H	α-helix	trans	-74.3	-36.2	175.1	-79.9	-172.2	-70.2	133.8	6	112.1	H63 H80 G93 A94 Q95	H63-R97 PolarHBondContact CE1-O 2.94Å; H63-R97 PolarHBondContact O-NH1 2.9Å; H80-R97 PolarHBondContact NE2-NH2 3.33Å; H80-R97 VanDerWaalsContact NE2-NH2 3.17Å; G93-R97 WeakPolarHBondContact O-CG 3.29Å; G93-R97 PolarHBondContact O-NE 3.34Å; A94-R97 PolarHBondContact O-N 3.23Å; Q95-R97 PolarHBondContact O-N 2.68Å; Q95-R97 VanDerWaalsContact O-N 3.17Å
98	L	91.9	Very high	90.8	Very high	0 Å²	0	75 Å²	75	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-70.8	-48.4	172.3	-68.3	174.7	0	0	0	111	W45 V47 H63 F65 F78 A94 Q95 R100 D101 V104	W45-L98 HydrophobicContact CB-CD1 4.3Å; W45-L98 HydrophobicContact CG-CD1 4.04Å; V47-L98 HydrophobicContact CG2-CD1 3.92Å; H63-L98 HydrophobicContact CB-CD2 4.31Å; F65-L98 HydrophobicContact CD2-CD2 4.09Å; F65-L98 HydrophobicContact CE1-CD1 3.95Å; F65-L98 HydrophobicContact CE2-CD1 3.94Å; F65-L98 HydrophobicContact CE2-CD2 3.69Å; F65-L98 HydrophobicContact CE2-CG 3.72Å; F65-L98 HydrophobicContact CZ-CD1 3.49Å; F65-L98 VanDerWaalsContact CZ-CD1 3.49Å; F65-L98 HydrophobicContact CZ-CD2 4.15Å; F65-L98 HydrophobicContact CZ-CG 3.74Å; F78-L98 HydrophobicContact CD2-CD2 4.1Å; F78-L98 HydrophobicContact CE2-CD2 4.15Å; A94-L98 PolarHBondContact O-N 2.97Å; Q95-L98 PolarHBondContact O-N 3.4Å; L98-R100 PolarHBondContact O-N 3.3Å; L98-R100 VanDerWaalsContact O-N 3.15Å; L98-D101 WeakPolarHBondContact O-CB 3.4Å; L98-D101 PolarHBondContact O-N 3.14Å; L98-V104 HydrophobicContact CB-CG1 4.46Å; L98-V104 WeakPolarHBondContact O-CB 3.5Å
99	E	90.4	Very high	91.2	Very high	105 Å²	105	69.3 Å²	69.3	49%	0.491	34%	0.343	S	S	.	.	H	α-helix	trans	-61.8	-22.1	-179.6	-68.1	169	166.6	0	0	114.5	Q95	Q95-E99 WeakPolarHBondContact CG-OE1 3.42Å; Q95-E99 PolarHBondContact NE2-OE1 3.17Å; Q95-E99 WeakPolarHBondContact O-CG 3.5Å; Q95-E99 PolarHBondContact O-N 3.24Å
100	R	91.5	Very high	91.5	Very high	203 Å²	203	68.8 Å²	68.8	77%	0.766	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-5	175.6	-75.3	178.6	179.2	-164.6	0.2	114	V96 L98	V96-R100 HydrophobicContact CG1-CG 4.32Å; V96-R100 WeakPolarHBondContact O-CB 3.44Å; V96-R100 WeakPolarHBondContact O-CG 3.49Å; V96-R100 PolarHBondContact O-N 3.06Å; L98-R100 PolarHBondContact O-N 3.3Å; L98-R100 VanDerWaalsContact O-N 3.15Å
101	D	93.1	Very high	91.7	Very high	6 Å²	6	67.6 Å²	67.6	3%	0.032	33%	0.327	C	S	.	.	S	Bend	trans	-82	120.5	175	-157.7	-60.7	0	0	0	109.7	K62 H63 L98 K103 V104	K62-D101 VanDerWaalsContact CE-OD2 3.32Å; K62-D101 WeakPolarHBondContact CE-OD2 3.35Å; K62-D101 IonicContact NZ-OD1 3.68Å; K62-D101 IonicContact NZ-OD2 2.72Å; K62-D101 PolarHBondContact NZ-OD2 3.06Å; H63-D101 IonicContact CD2-OD2 3.08Å; H63-D101 IonicContact CE1-OD2 3.91Å; H63-D101 IonicContact NE2-OD2 2.68Å; H63-D101 PolarHBondContact NE2-OD2 3.12Å; L98-D101 WeakPolarHBondContact O-CB 3.4Å; L98-D101 PolarHBondContact O-N 3.14Å; D101-K103 PolarHBondContact O-N 3.03Å; D101-K103 PolarHBondContact OD1-N 3.11Å; D101-V104 HydrophobicContact CB-CB 4.23Å; D101-V104 HydrophobicContact CB-CG2 3.94Å; D101-V104 PolarHBondContact O-N 3.27Å
102	P	91.6	Very high	91.5	Very high	122 Å²	122	66.9 Å²	66.9	79%	0.792	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-13.4	-174.3	26.9	-36.5	0	0	0	113.9
103	K	92.7	Very high	91.2	Very high	99 Å²	99	66.1 Å²	66.1	43%	0.43	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-9.2	175.4	-61.7	-172.2	-176.8	-177.6	0	113.5	E55 I59 D101	E55-K103 HydrophobicContact CG-CD 3.93Å; E55-K103 WeakPolarHBondContact OE1-CD 3.22Å; E55-K103 WeakPolarHBondContact OE1-CE 3.44Å; E55-K103 IonicContact OE1-NZ 3.29Å; E55-K103 PolarHBondContact OE1-NZ 2.87Å; E55-K103 IonicContact OE2-NZ 3.02Å; E55-K103 PolarHBondContact OE2-NZ 3.13Å; I59-K103 HydrophobicContact CD1-CB 3.61Å; I59-K103 HydrophobicContact CD1-CD 4.31Å; D101-K103 PolarHBondContact O-N 3.03Å; D101-K103 PolarHBondContact OD1-N 3.11Å
104	V	93.7	Very high	90.3	Very high	11 Å²	11	72.8 Å²	72.8	7%	0.067	35%	0.35	C	S	.	.			trans	-95.3	110.1	172.7	174	0	0	0	0	108.2	V47 I49 I59 L98 D101 W106	V47-V104 HydrophobicContact CG1-CB 4.39Å; V47-V104 HydrophobicContact CG1-CG1 3.59Å; V47-V104 HydrophobicContact CG1-CG2 3.92Å; I49-V104 HydrophobicContact CD1-CG2 4.35Å; I49-V104 HydrophobicContact CG1-CG2 4.17Å; I59-V104 HydrophobicContact CD1-CG2 4.43Å; I59-V104 HydrophobicContact CG2-CG2 3.76Å; L98-V104 HydrophobicContact CB-CG1 4.46Å; L98-V104 WeakPolarHBondContact O-CB 3.5Å; D101-V104 HydrophobicContact CB-CB 4.23Å; D101-V104 HydrophobicContact CB-CG2 3.94Å; D101-V104 PolarHBondContact O-N 3.27Å; V104-W106 WeakPolarHBondContact CG1-O 3.4Å
105	T	93.1	Very high	89.1	Confident	90 Å²	90	82.6 Å²	82.6	55%	0.552	39%	0.387	S	S	*	.			trans	-87.3	-21.7	-178.9	52.6	0	0	0	0	112.7	H48 P50	H48-T105 PolarHBondContact ND1-OG1 3.26Å; H48-T105 PolarHBondContact O-N 3.06Å; H48-T105 PolarHBondContact O-OG1 3.16Å; H48-T105 VanDerWaalsContact O-OG1 3.11Å; P50-T105 HydrophobicContact CG-CG2 4.04Å
106	W	95.1	Very high	87.3	Confident	102 Å²	102	90.3 Å²	90.3	39%	0.386	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	148	175.1	174.7	88.6	0	0	0	110.4	A46 V47 H48 Y75 V104 E108	A46-W106 HydrophobicContact CB-CH2 3.95Å; A46-W106 HydrophobicContact CB-CZ3 3.67Å; V47-W106 WeakPolarHBondContact CA-O 3.2Å; H48-W106 HydrophobicContact CB-CB 4.02Å; H48-W106 HydrophobicContact CB-CE3 4.31Å; H48-W106 PolarHBondContact N-O 2.98Å; Y75-W106 HydrophobicContact CD1-CE3 4.11Å; Y75-W106 AromaticContact CD1-CZ3 3.98Å; Y75-W106 HydrophobicContact CD1-CZ3 3.98Å; Y75-W106 AromaticContact CE1-CE3 3.74Å; Y75-W106 HydrophobicContact CE1-CE3 3.74Å; Y75-W106 AromaticContact CE1-CZ3 3.87Å; Y75-W106 HydrophobicContact CE1-CZ3 3.87Å; V104-W106 WeakPolarHBondContact CG1-O 3.4Å; W106-E108 HydrophobicContact CH2-CB 3.57Å; W106-E108 HydrophobicContact CZ2-CB 3.36Å; W106-E108 HydrophobicContact CZ2-CG 4.37Å; W106-E108 WeakPolarHBondContact CZ2-OE2 3.45Å; W106-E108 HydrophobicContact CZ3-CB 4.43Å
107	S	94.3	Very high	85	Confident	7 Å²	7	95 Å²	95	5%	0.049	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	149.2	166.4	72.3	0	0	0	0	111.5	A46 Q95	A46-S107 CarbonylContact O-C 3.46Å; A46-S107 VanDerWaalsContact O-CA 3.25Å; A46-S107 WeakPolarHBondContact O-CA 3.34Å; Q95-S107 PolarHBondContact NE2-O 2.93Å; Q95-S107 PolarHBondContact NE2-OG 3.33Å
108	E	93.9	Very high	82.9	Confident	96 Å²	96	102 Å²	102	45%	0.449	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	127.9	173.7	-174.5	-172.7	-179.3	0	0	111.1	W45 A46 W106 Q110	W45-E108 VanDerWaalsContact CA-O 3.31Å; W45-E108 WeakPolarHBondContact CA-O 3.48Å; A46-E108 PolarHBondContact N-O 2.83Å; A46-E108 PolarHBondContact O-N 3.23Å; W106-E108 HydrophobicContact CH2-CB 3.57Å; W106-E108 HydrophobicContact CZ2-CB 3.36Å; W106-E108 HydrophobicContact CZ2-CG 4.37Å; W106-E108 WeakPolarHBondContact CZ2-OE2 3.45Å; W106-E108 HydrophobicContact CZ3-CB 4.43Å; E108-Q110 PolarHBondContact O-N 3.29Å; E108-Q110 PolarHBondContact O-NE2 2.8Å
109	Q	94.8	Very high	80.5	Confident	9 Å²	9	107.6 Å²	107.6	4%	0.042	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	122.1	169.3	-170	177.6	5.5	0	0	110.6	Y41 T42 W45 V111	Y41-Q109 HydrophobicContact CD1-CG 4.46Å; T42-Q109 PolarHBondContact O-NE2 2.92Å; W45-Q109 HydrophobicContact CD2-CB 4.28Å; W45-Q109 HydrophobicContact CD2-CG 4.15Å; W45-Q109 HydrophobicContact CG-CB 4.49Å; W45-Q109 HydrophobicContact CH2-CG 4.03Å; W45-Q109 HydrophobicContact CZ2-CB 3.95Å; W45-Q109 HydrophobicContact CZ2-CG 3.58Å; Q109-V111 PolarHBondContact O-N 2.78Å
110	Q	94.4	Very high	78.1	Confident	61 Å²	61	107.6 Å²	107.6	29%	0.285	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	129.4	-172.3	-62.4	-57.8	-69.9	0	0	111.7	T42 T44 E108	T42-Q110 WeakPolarHBondContact CB-O 3.32Å; T42-Q110 WeakPolarHBondContact CG2-O 3.46Å; T42-Q110 PolarHBondContact N-O 3.31Å; T42-Q110 PolarHBondContact OG1-O 3.15Å; T44-Q110 PolarHBondContact O-N 2.99Å; E108-Q110 PolarHBondContact O-N 3.29Å; E108-Q110 PolarHBondContact O-NE2 2.8Å
111	V	92	Very high	76.1	Confident	36 Å²	36	102.3 Å²	102.3	22%	0.218	49%	0.49	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	134.8	174.8	-179.2	0	0	0	0	109.7	K39 Y41 Q109 K113	K39-V111 HydrophobicContact CB-CG1 3.87Å; K39-V111 HydrophobicContact CG-CG1 4.3Å; Y41-V111 HydrophobicContact CD1-CG2 3.64Å; Y41-V111 HydrophobicContact CE1-CG2 3.67Å; Y41-V111 HydrophobicContact CG-CG2 4.39Å; Q109-V111 PolarHBondContact O-N 2.78Å; V111-K113 PolarHBondContact O-N 3.16Å
112	S	86.1	Confident	74.2	Confident	59 Å²	59	107.4 Å²	107.4	41%	0.413	52%	0.521	S	S	.	.			trans	-64.1	99.9	175	177	0	0	0	0	110.7	V40 Q114	V40-S112 WeakPolarHBondContact O-CB 3.47Å; V40-S112 PolarHBondContact O-N 2.85Å; S112-Q114 PolarHBondContact O-N 3.1Å
113	K	80.1	Confident	73.4	Confident	155 Å²	155	106 Å²	106	67%	0.674	50%	0.504	S	S	*	.			trans	-77.3	116.1	174.1	-64.3	-178.1	-178.3	177.4	0	109.7	V111 R115	V111-K113 PolarHBondContact O-N 3.16Å; K113-R115 PolarHBondContact O-N 3.25Å
114	Q	67.3	Low	73.1	Confident	187 Å²	187	102.6 Å²	102.6	87%	0.874	49%	0.49	S	S	*	.			trans	-70.5	117.7	171.2	-164.9	175.7	16.9	0	0	108.8	S112	S112-Q114 PolarHBondContact O-N 3.1Å
115	R	64.1	Low	73	Confident	206 Å²	206	106.5 Å²	106.5	78%	0.777	51%	0.513	S	S	*	.			trans	-125.3	124.7	177.9	-68.1	177.4	173.2	167.7	-4.2	108.3	K113	K113-R115 PolarHBondContact O-N 3.25Å
116	K	52.2	Low	73.2	Confident	193 Å²	193	102.5 Å²	102.5	84%	0.839	49%	0.488	S	S	*	.			trans	-87.3	145	164.5	-67.4	-174.7	177.2	-175.9	0	108.5
117	K	42.1	Very low	73.3	Confident	153 Å²	153	101.7 Å²	101.7	67%	0.665	50%	0.496	S	S	*	.			trans	-65.3	139	169.4	-163.1	-172.8	-179.6	-160.3	0	107.9	D119	K117-D119 VanDerWaalsContact C-N 3.3Å
118	R	47.2	Very low	73.4	Confident	242 Å²	242	104.1 Å²	104.1	91%	0.913	51%	0.506	S	S	*	.	S	Bend	trans	-82.8	-8.6	178.5	-76.5	-172.3	-117.2	-163.3	1	113.3
119	D	41.4	Very low	73.5	Confident	118 Å²	118	100 Å²	100	63%	0.631	49%	0.487	S	S	*	.			trans	-111.1	56.2	-169.8	-31.4	-60.3	0	0	0	111.8	K117	K117-D119 VanDerWaalsContact C-N 3.3Å
120	T	39.5	Very low	73.4	Confident	105 Å²	105	108.7 Å²	108.7	64%	0.644	52%	0.519	S	S	*	.			trans	-147.9	106.3	161.8	18.5	0	0	0	0	106.6	T122	T120-T122 PolarHBondContact O-N 3.1Å; T120-T122 VanDerWaalsContact O-N 3.13Å
121	V	49.1	Very low	73.4	Confident	91 Å²	91	108.7 Å²	108.7	55%	0.552	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-51.2	117.3	149.5	175.6	0	0	0	0	104.8	E123	V121-E123 PolarHBondContact O-N 3.24Å; V121-E123 VanDerWaalsContact O-N 3.11Å
122	T	53.6	Low	73.7	Confident	113 Å²	113	107.1 Å²	107.1	69%	0.693	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-54.8	120.9	170.3	-15.4	0	0	0	0	105.9	T120 F124	T120-T122 PolarHBondContact O-N 3.1Å; T120-T122 VanDerWaalsContact O-N 3.13Å; T122-F124 PolarHBondContact O-N 2.93Å
123	E	73.8	Confident	74.2	Confident	94 Å²	94	104.8 Å²	104.8	44%	0.439	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-54.1	136.6	169.6	-67	-171.4	156.3	0	0	107.6	V121 V125 R130	V121-E123 PolarHBondContact O-N 3.24Å; V121-E123 VanDerWaalsContact O-N 3.11Å; E123-V125 PolarHBondContact O-N 2.89Å; E123-R130 IonicContact OE2-CZ 3.65Å; E123-R130 IonicContact OE2-NE 3.87Å; E123-R130 PolarHBondContact OE2-NE 2.97Å; E123-R130 IonicContact OE2-NH2 2.69Å; E123-R130 PolarHBondContact OE2-NH2 3.32Å
124	F	87.6	Confident	75	Confident	27 Å²	27	97.5 Å²	97.5	12%	0.118	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-49.4	131.4	178.3	-67.6	-84.4	0	0	0	109.2	T122 D126 F129 W149 A217 N218 I224 Y228	T122-F124 PolarHBondContact O-N 2.93Å; F124-D126 PolarHBondContact O-N 3.35Å; F124-F129 HydrophobicContact CB-CB 4.15Å; F124-F129 HydrophobicContact CB-CD1 3.79Å; F124-F129 HydrophobicContact CB-CD2 4.46Å; F124-F129 HydrophobicContact CB-CE1 4.39Å; F124-F129 HydrophobicContact CB-CG 3.84Å; F124-F129 AromaticContact CD2-CD1 3.93Å; F124-F129 HydrophobicContact CD2-CD1 3.93Å; F124-F129 HydrophobicContact CD2-CD2 4.13Å; F124-F129 AromaticContact CD2-CE1 3.68Å; F124-F129 HydrophobicContact CD2-CE1 3.68Å; F124-F129 AromaticContact CD2-CE2 3.88Å; F124-F129 HydrophobicContact CD2-CE2 3.88Å; F124-F129 HydrophobicContact CD2-CG 4.16Å; F124-F129 AromaticContact CD2-CZ 3.65Å; F124-F129 HydrophobicContact CD2-CZ 3.65Å; F124-F129 HydrophobicContact CE2-CE2 4.32Å; F124-F129 HydrophobicContact CE2-CZ 4.15Å; F124-F129 HydrophobicContact CG-CD1 4.33Å; F124-F129 HydrophobicContact CG-CG 4.36Å; F124-W149 HydrophobicContact CD2-CZ3 4.47Å; F124-W149 AromaticContact CE2-CE3 3.57Å; F124-W149 HydrophobicContact CE2-CE3 3.57Å; F124-W149 AromaticContact CE2-CZ3 3.59Å; F124-W149 HydrophobicContact CE2-CZ3 3.59Å; F124-W149 HydrophobicContact CZ-CD2 4.35Å; F124-W149 AromaticContact CZ-CE3 3.78Å; F124-W149 HydrophobicContact CZ-CE3 3.78Å; F124-W149 HydrophobicContact CZ-CZ3 4.09Å; F124-A217 HydrophobicContact CD1-CB 3.81Å; F124-A217 HydrophobicContact CE1-CB 3.71Å; F124-N218 WeakPolarHBondContact CD1-ND2 3.48Å; F124-I224 HydrophobicContact CB-CG2 4.45Å; F124-I224 HydrophobicContact CD1-CD1 3.84Å; F124-I224 HydrophobicContact CD1-CG2 4.19Å; F124-I224 HydrophobicContact CD2-CD1 3.62Å; F124-I224 HydrophobicContact CE1-CD1 3.84Å; F124-I224 HydrophobicContact CE2-CD1 3.61Å; F124-I224 HydrophobicContact CG-CD1 3.74Å; F124-I224 HydrophobicContact CG-CG2 4.4Å; F124-I224 HydrophobicContact CZ-CD1 3.72Å; F124-Y228 HydrophobicContact CE1-CD1 4.46Å; F124-Y228 AromaticContact CE1-CE1 3.87Å; F124-Y228 HydrophobicContact CE1-CE1 3.87Å; F124-Y228 AromaticContact CE1-CZ 3.9Å; F124-Y228 AromaticContact CZ-CE1 3.69Å; F124-Y228 HydrophobicContact CZ-CE1 3.69Å; F124-Y228 AromaticContact CZ-CZ 3.95Å
125	V	92.2	Very high	76.4	Confident	93 Å²	93	88.6 Å²	88.6	56%	0.564	42%	0.42	S	S	*	.			trans	-76.4	-2.8	-174.2	-64.9	0	0	0	0	112.9	E123 N218	E123-V125 PolarHBondContact O-N 2.89Å; V125-N218 HydrophobicContact CG2-CB 3.95Å
126	D	96.7	Very high	77.7	Confident	5 Å²	5	83.3 Å²	83.3	3%	0.027	40%	0.401	C	S	.	.			trans	-76	127.5	-172.1	-46.1	-60.8	0	0	0	110.4	F124 K128 F129 N218 N219 G220 I224	F124-D126 PolarHBondContact O-N 3.35Å; D126-K128 VanDerWaalsContact C-N 3.27Å; D126-K128 PolarHBondContact O-N 2.99Å; D126-K128 VanDerWaalsContact O-N 3.1Å; D126-F129 PolarHBondContact O-N 2.78Å; D126-F129 VanDerWaalsContact O-N 3.1Å; D126-N218 VanDerWaalsContact CG-N 3.28Å; D126-N218 WeakPolarHBondContact OD1-CA 3.18Å; D126-N218 PolarHBondContact OD1-N 2.85Å; D126-N218 VanDerWaalsContact OD1-N 3.09Å; D126-N218 WeakPolarHBondContact OD2-CA 3.49Å; D126-N218 PolarHBondContact OD2-N 2.88Å; D126-N219 PolarHBondContact OD1-N 3.35Å; D126-N219 PolarHBondContact OD1-OD1 3.5Å; D126-G220 PolarHBondContact OD1-N 2.96Å; D126-I224 HydrophobicContact CB-CG2 4.09Å; D126-I224 WeakPolarHBondContact OD2-CG2 3.3Å
127	P	96.3	Very high	79.4	Confident	86 Å²	86	75.6 Å²	75.6	56%	0.558	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-26.5	-158.1	22.1	-33.9	0	0	0	114.8	G220 C222	P127-G220 WeakPolarHBondContact CD-O 3.43Å; P127-C222 VanDerWaalsContact CD-O 3.31Å; P127-C222 WeakPolarHBondContact CD-O 3.44Å; P127-C222 WeakPolarHBondContact CG-O 3.44Å
128	K	97	Very high	81.4	Confident	57 Å²	57	72.5 Å²	72.5	25%	0.248	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-0.4	-180	-66	-75.5	-164	157.4	0	114.2	D126 R130 D131 Q132 C222 I363 D373	D126-K128 VanDerWaalsContact C-N 3.27Å; D126-K128 PolarHBondContact O-N 2.99Å; D126-K128 VanDerWaalsContact O-N 3.1Å; K128-R130 PolarHBondContact O-N 3.01Å; K128-R130 VanDerWaalsContact O-N 3.16Å; K128-D131 HydrophobicContact CD-CB 4.45Å; K128-D131 WeakPolarHBondContact CD-OD2 3.42Å; K128-D131 WeakPolarHBondContact O-CA 3.47Å; K128-D131 WeakPolarHBondContact O-CB 3.39Å; K128-D131 PolarHBondContact O-N 3.39Å; K128-Q132 PolarHBondContact O-N 3.07Å; K128-Q132 VanDerWaalsContact O-N 3.17Å; K128-C222 WeakPolarHBondContact CA-O 3.31Å; K128-C222 WeakPolarHBondContact CB-O 3.47Å; K128-C222 PolarHBondContact N-O 3.39Å; K128-I363 HydrophobicContact CB-CG2 3.93Å; K128-I363 HydrophobicContact CD-CG2 4.43Å; K128-I363 HydrophobicContact CG-CG2 4.27Å; K128-D373 IonicContact NZ-OD2 2.72Å; K128-D373 PolarHBondContact NZ-OD2 2.87Å
129	F	95.8	Very high	83.1	Confident	10 Å²	10	66.6 Å²	66.6	4%	0.044	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-37.5	179	170.8	-110.6	0	0	0	112.6	F124 D126 D131 Q132 L135 W149 I224	F124-F129 HydrophobicContact CB-CB 4.15Å; F124-F129 HydrophobicContact CB-CD1 3.79Å; F124-F129 HydrophobicContact CB-CD2 4.46Å; F124-F129 HydrophobicContact CB-CE1 4.39Å; F124-F129 HydrophobicContact CB-CG 3.84Å; F124-F129 AromaticContact CD2-CD1 3.93Å; F124-F129 HydrophobicContact CD2-CD1 3.93Å; F124-F129 HydrophobicContact CD2-CD2 4.13Å; F124-F129 AromaticContact CD2-CE1 3.68Å; F124-F129 HydrophobicContact CD2-CE1 3.68Å; F124-F129 AromaticContact CD2-CE2 3.88Å; F124-F129 HydrophobicContact CD2-CE2 3.88Å; F124-F129 HydrophobicContact CD2-CG 4.16Å; F124-F129 AromaticContact CD2-CZ 3.65Å; F124-F129 HydrophobicContact CD2-CZ 3.65Å; F124-F129 HydrophobicContact CE2-CE2 4.32Å; F124-F129 HydrophobicContact CE2-CZ 4.15Å; F124-F129 HydrophobicContact CG-CD1 4.33Å; F124-F129 HydrophobicContact CG-CG 4.36Å; D126-F129 PolarHBondContact O-N 2.78Å; D126-F129 VanDerWaalsContact O-N 3.1Å; F129-D131 PolarHBondContact O-N 3.1Å; F129-Q132 PolarHBondContact O-N 3.03Å; F129-L135 HydrophobicContact CE2-CB 4.44Å; F129-W149 HydrophobicContact CE2-CH2 4.11Å; F129-W149 AromaticContact CE2-CZ3 3.88Å; F129-W149 HydrophobicContact CE2-CZ3 3.88Å; F129-W149 HydrophobicContact CZ-CZ3 4.18Å; F129-I224 HydrophobicContact CD2-CD1 3.48Å; F129-I224 VanDerWaalsContact CD2-CD1 3.48Å; F129-I224 HydrophobicContact CD2-CG1 3.8Å; F129-I224 HydrophobicContact CE2-CD1 3.6Å; F129-I224 HydrophobicContact CE2-CG1 4.24Å; F129-I224 HydrophobicContact CG-CD1 4.38Å
130	R	92.7	Very high	85.1	Confident	191 Å²	191	67.9 Å²	67.9	72%	0.721	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-21	176.1	-70.7	-179.1	171.6	171.9	-1.8	114.1	E123 K128	E123-R130 IonicContact OE2-CZ 3.65Å; E123-R130 IonicContact OE2-NE 3.87Å; E123-R130 PolarHBondContact OE2-NE 2.97Å; E123-R130 IonicContact OE2-NH2 2.69Å; E123-R130 PolarHBondContact OE2-NH2 3.32Å; K128-R130 PolarHBondContact O-N 3.01Å; K128-R130 VanDerWaalsContact O-N 3.16Å
131	D	95.3	Very high	87.6	Confident	62 Å²	62	67.1 Å²	67.1	33%	0.332	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-20.4	176.9	-66	-40.9	0	0	0	112.4	K128 F129 W133 K360 I363	K128-D131 HydrophobicContact CD-CB 4.45Å; K128-D131 WeakPolarHBondContact CD-OD2 3.42Å; K128-D131 WeakPolarHBondContact O-CA 3.47Å; K128-D131 WeakPolarHBondContact O-CB 3.39Å; K128-D131 PolarHBondContact O-N 3.39Å; F129-D131 PolarHBondContact O-N 3.1Å; D131-W133 PolarHBondContact O-N 3.44Å; D131-K360 IonicContact OD1-NZ 2.63Å; D131-I363 HydrophobicContact CB-CD1 3.28Å; D131-I363 WeakPolarHBondContact O-CD1 3.31Å
132	Q	97.3	Very high	89.8	Confident	3 Å²	3	63.4 Å²	63.4	1%	0.014	32%	0.317	C	S	.	.			trans	-69.9	63.4	173.4	-68.8	-178.7	-59.4	0	0	112.1	K128 F129 Y134 L135 I224 I363	K128-Q132 PolarHBondContact O-N 3.07Å; K128-Q132 VanDerWaalsContact O-N 3.17Å; F129-Q132 PolarHBondContact O-N 3.03Å; Q132-Y134 HydrophobicContact CB-CE1 4.19Å; Q132-Y134 HydrophobicContact CG-CE1 4.38Å; Q132-Y134 PolarHBondContact NE2-OH 3.44Å; Q132-Y134 PolarHBondContact O-N 3.48Å; Q132-L135 HydrophobicContact CB-CB 4.49Å; Q132-L135 HydrophobicContact CB-CD1 3.88Å; Q132-L135 HydrophobicContact CB-CG 4.12Å; Q132-L135 HydrophobicContact CG-CD1 4.35Å; Q132-L135 PolarHBondContact O-N 3.12Å; Q132-I224 PolarHBondContact NE2-O 2.9Å; Q132-I224 PolarHBondContact OE1-O 3.34Å; Q132-I363 HydrophobicContact CG-CB 3.99Å; Q132-I363 HydrophobicContact CG-CG2 4.44Å; Q132-I363 PolarHBondContact NE2-O 3.39Å; Q132-I363 VanDerWaalsContact NE2-O 3.09Å
133	W	96	Very high	91.9	Very high	10 Å²	10	58 Å²	58	4%	0.038	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-24.5	-175	62.2	-86.1	0	0	0	114.8	D131 Q333 Y352 K360 Q361	D131-W133 PolarHBondContact O-N 3.44Å; W133-Q333 HydrophobicContact CD2-CG 4.14Å; W133-Q333 HydrophobicContact CE3-CB 4.38Å; W133-Q333 HydrophobicContact CE3-CG 3.81Å; W133-Q333 HydrophobicContact CH2-CB 3.62Å; W133-Q333 HydrophobicContact CH2-CG 3.99Å; W133-Q333 HydrophobicContact CZ2-CB 4Å; W133-Q333 HydrophobicContact CZ2-CG 4.34Å; W133-Q333 HydrophobicContact CZ3-CB 3.85Å; W133-Q333 HydrophobicContact CZ3-CG 3.73Å; W133-Y352 AromaticContact CH2-CD1 3.39Å; W133-Y352 HydrophobicContact CH2-CD1 3.39Å; W133-Y352 HydrophobicContact CH2-CE1 4.26Å; W133-Y352 AromaticContact CH2-CG 3.57Å; W133-Y352 HydrophobicContact CH2-CG 3.57Å; W133-Y352 AromaticContact CZ3-CD1 3.3Å; W133-Y352 HydrophobicContact CZ3-CD1 3.3Å; W133-Y352 HydrophobicContact CZ3-CD2 4.08Å; W133-Y352 AromaticContact CZ3-CE1 3.78Å; W133-Y352 HydrophobicContact CZ3-CE1 3.78Å; W133-Y352 HydrophobicContact CZ3-CE2 4.48Å; W133-Y352 AromaticContact CZ3-CG 3.48Å; W133-Y352 HydrophobicContact CZ3-CG 3.48Å; W133-Y352 VanDerWaalsContact CZ3-CG 3.48Å; W133-K360 HydrophobicContact CB-CD 4.1Å; W133-K360 VanDerWaalsContact CD1-CB 3.48Å; W133-K360 VanDerWaalsContact CD1-CD 3.48Å; W133-K360 HydrophobicContact CD2-CB 4.37Å; W133-K360 HydrophobicContact CG-CB 4.15Å; W133-K360 HydrophobicContact CG-CD 3.83Å; W133-K360 HydrophobicContact CZ2-CB 4.5Å; W133-Q361 PolarHBondContact NE1-O 3.49Å
134	Y	97.3	Very high	93	Very high	1 Å²	1	55.2 Å²	55.2	0%	0.004	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-16.7	178.4	52.9	-89.5	0	0	0	113.1	Q132 D142 L143 I362 I363 L384	Q132-Y134 HydrophobicContact CB-CE1 4.19Å; Q132-Y134 HydrophobicContact CG-CE1 4.38Å; Q132-Y134 PolarHBondContact NE2-OH 3.44Å; Q132-Y134 PolarHBondContact O-N 3.48Å; Y134-D142 CarbonylContact O-C 3.53Å; Y134-D142 WeakPolarHBondContact O-CB 3.19Å; Y134-L143 HydrophobicContact CD2-CD1 4.47Å; Y134-L143 WeakPolarHBondContact O-CB 3.26Å; Y134-L143 WeakPolarHBondContact O-CG 3.4Å; Y134-L143 PolarHBondContact O-N 3.08Å; Y134-I362 HydrophobicContact CD1-CD1 3.51Å; Y134-I362 HydrophobicContact CD2-CD1 4.41Å; Y134-I362 HydrophobicContact CE1-CD1 3.58Å; Y134-I362 HydrophobicContact CE1-CG2 4.48Å; Y134-I362 HydrophobicContact CE2-CD1 4.45Å; Y134-I362 HydrophobicContact CG-CD1 3.96Å; Y134-I363 PolarHBondContact OH-N 3.02Å; Y134-I363 PolarHBondContact OH-O 3.12Å; Y134-L384 HydrophobicContact CD2-CD1 3.97Å; Y134-L384 HydrophobicContact CD2-CD2 3.77Å; Y134-L384 HydrophobicContact CE2-CD1 4.25Å; Y134-L384 HydrophobicContact CE2-CD2 3.49Å; Y134-L384 VanDerWaalsContact CE2-CD2 3.49Å
135	L	96.4	Very high	93.4	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-36.6	174.6	-59.7	-178.5	0	0	0	112.3	F129 Q132 A145 W149 I224 V226	F129-L135 HydrophobicContact CE2-CB 4.44Å; Q132-L135 HydrophobicContact CB-CB 4.49Å; Q132-L135 HydrophobicContact CB-CD1 3.88Å; Q132-L135 HydrophobicContact CB-CG 4.12Å; Q132-L135 HydrophobicContact CG-CD1 4.35Å; Q132-L135 PolarHBondContact O-N 3.12Å; L135-A145 HydrophobicContact CD2-CB 4.34Å; L135-W149 HydrophobicContact CB-CH2 4.01Å; L135-W149 HydrophobicContact CD1-CH2 4.09Å; L135-W149 HydrophobicContact CG-CH2 4.46Å; L135-I224 HydrophobicContact CD1-CG1 3.89Å; L135-V226 HydrophobicContact CD2-CG2 3.56Å
136	Y	91.7	Very high	93.6	Very high	95 Å²	95	51.4 Å²	51.4	37%	0.373	25%	0.248	S	C	.	.			trans	-156	129.2	178.6	173.2	-114.5	0	0	0	112.4	K146	Y136-K146 HydrophobicContact CD1-CD 4.16Å; Y136-K146 HydrophobicContact CD2-CB 4.14Å; Y136-K146 HydrophobicContact CD2-CD 3.26Å; Y136-K146 HydrophobicContact CD2-CG 4.35Å; Y136-K146 HydrophobicContact CE1-CD 4.39Å; Y136-K146 VanDerWaalsContact CE1-NZ 3.28Å; Y136-K146 HydrophobicContact CE2-CD 3.52Å; Y136-K146 HydrophobicContact CG-CB 4.5Å; Y136-K146 HydrophobicContact CG-CD 3.6Å; Y136-K146 PolarHBondContact OH-NZ 3.46Å
137	N	88.2	Confident	93.5	Very high	31 Å²	31	52.2 Å²	52.2	17%	0.166	26%	0.255	C	S	.	.			trans	-144.4	132.7	179.1	-172.5	-20.5	0	0	0	109.5	N139 H140 R141 D142	N137-N139 PolarHBondContact O-N 3.46Å; N137-N139 PolarHBondContact OD1-N 2.64Å; N137-N139 VanDerWaalsContact OD1-N 3.12Å; N137-H140 PolarHBondContact O-N 2.98Å; N137-R141 WeakPolarHBondContact CB-O 3.49Å; N137-R141 PolarHBondContact ND2-O 2.94Å; N137-R141 VanDerWaalsContact ND2-O 3.16Å; N137-D142 HydrophobicContact CB-CB 4.04Å; N137-D142 PolarHBondContact N-OD2 3.43Å; N137-D142 VanDerWaalsContact O-OD2 3.13Å
138	S	83.5	Confident	93.5	Very high	88 Å²	88	48.1 Å²	48.1	62%	0.615	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-20.5	178.7	57.3	0	0	0	0	113.7	H140	S138-H140 VanDerWaalsContact C-N 3.35Å
139	N	84.4	Confident	93.5	Very high	118 Å²	118	46.4 Å²	46.4	63%	0.631	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.7	9.9	-178.2	-59.7	-4.9	0	0	0	112.8	N137 R141	N137-N139 PolarHBondContact O-N 3.46Å; N137-N139 PolarHBondContact OD1-N 2.64Å; N137-N139 VanDerWaalsContact OD1-N 3.12Å; N139-R141 PolarHBondContact O-N 2.84Å; N139-R141 VanDerWaalsContact O-N 3.14Å
140	H	83	Confident	93.5	Very high	144 Å²	144	51.8 Å²	51.8	67%	0.667	25%	0.246	S	C	*	.	S	Bend	trans	54.6	28.8	-178.5	-58.6	-67.7	0	0	0	114.5	N137 S138	N137-H140 PolarHBondContact O-N 2.98Å; S138-H140 VanDerWaalsContact C-N 3.35Å
141	R	91.9	Very high	93.6	Very high	89 Å²	89	46.4 Å²	46.4	34%	0.336	23%	0.231	S	C	.	.			trans	-101.7	71.5	166	-66.1	-172	-177.4	-161.7	-1.5	108.6	N137 N139 N334	N137-R141 WeakPolarHBondContact CB-O 3.49Å; N137-R141 PolarHBondContact ND2-O 2.94Å; N137-R141 VanDerWaalsContact ND2-O 3.16Å; N139-R141 PolarHBondContact O-N 2.84Å; N139-R141 VanDerWaalsContact O-N 3.14Å; R141-N334 PolarHBondContact NH1-O 3.11Å
142	D	95.7	Very high	93.7	Very high	13 Å²	13	45.8 Å²	45.8	7%	0.07	24%	0.239	C	C	.	.	S	Bend	trans	-151.8	177	-179.6	58.3	48.6	0	0	0	109.1	Y134 N137 N144	Y134-D142 CarbonylContact O-C 3.53Å; Y134-D142 WeakPolarHBondContact O-CB 3.19Å; N137-D142 HydrophobicContact CB-CB 4.04Å; N137-D142 PolarHBondContact N-OD2 3.43Å; N137-D142 VanDerWaalsContact O-OD2 3.13Å; D142-N144 PolarHBondContact O-N 3.33Å; D142-N144 VanDerWaalsContact OD1-CA 3.22Å; D142-N144 WeakPolarHBondContact OD1-CA 3.35Å; D142-N144 PolarHBondContact OD1-N 3.41Å
143	L	97.6	Very high	93.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.246	C	C	.	.			trans	-83.9	8.8	177.8	-62	168.9	0	0	0	112.9	Y134 A145 T351 Y352 L384 I388 L439 A442	Y134-L143 HydrophobicContact CD2-CD1 4.47Å; Y134-L143 WeakPolarHBondContact O-CB 3.26Å; Y134-L143 WeakPolarHBondContact O-CG 3.4Å; Y134-L143 PolarHBondContact O-N 3.08Å; L143-A145 PolarHBondContact O-N 3.48Å; L143-A145 VanDerWaalsContact O-N 3.13Å; L143-T351 HydrophobicContact CD2-CG2 4.07Å; L143-Y352 HydrophobicContact CD2-CD2 3.97Å; L143-Y352 HydrophobicContact CD2-CE2 4.38Å; L143-Y352 HydrophobicContact CG-CD2 4Å; L143-L384 HydrophobicContact CD1-CB 4.03Å; L143-L384 HydrophobicContact CD1-CD1 4.16Å; L143-L384 HydrophobicContact CD1-CD2 4.5Å; L143-L384 HydrophobicContact CD1-CG 4.47Å; L143-I388 HydrophobicContact CB-CD1 4.02Å; L143-I388 HydrophobicContact CD1-CD1 4.19Å; L143-I388 HydrophobicContact CD2-CD1 4.22Å; L143-I388 HydrophobicContact CG-CD1 4.35Å; L143-L439 HydrophobicContact CD2-CD1 3.94Å; L143-L439 HydrophobicContact CD2-CG 4.14Å; L143-A442 VanDerWaalsContact O-CB 3.27Å; L143-A442 WeakPolarHBondContact O-CB 3.48Å; L143-A442 PolarHBondContact O-N 2.66Å
144	N	96.7	Very high	93.8	Very high	35 Å²	35	47.7 Å²	47.7	19%	0.187	25%	0.248	C	C	.	.			trans	56.8	23	-177.3	-156.8	17.4	0	0	0	114.8	D142 K146 A147 A148 D441 S443	D142-N144 PolarHBondContact O-N 3.33Å; D142-N144 VanDerWaalsContact OD1-CA 3.22Å; D142-N144 WeakPolarHBondContact OD1-CA 3.35Å; D142-N144 PolarHBondContact OD1-N 3.41Å; N144-K146 VanDerWaalsContact C-N 3.27Å; N144-K146 PolarHBondContact O-N 3.44Å; N144-A147 PolarHBondContact O-N 2.8Å; N144-A147 VanDerWaalsContact O-N 3.08Å; N144-A147 WeakPolarHBondContact OD1-CB 3.47Å; N144-A148 PolarHBondContact O-N 3.23Å; N144-D441 WeakPolarHBondContact CB-OD1 3.25Å; N144-D441 WeakPolarHBondContact CB-OD2 3.47Å; N144-D441 VanDerWaalsContact ND2-CG 3.31Å; N144-D441 PolarHBondContact ND2-OD1 3.03Å; N144-D441 PolarHBondContact ND2-OD2 3.01Å; N144-S443 WeakPolarHBondContact ND2-CB 3.26Å
145	A	96.8	Very high	93.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-57.4	-39.3	-177	0	0	0	0	0	112.2	L135 L143 A147 A148 W149 A442	L135-A145 HydrophobicContact CD2-CB 4.34Å; L143-A145 PolarHBondContact O-N 3.48Å; L143-A145 VanDerWaalsContact O-N 3.13Å; A145-A147 VanDerWaalsContact C-N 3.27Å; A145-A147 PolarHBondContact O-N 2.81Å; A145-A148 WeakPolarHBondContact O-CB 3.42Å; A145-A148 PolarHBondContact O-N 3.27Å; A145-W149 HydrophobicContact CB-CH2 4Å; A145-W149 HydrophobicContact CB-CZ2 3.69Å; A145-W149 PolarHBondContact O-N 3.2Å; A145-A442 HydrophobicContact CB-CB 4.43Å
146	K	94.4	Very high	94	Very high	40 Å²	40	54.5 Å²	54.5	17%	0.174	28%	0.278	C	S	.	.	H	α-helix	trans	-57.9	-34.6	177	-169.7	177.7	-174.9	174.5	0	113.9	Y136 N144 W149 Q150	Y136-K146 HydrophobicContact CD1-CD 4.16Å; Y136-K146 HydrophobicContact CD2-CB 4.14Å; Y136-K146 HydrophobicContact CD2-CD 3.26Å; Y136-K146 HydrophobicContact CD2-CG 4.35Å; Y136-K146 HydrophobicContact CE1-CD 4.39Å; Y136-K146 VanDerWaalsContact CE1-NZ 3.28Å; Y136-K146 HydrophobicContact CE2-CD 3.52Å; Y136-K146 HydrophobicContact CG-CB 4.5Å; Y136-K146 HydrophobicContact CG-CD 3.6Å; Y136-K146 PolarHBondContact OH-NZ 3.46Å; N144-K146 VanDerWaalsContact C-N 3.27Å; N144-K146 PolarHBondContact O-N 3.44Å; K146-W149 VanDerWaalsContact CA-CE3 3.48Å; K146-W149 HydrophobicContact CB-CE3 4.12Å; K146-W149 HydrophobicContact CB-CZ3 4.3Å; K146-W149 HydrophobicContact CG-CE3 4.41Å; K146-Q150 VanDerWaalsContact O-CG 3.26Å; K146-Q150 WeakPolarHBondContact O-CG 3.47Å; K146-Q150 PolarHBondContact O-N 2.77Å
147	A	94.9	Very high	94.3	Very high	22 Å²	22	52.4 Å²	52.4	18%	0.182	29%	0.285	C	S	.	.	H	α-helix	trans	-74.6	-33.3	176.9	0	0	0	0	0	111.8	N144 A145 Q150 L151	N144-A147 PolarHBondContact O-N 2.8Å; N144-A147 VanDerWaalsContact O-N 3.08Å; N144-A147 WeakPolarHBondContact OD1-CB 3.47Å; A145-A147 VanDerWaalsContact C-N 3.27Å; A145-A147 PolarHBondContact O-N 2.81Å; A147-Q150 PolarHBondContact O-N 2.75Å; A147-L151 WeakPolarHBondContact O-CG 3.27Å; A147-L151 PolarHBondContact O-N 3.08Å; A147-L151 VanDerWaalsContact O-N 3.11Å
148	A	97	Very high	94.8	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-64.2	-43.1	170.9	0	0	0	0	0	112	N144 A145 Q150 L151 G152 Y153 L391 A442 V446	N144-A148 PolarHBondContact O-N 3.23Å; A145-A148 WeakPolarHBondContact O-CB 3.42Å; A145-A148 PolarHBondContact O-N 3.27Å; A148-Q150 VanDerWaalsContact C-N 3.31Å; A148-Q150 PolarHBondContact O-N 2.96Å; A148-L151 WeakPolarHBondContact O-CB 3.35Å; A148-L151 PolarHBondContact O-N 2.95Å; A148-L151 VanDerWaalsContact O-N 3.08Å; A148-G152 PolarHBondContact O-N 3.1Å; A148-Y153 PolarHBondContact O-N 3.43Å; A148-L391 HydrophobicContact CB-CD1 3.77Å; A148-A442 HydrophobicContact CB-CB 4.01Å; A148-V446 HydrophobicContact CB-CG2 4.26Å
149	W	97.4	Very high	95.5	Very high	21 Å²	21	47.3 Å²	47.3	8%	0.08	25%	0.251	C	S	.	.	H	α-helix	trans	-62.9	-35.8	173.9	-53.3	-31.7	0	0	0	112.6	F124 F129 L135 A145 K146 L151 G152 Y153 I224 V226 Y228	F124-W149 HydrophobicContact CD2-CZ3 4.47Å; F124-W149 AromaticContact CE2-CE3 3.57Å; F124-W149 HydrophobicContact CE2-CE3 3.57Å; F124-W149 AromaticContact CE2-CZ3 3.59Å; F124-W149 HydrophobicContact CE2-CZ3 3.59Å; F124-W149 HydrophobicContact CZ-CD2 4.35Å; F124-W149 AromaticContact CZ-CE3 3.78Å; F124-W149 HydrophobicContact CZ-CE3 3.78Å; F124-W149 HydrophobicContact CZ-CZ3 4.09Å; F129-W149 HydrophobicContact CE2-CH2 4.11Å; F129-W149 AromaticContact CE2-CZ3 3.88Å; F129-W149 HydrophobicContact CE2-CZ3 3.88Å; F129-W149 HydrophobicContact CZ-CZ3 4.18Å; L135-W149 HydrophobicContact CB-CH2 4.01Å; L135-W149 HydrophobicContact CD1-CH2 4.09Å; L135-W149 HydrophobicContact CG-CH2 4.46Å; A145-W149 HydrophobicContact CB-CH2 4Å; A145-W149 HydrophobicContact CB-CZ2 3.69Å; A145-W149 PolarHBondContact O-N 3.2Å; K146-W149 VanDerWaalsContact CA-CE3 3.48Å; K146-W149 HydrophobicContact CB-CE3 4.12Å; K146-W149 HydrophobicContact CB-CZ3 4.3Å; K146-W149 HydrophobicContact CG-CE3 4.41Å; W149-L151 VanDerWaalsContact C-N 3.28Å; W149-L151 PolarHBondContact O-N 2.64Å; W149-G152 WeakPolarHBondContact O-CA 3.22Å; W149-G152 PolarHBondContact O-N 3.26Å; W149-Y153 WeakPolarHBondContact CA-O 3.41Å; W149-Y153 VanDerWaalsContact CD1-O 3.32Å; W149-I224 HydrophobicContact CH2-CD1 3.49Å; W149-I224 VanDerWaalsContact CH2-CD1 3.49Å; W149-I224 HydrophobicContact CH2-CG1 4.14Å; W149-I224 HydrophobicContact CZ2-CD1 4.09Å; W149-I224 HydrophobicContact CZ3-CD1 3.78Å; W149-V226 PolarHBondContact NE1-O 3.06Å; W149-Y228 AromaticContact CD1-CE1 3.73Å; W149-Y228 AromaticContact CD2-CE1 3.79Å; W149-Y228 HydrophobicContact CD2-CE1 3.79Å; W149-Y228 AromaticContact CE2-CE1 3.69Å; W149-Y228 HydrophobicContact CE3-CE1 4.44Å; W149-Y228 AromaticContact CG-CE1 3.84Å; W149-Y228 HydrophobicContact CG-CE1 3.84Å; W149-Y228 HydrophobicContact CZ2-CD1 4.29Å; W149-Y228 HydrophobicContact CZ2-CE1 4.3Å; W149-Y228 AromaticContact NE1-CD1 3.97Å; W149-Y228 AromaticContact NE1-CE1 3.63Å
150	Q	94.9	Very high	96.2	Very high	124 Å²	124	41.7 Å²	41.7	58%	0.579	22%	0.221	S	C	*	.	H	α-helix	trans	-67.6	-25.1	173.5	-76.2	172.5	-10.2	0	0	113.6	K146 A147 A148	K146-Q150 VanDerWaalsContact O-CG 3.26Å; K146-Q150 WeakPolarHBondContact O-CG 3.47Å; K146-Q150 PolarHBondContact O-N 2.77Å; A147-Q150 PolarHBondContact O-N 2.75Å; A148-Q150 VanDerWaalsContact C-N 3.31Å; A148-Q150 PolarHBondContact O-N 2.96Å
151	L	95.3	Very high	97	Very high	78 Å²	78	34.9 Å²	34.9	41%	0.408	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-7.1	169.6	-66.4	171.7	0	0	0	113	A147 A148 W149 Y153 V446	A147-L151 WeakPolarHBondContact O-CG 3.27Å; A147-L151 PolarHBondContact O-N 3.08Å; A147-L151 VanDerWaalsContact O-N 3.11Å; A148-L151 WeakPolarHBondContact O-CB 3.35Å; A148-L151 PolarHBondContact O-N 2.95Å; A148-L151 VanDerWaalsContact O-N 3.08Å; W149-L151 VanDerWaalsContact C-N 3.28Å; W149-L151 PolarHBondContact O-N 2.64Å; L151-Y153 HydrophobicContact CB-CD2 3.76Å; L151-Y153 HydrophobicContact CB-CE2 3.94Å; L151-V446 HydrophobicContact CD1-CG1 4.13Å
152	G	96.3	Very high	97.3	Very high	48 Å²	48	30.8 Å²	30.8	50%	0.495	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	99	1.6	176	0	0	0	0	0	115.4	A148 W149	A148-G152 PolarHBondContact O-N 3.1Å; W149-G152 WeakPolarHBondContact O-CA 3.22Å; W149-G152 PolarHBondContact O-N 3.26Å
153	Y	98.2	Very high	97.5	Very high	39 Å²	39	30.1 Å²	30.1	15%	0.153	17%	0.171	C	C	.	.			trans	-94.7	131.1	-178.1	-56.9	-77.9	0	0	0	110.4	A148 W149 L151 E394 A395 V446 K450	A148-Y153 PolarHBondContact O-N 3.43Å; W149-Y153 WeakPolarHBondContact CA-O 3.41Å; W149-Y153 VanDerWaalsContact CD1-O 3.32Å; L151-Y153 HydrophobicContact CB-CD2 3.76Å; L151-Y153 HydrophobicContact CB-CE2 3.94Å; Y153-E394 WeakPolarHBondContact CA-OE2 3.49Å; Y153-E394 HydrophobicContact CD1-CB 4.22Å; Y153-E394 HydrophobicContact CD1-CG 3.97Å; Y153-A395 HydrophobicContact CD1-CB 3.84Å; Y153-A395 VanDerWaalsContact CE1-CA 3.41Å; Y153-A395 HydrophobicContact CE1-CB 3.66Å; Y153-A395 HydrophobicContact CE2-CB 4.43Å; Y153-A395 HydrophobicContact CG-CB 4.33Å; Y153-V446 HydrophobicContact CD2-CG1 3.24Å; Y153-V446 HydrophobicContact CE2-CG1 3.6Å; Y153-V446 HydrophobicContact CG-CG1 3.86Å; Y153-K450 HydrophobicContact CE2-CD 4.01Å; Y153-K450 VanDerWaalsContact OH-CD 3.29Å; Y153-K450 WeakPolarHBondContact OH-CD 3.44Å; Y153-K450 VanDerWaalsContact OH-CE 3.26Å; Y153-K450 WeakPolarHBondContact OH-CE 3.41Å; Y153-K450 PolarHBondContact OH-NZ 2.95Å; Y153-K450 VanDerWaalsContact OH-NZ 3.09Å
154	T	98.4	Very high	97.5	Very high	14 Å²	14	30.3 Å²	30.3	9%	0.086	17%	0.172	C	C	.	.	S	Bend	trans	-141.6	6.8	-170.1	57.2	0	0	0	0	113.6	A227 Y228 N229 L391 E394	T154-A227 CarbonylContact O-C 3.53Å; T154-A227 VanDerWaalsContact O-CA 3.3Å; T154-A227 WeakPolarHBondContact O-CA 3.37Å; T154-Y228 HydrophobicContact CG2-CE1 4.22Å; T154-Y228 HydrophobicContact CG2-CE2 3.72Å; T154-Y228 VanDerWaalsContact CG2-CZ 3.45Å; T154-Y228 WeakPolarHBondContact CG2-OH 3.38Å; T154-Y228 PolarHBondContact O-N 3.13Å; T154-N229 WeakPolarHBondContact CB-ND2 3.45Å; T154-N229 PolarHBondContact O-N 3.35Å; T154-N229 WeakPolarHBondContact OG1-CB 3.39Å; T154-N229 PolarHBondContact OG1-ND2 3.18Å; T154-L391 VanDerWaalsContact C-CD2 3.43Å; T154-E394 PolarHBondContact N-OE2 2.68Å
155	G	98.6	Very high	97.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.165	C	C	.	.			trans	92.4	5.2	-175.5	0	0	0	0	0	113.8	G157 V158 A230 L391 E394	G155-G157 PolarHBondContact O-N 2.93Å; G155-V158 WeakPolarHBondContact O-CB 3.35Å; G155-V158 PolarHBondContact O-N 3.05Å; G155-A230 WeakPolarHBondContact O-CA 3.32Å; G155-A230 WeakPolarHBondContact O-CB 3.2Å; G155-L391 VanDerWaalsContact N-CD2 3.28Å; G155-E394 WeakPolarHBondContact CA-OE2 3.4Å; G155-E394 PolarHBondContact N-OE2 3.08Å
156	K	98.6	Very high	97.6	Very high	146 Å²	146	29.1 Å²	29.1	64%	0.635	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	124.9	-164	-170.7	-176.5	174.9	-176.9	0	112.1	V158 N229 E394	K156-V158 PolarHBondContact O-N 3.17Å; K156-N229 WeakPolarHBondContact CA-O 3.34Å; K156-N229 HydrophobicContact CB-CB 4.14Å; K156-E394 WeakPolarHBondContact CB-OE1 3.42Å; K156-E394 VanDerWaalsContact N-CD 3.27Å; K156-E394 PolarHBondContact N-OE2 3.1Å
157	G	98	Very high	97.8	Very high	51 Å²	51	27.3 Å²	27.3	53%	0.526	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	14.2	179.6	0	0	0	0	0	113.8	G155 K397	G155-G157 PolarHBondContact O-N 2.93Å; G157-K397 WeakPolarHBondContact O-CE 3.09Å; G157-K397 PolarHBondContact O-NZ 3.12Å
158	V	98.9	Very high	98	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.149	C	C	.	.			trans	-94.4	142.7	161.9	-179.6	0	0	0	0	108.9	G155 K156 V160 K231 D259 I260 A390 L393 E394	G155-V158 WeakPolarHBondContact O-CB 3.35Å; G155-V158 PolarHBondContact O-N 3.05Å; K156-V158 PolarHBondContact O-N 3.17Å; V158-V160 HydrophobicContact CG1-CG2 4.35Å; V158-K231 PolarHBondContact O-N 3.05Å; V158-D259 WeakPolarHBondContact CA-OD2 3.32Å; V158-D259 HydrophobicContact CG1-CB 3.84Å; V158-D259 WeakPolarHBondContact CG1-OD2 3.2Å; V158-I260 HydrophobicContact CG1-CD1 3.91Å; V158-I260 HydrophobicContact CG1-CG1 4.48Å; V158-A390 HydrophobicContact CB-CB 4.12Å; V158-A390 HydrophobicContact CG1-CB 3.72Å; V158-A390 WeakPolarHBondContact CG2-O 3.31Å; V158-L393 HydrophobicContact CG1-CB 4.42Å; V158-L393 HydrophobicContact CG1-CD1 4.13Å; V158-L393 HydrophobicContact CG2-CB 3.76Å; V158-E394 HydrophobicContact CG2-CB 4.36Å
159	V	98.9	Very high	98	Very high	12 Å²	12	28.9 Å²	28.9	7%	0.073	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	123.6	178	-176.1	0	0	0	0	109.5	A182 K231 H257 I258 D259 I260	V159-A182 HydrophobicContact CG1-CB 3.48Å; V159-A182 VanDerWaalsContact CG1-CB 3.48Å; V159-K231 HydrophobicContact CB-CB 4.48Å; V159-K231 HydrophobicContact CG1-CB 4.43Å; V159-K231 HydrophobicContact CG2-CB 4.13Å; V159-H257 WeakPolarHBondContact CB-O 3.47Å; V159-H257 WeakPolarHBondContact CG2-O 3.45Å; V159-I258 HydrophobicContact CG1-CG1 4.28Å; V159-D259 PolarHBondContact N-OD2 2.95Å; V159-D259 WeakPolarHBondContact O-CB 3.33Å; V159-D259 PolarHBondContact O-N 2.94Å; V159-I260 PolarHBondContact O-N 2.85Å; V159-I260 VanDerWaalsContact O-N 3.14Å
160	V	98.9	Very high	98.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	143.1	177.1	-170.6	0	0	0	0	109.4	V158 V213 K231 I232 G233 I260 A386 A390	V158-V160 HydrophobicContact CG1-CG2 4.35Å; V160-V213 HydrophobicContact CB-CG1 3.97Å; V160-V213 HydrophobicContact CG1-CG1 3.98Å; V160-V213 HydrophobicContact CG1-CG2 4.37Å; V160-V213 HydrophobicContact CG2-CG1 3.82Å; V160-K231 PolarHBondContact N-O 2.73Å; V160-I232 HydrophobicContact CB-CD1 3.91Å; V160-I232 HydrophobicContact CG1-CD1 4.13Å; V160-I232 CarbonylContact O-C 3.53Å; V160-I232 WeakPolarHBondContact O-CA 3.47Å; V160-G233 PolarHBondContact O-N 3.47Å; V160-I260 CarbonylContact C-O 3.57Å; V160-I260 VanDerWaalsContact CA-O 3.31Å; V160-I260 WeakPolarHBondContact CA-O 3.31Å; V160-I260 HydrophobicContact CB-CB 4.49Å; V160-I260 HydrophobicContact CG1-CB 4.13Å; V160-I260 HydrophobicContact CG1-CG2 4.22Å; V160-I260 HydrophobicContact CG2-CB 4.18Å; V160-I260 HydrophobicContact CG2-CD1 4.07Å; V160-A386 HydrophobicContact CG1-CB 4.38Å; V160-A390 HydrophobicContact CG2-CB 4.22Å
161	S	98.9	Very high	98.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	138.6	171.9	-168	0	0	0	0	111.5	A182 I260 Y261 S262	S161-A182 WeakPolarHBondContact CB-O 3.32Å; S161-A182 PolarHBondContact OG-O 3.43Å; S161-I260 PolarHBondContact N-O 2.97Å; S161-Y261 WeakPolarHBondContact O-CA 3.41Å; S161-S262 PolarHBondContact O-N 3.03Å
162	I	98.9	Very high	98.4	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.015	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	114.7	178.5	-55.3	-55.5	0	0	0	108.8	D164 C209 A210 V213 I232 G233 G234 V235	I162-D164 HydrophobicContact CG2-CB 3.79Å; I162-C209 HydrophobicContact CD1-CB 4.22Å; I162-C209 HydrophobicContact CG1-CB 4.46Å; I162-C209 HydrophobicContact CG2-CB 3.81Å; I162-A210 HydrophobicContact CG1-CB 4.07Å; I162-V213 HydrophobicContact CD1-CG2 4.01Å; I162-I232 HydrophobicContact CD1-CD1 4.08Å; I162-I232 HydrophobicContact CG1-CD1 3.92Å; I162-G233 PolarHBondContact N-O 2.88Å; I162-G233 VanDerWaalsContact N-O 3.1Å; I162-G234 CarbonylContact O-C 3.59Å; I162-G234 VanDerWaalsContact O-CA 3.28Å; I162-G234 WeakPolarHBondContact O-CA 3.2Å; I162-V235 PolarHBondContact O-N 3.19Å
163	L	98.8	Very high	98.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	97.5	-180	-55.6	-174.2	0	0	0	109.6	V235 L251 Y261 S262 A263 W265	L163-V235 HydrophobicContact CD2-CB 3.58Å; L163-V235 HydrophobicContact CD2-CG1 4.4Å; L163-V235 HydrophobicContact CD2-CG2 3.37Å; L163-L251 HydrophobicContact CD1-CD2 3.88Å; L163-L251 HydrophobicContact CD1-CG 4.45Å; L163-Y261 HydrophobicContact CD1-CD1 4.11Å; L163-Y261 HydrophobicContact CD2-CD1 4.12Å; L163-Y261 HydrophobicContact CG-CD1 4.33Å; L163-S262 PolarHBondContact N-O 3.12Å; L163-A263 HydrophobicContact CB-CB 4.31Å; L163-W265 HydrophobicContact CB-CZ2 4.5Å; L163-W265 HydrophobicContact CD1-CZ2 4.45Å; L163-W265 PolarHBondContact O-NE1 2.77Å
164	D	98.6	Very high	98.5	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.021	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	-148.9	-162.4	-150.7	-85.3	0	0	0	113.7	I162 G166 H205 G206 V235 M237 L238	I162-D164 HydrophobicContact CG2-CB 3.79Å; D164-G166 VanDerWaalsContact C-N 3.29Å; D164-G166 PolarHBondContact O-N 3.18Å; D164-H205 VanDerWaalsContact CG-ND1 3.26Å; D164-H205 WeakPolarHBondContact OD1-CB 3.39Å; D164-H205 IonicContact OD1-CG 3.18Å; D164-H205 IonicContact OD1-ND1 3.41Å; D164-H205 PolarHBondContact OD1-ND1 3.17Å; D164-H205 VanDerWaalsContact OD1-ND1 3.07Å; D164-H205 IonicContact OD2-CE1 2.79Å; D164-H205 PolarHBondContact OD2-CE1 3.4Å; D164-H205 IonicContact OD2-CG 2.71Å; D164-H205 IonicContact OD2-ND1 3.31Å; D164-H205 PolarHBondContact OD2-ND1 2.9Å; D164-G206 WeakPolarHBondContact OD1-CA 3.49Å; D164-G206 PolarHBondContact OD1-N 2.93Å; D164-V235 PolarHBondContact N-O 3.09Å; D164-V235 VanDerWaalsContact O-O 3.06Å; D164-M237 PolarHBondContact O-N 2.88Å; D164-L238 PolarHBondContact O-N 3.24Å
165	D	97.8	Very high	98.5	Very high	9 Å²	9	23.7 Å²	23.7	5%	0.048	14%	0.138	C	C	.	.	S	Bend	trans	-81.6	1.5	178.3	68	16.6	0	0	0	115.2	N203 R204 H205 G206 R236 L238	D165-N203 HydrophobicContact CB-CB 4.12Å; D165-N203 WeakPolarHBondContact OD2-CA 3.07Å; D165-R204 PolarHBondContact OD2-N 3.04Å; D165-H205 PolarHBondContact OD1-N 3.09Å; D165-H205 WeakPolarHBondContact OD2-CA 3.4Å; D165-H205 WeakPolarHBondContact OD2-CB 3.26Å; D165-H205 PolarHBondContact OD2-N 2.94Å; D165-G206 PolarHBondContact OD1-N 3.01Å; D165-R236 WeakPolarHBondContact O-CD 3.39Å; D165-L238 HydrophobicContact CB-CB 4.49Å
166	G	98.1	Very high	98.5	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.01	17%	0.166	C	C	.	.			trans	117.1	177.1	178.2	0	0	0	0	0	114.4	D164 P193 G206 T207	D164-G166 VanDerWaalsContact C-N 3.29Å; D164-G166 PolarHBondContact O-N 3.18Å; G166-P193 CarbonylContact C-O 3.53Å; G166-P193 VanDerWaalsContact CA-O 3.26Å; G166-P193 WeakPolarHBondContact CA-O 3.44Å; G166-G206 CarbonylContact O-C 3.36Å; G166-G206 VanDerWaalsContact O-C 3.31Å; G166-G206 VanDerWaalsContact O-CA 3.31Å; G166-G206 WeakPolarHBondContact O-CA 3.12Å; G166-T207 PolarHBondContact O-N 3.19Å
167	I	98.6	Very high	98.5	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.005	14%	0.138	C	C	.	.			trans	-132.6	125.1	-179.5	-174.7	175	0	0	0	111.3	K169 L174 Y178 P193 P195 A210 I232	I167-K169 PolarHBondContact O-N 3.39Å; I167-L174 HydrophobicContact CD1-CD1 4.26Å; I167-L174 HydrophobicContact CG1-CD1 4.03Å; I167-Y178 HydrophobicContact CD1-CD2 4.46Å; I167-Y178 HydrophobicContact CG2-CE2 4.12Å; I167-P193 HydrophobicContact CG2-CB 3.99Å; I167-P193 HydrophobicContact CG2-CG 3.45Å; I167-P193 VanDerWaalsContact CG2-CG 3.45Å; I167-P193 PolarHBondContact N-O 2.98Å; I167-P195 WeakPolarHBondContact O-CD 3.32Å; I167-A210 HydrophobicContact CD1-CB 3.53Å; I167-A210 HydrophobicContact CG1-CB 3.96Å; I167-I232 HydrophobicContact CD1-CG1 4.21Å
168	E	98.6	Very high	98.6	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	12%	0.119	C	C	.	.			trans	-68.9	79.3	171.9	-170.8	-179	-71.3	0	0	109.5	N170 H171 Y197 T207 L367 K368 S369	E168-N170 WeakPolarHBondContact CG-OD1 3.45Å; E168-N170 PolarHBondContact O-N 3.35Å; E168-H171 HydrophobicContact CB-CB 4.17Å; E168-H171 HydrophobicContact CG-CB 4.07Å; E168-H171 WeakPolarHBondContact O-CB 3.27Å; E168-H171 PolarHBondContact O-N 2.9Å; E168-H171 IonicContact OE2-CD2 2.7Å; E168-H171 PolarHBondContact OE2-CD2 3.49Å; E168-H171 IonicContact OE2-CG 3.31Å; E168-Y197 PolarHBondContact OE1-OH 2.78Å; E168-T207 HydrophobicContact CB-CG2 3.77Å; E168-T207 PolarHBondContact N-OG1 2.8Å; E168-L367 HydrophobicContact CB-CD1 4.45Å; E168-K368 WeakPolarHBondContact OE1-CA 3.38Å; E168-K368 PolarHBondContact OE1-N 2.83Å; E168-S369 PolarHBondContact OE1-N 3.04Å; E168-S369 WeakPolarHBondContact OE2-CA 3.48Å; E168-S369 WeakPolarHBondContact OE2-CB 3.19Å; E168-S369 PolarHBondContact OE2-N 3.01Å; E168-S369 PolarHBondContact OE2-OG 3.15Å
169	K	97.8	Very high	98.6	Very high	55 Å²	55	22.9 Å²	22.9	24%	0.239	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-24.4	-174.4	67.1	177	-171.9	-66.2	0	114.4	I167 S175 Y178 D192 T194	I167-K169 PolarHBondContact O-N 3.39Å; K169-S175 WeakPolarHBondContact O-CA 3.34Å; K169-Y178 HydrophobicContact CB-CD1 3.97Å; K169-Y178 HydrophobicContact CB-CD2 3.48Å; K169-Y178 VanDerWaalsContact CB-CD2 3.48Å; K169-Y178 HydrophobicContact CB-CE1 3.88Å; K169-Y178 HydrophobicContact CB-CE2 3.38Å; K169-Y178 HydrophobicContact CB-CG 3.77Å; K169-Y178 HydrophobicContact CD-CE1 3.85Å; K169-Y178 HydrophobicContact CD-CE2 4.4Å; K169-Y178 HydrophobicContact CG-CE1 4.46Å; K169-D192 IonicContact NZ-OD1 3.17Å; K169-D192 PolarHBondContact NZ-OD1 2.9Å; K169-D192 IonicContact NZ-OD2 2.69Å; K169-D192 PolarHBondContact NZ-OD2 3.39Å; K169-T194 PolarHBondContact NZ-OG1 3.17Å
170	N	98.1	Very high	98.6	Very high	91 Å²	91	26.2 Å²	26.2	49%	0.487	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	3.5	177.5	64.8	-60.4	0	0	0	113.6	E168	E168-N170 WeakPolarHBondContact CG-OD1 3.45Å; E168-N170 PolarHBondContact O-N 3.35Å
171	H	98.8	Very high	98.5	Very high	1 Å²	1	32 Å²	32	1%	0.005	17%	0.171	C	C	.	.			trans	-54.9	130.8	173	-172.2	-79	0	0	0	108.9	E168 D173 L174 S175 T365 S369 K370	E168-H171 HydrophobicContact CB-CB 4.17Å; E168-H171 HydrophobicContact CG-CB 4.07Å; E168-H171 WeakPolarHBondContact O-CB 3.27Å; E168-H171 PolarHBondContact O-N 2.9Å; E168-H171 IonicContact OE2-CD2 2.7Å; E168-H171 PolarHBondContact OE2-CD2 3.49Å; E168-H171 IonicContact OE2-CG 3.31Å; H171-D173 VanDerWaalsContact CE1-CB 3.47Å; H171-D173 WeakPolarHBondContact CE1-CB 3.45Å; H171-D173 VanDerWaalsContact ND1-CB 3.34Å; H171-D173 WeakPolarHBondContact ND1-CB 3.28Å; H171-D173 PolarHBondContact ND1-N 3.36Å; H171-D173 VanDerWaalsContact ND1-N 3.14Å; H171-D173 PolarHBondContact O-N 3.34Å; H171-L174 HydrophobicContact CB-CB 4.09Å; H171-L174 HydrophobicContact CB-CD1 3.95Å; H171-L174 HydrophobicContact CB-CG 4Å; H171-L174 PolarHBondContact O-N 2.89Å; H171-S175 WeakPolarHBondContact O-CB 3.25Å; H171-S175 PolarHBondContact O-N 2.85Å; H171-S175 PolarHBondContact O-OG 3.5Å; H171-T365 WeakPolarHBondContact CE1-CG2 3.49Å; H171-S369 VanDerWaalsContact CD2-CA 3.5Å; H171-S369 WeakPolarHBondContact CD2-CA 3.49Å; H171-K370 PolarHBondContact NE2-N 2.97Å; H171-K370 PolarHBondContact NE2-O 3.34Å
172	P	98.6	Very high	98.5	Very high	59 Å²	59	32 Å²	32	38%	0.383	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-30.5	-173	20.5	-32.8	0	0	0	112.8	V221	P172-V221 HydrophobicContact CB-CG1 4.39Å; P172-V221 HydrophobicContact CB-CG2 4.43Å; P172-V221 HydrophobicContact CG-CG1 4.06Å
173	D	98.6	Very high	98.5	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-2.2	-179.5	-152.7	14.3	0	0	0	114.8	H171 A215 V216 N219 V221 C222 T365	H171-D173 VanDerWaalsContact CE1-CB 3.47Å; H171-D173 WeakPolarHBondContact CE1-CB 3.45Å; H171-D173 VanDerWaalsContact ND1-CB 3.34Å; H171-D173 WeakPolarHBondContact ND1-CB 3.28Å; H171-D173 PolarHBondContact ND1-N 3.36Å; H171-D173 VanDerWaalsContact ND1-N 3.14Å; H171-D173 PolarHBondContact O-N 3.34Å; D173-A215 WeakPolarHBondContact O-CA 3.36Å; D173-A215 WeakPolarHBondContact OD2-CB 3.3Å; D173-V216 VanDerWaalsContact O-CG2 3.3Å; D173-V216 WeakPolarHBondContact O-CG2 3.34Å; D173-V216 PolarHBondContact O-N 3.48Å; D173-V216 PolarHBondContact OD1-N 3.32Å; D173-N219 PolarHBondContact OD1-ND2 3.38Å; D173-V221 HydrophobicContact CB-CB 4.33Å; D173-V221 HydrophobicContact CB-CG1 3.9Å; D173-C222 WeakPolarHBondContact OD2-CB 3.31Å; D173-T365 HydrophobicContact CB-CG2 3.7Å
174	L	98.8	Very high	98.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.4	-33.5	176.2	-59.4	177.1	0	0	0	112.4	I167 H171 Q176 N177 Y178 T207 A210 T365	I167-L174 HydrophobicContact CD1-CD1 4.26Å; I167-L174 HydrophobicContact CG1-CD1 4.03Å; H171-L174 HydrophobicContact CB-CB 4.09Å; H171-L174 HydrophobicContact CB-CD1 3.95Å; H171-L174 HydrophobicContact CB-CG 4Å; H171-L174 PolarHBondContact O-N 2.89Å; L174-Q176 VanDerWaalsContact C-N 3.26Å; L174-Q176 PolarHBondContact O-N 3.27Å; L174-N177 CarbonylContact O-C 3.51Å; L174-N177 WeakPolarHBondContact O-CA 3.42Å; L174-N177 PolarHBondContact O-N 3.37Å; L174-Y178 PolarHBondContact O-N 3.49Å; L174-T207 HydrophobicContact CD1-CG2 4.34Å; L174-A210 HydrophobicContact CD1-CB 4.01Å; L174-A210 HydrophobicContact CD2-CB 4.23Å; L174-T365 HydrophobicContact CD2-CG2 4.2Å; L174-T365 HydrophobicContact CG-CG2 4.24Å
175	S	98.3	Very high	98.5	Very high	64 Å²	64	36 Å²	36	45%	0.448	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-28.9	-167.4	60.1	0	0	0	0	116.8	K169 H171	K169-S175 WeakPolarHBondContact O-CA 3.34Å; H171-S175 WeakPolarHBondContact O-CB 3.25Å; H171-S175 PolarHBondContact O-N 2.85Å; H171-S175 PolarHBondContact O-OG 3.5Å
176	Q	98.4	Very high	98.5	Very high	127 Å²	127	36.4 Å²	36.4	59%	0.593	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75	-36.1	174.7	-176.4	-176.4	-60.6	0	0	112.5	L174 V216 K231	L174-Q176 VanDerWaalsContact C-N 3.26Å; L174-Q176 PolarHBondContact O-N 3.27Å; Q176-V216 HydrophobicContact CB-CG1 4.5Å; Q176-V216 HydrophobicContact CB-CG2 3.9Å; Q176-K231 PolarHBondContact O-NZ 3.05Å
177	N	98.8	Very high	98.2	Very high	8 Å²	8	38.1 Å²	38.1	4%	0.043	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-13.2	-179.6	-72.8	-10.2	0	0	0	112.4	L174 A214 V216 Y228 A230 K231 I232	L174-N177 CarbonylContact O-C 3.51Å; L174-N177 WeakPolarHBondContact O-CA 3.42Å; L174-N177 PolarHBondContact O-N 3.37Å; N177-A214 PolarHBondContact ND2-O 2.92Å; N177-V216 HydrophobicContact CB-CG2 4.2Å; N177-V216 WeakPolarHBondContact ND2-CG2 3.47Å; N177-Y228 PolarHBondContact ND2-O 2.66Å; N177-A230 WeakPolarHBondContact CB-O 3.31Å; N177-K231 WeakPolarHBondContact O-CA 3.36Å; N177-K231 WeakPolarHBondContact O-CD 3.42Å; N177-I232 HydrophobicContact CB-CG2 4.03Å; N177-I232 PolarHBondContact O-N 3.29Å
178	Y	98.9	Very high	98.1	Very high	33 Å²	33	43 Å²	43	13%	0.129	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-52.1	143.3	175.4	-178.9	-106.6	0	0	0	112.2	I167 K169 L174 P180 S183 P193 K231 I232	I167-Y178 HydrophobicContact CD1-CD2 4.46Å; I167-Y178 HydrophobicContact CG2-CE2 4.12Å; K169-Y178 HydrophobicContact CB-CD1 3.97Å; K169-Y178 HydrophobicContact CB-CD2 3.48Å; K169-Y178 VanDerWaalsContact CB-CD2 3.48Å; K169-Y178 HydrophobicContact CB-CE1 3.88Å; K169-Y178 HydrophobicContact CB-CE2 3.38Å; K169-Y178 HydrophobicContact CB-CG 3.77Å; K169-Y178 HydrophobicContact CD-CE1 3.85Å; K169-Y178 HydrophobicContact CD-CE2 4.4Å; K169-Y178 HydrophobicContact CG-CE1 4.46Å; L174-Y178 PolarHBondContact O-N 3.49Å; Y178-P180 HydrophobicContact CE1-CB 4.05Å; Y178-S183 VanDerWaalsContact CE2-OG 3.31Å; Y178-S183 WeakPolarHBondContact CE2-OG 3.41Å; Y178-S183 WeakPolarHBondContact OH-CB 3.17Å; Y178-S183 PolarHBondContact OH-OG 2.8Å; Y178-P193 HydrophobicContact CE2-CG 4.45Å; Y178-K231 PolarHBondContact O-NZ 3.24Å; Y178-I232 CarbonylContact C-O 3.54Å; Y178-I232 VanDerWaalsContact CA-O 3.26Å; Y178-I232 WeakPolarHBondContact CA-O 3.44Å
179	D	98.9	Very high	97.9	Very high	12 Å²	12	46.3 Å²	46.3	6%	0.064	25%	0.252	C	S	.	.			trans	-137.3	113.4	178.7	-170.8	-15.3	0	0	0	110.7	E181 A182 S183 K231 I232 H257	D179-E181 VanDerWaalsContact C-N 3.32Å; D179-E181 PolarHBondContact OD1-N 2.94Å; D179-A182 HydrophobicContact CB-CB 3.91Å; D179-A182 PolarHBondContact O-N 3.22Å; D179-S183 PolarHBondContact O-OG 3.31Å; D179-K231 HydrophobicContact CB-CB 3.99Å; D179-K231 HydrophobicContact CB-CD 4.26Å; D179-K231 HydrophobicContact CB-CG 4.41Å; D179-I232 PolarHBondContact N-O 3.16Å; D179-H257 IonicContact OD1-NE2 3.43Å; D179-H257 IonicContact OD2-CD2 3.57Å; D179-H257 IonicContact OD2-CE1 3.07Å; D179-H257 IonicContact OD2-NE2 3.54Å; D179-H257 PolarHBondContact OD2-NE2 3.19Å
180	P	98.7	Very high	97.9	Very high	81 Å²	81	46.6 Å²	46.6	53%	0.526	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-70.7	-24.5	177.4	30.7	-35	0	0	0	113	Y178 A182 S183	Y178-P180 HydrophobicContact CE1-CB 4.05Å; P180-A182 PolarHBondContact O-N 2.81Å; P180-S183 PolarHBondContact O-N 2.98Å
181	E	98.5	Very high	97.9	Very high	123 Å²	123	46.7 Å²	46.7	58%	0.575	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-77.6	-13.4	176.4	-66.1	-174.6	95.2	0	0	111.9	D179 N254 H257	D179-E181 VanDerWaalsContact C-N 3.32Å; D179-E181 PolarHBondContact OD1-N 2.94Å; E181-N254 PolarHBondContact O-ND2 2.69Å; E181-H257 WeakPolarHBondContact CB-NE2 3.26Å
182	A	98.8	Very high	97.8	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-94.6	9.4	170.9	0	0	0	0	0	113.5	V159 S161 D179 P180 G233 I258	V159-A182 HydrophobicContact CG1-CB 3.48Å; V159-A182 VanDerWaalsContact CG1-CB 3.48Å; S161-A182 WeakPolarHBondContact CB-O 3.32Å; S161-A182 PolarHBondContact OG-O 3.43Å; D179-A182 HydrophobicContact CB-CB 3.91Å; D179-A182 PolarHBondContact O-N 3.22Å; P180-A182 PolarHBondContact O-N 2.81Å; A182-G233 WeakPolarHBondContact O-CA 3.5Å; A182-I258 HydrophobicContact CB-CD1 4.4Å; A182-I258 HydrophobicContact CB-CG1 4.08Å
183	S	98.9	Very high	97.8	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.021	26%	0.259	C	S	.	.			trans	-134.7	147.3	-164.9	-63	0	0	0	0	113.4	Y178 D179 P180 G233 G234	Y178-S183 VanDerWaalsContact CE2-OG 3.31Å; Y178-S183 WeakPolarHBondContact CE2-OG 3.41Å; Y178-S183 WeakPolarHBondContact OH-CB 3.17Å; Y178-S183 PolarHBondContact OH-OG 2.8Å; D179-S183 PolarHBondContact O-OG 3.31Å; P180-S183 PolarHBondContact O-N 2.98Å; S183-G233 WeakPolarHBondContact OG-CA 3.15Å; S183-G234 VanDerWaalsContact CA-O 3.22Å; S183-G234 WeakPolarHBondContact CA-O 3.26Å; S183-G234 WeakPolarHBondContact CB-O 3.41Å; S183-G234 PolarHBondContact OG-N 2.59Å; S183-G234 VanDerWaalsContact OG-N 3.13Å
184	Y	98.8	Very high	97.8	Very high	86 Å²	86	48.3 Å²	48.3	34%	0.337	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	154.9	173.3	-159.7	-101.9	0	0	0	111.5	V186 A189 G234 V235 R236 L253	Y184-V186 HydrophobicContact CD1-CG2 3.87Å; Y184-A189 PolarHBondContact OH-O 3.32Å; Y184-G234 PolarHBondContact N-O 3.38Å; Y184-V235 CarbonylContact O-C 3.55Å; Y184-V235 WeakPolarHBondContact O-CA 3.34Å; Y184-R236 PolarHBondContact O-N 2.97Å; Y184-L253 HydrophobicContact CG-CD1 4.38Å
185	D	98.6	Very high	97.7	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	108.5	168.4	-159	-53.3	0	0	0	110.1	N187 D188 A189 D190 R236	D185-N187 WeakPolarHBondContact OD1-CA 3.44Å; D185-N187 PolarHBondContact OD1-N 3.47Å; D185-D188 PolarHBondContact OD1-N 3.04Å; D185-A189 CarbonylContact O-C 3.54Å; D185-A189 WeakPolarHBondContact O-CA 3.45Å; D185-A189 PolarHBondContact O-N 3.31Å; D185-D190 WeakPolarHBondContact CA-O 3.49Å; D185-D190 VanDerWaalsContact CB-O 3.3Å; D185-D190 WeakPolarHBondContact CB-O 3.32Å; D185-D190 PolarHBondContact N-O 2.9Å; D185-D190 PolarHBondContact O-N 3.37Å; D185-D190 VanDerWaalsContact O-N 3.09Å; D185-R236 HydrophobicContact CB-CB 4.46Å; D185-R236 IonicContact OD1-NH1 3.74Å; D185-R236 WeakPolarHBondContact OD2-CB 3.33Å; D185-R236 WeakPolarHBondContact OD2-CD 3.49Å; D185-R236 VanDerWaalsContact OD2-CG 3.31Å; D185-R236 WeakPolarHBondContact OD2-CG 3.39Å; D185-R236 IonicContact OD2-CZ 3.94Å; D185-R236 IonicContact OD2-NE 3.74Å; D185-R236 IonicContact OD2-NH1 3.83Å; D185-R236 PolarHBondContact OD2-NH1 3.34Å
186	V	96.3	Very high	97.6	Very high	18 Å²	18	51.5 Å²	51.5	11%	0.109	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-21.5	179.1	-174.2	0	0	0	0	110.9	Y184 V235 R236 M237 V246 Q249	Y184-V186 HydrophobicContact CD1-CG2 3.87Å; V186-V235 HydrophobicContact CG2-CG1 3.59Å; V186-R236 PolarHBondContact N-O 3.39Å; V186-M237 HydrophobicContact CB-CB 4.24Å; V186-V246 HydrophobicContact CB-CG1 4.46Å; V186-V246 HydrophobicContact CG1-CB 4.13Å; V186-V246 HydrophobicContact CG1-CG1 3.82Å; V186-V246 HydrophobicContact CG1-CG2 4.1Å; V186-Q249 HydrophobicContact CG1-CB 4.31Å
187	N	93.4	Very high	97.5	Very high	37 Å²	37	50.1 Å²	50.1	20%	0.198	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-45.9	177.9	-64.3	128.9	0	0	0	111.5	D185 R236 M237 D239	D185-N187 WeakPolarHBondContact OD1-CA 3.44Å; D185-N187 PolarHBondContact OD1-N 3.47Å; N187-R236 PolarHBondContact N-O 2.89Å; N187-R236 VanDerWaalsContact OD1-C 3.3Å; N187-R236 WeakPolarHBondContact OD1-CG 3.49Å; N187-R236 PolarHBondContact OD1-O 2.91Å; N187-M237 PolarHBondContact ND2-O 3.46Å; N187-M237 WeakPolarHBondContact OD1-CA 3.42Å; N187-M237 PolarHBondContact OD1-N 3.12Å; N187-M237 PolarHBondContact OD1-O 3.44Å; N187-D239 PolarHBondContact OD1-N 3.21Å; N187-D239 VanDerWaalsContact OD1-N 3.08Å
188	D	95.1	Very high	97.3	Very high	103 Å²	103	51 Å²	51	55%	0.551	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	-1.3	179.8	-71.2	-46.4	0	0	0	113.5	D185 R236	D185-D188 PolarHBondContact OD1-N 3.04Å; D188-R236 IonicContact OD2-CZ 3.8Å; D188-R236 IonicContact OD2-NH1 3.17Å; D188-R236 PolarHBondContact OD2-NH1 3.33Å; D188-R236 IonicContact OD2-NH2 2.91Å; D188-R236 PolarHBondContact OD2-NH2 2.91Å
189	A	95	Very high	96.9	Very high	71 Å²	71	58.4 Å²	58.4	59%	0.587	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	44.3	173.5	0	0	0	0	0	115.4	Y184 D185	Y184-A189 PolarHBondContact OH-O 3.32Å; D185-A189 CarbonylContact O-C 3.54Å; D185-A189 WeakPolarHBondContact O-CA 3.45Å; D185-A189 PolarHBondContact O-N 3.31Å
190	D	97.6	Very high	96.5	Very high	61 Å²	61	63.9 Å²	63.9	33%	0.326	33%	0.331	S	S	.	.	B	Isolated β-bridge	trans	-140.3	170	-178.4	88.7	72.7	0	0	0	112	D185 D192	D185-D190 WeakPolarHBondContact CA-O 3.49Å; D185-D190 VanDerWaalsContact CB-O 3.3Å; D185-D190 WeakPolarHBondContact CB-O 3.32Å; D185-D190 PolarHBondContact N-O 2.9Å; D185-D190 PolarHBondContact O-N 3.37Å; D185-D190 VanDerWaalsContact O-N 3.09Å; D190-D192 VanDerWaalsContact C-N 3.32Å; D190-D192 PolarHBondContact O-N 3.3Å; D190-D192 VanDerWaalsContact OD1-CB 3.31Å; D190-D192 WeakPolarHBondContact OD1-CB 3.49Å; D190-D192 PolarHBondContact OD1-N 2.88Å
191	P	97.6	Very high	96.3	Very high	92 Å²	92	62.1 Å²	62.1	60%	0.597	32%	0.317	S	S	*	.	S	Bend	trans	-82.9	3.7	-173.8	34.9	-36.1	0	0	0	115.1	P193	P191-P193 WeakPolarHBondContact O-CD 3.34Å
192	D	98.1	Very high	96	Very high	61 Å²	61	60 Å²	60	33%	0.326	31%	0.31	S	S	.	.			trans	-105.6	96.4	-175.9	-169.2	-13.6	0	0	0	113	K169 D190 T194	K169-D192 IonicContact NZ-OD1 3.17Å; K169-D192 PolarHBondContact NZ-OD1 2.9Å; K169-D192 IonicContact NZ-OD2 2.69Å; K169-D192 PolarHBondContact NZ-OD2 3.39Å; D190-D192 VanDerWaalsContact C-N 3.32Å; D190-D192 PolarHBondContact O-N 3.3Å; D190-D192 VanDerWaalsContact OD1-CB 3.31Å; D190-D192 WeakPolarHBondContact OD1-CB 3.49Å; D190-D192 PolarHBondContact OD1-N 2.88Å; D192-T194 PolarHBondContact O-N 2.82Å; D192-T194 WeakPolarHBondContact OD1-CB 3.41Å; D192-T194 PolarHBondContact OD1-N 3.05Å; D192-T194 PolarHBondContact OD1-OG1 3.13Å
193	P	98.3	Very high	95.9	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.313	C	S	.	.			trans	-76.8	25.4	-176.4	40.3	-45.8	0	0	0	113.9	G166 I167 Y178 P191 P195 G234 R236	G166-P193 CarbonylContact C-O 3.53Å; G166-P193 VanDerWaalsContact CA-O 3.26Å; G166-P193 WeakPolarHBondContact CA-O 3.44Å; I167-P193 HydrophobicContact CG2-CB 3.99Å; I167-P193 HydrophobicContact CG2-CG 3.45Å; I167-P193 VanDerWaalsContact CG2-CG 3.45Å; I167-P193 PolarHBondContact N-O 2.98Å; Y178-P193 HydrophobicContact CE2-CG 4.45Å; P191-P193 WeakPolarHBondContact O-CD 3.34Å; P193-P195 WeakPolarHBondContact O-CD 3.39Å; P193-G234 WeakPolarHBondContact CB-O 3.48Å; P193-R236 HydrophobicContact CB-CB 4.34Å
194	T	98	Very high	95.8	Very high	33 Å²	33	64.7 Å²	64.7	20%	0.202	33%	0.328	C	S	.	.			trans	-67	125.7	-174	-64.5	0	0	0	0	110.5	K169 D192 R196 Y197	K169-T194 PolarHBondContact NZ-OG1 3.17Å; D192-T194 PolarHBondContact O-N 2.82Å; D192-T194 WeakPolarHBondContact OD1-CB 3.41Å; D192-T194 PolarHBondContact OD1-N 3.05Å; D192-T194 PolarHBondContact OD1-OG1 3.13Å; T194-R196 PolarHBondContact O-N 3.28Å; T194-Y197 HydrophobicContact CG2-CE2 4.14Å
195	P	97.6	Very high	95.8	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.013	32%	0.322	C	S	.	.			trans	-60.8	136.8	-178.7	-21.3	28.8	0	0	0	112.3	I167 P193 Y197 N203 L367	I167-P195 WeakPolarHBondContact O-CD 3.32Å; P193-P195 WeakPolarHBondContact O-CD 3.39Å; P195-Y197 WeakPolarHBondContact O-CD2 3.47Å; P195-Y197 WeakPolarHBondContact O-CE2 3.27Å; P195-Y197 PolarHBondContact O-N 3.06Å; P195-Y197 VanDerWaalsContact O-N 3.16Å; P195-N203 HydrophobicContact CB-CB 3.93Å; P195-N203 VanDerWaalsContact CB-O 3.23Å; P195-N203 WeakPolarHBondContact CB-O 3.22Å; P195-L367 HydrophobicContact CB-CD1 3.82Å; P195-L367 HydrophobicContact CG-CD1 3.89Å
196	R	96.6	Very high	95.8	Very high	129 Å²	129	62.7 Å²	62.7	49%	0.487	32%	0.321	S	S	.	.			trans	-69.7	109.3	172.5	-177.8	-179.2	61.9	87.6	1.7	110	T194 T198 N203 D239	T194-R196 PolarHBondContact O-N 3.28Å; R196-T198 PolarHBondContact O-N 2.88Å; R196-N203 PolarHBondContact O-ND2 3.38Å; R196-D239 VanDerWaalsContact CB-OD2 3.27Å; R196-D239 WeakPolarHBondContact CB-OD2 3.45Å; R196-D239 IonicContact CZ-OD1 3.61Å; R196-D239 IonicContact CZ-OD2 3.93Å; R196-D239 IonicContact NE-OD1 2.76Å; R196-D239 PolarHBondContact NE-OD1 3.47Å; R196-D239 IonicContact NE-OD2 3.62Å; R196-D239 PolarHBondContact NE-OD2 2.93Å; R196-D239 IonicContact NH2-OD1 3.63Å; R196-D239 PolarHBondContact NH2-OD1 2.71Å; R196-D239 IonicContact NH2-OD2 2.77Å
197	Y	95.6	Very high	95.9	Very high	99 Å²	99	61.8 Å²	61.8	39%	0.388	32%	0.316	S	S	.	.			trans	-69	115.4	-177.5	-60.7	-90.8	0	0	0	112.8	E168 T194 P195 L367 K368	E168-Y197 PolarHBondContact OE1-OH 2.78Å; T194-Y197 HydrophobicContact CG2-CE2 4.14Å; P195-Y197 WeakPolarHBondContact O-CD2 3.47Å; P195-Y197 WeakPolarHBondContact O-CE2 3.27Å; P195-Y197 PolarHBondContact O-N 3.06Å; P195-Y197 VanDerWaalsContact O-N 3.16Å; Y197-L367 HydrophobicContact CD1-CD1 4.05Å; Y197-L367 HydrophobicContact CD1-CD2 3.82Å; Y197-L367 HydrophobicContact CD1-CG 3.81Å; Y197-L367 HydrophobicContact CE1-CD1 3.65Å; Y197-L367 HydrophobicContact CE1-CD2 4.27Å; Y197-L367 HydrophobicContact CE1-CG 3.74Å; Y197-K368 HydrophobicContact CD1-CD 4.4Å; Y197-K368 HydrophobicContact CD1-CG 3.69Å; Y197-K368 HydrophobicContact CE1-CG 3.8Å
198	T	94.3	Very high	96.1	Very high	25 Å²	25	61.1 Å²	61.1	15%	0.153	31%	0.311	C	S	.	.			trans	-101.7	176.6	171.3	74.2	0	0	0	0	112.1	R196 L200 N201 D202 K368	R196-T198 PolarHBondContact O-N 2.88Å; T198-L200 PolarHBondContact OG1-N 3.27Å; T198-N201 PolarHBondContact OG1-N 3.49Å; T198-D202 VanDerWaalsContact CB-OD2 3.23Å; T198-D202 WeakPolarHBondContact CB-OD2 3.39Å; T198-D202 WeakPolarHBondContact CG2-OD2 3.45Å; T198-D202 PolarHBondContact OG1-N 2.96Å; T198-D202 VanDerWaalsContact OG1-N 3.17Å; T198-D202 PolarHBondContact OG1-OD2 3.06Å; T198-K368 PolarHBondContact O-NZ 2.94Å
199	Q	90.7	Very high	96.3	Very high	190 Å²	190	56.4 Å²	56.4	89%	0.888	29%	0.286	S	S	*	.	S	Bend	trans	-72.2	-38.4	171.8	-65.7	-172.7	6.1	0	0	111.9	N201	Q199-N201 VanDerWaalsContact C-N 3.3Å; Q199-N201 PolarHBondContact O-ND2 3.31Å
200	L	91.3	Very high	96.5	Very high	127 Å²	127	53 Å²	53	67%	0.665	26%	0.258	S	S	*	.	S	Bend	trans	-78.1	-15.4	179.1	-60.1	177.2	0	0	0	112.8	T198 D202 R204	T198-L200 PolarHBondContact OG1-N 3.27Å; L200-D202 VanDerWaalsContact CB-OD1 3.23Å; L200-D202 WeakPolarHBondContact CB-OD1 3.22Å; L200-R204 PolarHBondContact O-NH1 3.33Å; L200-R204 VanDerWaalsContact O-NH1 3.09Å
201	N	93.5	Very high	96.6	Very high	43 Å²	43	50.1 Å²	50.1	23%	0.23	24%	0.242	C	C	.	.			trans	60.5	50.3	-174	-38	-87.3	0	0	0	110.4	T198 Q199 R204 L367 K368	T198-N201 PolarHBondContact OG1-N 3.49Å; Q199-N201 VanDerWaalsContact C-N 3.3Å; Q199-N201 PolarHBondContact O-ND2 3.31Å; N201-R204 WeakPolarHBondContact O-CB 3.38Å; N201-R204 WeakPolarHBondContact O-CD 3.47Å; N201-R204 WeakPolarHBondContact O-CG 3.09Å; N201-R204 PolarHBondContact O-NH1 2.89Å; N201-L367 HydrophobicContact CB-CD2 4.15Å; N201-K368 VanDerWaalsContact OD1-CE 3.24Å; N201-K368 WeakPolarHBondContact OD1-CE 3.38Å; N201-K368 PolarHBondContact OD1-NZ 2.76Å
202	D	91.4	Very high	96.6	Very high	80 Å²	80	45.8 Å²	45.8	43%	0.428	21%	0.214	S	C	.	.			trans	-62.7	-50.2	-178.1	-47.7	-67	0	0	0	109.3	T198 L200 R204	T198-D202 VanDerWaalsContact CB-OD2 3.23Å; T198-D202 WeakPolarHBondContact CB-OD2 3.39Å; T198-D202 WeakPolarHBondContact CG2-OD2 3.45Å; T198-D202 PolarHBondContact OG1-N 2.96Å; T198-D202 VanDerWaalsContact OG1-N 3.17Å; T198-D202 PolarHBondContact OG1-OD2 3.06Å; L200-D202 VanDerWaalsContact CB-OD1 3.23Å; L200-D202 WeakPolarHBondContact CB-OD1 3.22Å; D202-R204 VanDerWaalsContact C-N 3.26Å; D202-R204 PolarHBondContact O-N 2.99Å
203	N	96.5	Very high	96.7	Very high	11 Å²	11	42.9 Å²	42.9	6%	0.059	20%	0.198	C	C	.	.	S	Bend	trans	-79.5	62	179.9	-54.7	-35.2	0	0	0	112.6	D165 P195 R196 D239 L367	D165-N203 HydrophobicContact CB-CB 4.12Å; D165-N203 WeakPolarHBondContact OD2-CA 3.07Å; P195-N203 HydrophobicContact CB-CB 3.93Å; P195-N203 VanDerWaalsContact CB-O 3.23Å; P195-N203 WeakPolarHBondContact CB-O 3.22Å; R196-N203 PolarHBondContact O-ND2 3.38Å; N203-D239 PolarHBondContact ND2-OD1 2.69Å; N203-D239 PolarHBondContact ND2-OD2 2.9Å; N203-D239 VanDerWaalsContact ND2-OD2 3.17Å; N203-D239 PolarHBondContact OD1-OD1 2.77Å; N203-L367 WeakPolarHBondContact O-CD2 3.36Å
204	R	97.6	Very high	96.7	Very high	90 Å²	90	42.9 Å²	42.9	34%	0.34	20%	0.198	S	C	.	.			trans	-117.9	-9.9	-179.5	67.5	179.8	174	-109.1	1.6	113.5	D165 L200 N201 D202 R208 L367	D165-R204 PolarHBondContact OD2-N 3.04Å; L200-R204 PolarHBondContact O-NH1 3.33Å; L200-R204 VanDerWaalsContact O-NH1 3.09Å; N201-R204 WeakPolarHBondContact O-CB 3.38Å; N201-R204 WeakPolarHBondContact O-CD 3.47Å; N201-R204 WeakPolarHBondContact O-CG 3.09Å; N201-R204 PolarHBondContact O-NH1 2.89Å; D202-R204 VanDerWaalsContact C-N 3.26Å; D202-R204 PolarHBondContact O-N 2.99Å; R204-R208 WeakPolarHBondContact O-CG 3.35Å; R204-R208 PolarHBondContact O-N 3.04Å; R204-L367 HydrophobicContact CB-CB 3.84Å; R204-L367 HydrophobicContact CB-CD2 4.44Å
205	H	98.1	Very high	96.7	Very high	44 Å²	44	41.4 Å²	41.4	20%	0.204	19%	0.19	C	C	.	.	H	α-helix	trans	-74.8	-47.6	-163	-173.7	-85.4	0	0	0	111.7	D164 D165 T207 R208 C209 S264 H375 S379	D164-H205 VanDerWaalsContact CG-ND1 3.26Å; D164-H205 WeakPolarHBondContact OD1-CB 3.39Å; D164-H205 IonicContact OD1-CG 3.18Å; D164-H205 IonicContact OD1-ND1 3.41Å; D164-H205 PolarHBondContact OD1-ND1 3.17Å; D164-H205 VanDerWaalsContact OD1-ND1 3.07Å; D164-H205 IonicContact OD2-CE1 2.79Å; D164-H205 PolarHBondContact OD2-CE1 3.4Å; D164-H205 IonicContact OD2-CG 2.71Å; D164-H205 IonicContact OD2-ND1 3.31Å; D164-H205 PolarHBondContact OD2-ND1 2.9Å; D165-H205 PolarHBondContact OD1-N 3.09Å; D165-H205 WeakPolarHBondContact OD2-CA 3.4Å; D165-H205 WeakPolarHBondContact OD2-CB 3.26Å; D165-H205 PolarHBondContact OD2-N 2.94Å; H205-T207 VanDerWaalsContact C-N 3.29Å; H205-T207 PolarHBondContact O-N 3.46Å; H205-R208 WeakPolarHBondContact O-CB 3.35Å; H205-R208 PolarHBondContact O-N 3.47Å; H205-C209 PolarHBondContact CE1-SG 3.02Å; H205-C209 PolarHBondContact O-N 2.04Å; H205-C209 PolarHBondContact O-SG 3.14Å; H205-S264 PolarHBondContact CE1-OG 2.91Å; H205-H375 AromaticContact CD2-CE1 3.77Å; H205-H375 AromaticContact NE2-CE1 3.52Å; H205-S379 WeakPolarHBondContact NE2-CB 3.31Å
206	G	98.4	Very high	96.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64.1	-34.7	176.8	0	0	0	0	0	112.7	D164 D165 G166 R208 C209 A210	D164-G206 WeakPolarHBondContact OD1-CA 3.49Å; D164-G206 PolarHBondContact OD1-N 2.93Å; D165-G206 PolarHBondContact OD1-N 3.01Å; G166-G206 CarbonylContact O-C 3.36Å; G166-G206 VanDerWaalsContact O-C 3.31Å; G166-G206 VanDerWaalsContact O-CA 3.31Å; G166-G206 WeakPolarHBondContact O-CA 3.12Å; G206-R208 VanDerWaalsContact C-N 3.33Å; G206-R208 PolarHBondContact O-N 3.49Å; G206-C209 PolarHBondContact O-N 2.78Å; G206-A210 WeakPolarHBondContact O-CB 3.34Å; G206-A210 PolarHBondContact O-N 3.17Å
207	T	98.8	Very high	96.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-66.8	-31.5	173.6	-61.8	0	0	0	0	112.7	G166 E168 L174 H205 T365	G166-T207 PolarHBondContact O-N 3.19Å; E168-T207 HydrophobicContact CB-CG2 3.77Å; E168-T207 PolarHBondContact N-OG1 2.8Å; L174-T207 HydrophobicContact CD1-CG2 4.34Å; H205-T207 VanDerWaalsContact C-N 3.29Å; H205-T207 PolarHBondContact O-N 3.46Å; T207-T365 PolarHBondContact O-OG1 3.28Å
208	R	98.8	Very high	96.8	Very high	23 Å²	23	35.3 Å²	35.3	9%	0.087	18%	0.176	C	C	.	.	H	α-helix	trans	-72.1	-48	173.5	-73.2	166.4	173.6	-134.9	-6	111.3	R204 H205 G206 A210 G211 E212 T364 T365 D366 T372 S374	R204-R208 WeakPolarHBondContact O-CG 3.35Å; R204-R208 PolarHBondContact O-N 3.04Å; H205-R208 WeakPolarHBondContact O-CB 3.35Å; H205-R208 PolarHBondContact O-N 3.47Å; G206-R208 VanDerWaalsContact C-N 3.33Å; G206-R208 PolarHBondContact O-N 3.49Å; R208-A210 VanDerWaalsContact C-N 3.32Å; R208-A210 PolarHBondContact O-N 3.17Å; R208-G211 PolarHBondContact O-N 3.1Å; R208-E212 PolarHBondContact O-N 2.85Å; R208-T364 HydrophobicContact CB-CG2 3.72Å; R208-T364 HydrophobicContact CG-CG2 4.06Å; R208-T364 WeakPolarHBondContact O-CG2 3.47Å; R208-T364 PolarHBondContact O-OG1 3.25Å; R208-T365 WeakPolarHBondContact CA-O 3.31Å; R208-T365 VanDerWaalsContact CG-O 3.23Å; R208-T365 WeakPolarHBondContact CG-O 3.28Å; R208-D366 IonicContact CZ-OD1 3.94Å; R208-D366 IonicContact CZ-OD2 2.96Å; R208-D366 IonicContact NE-OD1 3.83Å; R208-D366 PolarHBondContact NE-OD1 3.46Å; R208-D366 IonicContact NE-OD2 3.43Å; R208-D366 VanDerWaalsContact NH2-CG 3.3Å; R208-D366 IonicContact NH2-OD1 3.74Å; R208-D366 PolarHBondContact NH2-OD1 3.01Å; R208-D366 IonicContact NH2-OD2 3.7Å; R208-D366 PolarHBondContact NH2-OD2 3.33Å; R208-T372 HydrophobicContact CG-CG2 4.09Å; R208-T372 PolarHBondContact NH2-OG1 3.06Å; R208-S374 PolarHBondContact NH1-O 2.53Å
209	C	98.9	Very high	96.9	Very high	3 Å²	3	36.9 Å²	36.9	2%	0.02	18%	0.183	C	C	.	.	H	α-helix	trans	-57.8	-42.8	176.8	-65.3	0	0	0	0	112.2	I162 H205 G206 G211 E212 V213 P383	I162-C209 HydrophobicContact CD1-CB 4.22Å; I162-C209 HydrophobicContact CG1-CB 4.46Å; I162-C209 HydrophobicContact CG2-CB 3.81Å; H205-C209 PolarHBondContact CE1-SG 3.02Å; H205-C209 PolarHBondContact O-N 2.04Å; H205-C209 PolarHBondContact O-SG 3.14Å; G206-C209 PolarHBondContact O-N 2.78Å; C209-G211 VanDerWaalsContact C-N 3.31Å; C209-G211 PolarHBondContact O-N 3.05Å; C209-E212 PolarHBondContact O-N 3.48Å; C209-V213 PolarHBondContact O-N 2.79Å; C209-P383 HydrophobicContact CB-CB 4.19Å; C209-P383 HydrophobicContact CB-CG 3.55Å
210	A	98.9	Very high	97.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.5	-38.3	179.5	0	0	0	0	0	113.3	I162 I167 L174 G206 R208 V213 A214 I232	I162-A210 HydrophobicContact CG1-CB 4.07Å; I167-A210 HydrophobicContact CD1-CB 3.53Å; I167-A210 HydrophobicContact CG1-CB 3.96Å; L174-A210 HydrophobicContact CD1-CB 4.01Å; L174-A210 HydrophobicContact CD2-CB 4.23Å; G206-A210 WeakPolarHBondContact O-CB 3.34Å; G206-A210 PolarHBondContact O-N 3.17Å; R208-A210 VanDerWaalsContact C-N 3.32Å; R208-A210 PolarHBondContact O-N 3.17Å; A210-V213 PolarHBondContact O-N 3.44Å; A210-A214 PolarHBondContact O-N 2.94Å; A210-I232 HydrophobicContact CB-CG1 3.94Å
211	G	98.8	Very high	97.5	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-68.3	-35.1	178	0	0	0	0	0	113.5	R208 C209 V213 A214 A215 G225 T364 T365	R208-G211 PolarHBondContact O-N 3.1Å; C209-G211 VanDerWaalsContact C-N 3.31Å; C209-G211 PolarHBondContact O-N 3.05Å; G211-V213 VanDerWaalsContact C-N 3.3Å; G211-V213 PolarHBondContact O-N 2.92Å; G211-A214 PolarHBondContact O-N 2.86Å; G211-A215 WeakPolarHBondContact O-CB 3.03Å; G211-A215 PolarHBondContact O-N 2.93Å; G211-G225 VanDerWaalsContact O-CA 3.26Å; G211-G225 WeakPolarHBondContact O-CA 3.38Å; G211-T364 WeakPolarHBondContact CA-OG1 3.1Å; G211-T365 VanDerWaalsContact CA-OG1 3.22Å; G211-T365 WeakPolarHBondContact CA-OG1 3.49Å; G211-T365 PolarHBondContact N-OG1 3.32Å
212	E	98.9	Very high	97.8	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-64.8	-37.3	177	-64.9	-176.6	-95.5	0	0	112.1	R208 C209 G225 V226 I362 T364 H375 P383 L384	R208-E212 PolarHBondContact O-N 2.85Å; C209-E212 PolarHBondContact O-N 3.48Å; E212-G225 WeakPolarHBondContact O-CA 3.25Å; E212-V226 PolarHBondContact O-N 2.88Å; E212-I362 VanDerWaalsContact CD-CG2 3.49Å; E212-I362 HydrophobicContact CG-CG2 3.93Å; E212-I362 WeakPolarHBondContact OE2-CG2 3.23Å; E212-T364 HydrophobicContact CG-CG2 4.18Å; E212-T364 PolarHBondContact N-OG1 3.27Å; E212-H375 IonicContact OE1-CD2 3.79Å; E212-H375 PolarHBondContact OE1-CD2 3.45Å; E212-H375 IonicContact OE1-NE2 2.67Å; E212-H375 PolarHBondContact OE1-NE2 3.27Å; E212-P383 HydrophobicContact CB-CB 3.86Å; E212-L384 HydrophobicContact CB-CD2 3.99Å; E212-L384 HydrophobicContact CB-CG 4.48Å; E212-L384 HydrophobicContact CG-CD2 4.42Å; E212-L384 WeakPolarHBondContact OE2-CG 3.22Å
213	V	98.9	Very high	98	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-70.4	-57.2	172.9	-175.3	0	0	0	0	110.3	V160 I162 C209 A210 G211 G225 V226 A227 I232 P383 A386	V160-V213 HydrophobicContact CB-CG1 3.97Å; V160-V213 HydrophobicContact CG1-CG1 3.98Å; V160-V213 HydrophobicContact CG1-CG2 4.37Å; V160-V213 HydrophobicContact CG2-CG1 3.82Å; I162-V213 HydrophobicContact CD1-CG2 4.01Å; C209-V213 PolarHBondContact O-N 2.79Å; A210-V213 PolarHBondContact O-N 3.44Å; G211-V213 VanDerWaalsContact C-N 3.3Å; G211-V213 PolarHBondContact O-N 2.92Å; V213-G225 CarbonylContact O-C 3.53Å; V213-V226 PolarHBondContact O-N 3.45Å; V213-A227 CarbonylContact O-C 3.5Å; V213-A227 WeakPolarHBondContact O-CA 3.26Å; V213-A227 WeakPolarHBondContact O-CB 3.29Å; V213-A227 PolarHBondContact O-N 3.09Å; V213-I232 HydrophobicContact CB-CD1 4Å; V213-I232 HydrophobicContact CG1-CD1 4.05Å; V213-I232 HydrophobicContact CG2-CD1 4.39Å; V213-P383 HydrophobicContact CG2-CB 4.05Å; V213-P383 WeakPolarHBondContact CG2-O 3.35Å; V213-A386 HydrophobicContact CG2-CB 4.36Å
214	A	98.8	Very high	98.1	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-142.7	26.6	-157.4	0	0	0	0	0	115.8	N177 A210 G211 V216 I232	N177-A214 PolarHBondContact ND2-O 2.92Å; A210-A214 PolarHBondContact O-N 2.94Å; G211-A214 PolarHBondContact O-N 2.86Å; A214-V216 PolarHBondContact O-N 2.88Å; A214-I232 HydrophobicContact CB-CB 3.7Å; A214-I232 HydrophobicContact CB-CG1 4.2Å; A214-I232 HydrophobicContact CB-CG2 3.92Å
215	A	98.8	Very high	98.2	Very high	2 Å²	2	15.8 Å²	15.8	2%	0.017	10%	0.096	C	C	.	.	P	Polyproline II helix	trans	-54.9	139.7	166.5	0	0	0	0	0	111.3	D173 G211 A217 G225 Y228 T365	D173-A215 WeakPolarHBondContact O-CA 3.36Å; D173-A215 WeakPolarHBondContact OD2-CB 3.3Å; G211-A215 WeakPolarHBondContact O-CB 3.03Å; G211-A215 PolarHBondContact O-N 2.93Å; A215-A217 PolarHBondContact O-N 3.47Å; A215-G225 PolarHBondContact O-N 2.89Å; A215-Y228 WeakPolarHBondContact O-CB 3.28Å; A215-T365 HydrophobicContact CB-CG2 4.2Å
216	V	98.6	Very high	98.2	Very high	4 Å²	4	13.7 Å²	13.7	2%	0.024	9%	0.087	C	C	.	.	P	Polyproline II helix	trans	-80.6	117.8	-163.4	172	0	0	0	0	111.2	D173 Q176 N177 A214 N219	D173-V216 VanDerWaalsContact O-CG2 3.3Å; D173-V216 WeakPolarHBondContact O-CG2 3.34Å; D173-V216 PolarHBondContact O-N 3.48Å; D173-V216 PolarHBondContact OD1-N 3.32Å; Q176-V216 HydrophobicContact CB-CG1 4.5Å; Q176-V216 HydrophobicContact CB-CG2 3.9Å; N177-V216 HydrophobicContact CB-CG2 4.2Å; N177-V216 WeakPolarHBondContact ND2-CG2 3.47Å; A214-V216 PolarHBondContact O-N 2.88Å; V216-N219 HydrophobicContact CG1-CB 4.22Å; V216-N219 VanDerWaalsContact O-CG 3.25Å; V216-N219 PolarHBondContact O-ND2 3.46Å; V216-N219 VanDerWaalsContact O-ND2 3.17Å; V216-N219 PolarHBondContact O-OD1 2.89Å
217	A	97.4	Very high	98.2	Very high	18 Å²	18	13.7 Å²	13.7	15%	0.149	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	142.4	180	0	0	0	0	0	114.4	F124 A215 I224 Y228	F124-A217 HydrophobicContact CD1-CB 3.81Å; F124-A217 HydrophobicContact CE1-CB 3.71Å; A215-A217 PolarHBondContact O-N 3.47Å; A217-I224 HydrophobicContact CB-CB 4.2Å; A217-I224 HydrophobicContact CB-CG2 3.76Å; A217-Y228 HydrophobicContact CB-CD1 4.04Å; A217-Y228 HydrophobicContact CB-CD2 3.46Å; A217-Y228 VanDerWaalsContact CB-CD2 3.46Å; A217-Y228 HydrophobicContact CB-CE1 4.47Å; A217-Y228 HydrophobicContact CB-CE2 3.96Å; A217-Y228 HydrophobicContact CB-CG 3.49Å; A217-Y228 VanDerWaalsContact CB-CG 3.49Å
218	N	96.1	Very high	98.2	Very high	81 Å²	81	15.1 Å²	15.1	43%	0.433	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	33.4	177.1	-52.7	-86.1	0	0	0	115.5	F124 V125 D126	F124-N218 WeakPolarHBondContact CD1-ND2 3.48Å; V125-N218 HydrophobicContact CG2-CB 3.95Å; D126-N218 VanDerWaalsContact CG-N 3.28Å; D126-N218 WeakPolarHBondContact OD1-CA 3.18Å; D126-N218 PolarHBondContact OD1-N 2.85Å; D126-N218 VanDerWaalsContact OD1-N 3.09Å; D126-N218 WeakPolarHBondContact OD2-CA 3.49Å; D126-N218 PolarHBondContact OD2-N 2.88Å
219	N	96.6	Very high	98.2	Very high	57 Å²	57	17.1 Å²	17.1	31%	0.305	11%	0.105	S	C	.	.	S	Bend	trans	-97.3	-13.5	172.9	66.2	10	0	0	0	113.1	D126 D173 V216 V221	D126-N219 PolarHBondContact OD1-N 3.35Å; D126-N219 PolarHBondContact OD1-OD1 3.5Å; D173-N219 PolarHBondContact OD1-ND2 3.38Å; V216-N219 HydrophobicContact CG1-CB 4.22Å; V216-N219 VanDerWaalsContact O-CG 3.25Å; V216-N219 PolarHBondContact O-ND2 3.46Å; V216-N219 VanDerWaalsContact O-ND2 3.17Å; V216-N219 PolarHBondContact O-OD1 2.89Å; N219-V221 WeakPolarHBondContact OD1-CA 3.36Å; N219-V221 VanDerWaalsContact OD1-CB 3.32Å; N219-V221 WeakPolarHBondContact OD1-CB 3.33Å; N219-V221 PolarHBondContact OD1-N 2.85Å; N219-V221 PolarHBondContact OD1-O 2.98Å
220	G	96.4	Very high	98.2	Very high	42 Å²	42	17 Å²	17	43%	0.433	10%	0.104	S	C	.	.	S	Bend	trans	80.3	17.1	-176.5	0	0	0	0	0	114.5	D126 P127	D126-G220 PolarHBondContact OD1-N 2.96Å; P127-G220 WeakPolarHBondContact CD-O 3.43Å
221	V	97.9	Very high	98.2	Very high	46 Å²	46	20.7 Å²	20.7	28%	0.279	12%	0.12	S	C	.	.	S	Bend	trans	-113.8	145.2	179.2	-173.7	0	0	0	0	108.6	P172 D173 N219 G223	P172-V221 HydrophobicContact CB-CG1 4.39Å; P172-V221 HydrophobicContact CB-CG2 4.43Å; P172-V221 HydrophobicContact CG-CG1 4.06Å; D173-V221 HydrophobicContact CB-CB 4.33Å; D173-V221 HydrophobicContact CB-CG1 3.9Å; N219-V221 WeakPolarHBondContact OD1-CA 3.36Å; N219-V221 VanDerWaalsContact OD1-CB 3.32Å; N219-V221 WeakPolarHBondContact OD1-CB 3.33Å; N219-V221 PolarHBondContact OD1-N 2.85Å; N219-V221 PolarHBondContact OD1-O 2.98Å; V221-G223 PolarHBondContact O-N 3.39Å
222	C	98.1	Very high	98.2	Very high	8 Å²	8	20.7 Å²	20.7	5%	0.054	12%	0.12	C	C	.	.	S	Bend	trans	33	-114.4	174.9	-165.9	0	0	0	0	115	P127 K128 D173 T364 C371	P127-C222 VanDerWaalsContact CD-O 3.31Å; P127-C222 WeakPolarHBondContact CD-O 3.44Å; P127-C222 WeakPolarHBondContact CG-O 3.44Å; K128-C222 WeakPolarHBondContact CA-O 3.31Å; K128-C222 WeakPolarHBondContact CB-O 3.47Å; K128-C222 PolarHBondContact N-O 3.39Å; D173-C222 WeakPolarHBondContact OD2-CB 3.31Å; C222-T364 VanDerWaalsContact SG-C 3.56Å; C222-T364 PolarHBondContact SG-O 3.4Å; C222-T364 VanDerWaalsContact SG-O 3.33Å; C222-C371 WeakPolarHBondContact CA-SG 3.37Å; C222-C371 HydrophobicContact CB-CB 3.57Å; C222-C371 WeakPolarHBondContact CB-SG 3.42Å; C222-C371 WeakPolarHBondContact SG-CB 3.44Å; C222-C371 CovalentContact SG-SG 2.04Å; C222-C371 PolarHBondContact SG-SG 2.98Å
223	G	97.6	Very high	98.2	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.01	12%	0.12	C	C	.	.			trans	-128.8	-145.7	-177.7	0	0	0	0	0	110.8	V221	V221-G223 PolarHBondContact O-N 3.39Å
224	I	98.3	Very high	98.2	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.005	12%	0.12	C	C	.	.			trans	-135.7	153.9	173.2	72.1	-175.6	0	0	0	111.1	F124 D126 F129 Q132 L135 W149 A217 Y228	F124-I224 HydrophobicContact CB-CG2 4.45Å; F124-I224 HydrophobicContact CD1-CD1 3.84Å; F124-I224 HydrophobicContact CD1-CG2 4.19Å; F124-I224 HydrophobicContact CD2-CD1 3.62Å; F124-I224 HydrophobicContact CE1-CD1 3.84Å; F124-I224 HydrophobicContact CE2-CD1 3.61Å; F124-I224 HydrophobicContact CG-CD1 3.74Å; F124-I224 HydrophobicContact CG-CG2 4.4Å; F124-I224 HydrophobicContact CZ-CD1 3.72Å; D126-I224 HydrophobicContact CB-CG2 4.09Å; D126-I224 WeakPolarHBondContact OD2-CG2 3.3Å; F129-I224 HydrophobicContact CD2-CD1 3.48Å; F129-I224 VanDerWaalsContact CD2-CD1 3.48Å; F129-I224 HydrophobicContact CD2-CG1 3.8Å; F129-I224 HydrophobicContact CE2-CD1 3.6Å; F129-I224 HydrophobicContact CE2-CG1 4.24Å; F129-I224 HydrophobicContact CG-CD1 4.38Å; Q132-I224 PolarHBondContact NE2-O 2.9Å; Q132-I224 PolarHBondContact OE1-O 3.34Å; L135-I224 HydrophobicContact CD1-CG1 3.89Å; W149-I224 HydrophobicContact CH2-CD1 3.49Å; W149-I224 VanDerWaalsContact CH2-CD1 3.49Å; W149-I224 HydrophobicContact CH2-CG1 4.14Å; W149-I224 HydrophobicContact CZ2-CD1 4.09Å; W149-I224 HydrophobicContact CZ3-CD1 3.78Å; A217-I224 HydrophobicContact CB-CB 4.2Å; A217-I224 HydrophobicContact CB-CG2 3.76Å; I224-Y228 HydrophobicContact CD1-CD1 4.35Å
225	G	98.7	Very high	98.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.12	C	C	.	.			trans	-78.3	157.7	170.7	0	0	0	0	0	112	G211 E212 V213 A215 A227 Y228	G211-G225 VanDerWaalsContact O-CA 3.26Å; G211-G225 WeakPolarHBondContact O-CA 3.38Å; E212-G225 WeakPolarHBondContact O-CA 3.25Å; V213-G225 CarbonylContact O-C 3.53Å; A215-G225 PolarHBondContact O-N 2.89Å; G225-A227 PolarHBondContact O-N 3.49Å; G225-Y228 PolarHBondContact O-N 3.24Å
226	V	98.8	Very high	98.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-39.6	171.8	176.5	0	0	0	0	110.8	L135 W149 E212 V213 L384 G387 I388 L391	L135-V226 HydrophobicContact CD2-CG2 3.56Å; W149-V226 PolarHBondContact NE1-O 3.06Å; E212-V226 PolarHBondContact O-N 2.88Å; V213-V226 PolarHBondContact O-N 3.45Å; V226-L384 HydrophobicContact CG2-CD2 3.74Å; V226-G387 VanDerWaalsContact CG1-C 3.46Å; V226-I388 HydrophobicContact CG1-CG1 3.88Å; V226-L391 HydrophobicContact CG1-CD1 4.01Å; V226-L391 HydrophobicContact CG1-CG 4.41Å
227	A	98.8	Very high	98.1	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.2	56.8	-178.7	0	0	0	0	0	110.3	T154 V213 G225 N229 A230 A390 L391	T154-A227 CarbonylContact O-C 3.53Å; T154-A227 VanDerWaalsContact O-CA 3.3Å; T154-A227 WeakPolarHBondContact O-CA 3.37Å; V213-A227 CarbonylContact O-C 3.5Å; V213-A227 WeakPolarHBondContact O-CA 3.26Å; V213-A227 WeakPolarHBondContact O-CB 3.29Å; V213-A227 PolarHBondContact O-N 3.09Å; G225-A227 PolarHBondContact O-N 3.49Å; A227-N229 PolarHBondContact O-N 2.93Å; A227-A230 HydrophobicContact CB-CB 3.93Å; A227-A230 VanDerWaalsContact O-CB 3.26Å; A227-A230 WeakPolarHBondContact O-CB 3.47Å; A227-A230 PolarHBondContact O-N 2.86Å; A227-A390 HydrophobicContact CB-CB 3.84Å; A227-L391 HydrophobicContact CB-CD2 4.11Å
228	Y	98.8	Very high	98	Very high	31 Å²	31	23 Å²	23	12%	0.122	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-2.1	-173.3	61.2	-106.4	0	0	0	117.3	F124 W149 T154 N177 A215 A217 I224 G225	F124-Y228 HydrophobicContact CE1-CD1 4.46Å; F124-Y228 AromaticContact CE1-CE1 3.87Å; F124-Y228 HydrophobicContact CE1-CE1 3.87Å; F124-Y228 AromaticContact CE1-CZ 3.9Å; F124-Y228 AromaticContact CZ-CE1 3.69Å; F124-Y228 HydrophobicContact CZ-CE1 3.69Å; F124-Y228 AromaticContact CZ-CZ 3.95Å; W149-Y228 AromaticContact CD1-CE1 3.73Å; W149-Y228 AromaticContact CD2-CE1 3.79Å; W149-Y228 HydrophobicContact CD2-CE1 3.79Å; W149-Y228 AromaticContact CE2-CE1 3.69Å; W149-Y228 HydrophobicContact CE3-CE1 4.44Å; W149-Y228 AromaticContact CG-CE1 3.84Å; W149-Y228 HydrophobicContact CG-CE1 3.84Å; W149-Y228 HydrophobicContact CZ2-CD1 4.29Å; W149-Y228 HydrophobicContact CZ2-CE1 4.3Å; W149-Y228 AromaticContact NE1-CD1 3.97Å; W149-Y228 AromaticContact NE1-CE1 3.63Å; T154-Y228 HydrophobicContact CG2-CE1 4.22Å; T154-Y228 HydrophobicContact CG2-CE2 3.72Å; T154-Y228 VanDerWaalsContact CG2-CZ 3.45Å; T154-Y228 WeakPolarHBondContact CG2-OH 3.38Å; T154-Y228 PolarHBondContact O-N 3.13Å; N177-Y228 PolarHBondContact ND2-O 2.66Å; A215-Y228 WeakPolarHBondContact O-CB 3.28Å; A217-Y228 HydrophobicContact CB-CD1 4.04Å; A217-Y228 HydrophobicContact CB-CD2 3.46Å; A217-Y228 VanDerWaalsContact CB-CD2 3.46Å; A217-Y228 HydrophobicContact CB-CE1 4.47Å; A217-Y228 HydrophobicContact CB-CE2 3.96Å; A217-Y228 HydrophobicContact CB-CG 3.49Å; A217-Y228 VanDerWaalsContact CB-CG 3.49Å; I224-Y228 HydrophobicContact CD1-CD1 4.35Å; G225-Y228 PolarHBondContact O-N 3.24Å
229	N	98.8	Very high	97.9	Very high	65 Å²	65	20.2 Å²	20.2	35%	0.348	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.6	5	169.7	-76	-39.8	0	0	0	113.3	T154 K156 A227	T154-N229 WeakPolarHBondContact CB-ND2 3.45Å; T154-N229 PolarHBondContact O-N 3.35Å; T154-N229 WeakPolarHBondContact OG1-CB 3.39Å; T154-N229 PolarHBondContact OG1-ND2 3.18Å; K156-N229 WeakPolarHBondContact CA-O 3.34Å; K156-N229 HydrophobicContact CB-CB 4.14Å; A227-N229 PolarHBondContact O-N 2.93Å
230	A	98.9	Very high	97.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-68.8	159.1	169.2	0	0	0	0	0	111	G155 N177 A227	G155-A230 WeakPolarHBondContact O-CA 3.32Å; G155-A230 WeakPolarHBondContact O-CB 3.2Å; N177-A230 WeakPolarHBondContact CB-O 3.31Å; A227-A230 HydrophobicContact CB-CB 3.93Å; A227-A230 VanDerWaalsContact O-CB 3.26Å; A227-A230 WeakPolarHBondContact O-CB 3.47Å; A227-A230 PolarHBondContact O-N 2.86Å
231	K	98.9	Very high	97.3	Very high	77 Å²	77	26 Å²	26	34%	0.335	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	138.8	165.7	-77.8	-53.1	-160.3	168.5	0	109.9	V158 V159 V160 Q176 N177 Y178 D179	V158-K231 PolarHBondContact O-N 3.05Å; V159-K231 HydrophobicContact CB-CB 4.48Å; V159-K231 HydrophobicContact CG1-CB 4.43Å; V159-K231 HydrophobicContact CG2-CB 4.13Å; V160-K231 PolarHBondContact N-O 2.73Å; Q176-K231 PolarHBondContact O-NZ 3.05Å; N177-K231 WeakPolarHBondContact O-CA 3.36Å; N177-K231 WeakPolarHBondContact O-CD 3.42Å; Y178-K231 PolarHBondContact O-NZ 3.24Å; D179-K231 HydrophobicContact CB-CB 3.99Å; D179-K231 HydrophobicContact CB-CD 4.26Å; D179-K231 HydrophobicContact CB-CG 4.41Å
232	I	98.9	Very high	96.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	125.4	-175.6	-167.8	64.5	0	0	0	110.3	V160 I162 I167 N177 Y178 D179 A210 V213 A214	V160-I232 HydrophobicContact CB-CD1 3.91Å; V160-I232 HydrophobicContact CG1-CD1 4.13Å; V160-I232 CarbonylContact O-C 3.53Å; V160-I232 WeakPolarHBondContact O-CA 3.47Å; I162-I232 HydrophobicContact CD1-CD1 4.08Å; I162-I232 HydrophobicContact CG1-CD1 3.92Å; I167-I232 HydrophobicContact CD1-CG1 4.21Å; N177-I232 HydrophobicContact CB-CG2 4.03Å; N177-I232 PolarHBondContact O-N 3.29Å; Y178-I232 CarbonylContact C-O 3.54Å; Y178-I232 VanDerWaalsContact CA-O 3.26Å; Y178-I232 WeakPolarHBondContact CA-O 3.44Å; D179-I232 PolarHBondContact N-O 3.16Å; A210-I232 HydrophobicContact CB-CG1 3.94Å; V213-I232 HydrophobicContact CB-CD1 4Å; V213-I232 HydrophobicContact CG1-CD1 4.05Å; V213-I232 HydrophobicContact CG2-CD1 4.39Å; A214-I232 HydrophobicContact CB-CB 3.7Å; A214-I232 HydrophobicContact CB-CG1 4.2Å; A214-I232 HydrophobicContact CB-CG2 3.92Å
233	G	98.8	Very high	96.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	-178.1	168	0	0	0	0	0	111.5	V160 I162 A182 S183	V160-G233 PolarHBondContact O-N 3.47Å; I162-G233 PolarHBondContact N-O 2.88Å; I162-G233 VanDerWaalsContact N-O 3.1Å; A182-G233 WeakPolarHBondContact O-CA 3.5Å; S183-G233 WeakPolarHBondContact OG-CA 3.15Å
234	G	98.6	Very high	96.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	145.8	173.8	0	0	0	0	0	111	I162 S183 Y184 P193	I162-G234 CarbonylContact O-C 3.59Å; I162-G234 VanDerWaalsContact O-CA 3.28Å; I162-G234 WeakPolarHBondContact O-CA 3.2Å; S183-G234 VanDerWaalsContact CA-O 3.22Å; S183-G234 WeakPolarHBondContact CA-O 3.26Å; S183-G234 WeakPolarHBondContact CB-O 3.41Å; S183-G234 PolarHBondContact OG-N 2.59Å; S183-G234 VanDerWaalsContact OG-N 3.13Å; Y184-G234 PolarHBondContact N-O 3.38Å; P193-G234 WeakPolarHBondContact CB-O 3.48Å
235	V	98.8	Very high	95.7	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	115.5	172.8	-174.2	0	0	0	0	108.1	I162 L163 D164 Y184 V186 M237 L253	I162-V235 PolarHBondContact O-N 3.19Å; L163-V235 HydrophobicContact CD2-CB 3.58Å; L163-V235 HydrophobicContact CD2-CG1 4.4Å; L163-V235 HydrophobicContact CD2-CG2 3.37Å; D164-V235 PolarHBondContact N-O 3.09Å; D164-V235 VanDerWaalsContact O-O 3.06Å; Y184-V235 CarbonylContact O-C 3.55Å; Y184-V235 WeakPolarHBondContact O-CA 3.34Å; V186-V235 HydrophobicContact CG2-CG1 3.59Å; V235-M237 HydrophobicContact CG1-CB 4.25Å; V235-M237 HydrophobicContact CG1-CG 4.13Å; V235-M237 PolarHBondContact O-N 3.17Å; V235-L253 HydrophobicContact CG2-CD2 3.4Å
236	R	98.6	Very high	95.2	Very high	13 Å²	13	36.6 Å²	36.6	5%	0.049	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	107.3	171.2	173.9	156.2	165.5	-96.5	-7.9	107.7	D165 Y184 D185 V186 N187 D188 P193 D239	D165-R236 WeakPolarHBondContact O-CD 3.39Å; Y184-R236 PolarHBondContact O-N 2.97Å; D185-R236 HydrophobicContact CB-CB 4.46Å; D185-R236 IonicContact OD1-NH1 3.74Å; D185-R236 WeakPolarHBondContact OD2-CB 3.33Å; D185-R236 WeakPolarHBondContact OD2-CD 3.49Å; D185-R236 VanDerWaalsContact OD2-CG 3.31Å; D185-R236 WeakPolarHBondContact OD2-CG 3.39Å; D185-R236 IonicContact OD2-CZ 3.94Å; D185-R236 IonicContact OD2-NE 3.74Å; D185-R236 IonicContact OD2-NH1 3.83Å; D185-R236 PolarHBondContact OD2-NH1 3.34Å; V186-R236 PolarHBondContact N-O 3.39Å; N187-R236 PolarHBondContact N-O 2.89Å; N187-R236 VanDerWaalsContact OD1-C 3.3Å; N187-R236 WeakPolarHBondContact OD1-CG 3.49Å; N187-R236 PolarHBondContact OD1-O 2.91Å; D188-R236 IonicContact OD2-CZ 3.8Å; D188-R236 IonicContact OD2-NH1 3.17Å; D188-R236 PolarHBondContact OD2-NH1 3.33Å; D188-R236 IonicContact OD2-NH2 2.91Å; D188-R236 PolarHBondContact OD2-NH2 2.91Å; P193-R236 HydrophobicContact CB-CB 4.34Å; R236-D239 HydrophobicContact CG-CB 4.35Å; R236-D239 IonicContact CZ-OD2 2.8Å; R236-D239 IonicContact NE-OD2 3.53Å; R236-D239 PolarHBondContact NE-OD2 2.94Å; R236-D239 VanDerWaalsContact NE-OD2 3.15Å; R236-D239 IonicContact NH2-OD2 3.56Å; R236-D239 PolarHBondContact NH2-OD2 3.44Å
237	M	97.3	Very high	95	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.201	C	C	.	.			trans	-138.9	-17	-177.8	54.4	79.5	59.5	0	0	114	D164 V186 N187 V235 V242 V246 E247 S250 W265	D164-M237 PolarHBondContact O-N 2.88Å; V186-M237 HydrophobicContact CB-CB 4.24Å; N187-M237 PolarHBondContact ND2-O 3.46Å; N187-M237 WeakPolarHBondContact OD1-CA 3.42Å; N187-M237 PolarHBondContact OD1-N 3.12Å; N187-M237 PolarHBondContact OD1-O 3.44Å; V235-M237 HydrophobicContact CG1-CB 4.25Å; V235-M237 HydrophobicContact CG1-CG 4.13Å; V235-M237 PolarHBondContact O-N 3.17Å; M237-V242 HydrophobicContact CE-CG1 4.16Å; M237-V246 HydrophobicContact CB-CG1 3.88Å; M237-V246 HydrophobicContact CE-CG1 4.33Å; M237-E247 HydrophobicContact CE-CG 4.4Å; M237-S250 WeakPolarHBondContact CB-OG 3.35Å; M237-S250 WeakPolarHBondContact CG-OG 3.44Å; M237-W265 HydrophobicContact CE-CD2 4.32Å; M237-W265 HydrophobicContact CE-CH2 4.17Å; M237-W265 HydrophobicContact CE-CZ2 3.76Å; M237-W265 HydrophobicContact SD-CZ2 4.31Å
238	L	95.1	Very high	94.7	Very high	59 Å²	59	38.1 Å²	38.1	31%	0.309	21%	0.206	S	C	.	.	S	Bend	trans	-90	-10.6	177.6	-60.4	-177.5	0	0	0	115.4	D164 D165 G240 V242 W265	D164-L238 PolarHBondContact O-N 3.24Å; D165-L238 HydrophobicContact CB-CB 4.49Å; L238-G240 PolarHBondContact O-N 3.19Å; L238-G240 VanDerWaalsContact O-N 3.09Å; L238-V242 HydrophobicContact CD2-CG2 4.01Å; L238-W265 HydrophobicContact CD1-CB 4.19Å; L238-W265 HydrophobicContact CD1-CG 4.36Å; L238-W265 HydrophobicContact CD2-CB 4.02Å; L238-W265 HydrophobicContact CD2-CG 3.97Å
239	D	93.8	Very high	94.5	Very high	23 Å²	23	41.3 Å²	41.3	12%	0.123	22%	0.221	C	C	.	.	S	Bend	trans	-88.3	45.2	-178	-173.3	40.5	0	0	0	112	N187 R196 N203 R236	N187-D239 PolarHBondContact OD1-N 3.21Å; N187-D239 VanDerWaalsContact OD1-N 3.08Å; R196-D239 VanDerWaalsContact CB-OD2 3.27Å; R196-D239 WeakPolarHBondContact CB-OD2 3.45Å; R196-D239 IonicContact CZ-OD1 3.61Å; R196-D239 IonicContact CZ-OD2 3.93Å; R196-D239 IonicContact NE-OD1 2.76Å; R196-D239 PolarHBondContact NE-OD1 3.47Å; R196-D239 IonicContact NE-OD2 3.62Å; R196-D239 PolarHBondContact NE-OD2 2.93Å; R196-D239 IonicContact NH2-OD1 3.63Å; R196-D239 PolarHBondContact NH2-OD1 2.71Å; R196-D239 IonicContact NH2-OD2 2.77Å; N203-D239 PolarHBondContact ND2-OD1 2.69Å; N203-D239 PolarHBondContact ND2-OD2 2.9Å; N203-D239 VanDerWaalsContact ND2-OD2 3.17Å; N203-D239 PolarHBondContact OD1-OD1 2.77Å; R236-D239 HydrophobicContact CG-CB 4.35Å; R236-D239 IonicContact CZ-OD2 2.8Å; R236-D239 IonicContact NE-OD2 3.53Å; R236-D239 PolarHBondContact NE-OD2 2.94Å; R236-D239 VanDerWaalsContact NE-OD2 3.15Å; R236-D239 IonicContact NH2-OD2 3.56Å; R236-D239 PolarHBondContact NH2-OD2 3.44Å
240	G	90.2	Very high	94.5	Very high	45 Å²	45	38.2 Å²	38.2	46%	0.464	21%	0.205	S	C	.	.	S	Bend	trans	178.5	-166.2	-174.6	0	0	0	0	0	113	L238 V242	L238-G240 PolarHBondContact O-N 3.19Å; L238-G240 VanDerWaalsContact O-N 3.09Å; G240-V242 PolarHBondContact O-N 3.22Å
241	E	88.8	Confident	94.4	Very high	176 Å²	176	38.2 Å²	38.2	82%	0.822	21%	0.205	S	C	*	.			trans	-72.5	114.6	174	-67.6	-173.7	165.1	0	0	110.7
242	V	91.4	Very high	94.3	Very high	61 Å²	61	37.3 Å²	37.3	37%	0.37	21%	0.208	S	C	.	.			trans	-84.1	127.6	175.1	-173.2	0	0	0	0	109.3	M237 L238 G240 E247	M237-V242 HydrophobicContact CE-CG1 4.16Å; L238-V242 HydrophobicContact CD2-CG2 4.01Å; G240-V242 PolarHBondContact O-N 3.22Å; V242-E247 HydrophobicContact CG1-CG 3.79Å
243	T	90.6	Very high	94.3	Very high	62 Å²	62	38.3 Å²	38.3	38%	0.38	21%	0.213	S	C	.	.			trans	-135.7	161.9	179.7	65.6	0	0	0	0	110.4	M245 V246 E247	T243-M245 PolarHBondContact O-N 2.74Å; T243-V246 WeakPolarHBondContact O-CA 3.42Å; T243-V246 WeakPolarHBondContact O-CB 3.44Å; T243-V246 PolarHBondContact O-N 3.1Å; T243-V246 WeakPolarHBondContact OG1-CG2 3.48Å; T243-V246 PolarHBondContact OG1-N 3.21Å; T243-E247 PolarHBondContact O-N 3.23Å
244	D	88.4	Confident	94.2	Very high	41 Å²	41	41.9 Å²	41.9	22%	0.219	23%	0.233	C	C	.	.	H	α-helix	trans	-49.5	-32.8	175.4	-171.2	28.1	0	0	0	112.7	A248 A278 K279 L280 A281	D244-A248 WeakPolarHBondContact O-CB 3.28Å; D244-A248 PolarHBondContact O-N 3.32Å; D244-A278 HydrophobicContact CB-CB 3.75Å; D244-A278 VanDerWaalsContact OD1-C 3.25Å; D244-A278 WeakPolarHBondContact OD1-CB 3.48Å; D244-K279 PolarHBondContact OD1-N 3.38Å; D244-K279 PolarHBondContact OD2-N 3.43Å; D244-L280 VanDerWaalsContact CG-N 3.33Å; D244-L280 WeakPolarHBondContact OD1-CA 3.3Å; D244-L280 WeakPolarHBondContact OD1-CB 3.35Å; D244-L280 PolarHBondContact OD1-N 3Å; D244-L280 WeakPolarHBondContact OD2-CG 3.5Å; D244-L280 PolarHBondContact OD2-N 3.39Å; D244-A281 PolarHBondContact OD1-N 2.7Å
245	M	88.1	Confident	94.2	Very high	104 Å²	104	43.6 Å²	43.6	51%	0.512	24%	0.244	S	C	.	.	H	α-helix	trans	-71.4	-46.3	174.8	-175.2	-175.2	73.8	0	0	112.5	T243 E247 A248 Q249 L280	T243-M245 PolarHBondContact O-N 2.74Å; M245-E247 VanDerWaalsContact C-N 3.35Å; M245-A248 PolarHBondContact O-N 2.84Å; M245-Q249 HydrophobicContact CG-CG 4.48Å; M245-Q249 WeakPolarHBondContact O-CB 3.5Å; M245-Q249 WeakPolarHBondContact O-CG 3.4Å; M245-Q249 PolarHBondContact O-N 3.39Å; M245-L280 HydrophobicContact CB-CD1 4.33Å
246	V	88.8	Confident	94.2	Very high	11 Å²	11	49.1 Å²	49.1	7%	0.067	27%	0.269	C	S	.	.	H	α-helix	trans	-61.4	-45.1	179.3	167.6	0	0	0	0	110.3	V186 M237 T243 S250	V186-V246 HydrophobicContact CB-CG1 4.46Å; V186-V246 HydrophobicContact CG1-CB 4.13Å; V186-V246 HydrophobicContact CG1-CG1 3.82Å; V186-V246 HydrophobicContact CG1-CG2 4.1Å; M237-V246 HydrophobicContact CB-CG1 3.88Å; M237-V246 HydrophobicContact CE-CG1 4.33Å; T243-V246 WeakPolarHBondContact O-CA 3.42Å; T243-V246 WeakPolarHBondContact O-CB 3.44Å; T243-V246 PolarHBondContact O-N 3.1Å; T243-V246 WeakPolarHBondContact OG1-CG2 3.48Å; T243-V246 PolarHBondContact OG1-N 3.21Å; V246-S250 WeakPolarHBondContact O-CB 3.49Å; V246-S250 PolarHBondContact O-N 3.47Å; V246-S250 PolarHBondContact O-OG 3.05Å
247	E	94.3	Very high	94.2	Very high	20 Å²	20	51.4 Å²	51.4	9%	0.093	28%	0.281	C	S	.	.	H	α-helix	trans	-61.9	-49.8	174.7	-67.3	174.8	-157.7	0	0	111.8	M237 V242 T243 M245 Q249 S250 L251 W265 A281 Y319	M237-E247 HydrophobicContact CE-CG 4.4Å; V242-E247 HydrophobicContact CG1-CG 3.79Å; T243-E247 PolarHBondContact O-N 3.23Å; M245-E247 VanDerWaalsContact C-N 3.35Å; E247-Q249 VanDerWaalsContact C-N 3.35Å; E247-Q249 PolarHBondContact O-N 2.89Å; E247-S250 PolarHBondContact O-N 3.11Å; E247-L251 WeakPolarHBondContact O-CB 3.29Å; E247-L251 VanDerWaalsContact O-CG 3.29Å; E247-L251 WeakPolarHBondContact O-CG 3.03Å; E247-L251 PolarHBondContact O-N 2.91Å; E247-W265 HydrophobicContact CB-CH2 4.16Å; E247-W265 HydrophobicContact CG-CH2 3.87Å; E247-W265 HydrophobicContact CG-CZ3 3.83Å; E247-A281 HydrophobicContact CB-CB 4.09Å; E247-A281 WeakPolarHBondContact OE2-CB 3.28Å; E247-Y319 PolarHBondContact OE1-OH 3.39Å; E247-Y319 VanDerWaalsContact OE2-CE1 3.3Å; E247-Y319 WeakPolarHBondContact OE2-CE1 3.43Å; E247-Y319 VanDerWaalsContact OE2-CZ 3.31Å; E247-Y319 PolarHBondContact OE2-OH 3.18Å
248	A	93.2	Very high	94.3	Very high	12 Å²	12	51.4 Å²	51.4	10%	0.099	28%	0.281	C	S	.	.	H	α-helix	trans	-62.4	-40.3	-179.5	0	0	0	0	0	112.7	D244 M245 S252 L280 A284	D244-A248 WeakPolarHBondContact O-CB 3.28Å; D244-A248 PolarHBondContact O-N 3.32Å; M245-A248 PolarHBondContact O-N 2.84Å; A248-S252 VanDerWaalsContact O-CB 3.3Å; A248-S252 WeakPolarHBondContact O-CB 3.04Å; A248-S252 PolarHBondContact O-N 2.78Å; A248-S252 PolarHBondContact O-OG 2.69Å; A248-L280 HydrophobicContact CB-CB 3.5Å; A248-A284 HydrophobicContact CB-CB 4.11Å
249	Q	94.6	Very high	94.4	Very high	97 Å²	97	49.3 Å²	49.3	45%	0.453	27%	0.27	S	S	.	.	H	α-helix	trans	-63.2	-44	174.1	-76.2	177	-36	0	0	111.2	V186 M245 E247 S252 L253	V186-Q249 HydrophobicContact CG1-CB 4.31Å; M245-Q249 HydrophobicContact CG-CG 4.48Å; M245-Q249 WeakPolarHBondContact O-CB 3.5Å; M245-Q249 WeakPolarHBondContact O-CG 3.4Å; M245-Q249 PolarHBondContact O-N 3.39Å; E247-Q249 VanDerWaalsContact C-N 3.35Å; E247-Q249 PolarHBondContact O-N 2.89Å; Q249-S252 CarbonylContact O-C 3.59Å; Q249-S252 PolarHBondContact O-N 2.95Å; Q249-L253 PolarHBondContact O-N 2.88Å
250	S	97.5	Very high	94.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63.5	-46.7	178.5	-56.2	0	0	0	0	112.1	M237 V246 E247 S252 L253	M237-S250 WeakPolarHBondContact CB-OG 3.35Å; M237-S250 WeakPolarHBondContact CG-OG 3.44Å; V246-S250 WeakPolarHBondContact O-CB 3.49Å; V246-S250 PolarHBondContact O-N 3.47Å; V246-S250 PolarHBondContact O-OG 3.05Å; E247-S250 PolarHBondContact O-N 3.11Å; S250-S252 VanDerWaalsContact C-N 3.27Å; S250-S252 PolarHBondContact O-N 2.82Å; S250-L253 PolarHBondContact O-N 3.43Å
251	L	97.3	Very high	95.1	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-68.3	-21.4	178.4	-72.2	169	0	0	0	113.9	L163 E247 A281 A284 F285 F300 W302	L163-L251 HydrophobicContact CD1-CD2 3.88Å; L163-L251 HydrophobicContact CD1-CG 4.45Å; E247-L251 WeakPolarHBondContact O-CB 3.29Å; E247-L251 VanDerWaalsContact O-CG 3.29Å; E247-L251 WeakPolarHBondContact O-CG 3.03Å; E247-L251 PolarHBondContact O-N 2.91Å; L251-A281 HydrophobicContact CD1-CB 4.17Å; L251-A284 HydrophobicContact CB-CB 3.84Å; L251-A284 HydrophobicContact CD1-CB 4.45Å; L251-F285 HydrophobicContact CD1-CD1 4.49Å; L251-F285 HydrophobicContact CD1-CD2 4.07Å; L251-F285 HydrophobicContact CD1-CE1 4.19Å; L251-F285 HydrophobicContact CD1-CE2 3.73Å; L251-F285 HydrophobicContact CD1-CG 4.43Å; L251-F285 HydrophobicContact CD1-CZ 3.81Å; L251-F285 HydrophobicContact CD2-CD1 4.23Å; L251-F285 HydrophobicContact CD2-CE1 3.63Å; L251-F285 HydrophobicContact CD2-CZ 3.83Å; L251-F300 HydrophobicContact CB-CE1 4.4Å; L251-F300 HydrophobicContact CD2-CD1 3.78Å; L251-F300 HydrophobicContact CD2-CE1 3.7Å; L251-W302 HydrophobicContact CD2-CH2 3.96Å; L251-W302 HydrophobicContact CD2-CZ3 3.94Å
252	S	97.8	Very high	95.6	Very high	58 Å²	58	37.8 Å²	37.8	41%	0.406	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112	13.6	-179.3	66.5	0	0	0	0	114.3	A248 Q249 S250 N254 P255	A248-S252 VanDerWaalsContact O-CB 3.3Å; A248-S252 WeakPolarHBondContact O-CB 3.04Å; A248-S252 PolarHBondContact O-N 2.78Å; A248-S252 PolarHBondContact O-OG 2.69Å; Q249-S252 CarbonylContact O-C 3.59Å; Q249-S252 PolarHBondContact O-N 2.95Å; S250-S252 VanDerWaalsContact C-N 3.27Å; S250-S252 PolarHBondContact O-N 2.82Å; S252-N254 PolarHBondContact O-N 3.35Å; S252-P255 WeakPolarHBondContact O-CD 3.47Å
253	L	98	Very high	95.9	Very high	21 Å²	21	35 Å²	35	11%	0.11	19%	0.187	C	C	.	.	S	Bend	trans	-62.9	122.7	172.2	178.9	66	0	0	0	109.9	Y184 V235 Q249 S250 P255 I258 Y261	Y184-L253 HydrophobicContact CG-CD1 4.38Å; V235-L253 HydrophobicContact CG2-CD2 3.4Å; Q249-L253 PolarHBondContact O-N 2.88Å; S250-L253 PolarHBondContact O-N 3.43Å; L253-P255 VanDerWaalsContact O-N 3.16Å; L253-I258 HydrophobicContact CB-CD1 4.44Å; L253-I258 HydrophobicContact CD2-CD1 4.12Å; L253-I258 HydrophobicContact CG-CD1 4.1Å; L253-I258 WeakPolarHBondContact O-CD1 3.47Å; L253-Y261 PolarHBondContact O-OH 3.27Å
254	N	98.2	Very high	96.1	Very high	76 Å²	76	33.2 Å²	33.2	41%	0.406	18%	0.177	S	C	.	.	S	Bend	trans	39.4	54	168.6	-58.9	-18.9	0	0	0	116.2	E181 S252 Q256 H257 I258	E181-N254 PolarHBondContact O-ND2 2.69Å; S252-N254 PolarHBondContact O-N 3.35Å; N254-Q256 PolarHBondContact O-N 3.44Å; N254-H257 HydrophobicContact CB-CB 4.3Å; N254-H257 PolarHBondContact O-N 3.23Å; N254-I258 HydrophobicContact CB-CD1 4.42Å; N254-I258 HydrophobicContact CB-CG1 4.5Å; N254-I258 PolarHBondContact O-N 3.45Å
255	P	97.6	Very high	96.4	Very high	36 Å²	36	32.5 Å²	32.5	23%	0.234	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-1.4	-169.7	32.9	-38.5	0	0	0	114.2	S252 L253 Y261 G292 R293	S252-P255 WeakPolarHBondContact O-CD 3.47Å; L253-P255 VanDerWaalsContact O-N 3.16Å; P255-Y261 VanDerWaalsContact CA-OH 3.27Å; P255-Y261 WeakPolarHBondContact CA-OH 3.47Å; P255-G292 CarbonylContact O-C 3.43Å; P255-G292 VanDerWaalsContact O-CA 3.31Å; P255-G292 WeakPolarHBondContact O-CA 3.48Å; P255-R293 PolarHBondContact O-N 2.74Å
256	Q	98.5	Very high	96.8	Very high	116 Å²	116	29.2 Å²	29.2	54%	0.542	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-10.8	170.9	-55.2	-54.2	-36	0	0	112.8	N254 D291	N254-Q256 PolarHBondContact O-N 3.44Å; Q256-D291 PolarHBondContact NE2-O 2.92Å
257	H	98.6	Very high	97.1	Very high	61 Å²	61	30 Å²	30	28%	0.282	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-47.8	178.8	-177.6	69.9	0	0	0	111.4	V159 D179 E181 N254 D259	V159-H257 WeakPolarHBondContact CB-O 3.47Å; V159-H257 WeakPolarHBondContact CG2-O 3.45Å; D179-H257 IonicContact OD1-NE2 3.43Å; D179-H257 IonicContact OD2-CD2 3.57Å; D179-H257 IonicContact OD2-CE1 3.07Å; D179-H257 IonicContact OD2-NE2 3.54Å; D179-H257 PolarHBondContact OD2-NE2 3.19Å; E181-H257 WeakPolarHBondContact CB-NE2 3.26Å; N254-H257 HydrophobicContact CB-CB 4.3Å; N254-H257 PolarHBondContact O-N 3.23Å; H257-D259 PolarHBondContact O-N 3.46Å
258	I	98.9	Very high	97.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.194	C	C	.	.			trans	-75.7	122.6	178.8	-57.4	174.1	0	0	0	109.4	V159 A182 L253 N254 I260 Y261	V159-I258 HydrophobicContact CG1-CG1 4.28Å; A182-I258 HydrophobicContact CB-CD1 4.4Å; A182-I258 HydrophobicContact CB-CG1 4.08Å; L253-I258 HydrophobicContact CB-CD1 4.44Å; L253-I258 HydrophobicContact CD2-CD1 4.12Å; L253-I258 HydrophobicContact CG-CD1 4.1Å; L253-I258 WeakPolarHBondContact O-CD1 3.47Å; N254-I258 HydrophobicContact CB-CD1 4.42Å; N254-I258 HydrophobicContact CB-CG1 4.5Å; N254-I258 PolarHBondContact O-N 3.45Å; I258-I260 VanDerWaalsContact CG2-O 3.3Å; I258-I260 WeakPolarHBondContact CG2-O 3.41Å; I258-Y261 HydrophobicContact CB-CE1 4.24Å; I258-Y261 HydrophobicContact CB-CE2 4.12Å; I258-Y261 HydrophobicContact CD1-CE1 3.87Å; I258-Y261 HydrophobicContact CG2-CD1 4.14Å; I258-Y261 HydrophobicContact CG2-CD2 4.04Å; I258-Y261 HydrophobicContact CG2-CE1 3.87Å; I258-Y261 HydrophobicContact CG2-CE2 3.71Å; I258-Y261 HydrophobicContact CG2-CG 4.24Å
259	D	98.9	Very high	97.3	Very high	15 Å²	15	37.3 Å²	37.3	8%	0.08	20%	0.203	C	C	.	.			trans	-81.4	-42.7	174.1	-77.2	-66.2	0	0	0	111.3	V158 V159 H257 R293 I299 L393 K397	V158-D259 WeakPolarHBondContact CA-OD2 3.32Å; V158-D259 HydrophobicContact CG1-CB 3.84Å; V158-D259 WeakPolarHBondContact CG1-OD2 3.2Å; V159-D259 PolarHBondContact N-OD2 2.95Å; V159-D259 WeakPolarHBondContact O-CB 3.33Å; V159-D259 PolarHBondContact O-N 2.94Å; H257-D259 PolarHBondContact O-N 3.46Å; D259-R293 WeakPolarHBondContact O-CD 3.3Å; D259-R293 IonicContact OD1-CZ 3.54Å; D259-R293 IonicContact OD1-NE 3.54Å; D259-R293 PolarHBondContact OD1-NE 2.83Å; D259-R293 IonicContact OD1-NH2 3.39Å; D259-R293 PolarHBondContact OD1-NH2 3.33Å; D259-I299 PolarHBondContact O-N 3.34Å; D259-L393 HydrophobicContact CB-CD1 3.73Å; D259-K397 IonicContact OD1-NZ 3.16Å; D259-K397 IonicContact OD2-NZ 3.84Å; D259-K397 PolarHBondContact OD2-NZ 3.42Å
260	I	98.9	Very high	97.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	133.7	-169	-53.9	165.4	0	0	0	110.2	V158 V159 V160 S161 I258 I299 V301 A386 I389 A390 L393	V158-I260 HydrophobicContact CG1-CD1 3.91Å; V158-I260 HydrophobicContact CG1-CG1 4.48Å; V159-I260 PolarHBondContact O-N 2.85Å; V159-I260 VanDerWaalsContact O-N 3.14Å; V160-I260 CarbonylContact C-O 3.57Å; V160-I260 VanDerWaalsContact CA-O 3.31Å; V160-I260 WeakPolarHBondContact CA-O 3.31Å; V160-I260 HydrophobicContact CB-CB 4.49Å; V160-I260 HydrophobicContact CG1-CB 4.13Å; V160-I260 HydrophobicContact CG1-CG2 4.22Å; V160-I260 HydrophobicContact CG2-CB 4.18Å; V160-I260 HydrophobicContact CG2-CD1 4.07Å; S161-I260 PolarHBondContact N-O 2.97Å; I258-I260 VanDerWaalsContact CG2-O 3.3Å; I258-I260 WeakPolarHBondContact CG2-O 3.41Å; I260-I299 WeakPolarHBondContact CA-O 3.39Å; I260-I299 HydrophobicContact CG1-CB 4.42Å; I260-V301 HydrophobicContact CG2-CG2 3.84Å; I260-A386 HydrophobicContact CG2-CB 3.96Å; I260-I389 HydrophobicContact CD1-CB 4.09Å; I260-I389 HydrophobicContact CD1-CG2 3.53Å; I260-I389 HydrophobicContact CG1-CG2 4.01Å; I260-A390 HydrophobicContact CD1-CB 3.83Å; I260-L393 HydrophobicContact CD1-CD1 3.86Å; I260-L393 HydrophobicContact CG1-CD1 3.8Å
261	Y	98.9	Very high	97.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	128.3	171.6	-59.1	-101	0	0	0	108	S161 L163 L253 P255 I258 I299 F300 V301	S161-Y261 WeakPolarHBondContact O-CA 3.41Å; L163-Y261 HydrophobicContact CD1-CD1 4.11Å; L163-Y261 HydrophobicContact CD2-CD1 4.12Å; L163-Y261 HydrophobicContact CG-CD1 4.33Å; L253-Y261 PolarHBondContact O-OH 3.27Å; P255-Y261 VanDerWaalsContact CA-OH 3.27Å; P255-Y261 WeakPolarHBondContact CA-OH 3.47Å; I258-Y261 HydrophobicContact CB-CE1 4.24Å; I258-Y261 HydrophobicContact CB-CE2 4.12Å; I258-Y261 HydrophobicContact CD1-CE1 3.87Å; I258-Y261 HydrophobicContact CG2-CD1 4.14Å; I258-Y261 HydrophobicContact CG2-CD2 4.04Å; I258-Y261 HydrophobicContact CG2-CE1 3.87Å; I258-Y261 HydrophobicContact CG2-CE2 3.71Å; I258-Y261 HydrophobicContact CG2-CG 4.24Å; Y261-I299 PolarHBondContact N-O 3.26Å; Y261-F300 HydrophobicContact CD1-CE1 4.46Å; Y261-F300 AromaticContact CD2-CD1 3.98Å; Y261-F300 HydrophobicContact CD2-CD1 3.98Å; Y261-F300 AromaticContact CD2-CE1 3.72Å; Y261-F300 HydrophobicContact CD2-CE1 3.72Å; Y261-F300 HydrophobicContact CD2-CZ 4.37Å; Y261-F300 HydrophobicContact CE2-CE1 4.22Å; Y261-F300 AromaticContact CG-CD1 3.96Å; Y261-F300 HydrophobicContact CG-CD1 3.96Å; Y261-F300 AromaticContact CG-CE1 3.86Å; Y261-F300 HydrophobicContact CG-CE1 3.86Å; Y261-V301 PolarHBondContact O-N 3.06Å
262	S	98.9	Very high	97.4	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.8	174.4	-169	0	0	0	0	109.3	S161 L163	S161-S262 PolarHBondContact O-N 3.03Å; L163-S262 PolarHBondContact N-O 3.12Å
263	A	97.8	Very high	97.4	Very high	2 Å²	2	36.3 Å²	36.3	2%	0.017	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	154.6	179	0	0	0	0	0	111	L163 W265 V301 W302 A303	L163-A263 HydrophobicContact CB-CB 4.31Å; A263-W265 HydrophobicContact CB-CZ2 4.43Å; A263-V301 PolarHBondContact N-O 3.21Å; A263-W302 HydrophobicContact CB-CD2 3.88Å; A263-W302 HydrophobicContact CB-CE3 3.73Å; A263-W302 HydrophobicContact CB-CH2 3.51Å; A263-W302 HydrophobicContact CB-CZ2 3.65Å; A263-W302 HydrophobicContact CB-CZ3 3.55Å; A263-W302 WeakPolarHBondContact O-CA 3.28Å; A263-A303 PolarHBondContact O-N 3.28Å; A263-A303 VanDerWaalsContact O-N 3.13Å
264	S	94.4	Very high	97.4	Very high	24 Å²	24	36.8 Å²	36.8	17%	0.168	20%	0.197	C	C	.	.			trans	-145.4	27	178.6	62	0	0	0	0	113.2	H205 S379	H205-S264 PolarHBondContact CE1-OG 2.91Å; S264-S379 WeakPolarHBondContact OG-CB 3.37Å
265	W	96.1	Very high	97.3	Very high	27 Å²	27	37.8 Å²	37.8	10%	0.102	20%	0.203	C	C	.	.			trans	-109.9	161.3	175.2	47.4	-95.7	0	0	0	110.1	L163 M237 L238 E247 A263 W302 Y319	L163-W265 HydrophobicContact CB-CZ2 4.5Å; L163-W265 HydrophobicContact CD1-CZ2 4.45Å; L163-W265 PolarHBondContact O-NE1 2.77Å; M237-W265 HydrophobicContact CE-CD2 4.32Å; M237-W265 HydrophobicContact CE-CH2 4.17Å; M237-W265 HydrophobicContact CE-CZ2 3.76Å; M237-W265 HydrophobicContact SD-CZ2 4.31Å; L238-W265 HydrophobicContact CD1-CB 4.19Å; L238-W265 HydrophobicContact CD1-CG 4.36Å; L238-W265 HydrophobicContact CD2-CB 4.02Å; L238-W265 HydrophobicContact CD2-CG 3.97Å; E247-W265 HydrophobicContact CB-CH2 4.16Å; E247-W265 HydrophobicContact CG-CH2 3.87Å; E247-W265 HydrophobicContact CG-CZ3 3.83Å; A263-W265 HydrophobicContact CB-CZ2 4.43Å; W265-W302 AromaticContact CD2-CZ2 3.94Å; W265-W302 HydrophobicContact CD2-CZ2 3.94Å; W265-W302 AromaticContact CE2-CZ2 3.9Å; W265-W302 AromaticContact CE3-CZ2 3.88Å; W265-W302 HydrophobicContact CE3-CZ2 3.88Å; W265-W302 AromaticContact CH2-CH2 3.66Å; W265-W302 HydrophobicContact CH2-CH2 3.66Å; W265-W302 AromaticContact CH2-CZ2 3.79Å; W265-W302 HydrophobicContact CH2-CZ2 3.79Å; W265-W302 AromaticContact CZ2-CH2 3.58Å; W265-W302 HydrophobicContact CZ2-CH2 3.58Å; W265-W302 AromaticContact CZ2-CZ2 3.84Å; W265-W302 HydrophobicContact CZ2-CZ2 3.84Å; W265-W302 HydrophobicContact CZ3-CH2 4.16Å; W265-W302 AromaticContact CZ3-CZ2 3.82Å; W265-W302 HydrophobicContact CZ3-CZ2 3.82Å; W265-W302 PolarHBondContact O-NE1 3.03Å; W265-Y319 HydrophobicContact CE3-CE1 4.36Å; W265-Y319 HydrophobicContact CH2-CD1 4.38Å; W265-Y319 HydrophobicContact CH2-CE1 4.14Å; W265-Y319 AromaticContact CZ3-CD1 3.8Å; W265-Y319 HydrophobicContact CZ3-CD1 3.8Å; W265-Y319 AromaticContact CZ3-CE1 3.45Å; W265-Y319 HydrophobicContact CZ3-CE1 3.45Å; W265-Y319 VanDerWaalsContact CZ3-CE1 3.45Å
266	G	95.6	Very high	97.2	Very high	35 Å²	35	36.4 Å²	36.4	36%	0.361	20%	0.195	S	C	.	.			trans	-179.2	-157.4	-176.3	0	0	0	0	0	109.3
267	P	95.6	Very high	97.1	Very high	26 Å²	26	31.1 Å²	31.1	17%	0.169	17%	0.171	C	C	.	.	S	Bend	trans	-62.3	175.4	170	-17.7	32.5	0	0	0	112.5	D269 T273 D275 D317	P267-D269 PolarHBondContact O-N 3.26Å; P267-T273 HydrophobicContact CB-CG2 3.67Å; P267-D275 HydrophobicContact CB-CB 4.23Å; P267-D275 HydrophobicContact CG-CB 4.03Å; P267-D275 VanDerWaalsContact CG-O 3.26Å; P267-D275 WeakPolarHBondContact CG-O 3.39Å; P267-D317 WeakPolarHBondContact CD-OD1 3.42Å; P267-D317 HydrophobicContact CG-CB 4.25Å
268	E	94.2	Very high	96.8	Very high	133 Å²	133	30.3 Å²	30.3	62%	0.621	18%	0.175	S	C	*	.			trans	-69.4	122.7	174.3	-163.7	-176.5	170.9	0	0	110.3	D270	E268-D270 HydrophobicContact CB-CB 4.4Å; E268-D270 HydrophobicContact CG-CB 4.01Å; E268-D270 PolarHBondContact O-N 3.22Å
269	D	96.6	Very high	96.5	Very high	54 Å²	54	38.8 Å²	38.8	29%	0.289	21%	0.211	S	C	.	.			trans	-70.7	53.4	-179	-71	-16.3	0	0	0	112.8	P267 N306 G307	P267-D269 PolarHBondContact O-N 3.26Å; D269-N306 VanDerWaalsContact CG-N 3.35Å; D269-N306 WeakPolarHBondContact OD2-CA 3.34Å; D269-N306 WeakPolarHBondContact OD2-CB 3.19Å; D269-N306 PolarHBondContact OD2-N 2.82Å; D269-G307 WeakPolarHBondContact O-CA 3.35Å
270	D	97.1	Very high	95.9	Very high	18 Å²	18	42.1 Å²	42.1	10%	0.096	23%	0.229	C	C	.	.	S	Bend	trans	-109.6	-0.8	-161.1	61.4	24.8	0	0	0	115.4	E268 K272 T273 D312	E268-D270 HydrophobicContact CB-CB 4.4Å; E268-D270 HydrophobicContact CG-CB 4.01Å; E268-D270 PolarHBondContact O-N 3.22Å; D270-K272 VanDerWaalsContact C-N 3.26Å; D270-K272 HydrophobicContact CB-CG 4.1Å; D270-K272 PolarHBondContact O-N 2.65Å; D270-K272 WeakPolarHBondContact OD1-CA 3.43Å; D270-K272 WeakPolarHBondContact OD1-CG 3.33Å; D270-K272 PolarHBondContact OD1-N 3.41Å; D270-K272 WeakPolarHBondContact OD2-CE 3.46Å; D270-K272 WeakPolarHBondContact OD2-CG 3.46Å; D270-K272 IonicContact OD2-NZ 3.46Å; D270-T273 WeakPolarHBondContact OD1-CB 3.37Å; D270-T273 PolarHBondContact OD1-N 3.18Å; D270-T273 PolarHBondContact OD1-OG1 3.26Å; D270-T273 PolarHBondContact OD2-OG1 2.7Å; D270-D312 PolarHBondContact N-OD2 2.91Å
271	G	97.1	Very high	95.6	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	72.2	12.3	-178.5	0	0	0	0	0	114.9	D312 R530 D533	G271-D312 VanDerWaalsContact CA-CG 3.5Å; G271-D312 VanDerWaalsContact CA-OD2 3.32Å; G271-D312 WeakPolarHBondContact CA-OD2 3.38Å; G271-D312 PolarHBondContact N-OD2 3.32Å; G271-R530 WeakPolarHBondContact O-CB 3.31Å; G271-D533 PolarHBondContact O-N 3.38Å
272	K	97.3	Very high	95.4	Very high	76 Å²	76	48 Å²	48	33%	0.33	25%	0.254	S	S	.	.	S	Bend	trans	-135.4	-30.4	-179.1	57.7	173.3	-175.2	-175.2	0	113.7	D270 R509 R530 D533	D270-K272 VanDerWaalsContact C-N 3.26Å; D270-K272 HydrophobicContact CB-CG 4.1Å; D270-K272 PolarHBondContact O-N 2.65Å; D270-K272 WeakPolarHBondContact OD1-CA 3.43Å; D270-K272 WeakPolarHBondContact OD1-CG 3.33Å; D270-K272 PolarHBondContact OD1-N 3.41Å; D270-K272 WeakPolarHBondContact OD2-CE 3.46Å; D270-K272 WeakPolarHBondContact OD2-CG 3.46Å; D270-K272 IonicContact OD2-NZ 3.46Å; K272-R509 PolarHBondContact O-NH2 3.18Å; K272-R530 VanDerWaalsContact C-NH2 3.3Å; K272-R530 PolarHBondContact O-NH2 3.4Å; K272-D533 HydrophobicContact CB-CB 4.32Å
273	T	97.4	Very high	95.2	Very high	39 Å²	39	51.5 Å²	51.5	24%	0.239	27%	0.27	C	S	.	.			trans	-72.7	148.9	-175	-68.9	0	0	0	0	111.4	P267 D270 D275 R530	P267-T273 HydrophobicContact CB-CG2 3.67Å; D270-T273 WeakPolarHBondContact OD1-CB 3.37Å; D270-T273 PolarHBondContact OD1-N 3.18Å; D270-T273 PolarHBondContact OD1-OG1 3.26Å; D270-T273 PolarHBondContact OD2-OG1 2.7Å; T273-D275 HydrophobicContact CG2-CB 4.23Å; T273-R530 PolarHBondContact O-NH1 3.19Å; T273-R530 PolarHBondContact O-NH2 3.39Å
274	V	98.1	Very high	95.2	Very high	31 Å²	31	51.7 Å²	51.7	19%	0.188	27%	0.272	C	S	.	.			trans	-141.1	102.5	171.6	178.8	0	0	0	0	105.9	C316 R509 F539 W542	V274-C316 HydrophobicContact CG2-CB 4.1Å; V274-R509 VanDerWaalsContact CG2-CZ 3.44Å; V274-F539 HydrophobicContact CG1-CD1 4.13Å; V274-F539 HydrophobicContact CG1-CE1 3.9Å; V274-F539 HydrophobicContact CG2-CE1 3.85Å; V274-F539 HydrophobicContact CG2-CZ 4.47Å; V274-W542 HydrophobicContact CG1-CD2 3.8Å; V274-W542 HydrophobicContact CG1-CE3 3.73Å; V274-W542 HydrophobicContact CG1-CH2 3.84Å; V274-W542 HydrophobicContact CG1-CZ2 3.91Å; V274-W542 HydrophobicContact CG1-CZ3 3.75Å
275	D	96.9	Very high	95.4	Very high	98 Å²	98	50.6 Å²	50.6	52%	0.524	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-154.6	167.7	-177.4	-157	3.6	0	0	0	110.9	P267 T273 C316 G318 W542	P267-D275 HydrophobicContact CB-CB 4.23Å; P267-D275 HydrophobicContact CG-CB 4.03Å; P267-D275 VanDerWaalsContact CG-O 3.26Å; P267-D275 WeakPolarHBondContact CG-O 3.39Å; T273-D275 HydrophobicContact CG2-CB 4.23Å; D275-C316 PolarHBondContact N-O 3.21Å; D275-G318 PolarHBondContact O-N 3.22Å; D275-W542 WeakPolarHBondContact O-CH2 3.4Å
276	G	96.4	Very high	95.4	Very high	7 Å²	7	52.6 Å²	52.6	7%	0.072	28%	0.277	C	S	.	.			trans	-173.6	-175.5	-177.2	0	0	0	0	0	112.6	A278	G276-A278 PolarHBondContact O-N 3.25Å
277	P	95.7	Very high	95.4	Very high	4 Å²	4	57.8 Å²	57.8	3%	0.026	29%	0.285	C	S	.	.			trans	-54.8	127.9	-170.7	20.8	-32	0	0	0	110.9	A281 K282 F285 G318 Y319	P277-A281 HydrophobicContact CB-CB 3.56Å; P277-K282 HydrophobicContact CB-CG 4Å; P277-K282 HydrophobicContact CG-CG 3.94Å; P277-K282 WeakPolarHBondContact O-CD 3.36Å; P277-K282 WeakPolarHBondContact O-CE 3.41Å; P277-K282 WeakPolarHBondContact O-CG 3.09Å; P277-K282 PolarHBondContact O-NZ 3.4Å; P277-F285 HydrophobicContact CB-CD2 4.3Å; P277-F285 HydrophobicContact CB-CE2 4.02Å; P277-F285 HydrophobicContact CG-CD2 4.33Å; P277-F285 HydrophobicContact CG-CE2 4.06Å; P277-G318 WeakPolarHBondContact CD-O 3.35Å; P277-Y319 WeakPolarHBondContact CA-OH 3.32Å; P277-Y319 HydrophobicContact CB-CD1 4.01Å; P277-Y319 HydrophobicContact CB-CE1 3.59Å; P277-Y319 HydrophobicContact CG-CD1 4.16Å; P277-Y319 HydrophobicContact CG-CE1 4.2Å
278	A	91.6	Very high	95.6	Very high	44 Å²	44	56.7 Å²	56.7	36%	0.364	28%	0.279	S	S	.	.			trans	-73.8	-162.2	175.6	0	0	0	0	0	110.5	D244 G276 K282	D244-A278 HydrophobicContact CB-CB 3.75Å; D244-A278 VanDerWaalsContact OD1-C 3.25Å; D244-A278 WeakPolarHBondContact OD1-CB 3.48Å; G276-A278 PolarHBondContact O-N 3.25Å; A278-K282 VanDerWaalsContact O-CB 3.29Å; A278-K282 WeakPolarHBondContact O-CB 3.34Å; A278-K282 WeakPolarHBondContact O-CG 3.22Å; A278-K282 PolarHBondContact O-N 2.9Å
279	K	93.2	Very high	95.8	Very high	178 Å²	178	50.7 Å²	50.7	77%	0.774	25%	0.252	S	S	*	.	H	α-helix	trans	-68.4	-42.7	-164.8	-176.9	-179.5	174.8	-175	0	111.9	D244 E283	D244-K279 PolarHBondContact OD1-N 3.38Å; D244-K279 PolarHBondContact OD2-N 3.43Å; K279-E283 PolarHBondContact O-N 2.8Å
280	L	86.9	Confident	95.8	Very high	85 Å²	85	51.7 Å²	51.7	45%	0.445	26%	0.26	S	S	.	.	H	α-helix	trans	-75	-41.5	-177.5	-56.9	174.9	0	0	0	110.7	D244 M245 A248 K282 E283 A284	D244-L280 VanDerWaalsContact CG-N 3.33Å; D244-L280 WeakPolarHBondContact OD1-CA 3.3Å; D244-L280 WeakPolarHBondContact OD1-CB 3.35Å; D244-L280 PolarHBondContact OD1-N 3Å; D244-L280 WeakPolarHBondContact OD2-CG 3.5Å; D244-L280 PolarHBondContact OD2-N 3.39Å; M245-L280 HydrophobicContact CB-CD1 4.33Å; A248-L280 HydrophobicContact CB-CB 3.5Å; L280-K282 PolarHBondContact O-N 3.01Å; L280-E283 PolarHBondContact O-N 3.21Å; L280-A284 WeakPolarHBondContact O-CB 3.23Å; L280-A284 PolarHBondContact O-N 2.99Å
281	A	92.4	Very high	95.8	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.3	-41.8	175.6	0	0	0	0	0	112.1	D244 E247 L251 P277 E283 A284 F285	D244-A281 PolarHBondContact OD1-N 2.7Å; E247-A281 HydrophobicContact CB-CB 4.09Å; E247-A281 WeakPolarHBondContact OE2-CB 3.28Å; L251-A281 HydrophobicContact CD1-CB 4.17Å; P277-A281 HydrophobicContact CB-CB 3.56Å; A281-E283 PolarHBondContact O-N 3.05Å; A281-A284 PolarHBondContact O-N 3.43Å; A281-F285 WeakPolarHBondContact O-CD2 3.42Å; A281-F285 PolarHBondContact O-N 2.75Å
282	K	94.3	Very high	95.8	Very high	123 Å²	123	55 Å²	55	54%	0.535	28%	0.278	S	S	.	.	H	α-helix	trans	-60.4	-41	172.9	-81.4	169.7	172	127	0	112.8	P277 A278 L280 L286	P277-K282 HydrophobicContact CB-CG 4Å; P277-K282 HydrophobicContact CG-CG 3.94Å; P277-K282 WeakPolarHBondContact O-CD 3.36Å; P277-K282 WeakPolarHBondContact O-CE 3.41Å; P277-K282 WeakPolarHBondContact O-CG 3.09Å; P277-K282 PolarHBondContact O-NZ 3.4Å; A278-K282 VanDerWaalsContact O-CB 3.29Å; A278-K282 WeakPolarHBondContact O-CB 3.34Å; A278-K282 WeakPolarHBondContact O-CG 3.22Å; A278-K282 PolarHBondContact O-N 2.9Å; L280-K282 PolarHBondContact O-N 3.01Å; K282-L286 PolarHBondContact O-N 2.94Å; K282-L286 VanDerWaalsContact O-N 3.14Å
283	E	94.6	Very high	95.9	Very high	77 Å²	77	52.5 Å²	52.5	36%	0.36	27%	0.266	S	S	.	.	H	α-helix	trans	-68.8	-38.5	175.6	-179.8	70.2	-177.8	0	0	111.6	K279 L280 A281 L286 R287	K279-E283 PolarHBondContact O-N 2.8Å; L280-E283 PolarHBondContact O-N 3.21Å; A281-E283 PolarHBondContact O-N 3.05Å; E283-L286 PolarHBondContact O-N 3.31Å; E283-R287 WeakPolarHBondContact O-CG 3.34Å; E283-R287 PolarHBondContact O-N 2.7Å; E283-R287 IonicContact OE1-CZ 3.18Å; E283-R287 IonicContact OE1-NE 2.77Å; E283-R287 PolarHBondContact OE1-NE 3.39Å; E283-R287 IonicContact OE1-NH2 2.75Å; E283-R287 PolarHBondContact OE1-NH2 2.85Å
284	A	97.1	Very high	95.9	Very high	7 Å²	7	53.9 Å²	53.9	6%	0.058	29%	0.288	C	S	.	.	H	α-helix	trans	-64.1	-43.6	176.8	0	0	0	0	0	111.8	A248 L251 L280 A281 G288	A248-A284 HydrophobicContact CB-CB 4.11Å; L251-A284 HydrophobicContact CB-CB 3.84Å; L251-A284 HydrophobicContact CD1-CB 4.45Å; L280-A284 WeakPolarHBondContact O-CB 3.23Å; L280-A284 PolarHBondContact O-N 2.99Å; A281-A284 PolarHBondContact O-N 3.43Å; A284-G288 PolarHBondContact O-N 3.35Å
285	F	98.3	Very high	95.8	Very high	1 Å²	1	54.5 Å²	54.5	0%	0.004	30%	0.301	C	S	.	.	H	α-helix	trans	-58.6	-48.6	170.8	-78.9	-61.3	0	0	0	111.9	L251 P277 A281 R287 G288 V289 F300 W302 Y319 Y324 T325	L251-F285 HydrophobicContact CD1-CD1 4.49Å; L251-F285 HydrophobicContact CD1-CD2 4.07Å; L251-F285 HydrophobicContact CD1-CE1 4.19Å; L251-F285 HydrophobicContact CD1-CE2 3.73Å; L251-F285 HydrophobicContact CD1-CG 4.43Å; L251-F285 HydrophobicContact CD1-CZ 3.81Å; L251-F285 HydrophobicContact CD2-CD1 4.23Å; L251-F285 HydrophobicContact CD2-CE1 3.63Å; L251-F285 HydrophobicContact CD2-CZ 3.83Å; P277-F285 HydrophobicContact CB-CD2 4.3Å; P277-F285 HydrophobicContact CB-CE2 4.02Å; P277-F285 HydrophobicContact CG-CD2 4.33Å; P277-F285 HydrophobicContact CG-CE2 4.06Å; A281-F285 WeakPolarHBondContact O-CD2 3.42Å; A281-F285 PolarHBondContact O-N 2.75Å; F285-R287 PolarHBondContact O-N 3.09Å; F285-G288 PolarHBondContact O-N 2.84Å; F285-V289 WeakPolarHBondContact O-CG2 3.08Å; F285-V289 PolarHBondContact O-N 3.31Å; F285-F300 HydrophobicContact CD1-CD1 4.15Å; F285-F300 AromaticContact CD1-CD2 3.79Å; F285-F300 HydrophobicContact CD1-CD2 3.79Å; F285-F300 HydrophobicContact CD1-CE1 4.33Å; F285-F300 AromaticContact CD1-CE2 3.96Å; F285-F300 HydrophobicContact CD1-CE2 3.96Å; F285-F300 AromaticContact CD1-CG 3.89Å; F285-F300 HydrophobicContact CD1-CG 3.89Å; F285-F300 HydrophobicContact CD1-CZ 4.22Å; F285-F300 HydrophobicContact CE1-CB 4.13Å; F285-F300 AromaticContact CE1-CD1 3.96Å; F285-F300 HydrophobicContact CE1-CD1 3.96Å; F285-F300 HydrophobicContact CE1-CD2 4.21Å; F285-F300 HydrophobicContact CE1-CE1 4.46Å; F285-F300 AromaticContact CE1-CG 3.83Å; F285-F300 HydrophobicContact CE1-CG 3.83Å; F285-W302 HydrophobicContact CE1-CE3 4.38Å; F285-W302 HydrophobicContact CE1-CH2 4.28Å; F285-W302 AromaticContact CE1-CZ3 3.75Å; F285-W302 HydrophobicContact CE1-CZ3 3.75Å; F285-W302 HydrophobicContact CZ-CE3 4.34Å; F285-W302 AromaticContact CZ-CH2 3.74Å; F285-W302 HydrophobicContact CZ-CH2 3.74Å; F285-W302 HydrophobicContact CZ-CZ2 4.5Å; F285-W302 AromaticContact CZ-CZ3 3.64Å; F285-W302 HydrophobicContact CZ-CZ3 3.64Å; F285-Y319 AromaticContact CE2-CD1 3.99Å; F285-Y319 HydrophobicContact CE2-CD1 3.99Å; F285-Y319 HydrophobicContact CZ-CD1 4.18Å; F285-Y324 HydrophobicContact CB-CD2 3.73Å; F285-Y324 HydrophobicContact CB-CG 4.32Å; F285-T325 HydrophobicContact CE1-CG2 3.72Å; F285-T325 HydrophobicContact CZ-CG2 3.99Å
286	L	97.1	Very high	95.9	Very high	69 Å²	69	51.9 Å²	51.9	36%	0.361	29%	0.287	S	S	.	.	H	α-helix	trans	-59.8	-46.7	-179	177.5	60.4	0	0	0	111.9	K282 E283 V289 T290	K282-L286 PolarHBondContact O-N 2.94Å; K282-L286 VanDerWaalsContact O-N 3.14Å; E283-L286 PolarHBondContact O-N 3.31Å; L286-V289 WeakPolarHBondContact O-CG2 3.3Å; L286-T290 WeakPolarHBondContact O-CB 3.18Å; L286-T290 PolarHBondContact O-N 3.47Å; L286-T290 PolarHBondContact O-OG1 2.95Å
287	R	96.4	Very high	96	Very high	143 Å²	143	51.6 Å²	51.6	54%	0.54	28%	0.283	S	S	.	.	H	α-helix	trans	-66.7	-39.8	175.3	-69.5	-177.4	-169.7	-169.8	3.6	112.2	E283 F285 V289 T290 D291 G292	E283-R287 WeakPolarHBondContact O-CG 3.34Å; E283-R287 PolarHBondContact O-N 2.7Å; E283-R287 IonicContact OE1-CZ 3.18Å; E283-R287 IonicContact OE1-NE 2.77Å; E283-R287 PolarHBondContact OE1-NE 3.39Å; E283-R287 IonicContact OE1-NH2 2.75Å; E283-R287 PolarHBondContact OE1-NH2 2.85Å; F285-R287 PolarHBondContact O-N 3.09Å; R287-V289 PolarHBondContact O-N 3.03Å; R287-T290 PolarHBondContact O-N 3.01Å; R287-D291 WeakPolarHBondContact O-CB 3.19Å; R287-D291 PolarHBondContact O-N 3.35Å; R287-G292 PolarHBondContact O-N 3.5Å
288	G	98.2	Very high	96.2	Very high	4 Å²	4	51.4 Å²	51.4	4%	0.041	28%	0.282	C	S	.	.	H	α-helix	trans	-53.9	-53.1	174.4	0	0	0	0	0	111.5	A284 F285 T290 G292 G297 S298	A284-G288 PolarHBondContact O-N 3.35Å; F285-G288 PolarHBondContact O-N 2.84Å; G288-T290 VanDerWaalsContact C-N 3.34Å; G288-T290 PolarHBondContact O-N 3.47Å; G288-G292 VanDerWaalsContact O-CA 3.31Å; G288-G292 WeakPolarHBondContact O-CA 3.34Å; G288-G292 PolarHBondContact O-N 2.85Å; G288-G292 VanDerWaalsContact O-N 3.11Å; G288-G297 CarbonylContact O-C 3.55Å; G288-G297 WeakPolarHBondContact O-CA 3.4Å; G288-S298 WeakPolarHBondContact O-CB 3.34Å; G288-S298 PolarHBondContact O-N 2.94Å; G288-S298 PolarHBondContact O-OG 2.69Å
289	V	98.2	Very high	96.5	Very high	6 Å²	6	49.5 Å²	49.5	4%	0.036	27%	0.266	C	S	.	.	H	α-helix	trans	-76.3	-15.6	-179.3	-57.3	0	0	0	0	115	F285 L286 R287 G297 F300 Y324 W401	F285-V289 WeakPolarHBondContact O-CG2 3.08Å; F285-V289 PolarHBondContact O-N 3.31Å; L286-V289 WeakPolarHBondContact O-CG2 3.3Å; R287-V289 PolarHBondContact O-N 3.03Å; V289-G297 VanDerWaalsContact O-CA 3.24Å; V289-G297 WeakPolarHBondContact O-CA 3.5Å; V289-F300 HydrophobicContact CG1-CD2 4.14Å; V289-F300 HydrophobicContact CG1-CE2 4.02Å; V289-Y324 HydrophobicContact CB-CD1 4.35Å; V289-Y324 HydrophobicContact CG1-CD1 4.04Å; V289-Y324 HydrophobicContact CG1-CG 4.18Å; V289-Y324 HydrophobicContact CG2-CD1 3.56Å; V289-Y324 HydrophobicContact CG2-CE1 3.83Å; V289-Y324 HydrophobicContact CG2-CG 4.2Å; V289-W401 HydrophobicContact CB-CD2 3.91Å; V289-W401 HydrophobicContact CB-CG 3.95Å; V289-W401 HydrophobicContact CB-CZ2 4.31Å; V289-W401 HydrophobicContact CG1-CD2 4.01Å; V289-W401 HydrophobicContact CG1-CE3 4.35Å; V289-W401 HydrophobicContact CG1-CG 4.14Å; V289-W401 HydrophobicContact CG2-CZ2 4.26Å; V289-W401 PolarHBondContact O-NE1 3.33Å; V289-W401 VanDerWaalsContact O-NE1 3.15Å
290	T	96.7	Very high	96.8	Very high	75 Å²	75	41.1 Å²	41.1	46%	0.46	23%	0.23	S	C	.	.	H	α-helix	trans	-97.3	-46.8	-178.1	-54.9	0	0	0	0	112.4	L286 R287 G288 G295	L286-T290 WeakPolarHBondContact O-CB 3.18Å; L286-T290 PolarHBondContact O-N 3.47Å; L286-T290 PolarHBondContact O-OG1 2.95Å; R287-T290 PolarHBondContact O-N 3.01Å; G288-T290 VanDerWaalsContact C-N 3.34Å; G288-T290 PolarHBondContact O-N 3.47Å; T290-G295 WeakPolarHBondContact O-CA 3.5Å
291	D	97	Very high	97.4	Very high	89 Å²	89	37 Å²	37	48%	0.476	21%	0.208	S	C	.	.	H	α-helix	trans	-106	-26.8	-171.5	-54.4	-47.4	0	0	0	112.4	Q256 R287 G295	Q256-D291 PolarHBondContact NE2-O 2.92Å; R287-D291 WeakPolarHBondContact O-CB 3.19Å; R287-D291 PolarHBondContact O-N 3.35Å; D291-G295 PolarHBondContact O-N 2.72Å; D291-G295 VanDerWaalsContact O-N 3.11Å
292	G	98.1	Very high	97.7	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-58.6	153.8	-177.4	0	0	0	0	0	113.3	P255 R287 G288 G294 G295 L296 G297	P255-G292 CarbonylContact O-C 3.43Å; P255-G292 VanDerWaalsContact O-CA 3.31Å; P255-G292 WeakPolarHBondContact O-CA 3.48Å; R287-G292 PolarHBondContact O-N 3.5Å; G288-G292 VanDerWaalsContact O-CA 3.31Å; G288-G292 WeakPolarHBondContact O-CA 3.34Å; G288-G292 PolarHBondContact O-N 2.85Å; G288-G292 VanDerWaalsContact O-N 3.11Å; G292-G294 VanDerWaalsContact C-N 3.28Å; G292-G294 PolarHBondContact O-N 3.25Å; G292-G295 PolarHBondContact O-N 2.91Å; G292-L296 PolarHBondContact O-N 3.1Å; G292-G297 WeakPolarHBondContact O-CA 3.24Å; G292-G297 PolarHBondContact O-N 3.31Å
293	R	98.3	Very high	97.9	Very high	22 Å²	22	31.3 Å²	31.3	8%	0.083	18%	0.184	C	C	.	.	H	α-helix	trans	49.9	44.9	-179.4	-58.1	172.4	67	-119.7	-14	112.9	P255 D259 G295 L296 G297 K397 L399	P255-R293 PolarHBondContact O-N 2.74Å; D259-R293 WeakPolarHBondContact O-CD 3.3Å; D259-R293 IonicContact OD1-CZ 3.54Å; D259-R293 IonicContact OD1-NE 3.54Å; D259-R293 PolarHBondContact OD1-NE 2.83Å; D259-R293 IonicContact OD1-NH2 3.39Å; D259-R293 PolarHBondContact OD1-NH2 3.33Å; R293-G295 VanDerWaalsContact C-N 3.33Å; R293-G295 PolarHBondContact O-N 2.69Å; R293-L296 HydrophobicContact CB-CB 4.11Å; R293-L296 WeakPolarHBondContact O-CB 3.41Å; R293-L296 WeakPolarHBondContact O-CG 3.38Å; R293-L296 PolarHBondContact O-N 2.94Å; R293-G297 WeakPolarHBondContact CD-O 3.37Å; R293-K397 PolarHBondContact NH2-O 3.02Å; R293-L399 PolarHBondContact NH1-O 3.48Å
294	G	97.6	Very high	98	Very high	68 Å²	68	27.7 Å²	27.7	70%	0.701	17%	0.167	S	C	*	.	H	α-helix	trans	65.4	30.5	-178.2	0	0	0	0	0	114.5	G292	G292-G294 VanDerWaalsContact C-N 3.28Å; G292-G294 PolarHBondContact O-N 3.25Å
295	G	97.8	Very high	98	Very high	45 Å²	45	27.7 Å²	27.7	46%	0.464	17%	0.168	S	C	.	.	H	α-helix	trans	86.8	6.5	-176.5	0	0	0	0	0	115.3	T290 D291 G292 R293 G297	T290-G295 WeakPolarHBondContact O-CA 3.5Å; D291-G295 PolarHBondContact O-N 2.72Å; D291-G295 VanDerWaalsContact O-N 3.11Å; G292-G295 PolarHBondContact O-N 2.91Å; R293-G295 VanDerWaalsContact C-N 3.33Å; R293-G295 PolarHBondContact O-N 2.69Å; G295-G297 VanDerWaalsContact C-N 3.31Å
296	L	98.5	Very high	98	Very high	43 Å²	43	29.7 Å²	29.7	23%	0.225	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-20.9	168.9	-62.5	177.2	0	0	0	112.3	G292 R293 K397 N398 T400 W401	G292-L296 PolarHBondContact O-N 3.1Å; R293-L296 HydrophobicContact CB-CB 4.11Å; R293-L296 WeakPolarHBondContact O-CB 3.41Å; R293-L296 WeakPolarHBondContact O-CG 3.38Å; R293-L296 PolarHBondContact O-N 2.94Å; L296-K397 VanDerWaalsContact CD1-O 3.31Å; L296-K397 WeakPolarHBondContact CD1-O 3.27Å; L296-N398 WeakPolarHBondContact CD2-O 3.02Å; L296-T400 HydrophobicContact CD2-CG2 4.05Å; L296-T400 CarbonylContact O-C 3.56Å; L296-T400 WeakPolarHBondContact O-CA 3.45Å; L296-T400 VanDerWaalsContact O-CB 3.29Å; L296-T400 WeakPolarHBondContact O-CB 3.37Å; L296-W401 PolarHBondContact O-N 3.49Å
297	G	98.7	Very high	98	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.162	C	C	.	.			trans	85.5	130.1	-176.7	0	0	0	0	0	113.3	G288 V289 G292 R293 G295	G288-G297 CarbonylContact O-C 3.55Å; G288-G297 WeakPolarHBondContact O-CA 3.4Å; V289-G297 VanDerWaalsContact O-CA 3.24Å; V289-G297 WeakPolarHBondContact O-CA 3.5Å; G292-G297 WeakPolarHBondContact O-CA 3.24Å; G292-G297 PolarHBondContact O-N 3.31Å; R293-G297 WeakPolarHBondContact CD-O 3.37Å; G295-G297 VanDerWaalsContact C-N 3.31Å
298	S	98.8	Very high	98	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	14%	0.141	C	C	.	.			trans	-53.3	141.3	167.6	-60.5	0	0	0	0	111.2	G288	G288-S298 WeakPolarHBondContact O-CB 3.34Å; G288-S298 PolarHBondContact O-N 2.94Å; G288-S298 PolarHBondContact O-OG 2.69Å
299	I	98.9	Very high	97.9	Very high	5 Å²	5	28.4 Å²	28.4	3%	0.026	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	110.6	175.6	-66.5	156.1	0	0	0	108.9	D259 I260 Y261 V301 I389 L393 W401 M404	D259-I299 PolarHBondContact O-N 3.34Å; I260-I299 WeakPolarHBondContact CA-O 3.39Å; I260-I299 HydrophobicContact CG1-CB 4.42Å; Y261-I299 PolarHBondContact N-O 3.26Å; I299-V301 HydrophobicContact CG2-CG2 4.1Å; I299-I389 HydrophobicContact CD1-CG2 4.18Å; I299-I389 HydrophobicContact CG2-CD1 4.47Å; I299-I389 HydrophobicContact CG2-CG2 4.03Å; I299-L393 HydrophobicContact CD1-CD1 3.96Å; I299-L393 HydrophobicContact CD1-CD2 3.98Å; I299-L393 HydrophobicContact CD1-CG 4.29Å; I299-W401 HydrophobicContact CG1-CB 4.26Å; I299-M404 HydrophobicContact CD1-CB 4.04Å; I299-M404 HydrophobicContact CD1-CE 4.12Å; I299-M404 HydrophobicContact CD1-CG 4.13Å; I299-M404 HydrophobicContact CG1-CB 4.44Å
300	F	98.9	Very high	97.9	Very high	1 Å²	1	31.4 Å²	31.4	0%	0.004	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	119.3	174.4	-57.6	-81.3	0	0	0	109.2	L251 Y261 F285 V289 W302 T325 L326	L251-F300 HydrophobicContact CB-CE1 4.4Å; L251-F300 HydrophobicContact CD2-CD1 3.78Å; L251-F300 HydrophobicContact CD2-CE1 3.7Å; Y261-F300 HydrophobicContact CD1-CE1 4.46Å; Y261-F300 AromaticContact CD2-CD1 3.98Å; Y261-F300 HydrophobicContact CD2-CD1 3.98Å; Y261-F300 AromaticContact CD2-CE1 3.72Å; Y261-F300 HydrophobicContact CD2-CE1 3.72Å; Y261-F300 HydrophobicContact CD2-CZ 4.37Å; Y261-F300 HydrophobicContact CE2-CE1 4.22Å; Y261-F300 AromaticContact CG-CD1 3.96Å; Y261-F300 HydrophobicContact CG-CD1 3.96Å; Y261-F300 AromaticContact CG-CE1 3.86Å; Y261-F300 HydrophobicContact CG-CE1 3.86Å; F285-F300 HydrophobicContact CD1-CD1 4.15Å; F285-F300 AromaticContact CD1-CD2 3.79Å; F285-F300 HydrophobicContact CD1-CD2 3.79Å; F285-F300 HydrophobicContact CD1-CE1 4.33Å; F285-F300 AromaticContact CD1-CE2 3.96Å; F285-F300 HydrophobicContact CD1-CE2 3.96Å; F285-F300 AromaticContact CD1-CG 3.89Å; F285-F300 HydrophobicContact CD1-CG 3.89Å; F285-F300 HydrophobicContact CD1-CZ 4.22Å; F285-F300 HydrophobicContact CE1-CB 4.13Å; F285-F300 AromaticContact CE1-CD1 3.96Å; F285-F300 HydrophobicContact CE1-CD1 3.96Å; F285-F300 HydrophobicContact CE1-CD2 4.21Å; F285-F300 HydrophobicContact CE1-CE1 4.46Å; F285-F300 AromaticContact CE1-CG 3.83Å; F285-F300 HydrophobicContact CE1-CG 3.83Å; V289-F300 HydrophobicContact CG1-CD2 4.14Å; V289-F300 HydrophobicContact CG1-CE2 4.02Å; F300-W302 HydrophobicContact CB-CE3 4.42Å; F300-T325 HydrophobicContact CB-CG2 4.15Å; F300-T325 CarbonylContact O-C 3.46Å; F300-T325 WeakPolarHBondContact O-CA 3.43Å; F300-L326 WeakPolarHBondContact O-CB 3.48Å; F300-L326 PolarHBondContact O-N 2.74Å
301	V	98.9	Very high	97.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	129.3	176.6	-173	0	0	0	0	108.2	I260 Y261 A263 I299 I328 A382 A385 A386 I389	I260-V301 HydrophobicContact CG2-CG2 3.84Å; Y261-V301 PolarHBondContact O-N 3.06Å; A263-V301 PolarHBondContact N-O 3.21Å; I299-V301 HydrophobicContact CG2-CG2 4.1Å; V301-I328 HydrophobicContact CG1-CG1 4.1Å; V301-A382 HydrophobicContact CG1-CB 4.17Å; V301-A382 WeakPolarHBondContact CG1-O 3.26Å; V301-A385 HydrophobicContact CG1-CB 4.01Å; V301-A386 HydrophobicContact CB-CB 4.34Å; V301-A386 HydrophobicContact CG2-CB 4.13Å; V301-I389 HydrophobicContact CG2-CD1 3.55Å
302	W	98.8	Very high	98	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	139.7	-171.3	-132.2	-90.7	0	0	0	111.8	L251 A263 W265 F285 F300 Y319 T325 L326 S327 I328	L251-W302 HydrophobicContact CD2-CH2 3.96Å; L251-W302 HydrophobicContact CD2-CZ3 3.94Å; A263-W302 HydrophobicContact CB-CD2 3.88Å; A263-W302 HydrophobicContact CB-CE3 3.73Å; A263-W302 HydrophobicContact CB-CH2 3.51Å; A263-W302 HydrophobicContact CB-CZ2 3.65Å; A263-W302 HydrophobicContact CB-CZ3 3.55Å; A263-W302 WeakPolarHBondContact O-CA 3.28Å; W265-W302 AromaticContact CD2-CZ2 3.94Å; W265-W302 HydrophobicContact CD2-CZ2 3.94Å; W265-W302 AromaticContact CE2-CZ2 3.9Å; W265-W302 AromaticContact CE3-CZ2 3.88Å; W265-W302 HydrophobicContact CE3-CZ2 3.88Å; W265-W302 AromaticContact CH2-CH2 3.66Å; W265-W302 HydrophobicContact CH2-CH2 3.66Å; W265-W302 AromaticContact CH2-CZ2 3.79Å; W265-W302 HydrophobicContact CH2-CZ2 3.79Å; W265-W302 AromaticContact CZ2-CH2 3.58Å; W265-W302 HydrophobicContact CZ2-CH2 3.58Å; W265-W302 AromaticContact CZ2-CZ2 3.84Å; W265-W302 HydrophobicContact CZ2-CZ2 3.84Å; W265-W302 HydrophobicContact CZ3-CH2 4.16Å; W265-W302 AromaticContact CZ3-CZ2 3.82Å; W265-W302 HydrophobicContact CZ3-CZ2 3.82Å; W265-W302 PolarHBondContact O-NE1 3.03Å; F285-W302 HydrophobicContact CE1-CE3 4.38Å; F285-W302 HydrophobicContact CE1-CH2 4.28Å; F285-W302 AromaticContact CE1-CZ3 3.75Å; F285-W302 HydrophobicContact CE1-CZ3 3.75Å; F285-W302 HydrophobicContact CZ-CE3 4.34Å; F285-W302 AromaticContact CZ-CH2 3.74Å; F285-W302 HydrophobicContact CZ-CH2 3.74Å; F285-W302 HydrophobicContact CZ-CZ2 4.5Å; F285-W302 AromaticContact CZ-CZ3 3.64Å; F285-W302 HydrophobicContact CZ-CZ3 3.64Å; F300-W302 HydrophobicContact CB-CE3 4.42Å; W302-Y319 HydrophobicContact CH2-CD1 4.28Å; W302-Y319 AromaticContact CZ2-CD1 3.8Å; W302-Y319 HydrophobicContact CZ2-CD1 3.8Å; W302-Y319 HydrophobicContact CZ2-CG 4.09Å; W302-T325 HydrophobicContact CB-CG2 4.29Å; W302-T325 HydrophobicContact CD2-CG2 3.97Å; W302-T325 HydrophobicContact CE3-CG2 3.56Å; W302-T325 HydrophobicContact CG-CG2 4.29Å; W302-T325 HydrophobicContact CZ3-CG2 4.24Å; W302-L326 PolarHBondContact N-O 3.35Å; W302-L326 VanDerWaalsContact N-O 3.08Å; W302-S327 WeakPolarHBondContact O-CA 3.42Å; W302-I328 PolarHBondContact O-N 2.98Å
303	A	98.6	Very high	98	Very high	3 Å²	3	30.1 Å²	30.1	3%	0.025	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	149.4	166.5	0	0	0	0	0	110.5	A263 G305 T320 T378 A382	A263-A303 PolarHBondContact O-N 3.28Å; A263-A303 VanDerWaalsContact O-N 3.13Å; A303-G305 VanDerWaalsContact C-N 3.34Å; A303-G305 PolarHBondContact O-N 3.12Å; A303-T320 PolarHBondContact O-OG1 3.12Å; A303-T378 WeakPolarHBondContact CB-O 3.47Å; A303-A382 HydrophobicContact CB-CB 4.18Å
304	S	97.6	Very high	98	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.166	C	C	.	.			trans	-90.5	23	-178.3	78.2	0	0	0	0	115.2	C314 I328 S329	S304-C314 WeakPolarHBondContact O-CB 3.36Å; S304-I328 PolarHBondContact N-O 3.17Å; S304-S329 VanDerWaalsContact CB-OG 3.29Å; S304-S329 WeakPolarHBondContact CB-OG 3.47Å; S304-S329 WeakPolarHBondContact OG-CA 3.44Å; S304-S329 WeakPolarHBondContact OG-CB 3.42Å; S304-S329 PolarHBondContact OG-OG 3.39Å
305	G	96.9	Very high	98	Very high	8 Å²	8	25.9 Å²	25.9	8%	0.082	13%	0.132	C	C	.	.			trans	81.1	165.2	-177.4	0	0	0	0	0	115.2	A303 E342 T378	A303-G305 VanDerWaalsContact C-N 3.34Å; A303-G305 PolarHBondContact O-N 3.12Å; G305-E342 VanDerWaalsContact C-OE1 3.25Å; G305-E342 VanDerWaalsContact CA-OE1 3.28Å; G305-E342 WeakPolarHBondContact CA-OE1 3.45Å; G305-T378 VanDerWaalsContact C-OG1 3.29Å; G305-T378 WeakPolarHBondContact O-CB 3.23Å; G305-T378 WeakPolarHBondContact O-CG2 3.3Å; G305-T378 PolarHBondContact O-OG1 3.22Å
306	N	97.8	Very high	98.1	Very high	43 Å²	43	23.8 Å²	23.8	23%	0.23	11%	0.111	C	C	.	.	S	Bend	trans	-121.7	11.5	-177.1	-60.3	-84	0	0	0	113.6	D269 G308 Y340 E342 G377 T378	D269-N306 VanDerWaalsContact CG-N 3.35Å; D269-N306 WeakPolarHBondContact OD2-CA 3.34Å; D269-N306 WeakPolarHBondContact OD2-CB 3.19Å; D269-N306 PolarHBondContact OD2-N 2.82Å; N306-G308 VanDerWaalsContact C-N 3.26Å; N306-G308 PolarHBondContact O-N 2.75Å; N306-Y340 CarbonylContact C-O 3.6Å; N306-Y340 WeakPolarHBondContact CA-O 3.45Å; N306-E342 PolarHBondContact N-OE1 3.17Å; N306-E342 VanDerWaalsContact N-OE1 3.16Å; N306-G377 VanDerWaalsContact OD1-CA 3.28Å; N306-G377 WeakPolarHBondContact OD1-CA 3.39Å; N306-T378 PolarHBondContact ND2-OG1 3.23Å; N306-T378 PolarHBondContact OD1-N 3.17Å; N306-T378 PolarHBondContact OD1-OG1 2.88Å
307	G	97.8	Very high	98.1	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.01	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	9.7	-174.6	0	0	0	0	0	116.1	D269 R309 E310 K311 D312 Y340 E342	D269-G307 WeakPolarHBondContact O-CA 3.35Å; G307-R309 PolarHBondContact O-N 3.47Å; G307-R309 VanDerWaalsContact O-N 3.08Å; G307-E310 CarbonylContact O-C 3.54Å; G307-E310 PolarHBondContact O-N 3.47Å; G307-K311 PolarHBondContact O-N 3.48Å; G307-D312 PolarHBondContact O-N 2.69Å; G307-Y340 PolarHBondContact N-O 2.85Å; G307-E342 WeakPolarHBondContact CA-OE1 3.47Å; G307-E342 PolarHBondContact N-OE1 2.85Å
308	G	96.6	Very high	98	Very high	10 Å²	10	23 Å²	23	10%	0.103	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-23.5	-176.3	0	0	0	0	0	115.1	N306 K311 W339 Y340	N306-G308 VanDerWaalsContact C-N 3.26Å; N306-G308 PolarHBondContact O-N 2.75Å; G308-K311 PolarHBondContact O-NZ 3.23Å; G308-W339 CarbonylContact C-O 3.33Å; G308-W339 VanDerWaalsContact C-O 3.32Å; G308-Y340 WeakPolarHBondContact CA-O 3.24Å; G308-Y340 PolarHBondContact N-O 3.37Å
309	R	96.5	Very high	98	Very high	178 Å²	178	23.8 Å²	23.8	67%	0.672	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-48	171.5	-173.9	-177.1	171.8	173	-1.3	111.4	G307 K311 W339	G307-R309 PolarHBondContact O-N 3.47Å; G307-R309 VanDerWaalsContact O-N 3.08Å; R309-K311 PolarHBondContact O-N 3.09Å; R309-W339 HydrophobicContact CB-CE3 4.17Å; R309-W339 HydrophobicContact CB-CZ3 4.26Å; R309-W339 PolarHBondContact N-O 3.4Å
310	E	97.4	Very high	97.9	Very high	69 Å²	69	23.5 Å²	23.5	32%	0.322	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	7.3	-179.7	-46.6	-46.3	128.5	0	0	112.5	G307 D312 H532	G307-E310 CarbonylContact O-C 3.54Å; G307-E310 PolarHBondContact O-N 3.47Å; E310-D312 VanDerWaalsContact C-N 3.32Å; E310-D312 PolarHBondContact O-N 3.29Å; E310-H532 PolarHBondContact O-CD2 3.01Å; E310-H532 VanDerWaalsContact O-CD2 3.26Å
311	K	97	Very high	97.8	Very high	118 Å²	118	23.8 Å²	23.8	51%	0.513	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	41.3	179.2	-54.7	-63.3	161.4	-141.2	0	113	G307 G308 R309	G307-K311 PolarHBondContact O-N 3.48Å; G308-K311 PolarHBondContact O-NZ 3.23Å; R309-K311 PolarHBondContact O-N 3.09Å
312	D	98.1	Very high	97.8	Very high	18 Å²	18	24.5 Å²	24.5	10%	0.096	12%	0.118	C	C	.	.			trans	-73.3	165.8	170.1	-141.8	-22.7	0	0	0	112.8	D270 G271 G307 E310 E342 R530	D270-D312 PolarHBondContact N-OD2 2.91Å; G271-D312 VanDerWaalsContact CA-CG 3.5Å; G271-D312 VanDerWaalsContact CA-OD2 3.32Å; G271-D312 WeakPolarHBondContact CA-OD2 3.38Å; G271-D312 PolarHBondContact N-OD2 3.32Å; G307-D312 PolarHBondContact O-N 2.69Å; E310-D312 VanDerWaalsContact C-N 3.32Å; E310-D312 PolarHBondContact O-N 3.29Å; D312-E342 HydrophobicContact CB-CG 4.17Å; D312-R530 VanDerWaalsContact OD1-CD 3.24Å; D312-R530 WeakPolarHBondContact OD1-CD 3.34Å; D312-R530 IonicContact OD1-CZ 3.44Å; D312-R530 IonicContact OD1-NE 2.82Å; D312-R530 IonicContact OD1-NH1 2.81Å; D312-R530 PolarHBondContact OD1-NH1 3.41Å; D312-R530 IonicContact OD2-NH1 3.55Å
313	S	97.9	Very high	97.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.119	C	C	.	.			trans	-143.9	89	-171.1	169.8	0	0	0	0	108.6	N315 C316 H528	S313-N315 PolarHBondContact O-N 3.47Å; S313-C316 WeakPolarHBondContact O-CB 3.28Å; S313-C316 PolarHBondContact O-N 3.25Å; S313-H528 PolarHBondContact OG-N 2.78Å
314	C	98.2	Very high	97.8	Very high	1 Å²	1	27 Å²	27	1%	0.007	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-43.5	-9.9	-173.9	46.5	0	0	0	0	119.4	S304 C316 D317 T320 E342 C344	S304-C314 WeakPolarHBondContact O-CB 3.36Å; C314-C316 PolarHBondContact O-N 2.95Å; C314-D317 PolarHBondContact O-N 2.89Å; C314-T320 HydrophobicContact CB-CG2 3.74Å; C314-T320 WeakPolarHBondContact O-CG2 3.46Å; C314-E342 VanDerWaalsContact CA-OE2 3.3Å; C314-E342 WeakPolarHBondContact CA-OE2 3.41Å; C314-E342 HydrophobicContact CB-CB 3.95Å; C314-E342 WeakPolarHBondContact CB-OE2 3.48Å; C314-E342 PolarHBondContact N-OE2 2.91Å; C314-C344 VanDerWaalsContact C-SG 3.59Å; C314-C344 HydrophobicContact CB-CB 4.01Å; C314-C344 WeakPolarHBondContact CB-SG 3.48Å; C314-C344 WeakPolarHBondContact SG-CB 3.43Å; C314-C344 CovalentContact SG-SG 2.03Å; C314-C344 PolarHBondContact SG-SG 2.95Å
315	N	98.6	Very high	97.9	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-67.8	-10	161.4	-78	-9.5	0	0	0	113.8	S313 N321 C344 S345 S346 L526 W542 F544	S313-N315 PolarHBondContact O-N 3.47Å; N315-N321 PolarHBondContact OD1-OD1 3.14Å; N315-C344 HydrophobicContact CB-CB 4.14Å; N315-C344 VanDerWaalsContact N-CB 3.32Å; N315-C344 WeakPolarHBondContact OD1-CB 3.11Å; N315-S345 PolarHBondContact ND2-OG 2.84Å; N315-S346 VanDerWaalsContact OD1-CB 3.27Å; N315-S346 WeakPolarHBondContact OD1-CB 2.9Å; N315-S346 PolarHBondContact OD1-N 3.29Å; N315-S346 PolarHBondContact OD1-OG 2.97Å; N315-L526 VanDerWaalsContact CB-O 3.28Å; N315-L526 WeakPolarHBondContact CB-O 3.38Å; N315-L526 WeakPolarHBondContact ND2-CA 3.15Å; N315-L526 PolarHBondContact ND2-O 2.75Å; N315-W542 WeakPolarHBondContact O-CZ2 3.37Å; N315-W542 PolarHBondContact O-NE1 3Å; N315-F544 HydrophobicContact CB-CD1 4.07Å
316	C	98.6	Very high	98	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.014	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-85.4	-13.6	170.6	-71	0	0	0	0	113.3	V274 D275 S313 C314 W542	V274-C316 HydrophobicContact CG2-CB 4.1Å; D275-C316 PolarHBondContact N-O 3.21Å; S313-C316 WeakPolarHBondContact O-CB 3.28Å; S313-C316 PolarHBondContact O-N 3.25Å; C314-C316 PolarHBondContact O-N 2.95Å; C316-W542 WeakPolarHBondContact O-CZ2 3.46Å
317	D	98.5	Very high	98	Very high	15 Å²	15	24.8 Å²	24.8	8%	0.08	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-90.1	113	165.7	163.7	23.5	0	0	0	109.3	P267 C314 Y319 T320 N321	P267-D317 WeakPolarHBondContact CD-OD1 3.42Å; P267-D317 HydrophobicContact CG-CB 4.25Å; C314-D317 PolarHBondContact O-N 2.89Å; D317-Y319 VanDerWaalsContact C-N 3.28Å; D317-Y319 PolarHBondContact O-N 2.95Å; D317-Y319 WeakPolarHBondContact OD1-CB 3.35Å; D317-Y319 VanDerWaalsContact OD1-CD2 3.25Å; D317-Y319 WeakPolarHBondContact OD1-CD2 3.46Å; D317-Y319 PolarHBondContact OD1-N 2.99Å; D317-T320 HydrophobicContact CB-CG2 3.78Å; D317-T320 WeakPolarHBondContact OD2-CB 3.46Å; D317-T320 WeakPolarHBondContact OD2-CG2 3.47Å; D317-T320 PolarHBondContact OD2-N 3.15Å; D317-T320 VanDerWaalsContact OD2-N 3.08Å; D317-N321 WeakPolarHBondContact O-CB 3.37Å; D317-N321 PolarHBondContact O-N 3.46Å
318	G	98.1	Very high	98.1	Very high	12 Å²	12	24.7 Å²	24.7	12%	0.124	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-11.8	179.8	0	0	0	0	0	115.5	D275 P277	D275-G318 PolarHBondContact O-N 3.22Å; P277-G318 WeakPolarHBondContact CD-O 3.35Å
319	Y	98.4	Very high	98.2	Very high	15 Å²	15	24.2 Å²	24.2	6%	0.059	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-57.4	172.1	-58.9	-95.8	0	0	0	109.1	E247 W265 P277 F285 W302 D317 N321 S322 T325	E247-Y319 PolarHBondContact OE1-OH 3.39Å; E247-Y319 VanDerWaalsContact OE2-CE1 3.3Å; E247-Y319 WeakPolarHBondContact OE2-CE1 3.43Å; E247-Y319 VanDerWaalsContact OE2-CZ 3.31Å; E247-Y319 PolarHBondContact OE2-OH 3.18Å; W265-Y319 HydrophobicContact CE3-CE1 4.36Å; W265-Y319 HydrophobicContact CH2-CD1 4.38Å; W265-Y319 HydrophobicContact CH2-CE1 4.14Å; W265-Y319 AromaticContact CZ3-CD1 3.8Å; W265-Y319 HydrophobicContact CZ3-CD1 3.8Å; W265-Y319 AromaticContact CZ3-CE1 3.45Å; W265-Y319 HydrophobicContact CZ3-CE1 3.45Å; W265-Y319 VanDerWaalsContact CZ3-CE1 3.45Å; P277-Y319 WeakPolarHBondContact CA-OH 3.32Å; P277-Y319 HydrophobicContact CB-CD1 4.01Å; P277-Y319 HydrophobicContact CB-CE1 3.59Å; P277-Y319 HydrophobicContact CG-CD1 4.16Å; P277-Y319 HydrophobicContact CG-CE1 4.2Å; F285-Y319 AromaticContact CE2-CD1 3.99Å; F285-Y319 HydrophobicContact CE2-CD1 3.99Å; F285-Y319 HydrophobicContact CZ-CD1 4.18Å; W302-Y319 HydrophobicContact CH2-CD1 4.28Å; W302-Y319 AromaticContact CZ2-CD1 3.8Å; W302-Y319 HydrophobicContact CZ2-CD1 3.8Å; W302-Y319 HydrophobicContact CZ2-CG 4.09Å; D317-Y319 VanDerWaalsContact C-N 3.28Å; D317-Y319 PolarHBondContact O-N 2.95Å; D317-Y319 WeakPolarHBondContact OD1-CB 3.35Å; D317-Y319 VanDerWaalsContact OD1-CD2 3.25Å; D317-Y319 WeakPolarHBondContact OD1-CD2 3.46Å; D317-Y319 PolarHBondContact OD1-N 2.99Å; Y319-N321 VanDerWaalsContact C-N 3.33Å; Y319-N321 PolarHBondContact O-N 3.02Å; Y319-S322 WeakPolarHBondContact O-CB 3.3Å; Y319-S322 PolarHBondContact O-N 3.28Å; Y319-S322 VanDerWaalsContact O-N 3.12Å; Y319-T325 WeakPolarHBondContact O-CG2 3.5Å; Y319-T325 PolarHBondContact O-OG1 2.88Å
320	T	97.1	Very high	98.3	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-26.2	178.3	-154.3	0	0	0	0	113.7	A303 C314 D317 S322 S327	A303-T320 PolarHBondContact O-OG1 3.12Å; C314-T320 HydrophobicContact CB-CG2 3.74Å; C314-T320 WeakPolarHBondContact O-CG2 3.46Å; D317-T320 HydrophobicContact CB-CG2 3.78Å; D317-T320 WeakPolarHBondContact OD2-CB 3.46Å; D317-T320 WeakPolarHBondContact OD2-CG2 3.47Å; D317-T320 PolarHBondContact OD2-N 3.15Å; D317-T320 VanDerWaalsContact OD2-N 3.08Å; T320-S322 VanDerWaalsContact C-N 3.28Å; T320-S322 PolarHBondContact O-N 3.27Å; T320-S327 PolarHBondContact O-OG 3.23Å; T320-S327 VanDerWaalsContact OG1-CB 3.28Å; T320-S327 WeakPolarHBondContact OG1-CB 3.23Å; T320-S327 PolarHBondContact OG1-OG 2.88Å
321	N	97.3	Very high	98.3	Very high	7 Å²	7	12.5 Å²	12.5	4%	0.037	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-4.6	172.6	-179.6	74.9	0	0	0	113.8	N315 D317 Y319 A543 M545	N315-N321 PolarHBondContact OD1-OD1 3.14Å; D317-N321 WeakPolarHBondContact O-CB 3.37Å; D317-N321 PolarHBondContact O-N 3.46Å; Y319-N321 VanDerWaalsContact C-N 3.33Å; Y319-N321 PolarHBondContact O-N 3.02Å; N321-A543 PolarHBondContact ND2-O 3.31Å; N321-M545 VanDerWaalsContact O-CB 3.3Å; N321-M545 WeakPolarHBondContact O-CB 3.39Å; N321-M545 VanDerWaalsContact OD1-CB 3.24Å; N321-M545 WeakPolarHBondContact OD1-CB 3.48Å; N321-M545 PolarHBondContact OD1-N 2.87Å
322	S	98.6	Very high	98.4	Very high	15 Å²	15	7 Å²	7	11%	0.105	4%	0.037	C	C	.	.			trans	-66.4	147.1	176.9	-174.1	0	0	0	0	111.6	Y319 T320 Y324 T325 M545	Y319-S322 WeakPolarHBondContact O-CB 3.3Å; Y319-S322 PolarHBondContact O-N 3.28Å; Y319-S322 VanDerWaalsContact O-N 3.12Å; T320-S322 VanDerWaalsContact C-N 3.28Å; T320-S322 PolarHBondContact O-N 3.27Å; S322-Y324 PolarHBondContact O-N 2.81Å; S322-Y324 WeakPolarHBondContact OG-CD2 3.25Å; S322-Y324 PolarHBondContact OG-N 2.76Å; S322-T325 WeakPolarHBondContact CB-OG1 3.37Å; S322-T325 PolarHBondContact O-OG1 2.93Å; S322-T325 VanDerWaalsContact O-OG1 3.05Å; S322-M545 WeakPolarHBondContact O-CE 3.24Å
323	I	98.8	Very high	98.3	Very high	2 Å²	2	8.1 Å²	8.1	1%	0.01	4%	0.042	C	C	.	.	S	Bend	trans	-73.4	-21.8	171.4	67.1	173.1	0	0	0	111.9	W401 Q405 H497 M545 Y582	I323-W401 WeakPolarHBondContact O-CZ3 3.3Å; I323-Q405 PolarHBondContact O-NE2 3.01Å; I323-H497 HydrophobicContact CB-CB 4.25Å; I323-H497 HydrophobicContact CG2-CB 3.51Å; I323-H497 VanDerWaalsContact CG2-CG 3.49Å; I323-H497 PolarHBondContact O-NE2 2.92Å; I323-M545 HydrophobicContact CG2-CG 3.87Å; I323-Y582 HydrophobicContact CD1-CD1 3.81Å; I323-Y582 HydrophobicContact CD1-CD2 4.37Å; I323-Y582 HydrophobicContact CD1-CE1 3.46Å; I323-Y582 VanDerWaalsContact CD1-CE1 3.46Å; I323-Y582 HydrophobicContact CD1-CE2 4.08Å; I323-Y582 HydrophobicContact CD1-CG 4.23Å
324	Y	98.8	Very high	98.2	Very high	52 Å²	52	11.7 Å²	11.7	20%	0.204	6%	0.061	C	C	.	.	S	Bend	trans	-82.3	-16.6	-175.2	-53.2	-46.3	0	0	0	112.9	F285 V289 S322 W401	F285-Y324 HydrophobicContact CB-CD2 3.73Å; F285-Y324 HydrophobicContact CB-CG 4.32Å; V289-Y324 HydrophobicContact CB-CD1 4.35Å; V289-Y324 HydrophobicContact CG1-CD1 4.04Å; V289-Y324 HydrophobicContact CG1-CG 4.18Å; V289-Y324 HydrophobicContact CG2-CD1 3.56Å; V289-Y324 HydrophobicContact CG2-CE1 3.83Å; V289-Y324 HydrophobicContact CG2-CG 4.2Å; S322-Y324 PolarHBondContact O-N 2.81Å; S322-Y324 WeakPolarHBondContact OG-CD2 3.25Å; S322-Y324 PolarHBondContact OG-N 2.76Å; Y324-W401 AromaticContact CD1-CH2 3.95Å; Y324-W401 HydrophobicContact CD1-CH2 3.95Å; Y324-W401 HydrophobicContact CD1-CZ2 4.37Å; Y324-W401 HydrophobicContact CD1-CZ3 4.32Å; Y324-W401 HydrophobicContact CE1-CH2 4.34Å
325	T	98.8	Very high	98.1	Very high	2 Å²	2	11.8 Å²	11.8	1%	0.012	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	148.4	175.7	49.6	0	0	0	0	110.9	F285 F300 W302 Y319 S322 S327 Q405	F285-T325 HydrophobicContact CE1-CG2 3.72Å; F285-T325 HydrophobicContact CZ-CG2 3.99Å; F300-T325 HydrophobicContact CB-CG2 4.15Å; F300-T325 CarbonylContact O-C 3.46Å; F300-T325 WeakPolarHBondContact O-CA 3.43Å; W302-T325 HydrophobicContact CB-CG2 4.29Å; W302-T325 HydrophobicContact CD2-CG2 3.97Å; W302-T325 HydrophobicContact CE3-CG2 3.56Å; W302-T325 HydrophobicContact CG-CG2 4.29Å; W302-T325 HydrophobicContact CZ3-CG2 4.24Å; Y319-T325 WeakPolarHBondContact O-CG2 3.5Å; Y319-T325 PolarHBondContact O-OG1 2.88Å; S322-T325 WeakPolarHBondContact CB-OG1 3.37Å; S322-T325 PolarHBondContact O-OG1 2.93Å; S322-T325 VanDerWaalsContact O-OG1 3.05Å; T325-S327 PolarHBondContact OG1-OG 3.39Å; T325-Q405 PolarHBondContact O-NE2 2.03Å
326	L	98.9	Very high	98	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.01	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	90.8	173	-163.4	162.8	0	0	0	107	F300 W302 I328 L348 I389 M404 Q405 V408	F300-L326 WeakPolarHBondContact O-CB 3.48Å; F300-L326 PolarHBondContact O-N 2.74Å; W302-L326 PolarHBondContact N-O 3.35Å; W302-L326 VanDerWaalsContact N-O 3.08Å; L326-I328 HydrophobicContact CD2-CD1 3.59Å; L326-I328 HydrophobicContact CD2-CG1 3.95Å; L326-L348 HydrophobicContact CD2-CD1 4.5Å; L326-L348 HydrophobicContact CG-CD1 3.91Å; L326-I389 HydrophobicContact CD1-CD1 3.78Å; L326-I389 HydrophobicContact CD2-CD1 4.26Å; L326-M404 HydrophobicContact CD1-CG 4.01Å; L326-Q405 HydrophobicContact CD1-CG 4.04Å; L326-Q405 HydrophobicContact CG-CG 4.18Å; L326-V408 HydrophobicContact CD1-CG2 4.13Å; L326-V408 HydrophobicContact CD2-CG2 4.42Å
327	S	98.8	Very high	98	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.007	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	129.5	-168.3	-53.4	0	0	0	0	112.2	W302 T320 T325 L348	W302-S327 WeakPolarHBondContact O-CA 3.42Å; T320-S327 PolarHBondContact O-OG 3.23Å; T320-S327 VanDerWaalsContact OG1-CB 3.28Å; T320-S327 WeakPolarHBondContact OG1-CB 3.23Å; T320-S327 PolarHBondContact OG1-OG 2.88Å; T325-S327 PolarHBondContact OG1-OG 3.39Å; S327-L348 PolarHBondContact O-N 2.8Å
328	I	98.9	Very high	98	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	124.5	-169.3	-62.5	-66.9	0	0	0	110.6	V301 W302 S304 L326 A349 T351 A385 L440	V301-I328 HydrophobicContact CG1-CG1 4.1Å; W302-I328 PolarHBondContact O-N 2.98Å; S304-I328 PolarHBondContact N-O 3.17Å; L326-I328 HydrophobicContact CD2-CD1 3.59Å; L326-I328 HydrophobicContact CD2-CG1 3.95Å; I328-A349 HydrophobicContact CD1-CB 3.94Å; I328-T351 HydrophobicContact CG2-CG2 4.28Å; I328-A385 HydrophobicContact CB-CB 4.45Å; I328-A385 HydrophobicContact CD1-CB 3.87Å; I328-A385 HydrophobicContact CG1-CB 3.63Å; I328-A385 HydrophobicContact CG2-CB 4.2Å; I328-L440 HydrophobicContact CD1-CD1 4.15Å
329	S	98.7	Very high	97.9	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	177.4	171.7	-58.5	0	0	0	0	111.8	S304 T347 A349 T350 T351 S434	S304-S329 VanDerWaalsContact CB-OG 3.29Å; S304-S329 WeakPolarHBondContact CB-OG 3.47Å; S304-S329 WeakPolarHBondContact OG-CA 3.44Å; S304-S329 WeakPolarHBondContact OG-CB 3.42Å; S304-S329 PolarHBondContact OG-OG 3.39Å; S329-T347 WeakPolarHBondContact OG-CG2 3.33Å; S329-T347 PolarHBondContact OG-OG1 3.2Å; S329-A349 PolarHBondContact N-O 3.4Å; S329-T350 VanDerWaalsContact O-CA 3.29Å; S329-T350 WeakPolarHBondContact O-CA 3.26Å; S329-T351 PolarHBondContact O-N 2.93Å; S329-S434 WeakPolarHBondContact CB-O 3.27Å
330	S	98.6	Very high	97.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	149.9	-177.6	-67.4	0	0	0	0	113.5	P338 T351 S353 T378 S381	S330-P338 WeakPolarHBondContact O-CD 3.2Å; S330-T351 CarbonylContact C-O 3.53Å; S330-T351 WeakPolarHBondContact CA-O 3.1Å; S330-S353 WeakPolarHBondContact OG-CB 3.34Å; S330-T378 VanDerWaalsContact OG-CA 3.31Å; S330-T378 WeakPolarHBondContact OG-CA 3.4Å; S330-S381 WeakPolarHBondContact CB-OG 3.41Å; S330-S381 WeakPolarHBondContact OG-CB 3.17Å; S330-S381 PolarHBondContact OG-OG 2.86Å
331	T	98.4	Very high	97.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	148.5	159.2	-179.8	0	0	0	0	111.1	G335 N336 T350 T351 Y352 S353 L417 L439	T331-G335 VanDerWaalsContact OG1-CA 3.27Å; T331-G335 WeakPolarHBondContact OG1-CA 3.42Å; T331-N336 PolarHBondContact OG1-O 3.25Å; T331-T350 HydrophobicContact CG2-CG2 3.77Å; T331-T351 PolarHBondContact N-O 2.73Å; T331-Y352 HydrophobicContact CG2-CD1 3.45Å; T331-Y352 VanDerWaalsContact CG2-CD1 3.45Å; T331-Y352 HydrophobicContact CG2-CE1 3.66Å; T331-Y352 HydrophobicContact CG2-CG 4.12Å; T331-Y352 WeakPolarHBondContact O-CA 3.47Å; T331-S353 PolarHBondContact O-N 3.03Å; T331-L417 HydrophobicContact CG2-CD2 3.74Å; T331-L417 WeakPolarHBondContact OG1-CD2 3.4Å; T331-L439 HydrophobicContact CG2-CD1 3.8Å
332	T	98.1	Very high	97.9	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.012	11%	0.113	C	C	.	.			trans	-71.5	168	169.2	81.8	0	0	0	0	111.5	N334 G335 N336 P338 E359	T332-N334 PolarHBondContact O-N 3.01Å; T332-N334 PolarHBondContact OG1-N 3.45Å; T332-G335 PolarHBondContact O-N 3.07Å; T332-N336 HydrophobicContact CG2-CB 4.25Å; T332-N336 PolarHBondContact N-O 3.38Å; T332-N336 PolarHBondContact OG1-N 2.86Å; T332-P338 HydrophobicContact CG2-CB 4.06Å; T332-P338 HydrophobicContact CG2-CG 3.8Å; T332-E359 WeakPolarHBondContact CB-OE1 3.33Å; T332-E359 WeakPolarHBondContact CB-OE2 3.45Å; T332-E359 PolarHBondContact OG1-OE1 3.07Å; T332-E359 PolarHBondContact OG1-OE2 3.22Å
333	Q	96	Very high	97.9	Very high	42 Å²	42	23.5 Å²	23.5	20%	0.196	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-35	174.5	-172.5	-175	14.7	0	0	114.2	W133 G335 E359	W133-Q333 HydrophobicContact CD2-CG 4.14Å; W133-Q333 HydrophobicContact CE3-CB 4.38Å; W133-Q333 HydrophobicContact CE3-CG 3.81Å; W133-Q333 HydrophobicContact CH2-CB 3.62Å; W133-Q333 HydrophobicContact CH2-CG 3.99Å; W133-Q333 HydrophobicContact CZ2-CB 4Å; W133-Q333 HydrophobicContact CZ2-CG 4.34Å; W133-Q333 HydrophobicContact CZ3-CB 3.85Å; W133-Q333 HydrophobicContact CZ3-CG 3.73Å; Q333-G335 VanDerWaalsContact C-N 3.34Å; Q333-E359 HydrophobicContact CB-CB 4.14Å
334	N	95.3	Very high	97.9	Very high	75 Å²	75	23.4 Å²	23.4	40%	0.401	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-1.8	179.4	-68.9	-64	0	0	0	114.6	R141 T332 E359	R141-N334 PolarHBondContact NH1-O 3.11Å; T332-N334 PolarHBondContact O-N 3.01Å; T332-N334 PolarHBondContact OG1-N 3.45Å; N334-E359 WeakPolarHBondContact CB-OE1 3.35Å; N334-E359 PolarHBondContact N-OE1 3.34Å; N334-E359 VanDerWaalsContact N-OE1 3.1Å; N334-E359 WeakPolarHBondContact ND2-CG 3.27Å; N334-E359 PolarHBondContact ND2-OE1 3.22Å
335	G	96.3	Very high	97.9	Very high	3 Å²	3	21 Å²	21	3%	0.031	11%	0.106	C	C	.	.	S	Bend	trans	88.8	20.8	-177.8	0	0	0	0	0	114.1	T331 T332 Q333 H416 L418 Y435	T331-G335 VanDerWaalsContact OG1-CA 3.27Å; T331-G335 WeakPolarHBondContact OG1-CA 3.42Å; T332-G335 PolarHBondContact O-N 3.07Å; Q333-G335 VanDerWaalsContact C-N 3.34Å; G335-H416 WeakPolarHBondContact CA-O 3.18Å; G335-L418 WeakPolarHBondContact O-CB 3.24Å; G335-L418 PolarHBondContact O-N 2.74Å; G335-Y435 PolarHBondContact O-OH 2.84Å; G335-Y435 VanDerWaalsContact O-OH 3.06Å
336	N	97.9	Very high	97.9	Very high	64 Å²	64	20.9 Å²	20.9	34%	0.342	11%	0.106	S	C	.	.	B	Isolated β-bridge	trans	-94.1	161	177.8	-61	-65.8	0	0	0	111.4	T331 T332 P338 L418 Y435	T331-N336 PolarHBondContact OG1-O 3.25Å; T332-N336 HydrophobicContact CG2-CB 4.25Å; T332-N336 PolarHBondContact N-O 3.38Å; T332-N336 PolarHBondContact OG1-N 2.86Å; N336-P338 WeakPolarHBondContact O-CD 3.29Å; N336-L418 WeakPolarHBondContact OD1-CD1 3.32Å; N336-Y435 PolarHBondContact O-OH 3.36Å; N336-Y435 VanDerWaalsContact O-OH 3.06Å
337	V	98.3	Very high	97.9	Very high	55 Å²	55	20.8 Å²	20.8	33%	0.333	11%	0.106	S	C	.	.	P	Polyproline II helix	trans	-72.2	120.8	169.6	-177.7	0	0	0	0	108	Y435	V337-Y435 HydrophobicContact CG2-CE1 4.15Å; V337-Y435 HydrophobicContact CG2-CE2 3.92Å; V337-Y435 PolarHBondContact N-OH 2.81Å
338	P	97.6	Very high	97.9	Very high	5 Å²	5	20.9 Å²	20.9	3%	0.032	11%	0.106	C	C	.	.	P	Polyproline II helix	trans	-65.5	152.5	178.2	-18.7	30.8	0	0	0	112	S330 T332 N336 Y340 S341	S330-P338 WeakPolarHBondContact O-CD 3.2Å; T332-P338 HydrophobicContact CG2-CB 4.06Å; T332-P338 HydrophobicContact CG2-CG 3.8Å; N336-P338 WeakPolarHBondContact O-CD 3.29Å; P338-Y340 HydrophobicContact CB-CD1 3.89Å; P338-Y340 HydrophobicContact CB-CD2 4.26Å; P338-Y340 HydrophobicContact CB-CE1 3.41Å; P338-Y340 VanDerWaalsContact CB-CE1 3.41Å; P338-Y340 HydrophobicContact CB-CE2 3.81Å; P338-Y340 HydrophobicContact CB-CG 4.29Å; P338-Y340 HydrophobicContact CG-CE1 4.33Å; P338-Y340 HydrophobicContact CG-CE2 4.18Å; P338-Y340 PolarHBondContact O-N 2.85Å; P338-Y340 VanDerWaalsContact O-N 3.12Å; P338-S341 PolarHBondContact O-N 3.31Å
339	W	96.9	Very high	97.9	Very high	148 Å²	148	20.9 Å²	20.9	56%	0.561	11%	0.106	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-23.2	-176.7	63	-96.2	0	0	0	114.7	G308 R309	G308-W339 CarbonylContact C-O 3.33Å; G308-W339 VanDerWaalsContact C-O 3.32Å; R309-W339 HydrophobicContact CB-CE3 4.17Å; R309-W339 HydrophobicContact CB-CZ3 4.26Å; R309-W339 PolarHBondContact N-O 3.4Å
340	Y	97.1	Very high	97.9	Very high	5 Å²	5	20.9 Å²	20.9	2%	0.02	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-16.9	177.6	55.1	-98.1	0	0	0	113.1	N306 G307 G308 P338 E342 S353 S354 G377 T378	N306-Y340 CarbonylContact C-O 3.6Å; N306-Y340 WeakPolarHBondContact CA-O 3.45Å; G307-Y340 PolarHBondContact N-O 2.85Å; G308-Y340 WeakPolarHBondContact CA-O 3.24Å; G308-Y340 PolarHBondContact N-O 3.37Å; P338-Y340 HydrophobicContact CB-CD1 3.89Å; P338-Y340 HydrophobicContact CB-CD2 4.26Å; P338-Y340 HydrophobicContact CB-CE1 3.41Å; P338-Y340 VanDerWaalsContact CB-CE1 3.41Å; P338-Y340 HydrophobicContact CB-CE2 3.81Å; P338-Y340 HydrophobicContact CB-CG 4.29Å; P338-Y340 HydrophobicContact CG-CE1 4.33Å; P338-Y340 HydrophobicContact CG-CE2 4.18Å; P338-Y340 PolarHBondContact O-N 2.85Å; P338-Y340 VanDerWaalsContact O-N 3.12Å; Y340-E342 PolarHBondContact O-N 3.26Å; Y340-S353 WeakPolarHBondContact OH-CB 3.4Å; Y340-S353 PolarHBondContact OH-OG 3.05Å; Y340-S354 WeakPolarHBondContact CE1-OG 3.42Å; Y340-S354 PolarHBondContact OH-N 3.29Å; Y340-S354 PolarHBondContact OH-O 3.43Å; Y340-S354 PolarHBondContact OH-OG 2.91Å; Y340-G377 VanDerWaalsContact CE2-C 3.43Å; Y340-G377 VanDerWaalsContact CE2-CA 3.45Å; Y340-T378 HydrophobicContact CD2-CG2 4.09Å; Y340-T378 HydrophobicContact CE2-CG2 3.97Å
341	S	97.7	Very high	97.9	Very high	11 Å²	11	20.9 Å²	20.9	8%	0.077	11%	0.106	C	C	.	.			trans	-69.6	131	-172.7	-165.6	0	0	0	0	111.2	P338	P338-S341 PolarHBondContact O-N 3.31Å
342	E	98.4	Very high	97.9	Very high	3 Å²	3	21.1 Å²	21.1	1%	0.014	11%	0.107	C	C	.	.			trans	-83.4	160.3	170.2	-66.2	175.1	-133.9	0	0	111.4	G305 N306 G307 D312 C314 Y340	G305-E342 VanDerWaalsContact C-OE1 3.25Å; G305-E342 VanDerWaalsContact CA-OE1 3.28Å; G305-E342 WeakPolarHBondContact CA-OE1 3.45Å; N306-E342 PolarHBondContact N-OE1 3.17Å; N306-E342 VanDerWaalsContact N-OE1 3.16Å; G307-E342 WeakPolarHBondContact CA-OE1 3.47Å; G307-E342 PolarHBondContact N-OE1 2.85Å; D312-E342 HydrophobicContact CB-CG 4.17Å; C314-E342 VanDerWaalsContact CA-OE2 3.3Å; C314-E342 WeakPolarHBondContact CA-OE2 3.41Å; C314-E342 HydrophobicContact CB-CB 3.95Å; C314-E342 WeakPolarHBondContact CB-OE2 3.48Å; C314-E342 PolarHBondContact N-OE2 2.91Å; Y340-E342 PolarHBondContact O-N 3.26Å
343	A	98.3	Very high	97.9	Very high	22 Å²	22	21 Å²	21	18%	0.182	11%	0.106	C	C	.	.			trans	-126.5	124.4	179	0	0	0	0	0	110.5	H433 H528	A343-H433 CarbonylContact C-O 3.58Å; A343-H433 VanDerWaalsContact CA-O 3.27Å; A343-H433 WeakPolarHBondContact CA-O 3.38Å; A343-H433 HydrophobicContact CB-CB 4.12Å; A343-H528 PolarHBondContact O-CE1 2.67Å; A343-H528 VanDerWaalsContact O-CE1 3.22Å; A343-H528 PolarHBondContact O-ND1 3.27Å
344	C	98.2	Very high	98	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.098	C	C	.	.			trans	-156.5	164.3	179.4	59	0	0	0	0	110.9	C314 N315 S346 H433	C314-C344 VanDerWaalsContact C-SG 3.59Å; C314-C344 HydrophobicContact CB-CB 4.01Å; C314-C344 WeakPolarHBondContact CB-SG 3.48Å; C314-C344 WeakPolarHBondContact SG-CB 3.43Å; C314-C344 CovalentContact SG-SG 2.03Å; C314-C344 PolarHBondContact SG-SG 2.95Å; N315-C344 HydrophobicContact CB-CB 4.14Å; N315-C344 VanDerWaalsContact N-CB 3.32Å; N315-C344 WeakPolarHBondContact OD1-CB 3.11Å; C344-S346 VanDerWaalsContact C-N 3.32Å; C344-S346 PolarHBondContact O-N 3.08Å; C344-S346 PolarHBondContact SG-OG 2.93Å; C344-H433 PolarHBondContact N-O 2.95Å; C344-H433 WeakPolarHBondContact O-CA 3.36Å; C344-H433 VanDerWaalsContact O-O 3.11Å
345	S	98.8	Very high	98	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.083	C	C	.	.	S	Bend	trans	-80.6	-7.7	-176.6	56.2	0	0	0	0	114.9	N315 T525 M545 T546 T547 H548	N315-S345 PolarHBondContact ND2-OG 2.84Å; S345-T525 PolarHBondContact OG-O 3.03Å; S345-M545 CarbonylContact C-O 3.54Å; S345-M545 PolarHBondContact OG-O 3.04Å; S345-T546 VanDerWaalsContact O-CA 3.32Å; S345-T546 WeakPolarHBondContact O-CA 3.48Å; S345-T547 PolarHBondContact O-N 3.21Å; S345-T547 PolarHBondContact O-OG1 3.26Å; S345-H548 PolarHBondContact O-CD2 2.87Å
346	S	98.7	Very high	97.7	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.007	11%	0.107	C	C	.	.	S	Bend	trans	-80.9	-27.4	178.8	57	0	0	0	0	113.8	N315 C344 L348 M545 T547	N315-S346 VanDerWaalsContact OD1-CB 3.27Å; N315-S346 WeakPolarHBondContact OD1-CB 2.9Å; N315-S346 PolarHBondContact OD1-N 3.29Å; N315-S346 PolarHBondContact OD1-OG 2.97Å; C344-S346 VanDerWaalsContact C-N 3.32Å; C344-S346 PolarHBondContact O-N 3.08Å; C344-S346 PolarHBondContact SG-OG 2.93Å; S346-L348 PolarHBondContact O-N 3.23Å; S346-M545 VanDerWaalsContact CB-CE 3.49Å; S346-M545 PolarHBondContact N-O 3.06Å; S346-T547 VanDerWaalsContact O-CG2 3.26Å; S346-T547 WeakPolarHBondContact O-CG2 3.36Å
347	T	98.8	Very high	97.3	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.133	C	C	.	.			trans	-53.4	130.7	177.9	-66.4	0	0	0	0	111.6	S329 A349 G436 T547	S329-T347 WeakPolarHBondContact OG-CG2 3.33Å; S329-T347 PolarHBondContact OG-OG1 3.2Å; T347-A349 WeakPolarHBondContact CG2-O 3.36Å; T347-G436 WeakPolarHBondContact O-CA 3.36Å; T347-T547 PolarHBondContact O-OG1 3.48Å
348	L	98.8	Very high	97	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.01	16%	0.158	C	C	.	.			trans	-92.4	-41.7	177.9	-84.1	171.5	0	0	0	113	L326 S327 S346 Q405 V408 V409 Y437 T547 W550	L326-L348 HydrophobicContact CD2-CD1 4.5Å; L326-L348 HydrophobicContact CG-CD1 3.91Å; S327-L348 PolarHBondContact O-N 2.8Å; S346-L348 PolarHBondContact O-N 3.23Å; L348-Q405 HydrophobicContact CD1-CB 3.98Å; L348-Q405 HydrophobicContact CD1-CG 3.71Å; L348-V408 HydrophobicContact CB-CG1 4.26Å; L348-V409 HydrophobicContact CD2-CG2 3.73Å; L348-Y437 PolarHBondContact O-N 3.05Å; L348-T547 HydrophobicContact CD2-CG2 3.65Å; L348-T547 HydrophobicContact CG-CG2 3.98Å; L348-W550 HydrophobicContact CD2-CE3 4.3Å; L348-W550 HydrophobicContact CD2-CZ3 4.08Å
349	A	98.8	Very high	96.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	-171	-174.1	0	0	0	0	0	112.1	I328 S329 T347 V408 Y435 G438 L440	I328-A349 HydrophobicContact CD1-CB 3.94Å; S329-A349 PolarHBondContact N-O 3.4Å; T347-A349 WeakPolarHBondContact CG2-O 3.36Å; A349-V408 HydrophobicContact CB-CG1 3.48Å; A349-V408 VanDerWaalsContact CB-CG1 3.48Å; A349-Y435 CarbonylContact C-O 3.6Å; A349-Y435 WeakPolarHBondContact CA-O 3.46Å; A349-G438 WeakPolarHBondContact CA-O 3.42Å; A349-G438 WeakPolarHBondContact CB-O 3.45Å; A349-L440 HydrophobicContact CB-CD2 3.66Å; A349-L440 HydrophobicContact CB-CG 4.11Å
350	T	98.8	Very high	96.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	150	-175.8	-74.7	0	0	0	0	111.9	S329 T331 Y435 G438 L439 L440	S329-T350 VanDerWaalsContact O-CA 3.29Å; S329-T350 WeakPolarHBondContact O-CA 3.26Å; T331-T350 HydrophobicContact CG2-CG2 3.77Å; T350-Y435 HydrophobicContact CG2-CD1 3.84Å; T350-Y435 HydrophobicContact CG2-CE1 4.23Å; T350-Y435 VanDerWaalsContact OG1-CA 3.28Å; T350-Y435 WeakPolarHBondContact OG1-CA 3.49Å; T350-Y435 PolarHBondContact OG1-O 2.82Å; T350-G438 PolarHBondContact N-O 2.65Å; T350-L439 HydrophobicContact CG2-CD1 4.41Å; T350-L439 CarbonylContact O-C 3.54Å; T350-L439 WeakPolarHBondContact O-CA 3.47Å; T350-L440 PolarHBondContact O-N 2.56Å
351	T	98.8	Very high	96.8	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	175.4	163.7	63.8	0	0	0	0	109.9	L143 I328 S329 S330 T331 S381 L384 A385 L440	L143-T351 HydrophobicContact CD2-CG2 4.07Å; I328-T351 HydrophobicContact CG2-CG2 4.28Å; S329-T351 PolarHBondContact O-N 2.93Å; S330-T351 CarbonylContact C-O 3.53Å; S330-T351 WeakPolarHBondContact CA-O 3.1Å; T331-T351 PolarHBondContact N-O 2.73Å; T351-S381 PolarHBondContact O-OG 2.77Å; T351-S381 VanDerWaalsContact OG1-C 3.26Å; T351-S381 WeakPolarHBondContact OG1-CA 3.46Å; T351-S381 WeakPolarHBondContact OG1-CB 3.49Å; T351-S381 PolarHBondContact OG1-O 3.16Å; T351-S381 PolarHBondContact OG1-OG 3.22Å; T351-L384 HydrophobicContact CG2-CB 4.3Å; T351-A385 HydrophobicContact CG2-CB 3.96Å; T351-L440 HydrophobicContact CG2-CB 4.23Å; T351-L440 HydrophobicContact CG2-CD1 3.71Å; T351-L440 HydrophobicContact CG2-CG 4.11Å
352	Y	98.6	Very high	96.8	Very high	6 Å²	6	30.3 Å²	30.3	2%	0.024	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	153.2	174.4	-70.6	-72.2	0	0	0	111.6	W133 L143 T331 S381 L384 L439	W133-Y352 AromaticContact CH2-CD1 3.39Å; W133-Y352 HydrophobicContact CH2-CD1 3.39Å; W133-Y352 HydrophobicContact CH2-CE1 4.26Å; W133-Y352 AromaticContact CH2-CG 3.57Å; W133-Y352 HydrophobicContact CH2-CG 3.57Å; W133-Y352 AromaticContact CZ3-CD1 3.3Å; W133-Y352 HydrophobicContact CZ3-CD1 3.3Å; W133-Y352 HydrophobicContact CZ3-CD2 4.08Å; W133-Y352 AromaticContact CZ3-CE1 3.78Å; W133-Y352 HydrophobicContact CZ3-CE1 3.78Å; W133-Y352 HydrophobicContact CZ3-CE2 4.48Å; W133-Y352 AromaticContact CZ3-CG 3.48Å; W133-Y352 HydrophobicContact CZ3-CG 3.48Å; W133-Y352 VanDerWaalsContact CZ3-CG 3.48Å; L143-Y352 HydrophobicContact CD2-CD2 3.97Å; L143-Y352 HydrophobicContact CD2-CE2 4.38Å; L143-Y352 HydrophobicContact CG-CD2 4Å; T331-Y352 HydrophobicContact CG2-CD1 3.45Å; T331-Y352 VanDerWaalsContact CG2-CD1 3.45Å; T331-Y352 HydrophobicContact CG2-CE1 3.66Å; T331-Y352 HydrophobicContact CG2-CG 4.12Å; T331-Y352 WeakPolarHBondContact O-CA 3.47Å; Y352-S381 PolarHBondContact O-OG 3.42Å; Y352-S381 VanDerWaalsContact O-OG 3.06Å; Y352-L384 WeakPolarHBondContact O-CD1 3.17Å; Y352-L439 HydrophobicContact CD2-CD1 4.1Å; Y352-L439 HydrophobicContact CE2-CD1 3.88Å; Y352-L439 HydrophobicContact CE2-CD2 3.59Å; Y352-L439 HydrophobicContact CE2-CG 4.34Å; Y352-L439 WeakPolarHBondContact OH-CD2 3.35Å
353	S	98.5	Very high	96.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.16	C	C	.	.			trans	-151.8	-156.7	163.3	-175.5	0	0	0	0	108.7	S330 T331 Y340 G377 S381	S330-S353 WeakPolarHBondContact OG-CB 3.34Å; T331-S353 PolarHBondContact O-N 3.03Å; Y340-S353 WeakPolarHBondContact OH-CB 3.4Å; Y340-S353 PolarHBondContact OH-OG 3.05Å; S353-G377 WeakPolarHBondContact CB-O 3.41Å; S353-G377 PolarHBondContact OG-N 3.13Å; S353-G377 PolarHBondContact OG-O 3.35Å; S353-S381 WeakPolarHBondContact CB-OG 3.41Å
354	S	97.3	Very high	96.8	Very high	4 Å²	4	29.7 Å²	29.7	3%	0.028	15%	0.152	C	C	.	.			trans	-67.5	163.7	174.5	61.6	0	0	0	0	113.4	Y340 T376 G377	Y340-S354 WeakPolarHBondContact CE1-OG 3.42Å; Y340-S354 PolarHBondContact OH-N 3.29Å; Y340-S354 PolarHBondContact OH-O 3.43Å; Y340-S354 PolarHBondContact OH-OG 2.91Å; S354-T376 WeakPolarHBondContact OG-CA 3.35Å; S354-T376 VanDerWaalsContact OG-CB 3.28Å; S354-T376 WeakPolarHBondContact OG-CB 3.44Å; S354-G377 PolarHBondContact OG-N 3.46Å
355	G	94.9	Very high	96.8	Very high	7 Å²	7	29.7 Å²	29.7	7%	0.072	15%	0.152	C	C	.	.			trans	-141.6	-134.5	172.1	0	0	0	0	0	111.8	E359	G355-E359 WeakPolarHBondContact CA-OE2 3.39Å
356	N	91.3	Very high	96.8	Very high	100 Å²	100	30.7 Å²	30.7	54%	0.535	16%	0.158	S	C	.	.	S	Bend	trans	-70.7	167.8	174.4	-67.7	-25.4	0	0	0	111.7	N358 E359	N356-N358 PolarHBondContact O-N 3.4Å; N356-E359 PolarHBondContact N-OE2 2.74Å; N356-E359 WeakPolarHBondContact O-CB 3.19Å; N356-E359 PolarHBondContact O-N 3.02Å
357	I	88.1	Confident	96.7	Very high	175 Å²	175	30.8 Å²	30.8	90%	0.897	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-27.5	-178.1	-59.8	170.7	0	0	0	113.1	E359	I357-E359 VanDerWaalsContact C-N 3.33Å
358	N	92.5	Very high	96.7	Very high	159 Å²	159	34.9 Å²	34.9	85%	0.85	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-1.6	178.4	-62.6	-28.8	0	0	0	114	N356	N356-N358 PolarHBondContact O-N 3.4Å
359	E	94	Very high	96.6	Very high	13 Å²	13	37.6 Å²	37.6	6%	0.061	20%	0.195	C	C	.	.	S	Bend	trans	-107.7	142.5	-178	-61	-176.5	105.5	0	0	110.2	T332 Q333 N334 G355 N356 I357	T332-E359 WeakPolarHBondContact CB-OE1 3.33Å; T332-E359 WeakPolarHBondContact CB-OE2 3.45Å; T332-E359 PolarHBondContact OG1-OE1 3.07Å; T332-E359 PolarHBondContact OG1-OE2 3.22Å; Q333-E359 HydrophobicContact CB-CB 4.14Å; N334-E359 WeakPolarHBondContact CB-OE1 3.35Å; N334-E359 PolarHBondContact N-OE1 3.34Å; N334-E359 VanDerWaalsContact N-OE1 3.1Å; N334-E359 WeakPolarHBondContact ND2-CG 3.27Å; N334-E359 PolarHBondContact ND2-OE1 3.22Å; G355-E359 WeakPolarHBondContact CA-OE2 3.39Å; N356-E359 PolarHBondContact N-OE2 2.74Å; N356-E359 WeakPolarHBondContact O-CB 3.19Å; N356-E359 PolarHBondContact O-N 3.02Å; I357-E359 VanDerWaalsContact C-N 3.33Å
360	K	95.2	Very high	96.6	Very high	85 Å²	85	43.1 Å²	43.1	37%	0.37	22%	0.219	S	C	.	.			trans	-63.5	149.5	176.3	-68.9	-169.4	170.3	-160.6	0	111	D131 W133	D131-K360 IonicContact OD1-NZ 2.63Å; W133-K360 HydrophobicContact CB-CD 4.1Å; W133-K360 VanDerWaalsContact CD1-CB 3.48Å; W133-K360 VanDerWaalsContact CD1-CD 3.48Å; W133-K360 HydrophobicContact CD2-CB 4.37Å; W133-K360 HydrophobicContact CG-CB 4.15Å; W133-K360 HydrophobicContact CG-CD 3.83Å; W133-K360 HydrophobicContact CZ2-CB 4.5Å
361	Q	97.5	Very high	96.6	Very high	59 Å²	59	45.5 Å²	45.5	28%	0.276	24%	0.235	S	C	.	.			trans	-105.4	-173.9	176.6	-60.1	-174	-16.4	0	0	110	W133 S374 T376	W133-Q361 PolarHBondContact NE1-O 3.49Å; Q361-S374 VanDerWaalsContact OE1-CB 3.29Å; Q361-T376 HydrophobicContact CG-CG2 4.27Å
362	I	98.4	Very high	96.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	141.9	179.4	-65.2	-51.8	0	0	0	110.9	Y134 E212 T364 D373 S374 H375 A380 L384	Y134-I362 HydrophobicContact CD1-CD1 3.51Å; Y134-I362 HydrophobicContact CD2-CD1 4.41Å; Y134-I362 HydrophobicContact CE1-CD1 3.58Å; Y134-I362 HydrophobicContact CE1-CG2 4.48Å; Y134-I362 HydrophobicContact CE2-CD1 4.45Å; Y134-I362 HydrophobicContact CG-CD1 3.96Å; E212-I362 VanDerWaalsContact CD-CG2 3.49Å; E212-I362 HydrophobicContact CG-CG2 3.93Å; E212-I362 WeakPolarHBondContact OE2-CG2 3.23Å; I362-T364 HydrophobicContact CG2-CG2 4.4Å; I362-D373 CarbonylContact O-C 3.59Å; I362-S374 PolarHBondContact O-N 3.25Å; I362-H375 HydrophobicContact CB-CB 4.04Å; I362-H375 WeakPolarHBondContact CB-O 3.28Å; I362-H375 HydrophobicContact CG2-CB 4.1Å; I362-H375 PolarHBondContact N-O 2.95Å; I362-H375 PolarHBondContact O-N 2.91Å; I362-H375 VanDerWaalsContact O-N 3.17Å; I362-A380 HydrophobicContact CB-CB 4.29Å; I362-A380 HydrophobicContact CG1-CB 3.86Å; I362-A380 HydrophobicContact CG2-CB 4.38Å; I362-L384 HydrophobicContact CD1-CD1 3.94Å
363	I	98.6	Very high	96.4	Very high	10 Å²	10	49.6 Å²	49.6	5%	0.051	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	115.7	-175.4	-49	-173.4	0	0	0	109.9	K128 D131 Q132 Y134 T372 D373	K128-I363 HydrophobicContact CB-CG2 3.93Å; K128-I363 HydrophobicContact CD-CG2 4.43Å; K128-I363 HydrophobicContact CG-CG2 4.27Å; D131-I363 HydrophobicContact CB-CD1 3.28Å; D131-I363 WeakPolarHBondContact O-CD1 3.31Å; Q132-I363 HydrophobicContact CG-CB 3.99Å; Q132-I363 HydrophobicContact CG-CG2 4.44Å; Q132-I363 PolarHBondContact NE2-O 3.39Å; Q132-I363 VanDerWaalsContact NE2-O 3.09Å; Y134-I363 PolarHBondContact OH-N 3.02Å; Y134-I363 PolarHBondContact OH-O 3.12Å; I363-T372 CarbonylContact C-O 3.53Å; I363-T372 VanDerWaalsContact CA-O 3.23Å; I363-T372 WeakPolarHBondContact CA-O 3.15Å; I363-T372 WeakPolarHBondContact CG2-O 3.34Å; I363-D373 HydrophobicContact CD1-CB 4.11Å; I363-D373 HydrophobicContact CG1-CB 3.9Å; I363-D373 HydrophobicContact CG2-CB 4.35Å
364	T	98.8	Very high	96.3	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.012	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	177.4	-170	-172.3	0	0	0	0	111.4	R208 G211 E212 C222 I362 T372 H375	R208-T364 HydrophobicContact CB-CG2 3.72Å; R208-T364 HydrophobicContact CG-CG2 4.06Å; R208-T364 WeakPolarHBondContact O-CG2 3.47Å; R208-T364 PolarHBondContact O-OG1 3.25Å; G211-T364 WeakPolarHBondContact CA-OG1 3.1Å; E212-T364 HydrophobicContact CG-CG2 4.18Å; E212-T364 PolarHBondContact N-OG1 3.27Å; C222-T364 VanDerWaalsContact SG-C 3.56Å; C222-T364 PolarHBondContact SG-O 3.4Å; C222-T364 VanDerWaalsContact SG-O 3.33Å; I362-T364 HydrophobicContact CG2-CG2 4.4Å; T364-T372 HydrophobicContact CG2-CG2 3.78Å; T364-T372 PolarHBondContact N-O 2.93Å; T364-T372 PolarHBondContact O-N 3.45Å; T364-H375 HydrophobicContact CG2-CB 4.1Å
365	T	98.7	Very high	96.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	151.2	172.4	50.3	0	0	0	0	111.3	H171 D173 L174 T207 R208 G211 A215	H171-T365 WeakPolarHBondContact CE1-CG2 3.49Å; D173-T365 HydrophobicContact CB-CG2 3.7Å; L174-T365 HydrophobicContact CD2-CG2 4.2Å; L174-T365 HydrophobicContact CG-CG2 4.24Å; T207-T365 PolarHBondContact O-OG1 3.28Å; R208-T365 WeakPolarHBondContact CA-O 3.31Å; R208-T365 VanDerWaalsContact CG-O 3.23Å; R208-T365 WeakPolarHBondContact CG-O 3.28Å; G211-T365 VanDerWaalsContact CA-OG1 3.22Å; G211-T365 WeakPolarHBondContact CA-OG1 3.49Å; G211-T365 PolarHBondContact N-OG1 3.32Å; A215-T365 HydrophobicContact CB-CG2 4.2Å
366	D	98.6	Very high	96.5	Very high	22 Å²	22	54.9 Å²	54.9	12%	0.118	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	156.6	-179.4	-162.2	16.3	0	0	0	111.1	R208 K370 T372	R208-D366 IonicContact CZ-OD1 3.94Å; R208-D366 IonicContact CZ-OD2 2.96Å; R208-D366 IonicContact NE-OD1 3.83Å; R208-D366 PolarHBondContact NE-OD1 3.46Å; R208-D366 IonicContact NE-OD2 3.43Å; R208-D366 VanDerWaalsContact NH2-CG 3.3Å; R208-D366 IonicContact NH2-OD1 3.74Å; R208-D366 PolarHBondContact NH2-OD1 3.01Å; R208-D366 IonicContact NH2-OD2 3.7Å; R208-D366 PolarHBondContact NH2-OD2 3.33Å; D366-K370 HydrophobicContact CB-CB 3.97Å; D366-K370 PolarHBondContact N-O 2.93Å; D366-K370 PolarHBondContact O-N 3.45Å; D366-T372 HydrophobicContact CB-CG2 4.08Å
367	L	96.7	Very high	96.7	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.016	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	146.7	-174.5	-165	72.6	0	0	0	112	E168 P195 Y197 N201 N203 R204	E168-L367 HydrophobicContact CB-CD1 4.45Å; P195-L367 HydrophobicContact CB-CD1 3.82Å; P195-L367 HydrophobicContact CG-CD1 3.89Å; Y197-L367 HydrophobicContact CD1-CD1 4.05Å; Y197-L367 HydrophobicContact CD1-CD2 3.82Å; Y197-L367 HydrophobicContact CD1-CG 3.81Å; Y197-L367 HydrophobicContact CE1-CD1 3.65Å; Y197-L367 HydrophobicContact CE1-CD2 4.27Å; Y197-L367 HydrophobicContact CE1-CG 3.74Å; N201-L367 HydrophobicContact CB-CD2 4.15Å; N203-L367 WeakPolarHBondContact O-CD2 3.36Å; R204-L367 HydrophobicContact CB-CB 3.84Å; R204-L367 HydrophobicContact CB-CD2 4.44Å
368	K	97.3	Very high	97	Very high	86 Å²	86	42 Å²	42	37%	0.374	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	40	-173	-55	166.7	-179	166.8	0	111.8	E168 Y197 T198 N201 K370	E168-K368 WeakPolarHBondContact OE1-CA 3.38Å; E168-K368 PolarHBondContact OE1-N 2.83Å; Y197-K368 HydrophobicContact CD1-CD 4.4Å; Y197-K368 HydrophobicContact CD1-CG 3.69Å; Y197-K368 HydrophobicContact CE1-CG 3.8Å; T198-K368 PolarHBondContact O-NZ 2.94Å; N201-K368 VanDerWaalsContact OD1-CE 3.24Å; N201-K368 WeakPolarHBondContact OD1-CE 3.38Å; N201-K368 PolarHBondContact OD1-NZ 2.76Å; K368-K370 PolarHBondContact O-N 2.84Å
369	S	97.4	Very high	97	Very high	58 Å²	58	35.1 Å²	35.1	41%	0.406	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	45.9	178.2	-59.7	0	0	0	0	114	E168 H171	E168-S369 PolarHBondContact OE1-N 3.04Å; E168-S369 WeakPolarHBondContact OE2-CA 3.48Å; E168-S369 WeakPolarHBondContact OE2-CB 3.19Å; E168-S369 PolarHBondContact OE2-N 3.01Å; E168-S369 PolarHBondContact OE2-OG 3.15Å; H171-S369 VanDerWaalsContact CD2-CA 3.5Å; H171-S369 WeakPolarHBondContact CD2-CA 3.49Å
370	K	98.3	Very high	97.2	Very high	117 Å²	117	34.5 Å²	34.5	51%	0.509	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	173.2	-174.8	-76	-178	-177.6	179.8	0	112.2	H171 D366 K368	H171-K370 PolarHBondContact NE2-N 2.97Å; H171-K370 PolarHBondContact NE2-O 3.34Å; D366-K370 HydrophobicContact CB-CB 3.97Å; D366-K370 PolarHBondContact N-O 2.93Å; D366-K370 PolarHBondContact O-N 3.45Å; K368-K370 PolarHBondContact O-N 2.84Å
371	C	98.3	Very high	97.4	Very high	50 Å²	50	30.4 Å²	30.4	34%	0.338	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	128.7	169.2	-170.3	0	0	0	0	107.3	C222	C222-C371 WeakPolarHBondContact CA-SG 3.37Å; C222-C371 HydrophobicContact CB-CB 3.57Å; C222-C371 WeakPolarHBondContact CB-SG 3.42Å; C222-C371 WeakPolarHBondContact SG-CB 3.44Å; C222-C371 CovalentContact SG-SG 2.04Å; C222-C371 PolarHBondContact SG-SG 2.98Å
372	T	98.3	Very high	97.4	Very high	7 Å²	7	27.6 Å²	27.6	4%	0.043	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	146.1	173.8	-170.5	0	0	0	0	110.1	R208 I363 T364 D366 S374 H375	R208-T372 HydrophobicContact CG-CG2 4.09Å; R208-T372 PolarHBondContact NH2-OG1 3.06Å; I363-T372 CarbonylContact C-O 3.53Å; I363-T372 VanDerWaalsContact CA-O 3.23Å; I363-T372 WeakPolarHBondContact CA-O 3.15Å; I363-T372 WeakPolarHBondContact CG2-O 3.34Å; T364-T372 HydrophobicContact CG2-CG2 3.78Å; T364-T372 PolarHBondContact N-O 2.93Å; T364-T372 PolarHBondContact O-N 3.45Å; D366-T372 HydrophobicContact CB-CG2 4.08Å; T372-S374 PolarHBondContact OG1-N 2.92Å; T372-S374 VanDerWaalsContact OG1-N 3.1Å; T372-S374 PolarHBondContact OG1-OG 3.17Å; T372-H375 HydrophobicContact CG2-CB 4.29Å
373	D	96.7	Very high	97.4	Very high	85 Å²	85	27.7 Å²	27.7	46%	0.455	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	19.1	165	46.5	21.2	0	0	0	112.3	K128 I362 I363	K128-D373 IonicContact NZ-OD2 2.72Å; K128-D373 PolarHBondContact NZ-OD2 2.87Å; I362-D373 CarbonylContact O-C 3.59Å; I363-D373 HydrophobicContact CD1-CB 4.11Å; I363-D373 HydrophobicContact CG1-CB 3.9Å; I363-D373 HydrophobicContact CG2-CB 4.35Å
374	S	96.4	Very high	97.5	Very high	55 Å²	55	27.2 Å²	27.2	39%	0.385	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	50.1	-176.4	46.2	0	0	0	0	112.8	R208 Q361 I362 T372	R208-S374 PolarHBondContact NH1-O 2.53Å; Q361-S374 VanDerWaalsContact OE1-CB 3.29Å; I362-S374 PolarHBondContact O-N 3.25Å; T372-S374 PolarHBondContact OG1-N 2.92Å; T372-S374 VanDerWaalsContact OG1-N 3.1Å; T372-S374 PolarHBondContact OG1-OG 3.17Å
375	H	97.8	Very high	97.5	Very high	5 Å²	5	27.1 Å²	27.1	2%	0.023	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	143.8	161.9	-168.3	33.2	0	0	0	110.5	H205 E212 I362 T364 T372	H205-H375 AromaticContact CD2-CE1 3.77Å; H205-H375 AromaticContact NE2-CE1 3.52Å; E212-H375 IonicContact OE1-CD2 3.79Å; E212-H375 PolarHBondContact OE1-CD2 3.45Å; E212-H375 IonicContact OE1-NE2 2.67Å; E212-H375 PolarHBondContact OE1-NE2 3.27Å; I362-H375 HydrophobicContact CB-CB 4.04Å; I362-H375 WeakPolarHBondContact CB-O 3.28Å; I362-H375 HydrophobicContact CG2-CB 4.1Å; I362-H375 PolarHBondContact N-O 2.95Å; I362-H375 PolarHBondContact O-N 2.91Å; I362-H375 VanDerWaalsContact O-N 3.17Å; T364-H375 HydrophobicContact CG2-CB 4.1Å; T372-H375 HydrophobicContact CG2-CB 4.29Å
376	T	97	Very high	97.5	Very high	61 Å²	61	27.1 Å²	27.1	37%	0.374	15%	0.152	S	C	.	.			trans	-154.6	161.4	-157.6	61.5	0	0	0	0	111.1	S354 Q361	S354-T376 WeakPolarHBondContact OG-CA 3.35Å; S354-T376 VanDerWaalsContact OG-CB 3.28Å; S354-T376 WeakPolarHBondContact OG-CB 3.44Å; Q361-T376 HydrophobicContact CG-CG2 4.27Å
377	G	95.3	Very high	97.5	Very high	6 Å²	6	26 Å²	26	6%	0.062	15%	0.147	C	C	.	.	S	Bend	trans	92.8	170.8	176.4	0	0	0	0	0	112.9	N306 Y340 S353 S354 S379 A380	N306-G377 VanDerWaalsContact OD1-CA 3.28Å; N306-G377 WeakPolarHBondContact OD1-CA 3.39Å; Y340-G377 VanDerWaalsContact CE2-C 3.43Å; Y340-G377 VanDerWaalsContact CE2-CA 3.45Å; S353-G377 WeakPolarHBondContact CB-O 3.41Å; S353-G377 PolarHBondContact OG-N 3.13Å; S353-G377 PolarHBondContact OG-O 3.35Å; S354-G377 PolarHBondContact OG-N 3.46Å; G377-S379 PolarHBondContact O-N 2.91Å; G377-A380 PolarHBondContact O-N 2.58Å
378	T	94.7	Very high	97.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-63.8	-22.3	173.3	51.9	0	0	0	0	112.2	A303 G305 N306 S330 Y340 A380 S381 A382	A303-T378 WeakPolarHBondContact CB-O 3.47Å; G305-T378 VanDerWaalsContact C-OG1 3.29Å; G305-T378 WeakPolarHBondContact O-CB 3.23Å; G305-T378 WeakPolarHBondContact O-CG2 3.3Å; G305-T378 PolarHBondContact O-OG1 3.22Å; N306-T378 PolarHBondContact ND2-OG1 3.23Å; N306-T378 PolarHBondContact OD1-N 3.17Å; N306-T378 PolarHBondContact OD1-OG1 2.88Å; S330-T378 VanDerWaalsContact OG-CA 3.31Å; S330-T378 WeakPolarHBondContact OG-CA 3.4Å; Y340-T378 HydrophobicContact CD2-CG2 4.09Å; Y340-T378 HydrophobicContact CE2-CG2 3.97Å; T378-A380 PolarHBondContact O-N 3.5Å; T378-S381 WeakPolarHBondContact O-CA 3.23Å; T378-S381 WeakPolarHBondContact O-CB 3.23Å; T378-S381 PolarHBondContact O-N 2.56Å; T378-A382 PolarHBondContact O-N 3.3Å
379	S	93.4	Very high	97.7	Very high	13 Å²	13	21.8 Å²	21.8	9%	0.091	13%	0.128	C	C	.	.	H	α-helix	trans	-59	-27.9	173.5	-42.9	0	0	0	0	114.5	H205 S264 G377 P383	H205-S379 WeakPolarHBondContact NE2-CB 3.31Å; S264-S379 WeakPolarHBondContact OG-CB 3.37Å; G377-S379 PolarHBondContact O-N 2.91Å; S379-P383 WeakPolarHBondContact O-CD 3.39Å; S379-P383 WeakPolarHBondContact O-CG 3.44Å
380	A	97.8	Very high	97.8	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-84.4	-18.2	171.3	0	0	0	0	0	112.7	I362 G377 T378 L384	I362-A380 HydrophobicContact CB-CB 4.29Å; I362-A380 HydrophobicContact CG1-CB 3.86Å; I362-A380 HydrophobicContact CG2-CB 4.38Å; G377-A380 PolarHBondContact O-N 2.58Å; T378-A380 PolarHBondContact O-N 3.5Å; A380-L384 WeakPolarHBondContact O-CG 3.36Å
381	S	98.8	Very high	97.8	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-77.2	-35.7	178.8	-77	0	0	0	0	113.3	S330 T351 Y352 S353 T378 A385	S330-S381 WeakPolarHBondContact CB-OG 3.41Å; S330-S381 WeakPolarHBondContact OG-CB 3.17Å; S330-S381 PolarHBondContact OG-OG 2.86Å; T351-S381 PolarHBondContact O-OG 2.77Å; T351-S381 VanDerWaalsContact OG1-C 3.26Å; T351-S381 WeakPolarHBondContact OG1-CA 3.46Å; T351-S381 WeakPolarHBondContact OG1-CB 3.49Å; T351-S381 PolarHBondContact OG1-O 3.16Å; T351-S381 PolarHBondContact OG1-OG 3.22Å; Y352-S381 PolarHBondContact O-OG 3.42Å; Y352-S381 VanDerWaalsContact O-OG 3.06Å; S353-S381 WeakPolarHBondContact CB-OG 3.41Å; T378-S381 WeakPolarHBondContact O-CA 3.23Å; T378-S381 WeakPolarHBondContact O-CB 3.23Å; T378-S381 PolarHBondContact O-N 2.56Å; S381-A385 PolarHBondContact O-N 3.3Å
382	A	98.7	Very high	97.8	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-65.2	-44.7	178.7	0	0	0	0	0	113.9	V301 A303 T378 L384 A385 A386	V301-A382 HydrophobicContact CG1-CB 4.17Å; V301-A382 WeakPolarHBondContact CG1-O 3.26Å; A303-A382 HydrophobicContact CB-CB 4.18Å; T378-A382 PolarHBondContact O-N 3.3Å; A382-L384 PolarHBondContact O-N 3.01Å; A382-A385 WeakPolarHBondContact O-CB 3.38Å; A382-A385 PolarHBondContact O-N 2.77Å; A382-A385 VanDerWaalsContact O-N 3.1Å; A382-A386 PolarHBondContact O-N 3.06Å
383	P	98.9	Very high	97.8	Very high	1 Å²	1	10.8 Å²	10.8	1%	0.006	7%	0.066	C	C	.	.	H	α-helix	trans	-58.7	-41.4	174.4	-27.2	35.6	0	0	0	113.6	C209 E212 V213 S379 A385 A386 G387	C209-P383 HydrophobicContact CB-CB 4.19Å; C209-P383 HydrophobicContact CB-CG 3.55Å; E212-P383 HydrophobicContact CB-CB 3.86Å; V213-P383 HydrophobicContact CG2-CB 4.05Å; V213-P383 WeakPolarHBondContact CG2-O 3.35Å; S379-P383 WeakPolarHBondContact O-CD 3.39Å; S379-P383 WeakPolarHBondContact O-CG 3.44Å; P383-A385 VanDerWaalsContact C-N 3.29Å; P383-A385 PolarHBondContact O-N 3.42Å; P383-A386 PolarHBondContact O-N 3.08Å; P383-G387 PolarHBondContact O-N 2.84Å
384	L	98.9	Very high	97.9	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-60.8	-40.2	174.6	-64.7	172.9	0	0	0	111.6	Y134 L143 E212 V226 T351 Y352 I362 A380 A382 G387 I388	Y134-L384 HydrophobicContact CD2-CD1 3.97Å; Y134-L384 HydrophobicContact CD2-CD2 3.77Å; Y134-L384 HydrophobicContact CE2-CD1 4.25Å; Y134-L384 HydrophobicContact CE2-CD2 3.49Å; Y134-L384 VanDerWaalsContact CE2-CD2 3.49Å; L143-L384 HydrophobicContact CD1-CB 4.03Å; L143-L384 HydrophobicContact CD1-CD1 4.16Å; L143-L384 HydrophobicContact CD1-CD2 4.5Å; L143-L384 HydrophobicContact CD1-CG 4.47Å; E212-L384 HydrophobicContact CB-CD2 3.99Å; E212-L384 HydrophobicContact CB-CG 4.48Å; E212-L384 HydrophobicContact CG-CD2 4.42Å; E212-L384 WeakPolarHBondContact OE2-CG 3.22Å; V226-L384 HydrophobicContact CG2-CD2 3.74Å; T351-L384 HydrophobicContact CG2-CB 4.3Å; Y352-L384 WeakPolarHBondContact O-CD1 3.17Å; I362-L384 HydrophobicContact CD1-CD1 3.94Å; A380-L384 WeakPolarHBondContact O-CG 3.36Å; A382-L384 PolarHBondContact O-N 3.01Å; L384-G387 PolarHBondContact O-N 3.11Å; L384-I388 WeakPolarHBondContact O-CG1 3.29Å; L384-I388 PolarHBondContact O-N 3.03Å
385	A	98.9	Very high	98	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-67	-43.3	174.5	0	0	0	0	0	112.3	V301 I328 T351 S381 A382 P383 G387 I388 I389 L440	V301-A385 HydrophobicContact CG1-CB 4.01Å; I328-A385 HydrophobicContact CB-CB 4.45Å; I328-A385 HydrophobicContact CD1-CB 3.87Å; I328-A385 HydrophobicContact CG1-CB 3.63Å; I328-A385 HydrophobicContact CG2-CB 4.2Å; T351-A385 HydrophobicContact CG2-CB 3.96Å; S381-A385 PolarHBondContact O-N 3.3Å; A382-A385 WeakPolarHBondContact O-CB 3.38Å; A382-A385 PolarHBondContact O-N 2.77Å; A382-A385 VanDerWaalsContact O-N 3.1Å; P383-A385 VanDerWaalsContact C-N 3.29Å; P383-A385 PolarHBondContact O-N 3.42Å; A385-G387 VanDerWaalsContact C-N 3.29Å; A385-G387 PolarHBondContact O-N 3.45Å; A385-I388 WeakPolarHBondContact O-CB 3.49Å; A385-I388 PolarHBondContact O-N 2.79Å; A385-I388 VanDerWaalsContact O-N 3.11Å; A385-I389 WeakPolarHBondContact O-CB 3.44Å; A385-I389 WeakPolarHBondContact O-CD1 3.49Å; A385-I389 VanDerWaalsContact O-CG1 3.23Å; A385-I389 WeakPolarHBondContact O-CG1 3.38Å; A385-I389 PolarHBondContact O-N 3.1Å; A385-L440 HydrophobicContact CB-CD1 3.5Å
386	A	98.9	Very high	98.1	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-58.5	-40.6	174.9	0	0	0	0	0	111.8	V160 V213 I260 V301 A382 P383 I389 A390	V160-A386 HydrophobicContact CG1-CB 4.38Å; V213-A386 HydrophobicContact CG2-CB 4.36Å; I260-A386 HydrophobicContact CG2-CB 3.96Å; V301-A386 HydrophobicContact CB-CB 4.34Å; V301-A386 HydrophobicContact CG2-CB 4.13Å; A382-A386 PolarHBondContact O-N 3.06Å; P383-A386 PolarHBondContact O-N 3.08Å; A386-I389 PolarHBondContact O-N 2.92Å; A386-A390 PolarHBondContact O-N 3.39Å
387	G	98.9	Very high	98.1	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-62	-44.4	171.6	0	0	0	0	0	113.3	V226 P383 L384 A385 I389 A390 L391	V226-G387 VanDerWaalsContact CG1-C 3.46Å; P383-G387 PolarHBondContact O-N 2.84Å; L384-G387 PolarHBondContact O-N 3.11Å; A385-G387 VanDerWaalsContact C-N 3.29Å; A385-G387 PolarHBondContact O-N 3.45Å; G387-I389 VanDerWaalsContact C-N 3.34Å; G387-I389 PolarHBondContact O-N 3.27Å; G387-A390 WeakPolarHBondContact O-CB 3.31Å; G387-A390 PolarHBondContact O-N 2.82Å; G387-L391 WeakPolarHBondContact O-CG 3.34Å; G387-L391 PolarHBondContact O-N 3.14Å; G387-L391 VanDerWaalsContact O-N 3.17Å
388	I	98.9	Very high	98.3	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-61.6	-42.9	175.5	-70.9	175.1	0	0	0	111.3	L143 V226 L384 A385 A390 L391 A392 L440 A442 I445	L143-I388 HydrophobicContact CB-CD1 4.02Å; L143-I388 HydrophobicContact CD1-CD1 4.19Å; L143-I388 HydrophobicContact CD2-CD1 4.22Å; L143-I388 HydrophobicContact CG-CD1 4.35Å; V226-I388 HydrophobicContact CG1-CG1 3.88Å; L384-I388 WeakPolarHBondContact O-CG1 3.29Å; L384-I388 PolarHBondContact O-N 3.03Å; A385-I388 WeakPolarHBondContact O-CB 3.49Å; A385-I388 PolarHBondContact O-N 2.79Å; A385-I388 VanDerWaalsContact O-N 3.11Å; I388-A390 VanDerWaalsContact C-N 3.28Å; I388-A390 PolarHBondContact O-N 3.11Å; I388-L391 WeakPolarHBondContact O-CB 3.29Å; I388-L391 PolarHBondContact O-N 3.35Å; I388-L391 VanDerWaalsContact O-N 3.12Å; I388-A392 PolarHBondContact O-N 3.13Å; I388-A392 VanDerWaalsContact O-N 3.12Å; I388-L440 HydrophobicContact CD1-CB 3.66Å; I388-L440 HydrophobicContact CD1-CD1 4.09Å; I388-A442 HydrophobicContact CD1-CB 4.48Å; I388-A442 HydrophobicContact CG1-CB 4.1Å; I388-A442 HydrophobicContact CG2-CB 4.33Å; I388-I445 HydrophobicContact CG2-CG2 3.61Å
389	I	98.9	Very high	98.5	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62.7	-37.1	177.1	-70.7	162.8	0	0	0	110.4	I260 I299 V301 L326 A385 A386 G387 L391 A392 L393 M404	I260-I389 HydrophobicContact CD1-CB 4.09Å; I260-I389 HydrophobicContact CD1-CG2 3.53Å; I260-I389 HydrophobicContact CG1-CG2 4.01Å; I299-I389 HydrophobicContact CD1-CG2 4.18Å; I299-I389 HydrophobicContact CG2-CD1 4.47Å; I299-I389 HydrophobicContact CG2-CG2 4.03Å; V301-I389 HydrophobicContact CG2-CD1 3.55Å; L326-I389 HydrophobicContact CD1-CD1 3.78Å; L326-I389 HydrophobicContact CD2-CD1 4.26Å; A385-I389 WeakPolarHBondContact O-CB 3.44Å; A385-I389 WeakPolarHBondContact O-CD1 3.49Å; A385-I389 VanDerWaalsContact O-CG1 3.23Å; A385-I389 WeakPolarHBondContact O-CG1 3.38Å; A385-I389 PolarHBondContact O-N 3.1Å; A386-I389 PolarHBondContact O-N 2.92Å; G387-I389 VanDerWaalsContact C-N 3.34Å; G387-I389 PolarHBondContact O-N 3.27Å; I389-L391 VanDerWaalsContact C-N 3.35Å; I389-L391 PolarHBondContact O-N 3.29Å; I389-A392 WeakPolarHBondContact O-CB 3.32Å; I389-A392 PolarHBondContact O-N 3.28Å; I389-A392 VanDerWaalsContact O-N 3.15Å; I389-L393 PolarHBondContact O-N 3.39Å; I389-M404 HydrophobicContact CB-SD 4.29Å; I389-M404 HydrophobicContact CD1-CG 4.49Å; I389-M404 HydrophobicContact CG1-CG 4.1Å; I389-M404 HydrophobicContact CG1-SD 4.04Å; I389-M404 HydrophobicContact CG2-CE 3.89Å; I389-M404 HydrophobicContact CG2-CG 3.85Å; I389-M404 HydrophobicContact CG2-SD 3.85Å
390	A	98.9	Very high	98.7	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-63.2	-37.6	172.9	0	0	0	0	0	112.7	V158 V160 A227 I260 A386 G387 I388 A392 L393 E394	V158-A390 HydrophobicContact CB-CB 4.12Å; V158-A390 HydrophobicContact CG1-CB 3.72Å; V158-A390 WeakPolarHBondContact CG2-O 3.31Å; V160-A390 HydrophobicContact CG2-CB 4.22Å; A227-A390 HydrophobicContact CB-CB 3.84Å; I260-A390 HydrophobicContact CD1-CB 3.83Å; A386-A390 PolarHBondContact O-N 3.39Å; G387-A390 WeakPolarHBondContact O-CB 3.31Å; G387-A390 PolarHBondContact O-N 2.82Å; I388-A390 VanDerWaalsContact C-N 3.28Å; I388-A390 PolarHBondContact O-N 3.11Å; A390-A392 VanDerWaalsContact C-N 3.32Å; A390-A392 PolarHBondContact O-N 2.83Å; A390-L393 PolarHBondContact O-N 2.99Å; A390-E394 PolarHBondContact O-N 3.02Å
391	L	98.9	Very high	98.8	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-62.4	-40.7	172.3	-53.9	-175.4	0	0	0	111.4	A148 T154 G155 V226 A227 G387 I388 I389 E394 A395 A442 V446	A148-L391 HydrophobicContact CB-CD1 3.77Å; T154-L391 VanDerWaalsContact C-CD2 3.43Å; G155-L391 VanDerWaalsContact N-CD2 3.28Å; V226-L391 HydrophobicContact CG1-CD1 4.01Å; V226-L391 HydrophobicContact CG1-CG 4.41Å; A227-L391 HydrophobicContact CB-CD2 4.11Å; G387-L391 WeakPolarHBondContact O-CG 3.34Å; G387-L391 PolarHBondContact O-N 3.14Å; G387-L391 VanDerWaalsContact O-N 3.17Å; I388-L391 WeakPolarHBondContact O-CB 3.29Å; I388-L391 PolarHBondContact O-N 3.35Å; I388-L391 VanDerWaalsContact O-N 3.12Å; I389-L391 VanDerWaalsContact C-N 3.35Å; I389-L391 PolarHBondContact O-N 3.29Å; L391-E394 PolarHBondContact O-N 3.08Å; L391-A395 PolarHBondContact O-N 3.5Å; L391-A395 VanDerWaalsContact O-N 3.16Å; L391-A442 HydrophobicContact CD1-CB 4.2Å; L391-V446 HydrophobicContact CB-CG2 3.64Å
392	A	98.8	Very high	98.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-67	-38.7	177.2	0	0	0	0	0	113	I388 I389 A390 A395 N396 M404 I445 A449	I388-A392 PolarHBondContact O-N 3.13Å; I388-A392 VanDerWaalsContact O-N 3.12Å; I389-A392 WeakPolarHBondContact O-CB 3.32Å; I389-A392 PolarHBondContact O-N 3.28Å; I389-A392 VanDerWaalsContact O-N 3.15Å; A390-A392 VanDerWaalsContact C-N 3.32Å; A390-A392 PolarHBondContact O-N 2.83Å; A392-A395 WeakPolarHBondContact O-CB 3.43Å; A392-A395 PolarHBondContact O-N 3.03Å; A392-N396 PolarHBondContact O-N 3.27Å; A392-M404 HydrophobicContact CB-CE 3.92Å; A392-M404 HydrophobicContact CB-SD 4.02Å; A392-I445 HydrophobicContact CB-CD1 4.3Å; A392-I445 HydrophobicContact CB-CG1 4.17Å; A392-I445 HydrophobicContact CB-CG2 4.27Å; A392-A449 HydrophobicContact CB-CB 4.47Å
393	L	98.9	Very high	98.8	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-69.9	-32.2	175.4	-71.8	-174.1	0	0	0	113.4	V158 D259 I260 I299 I389 A390 A395 N396 K397 L399 M404	V158-L393 HydrophobicContact CG1-CB 4.42Å; V158-L393 HydrophobicContact CG1-CD1 4.13Å; V158-L393 HydrophobicContact CG2-CB 3.76Å; D259-L393 HydrophobicContact CB-CD1 3.73Å; I260-L393 HydrophobicContact CD1-CD1 3.86Å; I260-L393 HydrophobicContact CG1-CD1 3.8Å; I299-L393 HydrophobicContact CD1-CD1 3.96Å; I299-L393 HydrophobicContact CD1-CD2 3.98Å; I299-L393 HydrophobicContact CD1-CG 4.29Å; I389-L393 PolarHBondContact O-N 3.39Å; A390-L393 PolarHBondContact O-N 2.99Å; L393-A395 VanDerWaalsContact C-N 3.27Å; L393-N396 CarbonylContact O-C 3.56Å; L393-K397 WeakPolarHBondContact O-CA 3.26Å; L393-K397 WeakPolarHBondContact O-CD 3.37Å; L393-K397 VanDerWaalsContact O-CG 3.3Å; L393-K397 WeakPolarHBondContact O-CG 3.49Å; L393-K397 PolarHBondContact O-N 2.91Å; L393-K397 VanDerWaalsContact O-N 3.14Å; L393-L399 HydrophobicContact CD2-CB 4.11Å; L393-L399 HydrophobicContact CD2-CD1 4.43Å; L393-M404 HydrophobicContact CD2-CE 3.49Å; L393-M404 VanDerWaalsContact CD2-CE 3.49Å; L393-M404 HydrophobicContact CG-CE 3.79Å
394	E	98.8	Very high	98.8	Very high	46 Å²	46	16.2 Å²	16.2	22%	0.215	8%	0.082	C	C	.	.	H	α-helix	trans	-64.8	-36.5	168.8	-173.4	-175.3	179	0	0	110.8	Y153 T154 G155 K156 V158 A390 L391	Y153-E394 WeakPolarHBondContact CA-OE2 3.49Å; Y153-E394 HydrophobicContact CD1-CB 4.22Å; Y153-E394 HydrophobicContact CD1-CG 3.97Å; T154-E394 PolarHBondContact N-OE2 2.68Å; G155-E394 WeakPolarHBondContact CA-OE2 3.4Å; G155-E394 PolarHBondContact N-OE2 3.08Å; K156-E394 WeakPolarHBondContact CB-OE1 3.42Å; K156-E394 VanDerWaalsContact N-CD 3.27Å; K156-E394 PolarHBondContact N-OE2 3.1Å; V158-E394 HydrophobicContact CG2-CB 4.36Å; A390-E394 PolarHBondContact O-N 3.02Å; L391-E394 PolarHBondContact O-N 3.08Å
395	A	98.6	Very high	98.8	Very high	18 Å²	18	16.4 Å²	16.4	15%	0.149	8%	0.083	C	C	.	.	H	α-helix	trans	-70.7	-33.4	178.1	0	0	0	0	0	113.8	Y153 L391 A392 L393 V446 A449 K450	Y153-A395 HydrophobicContact CD1-CB 3.84Å; Y153-A395 VanDerWaalsContact CE1-CA 3.41Å; Y153-A395 HydrophobicContact CE1-CB 3.66Å; Y153-A395 HydrophobicContact CE2-CB 4.43Å; Y153-A395 HydrophobicContact CG-CB 4.33Å; L391-A395 PolarHBondContact O-N 3.5Å; L391-A395 VanDerWaalsContact O-N 3.16Å; A392-A395 WeakPolarHBondContact O-CB 3.43Å; A392-A395 PolarHBondContact O-N 3.03Å; L393-A395 VanDerWaalsContact C-N 3.27Å; A395-V446 HydrophobicContact CB-CG1 4.06Å; A395-A449 HydrophobicContact CB-CB 4.22Å; A395-K450 HydrophobicContact CB-CG 4.06Å
396	N	98.6	Very high	98.8	Very high	27 Å²	27	16.5 Å²	16.5	14%	0.144	8%	0.083	C	C	.	.			trans	-150.9	101.6	171.9	-176.7	-4.6	0	0	0	110.9	A392 L393 N398 L399 A449	A392-N396 PolarHBondContact O-N 3.27Å; L393-N396 CarbonylContact O-C 3.56Å; N396-N398 PolarHBondContact O-N 2.89Å; N396-N398 WeakPolarHBondContact OD1-CB 3.45Å; N396-N398 PolarHBondContact OD1-N 3.39Å; N396-L399 HydrophobicContact CB-CD1 4.06Å; N396-L399 HydrophobicContact CB-CD2 4.42Å; N396-L399 HydrophobicContact CB-CG 3.9Å; N396-L399 WeakPolarHBondContact O-CD1 3.45Å; N396-L399 VanDerWaalsContact O-CG 3.29Å; N396-L399 WeakPolarHBondContact O-CG 3.28Å; N396-L399 PolarHBondContact O-N 3.36Å; N396-A449 HydrophobicContact CB-CB 4.27Å; N396-A449 WeakPolarHBondContact CB-O 3.12Å; N396-A449 PolarHBondContact ND2-O 3.44Å
397	K	98.1	Very high	98.8	Very high	75 Å²	75	16.5 Å²	16.5	33%	0.326	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-20.4	179.8	-82.2	-70.2	-175.7	159.6	0	114.2	G157 D259 R293 L296 L393 L399	G157-K397 WeakPolarHBondContact O-CE 3.09Å; G157-K397 PolarHBondContact O-NZ 3.12Å; D259-K397 IonicContact OD1-NZ 3.16Å; D259-K397 IonicContact OD2-NZ 3.84Å; D259-K397 PolarHBondContact OD2-NZ 3.42Å; R293-K397 PolarHBondContact NH2-O 3.02Å; L296-K397 VanDerWaalsContact CD1-O 3.31Å; L296-K397 WeakPolarHBondContact CD1-O 3.27Å; L393-K397 WeakPolarHBondContact O-CA 3.26Å; L393-K397 WeakPolarHBondContact O-CD 3.37Å; L393-K397 VanDerWaalsContact O-CG 3.3Å; L393-K397 WeakPolarHBondContact O-CG 3.49Å; L393-K397 PolarHBondContact O-N 2.91Å; L393-K397 VanDerWaalsContact O-N 3.14Å; K397-L399 VanDerWaalsContact C-N 3.29Å; K397-L399 PolarHBondContact O-N 2.65Å
398	N	98.4	Very high	98.8	Very high	108 Å²	108	16.5 Å²	16.5	58%	0.578	8%	0.083	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-0	-176.5	-59.8	-19.6	0	0	0	113.4	L296 N396 T400 N454	L296-N398 WeakPolarHBondContact CD2-O 3.02Å; N396-N398 PolarHBondContact O-N 2.89Å; N396-N398 WeakPolarHBondContact OD1-CB 3.45Å; N396-N398 PolarHBondContact OD1-N 3.39Å; N398-T400 PolarHBondContact O-N 2.92Å; N398-N454 PolarHBondContact O-ND2 2.81Å
399	L	98.8	Very high	98.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.085	C	C	.	.			trans	-63	128.4	176.8	-64.8	170.9	0	0	0	110.7	R293 L393 N396 K397 D403 M404 L407 A449 W452	R293-L399 PolarHBondContact NH1-O 3.48Å; L393-L399 HydrophobicContact CD2-CB 4.11Å; L393-L399 HydrophobicContact CD2-CD1 4.43Å; N396-L399 HydrophobicContact CB-CD1 4.06Å; N396-L399 HydrophobicContact CB-CD2 4.42Å; N396-L399 HydrophobicContact CB-CG 3.9Å; N396-L399 WeakPolarHBondContact O-CD1 3.45Å; N396-L399 VanDerWaalsContact O-CG 3.29Å; N396-L399 WeakPolarHBondContact O-CG 3.28Å; N396-L399 PolarHBondContact O-N 3.36Å; K397-L399 VanDerWaalsContact C-N 3.29Å; K397-L399 PolarHBondContact O-N 2.65Å; L399-D403 HydrophobicContact CB-CB 4.16Å; L399-D403 HydrophobicContact CD2-CB 3.81Å; L399-M404 HydrophobicContact CB-CE 4.39Å; L399-M404 HydrophobicContact CD1-CE 3.68Å; L399-L407 HydrophobicContact CD1-CD1 3.56Å; L399-L407 HydrophobicContact CD2-CD1 3.75Å; L399-L407 HydrophobicContact CG-CD1 4.3Å; L399-A449 HydrophobicContact CD1-CB 3.95Å; L399-W452 HydrophobicContact CD2-CB 4.02Å; L399-W452 VanDerWaalsContact CD2-CD1 3.45Å; L399-W452 HydrophobicContact CD2-CG 3.87Å
400	T	98.9	Very high	98.7	Very high	27 Å²	27	21.3 Å²	21.3	17%	0.166	10%	0.102	C	C	.	.			trans	-75.7	167.1	168.9	67.3	0	0	0	0	111.6	L296 N398 R402 D403 M404	L296-T400 HydrophobicContact CD2-CG2 4.05Å; L296-T400 CarbonylContact O-C 3.56Å; L296-T400 WeakPolarHBondContact O-CA 3.45Å; L296-T400 VanDerWaalsContact O-CB 3.29Å; L296-T400 WeakPolarHBondContact O-CB 3.37Å; N398-T400 PolarHBondContact O-N 2.92Å; T400-R402 PolarHBondContact O-N 3.27Å; T400-D403 VanDerWaalsContact CB-OD2 3.31Å; T400-D403 WeakPolarHBondContact CB-OD2 3.36Å; T400-D403 WeakPolarHBondContact CG2-OD2 3.45Å; T400-D403 PolarHBondContact N-OD2 2.74Å; T400-D403 WeakPolarHBondContact O-CB 3.31Å; T400-D403 PolarHBondContact O-N 2.72Å; T400-D403 VanDerWaalsContact O-N 3.13Å; T400-D403 PolarHBondContact OG1-N 2.92Å; T400-D403 VanDerWaalsContact OG1-N 3.13Å; T400-D403 PolarHBondContact OG1-OD2 3.26Å; T400-M404 PolarHBondContact O-N 3.03Å; T400-M404 VanDerWaalsContact O-N 3.08Å
401	W	98.8	Very high	98.7	Very high	25 Å²	25	21.9 Å²	21.9	10%	0.095	11%	0.106	C	C	.	.	H	α-helix	trans	-54.2	-38.8	172.6	70.4	-85.7	0	0	0	112.8	V289 L296 I299 I323 Y324 M404 Q405	V289-W401 HydrophobicContact CB-CD2 3.91Å; V289-W401 HydrophobicContact CB-CG 3.95Å; V289-W401 HydrophobicContact CB-CZ2 4.31Å; V289-W401 HydrophobicContact CG1-CD2 4.01Å; V289-W401 HydrophobicContact CG1-CE3 4.35Å; V289-W401 HydrophobicContact CG1-CG 4.14Å; V289-W401 HydrophobicContact CG2-CZ2 4.26Å; V289-W401 PolarHBondContact O-NE1 3.33Å; V289-W401 VanDerWaalsContact O-NE1 3.15Å; L296-W401 PolarHBondContact O-N 3.49Å; I299-W401 HydrophobicContact CG1-CB 4.26Å; I323-W401 WeakPolarHBondContact O-CZ3 3.3Å; Y324-W401 AromaticContact CD1-CH2 3.95Å; Y324-W401 HydrophobicContact CD1-CH2 3.95Å; Y324-W401 HydrophobicContact CD1-CZ2 4.37Å; Y324-W401 HydrophobicContact CD1-CZ3 4.32Å; Y324-W401 HydrophobicContact CE1-CH2 4.34Å; W401-M404 PolarHBondContact O-N 2.78Å; W401-Q405 PolarHBondContact O-N 2.94Å
402	R	98.8	Very high	98.7	Very high	14 Å²	14	22.6 Å²	22.6	5%	0.053	11%	0.111	C	C	.	.	H	α-helix	trans	-69.7	-42.1	174.7	-81.7	163.9	62.8	-121.5	0.6	112.7	T400 M404 Q405 H406 V455 G456 E496 T584	T400-R402 PolarHBondContact O-N 3.27Å; R402-M404 PolarHBondContact O-N 3.48Å; R402-Q405 PolarHBondContact O-N 3.14Å; R402-Q405 VanDerWaalsContact O-N 3.14Å; R402-H406 PolarHBondContact O-CD2 3.08Å; R402-H406 VanDerWaalsContact O-CD2 3.3Å; R402-H406 PolarHBondContact O-N 2.66Å; R402-V455 HydrophobicContact CB-CG2 4.17Å; R402-G456 PolarHBondContact NH1-O 2.82Å; R402-G456 PolarHBondContact NH2-O 3.19Å; R402-E496 IonicContact CZ-OE1 3.6Å; R402-E496 VanDerWaalsContact CZ-OE1 3.31Å; R402-E496 IonicContact CZ-OE2 3.68Å; R402-E496 IonicContact NE-OE1 3.52Å; R402-E496 PolarHBondContact NE-OE1 3.46Å; R402-E496 VanDerWaalsContact NE-OE1 3.17Å; R402-E496 IonicContact NE-OE2 3.84Å; R402-E496 PolarHBondContact NE-OE2 2.96Å; R402-E496 IonicContact NH2-OE1 3.33Å; R402-E496 PolarHBondContact NH2-OE1 3.12Å; R402-E496 IonicContact NH2-OE2 3.42Å; R402-E496 PolarHBondContact NH2-OE2 2.93Å; R402-T584 VanDerWaalsContact NH2-CG2 3.31Å
403	D	98.9	Very high	98.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-57.8	-38.2	176.5	-66.6	-53.9	0	0	0	111.3	L399 T400 H406 L407 W452 N454 V455	L399-D403 HydrophobicContact CB-CB 4.16Å; L399-D403 HydrophobicContact CD2-CB 3.81Å; T400-D403 VanDerWaalsContact CB-OD2 3.31Å; T400-D403 WeakPolarHBondContact CB-OD2 3.36Å; T400-D403 WeakPolarHBondContact CG2-OD2 3.45Å; T400-D403 PolarHBondContact N-OD2 2.74Å; T400-D403 WeakPolarHBondContact O-CB 3.31Å; T400-D403 PolarHBondContact O-N 2.72Å; T400-D403 VanDerWaalsContact O-N 3.13Å; T400-D403 PolarHBondContact OG1-N 2.92Å; T400-D403 VanDerWaalsContact OG1-N 3.13Å; T400-D403 PolarHBondContact OG1-OD2 3.26Å; D403-H406 PolarHBondContact O-N 3.2Å; D403-L407 WeakPolarHBondContact O-CB 3.47Å; D403-L407 VanDerWaalsContact O-CG 3.28Å; D403-L407 WeakPolarHBondContact O-CG 3.43Å; D403-L407 PolarHBondContact O-N 2.74Å; D403-W452 VanDerWaalsContact CG-NE1 3.33Å; D403-W452 PolarHBondContact OD1-NE1 2.86Å; D403-N454 VanDerWaalsContact OD1-CA 3.25Å; D403-N454 WeakPolarHBondContact OD1-CA 3.24Å; D403-N454 VanDerWaalsContact OD2-CG 3.28Å; D403-N454 PolarHBondContact OD2-ND2 2.76Å; D403-V455 PolarHBondContact OD1-N 2.98Å
404	M	98.9	Very high	98.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.7	-44.4	175.9	-166.2	59	62.9	0	0	112.5	I299 L326 I389 A392 L393 L399 T400 W401 R402 L407 V408 I445	I299-M404 HydrophobicContact CD1-CB 4.04Å; I299-M404 HydrophobicContact CD1-CE 4.12Å; I299-M404 HydrophobicContact CD1-CG 4.13Å; I299-M404 HydrophobicContact CG1-CB 4.44Å; L326-M404 HydrophobicContact CD1-CG 4.01Å; I389-M404 HydrophobicContact CB-SD 4.29Å; I389-M404 HydrophobicContact CD1-CG 4.49Å; I389-M404 HydrophobicContact CG1-CG 4.1Å; I389-M404 HydrophobicContact CG1-SD 4.04Å; I389-M404 HydrophobicContact CG2-CE 3.89Å; I389-M404 HydrophobicContact CG2-CG 3.85Å; I389-M404 HydrophobicContact CG2-SD 3.85Å; A392-M404 HydrophobicContact CB-CE 3.92Å; A392-M404 HydrophobicContact CB-SD 4.02Å; L393-M404 HydrophobicContact CD2-CE 3.49Å; L393-M404 VanDerWaalsContact CD2-CE 3.49Å; L393-M404 HydrophobicContact CG-CE 3.79Å; L399-M404 HydrophobicContact CB-CE 4.39Å; L399-M404 HydrophobicContact CD1-CE 3.68Å; T400-M404 PolarHBondContact O-N 3.03Å; T400-M404 VanDerWaalsContact O-N 3.08Å; W401-M404 PolarHBondContact O-N 2.78Å; R402-M404 PolarHBondContact O-N 3.48Å; M404-L407 PolarHBondContact O-N 2.8Å; M404-V408 WeakPolarHBondContact O-CG2 3.49Å; M404-V408 PolarHBondContact O-N 2.87Å; M404-I445 HydrophobicContact SD-CD1 4.02Å
405	Q	98.9	Very high	98.2	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.019	16%	0.156	C	C	.	.	H	α-helix	trans	-63.6	-43.1	175.4	-64.7	-175.5	5.5	0	0	111.5	I323 T325 L326 L348 W401 R402 L407 V408 V409 H497 W550	I323-Q405 PolarHBondContact O-NE2 3.01Å; T325-Q405 PolarHBondContact O-NE2 2.03Å; L326-Q405 HydrophobicContact CD1-CG 4.04Å; L326-Q405 HydrophobicContact CG-CG 4.18Å; L348-Q405 HydrophobicContact CD1-CB 3.98Å; L348-Q405 HydrophobicContact CD1-CG 3.71Å; W401-Q405 PolarHBondContact O-N 2.94Å; R402-Q405 PolarHBondContact O-N 3.14Å; R402-Q405 VanDerWaalsContact O-N 3.14Å; Q405-L407 VanDerWaalsContact C-N 3.34Å; Q405-L407 PolarHBondContact O-N 2.89Å; Q405-V408 WeakPolarHBondContact O-CB 3.48Å; Q405-V408 PolarHBondContact O-N 3.14Å; Q405-V409 WeakPolarHBondContact O-CG2 3.38Å; Q405-V409 PolarHBondContact O-N 2.89Å; Q405-H497 PolarHBondContact OE1-CE1 3.02Å; Q405-H497 VanDerWaalsContact OE1-CE1 3.23Å; Q405-H497 PolarHBondContact OE1-NE2 2.8Å; Q405-W550 HydrophobicContact CB-CH2 3.74Å; Q405-W550 HydrophobicContact CB-CZ2 4.15Å
406	H	98.9	Very high	97.9	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.009	18%	0.175	C	C	.	.	H	α-helix	trans	-58.8	-41.5	173.9	-89.1	-85.2	0	0	0	113	R402 D403 V409 R410 W452 E496 W550 D551	R402-H406 PolarHBondContact O-CD2 3.08Å; R402-H406 VanDerWaalsContact O-CD2 3.3Å; R402-H406 PolarHBondContact O-N 2.66Å; D403-H406 PolarHBondContact O-N 3.2Å; H406-V409 PolarHBondContact O-N 3.49Å; H406-R410 WeakPolarHBondContact O-CB 3.3Å; H406-R410 WeakPolarHBondContact O-CD 3.05Å; H406-R410 VanDerWaalsContact O-CG 3.24Å; H406-R410 WeakPolarHBondContact O-CG 3.36Å; H406-R410 PolarHBondContact O-N 3.48Å; H406-R410 VanDerWaalsContact O-N 3.09Å; H406-W452 HydrophobicContact CB-CH2 3.66Å; H406-W452 HydrophobicContact CB-CZ2 3.51Å; H406-E496 IonicContact CD2-OE1 3.73Å; H406-E496 IonicContact CE1-OE1 2.8Å; H406-E496 WeakPolarHBondContact NE2-CG 3.25Å; H406-E496 IonicContact NE2-OE1 3.51Å; H406-E496 PolarHBondContact NE2-OE1 3.4Å; H406-W550 AromaticContact CD2-CZ2 3.65Å; H406-W550 AromaticContact CE1-CE2 3.86Å; H406-W550 AromaticContact CE1-NE1 3.11Å; H406-W550 PolarHBondContact CE1-NE1 3.41Å; H406-W550 AromaticContact CG-CZ2 3.88Å; H406-W550 AromaticContact CG-NE1 3.62Å; H406-W550 AromaticContact ND1-CE2 3.9Å; H406-W550 AromaticContact ND1-NE1 3.03Å; H406-W550 PolarHBondContact ND1-NE1 3.12Å; H406-W550 AromaticContact NE2-CZ2 3.77Å; H406-W550 AromaticContact NE2-NE1 3.71Å; H406-D551 IonicContact CE1-OD1 2.66Å; H406-D551 IonicContact ND1-OD1 3.34Å
407	L	98.9	Very high	97.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.6	-42.2	175.4	-77.5	171.2	0	0	0	111.8	L399 D403 M404 Q405 R410 T411 I445 Q448 A449 W452	L399-L407 HydrophobicContact CD1-CD1 3.56Å; L399-L407 HydrophobicContact CD2-CD1 3.75Å; L399-L407 HydrophobicContact CG-CD1 4.3Å; D403-L407 WeakPolarHBondContact O-CB 3.47Å; D403-L407 VanDerWaalsContact O-CG 3.28Å; D403-L407 WeakPolarHBondContact O-CG 3.43Å; D403-L407 PolarHBondContact O-N 2.74Å; M404-L407 PolarHBondContact O-N 2.8Å; Q405-L407 VanDerWaalsContact C-N 3.34Å; Q405-L407 PolarHBondContact O-N 2.89Å; L407-R410 PolarHBondContact O-N 2.79Å; L407-T411 WeakPolarHBondContact O-CB 3.08Å; L407-T411 WeakPolarHBondContact O-CG2 3.09Å; L407-T411 PolarHBondContact O-N 2.84Å; L407-T411 PolarHBondContact O-OG1 2.96Å; L407-I445 HydrophobicContact CB-CD1 4.25Å; L407-I445 HydrophobicContact CB-CG1 3.9Å; L407-Q448 HydrophobicContact CD2-CB 3.77Å; L407-Q448 HydrophobicContact CD2-CG 3.6Å; L407-A449 HydrophobicContact CD1-CB 4.07Å; L407-W452 HydrophobicContact CD2-CD2 3.83Å; L407-W452 HydrophobicContact CD2-CE3 3.43Å; L407-W452 VanDerWaalsContact CD2-CE3 3.43Å; L407-W452 HydrophobicContact CD2-CG 4.31Å; L407-W452 HydrophobicContact CD2-CZ3 3.84Å; L407-W452 HydrophobicContact CG-CD2 4.1Å; L407-W452 HydrophobicContact CG-CE3 4.1Å; L407-W452 HydrophobicContact CG-CZ3 4.37Å
408	V	98.9	Very high	97.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59.1	-50	173.5	165	0	0	0	0	111.2	L326 L348 A349 M404 Q405 R410 T411 S412 L440 I445	L326-V408 HydrophobicContact CD1-CG2 4.13Å; L326-V408 HydrophobicContact CD2-CG2 4.42Å; L348-V408 HydrophobicContact CB-CG1 4.26Å; A349-V408 HydrophobicContact CB-CG1 3.48Å; A349-V408 VanDerWaalsContact CB-CG1 3.48Å; M404-V408 WeakPolarHBondContact O-CG2 3.49Å; M404-V408 PolarHBondContact O-N 2.87Å; Q405-V408 WeakPolarHBondContact O-CB 3.48Å; Q405-V408 PolarHBondContact O-N 3.14Å; V408-R410 PolarHBondContact O-N 2.98Å; V408-T411 PolarHBondContact O-N 2.71Å; V408-S412 VanDerWaalsContact O-CB 3.31Å; V408-S412 WeakPolarHBondContact O-CB 3.45Å; V408-S412 PolarHBondContact O-N 3.3Å; V408-S412 PolarHBondContact O-OG 3.42Å; V408-L440 HydrophobicContact CB-CD2 4.3Å; V408-L440 HydrophobicContact CG1-CD2 3.76Å; V408-L440 HydrophobicContact CG2-CD2 3.85Å; V408-I445 HydrophobicContact CG2-CD1 3.85Å
409	V	98.8	Very high	97.7	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.03	16%	0.161	C	C	.	.	H	α-helix	trans	-57.5	-34.7	177.3	170.3	0	0	0	0	112.7	L348 Q405 H406 Y437 W550	L348-V409 HydrophobicContact CD2-CG2 3.73Å; Q405-V409 WeakPolarHBondContact O-CG2 3.38Å; Q405-V409 PolarHBondContact O-N 2.89Å; H406-V409 PolarHBondContact O-N 3.49Å; V409-Y437 HydrophobicContact CB-CD2 4.2Å; V409-Y437 HydrophobicContact CB-CE2 4.33Å; V409-Y437 HydrophobicContact CB-CG 4.47Å; V409-Y437 HydrophobicContact CG1-CD1 4.12Å; V409-Y437 HydrophobicContact CG1-CD2 4.07Å; V409-Y437 HydrophobicContact CG1-CE1 3.94Å; V409-Y437 HydrophobicContact CG1-CE2 3.89Å; V409-Y437 HydrophobicContact CG1-CG 4.18Å; V409-Y437 HydrophobicContact CG2-CD2 3.75Å; V409-Y437 HydrophobicContact CG2-CE2 3.75Å; V409-Y437 HydrophobicContact CG2-CG 4.49Å; V409-W550 HydrophobicContact CG1-CB 4.13Å; V409-W550 HydrophobicContact CG1-CG 3.97Å; V409-W550 HydrophobicContact CG2-CD2 3.87Å; V409-W550 HydrophobicContact CG2-CE3 4.17Å; V409-W550 HydrophobicContact CG2-CG 4.08Å
410	R	98.3	Very high	97.5	Very high	97 Å²	97	39.7 Å²	39.7	37%	0.366	20%	0.204	S	C	.	.	H	α-helix	trans	-90.9	-19.7	-173.9	-69.7	171.2	-175.9	-167.9	1.8	114.5	H406 L407 V408 D551	H406-R410 WeakPolarHBondContact O-CB 3.3Å; H406-R410 WeakPolarHBondContact O-CD 3.05Å; H406-R410 VanDerWaalsContact O-CG 3.24Å; H406-R410 WeakPolarHBondContact O-CG 3.36Å; H406-R410 PolarHBondContact O-N 3.48Å; H406-R410 VanDerWaalsContact O-N 3.09Å; L407-R410 PolarHBondContact O-N 2.79Å; V408-R410 PolarHBondContact O-N 2.98Å; R410-D551 IonicContact CZ-OD2 3.46Å; R410-D551 IonicContact NE-OD2 2.85Å; R410-D551 PolarHBondContact NE-OD2 3.38Å; R410-D551 IonicContact NH2-OD1 2.75Å; R410-D551 PolarHBondContact NH2-OD1 2.94Å; R410-D551 IonicContact NH2-OD2 3.64Å; R410-D551 PolarHBondContact NH2-OD2 3.39Å; R410-D551 VanDerWaalsContact NH2-OD2 3.17Å
411	T	98.6	Very high	97.4	Very high	11 Å²	11	40.1 Å²	40.1	7%	0.067	21%	0.205	C	C	.	.	H	α-helix	trans	-111.4	-17	-177.3	61.1	0	0	0	0	115.5	L407 V408 A444 I445 Q448	L407-T411 WeakPolarHBondContact O-CB 3.08Å; L407-T411 WeakPolarHBondContact O-CG2 3.09Å; L407-T411 PolarHBondContact O-N 2.84Å; L407-T411 PolarHBondContact O-OG1 2.96Å; V408-T411 PolarHBondContact O-N 2.71Å; T411-A444 HydrophobicContact CG2-CB 4.18Å; T411-I445 HydrophobicContact CG2-CB 4.46Å; T411-Q448 HydrophobicContact CG2-CB 4.04Å
412	S	98.6	Very high	97.4	Very high	15 Å²	15	40.9 Å²	40.9	11%	0.105	21%	0.208	C	C	.	.			trans	-60.9	148.1	178.5	-62.2	0	0	0	0	112.1	V408 Y437 L439	V408-S412 VanDerWaalsContact O-CB 3.31Å; V408-S412 WeakPolarHBondContact O-CB 3.45Å; V408-S412 PolarHBondContact O-N 3.3Å; V408-S412 PolarHBondContact O-OG 3.42Å; S412-Y437 CarbonylContact C-O 3.46Å; S412-Y437 WeakPolarHBondContact CB-O 3.41Å; S412-L439 CarbonylContact C-O 3.52Å; S412-L439 WeakPolarHBondContact CA-O 3.41Å
413	R	97.4	Very high	97.4	Very high	119 Å²	119	47.5 Å²	47.5	45%	0.449	23%	0.233	S	C	.	.	B	Isolated β-bridge	trans	-118.4	113.6	-171.6	-67.3	-170.1	176.3	157.9	12.9	112	A415 L439 D441	R413-A415 PolarHBondContact O-N 2.88Å; R413-L439 PolarHBondContact N-O 3.13Å; R413-L439 PolarHBondContact O-N 2.98Å; R413-D441 IonicContact CZ-OD2 2.77Å; R413-D441 IonicContact NE-OD2 2.65Å; R413-D441 IonicContact NH1-OD2 2.77Å; R413-D441 PolarHBondContact NH1-OD2 2.92Å; R413-D441 IonicContact NH2-OD2 3.94Å; R413-D441 PolarHBondContact NH2-OD2 2.82Å
414	P	96.9	Very high	97.3	Very high	41 Å²	41	51.7 Å²	51.7	27%	0.266	26%	0.259	S	S	.	.			trans	-67.1	-9.4	167.9	-22.7	33.6	0	0	0	114.4	L417 W422 K430 Y437	P414-L417 PolarHBondContact O-N 3.1Å; P414-W422 HydrophobicContact CB-CE3 4.34Å; P414-W422 HydrophobicContact CB-CH2 3.61Å; P414-W422 HydrophobicContact CB-CZ2 3.88Å; P414-W422 HydrophobicContact CB-CZ3 3.85Å; P414-W422 HydrophobicContact CG-CH2 4.05Å; P414-W422 HydrophobicContact CG-CZ3 4.01Å; P414-K430 HydrophobicContact CB-CB 4.26Å; P414-K430 HydrophobicContact CB-CD 4.44Å; P414-K430 HydrophobicContact CG-CB 3.87Å; P414-Y437 WeakPolarHBondContact CD-O 3.35Å
415	A	91.3	Very high	97.3	Very high	55 Å²	55	52.1 Å²	52.1	46%	0.455	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	138.8	-175.6	0	0	0	0	0	111.5	R413 L417	R413-A415 PolarHBondContact O-N 2.88Å; A415-L417 PolarHBondContact O-N 2.86Å
416	H	91.8	Very high	97.3	Very high	116 Å²	116	53.9 Å²	53.9	54%	0.537	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	65	6.3	-178.6	-47.9	-60.5	0	0	0	116.3	G335	G335-H416 WeakPolarHBondContact CA-O 3.18Å
417	L	97.2	Very high	97.2	Very high	10 Å²	10	56.7 Å²	56.7	5%	0.052	30%	0.297	C	S	.	.			trans	-97.1	131.1	172.6	-65.4	-173.3	0	0	0	111.8	T331 P414 A415 W422 Y435 L439	T331-L417 HydrophobicContact CG2-CD2 3.74Å; T331-L417 WeakPolarHBondContact OG1-CD2 3.4Å; P414-L417 PolarHBondContact O-N 3.1Å; A415-L417 PolarHBondContact O-N 2.86Å; L417-W422 HydrophobicContact CB-CZ2 3.89Å; L417-W422 HydrophobicContact CD1-CZ2 4.16Å; L417-W422 PolarHBondContact O-NE1 2.7Å; L417-Y435 HydrophobicContact CB-CD2 3.9Å; L417-Y435 HydrophobicContact CB-CE2 3.67Å; L417-Y435 HydrophobicContact CD1-CD1 4.18Å; L417-Y435 HydrophobicContact CD1-CD2 4.04Å; L417-Y435 HydrophobicContact CD1-CE2 4.39Å; L417-Y435 HydrophobicContact CD1-CG 3.89Å; L417-Y435 HydrophobicContact CD2-CE1 4.35Å; L417-Y435 HydrophobicContact CG-CE2 4.43Å; L417-L439 HydrophobicContact CD1-CB 4.1Å; L417-L439 HydrophobicContact CG-CB 4.5Å
418	L	97	Very high	97.2	Very high	104 Å²	104	59.3 Å²	59.3	55%	0.545	32%	0.324	S	S	.	.	B	Isolated β-bridge	trans	-109.8	97.8	-171.3	-59.6	176.4	0	0	0	110.5	G335 N336	G335-L418 WeakPolarHBondContact O-CB 3.24Å; G335-L418 PolarHBondContact O-N 2.74Å; N336-L418 WeakPolarHBondContact OD1-CD1 3.32Å
419	A	96.7	Very high	97.1	Very high	19 Å²	19	62.2 Å²	62.2	16%	0.157	34%	0.335	C	S	.	.			trans	-132.9	148.8	172.9	0	0	0	0	0	110.6	D421 W422 Y435	A419-D421 WeakPolarHBondContact CB-OD1 3.28Å; A419-W422 VanDerWaalsContact O-CD1 3.32Å; A419-Y435 HydrophobicContact CB-CD2 3.85Å; A419-Y435 HydrophobicContact CB-CE2 3.77Å
420	N	96.2	Very high	97.1	Very high	169 Å²	169	67.6 Å²	67.6	90%	0.904	36%	0.358	S	S	*	.	S	Bend	trans	-84.4	-13.9	178.9	-65.3	-34.9	0	0	0	113
421	D	96.8	Very high	97.1	Very high	36 Å²	36	63 Å²	63	19%	0.193	34%	0.341	C	S	.	.			trans	-103.4	2.9	-170.5	82.2	-45.7	0	0	0	113.8	A419 R423 S432 H433	A419-D421 WeakPolarHBondContact CB-OD1 3.28Å; D421-R423 WeakPolarHBondContact O-CG 3.22Å; D421-R423 PolarHBondContact O-N 2.89Å; D421-R423 VanDerWaalsContact O-N 3.13Å; D421-S432 WeakPolarHBondContact OD1-CB 3.36Å; D421-S432 PolarHBondContact OD1-OG 3.15Å; D421-S432 PolarHBondContact OD2-OG 2.75Å; D421-H433 IonicContact OD2-CE1 2.98Å; D421-H433 IonicContact OD2-CG 3.27Å; D421-H433 PolarHBondContact OD2-N 3.15Å; D421-H433 IonicContact OD2-ND1 3.62Å; D421-H433 PolarHBondContact OD2-ND1 2.91Å
422	W	98.3	Very high	97.2	Very high	42 Å²	42	62.5 Å²	62.5	16%	0.159	34%	0.338	C	S	.	.			trans	-48.4	122.6	174.4	-78.6	116.7	0	0	0	110.8	P414 L417 A419 K430 V431 Y435	P414-W422 HydrophobicContact CB-CE3 4.34Å; P414-W422 HydrophobicContact CB-CH2 3.61Å; P414-W422 HydrophobicContact CB-CZ2 3.88Å; P414-W422 HydrophobicContact CB-CZ3 3.85Å; P414-W422 HydrophobicContact CG-CH2 4.05Å; P414-W422 HydrophobicContact CG-CZ3 4.01Å; L417-W422 HydrophobicContact CB-CZ2 3.89Å; L417-W422 HydrophobicContact CD1-CZ2 4.16Å; L417-W422 PolarHBondContact O-NE1 2.7Å; A419-W422 VanDerWaalsContact O-CD1 3.32Å; W422-K430 HydrophobicContact CE3-CB 3.85Å; W422-K430 HydrophobicContact CZ3-CB 4.16Å; W422-V431 WeakPolarHBondContact CA-O 3.3Å; W422-V431 VanDerWaalsContact CE3-C 3.43Å; W422-Y435 HydrophobicContact CH2-CD2 4.4Å; W422-Y435 AromaticContact CZ2-CD2 3.64Å; W422-Y435 HydrophobicContact CZ2-CD2 3.64Å; W422-Y435 HydrophobicContact CZ2-CG 4.28Å
423	R	97.6	Very high	97.2	Very high	153 Å²	153	62.3 Å²	62.3	58%	0.577	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127	151.8	173.3	-65.5	-59.1	175.8	-93.5	-0.6	109.9	D421 K430 V431	D421-R423 WeakPolarHBondContact O-CG 3.22Å; D421-R423 PolarHBondContact O-N 2.89Å; D421-R423 VanDerWaalsContact O-N 3.13Å; R423-K430 CarbonylContact O-C 3.5Å; R423-K430 VanDerWaalsContact O-CA 3.28Å; R423-K430 WeakPolarHBondContact O-CA 3.28Å; R423-V431 PolarHBondContact N-O 3.43Å; R423-V431 PolarHBondContact O-N 3.02Å
424	T	98.4	Very high	97.2	Very high	88 Å²	88	57.5 Å²	57.5	54%	0.54	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	126.3	170.7	-59.6	0	0	0	0	108.4	R429	T424-R429 CarbonylContact C-O 3.53Å; T424-R429 VanDerWaalsContact CA-O 3.3Å; T424-R429 WeakPolarHBondContact CA-O 3.14Å
425	N	98.4	Very high	97.3	Very high	8 Å²	8	55.6 Å²	55.6	4%	0.043	31%	0.307	C	S	.	.			trans	-81.7	176.9	178.5	83.2	-12	0	0	0	112.3	V427 G428 R429 Y437 T522 H548 E552	N425-V427 PolarHBondContact O-N 2.69Å; N425-V427 WeakPolarHBondContact OD1-CG2 3.42Å; N425-V427 PolarHBondContact OD1-N 3.46Å; N425-G428 PolarHBondContact O-N 3.21Å; N425-G428 PolarHBondContact OD1-N 2.77Å; N425-R429 PolarHBondContact N-O 2.79Å; N425-R429 PolarHBondContact OD1-N 2.89Å; N425-R429 PolarHBondContact OD1-O 2.96Å; N425-Y437 PolarHBondContact ND2-OH 3.07Å; N425-T522 WeakPolarHBondContact CA-OG1 3.45Å; N425-T522 HydrophobicContact CB-CG2 3.96Å; N425-H548 VanDerWaalsContact CB-O 3.28Å; N425-H548 WeakPolarHBondContact CB-O 3.11Å; N425-H548 PolarHBondContact ND2-O 2.96Å; N425-E552 WeakPolarHBondContact CB-OE1 3.31Å
426	G	97.8	Very high	97.7	Very high	42 Å²	42	53 Å²	53	43%	0.433	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.8	-174.2	0	0	0	0	0	115.5	T522 E552	G426-T522 PolarHBondContact N-OG1 2.82Å; G426-T522 VanDerWaalsContact N-OG1 3.17Å; G426-E552 PolarHBondContact N-OE1 3.44Å
427	V	97.9	Very high	98	Very high	60 Å²	60	47.6 Å²	47.6	36%	0.364	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	12.8	175.5	-63.5	0	0	0	0	113.3	N425 R429 W550 D551 E552	N425-V427 PolarHBondContact O-N 2.69Å; N425-V427 WeakPolarHBondContact OD1-CG2 3.42Å; N425-V427 PolarHBondContact OD1-N 3.46Å; V427-R429 HydrophobicContact CG2-CG 4.39Å; V427-W550 WeakPolarHBondContact CG2-O 3.44Å; V427-D551 HydrophobicContact CG1-CB 4.26Å; V427-D551 WeakPolarHBondContact CG1-O 3.36Å; V427-D551 HydrophobicContact CG2-CB 4.34Å; V427-E552 HydrophobicContact CG1-CG 4.2Å
428	G	97.9	Very high	98.1	Very high	55 Å²	55	47.1 Å²	47.1	57%	0.567	26%	0.258	S	S	*	.	S	Bend	trans	84.9	7.9	172	0	0	0	0	0	115.7	N425	N425-G428 PolarHBondContact O-N 3.21Å; N425-G428 PolarHBondContact OD1-N 2.77Å
429	R	98.4	Very high	98.1	Very high	62 Å²	62	42.9 Å²	42.9	23%	0.234	24%	0.236	C	C	.	.			trans	-87.1	143	176	-62.3	-170.3	-171.1	107.4	3.1	110.9	T424 N425 V427 Y437 W550 D551	T424-R429 CarbonylContact C-O 3.53Å; T424-R429 VanDerWaalsContact CA-O 3.3Å; T424-R429 WeakPolarHBondContact CA-O 3.14Å; N425-R429 PolarHBondContact N-O 2.79Å; N425-R429 PolarHBondContact OD1-N 2.89Å; N425-R429 PolarHBondContact OD1-O 2.96Å; V427-R429 HydrophobicContact CG2-CG 4.39Å; R429-Y437 HydrophobicContact CB-CD1 4.13Å; R429-Y437 HydrophobicContact CB-CE1 3.85Å; R429-W550 PolarHBondContact NH1-O 3.18Å; R429-D551 IonicContact CZ-OD2 3.96Å; R429-D551 IonicContact NH1-OD2 2.64Å; R429-D551 PolarHBondContact NH1-OD2 3.13Å; R429-D551 IonicContact NH2-OD2 3.02Å; R429-D551 PolarHBondContact NH2-OD2 2.77Å
430	K	98.4	Very high	98.2	Very high	117 Å²	117	42 Å²	42	51%	0.509	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	135.1	169.3	-68.7	-173.5	176.2	-172.2	0	110.1	P414 W422 R423	P414-K430 HydrophobicContact CB-CB 4.26Å; P414-K430 HydrophobicContact CB-CD 4.44Å; P414-K430 HydrophobicContact CG-CB 3.87Å; W422-K430 HydrophobicContact CE3-CB 3.85Å; W422-K430 HydrophobicContact CZ3-CB 4.16Å; R423-K430 CarbonylContact O-C 3.5Å; R423-K430 VanDerWaalsContact O-CA 3.28Å; R423-K430 WeakPolarHBondContact O-CA 3.28Å
431	V	98.6	Very high	98.3	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	149.3	177.9	69.8	0	0	0	0	110.1	W422 R423 G436 Y437 H548	W422-V431 WeakPolarHBondContact CA-O 3.3Å; W422-V431 VanDerWaalsContact CE3-C 3.43Å; R423-V431 PolarHBondContact N-O 3.43Å; R423-V431 PolarHBondContact O-N 3.02Å; V431-G436 WeakPolarHBondContact CA-O 3.19Å; V431-G436 WeakPolarHBondContact CG2-O 3.26Å; V431-Y437 HydrophobicContact CB-CD1 4.45Å; V431-Y437 HydrophobicContact CB-CE1 4.22Å; V431-Y437 HydrophobicContact CG2-CD1 4.49Å; V431-Y437 HydrophobicContact CG2-CD2 4.44Å; V431-Y437 HydrophobicContact CG2-CE1 4.31Å; V431-Y437 HydrophobicContact CG2-CE2 4.26Å; V431-H548 HydrophobicContact CG1-CB 3.95Å; V431-H548 HydrophobicContact CG2-CB 4.24Å; V431-H548 VanDerWaalsContact CG2-CD2 3.42Å; V431-H548 WeakPolarHBondContact CG2-CD2 3.46Å
432	S	98.8	Very high	98.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-141.2	143	179.2	160.5	0	0	0	0	108.8	D421 S434 Y435 G436	D421-S432 WeakPolarHBondContact OD1-CB 3.36Å; D421-S432 PolarHBondContact OD1-OG 3.15Å; D421-S432 PolarHBondContact OD2-OG 2.75Å; S432-S434 PolarHBondContact O-N 3.43Å; S432-S434 PolarHBondContact OG-N 3.49Å; S432-Y435 PolarHBondContact O-N 2.99Å; S432-G436 PolarHBondContact N-O 3.48Å; S432-G436 VanDerWaalsContact O-CA 3.25Å; S432-G436 WeakPolarHBondContact O-CA 3.44Å; S432-G436 PolarHBondContact O-N 3.37Å
433	H	98.8	Very high	98.4	Very high	11 Å²	11	31.4 Å²	31.4	5%	0.051	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-21.2	177.6	-53.3	80.9	0	0	0	112	A343 C344 D421 T525 H548	A343-H433 CarbonylContact C-O 3.58Å; A343-H433 VanDerWaalsContact CA-O 3.27Å; A343-H433 WeakPolarHBondContact CA-O 3.38Å; A343-H433 HydrophobicContact CB-CB 4.12Å; C344-H433 PolarHBondContact N-O 2.95Å; C344-H433 WeakPolarHBondContact O-CA 3.36Å; C344-H433 VanDerWaalsContact O-O 3.11Å; D421-H433 IonicContact OD2-CE1 2.98Å; D421-H433 IonicContact OD2-CG 3.27Å; D421-H433 PolarHBondContact OD2-N 3.15Å; D421-H433 IonicContact OD2-ND1 3.62Å; D421-H433 PolarHBondContact OD2-ND1 2.91Å; H433-T525 PolarHBondContact NE2-N 3.03Å; H433-H548 AromaticContact CD2-CE1 3.27Å; H433-H548 PolarHBondContact CD2-CE1 2.73Å; H433-H548 AromaticContact CD2-ND1 3.99Å; H433-H548 AromaticContact CD2-NE2 3.99Å; H433-H548 AromaticContact CE1-CE1 3.61Å; H433-H548 AromaticContact CE1-ND1 3.91Å; H433-H548 AromaticContact CG-CE1 3.57Å; H433-H548 AromaticContact ND1-CE1 3.77Å; H433-H548 AromaticContact NE2-CE1 3.28Å; H433-H548 PolarHBondContact NE2-CE1 2.88Å; H433-H548 VanDerWaalsContact NE2-CE1 3.28Å; H433-H548 AromaticContact NE2-ND1 3.55Å
434	S	98.4	Very high	98.4	Very high	18 Å²	18	25.2 Å²	25.2	13%	0.126	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-19.8	174.2	-59.2	0	0	0	0	113.5	S329 S432	S329-S434 WeakPolarHBondContact CB-O 3.27Å; S432-S434 PolarHBondContact O-N 3.43Å; S432-S434 PolarHBondContact OG-N 3.49Å
435	Y	98.7	Very high	98.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.5	-3.3	-170.2	-65.4	-45.9	0	0	0	116	G335 N336 V337 A349 T350 L417 A419 W422 S432 Y437 G438	G335-Y435 PolarHBondContact O-OH 2.84Å; G335-Y435 VanDerWaalsContact O-OH 3.06Å; N336-Y435 PolarHBondContact O-OH 3.36Å; N336-Y435 VanDerWaalsContact O-OH 3.06Å; V337-Y435 HydrophobicContact CG2-CE1 4.15Å; V337-Y435 HydrophobicContact CG2-CE2 3.92Å; V337-Y435 PolarHBondContact N-OH 2.81Å; A349-Y435 CarbonylContact C-O 3.6Å; A349-Y435 WeakPolarHBondContact CA-O 3.46Å; T350-Y435 HydrophobicContact CG2-CD1 3.84Å; T350-Y435 HydrophobicContact CG2-CE1 4.23Å; T350-Y435 VanDerWaalsContact OG1-CA 3.28Å; T350-Y435 WeakPolarHBondContact OG1-CA 3.49Å; T350-Y435 PolarHBondContact OG1-O 2.82Å; L417-Y435 HydrophobicContact CB-CD2 3.9Å; L417-Y435 HydrophobicContact CB-CE2 3.67Å; L417-Y435 HydrophobicContact CD1-CD1 4.18Å; L417-Y435 HydrophobicContact CD1-CD2 4.04Å; L417-Y435 HydrophobicContact CD1-CE2 4.39Å; L417-Y435 HydrophobicContact CD1-CG 3.89Å; L417-Y435 HydrophobicContact CD2-CE1 4.35Å; L417-Y435 HydrophobicContact CG-CE2 4.43Å; A419-Y435 HydrophobicContact CB-CD2 3.85Å; A419-Y435 HydrophobicContact CB-CE2 3.77Å; W422-Y435 HydrophobicContact CH2-CD2 4.4Å; W422-Y435 AromaticContact CZ2-CD2 3.64Å; W422-Y435 HydrophobicContact CZ2-CD2 3.64Å; W422-Y435 HydrophobicContact CZ2-CG 4.28Å; S432-Y435 PolarHBondContact O-N 2.99Å; Y435-Y437 PolarHBondContact O-N 3.26Å; Y435-G438 WeakPolarHBondContact O-CA 3.43Å; Y435-G438 PolarHBondContact O-N 2.89Å
436	G	98.8	Very high	98.5	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	52.7	-129.2	-165.5	0	0	0	0	0	110.9	T347 V431 S432 G438	T347-G436 WeakPolarHBondContact O-CA 3.36Å; V431-G436 WeakPolarHBondContact CA-O 3.19Å; V431-G436 WeakPolarHBondContact CG2-O 3.26Å; S432-G436 PolarHBondContact N-O 3.48Å; S432-G436 VanDerWaalsContact O-CA 3.25Å; S432-G436 WeakPolarHBondContact O-CA 3.44Å; S432-G436 PolarHBondContact O-N 3.37Å; G436-G438 PolarHBondContact O-N 2.87Å
437	Y	98.8	Very high	98.5	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.016	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	1.5	175.2	-71.1	-83.1	0	0	0	114.2	L348 V409 S412 P414 N425 R429 V431 Y435 T547 H548 W550	L348-Y437 PolarHBondContact O-N 3.05Å; V409-Y437 HydrophobicContact CB-CD2 4.2Å; V409-Y437 HydrophobicContact CB-CE2 4.33Å; V409-Y437 HydrophobicContact CB-CG 4.47Å; V409-Y437 HydrophobicContact CG1-CD1 4.12Å; V409-Y437 HydrophobicContact CG1-CD2 4.07Å; V409-Y437 HydrophobicContact CG1-CE1 3.94Å; V409-Y437 HydrophobicContact CG1-CE2 3.89Å; V409-Y437 HydrophobicContact CG1-CG 4.18Å; V409-Y437 HydrophobicContact CG2-CD2 3.75Å; V409-Y437 HydrophobicContact CG2-CE2 3.75Å; V409-Y437 HydrophobicContact CG2-CG 4.49Å; S412-Y437 CarbonylContact C-O 3.46Å; S412-Y437 WeakPolarHBondContact CB-O 3.41Å; P414-Y437 WeakPolarHBondContact CD-O 3.35Å; N425-Y437 PolarHBondContact ND2-OH 3.07Å; R429-Y437 HydrophobicContact CB-CD1 4.13Å; R429-Y437 HydrophobicContact CB-CE1 3.85Å; V431-Y437 HydrophobicContact CB-CD1 4.45Å; V431-Y437 HydrophobicContact CB-CE1 4.22Å; V431-Y437 HydrophobicContact CG2-CD1 4.49Å; V431-Y437 HydrophobicContact CG2-CD2 4.44Å; V431-Y437 HydrophobicContact CG2-CE1 4.31Å; V431-Y437 HydrophobicContact CG2-CE2 4.26Å; Y435-Y437 PolarHBondContact O-N 3.26Å; Y437-T547 PolarHBondContact OH-O 2.88Å; Y437-H548 PolarHBondContact OH-O 3.19Å; Y437-W550 HydrophobicContact CE2-CB 4.47Å; Y437-W550 VanDerWaalsContact OH-CB 3.31Å; Y437-W550 WeakPolarHBondContact OH-CB 3.48Å
438	G	98.6	Very high	98.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.125	C	C	.	.			trans	108	-159.1	174.6	0	0	0	0	0	114.4	A349 T350 Y435 G436	A349-G438 WeakPolarHBondContact CA-O 3.42Å; A349-G438 WeakPolarHBondContact CB-O 3.45Å; T350-G438 PolarHBondContact N-O 2.65Å; Y435-G438 WeakPolarHBondContact O-CA 3.43Å; Y435-G438 PolarHBondContact O-N 2.89Å; G436-G438 PolarHBondContact O-N 2.87Å
439	L	98.7	Very high	98.5	Very high	14 Å²	14	18.7 Å²	18.7	7%	0.073	10%	0.098	C	C	.	.	B	Isolated β-bridge	trans	-73.2	131.7	-173	-168.9	75.8	0	0	0	111.4	L143 T331 T350 Y352 S412 R413 L417	L143-L439 HydrophobicContact CD2-CD1 3.94Å; L143-L439 HydrophobicContact CD2-CG 4.14Å; T331-L439 HydrophobicContact CG2-CD1 3.8Å; T350-L439 HydrophobicContact CG2-CD1 4.41Å; T350-L439 CarbonylContact O-C 3.54Å; T350-L439 WeakPolarHBondContact O-CA 3.47Å; Y352-L439 HydrophobicContact CD2-CD1 4.1Å; Y352-L439 HydrophobicContact CE2-CD1 3.88Å; Y352-L439 HydrophobicContact CE2-CD2 3.59Å; Y352-L439 HydrophobicContact CE2-CG 4.34Å; Y352-L439 WeakPolarHBondContact OH-CD2 3.35Å; S412-L439 CarbonylContact C-O 3.52Å; S412-L439 WeakPolarHBondContact CA-O 3.41Å; R413-L439 PolarHBondContact N-O 3.13Å; R413-L439 PolarHBondContact O-N 2.98Å; L417-L439 HydrophobicContact CD1-CB 4.1Å; L417-L439 HydrophobicContact CG-CB 4.5Å
440	L	98.7	Very high	98.5	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.01	11%	0.109	C	C	.	.			trans	-62.2	135.7	171.5	-67	-176.7	0	0	0	111.5	I328 A349 T350 T351 A385 I388 V408	I328-L440 HydrophobicContact CD1-CD1 4.15Å; A349-L440 HydrophobicContact CB-CD2 3.66Å; A349-L440 HydrophobicContact CB-CG 4.11Å; T350-L440 PolarHBondContact O-N 2.56Å; T351-L440 HydrophobicContact CG2-CB 4.23Å; T351-L440 HydrophobicContact CG2-CD1 3.71Å; T351-L440 HydrophobicContact CG2-CG 4.11Å; A385-L440 HydrophobicContact CB-CD1 3.5Å; I388-L440 HydrophobicContact CD1-CB 3.66Å; I388-L440 HydrophobicContact CD1-CD1 4.09Å; V408-L440 HydrophobicContact CB-CD2 4.3Å; V408-L440 HydrophobicContact CG1-CD2 3.76Å; V408-L440 HydrophobicContact CG2-CD2 3.85Å
441	D	98.4	Very high	98.4	Very high	6 Å²	6	20.8 Å²	20.8	3%	0.032	12%	0.118	C	C	.	.			trans	-117.2	111.9	170.5	-178.2	-55.5	0	0	0	109.9	N144 R413 S443 A444 I445	N144-D441 WeakPolarHBondContact CB-OD1 3.25Å; N144-D441 WeakPolarHBondContact CB-OD2 3.47Å; N144-D441 VanDerWaalsContact ND2-CG 3.31Å; N144-D441 PolarHBondContact ND2-OD1 3.03Å; N144-D441 PolarHBondContact ND2-OD2 3.01Å; R413-D441 IonicContact CZ-OD2 2.77Å; R413-D441 IonicContact NE-OD2 2.65Å; R413-D441 IonicContact NH1-OD2 2.77Å; R413-D441 PolarHBondContact NH1-OD2 2.92Å; R413-D441 IonicContact NH2-OD2 3.94Å; R413-D441 PolarHBondContact NH2-OD2 2.82Å; D441-S443 VanDerWaalsContact C-N 3.29Å; D441-S443 PolarHBondContact O-N 3.22Å; D441-S443 WeakPolarHBondContact OD1-CA 3.31Å; D441-S443 WeakPolarHBondContact OD1-CB 3.39Å; D441-S443 PolarHBondContact OD1-N 2.75Å; D441-A444 HydrophobicContact CB-CB 3.88Å; D441-A444 PolarHBondContact O-N 3.15Å; D441-A444 PolarHBondContact OD1-N 3.17Å; D441-I445 WeakPolarHBondContact O-CG2 3.38Å; D441-I445 PolarHBondContact O-N 3.43Å
442	A	98.6	Very high	98.4	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60.7	-34.3	-176.1	0	0	0	0	0	113.7	L143 A145 A148 I388 L391 I445 V446	L143-A442 VanDerWaalsContact O-CB 3.27Å; L143-A442 WeakPolarHBondContact O-CB 3.48Å; L143-A442 PolarHBondContact O-N 2.66Å; A145-A442 HydrophobicContact CB-CB 4.43Å; A148-A442 HydrophobicContact CB-CB 4.01Å; I388-A442 HydrophobicContact CD1-CB 4.48Å; I388-A442 HydrophobicContact CG1-CB 4.1Å; I388-A442 HydrophobicContact CG2-CB 4.33Å; L391-A442 HydrophobicContact CD1-CB 4.2Å; A442-I445 WeakPolarHBondContact O-CG2 3.45Å; A442-V446 VanDerWaalsContact O-CB 3.26Å; A442-V446 WeakPolarHBondContact O-CB 3.37Å; A442-V446 WeakPolarHBondContact O-CG2 3.46Å; A442-V446 PolarHBondContact O-N 2.66Å
443	S	97.8	Very high	98.3	Very high	18 Å²	18	27.9 Å²	27.9	13%	0.126	16%	0.158	C	C	.	.	H	α-helix	trans	-79	-37.2	-179	-169.1	0	0	0	0	111.6	N144 D441 S447	N144-S443 WeakPolarHBondContact ND2-CB 3.26Å; D441-S443 VanDerWaalsContact C-N 3.29Å; D441-S443 PolarHBondContact O-N 3.22Å; D441-S443 WeakPolarHBondContact OD1-CA 3.31Å; D441-S443 WeakPolarHBondContact OD1-CB 3.39Å; D441-S443 PolarHBondContact OD1-N 2.75Å; S443-S447 WeakPolarHBondContact O-CB 3.29Å; S443-S447 PolarHBondContact O-N 3.04Å; S443-S447 PolarHBondContact O-OG 2.91Å
444	A	98.4	Very high	98.3	Very high	23 Å²	23	30.3 Å²	30.3	19%	0.19	17%	0.172	C	C	.	.	H	α-helix	trans	-66	-48.2	177.2	0	0	0	0	0	111.2	T411 D441 S447 Q448	T411-A444 HydrophobicContact CG2-CB 4.18Å; D441-A444 HydrophobicContact CB-CB 3.88Å; D441-A444 PolarHBondContact O-N 3.15Å; D441-A444 PolarHBondContact OD1-N 3.17Å; A444-S447 PolarHBondContact O-N 2.84Å; A444-Q448 PolarHBondContact O-N 3.47Å
445	I	98.6	Very high	98.2	Very high	1 Å²	1	31 Å²	31	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-63.6	-44	179.8	-159.4	177.6	0	0	0	111.7	I388 A392 M404 L407 V408 T411 D441 A442 S447 Q448 A449	I388-I445 HydrophobicContact CG2-CG2 3.61Å; A392-I445 HydrophobicContact CB-CD1 4.3Å; A392-I445 HydrophobicContact CB-CG1 4.17Å; A392-I445 HydrophobicContact CB-CG2 4.27Å; M404-I445 HydrophobicContact SD-CD1 4.02Å; L407-I445 HydrophobicContact CB-CD1 4.25Å; L407-I445 HydrophobicContact CB-CG1 3.9Å; V408-I445 HydrophobicContact CG2-CD1 3.85Å; T411-I445 HydrophobicContact CG2-CB 4.46Å; D441-I445 WeakPolarHBondContact O-CG2 3.38Å; D441-I445 PolarHBondContact O-N 3.43Å; A442-I445 WeakPolarHBondContact O-CG2 3.45Å; I445-S447 PolarHBondContact O-N 3.16Å; I445-Q448 PolarHBondContact O-N 3.04Å; I445-A449 VanDerWaalsContact O-CB 3.25Å; I445-A449 WeakPolarHBondContact O-CB 3.46Å; I445-A449 PolarHBondContact O-N 2.9Å
446	V	98.6	Very high	97.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-60.6	-44.1	173	161.4	0	0	0	0	111.8	A148 L151 Y153 L391 A395 A442 K450	A148-V446 HydrophobicContact CB-CG2 4.26Å; L151-V446 HydrophobicContact CD1-CG1 4.13Å; Y153-V446 HydrophobicContact CD2-CG1 3.24Å; Y153-V446 HydrophobicContact CE2-CG1 3.6Å; Y153-V446 HydrophobicContact CG-CG1 3.86Å; L391-V446 HydrophobicContact CB-CG2 3.64Å; A395-V446 HydrophobicContact CB-CG1 4.06Å; A442-V446 VanDerWaalsContact O-CB 3.26Å; A442-V446 WeakPolarHBondContact O-CB 3.37Å; A442-V446 WeakPolarHBondContact O-CG2 3.46Å; A442-V446 PolarHBondContact O-N 2.66Å; V446-K450 WeakPolarHBondContact O-CG 3.47Å; V446-K450 PolarHBondContact O-N 3.28Å
447	S	98.3	Very high	97.7	Very high	55 Å²	55	38.4 Å²	38.4	39%	0.385	23%	0.23	S	C	.	.	H	α-helix	trans	-66	-39.7	-179.7	-63.8	0	0	0	0	111.9	S443 A444 I445	S443-S447 WeakPolarHBondContact O-CB 3.29Å; S443-S447 PolarHBondContact O-N 3.04Å; S443-S447 PolarHBondContact O-OG 2.91Å; A444-S447 PolarHBondContact O-N 2.84Å; I445-S447 PolarHBondContact O-N 3.16Å
448	Q	98.3	Very high	97.6	Very high	60 Å²	60	41.2 Å²	41.2	28%	0.28	24%	0.243	S	C	.	.	H	α-helix	trans	-74.3	-37.8	178.6	-167.6	168.4	26.5	0	0	112.1	L407 T411 A444 I445 K450 T451 W452	L407-Q448 HydrophobicContact CD2-CB 3.77Å; L407-Q448 HydrophobicContact CD2-CG 3.6Å; T411-Q448 HydrophobicContact CG2-CB 4.04Å; A444-Q448 PolarHBondContact O-N 3.47Å; I445-Q448 PolarHBondContact O-N 3.04Å; Q448-K450 VanDerWaalsContact C-N 3.26Å; Q448-K450 PolarHBondContact O-N 2.91Å; Q448-T451 CarbonylContact O-C 3.57Å; Q448-T451 PolarHBondContact O-N 3.04Å; Q448-T451 VanDerWaalsContact O-N 3.12Å; Q448-T451 PolarHBondContact O-OG1 2.73Å; Q448-W452 HydrophobicContact CG-CE3 4.01Å; Q448-W452 HydrophobicContact CG-CZ3 4.32Å; Q448-W452 PolarHBondContact O-N 3.02Å
449	A	98.5	Very high	97.5	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-52.7	-40.3	176.4	0	0	0	0	0	113.2	A392 A395 N396 L399 L407 I445 T451 W452	A392-A449 HydrophobicContact CB-CB 4.47Å; A395-A449 HydrophobicContact CB-CB 4.22Å; N396-A449 HydrophobicContact CB-CB 4.27Å; N396-A449 WeakPolarHBondContact CB-O 3.12Å; N396-A449 PolarHBondContact ND2-O 3.44Å; L399-A449 HydrophobicContact CD1-CB 3.95Å; L407-A449 HydrophobicContact CD1-CB 4.07Å; I445-A449 VanDerWaalsContact O-CB 3.25Å; I445-A449 WeakPolarHBondContact O-CB 3.46Å; I445-A449 PolarHBondContact O-N 2.9Å; A449-T451 VanDerWaalsContact C-N 3.25Å; A449-T451 PolarHBondContact O-N 2.83Å; A449-W452 WeakPolarHBondContact O-CB 3.42Å; A449-W452 PolarHBondContact O-N 3.1Å
450	K	97.1	Very high	97.5	Very high	108 Å²	108	46.7 Å²	46.7	47%	0.47	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-25.7	-179.7	-68	170.6	68.3	152.8	0	114.8	Y153 A395 V446 Q448	Y153-K450 HydrophobicContact CE2-CD 4.01Å; Y153-K450 VanDerWaalsContact OH-CD 3.29Å; Y153-K450 WeakPolarHBondContact OH-CD 3.44Å; Y153-K450 VanDerWaalsContact OH-CE 3.26Å; Y153-K450 WeakPolarHBondContact OH-CE 3.41Å; Y153-K450 PolarHBondContact OH-NZ 2.95Å; Y153-K450 VanDerWaalsContact OH-NZ 3.09Å; A395-K450 HydrophobicContact CB-CG 4.06Å; V446-K450 WeakPolarHBondContact O-CG 3.47Å; V446-K450 PolarHBondContact O-N 3.28Å; Q448-K450 VanDerWaalsContact C-N 3.26Å; Q448-K450 PolarHBondContact O-N 2.91Å
451	T	96.9	Very high	97.4	Very high	115 Å²	115	46.6 Å²	46.6	71%	0.706	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.3	9.8	179.4	55.6	0	0	0	0	111.8	Q448 A449	Q448-T451 CarbonylContact O-C 3.57Å; Q448-T451 PolarHBondContact O-N 3.04Å; Q448-T451 VanDerWaalsContact O-N 3.12Å; Q448-T451 PolarHBondContact O-OG1 2.73Å; A449-T451 VanDerWaalsContact C-N 3.25Å; A449-T451 PolarHBondContact O-N 2.83Å
452	W	98.1	Very high	97.4	Very high	27 Å²	27	50.1 Å²	50.1	10%	0.102	29%	0.287	C	S	.	.			trans	-70	136.8	-178.3	-168.7	-102.4	0	0	0	110.8	L399 D403 H406 L407 Q448 A449 V455	L399-W452 HydrophobicContact CD2-CB 4.02Å; L399-W452 VanDerWaalsContact CD2-CD1 3.45Å; L399-W452 HydrophobicContact CD2-CG 3.87Å; D403-W452 VanDerWaalsContact CG-NE1 3.33Å; D403-W452 PolarHBondContact OD1-NE1 2.86Å; H406-W452 HydrophobicContact CB-CH2 3.66Å; H406-W452 HydrophobicContact CB-CZ2 3.51Å; L407-W452 HydrophobicContact CD2-CD2 3.83Å; L407-W452 HydrophobicContact CD2-CE3 3.43Å; L407-W452 VanDerWaalsContact CD2-CE3 3.43Å; L407-W452 HydrophobicContact CD2-CG 4.31Å; L407-W452 HydrophobicContact CD2-CZ3 3.84Å; L407-W452 HydrophobicContact CG-CD2 4.1Å; L407-W452 HydrophobicContact CG-CE3 4.1Å; L407-W452 HydrophobicContact CG-CZ3 4.37Å; Q448-W452 HydrophobicContact CG-CE3 4.01Å; Q448-W452 HydrophobicContact CG-CZ3 4.32Å; Q448-W452 PolarHBondContact O-N 3.02Å; A449-W452 WeakPolarHBondContact O-CB 3.42Å; A449-W452 PolarHBondContact O-N 3.1Å; W452-V455 HydrophobicContact CZ2-CG1 4.02Å
453	T	97.7	Very high	97.4	Very high	123 Å²	123	51.3 Å²	51.3	76%	0.755	29%	0.293	S	S	*	.			trans	-106.6	121.7	167.7	-58.5	0	0	0	0	106.7	V455	T453-V455 PolarHBondContact O-N 3.44Å
454	N	97.7	Very high	97.3	Very high	63 Å²	63	54.6 Å²	54.6	34%	0.337	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-55.2	140.5	-176	-68.7	26	0	0	0	111.7	N398 D403	N398-N454 PolarHBondContact O-ND2 2.81Å; D403-N454 VanDerWaalsContact OD1-CA 3.25Å; D403-N454 WeakPolarHBondContact OD1-CA 3.24Å; D403-N454 VanDerWaalsContact OD2-CG 3.28Å; D403-N454 PolarHBondContact OD2-ND2 2.76Å
455	V	96.8	Very high	97.1	Very high	32 Å²	32	53.9 Å²	53.9	19%	0.194	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-68.5	152.1	177.8	-61	0	0	0	0	111.3	R402 D403 W452 T453 T584	R402-V455 HydrophobicContact CB-CG2 4.17Å; D403-V455 PolarHBondContact OD1-N 2.98Å; W452-V455 HydrophobicContact CZ2-CG1 4.02Å; T453-V455 PolarHBondContact O-N 3.44Å; V455-T584 HydrophobicContact CB-CG2 4.47Å
456	G	92.6	Very high	96.9	Very high	38 Å²	38	55.2 Å²	55.2	39%	0.392	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-62.8	170.6	176.5	0	0	0	0	0	113.1	R402	R402-G456 PolarHBondContact NH1-O 2.82Å; R402-G456 PolarHBondContact NH2-O 3.19Å
457	P	94.3	Very high	96.4	Very high	118 Å²	118	61.7 Å²	61.7	77%	0.766	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-50.7	140.9	177.2	-26.4	34.9	0	0	0	112.2	R459	P457-R459 PolarHBondContact O-N 2.71Å
458	Q	97	Very high	96.1	Very high	62 Å²	62	63.9 Å²	63.9	29%	0.29	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-68.6	130.2	178.4	-163.6	175.2	56.8	0	0	109.9	E496 Y582	Q458-E496 PolarHBondContact NE2-OE2 2.61Å; Q458-Y582 HydrophobicContact CG-CD1 4.39Å
459	R	96.9	Very high	96	Very high	38 Å²	38	65 Å²	65	14%	0.143	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	148.6	170.8	-66.7	-176.8	171.2	-165.6	-9.8	109.7	P457 D489 Y491 V492 Y582 G583 G585 S586	P457-R459 PolarHBondContact O-N 2.71Å; R459-D489 WeakPolarHBondContact CD-O 3.49Å; R459-D489 WeakPolarHBondContact CG-O 3.4Å; R459-D489 PolarHBondContact NE-O 3.27Å; R459-D489 VanDerWaalsContact NE-O 3.09Å; R459-Y491 WeakPolarHBondContact CD-O 3.39Å; R459-Y491 PolarHBondContact NH1-O 3.3Å; R459-V492 HydrophobicContact CB-CG2 4.06Å; R459-Y582 WeakPolarHBondContact O-CA 3.47Å; R459-G583 PolarHBondContact N-O 3Å; R459-G583 PolarHBondContact O-N 2.69Å; R459-G583 VanDerWaalsContact O-N 3.12Å; R459-G585 VanDerWaalsContact CZ-O 3.23Å; R459-G585 PolarHBondContact NH1-O 3.07Å; R459-S586 PolarHBondContact NH1-O 2.97Å
460	K	97.9	Very high	95.9	Very high	92 Å²	92	70 Å²	70	40%	0.4	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	110.6	178.4	-176.3	-175.1	179.6	-177.5	0	109.1	V462 S490 V580 L581 Y582	K460-V462 HydrophobicContact CD-CG2 4.35Å; K460-V462 HydrophobicContact CG-CG2 4.13Å; K460-S490 VanDerWaalsContact O-CB 3.28Å; K460-S490 WeakPolarHBondContact O-CB 3.4Å; K460-S490 PolarHBondContact O-OG 3.17Å; K460-V580 HydrophobicContact CD-CG1 4.38Å; K460-V580 HydrophobicContact CG-CG1 3.86Å; K460-L581 WeakPolarHBondContact CA-O 3.2Å; K460-Y582 HydrophobicContact CB-CD1 4.3Å; K460-Y582 HydrophobicContact CB-CE1 4.23Å; K460-Y582 HydrophobicContact CD-CE1 3.83Å; K460-Y582 WeakPolarHBondContact CE-OH 3.3Å; K460-Y582 HydrophobicContact CG-CD1 4.23Å; K460-Y582 HydrophobicContact CG-CE1 3.83Å
461	C	98.1	Very high	95.8	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	132.5	170.4	176	0	0	0	0	109	C485 V492 V580 L581	C461-C485 WeakPolarHBondContact CA-SG 3.47Å; C461-C485 HydrophobicContact CB-CB 3.76Å; C461-C485 WeakPolarHBondContact CB-SG 3.5Å; C461-C485 WeakPolarHBondContact SG-CB 3.49Å; C461-C485 PolarHBondContact SG-N 2.83Å; C461-C485 VanDerWaalsContact SG-N 3.36Å; C461-C485 CovalentContact SG-SG 2.03Å; C461-C485 PolarHBondContact SG-SG 2.86Å; C461-V492 HydrophobicContact CB-CG2 4.23Å; C461-V580 WeakPolarHBondContact O-CA 3.34Å; C461-L581 HydrophobicContact CB-CB 4.23Å; C461-L581 HydrophobicContact CB-CD1 4.49Å; C461-L581 PolarHBondContact N-O 2.96Å; C461-L581 PolarHBondContact O-N 2.91Å
462	V	98.1	Very high	95.7	Very high	79 Å²	79	64.8 Å²	64.8	48%	0.479	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	122.2	-177.4	-178.7	0	0	0	0	108.4	K460 T578 V580	K460-V462 HydrophobicContact CD-CG2 4.35Å; K460-V462 HydrophobicContact CG-CG2 4.13Å; V462-T578 HydrophobicContact CG1-CG2 3.61Å; V462-V580 HydrophobicContact CG1-CG2 4.44Å; V462-V580 HydrophobicContact CG2-CG1 4.18Å
463	I	97.3	Very high	95.2	Very high	26 Å²	26	64.7 Å²	64.7	13%	0.133	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	110.1	-171.2	-47.7	179.9	0	0	0	109.5	I465 V482 T578 L579 L581	I463-I465 HydrophobicContact CB-CD1 4.3Å; I463-I465 HydrophobicContact CG2-CD1 3.81Å; I463-I465 PolarHBondContact O-N 2.61Å; I463-V482 HydrophobicContact CD1-CB 3.76Å; I463-V482 HydrophobicContact CD1-CG1 3.88Å; I463-V482 HydrophobicContact CD1-CG2 4.23Å; I463-V482 HydrophobicContact CG2-CG1 4.35Å; I463-T578 CarbonylContact O-C 3.25Å; I463-T578 WeakPolarHBondContact O-CA 3.48Å; I463-L579 HydrophobicContact CB-CB 4.44Å; I463-L579 PolarHBondContact N-O 3.04Å; I463-L579 PolarHBondContact O-N 3.34Å; I463-L581 HydrophobicContact CD1-CD1 3.95Å
464	S	96.4	Very high	94.7	Very high	86 Å²	86	62.2 Å²	62.2	60%	0.601	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.9	114.7	169.6	-56.7	0	0	0	0	109.5
465	I	94.9	Very high	94.5	Very high	8 Å²	8	63.5 Å²	63.5	4%	0.041	36%	0.363	C	S	.	.			trans	-85.3	-47.5	-172.2	-56.3	-65.3	0	0	0	111	I463 I478 K480 V482 F577 L579	I463-I465 HydrophobicContact CB-CD1 4.3Å; I463-I465 HydrophobicContact CG2-CD1 3.81Å; I463-I465 PolarHBondContact O-N 2.61Å; I465-I478 HydrophobicContact CG2-CG2 3.8Å; I465-K480 HydrophobicContact CD1-CB 4.08Å; I465-K480 HydrophobicContact CD1-CG 3.76Å; I465-K480 HydrophobicContact CG2-CB 3.78Å; I465-K480 HydrophobicContact CG2-CD 4.19Å; I465-K480 HydrophobicContact CG2-CG 4.02Å; I465-K480 PolarHBondContact O-NZ 3.03Å; I465-V482 HydrophobicContact CD1-CG1 4.44Å; I465-F577 HydrophobicContact CB-CB 4.31Å; I465-F577 HydrophobicContact CB-CD1 3.51Å; I465-F577 HydrophobicContact CB-CE1 3.9Å; I465-F577 HydrophobicContact CB-CG 3.91Å; I465-F577 WeakPolarHBondContact CB-O 3.33Å; I465-F577 HydrophobicContact CG1-CD1 3.73Å; I465-F577 HydrophobicContact CG1-CD2 4.21Å; I465-F577 HydrophobicContact CG1-CE1 3.69Å; I465-F577 HydrophobicContact CG1-CE2 4.15Å; I465-F577 HydrophobicContact CG1-CG 3.99Å; I465-F577 HydrophobicContact CG1-CZ 3.9Å; I465-F577 HydrophobicContact CG2-CD1 3.53Å; I465-F577 HydrophobicContact CG2-CE1 3.71Å; I465-F577 HydrophobicContact CG2-CG 4.41Å; I465-F577 PolarHBondContact N-O 2.91Å; I465-L579 HydrophobicContact CD1-CB 3.8Å; I465-L579 HydrophobicContact CD1-CD2 4.28Å; I465-L579 HydrophobicContact CG1-CB 3.9Å
466	L	92.8	Very high	94.5	Very high	30 Å²	30	62.8 Å²	62.8	16%	0.157	36%	0.358	C	S	.	.			trans	-84.4	139.9	-179.5	-73.5	179	0	0	0	112.7	R470 I478 L574 F577	L466-R470 HydrophobicContact CD2-CG 3.74Å; L466-I478 HydrophobicContact CD2-CD1 3.89Å; L466-I478 HydrophobicContact CG-CD1 4.46Å; L466-L574 HydrophobicContact CD1-CD2 3.79Å; L466-L574 HydrophobicContact CD1-CG 3.73Å; L466-F577 HydrophobicContact CD1-CB 4.08Å; L466-F577 HydrophobicContact CG-CB 4.1Å
467	T	88.1	Confident	94.7	Very high	135 Å²	135	65.2 Å²	65.2	83%	0.828	36%	0.361	S	S	*	.	S	Bend	trans	-106.3	-19.7	169.5	51.5	0	0	0	0	112.6
468	E	93.4	Very high	94.8	Very high	102 Å²	102	60.4 Å²	60.4	48%	0.477	33%	0.329	S	S	.	.	S	Bend	trans	-147.2	151.8	-178.2	62.5	-174.4	172.7	0	0	109.8	R470	E468-R470 IonicContact OE1-CZ 3.91Å; E468-R470 IonicContact OE1-NH1 2.91Å; E468-R470 PolarHBondContact OE1-NH1 2.78Å; E468-R470 IonicContact OE1-NH2 2.99Å
469	P	96.3	Very high	94.8	Very high	82 Å²	82	61.6 Å²	61.6	53%	0.532	34%	0.337	S	S	.	.			trans	-61.7	145.6	176.7	-22.9	34.3	0	0	0	113	T573 L574 T575	P469-T573 HydrophobicContact CB-CG2 3.63Å; P469-L574 CarbonylContact C-O 3.58Å; P469-L574 WeakPolarHBondContact CA-O 3.36Å; P469-T575 HydrophobicContact CB-CG2 4.37Å
470	R	96.5	Very high	94.9	Very high	105 Å²	105	63.1 Å²	63.1	40%	0.396	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	127.1	177.2	-69	-62.2	-161.9	-140	-2.4	110.7	L466 E468 I472 L476 I478 T573 L574	L466-R470 HydrophobicContact CD2-CG 3.74Å; E468-R470 IonicContact OE1-CZ 3.91Å; E468-R470 IonicContact OE1-NH1 2.91Å; E468-R470 PolarHBondContact OE1-NH1 2.78Å; E468-R470 IonicContact OE1-NH2 2.99Å; R470-I472 PolarHBondContact O-N 2.86Å; R470-L476 HydrophobicContact CB-CD1 3.96Å; R470-L476 HydrophobicContact CB-CD2 3.78Å; R470-L476 HydrophobicContact CG-CD1 4.35Å; R470-I478 HydrophobicContact CG-CD1 4.36Å; R470-T573 CarbonylContact O-C 3.32Å; R470-T573 WeakPolarHBondContact O-CA 3.41Å; R470-T573 WeakPolarHBondContact O-CG2 3.45Å; R470-L574 PolarHBondContact N-O 3.37Å; R470-L574 PolarHBondContact O-N 3.13Å
471	N	94.9	Very high	94.8	Very high	112 Å²	112	64.3 Å²	64.3	60%	0.599	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.6	131.8	167	-173	-17.5	0	0	0	108.7	G473 G572	N471-G473 PolarHBondContact OD1-N 3.36Å; N471-G572 PolarHBondContact OD1-O 3.39Å
472	I	94.2	Very high	94.8	Very high	2 Å²	2	64.9 Å²	64.9	1%	0.01	36%	0.359	C	S	.	.			trans	-77.4	-38.6	-179.6	-66.3	164.3	0	0	0	110.8	R470 S474 H475 L476 L504 Y506 L512 I562 G572 L574	R470-I472 PolarHBondContact O-N 2.86Å; I472-S474 PolarHBondContact O-N 2.74Å; I472-H475 CarbonylContact O-C 3.4Å; I472-H475 PolarHBondContact O-N 3.23Å; I472-L476 HydrophobicContact CG1-CD2 3.97Å; I472-L504 HydrophobicContact CD1-CB 4.17Å; I472-L504 HydrophobicContact CD1-CD1 4.23Å; I472-Y506 HydrophobicContact CB-CD2 4.42Å; I472-Y506 HydrophobicContact CB-CE2 3.91Å; I472-Y506 HydrophobicContact CD1-CD2 3.79Å; I472-Y506 HydrophobicContact CD1-CE2 4.14Å; I472-Y506 HydrophobicContact CG2-CD2 4.39Å; I472-Y506 HydrophobicContact CG2-CE2 3.66Å; I472-L512 HydrophobicContact CG2-CD2 4.39Å; I472-I562 HydrophobicContact CG2-CB 4.4Å; I472-I562 HydrophobicContact CG2-CG2 3.66Å; I472-G572 PolarHBondContact N-O 3.03Å; I472-L574 HydrophobicContact CD1-CB 4.38Å; I472-L574 HydrophobicContact CG1-CB 4.22Å
473	G	86.8	Confident	94.6	Very high	26 Å²	26	65.4 Å²	65.4	27%	0.268	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	-135.4	-175	0	0	0	0	0	112.5	N471 Y506	N471-G473 PolarHBondContact OD1-N 3.36Å; G473-Y506 PolarHBondContact O-OH 3.46Å
474	S	88.6	Confident	94.5	Very high	70 Å²	70	64.2 Å²	64.2	49%	0.49	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-27.9	171.7	54.2	0	0	0	0	113.8	I472 N564	I472-S474 PolarHBondContact O-N 2.74Å; S474-N564 PolarHBondContact O-N 3.24Å
475	H	93.4	Very high	94.4	Very high	91 Å²	91	61.4 Å²	61.4	42%	0.421	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	126.6	-177.8	-177.7	-160.2	0	0	0	110.3	I472 L477 E561 I562	I472-H475 CarbonylContact O-C 3.4Å; I472-H475 PolarHBondContact O-N 3.23Å; H475-L477 WeakPolarHBondContact NE2-CD2 3.28Å; H475-L477 WeakPolarHBondContact NE2-CG 3.24Å; H475-E561 IonicContact NE2-OE1 3.15Å; H475-I562 WeakPolarHBondContact CA-O 3.41Å
476	L	95.6	Very high	94.4	Very high	17 Å²	17	65.7 Å²	65.7	9%	0.089	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	125.8	177	171.1	63.9	0	0	0	110.6	R470 I472 I478 I562 L574	R470-L476 HydrophobicContact CB-CD1 3.96Å; R470-L476 HydrophobicContact CB-CD2 3.78Å; R470-L476 HydrophobicContact CG-CD1 4.35Å; I472-L476 HydrophobicContact CG1-CD2 3.97Å; L476-I478 HydrophobicContact CD1-CD1 4.36Å; L476-I478 HydrophobicContact CD1-CG1 4.12Å; L476-I478 HydrophobicContact CD2-CD1 4.06Å; L476-I478 HydrophobicContact CG-CD1 4.19Å; L476-I478 HydrophobicContact CG-CG1 4.26Å; L476-I562 HydrophobicContact CB-CB 4.44Å; L476-I562 PolarHBondContact N-O 2.97Å; L476-I562 PolarHBondContact O-N 2.95Å; L476-L574 HydrophobicContact CD2-CB 4.11Å; L476-L574 HydrophobicContact CD2-CD2 4.04Å
477	L	97.2	Very high	94.2	Very high	88 Å²	88	67 Å²	67	46%	0.461	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	132.1	173.4	-68.7	172.9	0	0	0	110.2	H475 R559 L560 E561	H475-L477 WeakPolarHBondContact NE2-CD2 3.28Å; H475-L477 WeakPolarHBondContact NE2-CG 3.24Å; L477-R559 HydrophobicContact CD2-CG 4.38Å; L477-L560 WeakPolarHBondContact CA-O 3.49Å; L477-E561 HydrophobicContact CD2-CB 3.74Å; L477-E561 HydrophobicContact CD2-CG 3.87Å
478	I	97.4	Very high	94.3	Very high	18 Å²	18	63 Å²	63	9%	0.092	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	107.8	175.6	-64.2	162.1	0	0	0	108.9	I465 L466 R470 L476 R559 L560 L574 F577	I465-I478 HydrophobicContact CG2-CG2 3.8Å; L466-I478 HydrophobicContact CD2-CD1 3.89Å; L466-I478 HydrophobicContact CG-CD1 4.46Å; R470-I478 HydrophobicContact CG-CD1 4.36Å; L476-I478 HydrophobicContact CD1-CD1 4.36Å; L476-I478 HydrophobicContact CD1-CG1 4.12Å; L476-I478 HydrophobicContact CD2-CD1 4.06Å; L476-I478 HydrophobicContact CG-CD1 4.19Å; L476-I478 HydrophobicContact CG-CG1 4.26Å; I478-R559 WeakPolarHBondContact O-CA 3.36Å; I478-L560 HydrophobicContact CB-CB 4.43Å; I478-L560 HydrophobicContact CD1-CD2 4.45Å; I478-L560 PolarHBondContact N-O 3.43Å; I478-L560 PolarHBondContact O-N 3.43Å; I478-L574 HydrophobicContact CD1-CD2 3.47Å; I478-L574 VanDerWaalsContact CD1-CD2 3.47Å; I478-F577 HydrophobicContact CG2-CD1 4.44Å
479	D	97.1	Very high	94.2	Very high	86 Å²	86	64.7 Å²	64.7	46%	0.46	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	131.4	172.1	-75.9	14.4	0	0	0	110.1	V557 W558 R559	D479-V557 HydrophobicContact CB-CG1 4.08Å; D479-W558 WeakPolarHBondContact CA-O 3.3Å; D479-R559 WeakPolarHBondContact OD1-CB 3.5Å; D479-R559 VanDerWaalsContact OD1-CG 3.23Å; D479-R559 WeakPolarHBondContact OD1-CG 2.98Å; D479-R559 IonicContact OD1-CZ 3.92Å; D479-R559 IonicContact OD1-NE 2.65Å; D479-R559 PolarHBondContact OD1-NE 3.3Å; D479-R559 IonicContact OD1-NH2 3.48Å; D479-R559 IonicContact OD2-CZ 2.81Å; D479-R559 IonicContact OD2-NE 3.59Å; D479-R559 IonicContact OD2-NH2 2.75Å; D479-R559 PolarHBondContact OD2-NH2 3.11Å
480	K	97.3	Very high	94.1	Very high	70 Å²	70	63 Å²	63	30%	0.304	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	121.6	174.2	-171.4	79.3	168.4	-152.9	0	110.6	I465 V482 V557 W558	I465-K480 HydrophobicContact CD1-CB 4.08Å; I465-K480 HydrophobicContact CD1-CG 3.76Å; I465-K480 HydrophobicContact CG2-CB 3.78Å; I465-K480 HydrophobicContact CG2-CD 4.19Å; I465-K480 HydrophobicContact CG2-CG 4.02Å; I465-K480 PolarHBondContact O-NZ 3.03Å; K480-V482 HydrophobicContact CG-CG1 4.06Å; K480-V557 WeakPolarHBondContact O-CA 3.08Å; K480-W558 PolarHBondContact N-O 3.45Å; K480-W558 PolarHBondContact O-N 2.96Å
481	N	97.4	Very high	94	Very high	118 Å²	118	59.9 Å²	59.9	63%	0.631	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	129.3	166.5	-166.9	29	0	0	0	109.7	G556 V557	N481-G556 WeakPolarHBondContact CA-O 3.43Å; N481-G556 VanDerWaalsContact OD1-CA 3.31Å; N481-G556 WeakPolarHBondContact OD1-CA 3.47Å; N481-G556 PolarHBondContact OD1-O 3.05Å; N481-V557 HydrophobicContact CB-CG2 4.21Å
482	V	96	Very high	94.1	Very high	11 Å²	11	54.5 Å²	54.5	7%	0.067	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	147.4	178.6	-49	0	0	0	0	111.2	I463 I465 K480 P554 G556 L579	I463-V482 HydrophobicContact CD1-CB 3.76Å; I463-V482 HydrophobicContact CD1-CG1 3.88Å; I463-V482 HydrophobicContact CD1-CG2 4.23Å; I463-V482 HydrophobicContact CG2-CG1 4.35Å; I465-V482 HydrophobicContact CD1-CG1 4.44Å; K480-V482 HydrophobicContact CG-CG1 4.06Å; V482-P554 VanDerWaalsContact CG2-O 3.31Å; V482-P554 WeakPolarHBondContact CG2-O 3.34Å; V482-G556 PolarHBondContact N-O 3.25Å; V482-G556 PolarHBondContact O-N 3.19Å; V482-L579 HydrophobicContact CG1-CD2 4.38Å
483	D	94.4	Very high	94.2	Very high	91 Å²	91	56.5 Å²	56.5	49%	0.487	33%	0.328	S	S	.	.			trans	-96.5	1.6	174.5	61.4	10.3	0	0	0	113.2	C485 L486 S555	D483-C485 VanDerWaalsContact C-N 3.29Å; D483-C485 PolarHBondContact O-N 2.91Å; D483-C485 PolarHBondContact OD1-N 2.9Å; D483-L486 HydrophobicContact CB-CB 3.96Å; D483-L486 WeakPolarHBondContact O-CB 3.29Å; D483-L486 PolarHBondContact O-N 2.84Å; D483-S555 PolarHBondContact O-OG 2.88Å
484	A	95.2	Very high	94.7	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	36.4	-174.4	0	0	0	0	0	114.9	Y491 V492 P554 L581	A484-Y491 WeakPolarHBondContact O-CA 3.14Å; A484-Y491 WeakPolarHBondContact O-CD2 3.25Å; A484-V492 PolarHBondContact O-N 2.9Å; A484-P554 HydrophobicContact CB-CB 4.2Å; A484-P554 HydrophobicContact CB-CG 3.63Å; A484-L581 HydrophobicContact CB-CD1 4.01Å
485	C	95.3	Very high	95.1	Very high	28 Å²	28	53.2 Å²	53.2	19%	0.189	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.8	36	-178.2	-59	0	0	0	0	113.6	C461 D483 G487 S488 Y491	C461-C485 WeakPolarHBondContact CA-SG 3.47Å; C461-C485 HydrophobicContact CB-CB 3.76Å; C461-C485 WeakPolarHBondContact CB-SG 3.5Å; C461-C485 WeakPolarHBondContact SG-CB 3.49Å; C461-C485 PolarHBondContact SG-N 2.83Å; C461-C485 VanDerWaalsContact SG-N 3.36Å; C461-C485 CovalentContact SG-SG 2.03Å; C461-C485 PolarHBondContact SG-SG 2.86Å; D483-C485 VanDerWaalsContact C-N 3.29Å; D483-C485 PolarHBondContact O-N 2.91Å; D483-C485 PolarHBondContact OD1-N 2.9Å; C485-G487 PolarHBondContact O-N 3.3Å; C485-S488 WeakPolarHBondContact CB-OG 3.43Å; C485-S488 PolarHBondContact O-N 3.02Å; C485-S488 PolarHBondContact O-OG 3.24Å; C485-Y491 WeakPolarHBondContact O-CA 3.27Å; C485-Y491 WeakPolarHBondContact O-CB 3.48Å
486	L	93.6	Very high	95.4	Very high	98 Å²	98	49 Å²	49	51%	0.513	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	134.6	176.1	-178.8	64.7	0	0	0	112.2	D483 Y491	D483-L486 HydrophobicContact CB-CB 3.96Å; D483-L486 WeakPolarHBondContact O-CB 3.29Å; D483-L486 PolarHBondContact O-N 2.84Å; L486-Y491 VanDerWaalsContact CA-CD2 3.44Å; L486-Y491 HydrophobicContact CB-CD2 4.1Å; L486-Y491 HydrophobicContact CB-CE2 4.01Å; L486-Y491 HydrophobicContact CD1-CD1 4.3Å; L486-Y491 HydrophobicContact CD1-CD2 4.17Å; L486-Y491 HydrophobicContact CD1-CE1 3.82Å; L486-Y491 HydrophobicContact CD1-CE2 3.7Å; L486-Y491 HydrophobicContact CD1-CG 4.46Å; L486-Y491 VanDerWaalsContact CD1-CZ 3.5Å; L486-Y491 HydrophobicContact CG-CE2 4.47Å
487	G	89.4	Confident	95.6	Very high	58 Å²	58	48.2 Å²	48.2	60%	0.598	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	8.8	-179.5	0	0	0	0	0	115.1	C485	C485-G487 PolarHBondContact O-N 3.3Å
488	S	91.3	Very high	95.6	Very high	49 Å²	49	44 Å²	44	34%	0.343	26%	0.256	S	S	.	.	S	Bend	trans	-123.3	165	173.7	75.3	0	0	0	0	112.4	C485 S490 Y491	C485-S488 WeakPolarHBondContact CB-OG 3.43Å; C485-S488 PolarHBondContact O-N 3.02Å; C485-S488 PolarHBondContact O-OG 3.24Å; S488-S490 PolarHBondContact O-N 3.49Å; S488-S490 PolarHBondContact OG-N 2.82Å; S488-Y491 WeakPolarHBondContact O-CB 3.44Å; S488-Y491 PolarHBondContact O-N 2.94Å
489	D	89.9	Confident	95.7	Very high	139 Å²	139	43.9 Å²	43.9	74%	0.743	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-18.2	172	-69.1	-41.2	0	0	0	113.3	R459 Y491	R459-D489 WeakPolarHBondContact CD-O 3.49Å; R459-D489 WeakPolarHBondContact CG-O 3.4Å; R459-D489 PolarHBondContact NE-O 3.27Å; R459-D489 VanDerWaalsContact NE-O 3.09Å; D489-Y491 VanDerWaalsContact C-N 3.29Å
490	S	93.9	Very high	95.8	Very high	47 Å²	47	39.8 Å²	39.8	33%	0.329	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-1.4	171.9	-79.5	0	0	0	0	114	K460 S488 V492	K460-S490 VanDerWaalsContact O-CB 3.28Å; K460-S490 WeakPolarHBondContact O-CB 3.4Å; K460-S490 PolarHBondContact O-OG 3.17Å; S488-S490 PolarHBondContact O-N 3.49Å; S488-S490 PolarHBondContact OG-N 2.82Å; S490-V492 WeakPolarHBondContact O-CG2 3.38Å; S490-V492 PolarHBondContact O-N 2.9Å
491	Y	96	Very high	95.8	Very high	38 Å²	38	39.4 Å²	39.4	15%	0.149	23%	0.23	C	C	.	.			trans	-60.7	120.9	-176.7	179.9	-135.1	0	0	0	112.6	R459 A484 C485 L486 S488 D489 T493	R459-Y491 WeakPolarHBondContact CD-O 3.39Å; R459-Y491 PolarHBondContact NH1-O 3.3Å; A484-Y491 WeakPolarHBondContact O-CA 3.14Å; A484-Y491 WeakPolarHBondContact O-CD2 3.25Å; C485-Y491 WeakPolarHBondContact O-CA 3.27Å; C485-Y491 WeakPolarHBondContact O-CB 3.48Å; L486-Y491 VanDerWaalsContact CA-CD2 3.44Å; L486-Y491 HydrophobicContact CB-CD2 4.1Å; L486-Y491 HydrophobicContact CB-CE2 4.01Å; L486-Y491 HydrophobicContact CD1-CD1 4.3Å; L486-Y491 HydrophobicContact CD1-CD2 4.17Å; L486-Y491 HydrophobicContact CD1-CE1 3.82Å; L486-Y491 HydrophobicContact CD1-CE2 3.7Å; L486-Y491 HydrophobicContact CD1-CG 4.46Å; L486-Y491 VanDerWaalsContact CD1-CZ 3.5Å; L486-Y491 HydrophobicContact CG-CE2 4.47Å; S488-Y491 WeakPolarHBondContact O-CB 3.44Å; S488-Y491 PolarHBondContact O-N 2.94Å; D489-Y491 VanDerWaalsContact C-N 3.29Å; Y491-T493 HydrophobicContact CD1-CG2 3.94Å; Y491-T493 HydrophobicContact CE1-CG2 3.27Å; Y491-T493 HydrophobicContact CE2-CG2 4.15Å
492	V	97.1	Very high	95.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.2	C	C	.	.			trans	-107.5	126.5	179.2	-175.3	0	0	0	0	110.3	R459 C461 A484 S490 L495 P554	R459-V492 HydrophobicContact CB-CG2 4.06Å; C461-V492 HydrophobicContact CB-CG2 4.23Å; A484-V492 PolarHBondContact O-N 2.9Å; S490-V492 WeakPolarHBondContact O-CG2 3.38Å; S490-V492 PolarHBondContact O-N 2.9Å; V492-L495 HydrophobicContact CG1-CD2 4.27Å; V492-P554 HydrophobicContact CB-CG 4.12Å; V492-P554 HydrophobicContact CG1-CG 4.03Å; V492-P554 WeakPolarHBondContact O-CG 3.14Å
493	T	94.9	Very high	96	Very high	43 Å²	43	34.5 Å²	34.5	26%	0.264	20%	0.204	S	C	.	.	S	Bend	trans	-114.4	-16.6	175.2	61.8	0	0	0	0	113.8	Y491 N553 T584 G585	Y491-T493 HydrophobicContact CD1-CG2 3.94Å; Y491-T493 HydrophobicContact CE1-CG2 3.27Å; Y491-T493 HydrophobicContact CE2-CG2 4.15Å; T493-N553 WeakPolarHBondContact O-CA 3.43Å; T493-T584 PolarHBondContact N-O 3.11Å; T493-G585 WeakPolarHBondContact OG1-CA 3.2Å
494	S	97.1	Very high	96.2	Very high	28 Å²	28	30.2 Å²	30.2	20%	0.196	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	109.1	178.6	-173.8	0	0	0	0	108	G583 T584	S494-G583 WeakPolarHBondContact O-CA 3.43Å; S494-T584 PolarHBondContact N-O 2.8Å; S494-T584 PolarHBondContact O-N 3.24Å
495	L	98.6	Very high	96.2	Very high	0 Å²	0	34 Å²	34	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	150.8	-177.5	-82.6	177.5	0	0	0	113.6	V492 V498 S549 D551 E552 P554 W558 L581 Y582	V492-L495 HydrophobicContact CG1-CD2 4.27Å; L495-V498 HydrophobicContact CD1-CG2 3.61Å; L495-V498 HydrophobicContact CD2-CG2 3.59Å; L495-V498 HydrophobicContact CG-CG2 4.19Å; L495-S549 WeakPolarHBondContact CB-O 3.31Å; L495-D551 PolarHBondContact O-N 2.86Å; L495-E552 WeakPolarHBondContact CB-O 3.4Å; L495-E552 HydrophobicContact CD1-CB 4.35Å; L495-E552 PolarHBondContact N-O 2.9Å; L495-P554 HydrophobicContact CD1-CB 3.94Å; L495-P554 HydrophobicContact CD2-CB 3.89Å; L495-P554 HydrophobicContact CD2-CG 4.06Å; L495-P554 HydrophobicContact CG-CB 3.82Å; L495-P554 HydrophobicContact CG-CG 4.01Å; L495-W558 HydrophobicContact CD1-CH2 4Å; L495-W558 HydrophobicContact CD1-CZ2 4.03Å; L495-L581 HydrophobicContact CD2-CB 4.06Å; L495-L581 HydrophobicContact CD2-CD2 4.13Å; L495-Y582 WeakPolarHBondContact CD2-O 3.48Å
496	E	98.8	Very high	96.2	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	-93.1	160.6	-69.8	168.1	175.3	0	0	107.1	R402 H406 Q458 W550 Y582	R402-E496 IonicContact CZ-OE1 3.6Å; R402-E496 VanDerWaalsContact CZ-OE1 3.31Å; R402-E496 IonicContact CZ-OE2 3.68Å; R402-E496 IonicContact NE-OE1 3.52Å; R402-E496 PolarHBondContact NE-OE1 3.46Å; R402-E496 VanDerWaalsContact NE-OE1 3.17Å; R402-E496 IonicContact NE-OE2 3.84Å; R402-E496 PolarHBondContact NE-OE2 2.96Å; R402-E496 IonicContact NH2-OE1 3.33Å; R402-E496 PolarHBondContact NH2-OE1 3.12Å; R402-E496 IonicContact NH2-OE2 3.42Å; R402-E496 PolarHBondContact NH2-OE2 2.93Å; H406-E496 IonicContact CD2-OE1 3.73Å; H406-E496 IonicContact CE1-OE1 2.8Å; H406-E496 WeakPolarHBondContact NE2-CG 3.25Å; H406-E496 IonicContact NE2-OE1 3.51Å; H406-E496 PolarHBondContact NE2-OE1 3.4Å; Q458-E496 PolarHBondContact NE2-OE2 2.61Å; E496-W550 HydrophobicContact CB-CD2 4.39Å; E496-W550 HydrophobicContact CB-CE3 4.36Å; E496-W550 HydrophobicContact CB-CH2 3.9Å; E496-W550 HydrophobicContact CB-CZ2 3.91Å; E496-W550 HydrophobicContact CB-CZ3 4.13Å; E496-W550 HydrophobicContact CG-CH2 4.24Å; E496-W550 HydrophobicContact CG-CZ2 3.78Å; E496-W550 VanDerWaalsContact O-CE3 3.26Å; E496-Y582 PolarHBondContact N-O 3.05Å
497	H	98.9	Very high	96.3	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	147.4	175.7	-39.3	84.9	0	0	0	112.1	I323 Q405 M545 W550 Y582	I323-H497 HydrophobicContact CB-CB 4.25Å; I323-H497 HydrophobicContact CG2-CB 3.51Å; I323-H497 VanDerWaalsContact CG2-CG 3.49Å; I323-H497 PolarHBondContact O-NE2 2.92Å; Q405-H497 PolarHBondContact OE1-CE1 3.02Å; Q405-H497 VanDerWaalsContact OE1-CE1 3.23Å; Q405-H497 PolarHBondContact OE1-NE2 2.8Å; H497-M545 HydrophobicContact CB-CG 4.39Å; H497-M545 HydrophobicContact CB-SD 4.27Å; H497-W550 AromaticContact CD2-CZ3 3.84Å; H497-W550 AromaticContact CE1-CH2 3.82Å; H497-W550 AromaticContact CE1-CZ3 3.97Å; H497-W550 AromaticContact NE2-CH2 3.78Å; H497-W550 AromaticContact NE2-CZ3 3.61Å; H497-Y582 HydrophobicContact CB-CD2 4.26Å; H497-Y582 HydrophobicContact CB-CG 4.5Å; H497-Y582 WeakPolarHBondContact O-CB 3.4Å; H497-Y582 PolarHBondContact O-N 3.01Å
498	V	98.9	Very high	96.6	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	133.1	166.8	175.9	0	0	0	0	108.9	L495 L516 M545 T546 W558 L579 V580 L581	L495-V498 HydrophobicContact CD1-CG2 3.61Å; L495-V498 HydrophobicContact CD2-CG2 3.59Å; L495-V498 HydrophobicContact CG-CG2 4.19Å; V498-L516 HydrophobicContact CG1-CD2 3.79Å; V498-M545 CarbonylContact O-C 3.59Å; V498-M545 WeakPolarHBondContact O-CA 3.24Å; V498-T546 HydrophobicContact CB-CG2 3.82Å; V498-T546 HydrophobicContact CG1-CG2 4.3Å; V498-T546 PolarHBondContact N-O 2.89Å; V498-T546 PolarHBondContact O-N 2.85Å; V498-W558 HydrophobicContact CG1-CH2 4.1Å; V498-W558 HydrophobicContact CG1-CZ3 4.08Å; V498-W558 HydrophobicContact CG2-CH2 3.91Å; V498-L579 HydrophobicContact CG1-CD1 3.66Å; V498-V580 WeakPolarHBondContact CA-O 3.28Å; V498-L581 HydrophobicContact CG1-CD2 4.04Å; V498-L581 HydrophobicContact CG2-CD2 3.99Å
499	Q	98.8	Very high	96.8	Very high	14 Å²	14	30.2 Å²	30.2	7%	0.065	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	132.6	170.3	-58.3	-176.7	-34.5	0	0	110.9	R501 F544 M545 V580 Y582	Q499-R501 HydrophobicContact CB-CG 4.45Å; Q499-F544 CarbonylContact C-O 3.34Å; Q499-F544 VanDerWaalsContact CA-O 3.24Å; Q499-F544 WeakPolarHBondContact CA-O 3.42Å; Q499-M545 HydrophobicContact CG-CB 4.34Å; Q499-M545 HydrophobicContact CG-CG 4.16Å; Q499-V580 HydrophobicContact CB-CB 4.21Å; Q499-V580 PolarHBondContact N-O 3.2Å; Q499-V580 PolarHBondContact O-N 3.42Å; Q499-Y582 HydrophobicContact CG-CE2 4.25Å
500	A	98.6	Very high	97.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	104.2	160.7	0	0	0	0	0	108.1	L502 L516 L526 F544 F577	A500-L502 HydrophobicContact CB-CD2 4.37Å; A500-L516 HydrophobicContact CB-CD2 4.39Å; A500-L526 HydrophobicContact CB-CD1 3.6Å; A500-F544 PolarHBondContact N-O 3.47Å; A500-F544 PolarHBondContact O-N 2.83Å; A500-F577 HydrophobicContact CB-CD2 4.35Å; A500-F577 HydrophobicContact CB-CE2 3.72Å
501	R	98.6	Very high	97.2	Very high	63 Å²	63	22.1 Å²	22.1	24%	0.238	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	113.1	176.4	-54.2	-168.8	172.5	-150.2	-6	109.6	Q499 D541 W542 A543 F577 T578 V580	Q499-R501 HydrophobicContact CB-CG 4.45Å; R501-D541 IonicContact NH1-OD2 3.63Å; R501-W542 WeakPolarHBondContact CA-O 3.28Å; R501-A543 HydrophobicContact CG-CB 3.84Å; R501-F577 WeakPolarHBondContact O-CA 3.43Å; R501-T578 PolarHBondContact N-O 3.04Å; R501-T578 PolarHBondContact O-N 2.58Å; R501-V580 HydrophobicContact CG-CG2 4.23Å
502	L	98.5	Very high	97.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	129.3	-172.9	-54.3	-177.1	0	0	0	110.8	A500 L504 I514 D541 W542 F544 L560 L574 Q576 F577	A500-L502 HydrophobicContact CB-CD2 4.37Å; L502-L504 HydrophobicContact CB-CD2 4.42Å; L502-I514 HydrophobicContact CD1-CD1 4.04Å; L502-I514 HydrophobicContact CD1-CG2 4Å; L502-D541 PolarHBondContact O-N 3.38Å; L502-W542 PolarHBondContact N-O 3.3Å; L502-W542 PolarHBondContact O-N 3.31Å; L502-F544 HydrophobicContact CB-CD2 4.41Å; L502-F544 HydrophobicContact CB-CE2 4.27Å; L502-F544 HydrophobicContact CD1-CD2 3.83Å; L502-F544 HydrophobicContact CD1-CE2 3.85Å; L502-F544 HydrophobicContact CG-CD2 4.06Å; L502-F544 HydrophobicContact CG-CE2 4.28Å; L502-L560 HydrophobicContact CD1-CD1 4.41Å; L502-L560 HydrophobicContact CD1-CD2 4.49Å; L502-L560 HydrophobicContact CD2-CD2 3.77Å; L502-L574 HydrophobicContact CB-CD1 4.22Å; L502-L574 HydrophobicContact CD2-CD1 4.14Å; L502-Q576 WeakPolarHBondContact CA-O 3.48Å; L502-F577 HydrophobicContact CD2-CB 3.87Å; L502-F577 HydrophobicContact CD2-CD2 3.46Å; L502-F577 VanDerWaalsContact CD2-CD2 3.46Å; L502-F577 HydrophobicContact CD2-CE2 4.24Å; L502-F577 HydrophobicContact CD2-CG 3.79Å
503	T	98.5	Very high	97.3	Very high	25 Å²	25	20.5 Å²	20.5	15%	0.153	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	115.7	162.1	-54.3	0	0	0	0	107.4	F539 D541 T575 Q576	T503-F539 CarbonylContact C-O 3.58Å; T503-F539 VanDerWaalsContact CA-O 3.31Å; T503-F539 WeakPolarHBondContact CA-O 3.26Å; T503-D541 PolarHBondContact OG1-N 2.96Å; T503-T575 WeakPolarHBondContact CG2-OG1 3.49Å; T503-T575 PolarHBondContact O-N 2.88Å; T503-T575 PolarHBondContact O-OG1 3.45Å; T503-T575 VanDerWaalsContact O-OG1 3.08Å; T503-Q576 PolarHBondContact N-O 3.04Å; T503-Q576 PolarHBondContact O-N 3.5Å; T503-Q576 VanDerWaalsContact O-N 3.14Å
504	L	97.9	Very high	97.5	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.01	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	144.8	179.4	68.5	91.3	0	0	0	111.3	I472 L502 L512 I514 G538 F539 I562 T573 L574	I472-L504 HydrophobicContact CD1-CB 4.17Å; I472-L504 HydrophobicContact CD1-CD1 4.23Å; L502-L504 HydrophobicContact CB-CD2 4.42Å; L504-L512 HydrophobicContact CD1-CD1 3.74Å; L504-I514 HydrophobicContact CD2-CD1 4.36Å; L504-G538 WeakPolarHBondContact O-CA 3.2Å; L504-F539 HydrophobicContact CD1-CD2 4.11Å; L504-F539 HydrophobicContact CD2-CD2 4.14Å; L504-F539 HydrophobicContact CG-CB 4.28Å; L504-F539 HydrophobicContact CG-CD2 4.13Å; L504-F539 PolarHBondContact N-O 2.83Å; L504-F539 PolarHBondContact O-N 2.66Å; L504-F539 VanDerWaalsContact O-O 3.12Å; L504-I562 HydrophobicContact CD2-CD1 4.33Å; L504-T573 VanDerWaalsContact CA-O 3.26Å; L504-T573 WeakPolarHBondContact CA-O 3.39Å; L504-L574 HydrophobicContact CB-CB 4.38Å; L504-L574 HydrophobicContact CB-CD1 3.91Å; L504-L574 HydrophobicContact CD2-CD1 4.21Å
505	T	96.6	Very high	97.6	Very high	78 Å²	78	17.8 Å²	17.8	48%	0.479	9%	0.086	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	144.1	165.1	57.2	0	0	0	0	109.4	G572 T573	T505-G572 CarbonylContact O-C 3.54Å; T505-G572 WeakPolarHBondContact O-CA 3.26Å; T505-T573 PolarHBondContact N-O 2.97Å; T505-T573 PolarHBondContact O-N 2.85Å; T505-T573 PolarHBondContact OG1-N 3.41Å
506	Y	95.5	Very high	97.6	Very high	4 Å²	4	17.9 Å²	17.9	2%	0.016	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	140.3	172.9	-144.8	-108.5	0	0	0	109.6	I472 G473 R508 L512 S536 N564 D570	I472-Y506 HydrophobicContact CB-CD2 4.42Å; I472-Y506 HydrophobicContact CB-CE2 3.91Å; I472-Y506 HydrophobicContact CD1-CD2 3.79Å; I472-Y506 HydrophobicContact CD1-CE2 4.14Å; I472-Y506 HydrophobicContact CG2-CD2 4.39Å; I472-Y506 HydrophobicContact CG2-CE2 3.66Å; G473-Y506 PolarHBondContact O-OH 3.46Å; Y506-R508 VanDerWaalsContact C-N 3.31Å; Y506-R508 WeakPolarHBondContact CD1-O 3.1Å; Y506-R508 PolarHBondContact O-N 2.91Å; Y506-L512 HydrophobicContact CD1-CD1 4.14Å; Y506-L512 HydrophobicContact CD1-CD2 3.75Å; Y506-L512 HydrophobicContact CD1-CG 3.82Å; Y506-L512 HydrophobicContact CD2-CD1 4.45Å; Y506-L512 HydrophobicContact CD2-CD2 3.92Å; Y506-L512 HydrophobicContact CE1-CD2 3.58Å; Y506-L512 HydrophobicContact CE1-CG 4.04Å; Y506-L512 HydrophobicContact CE2-CD2 3.79Å; Y506-L512 HydrophobicContact CG-CD1 3.97Å; Y506-L512 HydrophobicContact CG-CD2 3.93Å; Y506-L512 HydrophobicContact CG-CG 4.11Å; Y506-S536 CarbonylContact O-C 3.55Å; Y506-S536 VanDerWaalsContact O-CA 3.31Å; Y506-S536 WeakPolarHBondContact O-CA 3.46Å; Y506-N564 WeakPolarHBondContact OH-CB 3.49Å; Y506-N564 PolarHBondContact OH-ND2 2.95Å; Y506-D570 HydrophobicContact CD1-CB 4.47Å; Y506-D570 HydrophobicContact CE1-CB 3.54Å; Y506-D570 WeakPolarHBondContact OH-CB 3.02Å
507	N	94.1	Very high	97.6	Very high	43 Å²	43	19 Å²	19	23%	0.23	9%	0.092	C	C	.	.	S	Bend	trans	-71	-23.1	-177.3	66.1	-69.1	0	0	0	114.1	D570 Y571	N507-D570 PolarHBondContact ND2-OD1 3.29Å; N507-D570 VanDerWaalsContact OD1-CA 3.26Å; N507-D570 WeakPolarHBondContact OD1-CA 3.06Å; N507-D570 WeakPolarHBondContact OD1-CB 3.4Å; N507-Y571 HydrophobicContact CB-CD1 4.42Å; N507-Y571 HydrophobicContact CB-CE1 3.96Å; N507-Y571 HydrophobicContact CB-CE2 4.12Å; N507-Y571 PolarHBondContact N-O 3.08Å; N507-Y571 PolarHBondContact OD1-N 2.81Å; N507-Y571 PolarHBondContact OD1-O 3.06Å; N507-Y571 VanDerWaalsContact OD1-O 3.08Å
508	R	95.2	Very high	97.6	Very high	91 Å²	91	19 Å²	19	34%	0.343	9%	0.093	S	C	.	.			trans	-145.4	93.2	173.9	179.8	161.6	179.9	-153.8	-1.2	111.6	Y506 G510 N511 P531 S535	Y506-R508 VanDerWaalsContact C-N 3.31Å; Y506-R508 WeakPolarHBondContact CD1-O 3.1Å; Y506-R508 PolarHBondContact O-N 2.91Å; R508-G510 VanDerWaalsContact C-N 3.3Å; R508-G510 PolarHBondContact O-N 3.27Å; R508-N511 HydrophobicContact CG-CB 4.47Å; R508-N511 PolarHBondContact NE-OD1 2.79Å; R508-N511 PolarHBondContact O-N 2.86Å; R508-N511 VanDerWaalsContact O-N 3.14Å; R508-P531 PolarHBondContact NH2-O 2.84Å; R508-S535 WeakPolarHBondContact CA-O 3.46Å
509	R	96.5	Very high	97.5	Very high	16 Å²	16	21.1 Å²	21.1	6%	0.06	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-54.1	-39.1	-172.6	-173.8	167.9	66.7	-162.8	-1.2	114.2	K272 V274 N511 L512 D533 S535 E537 G538 F539	K272-R509 PolarHBondContact O-NH2 3.18Å; V274-R509 VanDerWaalsContact CG2-CZ 3.44Å; R509-N511 PolarHBondContact O-N 3.08Å; R509-L512 WeakPolarHBondContact O-CB 2.73Å; R509-L512 PolarHBondContact O-N 2.83Å; R509-L512 VanDerWaalsContact O-N 3.16Å; R509-D533 WeakPolarHBondContact CG-OD2 3.23Å; R509-D533 IonicContact CZ-OD1 3.91Å; R509-D533 IonicContact CZ-OD2 3.73Å; R509-D533 IonicContact NE-OD1 2.73Å; R509-D533 PolarHBondContact NE-OD1 2.75Å; R509-D533 IonicContact NE-OD2 3.02Å; R509-D533 PolarHBondContact NE-OD2 2.82Å; R509-D533 IonicContact NH2-OD1 3.84Å; R509-D533 IonicContact NH2-OD2 2.7Å; R509-S535 WeakPolarHBondContact CB-O 3.41Å; R509-S535 PolarHBondContact N-O 3.16Å; R509-E537 IonicContact NH1-OE2 3.39Å; R509-G538 WeakPolarHBondContact CD-O 3.49Å; R509-G538 PolarHBondContact NH1-O 3.37Å; R509-F539 HydrophobicContact CG-CD2 4.22Å; R509-F539 HydrophobicContact CG-CE2 3.48Å; R509-F539 VanDerWaalsContact CG-CE2 3.48Å; R509-F539 HydrophobicContact CG-CZ 3.66Å
510	G	96.6	Very high	97.5	Very high	3 Å²	3	23.1 Å²	23.1	3%	0.031	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-65.4	-15.1	-179.9	0	0	0	0	0	116.8	R508 L512 P529 R530 D533	R508-G510 VanDerWaalsContact C-N 3.3Å; R508-G510 PolarHBondContact O-N 3.27Å; G510-L512 VanDerWaalsContact C-N 3.27Å; G510-P529 WeakPolarHBondContact O-CA 3.46Å; G510-R530 WeakPolarHBondContact CA-O 3.31Å; G510-R530 PolarHBondContact O-N 2.94Å; G510-D533 VanDerWaalsContact CA-O 3.28Å; G510-D533 WeakPolarHBondContact CA-O 3.4Å; G510-D533 PolarHBondContact N-O 3.3Å
511	N	95.8	Very high	97.5	Very high	13 Å²	13	25.7 Å²	25.7	7%	0.07	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-81.2	-6.1	176.1	-69.8	-3.6	0	0	0	112.9	R508 R509 N564 V565 A566 D570	R508-N511 HydrophobicContact CG-CB 4.47Å; R508-N511 PolarHBondContact NE-OD1 2.79Å; R508-N511 PolarHBondContact O-N 2.86Å; R508-N511 VanDerWaalsContact O-N 3.14Å; R509-N511 PolarHBondContact O-N 3.08Å; N511-N564 WeakPolarHBondContact O-CA 3.46Å; N511-N564 PolarHBondContact O-OD1 3.18Å; N511-V565 WeakPolarHBondContact O-CG2 3.48Å; N511-V565 PolarHBondContact O-N 3.04Å; N511-A566 HydrophobicContact CB-CB 4.08Å; N511-A566 WeakPolarHBondContact ND2-CB 3.1Å; N511-D570 PolarHBondContact ND2-OD2 2.81Å
512	L	97.2	Very high	97.5	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	133.9	178.9	-63.5	175.4	0	0	0	111.7	I472 L504 Y506 R509 G510 L527 F539 I562 E563	I472-L512 HydrophobicContact CG2-CD2 4.39Å; L504-L512 HydrophobicContact CD1-CD1 3.74Å; Y506-L512 HydrophobicContact CD1-CD1 4.14Å; Y506-L512 HydrophobicContact CD1-CD2 3.75Å; Y506-L512 HydrophobicContact CD1-CG 3.82Å; Y506-L512 HydrophobicContact CD2-CD1 4.45Å; Y506-L512 HydrophobicContact CD2-CD2 3.92Å; Y506-L512 HydrophobicContact CE1-CD2 3.58Å; Y506-L512 HydrophobicContact CE1-CG 4.04Å; Y506-L512 HydrophobicContact CE2-CD2 3.79Å; Y506-L512 HydrophobicContact CG-CD1 3.97Å; Y506-L512 HydrophobicContact CG-CD2 3.93Å; Y506-L512 HydrophobicContact CG-CG 4.11Å; R509-L512 WeakPolarHBondContact O-CB 2.73Å; R509-L512 PolarHBondContact O-N 2.83Å; R509-L512 VanDerWaalsContact O-N 3.16Å; G510-L512 VanDerWaalsContact C-N 3.27Å; L512-L527 HydrophobicContact CB-CD2 4.06Å; L512-F539 HydrophobicContact CD1-CE2 4.46Å; L512-I562 HydrophobicContact CD2-CG2 3.86Å; L512-E563 WeakPolarHBondContact CA-O 3.46Å
513	A	97.9	Very high	97.5	Very high	4 Å²	4	28 Å²	28	3%	0.033	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	135.9	154	0	0	0	0	0	108.7	L527 P529 E563 V565	A513-L527 WeakPolarHBondContact CA-O 3.31Å; A513-P529 HydrophobicContact CB-CG 4.03Å; A513-E563 HydrophobicContact CB-CB 4.36Å; A513-E563 PolarHBondContact N-O 2.97Å; A513-E563 PolarHBondContact O-N 3.25Å; A513-V565 HydrophobicContact CB-CG1 4.16Å
514	I	98.7	Very high	97.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	127.8	-179.5	-54.6	177.3	0	0	0	108.9	L502 L504 L526 L527 F544 L560 E561 I562	L502-I514 HydrophobicContact CD1-CD1 4.04Å; L502-I514 HydrophobicContact CD1-CG2 4Å; L504-I514 HydrophobicContact CD2-CD1 4.36Å; I514-L526 HydrophobicContact CB-CB 4.22Å; I514-L526 HydrophobicContact CG2-CB 3.99Å; I514-L526 HydrophobicContact CG2-CD1 4.08Å; I514-L526 WeakPolarHBondContact O-CA 3.16Å; I514-L526 PolarHBondContact O-N 3.01Å; I514-L527 HydrophobicContact CB-CB 3.87Å; I514-L527 HydrophobicContact CD1-CB 4.13Å; I514-L527 HydrophobicContact CD1-CD2 3.86Å; I514-L527 HydrophobicContact CG1-CB 3.96Å; I514-L527 HydrophobicContact CG1-CD2 4.13Å; I514-L527 PolarHBondContact N-O 3.12Å; I514-L527 PolarHBondContact O-N 3.27Å; I514-L527 VanDerWaalsContact O-N 3.11Å; I514-F544 HydrophobicContact CD1-CE2 4.08Å; I514-F544 HydrophobicContact CD1-CZ 3.99Å; I514-L560 HydrophobicContact CG2-CD1 3.85Å; I514-E561 WeakPolarHBondContact CA-O 3.34Å; I514-I562 HydrophobicContact CG1-CG1 4.36Å; I514-I562 HydrophobicContact CG1-CG2 4.38Å; I514-I562 HydrophobicContact CG2-CG1 4.29Å
515	H	98.8	Very high	97.5	Very high	15 Å²	15	27.4 Å²	27.4	7%	0.069	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	143.4	179.4	-50.3	98.4	0	0	0	111.2	I517 R523 S524 T525 E561 E563	H515-I517 HydrophobicContact CB-CD1 4.43Å; H515-R523 HydrophobicContact CB-CG 4.25Å; H515-R523 PolarHBondContact CD2-NH1 3.14Å; H515-R523 PolarHBondContact CE1-NH2 2.76Å; H515-R523 VanDerWaalsContact CE1-NH2 3.27Å; H515-R523 PolarHBondContact ND1-NH2 2.77Å; H515-R523 PolarHBondContact NE2-NH1 3.19Å; H515-S524 CarbonylContact C-O 3.55Å; H515-S524 VanDerWaalsContact CA-O 3.29Å; H515-S524 WeakPolarHBondContact CA-O 3.31Å; H515-T525 PolarHBondContact CD2-OG1 2.98Å; H515-E561 HydrophobicContact CB-CB 4.2Å; H515-E561 HydrophobicContact CB-CG 4.47Å; H515-E561 PolarHBondContact N-O 2.78Å; H515-E561 IonicContact ND1-OE2 3.51Å; H515-E561 PolarHBondContact O-N 3.3Å; H515-E563 IonicContact CE1-OE1 3.37Å; H515-E563 PolarHBondContact CE1-OE1 3.32Å; H515-E563 IonicContact ND1-OE1 2.84Å; H515-E563 PolarHBondContact ND1-OE1 2.82Å
516	L	98.8	Very high	97.6	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	127.2	173.6	-176.2	71.4	0	0	0	109.2	V498 A500 S524 L526 T546 W558 R559 L560 F577 L579	V498-L516 HydrophobicContact CG1-CD2 3.79Å; A500-L516 HydrophobicContact CB-CD2 4.39Å; L516-S524 PolarHBondContact N-O 3.01Å; L516-S524 PolarHBondContact O-N 3.42Å; L516-L526 HydrophobicContact CB-CD1 3.71Å; L516-L526 HydrophobicContact CB-CD2 4.29Å; L516-L526 HydrophobicContact CB-CG 3.95Å; L516-L526 HydrophobicContact CD2-CD1 4.48Å; L516-T546 HydrophobicContact CD2-CG2 4.36Å; L516-W558 HydrophobicContact CD1-CE3 3.95Å; L516-W558 HydrophobicContact CD2-CE3 3.96Å; L516-W558 HydrophobicContact CD2-CZ3 3.79Å; L516-W558 HydrophobicContact CG-CE3 3.82Å; L516-W558 HydrophobicContact CG-CZ3 3.98Å; L516-R559 WeakPolarHBondContact CA-O 3.39Å; L516-L560 HydrophobicContact CD1-CD1 4.48Å; L516-F577 HydrophobicContact CD1-CZ 4.17Å; L516-L579 HydrophobicContact CD2-CD1 4.2Å
517	I	98.8	Very high	97.8	Very high	24 Å²	24	23.7 Å²	23.7	12%	0.123	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	125.2	179.5	-54.9	78.4	0	0	0	109	H515 T522 R523 R559 E561	H515-I517 HydrophobicContact CB-CD1 4.43Å; I517-T522 WeakPolarHBondContact CA-O 3.39Å; I517-R523 HydrophobicContact CD1-CG 4.26Å; I517-R523 HydrophobicContact CG1-CB 3.99Å; I517-R523 HydrophobicContact CG1-CG 3.9Å; I517-R559 HydrophobicContact CB-CB 4.25Å; I517-R559 HydrophobicContact CD1-CB 4.31Å; I517-R559 HydrophobicContact CD1-CG 4.11Å; I517-R559 PolarHBondContact N-O 3.25Å; I517-R559 PolarHBondContact O-N 2.8Å; I517-R559 VanDerWaalsContact O-N 3.1Å; I517-E561 HydrophobicContact CD1-CB 4.35Å
518	S	98.7	Very high	98	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.021	14%	0.137	C	C	.	.			trans	-74.8	163.3	175.9	81.8	0	0	0	0	112.4	A520 G521 T522 E552	S518-A520 PolarHBondContact O-N 3.32Å; S518-A520 VanDerWaalsContact O-N 3.13Å; S518-A520 PolarHBondContact OG-N 2.8Å; S518-G521 PolarHBondContact O-N 3.39Å; S518-T522 PolarHBondContact N-O 3.45Å; S518-T522 WeakPolarHBondContact OG-CB 3.3Å; S518-T522 PolarHBondContact OG-N 3.44Å; S518-E552 VanDerWaalsContact CB-OE2 3.26Å; S518-E552 WeakPolarHBondContact CB-OE2 3.22Å; S518-E552 PolarHBondContact OG-OE2 2.82Å
519	P	98.5	Very high	98	Very high	44 Å²	44	22.1 Å²	22.1	29%	0.286	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-24.1	174.5	-26.1	35.2	0	0	0	114.4	G521 V557 W558	P519-G521 VanDerWaalsContact C-N 3.3Å; P519-V557 WeakPolarHBondContact CA-O 3.34Å; P519-W558 VanDerWaalsContact CD-CE2 3.42Å; P519-W558 HydrophobicContact CG-CG 4.43Å
520	A	97.9	Very high	98.1	Very high	57 Å²	57	21.4 Å²	21.4	47%	0.471	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-2.4	175	0	0	0	0	0	113.6	S518	S518-A520 PolarHBondContact O-N 3.32Å; S518-A520 VanDerWaalsContact O-N 3.13Å; S518-A520 PolarHBondContact OG-N 2.8Å
521	G	98.1	Very high	98.1	Very high	53 Å²	53	24.7 Å²	24.7	55%	0.546	15%	0.152	S	C	.	.			trans	92.5	7	178.5	0	0	0	0	0	115.2	S518 P519 R523	S518-G521 PolarHBondContact O-N 3.39Å; P519-G521 VanDerWaalsContact C-N 3.3Å; G521-R523 PolarHBondContact O-N 2.76Å
522	T	98.7	Very high	98.1	Very high	8 Å²	8	28.4 Å²	28.4	5%	0.049	17%	0.169	C	C	.	.			trans	-74	110	179.2	-59.8	0	0	0	0	110.3	N425 G426 I517 S518 H548 E552	N425-T522 WeakPolarHBondContact CA-OG1 3.45Å; N425-T522 HydrophobicContact CB-CG2 3.96Å; G426-T522 PolarHBondContact N-OG1 2.82Å; G426-T522 VanDerWaalsContact N-OG1 3.17Å; I517-T522 WeakPolarHBondContact CA-O 3.39Å; S518-T522 PolarHBondContact N-O 3.45Å; S518-T522 WeakPolarHBondContact OG-CB 3.3Å; S518-T522 PolarHBondContact OG-N 3.44Å; T522-H548 HydrophobicContact CG2-CB 4.08Å; T522-E552 WeakPolarHBondContact CB-OE1 3.36Å; T522-E552 PolarHBondContact OG1-OE1 3.15Å
523	R	98.6	Very high	98.1	Very high	103 Å²	103	28.5 Å²	28.5	39%	0.389	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	114.5	175.6	-173.2	173.8	-163.6	-109.1	17.2	110.4	H515 I517 G521 E561 E563	H515-R523 HydrophobicContact CB-CG 4.25Å; H515-R523 PolarHBondContact CD2-NH1 3.14Å; H515-R523 PolarHBondContact CE1-NH2 2.76Å; H515-R523 VanDerWaalsContact CE1-NH2 3.27Å; H515-R523 PolarHBondContact ND1-NH2 2.77Å; H515-R523 PolarHBondContact NE2-NH1 3.19Å; I517-R523 HydrophobicContact CD1-CG 4.26Å; I517-R523 HydrophobicContact CG1-CB 3.99Å; I517-R523 HydrophobicContact CG1-CG 3.9Å; G521-R523 PolarHBondContact O-N 2.76Å; R523-E561 IonicContact CZ-OE2 2.66Å; R523-E561 VanDerWaalsContact CZ-OE2 3.29Å; R523-E561 IonicContact NE-OE2 2.73Å; R523-E561 PolarHBondContact NE-OE2 2.8Å; R523-E561 VanDerWaalsContact NE-OE2 3.08Å; R523-E561 IonicContact NH2-OE1 3.71Å; R523-E561 IonicContact NH2-OE2 3.28Å; R523-E561 PolarHBondContact NH2-OE2 3.47Å; R523-E563 IonicContact NH2-OE1 3.75Å; R523-E563 PolarHBondContact NH2-OE1 3.47Å
524	S	98.8	Very high	98.1	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.014	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	128.6	171.7	-53.6	0	0	0	0	109.7	H515 L516 L526 T546	H515-S524 CarbonylContact C-O 3.55Å; H515-S524 VanDerWaalsContact CA-O 3.29Å; H515-S524 WeakPolarHBondContact CA-O 3.31Å; L516-S524 PolarHBondContact N-O 3.01Å; L516-S524 PolarHBondContact O-N 3.42Å; S524-L526 PolarHBondContact O-N 2.97Å; S524-T546 WeakPolarHBondContact CB-OG1 3.4Å; S524-T546 PolarHBondContact OG-OG1 3.22Å
525	T	98.7	Very high	98	Very high	14 Å²	14	37.4 Å²	37.4	9%	0.086	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	106.7	168.5	-50.8	0	0	0	0	108.7	S345 H433 H515 H528	S345-T525 PolarHBondContact OG-O 3.03Å; H433-T525 PolarHBondContact NE2-N 3.03Å; H515-T525 PolarHBondContact CD2-OG1 2.98Å; T525-H528 WeakPolarHBondContact CG2-NE2 3.43Å
526	L	98.8	Very high	97.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	-33	178.4	-63.3	-173.4	0	0	0	111.9	N315 A500 I514 L516 S524 F544 T546 L560	N315-L526 VanDerWaalsContact CB-O 3.28Å; N315-L526 WeakPolarHBondContact CB-O 3.38Å; N315-L526 WeakPolarHBondContact ND2-CA 3.15Å; N315-L526 PolarHBondContact ND2-O 2.75Å; A500-L526 HydrophobicContact CB-CD1 3.6Å; I514-L526 HydrophobicContact CB-CB 4.22Å; I514-L526 HydrophobicContact CG2-CB 3.99Å; I514-L526 HydrophobicContact CG2-CD1 4.08Å; I514-L526 WeakPolarHBondContact O-CA 3.16Å; I514-L526 PolarHBondContact O-N 3.01Å; L516-L526 HydrophobicContact CB-CD1 3.71Å; L516-L526 HydrophobicContact CB-CD2 4.29Å; L516-L526 HydrophobicContact CB-CG 3.95Å; L516-L526 HydrophobicContact CD2-CD1 4.48Å; S524-L526 PolarHBondContact O-N 2.97Å; L526-F544 HydrophobicContact CB-CB 3.95Å; L526-F544 HydrophobicContact CB-CD1 4.19Å; L526-F544 HydrophobicContact CB-CG 4.15Å; L526-F544 HydrophobicContact CD1-CB 3.98Å; L526-F544 HydrophobicContact CD2-CB 4.17Å; L526-F544 HydrophobicContact CG-CB 4.26Å; L526-F544 VanDerWaalsContact O-CD1 3.24Å; L526-F544 WeakPolarHBondContact O-CD1 3.48Å; L526-T546 HydrophobicContact CD2-CG2 4.43Å; L526-L560 HydrophobicContact CD1-CD1 4.42Å
527	L	98.7	Very high	97.7	Very high	3 Å²	3	48 Å²	48	2%	0.016	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	122.9	175.1	-179.6	62.7	0	0	0	109.3	L512 A513 I514 F539 F544	L512-L527 HydrophobicContact CB-CD2 4.06Å; A513-L527 WeakPolarHBondContact CA-O 3.31Å; I514-L527 HydrophobicContact CB-CB 3.87Å; I514-L527 HydrophobicContact CD1-CB 4.13Å; I514-L527 HydrophobicContact CD1-CD2 3.86Å; I514-L527 HydrophobicContact CG1-CB 3.96Å; I514-L527 HydrophobicContact CG1-CD2 4.13Å; I514-L527 PolarHBondContact N-O 3.12Å; I514-L527 PolarHBondContact O-N 3.27Å; I514-L527 VanDerWaalsContact O-N 3.11Å; L527-F539 HydrophobicContact CD1-CZ 4.45Å; L527-F539 HydrophobicContact CD2-CE2 3.67Å; L527-F539 HydrophobicContact CD2-CZ 3.68Å; L527-F544 HydrophobicContact CB-CE1 4Å; L527-F544 HydrophobicContact CB-CZ 4.49Å; L527-F544 HydrophobicContact CD1-CE1 4.42Å; L527-F544 HydrophobicContact CD2-CZ 4.47Å
528	H	97.5	Very high	97.5	Very high	56 Å²	56	46.9 Å²	46.9	26%	0.259	26%	0.261	S	S	.	.			trans	-81.8	149.7	164.6	-64.1	99.2	0	0	0	109.9	S313 A343 T525 R530	S313-H528 PolarHBondContact OG-N 2.78Å; A343-H528 PolarHBondContact O-CE1 2.67Å; A343-H528 VanDerWaalsContact O-CE1 3.22Å; A343-H528 PolarHBondContact O-ND1 3.27Å; T525-H528 WeakPolarHBondContact CG2-NE2 3.43Å; H528-R530 WeakPolarHBondContact O-CG 3.49Å; H528-R530 PolarHBondContact O-N 2.81Å
529	P	97.1	Very high	97.5	Very high	46 Å²	46	47 Å²	47	30%	0.299	26%	0.261	S	S	.	.			trans	-57.2	132.2	171.3	-23.3	32.7	0	0	0	111.6	G510 A513 V565	G510-P529 WeakPolarHBondContact O-CA 3.46Å; A513-P529 HydrophobicContact CB-CG 4.03Å; P529-V565 HydrophobicContact CB-CG1 4.5Å; P529-V565 HydrophobicContact CB-CG2 3.75Å; P529-V565 HydrophobicContact CG-CB 4.34Å; P529-V565 HydrophobicContact CG-CG1 3.66Å; P529-V565 HydrophobicContact CG-CG2 3.83Å
530	R	97.6	Very high	97.5	Very high	1 Å²	1	51.5 Å²	51.5	0%	0.004	28%	0.282	C	S	.	.			trans	-117.5	96.7	-179.5	-57.4	-160.3	-59.6	169.8	2	109.7	G271 K272 T273 D312 G510 H528 H532 D533	G271-R530 WeakPolarHBondContact O-CB 3.31Å; K272-R530 VanDerWaalsContact C-NH2 3.3Å; K272-R530 PolarHBondContact O-NH2 3.4Å; T273-R530 PolarHBondContact O-NH1 3.19Å; T273-R530 PolarHBondContact O-NH2 3.39Å; D312-R530 VanDerWaalsContact OD1-CD 3.24Å; D312-R530 WeakPolarHBondContact OD1-CD 3.34Å; D312-R530 IonicContact OD1-CZ 3.44Å; D312-R530 IonicContact OD1-NE 2.82Å; D312-R530 IonicContact OD1-NH1 2.81Å; D312-R530 PolarHBondContact OD1-NH1 3.41Å; D312-R530 IonicContact OD2-NH1 3.55Å; G510-R530 WeakPolarHBondContact CA-O 3.31Å; G510-R530 PolarHBondContact O-N 2.94Å; H528-R530 WeakPolarHBondContact O-CG 3.49Å; H528-R530 PolarHBondContact O-N 2.81Å; R530-H532 PolarHBondContact O-N 3.49Å; R530-H532 VanDerWaalsContact O-N 3.07Å; R530-D533 HydrophobicContact CB-CB 3.97Å; R530-D533 IonicContact CZ-OD2 2.66Å; R530-D533 IonicContact NE-OD2 3.5Å; R530-D533 IonicContact NH2-OD2 3.54Å; R530-D533 PolarHBondContact NH2-OD2 3.32Å; R530-D533 PolarHBondContact O-N 3.35Å
531	P	96.1	Very high	97.4	Very high	71 Å²	71	51.9 Å²	51.9	46%	0.461	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-28.2	-171.7	-27.4	36.6	0	0	0	114.7	R508	R508-P531 PolarHBondContact NH2-O 2.84Å
532	H	96.8	Very high	97.4	Very high	92 Å²	92	51.2 Å²	51.2	43%	0.426	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-13.9	-179.1	-61.1	-76.9	0	0	0	113.5	E310 R530 Y534	E310-H532 PolarHBondContact O-CD2 3.01Å; E310-H532 VanDerWaalsContact O-CD2 3.26Å; R530-H532 PolarHBondContact O-N 3.49Å; R530-H532 VanDerWaalsContact O-N 3.07Å; H532-Y534 WeakPolarHBondContact O-CD1 3.02Å; H532-Y534 PolarHBondContact O-N 3.09Å; H532-Y534 VanDerWaalsContact O-N 3.12Å
533	D	97.8	Very high	97.4	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	26%	0.263	C	S	.	.			trans	-79.9	93.9	175.2	-170.7	-6.6	0	0	0	111.4	G271 K272 R509 G510 R530 S535	G271-D533 PolarHBondContact O-N 3.38Å; K272-D533 HydrophobicContact CB-CB 4.32Å; R509-D533 WeakPolarHBondContact CG-OD2 3.23Å; R509-D533 IonicContact CZ-OD1 3.91Å; R509-D533 IonicContact CZ-OD2 3.73Å; R509-D533 IonicContact NE-OD1 2.73Å; R509-D533 PolarHBondContact NE-OD1 2.75Å; R509-D533 IonicContact NE-OD2 3.02Å; R509-D533 PolarHBondContact NE-OD2 2.82Å; R509-D533 IonicContact NH2-OD1 3.84Å; R509-D533 IonicContact NH2-OD2 2.7Å; G510-D533 VanDerWaalsContact CA-O 3.28Å; G510-D533 WeakPolarHBondContact CA-O 3.4Å; G510-D533 PolarHBondContact N-O 3.3Å; R530-D533 HydrophobicContact CB-CB 3.97Å; R530-D533 IonicContact CZ-OD2 2.66Å; R530-D533 IonicContact NE-OD2 3.5Å; R530-D533 IonicContact NH2-OD2 3.54Å; R530-D533 PolarHBondContact NH2-OD2 3.32Å; R530-D533 PolarHBondContact O-N 3.35Å; D533-S535 VanDerWaalsContact OD1-CB 3.28Å; D533-S535 WeakPolarHBondContact OD1-CB 3.44Å; D533-S535 PolarHBondContact OD1-N 3.41Å
534	Y	96.4	Very high	97.4	Very high	170 Å²	170	46.9 Å²	46.9	67%	0.667	24%	0.244	S	C	*	.			trans	-96.3	15.3	172.5	55.5	-96.6	0	0	0	113.5	H532	H532-Y534 WeakPolarHBondContact O-CD1 3.02Å; H532-Y534 PolarHBondContact O-N 3.09Å; H532-Y534 VanDerWaalsContact O-N 3.12Å
535	S	97.3	Very high	97.4	Very high	22 Å²	22	46.9 Å²	46.9	15%	0.154	24%	0.244	C	C	.	.			trans	-66.3	142.8	179.7	-177.9	0	0	0	0	112	R508 R509 D533 E537	R508-S535 WeakPolarHBondContact CA-O 3.46Å; R509-S535 WeakPolarHBondContact CB-O 3.41Å; R509-S535 PolarHBondContact N-O 3.16Å; D533-S535 VanDerWaalsContact OD1-CB 3.28Å; D533-S535 WeakPolarHBondContact OD1-CB 3.44Å; D533-S535 PolarHBondContact OD1-N 3.41Å; S535-E537 WeakPolarHBondContact OG-CB 3.39Å; S535-E537 WeakPolarHBondContact OG-CG 3.45Å; S535-E537 PolarHBondContact OG-N 2.7Å; S535-E537 VanDerWaalsContact OG-N 3.16Å; S535-E537 PolarHBondContact OG-OE2 3.08Å; S535-E537 VanDerWaalsContact OG-OE2 3.07Å
536	S	95.5	Very high	97.5	Very high	86 Å²	86	46.2 Å²	46.2	60%	0.601	24%	0.24	S	C	*	.	S	Bend	trans	-103.1	4.4	173.3	58.3	0	0	0	0	113.5	Y506 G538	Y506-S536 CarbonylContact O-C 3.55Å; Y506-S536 VanDerWaalsContact O-CA 3.31Å; Y506-S536 WeakPolarHBondContact O-CA 3.46Å; S536-G538 VanDerWaalsContact C-N 3.29Å; S536-G538 PolarHBondContact O-N 3.02Å
537	E	94.9	Very high	97.5	Very high	151 Å²	151	46.2 Å²	46.2	71%	0.706	24%	0.24	S	C	*	.	S	Bend	trans	-74.6	-20.3	-178.6	-61.9	167.9	145.1	0	0	112.6	R509 S535	R509-E537 IonicContact NH1-OE2 3.39Å; S535-E537 WeakPolarHBondContact OG-CB 3.39Å; S535-E537 WeakPolarHBondContact OG-CG 3.45Å; S535-E537 PolarHBondContact OG-N 2.7Å; S535-E537 VanDerWaalsContact OG-N 3.16Å; S535-E537 PolarHBondContact OG-OE2 3.08Å; S535-E537 VanDerWaalsContact OG-OE2 3.07Å
538	G	95.9	Very high	97.5	Very high	2 Å²	2	46.2 Å²	46.2	2%	0.021	24%	0.24	C	C	.	.			trans	64.9	-139.1	-174.9	0	0	0	0	0	112.3	L504 R509 S536	L504-G538 WeakPolarHBondContact O-CA 3.2Å; R509-G538 WeakPolarHBondContact CD-O 3.49Å; R509-G538 PolarHBondContact NH1-O 3.37Å; S536-G538 VanDerWaalsContact C-N 3.29Å; S536-G538 PolarHBondContact O-N 3.02Å
539	F	98.3	Very high	97.5	Very high	6 Å²	6	43.6 Å²	43.6	3%	0.026	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	141.2	177.1	-66.5	-81.1	0	0	0	110.1	V274 T503 L504 R509 L512 L527 W542 F544	V274-F539 HydrophobicContact CG1-CD1 4.13Å; V274-F539 HydrophobicContact CG1-CE1 3.9Å; V274-F539 HydrophobicContact CG2-CE1 3.85Å; V274-F539 HydrophobicContact CG2-CZ 4.47Å; T503-F539 CarbonylContact C-O 3.58Å; T503-F539 VanDerWaalsContact CA-O 3.31Å; T503-F539 WeakPolarHBondContact CA-O 3.26Å; L504-F539 HydrophobicContact CD1-CD2 4.11Å; L504-F539 HydrophobicContact CD2-CD2 4.14Å; L504-F539 HydrophobicContact CG-CB 4.28Å; L504-F539 HydrophobicContact CG-CD2 4.13Å; L504-F539 PolarHBondContact N-O 2.83Å; L504-F539 PolarHBondContact O-N 2.66Å; L504-F539 VanDerWaalsContact O-O 3.12Å; R509-F539 HydrophobicContact CG-CD2 4.22Å; R509-F539 HydrophobicContact CG-CE2 3.48Å; R509-F539 VanDerWaalsContact CG-CE2 3.48Å; R509-F539 HydrophobicContact CG-CZ 3.66Å; L512-F539 HydrophobicContact CD1-CE2 4.46Å; L527-F539 HydrophobicContact CD1-CZ 4.45Å; L527-F539 HydrophobicContact CD2-CE2 3.67Å; L527-F539 HydrophobicContact CD2-CZ 3.68Å; F539-W542 HydrophobicContact CB-CB 3.87Å; F539-W542 HydrophobicContact CD1-CB 3.78Å; F539-W542 HydrophobicContact CD1-CD2 4.48Å; F539-W542 AromaticContact CD1-CG 3.79Å; F539-W542 HydrophobicContact CD1-CG 3.79Å; F539-W542 HydrophobicContact CE1-CG 4.42Å; F539-W542 HydrophobicContact CG-CB 4.22Å; F539-F544 HydrophobicContact CD1-CE2 4.27Å; F539-F544 AromaticContact CD1-CZ 3.8Å; F539-F544 HydrophobicContact CD1-CZ 3.8Å; F539-F544 HydrophobicContact CD2-CE2 4.38Å; F539-F544 HydrophobicContact CD2-CZ 4.03Å; F539-F544 HydrophobicContact CE1-CE1 4.2Å; F539-F544 HydrophobicContact CE1-CE2 4.49Å; F539-F544 AromaticContact CE1-CZ 3.59Å; F539-F544 HydrophobicContact CE1-CZ 3.59Å; F539-F544 AromaticContact CE2-CZ 3.84Å; F539-F544 HydrophobicContact CE2-CZ 3.84Å; F539-F544 HydrophobicContact CG-CE2 4.22Å; F539-F544 HydrophobicContact CG-CZ 4.02Å; F539-F544 HydrophobicContact CZ-CE1 4.26Å; F539-F544 AromaticContact CZ-CZ 3.62Å; F539-F544 HydrophobicContact CZ-CZ 3.62Å
540	N	97.6	Very high	97.6	Very high	137 Å²	137	41.4 Å²	41.4	73%	0.733	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-126.2	106.1	-177.2	-176.5	26	0	0	0	110.8	W542	N540-W542 PolarHBondContact O-N 3.01Å; N540-W542 VanDerWaalsContact O-N 3.07Å
541	D	97	Very high	97.6	Very high	66 Å²	66	42.5 Å²	42.5	35%	0.353	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	43.9	33.6	-168.4	-161.4	45.8	0	0	0	113.7	R501 L502 T503 A543 Q576	R501-D541 IonicContact NH1-OD2 3.63Å; L502-D541 PolarHBondContact O-N 3.38Å; T503-D541 PolarHBondContact OG1-N 2.96Å; D541-A543 PolarHBondContact O-N 3.31Å; D541-Q576 PolarHBondContact OD1-NE2 3.2Å
542	W	98.6	Very high	97.8	Very high	39 Å²	39	39.3 Å²	39.3	15%	0.148	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	122.8	-174.5	-170.8	-98.2	0	0	0	110.3	V274 D275 N315 C316 R501 L502 F539 N540 F544	V274-W542 HydrophobicContact CG1-CD2 3.8Å; V274-W542 HydrophobicContact CG1-CE3 3.73Å; V274-W542 HydrophobicContact CG1-CH2 3.84Å; V274-W542 HydrophobicContact CG1-CZ2 3.91Å; V274-W542 HydrophobicContact CG1-CZ3 3.75Å; D275-W542 WeakPolarHBondContact O-CH2 3.4Å; N315-W542 WeakPolarHBondContact O-CZ2 3.37Å; N315-W542 PolarHBondContact O-NE1 3Å; C316-W542 WeakPolarHBondContact O-CZ2 3.46Å; R501-W542 WeakPolarHBondContact CA-O 3.28Å; L502-W542 PolarHBondContact N-O 3.3Å; L502-W542 PolarHBondContact O-N 3.31Å; F539-W542 HydrophobicContact CB-CB 3.87Å; F539-W542 HydrophobicContact CD1-CB 3.78Å; F539-W542 HydrophobicContact CD1-CD2 4.48Å; F539-W542 AromaticContact CD1-CG 3.79Å; F539-W542 HydrophobicContact CD1-CG 3.79Å; F539-W542 HydrophobicContact CE1-CG 4.42Å; F539-W542 HydrophobicContact CG-CB 4.22Å; N540-W542 PolarHBondContact O-N 3.01Å; N540-W542 VanDerWaalsContact O-N 3.07Å; W542-F544 HydrophobicContact CB-CE2 4.35Å; W542-F544 AromaticContact CD1-CD1 3.76Å; W542-F544 AromaticContact CD1-CD2 3.73Å; W542-F544 AromaticContact CD1-CE1 3.63Å; W542-F544 AromaticContact CD1-CE2 3.61Å; W542-F544 AromaticContact CD1-CG 3.81Å; W542-F544 AromaticContact CD1-CZ 3.56Å; W542-F544 HydrophobicContact CG-CE2 4.36Å; W542-F544 HydrophobicContact CG-CZ 4.46Å; W542-F544 AromaticContact NE1-CD1 4Å; W542-F544 AromaticContact NE1-CE1 3.95Å; W542-F544 PolarHBondContact O-N 2.85Å
543	A	98.3	Very high	97.8	Very high	19 Å²	19	39 Å²	39	16%	0.157	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	66.6	-167.9	0	0	0	0	0	112.5	N321 R501 D541 M545	N321-A543 PolarHBondContact ND2-O 3.31Å; R501-A543 HydrophobicContact CG-CB 3.84Å; D541-A543 PolarHBondContact O-N 3.31Å; A543-M545 PolarHBondContact O-N 3.39Å
544	F	98.8	Very high	97.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.1	124	175.6	-64.8	-81.8	0	0	0	111.2	N315 Q499 A500 L502 I514 L526 L527 F539 W542	N315-F544 HydrophobicContact CB-CD1 4.07Å; Q499-F544 CarbonylContact C-O 3.34Å; Q499-F544 VanDerWaalsContact CA-O 3.24Å; Q499-F544 WeakPolarHBondContact CA-O 3.42Å; A500-F544 PolarHBondContact N-O 3.47Å; A500-F544 PolarHBondContact O-N 2.83Å; L502-F544 HydrophobicContact CB-CD2 4.41Å; L502-F544 HydrophobicContact CB-CE2 4.27Å; L502-F544 HydrophobicContact CD1-CD2 3.83Å; L502-F544 HydrophobicContact CD1-CE2 3.85Å; L502-F544 HydrophobicContact CG-CD2 4.06Å; L502-F544 HydrophobicContact CG-CE2 4.28Å; I514-F544 HydrophobicContact CD1-CE2 4.08Å; I514-F544 HydrophobicContact CD1-CZ 3.99Å; L526-F544 HydrophobicContact CB-CB 3.95Å; L526-F544 HydrophobicContact CB-CD1 4.19Å; L526-F544 HydrophobicContact CB-CG 4.15Å; L526-F544 HydrophobicContact CD1-CB 3.98Å; L526-F544 HydrophobicContact CD2-CB 4.17Å; L526-F544 HydrophobicContact CG-CB 4.26Å; L526-F544 VanDerWaalsContact O-CD1 3.24Å; L526-F544 WeakPolarHBondContact O-CD1 3.48Å; L527-F544 HydrophobicContact CB-CE1 4Å; L527-F544 HydrophobicContact CB-CZ 4.49Å; L527-F544 HydrophobicContact CD1-CE1 4.42Å; L527-F544 HydrophobicContact CD2-CZ 4.47Å; F539-F544 HydrophobicContact CD1-CE2 4.27Å; F539-F544 AromaticContact CD1-CZ 3.8Å; F539-F544 HydrophobicContact CD1-CZ 3.8Å; F539-F544 HydrophobicContact CD2-CE2 4.38Å; F539-F544 HydrophobicContact CD2-CZ 4.03Å; F539-F544 HydrophobicContact CE1-CE1 4.2Å; F539-F544 HydrophobicContact CE1-CE2 4.49Å; F539-F544 AromaticContact CE1-CZ 3.59Å; F539-F544 HydrophobicContact CE1-CZ 3.59Å; F539-F544 AromaticContact CE2-CZ 3.84Å; F539-F544 HydrophobicContact CE2-CZ 3.84Å; F539-F544 HydrophobicContact CG-CE2 4.22Å; F539-F544 HydrophobicContact CG-CZ 4.02Å; F539-F544 HydrophobicContact CZ-CE1 4.26Å; F539-F544 AromaticContact CZ-CZ 3.62Å; F539-F544 HydrophobicContact CZ-CZ 3.62Å; W542-F544 HydrophobicContact CB-CE2 4.35Å; W542-F544 AromaticContact CD1-CD1 3.76Å; W542-F544 AromaticContact CD1-CD2 3.73Å; W542-F544 AromaticContact CD1-CE1 3.63Å; W542-F544 AromaticContact CD1-CE2 3.61Å; W542-F544 AromaticContact CD1-CG 3.81Å; W542-F544 AromaticContact CD1-CZ 3.56Å; W542-F544 HydrophobicContact CG-CE2 4.36Å; W542-F544 HydrophobicContact CG-CZ 4.46Å; W542-F544 AromaticContact NE1-CD1 4Å; W542-F544 AromaticContact NE1-CE1 3.95Å; W542-F544 PolarHBondContact O-N 2.85Å
545	M	98.8	Very high	97.8	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	143.1	-172.6	-166.1	-88.1	-78.1	0	0	111.9	N321 S322 I323 S345 S346 H497 V498 Q499 A543 T547	N321-M545 VanDerWaalsContact O-CB 3.3Å; N321-M545 WeakPolarHBondContact O-CB 3.39Å; N321-M545 VanDerWaalsContact OD1-CB 3.24Å; N321-M545 WeakPolarHBondContact OD1-CB 3.48Å; N321-M545 PolarHBondContact OD1-N 2.87Å; S322-M545 WeakPolarHBondContact O-CE 3.24Å; I323-M545 HydrophobicContact CG2-CG 3.87Å; S345-M545 CarbonylContact C-O 3.54Å; S345-M545 PolarHBondContact OG-O 3.04Å; S346-M545 VanDerWaalsContact CB-CE 3.49Å; S346-M545 PolarHBondContact N-O 3.06Å; H497-M545 HydrophobicContact CB-CG 4.39Å; H497-M545 HydrophobicContact CB-SD 4.27Å; V498-M545 CarbonylContact O-C 3.59Å; V498-M545 WeakPolarHBondContact O-CA 3.24Å; Q499-M545 HydrophobicContact CG-CB 4.34Å; Q499-M545 HydrophobicContact CG-CG 4.16Å; A543-M545 PolarHBondContact O-N 3.39Å; M545-T547 HydrophobicContact CE-CG2 4Å; M545-T547 HydrophobicContact SD-CG2 3.67Å
546	T	98.9	Very high	97.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	135.4	168.8	-179.9	0	0	0	0	112.1	S345 V498 L516 S524 L526 H548	S345-T546 VanDerWaalsContact O-CA 3.32Å; S345-T546 WeakPolarHBondContact O-CA 3.48Å; V498-T546 HydrophobicContact CB-CG2 3.82Å; V498-T546 HydrophobicContact CG1-CG2 4.3Å; V498-T546 PolarHBondContact N-O 2.89Å; V498-T546 PolarHBondContact O-N 2.85Å; L516-T546 HydrophobicContact CD2-CG2 4.36Å; S524-T546 WeakPolarHBondContact CB-OG1 3.4Å; S524-T546 PolarHBondContact OG-OG1 3.22Å; L526-T546 HydrophobicContact CD2-CG2 4.43Å; T546-H548 WeakPolarHBondContact OG1-CB 3.31Å; T546-H548 PolarHBondContact OG1-N 2.83Å; T546-H548 VanDerWaalsContact OG1-N 3.1Å
547	T	98.8	Very high	98	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.175	C	C	.	.			trans	-97.1	-10.3	170.2	65.3	0	0	0	0	111.8	S345 S346 T347 L348 Y437 M545 S549 W550	S345-T547 PolarHBondContact O-N 3.21Å; S345-T547 PolarHBondContact O-OG1 3.26Å; S346-T547 VanDerWaalsContact O-CG2 3.26Å; S346-T547 WeakPolarHBondContact O-CG2 3.36Å; T347-T547 PolarHBondContact O-OG1 3.48Å; L348-T547 HydrophobicContact CD2-CG2 3.65Å; L348-T547 HydrophobicContact CG-CG2 3.98Å; Y437-T547 PolarHBondContact OH-O 2.88Å; M545-T547 HydrophobicContact CE-CG2 4Å; M545-T547 HydrophobicContact SD-CG2 3.67Å; T547-S549 PolarHBondContact O-N 2.91Å; T547-S549 VanDerWaalsContact O-N 3.11Å; T547-W550 WeakPolarHBondContact O-CB 3.48Å; T547-W550 PolarHBondContact O-N 2.83Å; T547-W550 VanDerWaalsContact O-N 3.08Å
548	H	98.8	Very high	98.2	Very high	3 Å²	3	24.7 Å²	24.7	1%	0.014	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-23.7	-166.8	-70.1	-157	0	0	0	113.7	S345 N425 V431 H433 Y437 T522 T546	S345-H548 PolarHBondContact O-CD2 2.87Å; N425-H548 VanDerWaalsContact CB-O 3.28Å; N425-H548 WeakPolarHBondContact CB-O 3.11Å; N425-H548 PolarHBondContact ND2-O 2.96Å; V431-H548 HydrophobicContact CG1-CB 3.95Å; V431-H548 HydrophobicContact CG2-CB 4.24Å; V431-H548 VanDerWaalsContact CG2-CD2 3.42Å; V431-H548 WeakPolarHBondContact CG2-CD2 3.46Å; H433-H548 AromaticContact CD2-CE1 3.27Å; H433-H548 PolarHBondContact CD2-CE1 2.73Å; H433-H548 AromaticContact CD2-ND1 3.99Å; H433-H548 AromaticContact CD2-NE2 3.99Å; H433-H548 AromaticContact CE1-CE1 3.61Å; H433-H548 AromaticContact CE1-ND1 3.91Å; H433-H548 AromaticContact CG-CE1 3.57Å; H433-H548 AromaticContact ND1-CE1 3.77Å; H433-H548 AromaticContact NE2-CE1 3.28Å; H433-H548 PolarHBondContact NE2-CE1 2.88Å; H433-H548 VanDerWaalsContact NE2-CE1 3.28Å; H433-H548 AromaticContact NE2-ND1 3.55Å; Y437-H548 PolarHBondContact OH-O 3.19Å; T522-H548 HydrophobicContact CG2-CB 4.08Å; T546-H548 WeakPolarHBondContact OG1-CB 3.31Å; T546-H548 PolarHBondContact OG1-N 2.83Å; T546-H548 VanDerWaalsContact OG1-N 3.1Å
549	S	98.7	Very high	98.3	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.007	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	19	177.8	-52.3	0	0	0	0	113.8	L495 T547 E552	L495-S549 WeakPolarHBondContact CB-O 3.31Å; T547-S549 PolarHBondContact O-N 2.91Å; T547-S549 VanDerWaalsContact O-N 3.11Å; S549-E552 WeakPolarHBondContact O-CB 3.48Å; S549-E552 WeakPolarHBondContact O-CG 3.44Å; S549-E552 PolarHBondContact O-N 2.91Å
550	W	98.8	Very high	98.3	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	137.9	-179.6	-155.1	-72.9	0	0	0	113	L348 Q405 H406 V409 V427 R429 Y437 E496 H497 T547 E552	L348-W550 HydrophobicContact CD2-CE3 4.3Å; L348-W550 HydrophobicContact CD2-CZ3 4.08Å; Q405-W550 HydrophobicContact CB-CH2 3.74Å; Q405-W550 HydrophobicContact CB-CZ2 4.15Å; H406-W550 AromaticContact CD2-CZ2 3.65Å; H406-W550 AromaticContact CE1-CE2 3.86Å; H406-W550 AromaticContact CE1-NE1 3.11Å; H406-W550 PolarHBondContact CE1-NE1 3.41Å; H406-W550 AromaticContact CG-CZ2 3.88Å; H406-W550 AromaticContact CG-NE1 3.62Å; H406-W550 AromaticContact ND1-CE2 3.9Å; H406-W550 AromaticContact ND1-NE1 3.03Å; H406-W550 PolarHBondContact ND1-NE1 3.12Å; H406-W550 AromaticContact NE2-CZ2 3.77Å; H406-W550 AromaticContact NE2-NE1 3.71Å; V409-W550 HydrophobicContact CG1-CB 4.13Å; V409-W550 HydrophobicContact CG1-CG 3.97Å; V409-W550 HydrophobicContact CG2-CD2 3.87Å; V409-W550 HydrophobicContact CG2-CE3 4.17Å; V409-W550 HydrophobicContact CG2-CG 4.08Å; V427-W550 WeakPolarHBondContact CG2-O 3.44Å; R429-W550 PolarHBondContact NH1-O 3.18Å; Y437-W550 HydrophobicContact CE2-CB 4.47Å; Y437-W550 VanDerWaalsContact OH-CB 3.31Å; Y437-W550 WeakPolarHBondContact OH-CB 3.48Å; E496-W550 HydrophobicContact CB-CD2 4.39Å; E496-W550 HydrophobicContact CB-CE3 4.36Å; E496-W550 HydrophobicContact CB-CH2 3.9Å; E496-W550 HydrophobicContact CB-CZ2 3.91Å; E496-W550 HydrophobicContact CB-CZ3 4.13Å; E496-W550 HydrophobicContact CG-CH2 4.24Å; E496-W550 HydrophobicContact CG-CZ2 3.78Å; E496-W550 VanDerWaalsContact O-CE3 3.26Å; H497-W550 AromaticContact CD2-CZ3 3.84Å; H497-W550 AromaticContact CE1-CH2 3.82Å; H497-W550 AromaticContact CE1-CZ3 3.97Å; H497-W550 AromaticContact NE2-CH2 3.78Å; H497-W550 AromaticContact NE2-CZ3 3.61Å; T547-W550 WeakPolarHBondContact O-CB 3.48Å; T547-W550 PolarHBondContact O-N 2.83Å; T547-W550 VanDerWaalsContact O-N 3.08Å; W550-E552 PolarHBondContact O-N 2.86Å
551	D	98.4	Very high	98.3	Very high	25 Å²	25	24 Å²	24	13%	0.134	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.7	3	-168.1	-60.1	-44.3	0	0	0	116	H406 R410 V427 R429 L495	H406-D551 IonicContact CE1-OD1 2.66Å; H406-D551 IonicContact ND1-OD1 3.34Å; R410-D551 IonicContact CZ-OD2 3.46Å; R410-D551 IonicContact NE-OD2 2.85Å; R410-D551 PolarHBondContact NE-OD2 3.38Å; R410-D551 IonicContact NH2-OD1 2.75Å; R410-D551 PolarHBondContact NH2-OD1 2.94Å; R410-D551 IonicContact NH2-OD2 3.64Å; R410-D551 PolarHBondContact NH2-OD2 3.39Å; R410-D551 VanDerWaalsContact NH2-OD2 3.17Å; V427-D551 HydrophobicContact CG1-CB 4.26Å; V427-D551 WeakPolarHBondContact CG1-O 3.36Å; V427-D551 HydrophobicContact CG2-CB 4.34Å; R429-D551 IonicContact CZ-OD2 3.96Å; R429-D551 IonicContact NH1-OD2 2.64Å; R429-D551 PolarHBondContact NH1-OD2 3.13Å; R429-D551 IonicContact NH2-OD2 3.02Å; R429-D551 PolarHBondContact NH2-OD2 2.77Å; L495-D551 PolarHBondContact O-N 2.86Å
552	E	98.6	Very high	98.4	Very high	3 Å²	3	20.9 Å²	20.9	1%	0.014	11%	0.113	C	C	.	.			trans	-70.7	153.3	173.8	-66.1	178.3	-164.1	0	0	112	N425 G426 V427 L495 S518 T522 S549 W550 P554	N425-E552 WeakPolarHBondContact CB-OE1 3.31Å; G426-E552 PolarHBondContact N-OE1 3.44Å; V427-E552 HydrophobicContact CG1-CG 4.2Å; L495-E552 WeakPolarHBondContact CB-O 3.4Å; L495-E552 HydrophobicContact CD1-CB 4.35Å; L495-E552 PolarHBondContact N-O 2.9Å; S518-E552 VanDerWaalsContact CB-OE2 3.26Å; S518-E552 WeakPolarHBondContact CB-OE2 3.22Å; S518-E552 PolarHBondContact OG-OE2 2.82Å; T522-E552 WeakPolarHBondContact CB-OE1 3.36Å; T522-E552 PolarHBondContact OG1-OE1 3.15Å; S549-E552 WeakPolarHBondContact O-CB 3.48Å; S549-E552 WeakPolarHBondContact O-CG 3.44Å; S549-E552 PolarHBondContact O-N 2.91Å; W550-E552 PolarHBondContact O-N 2.86Å; E552-P554 WeakPolarHBondContact O-CD 3.26Å
553	N	97.6	Very high	98.2	Very high	85 Å²	85	21.7 Å²	21.7	46%	0.455	12%	0.118	S	C	.	.			trans	-80.2	119.6	167.4	-175.5	-25	0	0	0	109.1	T493 S555	T493-N553 WeakPolarHBondContact O-CA 3.43Å; N553-S555 VanDerWaalsContact C-N 3.34Å; N553-S555 PolarHBondContact O-N 3.2Å; N553-S555 WeakPolarHBondContact OD1-CB 3.29Å; N553-S555 PolarHBondContact OD1-N 3.11Å; N553-S555 PolarHBondContact OD1-OG 3.01Å
554	P	97.4	Very high	97.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.114	C	C	.	.			trans	-81.6	-3.3	-174.9	30.6	-33.3	0	0	0	115.2	V482 A484 V492 L495 E552 W558 L581	V482-P554 VanDerWaalsContact CG2-O 3.31Å; V482-P554 WeakPolarHBondContact CG2-O 3.34Å; A484-P554 HydrophobicContact CB-CB 4.2Å; A484-P554 HydrophobicContact CB-CG 3.63Å; V492-P554 HydrophobicContact CB-CG 4.12Å; V492-P554 HydrophobicContact CG1-CG 4.03Å; V492-P554 WeakPolarHBondContact O-CG 3.14Å; L495-P554 HydrophobicContact CD1-CB 3.94Å; L495-P554 HydrophobicContact CD2-CB 3.89Å; L495-P554 HydrophobicContact CD2-CG 4.06Å; L495-P554 HydrophobicContact CG-CB 3.82Å; L495-P554 HydrophobicContact CG-CG 4.01Å; E552-P554 WeakPolarHBondContact O-CD 3.26Å; P554-W558 HydrophobicContact CB-CZ2 4Å; P554-W558 PolarHBondContact O-NE1 2.87Å; P554-L581 HydrophobicContact CB-CD1 3.88Å; P554-L581 HydrophobicContact CB-CD2 4.23Å; P554-L581 HydrophobicContact CG-CD1 4.34Å
555	S	97.3	Very high	97.5	Very high	41 Å²	41	25.5 Å²	25.5	29%	0.287	14%	0.138	S	C	.	.			trans	-73.9	132.3	179.1	-64.1	0	0	0	0	111.8	D483 N553	D483-S555 PolarHBondContact O-OG 2.88Å; N553-S555 VanDerWaalsContact C-N 3.34Å; N553-S555 PolarHBondContact O-N 3.2Å; N553-S555 WeakPolarHBondContact OD1-CB 3.29Å; N553-S555 PolarHBondContact OD1-N 3.11Å; N553-S555 PolarHBondContact OD1-OG 3.01Å
556	G	97.6	Very high	96.7	Very high	19 Å²	19	28.1 Å²	28.1	20%	0.196	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	127.8	-159.1	-178.9	0	0	0	0	0	113.1	N481 V482 W558	N481-G556 WeakPolarHBondContact CA-O 3.43Å; N481-G556 VanDerWaalsContact OD1-CA 3.31Å; N481-G556 WeakPolarHBondContact OD1-CA 3.47Å; N481-G556 PolarHBondContact OD1-O 3.05Å; V482-G556 PolarHBondContact N-O 3.25Å; V482-G556 PolarHBondContact O-N 3.19Å; G556-W558 PolarHBondContact O-N 3.44Å
557	V	98.4	Very high	95.4	Very high	67 Å²	67	29.6 Å²	29.6	41%	0.406	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	116	-175.8	-176.6	0	0	0	0	111.2	D479 K480 N481 P519	D479-V557 HydrophobicContact CB-CG1 4.08Å; K480-V557 WeakPolarHBondContact O-CA 3.08Å; N481-V557 HydrophobicContact CB-CG2 4.21Å; P519-V557 WeakPolarHBondContact CA-O 3.34Å
558	W	98.7	Very high	93.8	Very high	3 Å²	3	34 Å²	34	1%	0.011	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	143	162.7	-71.4	78.3	0	0	0	110	D479 K480 L495 V498 L516 P519 P554 G556 L579 L581	D479-W558 WeakPolarHBondContact CA-O 3.3Å; K480-W558 PolarHBondContact N-O 3.45Å; K480-W558 PolarHBondContact O-N 2.96Å; L495-W558 HydrophobicContact CD1-CH2 4Å; L495-W558 HydrophobicContact CD1-CZ2 4.03Å; V498-W558 HydrophobicContact CG1-CH2 4.1Å; V498-W558 HydrophobicContact CG1-CZ3 4.08Å; V498-W558 HydrophobicContact CG2-CH2 3.91Å; L516-W558 HydrophobicContact CD1-CE3 3.95Å; L516-W558 HydrophobicContact CD2-CE3 3.96Å; L516-W558 HydrophobicContact CD2-CZ3 3.79Å; L516-W558 HydrophobicContact CG-CE3 3.82Å; L516-W558 HydrophobicContact CG-CZ3 3.98Å; P519-W558 VanDerWaalsContact CD-CE2 3.42Å; P519-W558 HydrophobicContact CG-CG 4.43Å; P554-W558 HydrophobicContact CB-CZ2 4Å; P554-W558 PolarHBondContact O-NE1 2.87Å; G556-W558 PolarHBondContact O-N 3.44Å; W558-L579 HydrophobicContact CB-CD2 4.19Å; W558-L579 HydrophobicContact CD2-CD1 4.48Å; W558-L579 HydrophobicContact CD2-CD2 3.84Å; W558-L579 HydrophobicContact CE3-CD1 4.37Å; W558-L579 HydrophobicContact CG-CD2 3.65Å; W558-L581 HydrophobicContact CH2-CD2 4.41Å; W558-L581 HydrophobicContact CZ2-CD2 3.85Å
559	R	98.6	Very high	92.9	Very high	99 Å²	99	38.5 Å²	38.5	37%	0.374	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	123.4	174.6	173.4	177.7	-63.7	136	9.8	110.5	L477 I478 D479 L516 I517	L477-R559 HydrophobicContact CD2-CG 4.38Å; I478-R559 WeakPolarHBondContact O-CA 3.36Å; D479-R559 WeakPolarHBondContact OD1-CB 3.5Å; D479-R559 VanDerWaalsContact OD1-CG 3.23Å; D479-R559 WeakPolarHBondContact OD1-CG 2.98Å; D479-R559 IonicContact OD1-CZ 3.92Å; D479-R559 IonicContact OD1-NE 2.65Å; D479-R559 PolarHBondContact OD1-NE 3.3Å; D479-R559 IonicContact OD1-NH2 3.48Å; D479-R559 IonicContact OD2-CZ 2.81Å; D479-R559 IonicContact OD2-NE 3.59Å; D479-R559 IonicContact OD2-NH2 2.75Å; D479-R559 PolarHBondContact OD2-NH2 3.11Å; L516-R559 WeakPolarHBondContact CA-O 3.39Å; I517-R559 HydrophobicContact CB-CB 4.25Å; I517-R559 HydrophobicContact CD1-CB 4.31Å; I517-R559 HydrophobicContact CD1-CG 4.11Å; I517-R559 PolarHBondContact N-O 3.25Å; I517-R559 PolarHBondContact O-N 2.8Å; I517-R559 VanDerWaalsContact O-N 3.1Å
560	L	98.6	Very high	92.3	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	133.2	165.6	-179.5	71.5	0	0	0	108.8	L477 I478 L502 I514 L516 L526 I562 L574 F577	L477-L560 WeakPolarHBondContact CA-O 3.49Å; I478-L560 HydrophobicContact CB-CB 4.43Å; I478-L560 HydrophobicContact CD1-CD2 4.45Å; I478-L560 PolarHBondContact N-O 3.43Å; I478-L560 PolarHBondContact O-N 3.43Å; L502-L560 HydrophobicContact CD1-CD1 4.41Å; L502-L560 HydrophobicContact CD1-CD2 4.49Å; L502-L560 HydrophobicContact CD2-CD2 3.77Å; I514-L560 HydrophobicContact CG2-CD1 3.85Å; L516-L560 HydrophobicContact CD1-CD1 4.48Å; L526-L560 HydrophobicContact CD1-CD1 4.42Å; L560-I562 HydrophobicContact CD2-CD1 4.22Å; L560-I562 HydrophobicContact CD2-CG1 4.42Å; L560-I562 HydrophobicContact CG-CG1 4.27Å; L560-L574 HydrophobicContact CD2-CD2 4Å; L560-F577 HydrophobicContact CB-CD1 4.17Å; L560-F577 HydrophobicContact CB-CE1 3.53Å; L560-F577 HydrophobicContact CB-CZ 3.99Å; L560-F577 HydrophobicContact CD2-CB 4.47Å; L560-F577 HydrophobicContact CD2-CD1 3.51Å; L560-F577 HydrophobicContact CD2-CD2 4.29Å; L560-F577 HydrophobicContact CD2-CE1 3.7Å; L560-F577 HydrophobicContact CD2-CE2 4.45Å; L560-F577 HydrophobicContact CD2-CG 3.85Å; L560-F577 HydrophobicContact CD2-CZ 4.18Å; L560-F577 HydrophobicContact CG-CD1 4.46Å; L560-F577 HydrophobicContact CG-CE1 4.18Å
561	E	98.4	Very high	92	Very high	32 Å²	32	47.2 Å²	47.2	15%	0.15	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	119.1	-178.7	169.9	169.3	-120.4	0	0	107.9	H475 L477 I514 H515 I517 R523 E563	H475-E561 IonicContact NE2-OE1 3.15Å; L477-E561 HydrophobicContact CD2-CB 3.74Å; L477-E561 HydrophobicContact CD2-CG 3.87Å; I514-E561 WeakPolarHBondContact CA-O 3.34Å; H515-E561 HydrophobicContact CB-CB 4.2Å; H515-E561 HydrophobicContact CB-CG 4.47Å; H515-E561 PolarHBondContact N-O 2.78Å; H515-E561 IonicContact ND1-OE2 3.51Å; H515-E561 PolarHBondContact O-N 3.3Å; I517-E561 HydrophobicContact CD1-CB 4.35Å; R523-E561 IonicContact CZ-OE2 2.66Å; R523-E561 VanDerWaalsContact CZ-OE2 3.29Å; R523-E561 IonicContact NE-OE2 2.73Å; R523-E561 PolarHBondContact NE-OE2 2.8Å; R523-E561 VanDerWaalsContact NE-OE2 3.08Å; R523-E561 IonicContact NH2-OE1 3.71Å; R523-E561 IonicContact NH2-OE2 3.28Å; R523-E561 PolarHBondContact NH2-OE2 3.47Å; E561-E563 HydrophobicContact CG-CG 3.93Å
562	I	97.9	Very high	91.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	113.5	176.1	-56.6	-177	0	0	0	107.6	I472 H475 L476 L504 L512 I514 L560 L574	I472-I562 HydrophobicContact CG2-CB 4.4Å; I472-I562 HydrophobicContact CG2-CG2 3.66Å; H475-I562 WeakPolarHBondContact CA-O 3.41Å; L476-I562 HydrophobicContact CB-CB 4.44Å; L476-I562 PolarHBondContact N-O 2.97Å; L476-I562 PolarHBondContact O-N 2.95Å; L504-I562 HydrophobicContact CD2-CD1 4.33Å; L512-I562 HydrophobicContact CD2-CG2 3.86Å; I514-I562 HydrophobicContact CG1-CG1 4.36Å; I514-I562 HydrophobicContact CG1-CG2 4.38Å; I514-I562 HydrophobicContact CG2-CG1 4.29Å; L560-I562 HydrophobicContact CD2-CD1 4.22Å; L560-I562 HydrophobicContact CD2-CG1 4.42Å; L560-I562 HydrophobicContact CG-CG1 4.27Å; I562-L574 HydrophobicContact CD1-CD1 4.29Å; I562-L574 HydrophobicContact CD1-CD2 3.98Å
563	E	95.2	Very high	91.7	Very high	55 Å²	55	48.4 Å²	48.4	26%	0.257	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	142.4	-175.9	-60.9	169	-120.3	0	0	110.1	L512 A513 H515 R523 E561	L512-E563 WeakPolarHBondContact CA-O 3.46Å; A513-E563 HydrophobicContact CB-CB 4.36Å; A513-E563 PolarHBondContact N-O 2.97Å; A513-E563 PolarHBondContact O-N 3.25Å; H515-E563 IonicContact CE1-OE1 3.37Å; H515-E563 PolarHBondContact CE1-OE1 3.32Å; H515-E563 IonicContact ND1-OE1 2.84Å; H515-E563 PolarHBondContact ND1-OE1 2.82Å; R523-E563 IonicContact NH2-OE1 3.75Å; R523-E563 PolarHBondContact NH2-OE1 3.47Å; E561-E563 HydrophobicContact CG-CG 3.93Å
564	N	92.3	Very high	91.7	Very high	15 Å²	15	44.4 Å²	44.4	8%	0.08	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	116.9	165.4	-178.7	-7.5	0	0	0	110.5	S474 Y506 N511 A566 G567 D570	S474-N564 PolarHBondContact O-N 3.24Å; Y506-N564 WeakPolarHBondContact OH-CB 3.49Å; Y506-N564 PolarHBondContact OH-ND2 2.95Å; N511-N564 WeakPolarHBondContact O-CA 3.46Å; N511-N564 PolarHBondContact O-OD1 3.18Å; N564-A566 WeakPolarHBondContact OD1-CA 3.45Å; N564-A566 WeakPolarHBondContact OD1-CB 3.45Å; N564-A566 PolarHBondContact OD1-N 3.36Å; N564-G567 PolarHBondContact ND2-O 3.33Å; N564-G567 PolarHBondContact OD1-N 3.06Å; N564-D570 VanDerWaalsContact ND2-CB 3.29Å; N564-D570 WeakPolarHBondContact ND2-CB 3.13Å; N564-D570 PolarHBondContact ND2-OD2 2.82Å; N564-D570 PolarHBondContact OD1-OD2 3.49Å
565	V	90.2	Very high	91.7	Very high	84 Å²	84	47.5 Å²	47.5	51%	0.509	29%	0.287	S	S	.	.	S	Bend	trans	-82.2	-12	-179.3	-54.9	0	0	0	0	114.6	N511 A513 P529	N511-V565 WeakPolarHBondContact O-CG2 3.48Å; N511-V565 PolarHBondContact O-N 3.04Å; A513-V565 HydrophobicContact CB-CG1 4.16Å; P529-V565 HydrophobicContact CB-CG1 4.5Å; P529-V565 HydrophobicContact CB-CG2 3.75Å; P529-V565 HydrophobicContact CG-CB 4.34Å; P529-V565 HydrophobicContact CG-CG1 3.66Å; P529-V565 HydrophobicContact CG-CG2 3.83Å
566	A	82.3	Confident	91.7	Very high	58 Å²	58	49 Å²	49	48%	0.479	29%	0.289	S	S	.	.	S	Bend	trans	-92.3	-15	177.9	0	0	0	0	0	114	N511 N564	N511-A566 HydrophobicContact CB-CB 4.08Å; N511-A566 WeakPolarHBondContact ND2-CB 3.1Å; N564-A566 WeakPolarHBondContact OD1-CA 3.45Å; N564-A566 WeakPolarHBondContact OD1-CB 3.45Å; N564-A566 PolarHBondContact OD1-N 3.36Å
567	G	70.3	Confident	91.7	Very high	31 Å²	31	48.3 Å²	48.3	32%	0.32	28%	0.281	S	S	.	.			trans	97	-176.1	177.7	0	0	0	0	0	114.9	N564 S569	N564-G567 PolarHBondContact ND2-O 3.33Å; N564-G567 PolarHBondContact OD1-N 3.06Å; G567-S569 PolarHBondContact O-N 2.85Å
568	A	66.2	Low	91.8	Very high	93 Å²	93	45.9 Å²	45.9	77%	0.769	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	14.8	-156.1	0	0	0	0	0	118
569	S	79.5	Confident	91.8	Very high	97 Å²	97	45.7 Å²	45.7	68%	0.678	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-23.2	179.5	53.6	0	0	0	0	114.8	G567	G567-S569 PolarHBondContact O-N 2.85Å
570	D	87	Confident	91.8	Very high	19 Å²	19	41.1 Å²	41.1	10%	0.102	25%	0.248	C	C	.	.			trans	-83.9	157.3	178.5	-55.7	-51.3	0	0	0	111.7	Y506 N507 N511 N564	Y506-D570 HydrophobicContact CD1-CB 4.47Å; Y506-D570 HydrophobicContact CE1-CB 3.54Å; Y506-D570 WeakPolarHBondContact OH-CB 3.02Å; N507-D570 PolarHBondContact ND2-OD1 3.29Å; N507-D570 VanDerWaalsContact OD1-CA 3.26Å; N507-D570 WeakPolarHBondContact OD1-CA 3.06Å; N507-D570 WeakPolarHBondContact OD1-CB 3.4Å; N511-D570 PolarHBondContact ND2-OD2 2.81Å; N564-D570 VanDerWaalsContact ND2-CB 3.29Å; N564-D570 WeakPolarHBondContact ND2-CB 3.13Å; N564-D570 PolarHBondContact ND2-OD2 2.82Å; N564-D570 PolarHBondContact OD1-OD2 3.49Å
571	Y	90.8	Very high	91.8	Very high	164 Å²	164	41 Å²	41	64%	0.643	25%	0.248	S	C	*	.			trans	-144.4	148.7	-174.3	58.7	-90.6	0	0	0	111.2	N507	N507-Y571 HydrophobicContact CB-CD1 4.42Å; N507-Y571 HydrophobicContact CB-CE1 3.96Å; N507-Y571 HydrophobicContact CB-CE2 4.12Å; N507-Y571 PolarHBondContact N-O 3.08Å; N507-Y571 PolarHBondContact OD1-N 2.81Å; N507-Y571 PolarHBondContact OD1-O 3.06Å; N507-Y571 VanDerWaalsContact OD1-O 3.08Å
572	G	93.8	Very high	91.8	Very high	7 Å²	7	40 Å²	40	7%	0.072	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.9	170.8	177.6	0	0	0	0	0	112.8	N471 I472 T505	N471-G572 PolarHBondContact OD1-O 3.39Å; I472-G572 PolarHBondContact N-O 3.03Å; T505-G572 CarbonylContact O-C 3.54Å; T505-G572 WeakPolarHBondContact O-CA 3.26Å
573	T	96.9	Very high	91.8	Very high	47 Å²	47	40 Å²	40	29%	0.288	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	125.1	-170.2	-58	0	0	0	0	109.8	P469 R470 L504 T505 T575	P469-T573 HydrophobicContact CB-CG2 3.63Å; R470-T573 CarbonylContact O-C 3.32Å; R470-T573 WeakPolarHBondContact O-CA 3.41Å; R470-T573 WeakPolarHBondContact O-CG2 3.45Å; L504-T573 VanDerWaalsContact CA-O 3.26Å; L504-T573 WeakPolarHBondContact CA-O 3.39Å; T505-T573 PolarHBondContact N-O 2.97Å; T505-T573 PolarHBondContact O-N 2.85Å; T505-T573 PolarHBondContact OG1-N 3.41Å; T573-T575 HydrophobicContact CG2-CG2 4.09Å
574	L	98.2	Very high	91.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	114.6	166.3	-179.6	69.3	0	0	0	108.2	L466 P469 R470 I472 L476 I478 L502 L504 L560 I562 Q576 F577	L466-L574 HydrophobicContact CD1-CD2 3.79Å; L466-L574 HydrophobicContact CD1-CG 3.73Å; P469-L574 CarbonylContact C-O 3.58Å; P469-L574 WeakPolarHBondContact CA-O 3.36Å; R470-L574 PolarHBondContact N-O 3.37Å; R470-L574 PolarHBondContact O-N 3.13Å; I472-L574 HydrophobicContact CD1-CB 4.38Å; I472-L574 HydrophobicContact CG1-CB 4.22Å; L476-L574 HydrophobicContact CD2-CB 4.11Å; L476-L574 HydrophobicContact CD2-CD2 4.04Å; I478-L574 HydrophobicContact CD1-CD2 3.47Å; I478-L574 VanDerWaalsContact CD1-CD2 3.47Å; L502-L574 HydrophobicContact CB-CD1 4.22Å; L502-L574 HydrophobicContact CD2-CD1 4.14Å; L504-L574 HydrophobicContact CB-CB 4.38Å; L504-L574 HydrophobicContact CB-CD1 3.91Å; L504-L574 HydrophobicContact CD2-CD1 4.21Å; L560-L574 HydrophobicContact CD2-CD2 4Å; I562-L574 HydrophobicContact CD1-CD1 4.29Å; I562-L574 HydrophobicContact CD1-CD2 3.98Å; L574-Q576 WeakPolarHBondContact CD1-O 3.07Å; L574-F577 HydrophobicContact CD2-CB 4.39Å
575	T	97.6	Very high	91.6	Very high	65 Å²	65	39.1 Å²	39.1	40%	0.399	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	-29.8	-177.3	57.4	0	0	0	0	112.5	P469 T503 T573	P469-T575 HydrophobicContact CB-CG2 4.37Å; T503-T575 WeakPolarHBondContact CG2-OG1 3.49Å; T503-T575 PolarHBondContact O-N 2.88Å; T503-T575 PolarHBondContact O-OG1 3.45Å; T503-T575 VanDerWaalsContact O-OG1 3.08Å; T573-T575 HydrophobicContact CG2-CG2 4.09Å
576	Q	97.8	Very high	90.6	Very high	73 Å²	73	38.9 Å²	38.9	34%	0.341	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	135.9	177.3	-169.9	178.7	-61.7	0	0	110.7	L502 T503 D541 L574	L502-Q576 WeakPolarHBondContact CA-O 3.48Å; T503-Q576 PolarHBondContact N-O 3.04Å; T503-Q576 PolarHBondContact O-N 3.5Å; T503-Q576 VanDerWaalsContact O-N 3.14Å; D541-Q576 PolarHBondContact OD1-NE2 3.2Å; L574-Q576 WeakPolarHBondContact CD1-O 3.07Å
577	F	98.2	Very high	89.3	Confident	5 Å²	5	40.9 Å²	40.9	2%	0.022	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	113.4	163.1	170.9	-155.5	0	0	0	108	I465 L466 I478 A500 R501 L502 L516 L560 L574 L579	I465-F577 HydrophobicContact CB-CB 4.31Å; I465-F577 HydrophobicContact CB-CD1 3.51Å; I465-F577 HydrophobicContact CB-CE1 3.9Å; I465-F577 HydrophobicContact CB-CG 3.91Å; I465-F577 WeakPolarHBondContact CB-O 3.33Å; I465-F577 HydrophobicContact CG1-CD1 3.73Å; I465-F577 HydrophobicContact CG1-CD2 4.21Å; I465-F577 HydrophobicContact CG1-CE1 3.69Å; I465-F577 HydrophobicContact CG1-CE2 4.15Å; I465-F577 HydrophobicContact CG1-CG 3.99Å; I465-F577 HydrophobicContact CG1-CZ 3.9Å; I465-F577 HydrophobicContact CG2-CD1 3.53Å; I465-F577 HydrophobicContact CG2-CE1 3.71Å; I465-F577 HydrophobicContact CG2-CG 4.41Å; I465-F577 PolarHBondContact N-O 2.91Å; L466-F577 HydrophobicContact CD1-CB 4.08Å; L466-F577 HydrophobicContact CG-CB 4.1Å; I478-F577 HydrophobicContact CG2-CD1 4.44Å; A500-F577 HydrophobicContact CB-CD2 4.35Å; A500-F577 HydrophobicContact CB-CE2 3.72Å; R501-F577 WeakPolarHBondContact O-CA 3.43Å; L502-F577 HydrophobicContact CD2-CB 3.87Å; L502-F577 HydrophobicContact CD2-CD2 3.46Å; L502-F577 VanDerWaalsContact CD2-CD2 3.46Å; L502-F577 HydrophobicContact CD2-CE2 4.24Å; L502-F577 HydrophobicContact CD2-CG 3.79Å; L516-F577 HydrophobicContact CD1-CZ 4.17Å; L560-F577 HydrophobicContact CB-CD1 4.17Å; L560-F577 HydrophobicContact CB-CE1 3.53Å; L560-F577 HydrophobicContact CB-CZ 3.99Å; L560-F577 HydrophobicContact CD2-CB 4.47Å; L560-F577 HydrophobicContact CD2-CD1 3.51Å; L560-F577 HydrophobicContact CD2-CD2 4.29Å; L560-F577 HydrophobicContact CD2-CE1 3.7Å; L560-F577 HydrophobicContact CD2-CE2 4.45Å; L560-F577 HydrophobicContact CD2-CG 3.85Å; L560-F577 HydrophobicContact CD2-CZ 4.18Å; L560-F577 HydrophobicContact CG-CD1 4.46Å; L560-F577 HydrophobicContact CG-CE1 4.18Å; L574-F577 HydrophobicContact CD2-CB 4.39Å; F577-L579 HydrophobicContact CE2-CB 4.15Å; F577-L579 HydrophobicContact CE2-CD1 4.48Å; F577-L579 HydrophobicContact CZ-CB 4.38Å
578	T	98.5	Very high	87.9	Confident	15 Å²	15	40.9 Å²	40.9	9%	0.092	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	116.8	173.6	-54.7	0	0	0	0	108.7	V462 I463 R501 V580	V462-T578 HydrophobicContact CG1-CG2 3.61Å; I463-T578 CarbonylContact O-C 3.25Å; I463-T578 WeakPolarHBondContact O-CA 3.48Å; R501-T578 PolarHBondContact N-O 3.04Å; R501-T578 PolarHBondContact O-N 2.58Å; T578-V580 HydrophobicContact CG2-CG2 4.21Å
579	L	98.7	Very high	86.7	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	124.9	172.8	-176.3	66.5	0	0	0	108.4	I463 I465 V482 V498 L516 W558 F577 L581	I463-L579 HydrophobicContact CB-CB 4.44Å; I463-L579 PolarHBondContact N-O 3.04Å; I463-L579 PolarHBondContact O-N 3.34Å; I465-L579 HydrophobicContact CD1-CB 3.8Å; I465-L579 HydrophobicContact CD1-CD2 4.28Å; I465-L579 HydrophobicContact CG1-CB 3.9Å; V482-L579 HydrophobicContact CG1-CD2 4.38Å; V498-L579 HydrophobicContact CG1-CD1 3.66Å; L516-L579 HydrophobicContact CD2-CD1 4.2Å; W558-L579 HydrophobicContact CB-CD2 4.19Å; W558-L579 HydrophobicContact CD2-CD1 4.48Å; W558-L579 HydrophobicContact CD2-CD2 3.84Å; W558-L579 HydrophobicContact CE3-CD1 4.37Å; W558-L579 HydrophobicContact CG-CD2 3.65Å; F577-L579 HydrophobicContact CE2-CB 4.15Å; F577-L579 HydrophobicContact CE2-CD1 4.48Å; F577-L579 HydrophobicContact CZ-CB 4.38Å; L579-L581 HydrophobicContact CD1-CD2 4.2Å; L579-L581 HydrophobicContact CD2-CD2 4.04Å; L579-L581 HydrophobicContact CD2-CG 4.49Å; L579-L581 HydrophobicContact CG-CD2 3.89Å; L579-L581 HydrophobicContact CG-CG 4.29Å
580	V	98.8	Very high	84.5	Confident	2 Å²	2	44 Å²	44	1%	0.012	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	121.5	175.8	-171.4	0	0	0	0	108.7	K460 C461 V462 V498 Q499 R501 T578 Y582	K460-V580 HydrophobicContact CD-CG1 4.38Å; K460-V580 HydrophobicContact CG-CG1 3.86Å; C461-V580 WeakPolarHBondContact O-CA 3.34Å; V462-V580 HydrophobicContact CG1-CG2 4.44Å; V462-V580 HydrophobicContact CG2-CG1 4.18Å; V498-V580 WeakPolarHBondContact CA-O 3.28Å; Q499-V580 HydrophobicContact CB-CB 4.21Å; Q499-V580 PolarHBondContact N-O 3.2Å; Q499-V580 PolarHBondContact O-N 3.42Å; R501-V580 HydrophobicContact CG-CG2 4.23Å; T578-V580 HydrophobicContact CG2-CG2 4.21Å; V580-Y582 HydrophobicContact CB-CE2 4.16Å; V580-Y582 HydrophobicContact CG1-CD2 3.98Å; V580-Y582 HydrophobicContact CG1-CE2 3.35Å
581	L	98.8	Very high	82	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	119.5	-178.1	-51.9	169.2	0	0	0	108.1	K460 C461 I463 A484 L495 V498 P554 W558 L579	K460-L581 WeakPolarHBondContact CA-O 3.2Å; C461-L581 HydrophobicContact CB-CB 4.23Å; C461-L581 HydrophobicContact CB-CD1 4.49Å; C461-L581 PolarHBondContact N-O 2.96Å; C461-L581 PolarHBondContact O-N 2.91Å; I463-L581 HydrophobicContact CD1-CD1 3.95Å; A484-L581 HydrophobicContact CB-CD1 4.01Å; L495-L581 HydrophobicContact CD2-CB 4.06Å; L495-L581 HydrophobicContact CD2-CD2 4.13Å; V498-L581 HydrophobicContact CG1-CD2 4.04Å; V498-L581 HydrophobicContact CG2-CD2 3.99Å; P554-L581 HydrophobicContact CB-CD1 3.88Å; P554-L581 HydrophobicContact CB-CD2 4.23Å; P554-L581 HydrophobicContact CG-CD1 4.34Å; W558-L581 HydrophobicContact CH2-CD2 4.41Å; W558-L581 HydrophobicContact CZ2-CD2 3.85Å; L579-L581 HydrophobicContact CD1-CD2 4.2Å; L579-L581 HydrophobicContact CD2-CD2 4.04Å; L579-L581 HydrophobicContact CD2-CG 4.49Å; L579-L581 HydrophobicContact CG-CD2 3.89Å; L579-L581 HydrophobicContact CG-CG 4.29Å
582	Y	98.8	Very high	79.2	Confident	10 Å²	10	44.7 Å²	44.7	4%	0.039	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	147.7	171.5	-65.5	-96.7	0	0	0	109.5	I323 Q458 R459 K460 L495 E496 H497 Q499 V580	I323-Y582 HydrophobicContact CD1-CD1 3.81Å; I323-Y582 HydrophobicContact CD1-CD2 4.37Å; I323-Y582 HydrophobicContact CD1-CE1 3.46Å; I323-Y582 VanDerWaalsContact CD1-CE1 3.46Å; I323-Y582 HydrophobicContact CD1-CE2 4.08Å; I323-Y582 HydrophobicContact CD1-CG 4.23Å; Q458-Y582 HydrophobicContact CG-CD1 4.39Å; R459-Y582 WeakPolarHBondContact O-CA 3.47Å; K460-Y582 HydrophobicContact CB-CD1 4.3Å; K460-Y582 HydrophobicContact CB-CE1 4.23Å; K460-Y582 HydrophobicContact CD-CE1 3.83Å; K460-Y582 WeakPolarHBondContact CE-OH 3.3Å; K460-Y582 HydrophobicContact CG-CD1 4.23Å; K460-Y582 HydrophobicContact CG-CE1 3.83Å; L495-Y582 WeakPolarHBondContact CD2-O 3.48Å; E496-Y582 PolarHBondContact N-O 3.05Å; H497-Y582 HydrophobicContact CB-CD2 4.26Å; H497-Y582 HydrophobicContact CB-CG 4.5Å; H497-Y582 WeakPolarHBondContact O-CB 3.4Å; H497-Y582 PolarHBondContact O-N 3.01Å; Q499-Y582 HydrophobicContact CG-CE2 4.25Å; V580-Y582 HydrophobicContact CB-CE2 4.16Å; V580-Y582 HydrophobicContact CG1-CD2 3.98Å; V580-Y582 HydrophobicContact CG1-CE2 3.35Å
583	G	97.7	Very high	76.4	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.2	-151.1	173.4	0	0	0	0	0	113.8	R459 S494	R459-G583 PolarHBondContact N-O 3Å; R459-G583 PolarHBondContact O-N 2.69Å; R459-G583 VanDerWaalsContact O-N 3.12Å; S494-G583 WeakPolarHBondContact O-CA 3.43Å
584	T	96.2	Very high	73.3	Confident	32 Å²	32	57.6 Å²	57.6	20%	0.196	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	159.2	174.7	59.1	0	0	0	0	111	R402 V455 T493 S494	R402-T584 VanDerWaalsContact NH2-CG2 3.31Å; V455-T584 HydrophobicContact CB-CG2 4.47Å; T493-T584 PolarHBondContact N-O 3.11Å; S494-T584 PolarHBondContact N-O 2.8Å; S494-T584 PolarHBondContact O-N 3.24Å
585	G	86.8	Confident	70.1	Confident	19 Å²	19	63.4 Å²	63.4	20%	0.196	38%	0.379	C	S	.	.			trans	-157.6	151.7	174.3	0	0	0	0	0	111.5	R459 T493	R459-G585 VanDerWaalsContact CZ-O 3.23Å; R459-G585 PolarHBondContact NH1-O 3.07Å; T493-G585 WeakPolarHBondContact OG1-CA 3.2Å
586	S	69.5	Low	66.9	Low	79 Å²	79	68.1 Å²	68.1	55%	0.552	40%	0.397	S	S	*	.			trans	-67.4	145.8	167.3	-55.4	0	0	0	0	109.8	R459 S588	R459-S586 PolarHBondContact NH1-O 2.97Å; S586-S588 PolarHBondContact O-N 3.09Å
587	P	55.7	Low	64	Low	100 Å²	100	68 Å²	68	65%	0.649	40%	0.403	S	S	*	.			trans	-58.1	133.1	160.2	27.1	-32.8	0	0	0	108.1	S589	P587-S589 PolarHBondContact O-N 2.83Å; P587-S589 VanDerWaalsContact O-N 3.11Å
588	S	41.8	Very low	61.1	Low	32 Å²	32	73.8 Å²	73.8	22%	0.224	43%	0.434	C	S	.	.			trans	-66.4	113.4	-177.4	49.7	0	0	0	0	110.2	S586 N590 S591	S586-S588 PolarHBondContact O-N 3.09Å; S588-N590 PolarHBondContact O-N 3.11Å; S588-S591 PolarHBondContact O-N 3.03Å; S588-S591 PolarHBondContact O-OG 3.37Å
589	S	40.2	Very low	58.6	Low	113 Å²	113	77.4 Å²	77.4	79%	0.79	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	20.7	173.8	58	0	0	0	0	114.3	P587	P587-S589 PolarHBondContact O-N 2.83Å; P587-S589 VanDerWaalsContact O-N 3.11Å
590	N	34	Very low	56.7	Low	143 Å²	143	84.1 Å²	84.1	77%	0.765	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	1.9	171.8	-78.7	-0.5	0	0	0	112.6	S588 S592	S588-N590 PolarHBondContact O-N 3.11Å; N590-S592 PolarHBondContact O-N 3.48Å
591	S	32.6	Very low	55.2	Low	83 Å²	83	86.5 Å²	86.5	58%	0.58	50%	0.501	S	S	*	.			trans	-77.2	70.7	151.4	54.1	0	0	0	0	109.6	S588 E593	S588-S591 PolarHBondContact O-N 3.03Å; S588-S591 PolarHBondContact O-OG 3.37Å; S591-E593 PolarHBondContact O-N 3.48Å
592	S	32.4	Very low	53.9	Low	114 Å²	114	87.4 Å²	87.4	80%	0.797	51%	0.508	S	S	*	.			trans	-75	4.9	154.3	57.2	0	0	0	0	111.8	N590 Q594	N590-S592 PolarHBondContact O-N 3.48Å; S592-Q594 PolarHBondContact O-N 3.32Å; S592-Q594 VanDerWaalsContact O-N 3.17Å
593	E	35.2	Very low	52.9	Low	162 Å²	162	92.5 Å²	92.5	76%	0.757	53%	0.53	S	S	*	.	S	Bend	trans	-62.3	105.1	146.3	-69	-174.3	164.2	0	0	108	S591	S591-E593 PolarHBondContact O-N 3.48Å
594	Q	31.5	Very low	51.6	Low	163 Å²	163	95 Å²	95	76%	0.762	55%	0.545	S	S	*	.			trans	-45.3	147.1	157.9	-62.8	173.4	-60.5	0	0	108.5	S592 Q596	S592-Q594 PolarHBondContact O-N 3.32Å; S592-Q594 VanDerWaalsContact O-N 3.17Å; Q594-Q596 VanDerWaalsContact C-N 3.33Å; Q594-Q596 PolarHBondContact O-N 2.94Å
595	P	31.8	Very low	50.6	Low	122 Å²	122	96.6 Å²	96.6	79%	0.792	55%	0.552	S	S	*	*			trans	-58.5	101.1	176	25.4	-34	0	0	0	108.7	C597	P595-C597 VanDerWaalsContact C-N 3.28Å; P595-C597 PolarHBondContact O-N 3.39Å
596	Q	31.2	Very low	49.7	Very low	164 Å²	164	98.3 Å²	98.3	77%	0.766	56%	0.557	S	S	*	*			trans	-70.3	97	173	-156.6	173.8	21.6	0	0	104.5	Q594 N598	Q594-Q596 VanDerWaalsContact C-N 3.33Å; Q594-Q596 PolarHBondContact O-N 2.94Å; Q596-N598 PolarHBondContact O-N 2.89Å
597	C	35.2	Very low	49.4	Very low	71 Å²	71	103.2 Å²	103.2	48%	0.48	58%	0.576	S	S	.	*			trans	-49.3	129.3	173.5	-67.2	0	0	0	0	107.8	P595 N599	P595-C597 VanDerWaalsContact C-N 3.28Å; P595-C597 PolarHBondContact O-N 3.39Å; C597-N599 PolarHBondContact O-N 2.91Å; C597-N599 PolarHBondContact O-OD1 3.35Å
598	N	37.6	Very low	49.9	Very low	125 Å²	125	102.5 Å²	102.5	67%	0.668	57%	0.573	S	S	*	*			trans	-52.7	104.8	173.3	-86.2	-19.6	0	0	0	108.5	Q596 D600 I601	Q596-N598 PolarHBondContact O-N 2.89Å; N598-D600 PolarHBondContact O-N 2.72Å; N598-I601 HydrophobicContact CB-CD1 4.41Å; N598-I601 HydrophobicContact CB-CG1 4.46Å; N598-I601 PolarHBondContact O-N 3.27Å
599	N	46.7	Very low	51	Low	91 Å²	91	107.2 Å²	107.2	49%	0.487	59%	0.593	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65	-10.1	-173.6	-82.8	-28.5	0	0	0	112.5	C597	C597-N599 PolarHBondContact O-N 2.91Å; C597-N599 PolarHBondContact O-OD1 3.35Å
600	D	58.1	Low	52.4	Low	142 Å²	142	106 Å²	106	76%	0.759	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-10.5	-178.9	-61.8	-24.3	0	0	0	114.4	N598 N615	N598-D600 PolarHBondContact O-N 2.72Å; D600-N615 PolarHBondContact O-ND2 2.84Å
601	I	68.6	Low	54.3	Low	51 Å²	51	99.6 Å²	99.6	26%	0.262	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-27.5	-178.1	-46.4	-178.7	0	0	0	111.9	N598 N615 Y618 C625	N598-I601 HydrophobicContact CB-CD1 4.41Å; N598-I601 HydrophobicContact CB-CG1 4.46Å; N598-I601 PolarHBondContact O-N 3.27Å; I601-N615 PolarHBondContact O-N 3.36Å; I601-Y618 HydrophobicContact CG2-CD1 3.58Å; I601-Y618 HydrophobicContact CG2-CD2 3.99Å; I601-Y618 HydrophobicContact CG2-CE1 3.75Å; I601-Y618 HydrophobicContact CG2-CE2 4.13Å; I601-Y618 HydrophobicContact CG2-CG 3.72Å; I601-C625 HydrophobicContact CG2-CB 3.71Å
602	C	71.6	Confident	56.3	Low	20 Å²	20	97.1 Å²	97.1	14%	0.135	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	128.6	177.5	-172.1	0	0	0	0	111	T604 L605 C611	C602-T604 PolarHBondContact SG-O 3.01Å; C602-L605 HydrophobicContact CB-CD2 4.35Å; C602-C611 VanDerWaalsContact CA-SG 3.55Å; C602-C611 HydrophobicContact CB-CB 3.93Å; C602-C611 WeakPolarHBondContact CB-SG 3.43Å; C602-C611 WeakPolarHBondContact SG-CA 3.28Å; C602-C611 WeakPolarHBondContact SG-CB 3.39Å; C602-C611 CovalentContact SG-SG 2.03Å; C602-C611 PolarHBondContact SG-SG 3Å
603	K	75.8	Confident	58.5	Low	117 Å²	117	94.3 Å²	94.3	51%	0.509	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	-38.1	177.8	-176.2	177.6	161.8	-157.7	0	112.2	E613 N615	K603-E613 WeakPolarHBondContact CA-O 3.35Å; K603-E613 HydrophobicContact CB-CB 4.42Å; K603-E613 HydrophobicContact CB-CG 4.31Å; K603-E613 WeakPolarHBondContact CB-O 3.36Å; K603-E613 HydrophobicContact CD-CG 4.14Å; K603-E613 WeakPolarHBondContact CE-OE1 3.35Å; K603-E613 PolarHBondContact N-O 2.67Å; K603-E613 IonicContact NZ-OE1 2.67Å; K603-E613 PolarHBondContact NZ-OE1 3.49Å; K603-E613 IonicContact NZ-OE2 3.57Å; K603-N615 WeakPolarHBondContact CB-OD1 3.16Å
604	T	72.4	Confident	60.7	Low	53 Å²	53	87.4 Å²	87.4	33%	0.325	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	129.6	-178.1	-48.4	0	0	0	0	110.6	C602 I612 E613	C602-T604 PolarHBondContact SG-O 3.01Å; T604-I612 HydrophobicContact CG2-CD1 3.87Å; T604-I612 HydrophobicContact CG2-CG1 3.93Å; T604-I612 WeakPolarHBondContact O-CG1 3.47Å; T604-I612 PolarHBondContact O-N 3.2Å; T604-E613 PolarHBondContact N-O 2.79Å; T604-E613 VanDerWaalsContact N-O 3.11Å; T604-E613 PolarHBondContact O-N 3.27Å; T604-E613 PolarHBondContact OG1-OE2 3.09Å
605	L	73.2	Confident	63.1	Low	65 Å²	65	82.1 Å²	82.1	34%	0.34	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	153.9	178.2	-67.5	161.6	0	0	0	111.5	C602 K610 C611	C602-L605 HydrophobicContact CB-CD2 4.35Å; L605-K610 CarbonylContact C-O 3.57Å; L605-K610 WeakPolarHBondContact CA-O 3.39Å; L605-C611 HydrophobicContact CD2-CB 4.45Å
606	D	69	Low	65.2	Low	55 Å²	55	82.1 Å²	82.1	29%	0.294	44%	0.441	S	S	.	.			trans	-89.4	175.7	169.3	77.9	5.1	0	0	0	113.4	S608 M609 K610 I612	D606-S608 PolarHBondContact O-N 2.03Å; D606-S608 VanDerWaalsContact OD1-C 3.23Å; D606-S608 VanDerWaalsContact OD1-CA 3.24Å; D606-S608 WeakPolarHBondContact OD1-CA 3.04Å; D606-S608 WeakPolarHBondContact OD1-CB 3.49Å; D606-S608 PolarHBondContact OD1-N 2.88Å; D606-M609 PolarHBondContact O-N 3.37Å; D606-M609 PolarHBondContact OD1-N 2.79Å; D606-M609 VanDerWaalsContact OD1-N 3.15Å; D606-K610 PolarHBondContact N-O 3.33Å; D606-K610 PolarHBondContact OD1-N 2.84Å; D606-I612 HydrophobicContact CB-CG2 3.86Å
607	L	63	Low	67.4	Low	182 Å²	182	76.8 Å²	76.8	95%	0.953	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-9.7	177	-69.3	168.8	0	0	0	114.3
608	S	66.4	Low	69.6	Low	84 Å²	84	77.4 Å²	77.4	59%	0.587	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.6	15.8	176.1	-57.4	0	0	0	0	112.5	D606 K610	D606-S608 PolarHBondContact O-N 2.03Å; D606-S608 VanDerWaalsContact OD1-C 3.23Å; D606-S608 VanDerWaalsContact OD1-CA 3.24Å; D606-S608 WeakPolarHBondContact OD1-CA 3.04Å; D606-S608 WeakPolarHBondContact OD1-CB 3.49Å; D606-S608 PolarHBondContact OD1-N 2.88Å; S608-K610 PolarHBondContact O-N 2.87Å
609	M	64.4	Low	71.8	Confident	131 Å²	131	74.4 Å²	74.4	65%	0.645	40%	0.402	S	S	*	.	S	Bend	trans	58.2	25.2	-176.1	-56.4	-169.7	73.2	0	0	114.8	D606	D606-M609 PolarHBondContact O-N 3.37Å; D606-M609 PolarHBondContact OD1-N 2.79Å; D606-M609 VanDerWaalsContact OD1-N 3.15Å
610	K	70.3	Confident	73.6	Confident	87 Å²	87	71 Å²	71	38%	0.378	38%	0.384	S	S	.	.			trans	-91.5	143.3	172	-64.3	174	-177.1	170.1	0	110.1	L605 D606 S608 I612	L605-K610 CarbonylContact C-O 3.57Å; L605-K610 WeakPolarHBondContact CA-O 3.39Å; D606-K610 PolarHBondContact N-O 3.33Å; D606-K610 PolarHBondContact OD1-N 2.84Å; S608-K610 PolarHBondContact O-N 2.87Å; K610-I612 PolarHBondContact O-N 2.84Å
611	C	73.9	Confident	74.8	Confident	9 Å²	9	66.1 Å²	66.1	6%	0.061	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	135.1	174.6	-160.6	0	0	0	0	111	C602 L605 E613 L620 Q623 C625	C602-C611 VanDerWaalsContact CA-SG 3.55Å; C602-C611 HydrophobicContact CB-CB 3.93Å; C602-C611 WeakPolarHBondContact CB-SG 3.43Å; C602-C611 WeakPolarHBondContact SG-CA 3.28Å; C602-C611 WeakPolarHBondContact SG-CB 3.39Å; C602-C611 CovalentContact SG-SG 2.03Å; C602-C611 PolarHBondContact SG-SG 3Å; L605-C611 HydrophobicContact CD2-CB 4.45Å; C611-E613 PolarHBondContact SG-O 2.86Å; C611-L620 HydrophobicContact CB-CD1 3.96Å; C611-L620 VanDerWaalsContact O-CD1 3.27Å; C611-L620 WeakPolarHBondContact O-CD1 3.44Å; C611-Q623 PolarHBondContact N-O 2.85Å; C611-C625 PolarHBondContact SG-SG 2.94Å
612	I	74.9	Confident	75.2	Confident	32 Å²	32	71.3 Å²	71.3	16%	0.164	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	-20.2	174.2	58.2	169.8	0	0	0	112.7	T604 D606 K610 L640 Y642	T604-I612 HydrophobicContact CG2-CD1 3.87Å; T604-I612 HydrophobicContact CG2-CG1 3.93Å; T604-I612 WeakPolarHBondContact O-CG1 3.47Å; T604-I612 PolarHBondContact O-N 3.2Å; D606-I612 HydrophobicContact CB-CG2 3.86Å; K610-I612 PolarHBondContact O-N 2.84Å; I612-L640 HydrophobicContact CB-CD2 4.2Å; I612-Y642 HydrophobicContact CD1-CE2 3.99Å
613	E	77.9	Confident	75.2	Confident	55 Å²	55	76.3 Å²	76.3	26%	0.257	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	129.6	174.4	-169.3	-175	-172.7	0	0	109.9	K603 T604 C611 V653	K603-E613 WeakPolarHBondContact CA-O 3.35Å; K603-E613 HydrophobicContact CB-CB 4.42Å; K603-E613 HydrophobicContact CB-CG 4.31Å; K603-E613 WeakPolarHBondContact CB-O 3.36Å; K603-E613 HydrophobicContact CD-CG 4.14Å; K603-E613 WeakPolarHBondContact CE-OE1 3.35Å; K603-E613 PolarHBondContact N-O 2.67Å; K603-E613 IonicContact NZ-OE1 2.67Å; K603-E613 PolarHBondContact NZ-OE1 3.49Å; K603-E613 IonicContact NZ-OE2 3.57Å; T604-E613 PolarHBondContact N-O 2.79Å; T604-E613 VanDerWaalsContact N-O 3.11Å; T604-E613 PolarHBondContact O-N 3.27Å; T604-E613 PolarHBondContact OG1-OE2 3.09Å; C611-E613 PolarHBondContact SG-O 2.86Å; E613-V653 HydrophobicContact CB-CG1 4.34Å; E613-V653 HydrophobicContact CG-CG1 4.06Å
614	C	82.4	Confident	75.3	Confident	17 Å²	17	72 Å²	72	12%	0.115	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	157.8	179.7	-62.4	0	0	0	0	112.3	C625	C614-C625 WeakPolarHBondContact CA-SG 3.49Å; C614-C625 HydrophobicContact CB-CB 3.85Å; C614-C625 WeakPolarHBondContact CB-SG 3.36Å; C614-C625 VanDerWaalsContact SG-CA 3.54Å; C614-C625 WeakPolarHBondContact SG-CB 3.44Å; C614-C625 CovalentContact SG-SG 2.03Å; C614-C625 PolarHBondContact SG-SG 3.33Å
615	N	80.8	Confident	75.8	Confident	52 Å²	52	70.8 Å²	70.8	28%	0.278	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-65	152.3	169.7	-81.1	-31.7	0	0	0	111.6	D600 I601 K603 G617 Y618	D600-N615 PolarHBondContact O-ND2 2.84Å; I601-N615 PolarHBondContact O-N 3.36Å; K603-N615 WeakPolarHBondContact CB-OD1 3.16Å; N615-G617 PolarHBondContact O-N 2.92Å; N615-Y618 PolarHBondContact O-N 3.21Å
616	P	76.8	Confident	76.2	Confident	122 Å²	122	69.5 Å²	69.5	79%	0.792	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	132.7	-179.4	-26.2	35	0	0	0	112.5
617	G	75.8	Confident	76.8	Confident	51 Å²	51	73.7 Å²	73.7	53%	0.526	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.4	1.3	-173.7	0	0	0	0	0	115	N615	N615-G617 PolarHBondContact O-N 2.92Å
618	Y	82.6	Confident	77.7	Confident	85 Å²	85	72.3 Å²	72.3	33%	0.333	38%	0.381	S	S	.	.			trans	-123.5	152.8	171	-63.2	-94.7	0	0	0	111.3	I601 N615 V626 K627	I601-Y618 HydrophobicContact CG2-CD1 3.58Å; I601-Y618 HydrophobicContact CG2-CD2 3.99Å; I601-Y618 HydrophobicContact CG2-CE1 3.75Å; I601-Y618 HydrophobicContact CG2-CE2 4.13Å; I601-Y618 HydrophobicContact CG2-CG 3.72Å; N615-Y618 PolarHBondContact O-N 3.21Å; Y618-V626 WeakPolarHBondContact CA-O 3.26Å; Y618-K627 HydrophobicContact CD1-CB 4.03Å; Y618-K627 HydrophobicContact CE1-CB 3.92Å; Y618-K627 HydrophobicContact CE1-CG 4.38Å
619	Y	84.4	Confident	78.4	Confident	61 Å²	61	69.9 Å²	69.9	24%	0.239	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	142.4	-176	-49.9	-64.3	0	0	0	110.5	F621 C625 V626 K627 V635 L654	Y619-F621 PolarHBondContact O-N 3.14Å; Y619-C625 WeakPolarHBondContact O-CA 3.22Å; Y619-V626 PolarHBondContact N-O 3Å; Y619-V626 PolarHBondContact O-N 2.99Å; Y619-K627 VanDerWaalsContact CE2-O 3.26Å; Y619-K627 WeakPolarHBondContact CE2-O 3.42Å; Y619-V635 HydrophobicContact CD1-CB 4.46Å; Y619-V635 HydrophobicContact CD1-CG1 3.67Å; Y619-V635 HydrophobicContact CD1-CG2 3.93Å; Y619-V635 HydrophobicContact CD2-CG2 3.85Å; Y619-V635 HydrophobicContact CE1-CB 4.32Å; Y619-V635 HydrophobicContact CE1-CG1 3.51Å; Y619-V635 HydrophobicContact CE1-CG2 3.76Å; Y619-V635 HydrophobicContact CE2-CG2 3.68Å; Y619-V635 HydrophobicContact CG-CG1 4.44Å; Y619-V635 HydrophobicContact CG-CG2 3.97Å; Y619-L654 HydrophobicContact CD1-CB 3.91Å; Y619-L654 HydrophobicContact CE1-CB 4.44Å; Y619-L654 HydrophobicContact CE1-CD1 4.4Å
620	L	82.6	Confident	79.3	Confident	20 Å²	20	66.1 Å²	66.1	11%	0.105	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	129.1	177.6	-164.2	76.1	0	0	0	111.2	C611 G624 L654 A655 C656	C611-L620 HydrophobicContact CB-CD1 3.96Å; C611-L620 VanDerWaalsContact O-CD1 3.27Å; C611-L620 WeakPolarHBondContact O-CD1 3.44Å; L620-G624 WeakPolarHBondContact CD1-O 3.33Å; L620-L654 PolarHBondContact N-O 3.42Å; L620-A655 HydrophobicContact CB-CB 4.04Å; L620-A655 CarbonylContact O-C 3.49Å; L620-A655 VanDerWaalsContact O-CA 3.31Å; L620-A655 WeakPolarHBondContact O-CA 3.29Å; L620-C656 PolarHBondContact O-N 2.66Å
621	F	83.4	Confident	79.6	Confident	39 Å²	39	66.5 Å²	66.5	17%	0.171	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	121.4	172.7	-177.2	-110.1	0	0	0	110.7	Y619 Q623 G624 V626 P630 F633 C656	Y619-F621 PolarHBondContact O-N 3.14Å; F621-Q623 PolarHBondContact O-N 3.08Å; F621-G624 PolarHBondContact N-O 3.07Å; F621-G624 PolarHBondContact O-N 3Å; F621-G624 VanDerWaalsContact O-N 3.09Å; F621-G624 VanDerWaalsContact O-O 3.11Å; F621-V626 HydrophobicContact CB-CG1 4.09Å; F621-V626 HydrophobicContact CB-CG2 3.71Å; F621-V626 HydrophobicContact CD1-CG1 4.39Å; F621-P630 HydrophobicContact CD1-CG 4.16Å; F621-P630 HydrophobicContact CE1-CG 3.81Å; F621-P630 HydrophobicContact CE2-CG 4.22Å; F621-P630 HydrophobicContact CZ-CB 4.45Å; F621-P630 HydrophobicContact CZ-CG 3.83Å; F621-F633 HydrophobicContact CD2-CD1 4.42Å; F621-F633 AromaticContact CE2-CD1 3.91Å; F621-F633 HydrophobicContact CE2-CD1 3.91Å; F621-F633 AromaticContact CE2-CD2 3.89Å; F621-F633 HydrophobicContact CE2-CD2 3.89Å; F621-F633 AromaticContact CE2-CE1 3.86Å; F621-F633 HydrophobicContact CE2-CE1 3.86Å; F621-F633 AromaticContact CE2-CE2 3.85Å; F621-F633 HydrophobicContact CE2-CE2 3.85Å; F621-F633 AromaticContact CE2-CG 3.95Å; F621-F633 HydrophobicContact CE2-CG 3.95Å; F621-F633 AromaticContact CE2-CZ 3.84Å; F621-F633 HydrophobicContact CE2-CZ 3.84Å; F621-F633 HydrophobicContact CZ-CD2 4.45Å; F621-F633 HydrophobicContact CZ-CE2 4.2Å; F621-F633 HydrophobicContact CZ-CZ 4.4Å; F621-C656 HydrophobicContact CB-CB 4.25Å; F621-C656 HydrophobicContact CD2-CB 3.81Å; F621-C656 HydrophobicContact CG-CB 4.43Å
622	Q	77.9	Confident	79.9	Confident	161 Å²	161	67 Å²	67	75%	0.752	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	-84.9	-178.2	-58.1	-176.7	3.6	0	0	115
623	Q	71.9	Confident	80.4	Confident	125 Å²	125	68.9 Å²	68.9	58%	0.584	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.7	1.1	-175.4	-56.4	-172.3	19.5	0	0	113.1	C611 F621	C611-Q623 PolarHBondContact N-O 2.85Å; F621-Q623 PolarHBondContact O-N 3.08Å
624	G	76.9	Confident	80.8	Confident	26 Å²	26	67.3 Å²	67.3	27%	0.268	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	-167.7	-176.5	0	0	0	0	0	113.6	L620 F621	L620-G624 WeakPolarHBondContact CD1-O 3.33Å; F621-G624 PolarHBondContact N-O 3.07Å; F621-G624 PolarHBondContact O-N 3Å; F621-G624 VanDerWaalsContact O-N 3.09Å; F621-G624 VanDerWaalsContact O-O 3.11Å
625	C	83	Confident	80.9	Confident	27 Å²	27	69.1 Å²	69.1	18%	0.182	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	130.6	-176	-64.5	0	0	0	0	111.1	I601 C611 C614 Y619	I601-C625 HydrophobicContact CG2-CB 3.71Å; C611-C625 PolarHBondContact SG-SG 2.94Å; C614-C625 WeakPolarHBondContact CA-SG 3.49Å; C614-C625 HydrophobicContact CB-CB 3.85Å; C614-C625 WeakPolarHBondContact CB-SG 3.36Å; C614-C625 VanDerWaalsContact SG-CA 3.54Å; C614-C625 WeakPolarHBondContact SG-CB 3.44Å; C614-C625 CovalentContact SG-SG 2.03Å; C614-C625 PolarHBondContact SG-SG 3.33Å; Y619-C625 WeakPolarHBondContact O-CA 3.22Å
626	V	81.1	Confident	81	Confident	39 Å²	39	67.1 Å²	67.1	24%	0.236	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	146.4	177.5	-63.7	0	0	0	0	110.4	Y618 Y619 F621 E628	Y618-V626 WeakPolarHBondContact CA-O 3.26Å; Y619-V626 PolarHBondContact N-O 3Å; Y619-V626 PolarHBondContact O-N 2.99Å; F621-V626 HydrophobicContact CB-CG1 4.09Å; F621-V626 HydrophobicContact CB-CG2 3.71Å; F621-V626 HydrophobicContact CD1-CG1 4.39Å; V626-E628 WeakPolarHBondContact CG2-O 3.31Å
627	K	81.8	Confident	81.3	Confident	142 Å²	142	65.7 Å²	65.7	62%	0.617	37%	0.367	S	S	*	.	S	Bend	trans	-76.4	-31.3	178.7	-169.7	-178.8	175.6	-170.3	0	112.3	Y618 Y619	Y618-K627 HydrophobicContact CD1-CB 4.03Å; Y618-K627 HydrophobicContact CE1-CB 3.92Å; Y618-K627 HydrophobicContact CE1-CG 4.38Å; Y619-K627 VanDerWaalsContact CE2-O 3.26Å; Y619-K627 WeakPolarHBondContact CE2-O 3.42Å
628	E	81.8	Confident	81.3	Confident	153 Å²	153	66.2 Å²	66.2	72%	0.715	36%	0.356	S	S	*	.	S	Bend	trans	-136.3	145.9	179.4	-67.8	175.2	-161.6	0	0	108.7	V626	V626-E628 WeakPolarHBondContact CG2-O 3.31Å
629	C	82.5	Confident	80.8	Confident	34 Å²	34	66.5 Å²	66.5	23%	0.23	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-79.1	136.3	-178	-66.8	0	0	0	0	111.6	F633 C656	C629-F633 HydrophobicContact CB-CB 4.23Å; C629-C656 WeakPolarHBondContact CA-SG 3.3Å; C629-C656 HydrophobicContact CB-CB 3.76Å; C629-C656 WeakPolarHBondContact CB-SG 3.31Å; C629-C656 WeakPolarHBondContact SG-CA 3.47Å; C629-C656 WeakPolarHBondContact SG-CB 3.41Å; C629-C656 CovalentContact SG-SG 2.04Å; C629-C656 PolarHBondContact SG-SG 3.01Å
630	P	82.3	Confident	80	Confident	51 Å²	51	66.4 Å²	66.4	33%	0.331	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-61.2	158.3	174.8	-25	35.8	0	0	0	113.2	F621 G632 F633	F621-P630 HydrophobicContact CD1-CG 4.16Å; F621-P630 HydrophobicContact CE1-CG 3.81Å; F621-P630 HydrophobicContact CE2-CG 4.22Å; F621-P630 HydrophobicContact CZ-CB 4.45Å; F621-P630 HydrophobicContact CZ-CG 3.83Å; P630-G632 PolarHBondContact O-N 3.22Å; P630-F633 WeakPolarHBondContact O-CB 3.4Å; P630-F633 PolarHBondContact O-N 3.45Å
631	A	76.6	Confident	78.7	Confident	96 Å²	96	74.9 Å²	74.9	79%	0.793	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	133.3	177	0	0	0	0	0	112
632	G	79.6	Confident	77.3	Confident	18 Å²	18	81 Å²	81	19%	0.186	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.7	-1.8	-173.7	0	0	0	0	0	115.2	P630 P658 C659 V664	P630-G632 PolarHBondContact O-N 3.22Å; G632-P658 WeakPolarHBondContact O-CA 3.33Å; G632-C659 PolarHBondContact O-N 2.97Å; G632-V664 VanDerWaalsContact CA-O 3.29Å; G632-V664 WeakPolarHBondContact CA-O 3.08Å
633	F	85.6	Confident	75.9	Confident	72 Å²	72	78.3 Å²	78.3	32%	0.316	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	148.6	173.1	-60.5	-100.1	0	0	0	111.1	F621 C629 P630 C656 L657 P658	F621-F633 HydrophobicContact CD2-CD1 4.42Å; F621-F633 AromaticContact CE2-CD1 3.91Å; F621-F633 HydrophobicContact CE2-CD1 3.91Å; F621-F633 AromaticContact CE2-CD2 3.89Å; F621-F633 HydrophobicContact CE2-CD2 3.89Å; F621-F633 AromaticContact CE2-CE1 3.86Å; F621-F633 HydrophobicContact CE2-CE1 3.86Å; F621-F633 AromaticContact CE2-CE2 3.85Å; F621-F633 HydrophobicContact CE2-CE2 3.85Å; F621-F633 AromaticContact CE2-CG 3.95Å; F621-F633 HydrophobicContact CE2-CG 3.95Å; F621-F633 AromaticContact CE2-CZ 3.84Å; F621-F633 HydrophobicContact CE2-CZ 3.84Å; F621-F633 HydrophobicContact CZ-CD2 4.45Å; F621-F633 HydrophobicContact CZ-CE2 4.2Å; F621-F633 HydrophobicContact CZ-CZ 4.4Å; C629-F633 HydrophobicContact CB-CB 4.23Å; P630-F633 WeakPolarHBondContact O-CB 3.4Å; P630-F633 PolarHBondContact O-N 3.45Å; F633-C656 HydrophobicContact CB-CB 3.99Å; F633-C656 WeakPolarHBondContact CD1-O 3.46Å; F633-L657 CarbonylContact C-O 3.2Å; F633-L657 VanDerWaalsContact CA-O 3.26Å; F633-L657 WeakPolarHBondContact CA-O 3.43Å; F633-P658 HydrophobicContact CD1-CB 4.08Å; F633-P658 HydrophobicContact CE1-CB 3.89Å; F633-P658 HydrophobicContact CE1-CG 4.48Å
634	V	86.1	Confident	74.5	Confident	23 Å²	23	78 Å²	78	14%	0.139	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	154	177.1	64.8	0	0	0	0	109.7	G636 L657 L669	V634-G636 PolarHBondContact O-N 3.23Å; V634-L657 PolarHBondContact N-O 2.92Å; V634-L657 PolarHBondContact O-N 3.49Å; V634-L669 HydrophobicContact CG1-CD2 3.4Å; V634-L669 VanDerWaalsContact CG1-CD2 3.4Å; V634-L669 HydrophobicContact CG1-CG 3.62Å
635	V	85.8	Confident	72.8	Confident	55 Å²	55	79.9 Å²	79.9	33%	0.333	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	127.6	179	-178.7	0	0	0	0	110.2	Y619 L654	Y619-V635 HydrophobicContact CD1-CB 4.46Å; Y619-V635 HydrophobicContact CD1-CG1 3.67Å; Y619-V635 HydrophobicContact CD1-CG2 3.93Å; Y619-V635 HydrophobicContact CD2-CG2 3.85Å; Y619-V635 HydrophobicContact CE1-CB 4.32Å; Y619-V635 HydrophobicContact CE1-CG1 3.51Å; Y619-V635 HydrophobicContact CE1-CG2 3.76Å; Y619-V635 HydrophobicContact CE2-CG2 3.68Å; Y619-V635 HydrophobicContact CG-CG1 4.44Å; Y619-V635 HydrophobicContact CG-CG2 3.97Å; V635-L654 HydrophobicContact CG1-CD2 4.2Å
636	G	82.6	Confident	70.8	Confident	9 Å²	9	85.8 Å²	85.8	9%	0.093	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	174.6	172.8	0	0	0	0	0	112.5	V634 L654 A655	V634-G636 PolarHBondContact O-N 3.23Å; G636-L654 WeakPolarHBondContact O-CA 3.34Å; G636-A655 PolarHBondContact N-O 2.96Å; G636-A655 PolarHBondContact O-N 2.87Å
637	T	82.1	Confident	69.1	Low	92 Å²	92	95.1 Å²	95.1	56%	0.564	53%	0.525	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.1	129.1	174.8	44.1	0	0	0	0	110.6	V653 L654	T637-V653 WeakPolarHBondContact CA-O 3.36Å; T637-L654 HydrophobicContact CG2-CD2 3.74Å
638	Q	77.3	Confident	67.2	Low	62 Å²	62	96.2 Å²	96.2	29%	0.29	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	143.6	171.8	65.4	175.1	7.1	0	0	110.8	S652 V653 A655 L657	Q638-S652 CarbonylContact O-C 3.49Å; Q638-S652 VanDerWaalsContact O-CA 3.25Å; Q638-S652 WeakPolarHBondContact O-CA 3.03Å; Q638-V653 HydrophobicContact CG-CG2 3.67Å; Q638-V653 PolarHBondContact N-O 3.02Å; Q638-V653 PolarHBondContact O-N 3.14Å; Q638-A655 VanDerWaalsContact CD-CB 3.47Å; Q638-A655 HydrophobicContact CG-CB 3.74Å; Q638-L657 HydrophobicContact CB-CD2 4.39Å
639	P	71.8	Confident	65.5	Low	92 Å²	92	97.1 Å²	97.1	60%	0.597	54%	0.54	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.6	132.6	176.6	29.6	-33.7	0	0	0	111.3	K641	P639-K641 PolarHBondContact O-N 3.29Å
640	L	66.4	Low	64	Low	58 Å²	58	101.4 Å²	101.4	30%	0.304	57%	0.567	S	S	.	*			trans	-67.3	117.5	170.5	-81.4	164	0	0	0	110.1	I612 Y642 A651 V653	I612-L640 HydrophobicContact CB-CD2 4.2Å; L640-Y642 PolarHBondContact O-N 2.82Å; L640-A651 WeakPolarHBondContact CB-O 3.2Å; L640-A651 HydrophobicContact CD1-CB 3.82Å; L640-A651 PolarHBondContact N-O 2.9Å; L640-V653 HydrophobicContact CD1-CG1 3.56Å; L640-V653 HydrophobicContact CD2-CG1 4.08Å; L640-V653 HydrophobicContact CD2-CG2 4.24Å; L640-V653 HydrophobicContact CG-CG1 3.73Å; L640-V653 HydrophobicContact CG-CG2 4.18Å
641	K	56.8	Low	63	Low	199 Å²	199	101.6 Å²	101.6	87%	0.865	57%	0.573	S	S	*	*			trans	-89.8	87.2	172.6	-71.3	-175.5	178.4	178.6	0	110.5	P639	P639-K641 PolarHBondContact O-N 3.29Å
642	Y	53.3	Low	62.8	Low	167 Å²	167	100.8 Å²	100.8	66%	0.655	56%	0.562	S	S	*	*			trans	-87.6	135.1	167.4	-126.5	-91.9	0	0	0	110.5	I612 L640 V644	I612-Y642 HydrophobicContact CD1-CE2 3.99Å; L640-Y642 PolarHBondContact O-N 2.82Å; Y642-V644 HydrophobicContact CD1-CB 4.21Å; Y642-V644 HydrophobicContact CD1-CG2 4.05Å; Y642-V644 HydrophobicContact CE1-CB 4.4Å; Y642-V644 HydrophobicContact CE1-CG2 3.97Å
643	A	49.3	Very low	62.8	Low	105 Å²	105	100.4 Å²	100.4	87%	0.868	56%	0.556	S	S	*	*			trans	-122.2	59	177.9	0	0	0	0	0	111
644	V	41.3	Very low	62.8	Low	117 Å²	117	101.3 Å²	101.3	71%	0.709	56%	0.564	S	S	*	*	S	Bend	trans	-133.7	140.4	168.1	-172.4	0	0	0	0	107.4	Y642	Y642-V644 HydrophobicContact CD1-CB 4.21Å; Y642-V644 HydrophobicContact CD1-CG2 4.05Å; Y642-V644 HydrophobicContact CE1-CB 4.4Å; Y642-V644 HydrophobicContact CE1-CG2 3.97Å
645	G	42.5	Very low	62.7	Low	67 Å²	67	100.3 Å²	100.3	69%	0.691	56%	0.558	S	S	*	*	S	Bend	trans	-68.7	159.8	-160.1	0	0	0	0	0	116.9
646	N	39.6	Very low	62.8	Low	151 Å²	151	98.1 Å²	98.1	81%	0.807	55%	0.545	S	S	*	.	S	Bend	trans	72.8	99.4	173.2	-63.2	-15.1	0	0	0	117.7
647	Y	46.6	Very low	63	Low	234 Å²	234	99.6 Å²	99.6	92%	0.918	55%	0.55	S	S	*	*			trans	35.6	92.5	152.2	-78.1	-86.5	0	0	0	118.7
648	I	42.3	Very low	63.2	Low	166 Å²	166	99.1 Å²	99.1	85%	0.851	55%	0.549	S	S	*	.			trans	-133.6	148.8	158.6	-57.5	-179.2	0	0	0	108.6
649	Q	46.1	Very low	63.5	Low	172 Å²	172	97 Å²	97	80%	0.804	54%	0.541	S	S	*	.			trans	-59.9	152.2	179.2	-73.5	177.4	-32.9	0	0	112.7	A651	Q649-A651 PolarHBondContact O-N 3.25Å
650	P	49.3	Very low	64	Low	123 Å²	123	94.2 Å²	94.2	80%	0.799	52%	0.523	S	S	*	.			trans	-69.3	93.4	176.2	29.4	-34.8	0	0	0	111.1
651	A	62	Low	64.5	Low	55 Å²	55	97.1 Å²	97.1	46%	0.455	55%	0.548	S	S	.	.			trans	-69.8	134.7	168.4	0	0	0	0	0	109.9	L640 Q649	L640-A651 WeakPolarHBondContact CB-O 3.2Å; L640-A651 HydrophobicContact CD1-CB 3.82Å; L640-A651 PolarHBondContact N-O 2.9Å; Q649-A651 PolarHBondContact O-N 3.25Å
652	S	72.7	Confident	65.5	Low	79 Å²	79	90.5 Å²	90.5	55%	0.552	53%	0.525	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.4	142.1	172.5	59.4	0	0	0	0	110	Q638	Q638-S652 CarbonylContact O-C 3.49Å; Q638-S652 VanDerWaalsContact O-CA 3.25Å; Q638-S652 WeakPolarHBondContact O-CA 3.03Å
653	V	79.8	Confident	66.7	Low	11 Å²	11	83.4 Å²	83.4	7%	0.067	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	149.2	178.4	-68.1	0	0	0	0	110.4	E613 T637 Q638 L640	E613-V653 HydrophobicContact CB-CG1 4.34Å; E613-V653 HydrophobicContact CG-CG1 4.06Å; T637-V653 WeakPolarHBondContact CA-O 3.36Å; Q638-V653 HydrophobicContact CG-CG2 3.67Å; Q638-V653 PolarHBondContact N-O 3.02Å; Q638-V653 PolarHBondContact O-N 3.14Å; L640-V653 HydrophobicContact CD1-CG1 3.56Å; L640-V653 HydrophobicContact CD2-CG1 4.08Å; L640-V653 HydrophobicContact CD2-CG2 4.24Å; L640-V653 HydrophobicContact CG-CG1 3.73Å; L640-V653 HydrophobicContact CG-CG2 4.18Å
654	L	84.3	Confident	68.3	Low	91 Å²	91	81.8 Å²	81.8	48%	0.476	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	124	175	-65	169.2	0	0	0	109.7	Y619 L620 V635 G636 T637	Y619-L654 HydrophobicContact CD1-CB 3.91Å; Y619-L654 HydrophobicContact CE1-CB 4.44Å; Y619-L654 HydrophobicContact CE1-CD1 4.4Å; L620-L654 PolarHBondContact N-O 3.42Å; V635-L654 HydrophobicContact CG1-CD2 4.2Å; G636-L654 WeakPolarHBondContact O-CA 3.34Å; T637-L654 HydrophobicContact CG2-CD2 3.74Å
655	A	85.8	Confident	70.3	Confident	2 Å²	2	78 Å²	78	2%	0.017	46%	0.456	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	155.3	-176.6	0	0	0	0	0	110.8	L620 G636 Q638 L657	L620-A655 HydrophobicContact CB-CB 4.04Å; L620-A655 CarbonylContact O-C 3.49Å; L620-A655 VanDerWaalsContact O-CA 3.31Å; L620-A655 WeakPolarHBondContact O-CA 3.29Å; G636-A655 PolarHBondContact N-O 2.96Å; G636-A655 PolarHBondContact O-N 2.87Å; Q638-A655 VanDerWaalsContact CD-CB 3.47Å; Q638-A655 HydrophobicContact CG-CB 3.74Å; A655-L657 HydrophobicContact CB-CD2 4.44Å; A655-L657 PolarHBondContact O-N 2.83Å
656	C	87.6	Confident	72.1	Confident	9 Å²	9	75.5 Å²	75.5	6%	0.061	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	102.7	170	-64.7	0	0	0	0	108.7	L620 F621 C629 F633	L620-C656 PolarHBondContact O-N 2.66Å; F621-C656 HydrophobicContact CB-CB 4.25Å; F621-C656 HydrophobicContact CD2-CB 3.81Å; F621-C656 HydrophobicContact CG-CB 4.43Å; C629-C656 WeakPolarHBondContact CA-SG 3.3Å; C629-C656 HydrophobicContact CB-CB 3.76Å; C629-C656 WeakPolarHBondContact CB-SG 3.31Å; C629-C656 WeakPolarHBondContact SG-CA 3.47Å; C629-C656 WeakPolarHBondContact SG-CB 3.41Å; C629-C656 CovalentContact SG-SG 2.04Å; C629-C656 PolarHBondContact SG-SG 3.01Å; F633-C656 HydrophobicContact CB-CB 3.99Å; F633-C656 WeakPolarHBondContact CD1-O 3.46Å
657	L	85.9	Confident	74.1	Confident	40 Å²	40	71.6 Å²	71.6	21%	0.209	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	142.2	180	-66.3	-176	0	0	0	110.3	F633 V634 Q638 A655 L669	F633-L657 CarbonylContact C-O 3.2Å; F633-L657 VanDerWaalsContact CA-O 3.26Å; F633-L657 WeakPolarHBondContact CA-O 3.43Å; V634-L657 PolarHBondContact N-O 2.92Å; V634-L657 PolarHBondContact O-N 3.49Å; Q638-L657 HydrophobicContact CB-CD2 4.39Å; A655-L657 HydrophobicContact CB-CD2 4.44Å; A655-L657 PolarHBondContact O-N 2.83Å; L657-L669 HydrophobicContact CB-CD1 4.17Å; L657-L669 HydrophobicContact CB-CD2 3.93Å; L657-L669 HydrophobicContact CD1-CD1 3.84Å
658	P	86.8	Confident	75.7	Confident	82 Å²	82	62.3 Å²	62.3	53%	0.532	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	147.3	-177.7	27.8	-35	0	0	0	111.2	G632 F633	G632-P658 WeakPolarHBondContact O-CA 3.33Å; F633-P658 HydrophobicContact CD1-CB 4.08Å; F633-P658 HydrophobicContact CE1-CB 3.89Å; F633-P658 HydrophobicContact CE1-CG 4.48Å
659	C	84.2	Confident	77.4	Confident	17 Å²	17	57.5 Å²	57.5	12%	0.115	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-59.5	146.6	177.3	-75.1	0	0	0	0	112.5	G632 S661 C663 C666	G632-C659 PolarHBondContact O-N 2.97Å; C659-S661 PolarHBondContact O-N 3.39Å; C659-C663 HydrophobicContact CB-CB 4.27Å; C659-C666 WeakPolarHBondContact CA-SG 3.45Å; C659-C666 HydrophobicContact CB-CB 3.8Å; C659-C666 WeakPolarHBondContact CB-SG 3.49Å; C659-C666 WeakPolarHBondContact SG-CB 3.4Å; C659-C666 PolarHBondContact SG-N 3.16Å; C659-C666 CovalentContact SG-SG 2.04Å; C659-C666 PolarHBondContact SG-SG 2.89Å
660	P	81.9	Confident	78.7	Confident	34 Å²	34	52.1 Å²	52.1	22%	0.221	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-62.9	126.2	178.9	-20.7	32.2	0	0	0	111.7	C663 L669	P660-C663 WeakPolarHBondContact O-CB 3.15Å; P660-C663 PolarHBondContact O-N 3.05Å; P660-L669 WeakPolarHBondContact CG-O 3.32Å
661	S	76.7	Confident	79.3	Confident	119 Å²	119	50.4 Å²	50.4	83%	0.832	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	129.5	171.6	180	0	0	0	0	110.2	C659	C659-S661 PolarHBondContact O-N 3.39Å
662	P	76.8	Confident	79.7	Confident	60 Å²	60	50.9 Å²	50.9	39%	0.39	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	cis	-94.9	7.1	20.7	-4.1	25	0	0	0	116.6	P678 C690	P662-P678 WeakPolarHBondContact O-CD 3.39Å; P662-P678 WeakPolarHBondContact O-CG 3.37Å; P662-C690 HydrophobicContact CB-CB 3.99Å; P662-C690 HydrophobicContact CG-CB 4.06Å
663	C	79.2	Confident	79.9	Confident	17 Å²	17	51.9 Å²	51.9	12%	0.115	32%	0.32	C	S	.	.			trans	-67.2	140.8	-170.2	-61.4	0	0	0	0	114.3	C659 P660 C674	C659-C663 HydrophobicContact CB-CB 4.27Å; P660-C663 WeakPolarHBondContact O-CB 3.15Å; P660-C663 PolarHBondContact O-N 3.05Å; C663-C674 WeakPolarHBondContact CA-SG 3.46Å; C663-C674 HydrophobicContact CB-CB 4.23Å; C663-C674 WeakPolarHBondContact CB-SG 3.42Å; C663-C674 WeakPolarHBondContact SG-CB 3.39Å; C663-C674 CovalentContact SG-SG 2.03Å; C663-C674 PolarHBondContact SG-SG 2.84Å
664	V	83.1	Confident	80	Confident	72 Å²	72	51.7 Å²	51.7	44%	0.436	32%	0.32	S	S	.	.	S	Bend	trans	-89	-41.6	171.5	176.6	0	0	0	0	110.5	G632 T676 P678	G632-V664 VanDerWaalsContact CA-O 3.29Å; G632-V664 WeakPolarHBondContact CA-O 3.08Å; V664-T676 WeakPolarHBondContact CB-OG1 3.22Å; V664-T676 PolarHBondContact N-O 2.63Å; V664-P678 HydrophobicContact CG2-CB 4.05Å; V664-P678 HydrophobicContact CG2-CG 3.79Å
665	T	82.4	Confident	79.9	Confident	38 Å²	38	52.1 Å²	52.1	23%	0.233	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	154.7	165.8	68.1	0	0	0	0	110.9	L675 T676	T665-L675 PolarHBondContact O-N 3.47Å; T665-L675 WeakPolarHBondContact OG1-CB 3.29Å; T665-T676 PolarHBondContact N-OG1 3.21Å; T665-T676 VanDerWaalsContact N-OG1 3.11Å; T665-T676 PolarHBondContact O-N 3.23Å; T665-T676 PolarHBondContact OG1-OG1 3.37Å
666	C	81	Confident	79.7	Confident	14 Å²	14	54.9 Å²	54.9	10%	0.095	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	152.3	-173.8	64.8	0	0	0	0	110.2	C659 S668 F673	C659-C666 WeakPolarHBondContact CA-SG 3.45Å; C659-C666 HydrophobicContact CB-CB 3.8Å; C659-C666 WeakPolarHBondContact CB-SG 3.49Å; C659-C666 WeakPolarHBondContact SG-CB 3.4Å; C659-C666 PolarHBondContact SG-N 3.16Å; C659-C666 CovalentContact SG-SG 2.04Å; C659-C666 PolarHBondContact SG-SG 2.89Å; C666-S668 PolarHBondContact SG-O 3.01Å; C666-F673 CarbonylContact C-O 3.56Å; C666-F673 VanDerWaalsContact CA-O 3.25Å; C666-F673 WeakPolarHBondContact CA-O 3Å; C666-F673 WeakPolarHBondContact CB-O 2.96Å
667	S	81.2	Confident	79.5	Confident	68 Å²	68	55.8 Å²	55.8	48%	0.476	35%	0.345	S	S	.	.	S	Bend	trans	-94.5	-8.6	173	56.1	0	0	0	0	113.3	F673	S667-F673 PolarHBondContact N-O 3.17Å
668	S	79.8	Confident	79.2	Confident	40 Å²	40	56.2 Å²	56.2	28%	0.28	35%	0.35	S	S	.	.	S	Bend	trans	-157.2	161.1	178.6	179.5	0	0	0	0	110.8	C666 S670	C666-S668 PolarHBondContact SG-O 3.01Å; S668-S670 PolarHBondContact O-N 3.43Å; S668-S670 PolarHBondContact OG-N 2.88Å
669	L	79.1	Confident	78.2	Confident	65 Å²	65	59.3 Å²	59.3	34%	0.34	36%	0.362	S	S	.	.	S	Bend	trans	-74.4	-7.4	172.3	-65.8	171.6	0	0	0	113.5	V634 L657 P660	V634-L669 HydrophobicContact CG1-CD2 3.4Å; V634-L669 VanDerWaalsContact CG1-CD2 3.4Å; V634-L669 HydrophobicContact CG1-CG 3.62Å; L657-L669 HydrophobicContact CB-CD1 4.17Å; L657-L669 HydrophobicContact CB-CD2 3.93Å; L657-L669 HydrophobicContact CD1-CD1 3.84Å; P660-L669 WeakPolarHBondContact CG-O 3.32Å
670	S	73.9	Confident	77.6	Confident	58 Å²	58	66.1 Å²	66.1	41%	0.406	39%	0.392	S	S	.	.	S	Bend	trans	-74.8	132.7	173.1	-74.2	0	0	0	0	110.4	S668 P672 F673	S668-S670 PolarHBondContact O-N 3.43Å; S668-S670 PolarHBondContact OG-N 2.88Å; S670-P672 VanDerWaalsContact O-N 3.16Å; S670-F673 PolarHBondContact O-N 3.06Å
671	P	61.4	Low	77.4	Confident	87 Å²	87	65.9 Å²	65.9	57%	0.565	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-37.7	-176.5	-29.2	35	0	0	0	118	F673	P671-F673 PolarHBondContact O-N 3.43Å; P671-F673 VanDerWaalsContact O-N 3.17Å
672	P	70.5	Confident	77.6	Confident	65 Å²	65	63 Å²	63	42%	0.422	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	20.1	-177.2	34.7	-38	0	0	0	114.7	S670 S687 G688	S670-P672 VanDerWaalsContact O-N 3.16Å; P672-S687 WeakPolarHBondContact CA-O 2.93Å; P672-S687 WeakPolarHBondContact CB-O 3.5Å; P672-G688 CarbonylContact C-O 3.59Å; P672-G688 VanDerWaalsContact C-O 3.25Å; P672-G688 WeakPolarHBondContact CA-O 3.45Å; P672-G688 WeakPolarHBondContact O-CA 3.26Å
673	F	76.8	Confident	77.8	Confident	100 Å²	100	63.3 Å²	63.3	44%	0.439	37%	0.369	S	S	.	.			trans	-119.2	36.2	-177.9	-67.9	-85	0	0	0	112.6	C666 S667 S670 P671	C666-F673 CarbonylContact C-O 3.56Å; C666-F673 VanDerWaalsContact CA-O 3.25Å; C666-F673 WeakPolarHBondContact CA-O 3Å; C666-F673 WeakPolarHBondContact CB-O 2.96Å; S667-F673 PolarHBondContact N-O 3.17Å; S670-F673 PolarHBondContact O-N 3.06Å; P671-F673 PolarHBondContact O-N 3.43Å; P671-F673 VanDerWaalsContact O-N 3.17Å
674	C	81.4	Confident	77.8	Confident	8 Å²	8	64.7 Å²	64.7	5%	0.054	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	134.4	176.5	-150.3	0	0	0	0	111.2	C663 L683 G688 C690	C663-C674 WeakPolarHBondContact CA-SG 3.46Å; C663-C674 HydrophobicContact CB-CB 4.23Å; C663-C674 WeakPolarHBondContact CB-SG 3.42Å; C663-C674 WeakPolarHBondContact SG-CB 3.39Å; C663-C674 CovalentContact SG-SG 2.03Å; C663-C674 PolarHBondContact SG-SG 2.84Å; C674-L683 HydrophobicContact CB-CD1 3.7Å; C674-G688 WeakPolarHBondContact CB-O 3.03Å; C674-G688 PolarHBondContact N-O 3.32Å; C674-C690 PolarHBondContact SG-SG 2.65Å
675	L	81.4	Confident	77.2	Confident	99 Å²	99	70.1 Å²	70.1	52%	0.518	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	-37.4	178.4	-65.6	176.7	0	0	0	112.1	T665	T665-L675 PolarHBondContact O-N 3.47Å; T665-L675 WeakPolarHBondContact OG1-CB 3.29Å
676	T	81.9	Confident	76.7	Confident	61 Å²	61	76.1 Å²	76.1	37%	0.374	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	148.5	174.2	63.8	0	0	0	0	111.9	V664 T665	V664-T676 WeakPolarHBondContact CB-OG1 3.22Å; V664-T676 PolarHBondContact N-O 2.63Å; T665-T676 PolarHBondContact N-OG1 3.21Å; T665-T676 VanDerWaalsContact N-OG1 3.11Å; T665-T676 PolarHBondContact O-N 3.23Å; T665-T676 PolarHBondContact OG1-OG1 3.37Å
677	C	83.1	Confident	76.2	Confident	28 Å²	28	77.7 Å²	77.7	19%	0.189	44%	0.435	C	S	.	.			trans	-110.2	157.8	180	-66.5	0	0	0	0	111.6	C690	C677-C690 WeakPolarHBondContact CA-SG 3.02Å; C677-C690 HydrophobicContact CB-CB 3.91Å; C677-C690 WeakPolarHBondContact CB-SG 3.09Å; C677-C690 WeakPolarHBondContact SG-CA 3.2Å; C677-C690 WeakPolarHBondContact SG-CB 3.49Å; C677-C690 CovalentContact SG-SG 2.03Å; C677-C690 PolarHBondContact SG-SG 2.88Å
678	P	80.8	Confident	75.8	Confident	48 Å²	48	75.1 Å²	75.1	31%	0.312	42%	0.42	S	S	.	.			trans	-70.6	159.7	174.6	-10.4	26.4	0	0	0	110.9	P662 V664 H680 S681	P662-P678 WeakPolarHBondContact O-CD 3.39Å; P662-P678 WeakPolarHBondContact O-CG 3.37Å; V664-P678 HydrophobicContact CG2-CB 4.05Å; V664-P678 HydrophobicContact CG2-CG 3.79Å; P678-H680 PolarHBondContact O-N 3.11Å; P678-S681 PolarHBondContact O-N 3.27Å
679	D	66.5	Low	75.8	Confident	147 Å²	147	75.2 Å²	75.2	79%	0.786	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.6	136.9	170.3	-63.8	-47.7	0	0	0	111.1
680	H	70.6	Confident	75.9	Confident	160 Å²	160	72.8 Å²	72.8	74%	0.741	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.1	12.4	-173	-39.1	-68.4	0	0	0	116.9	P678 L693	P678-H680 PolarHBondContact O-N 3.11Å; H680-L693 PolarHBondContact O-N 2.92Å
681	S	77.8	Confident	76.1	Confident	29 Å²	29	74.4 Å²	74.4	20%	0.203	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	146.1	167.6	-52.8	0	0	0	0	111.7	P678 L691	P678-S681 PolarHBondContact O-N 3.27Å; S681-L691 CarbonylContact C-O 3.07Å; S681-L691 VanDerWaalsContact CA-O 3.26Å; S681-L691 WeakPolarHBondContact CA-O 3.45Å; S681-L691 WeakPolarHBondContact CB-O 3.25Å
682	S	80.1	Confident	76.5	Confident	59 Å²	59	80.5 Å²	80.5	41%	0.413	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	139.6	176.7	57	0	0	0	0	111.2	D684 L691	S682-D684 PolarHBondContact O-N 2.03Å; S682-L691 PolarHBondContact N-O 2.89Å; S682-L691 PolarHBondContact O-N 2.86Å
683	L	81.4	Confident	76	Confident	67 Å²	67	83 Å²	83	35%	0.351	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	119.4	172.6	-177.9	64.2	0	0	0	109.8	C674 Q685	C674-L683 HydrophobicContact CB-CD1 3.7Å; L683-Q685 PolarHBondContact O-N 2.03Å
684	D	79.6	Confident	74.5	Confident	45 Å²	45	84.9 Å²	84.9	24%	0.241	45%	0.447	C	S	.	.			trans	-77.3	117.3	167.1	171.2	26.7	0	0	0	109.6	S682 I686 S687 G688 T689 L691	S682-D684 PolarHBondContact O-N 2.03Å; D684-I686 PolarHBondContact O-N 2.95Å; D684-I686 PolarHBondContact OD1-N 2.9Å; D684-S687 WeakPolarHBondContact OD2-CB 3.42Å; D684-S687 PolarHBondContact OD2-N 2.84Å; D684-S687 PolarHBondContact OD2-OG 3.31Å; D684-G688 VanDerWaalsContact O-CA 3.28Å; D684-G688 WeakPolarHBondContact O-CA 3.46Å; D684-G688 PolarHBondContact O-N 3.46Å; D684-T689 PolarHBondContact N-O 2.97Å; D684-L691 HydrophobicContact CB-CD1 3.82Å; D684-L691 HydrophobicContact CB-CG 4.1Å
685	Q	71.4	Confident	72.8	Confident	187 Å²	187	94.1 Å²	94.1	87%	0.874	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-15.6	-179.5	-66.8	-176.4	-16.8	0	0	113.5	L683	L683-Q685 PolarHBondContact O-N 2.03Å
686	I	70.6	Confident	70.9	Confident	164 Å²	164	94.5 Å²	94.5	84%	0.841	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-49.1	-179	-57.8	177.7	0	0	0	111.3	D684	D684-I686 PolarHBondContact O-N 2.95Å; D684-I686 PolarHBondContact OD1-N 2.9Å
687	S	71.6	Confident	68.7	Low	46 Å²	46	100.4 Å²	100.4	32%	0.322	53%	0.525	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-14.8	176.9	67.2	0	0	0	0	114.3	P672 D684 T689	P672-S687 WeakPolarHBondContact CA-O 2.93Å; P672-S687 WeakPolarHBondContact CB-O 3.5Å; D684-S687 WeakPolarHBondContact OD2-CB 3.42Å; D684-S687 PolarHBondContact OD2-N 2.84Å; D684-S687 PolarHBondContact OD2-OG 3.31Å; S687-T689 PolarHBondContact O-N 2.91Å; S687-T689 PolarHBondContact OG-OG1 3.19Å
688	G	72.9	Confident	66.4	Low	15 Å²	15	111.1 Å²	111.1	16%	0.155	56%	0.561	C	S	.	*			trans	66.3	24.2	-176.1	0	0	0	0	0	113.7	P672 C674 D684	P672-G688 CarbonylContact C-O 3.59Å; P672-G688 VanDerWaalsContact C-O 3.25Å; P672-G688 WeakPolarHBondContact CA-O 3.45Å; P672-G688 WeakPolarHBondContact O-CA 3.26Å; C674-G688 WeakPolarHBondContact CB-O 3.03Å; C674-G688 PolarHBondContact N-O 3.32Å; D684-G688 VanDerWaalsContact O-CA 3.28Å; D684-G688 WeakPolarHBondContact O-CA 3.46Å; D684-G688 PolarHBondContact O-N 3.46Å
689	T	78.2	Confident	64.1	Low	42 Å²	42	118 Å²	118	26%	0.258	59%	0.589	S	S	.	*	S	Bend	trans	-121.3	157.7	-177.7	67.7	0	0	0	0	112.4	D684 S687	D684-T689 PolarHBondContact N-O 2.97Å; S687-T689 PolarHBondContact O-N 2.91Å; S687-T689 PolarHBondContact OG-OG1 3.19Å
690	C	81.8	Confident	62.5	Low	14 Å²	14	116.3 Å²	116.3	10%	0.095	59%	0.589	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.9	119.3	174.7	-62.3	0	0	0	0	111.8	P662 C674 C677	P662-C690 HydrophobicContact CB-CB 3.99Å; P662-C690 HydrophobicContact CG-CB 4.06Å; C674-C690 PolarHBondContact SG-SG 2.65Å; C677-C690 WeakPolarHBondContact CA-SG 3.02Å; C677-C690 HydrophobicContact CB-CB 3.91Å; C677-C690 WeakPolarHBondContact CB-SG 3.09Å; C677-C690 WeakPolarHBondContact SG-CA 3.2Å; C677-C690 WeakPolarHBondContact SG-CB 3.49Å; C677-C690 CovalentContact SG-SG 2.03Å; C677-C690 PolarHBondContact SG-SG 2.88Å
691	L	78.9	Confident	60.9	Low	92 Å²	92	115.3 Å²	115.3	48%	0.482	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.5	135	172.6	-62.6	179.8	0	0	0	110.8	S681 S682 D684	S681-L691 CarbonylContact C-O 3.07Å; S681-L691 VanDerWaalsContact CA-O 3.26Å; S681-L691 WeakPolarHBondContact CA-O 3.45Å; S681-L691 WeakPolarHBondContact CB-O 3.25Å; S682-L691 PolarHBondContact N-O 2.89Å; S682-L691 PolarHBondContact O-N 2.86Å; D684-L691 HydrophobicContact CB-CD1 3.82Å; D684-L691 HydrophobicContact CB-CG 4.1Å
692	R	68.9	Low	58.6	Low	214 Å²	214	117.3 Å²	117.3	81%	0.808	62%	0.622	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-84.9	129.9	-177.7	-154.2	-178.6	-163.7	-174.2	5.3	110.6	N694	R692-N694 PolarHBondContact O-N 2.75Å
693	L	60.2	Low	56.4	Low	117 Å²	117	118.8 Å²	118.8	61%	0.613	64%	0.638	S	S	*	*			trans	-74.1	114.7	179.2	-73.8	162	0	0	0	111.2	H680	H680-L693 PolarHBondContact O-N 2.92Å
694	N	46.6	Very low	53.9	Low	141 Å²	141	123.5 Å²	123.5	75%	0.754	66%	0.656	S	S	*	*			trans	-78.5	139.3	172.3	-89.8	-18.4	0	0	0	111.4	R692 S696	R692-N694 PolarHBondContact O-N 2.75Å; N694-S696 PolarHBondContact O-N 2.77Å
695	H	45.3	Very low	51.4	Low	202 Å²	202	130.2 Å²	130.2	94%	0.935	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	26.3	-160	-132.7	-84.9	0	0	0	115.8
696	S	40.6	Very low	49.7	Very low	106 Å²	106	128.6 Å²	128.6	74%	0.741	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.9	9.6	-167.7	64	0	0	0	0	116	N694	N694-S696 PolarHBondContact O-N 2.77Å
697	M	35.5	Very low	47.6	Very low	186 Å²	186	127.7 Å²	127.7	92%	0.916	67%	0.673	S	S	*	*			trans	-132.9	98.7	169.7	-76.2	-172	166	0	0	110.7
698	R	36.1	Very low	45.5	Very low	252 Å²	252	134.1 Å²	134.1	95%	0.951	69%	0.69	S	S	*	*			trans	-134.5	62.5	169.3	-154	-179.1	-161.4	-177.5	6.6	109.6
699	E	31.7	Very low	43.4	Very low	193 Å²	193	142.4 Å²	142.4	90%	0.902	72%	0.722	S	S	*	*			trans	-94.8	145.7	161	-74.1	-167.8	138.4	0	0	109.9
700	S	32.3	Very low	41.8	Very low	112 Å²	112	145.6 Å²	145.6	78%	0.783	74%	0.743	S	S	*	*			trans	-64.8	154.4	175.8	-62.8	0	0	0	0	111.3	G702	S700-G702 PolarHBondContact O-N 2.73Å
701	P	36.9	Very low	39.1	Very low	138 Å²	138	155.9 Å²	155.9	90%	0.896	78%	0.78	S	S	*	*			trans	-67.7	108.6	-166.5	26	-35.1	0	0	0	113.1
702	G	29.6	Very low	36.7	Very low	72 Å²	72	159.5 Å²	159.5	74%	0.742	79%	0.792	S	S	*	*			trans	-111.8	126.3	159.1	0	0	0	0	0	109.2	S700	S700-G702 PolarHBondContact O-N 2.73Å
703	A	33.8	Very low	35.2	Very low	89 Å²	89	158.7 Å²	158.7	74%	0.736	80%	0.795	S	S	*	*			trans	-69.2	147.5	-178.5	0	0	0	0	0	112.3
704	F	30.4	Very low	33.9	Very low	167 Å²	167	164.7 Å²	164.7	73%	0.732	81%	0.809	S	S	*	*				159.3	131.8	117.4	-100.4	-87.2	0	0	0	110.9	E706	F704-E706 HydrophobicContact CD1-CB 4.3Å; F704-E706 HydrophobicContact CE1-CB 4.34Å
705	M	26.8	Very low	33.5	Very low	186 Å²	186	165.5 Å²	165.5	92%	0.916	81%	0.814	S	S	*	*				-155	130.4	109.7	-105.3	-166.9	75.6	0	0	111
706	E	34.4	Very low	33.4	Very low	153 Å²	153	159.9 Å²	159.9	72%	0.715	80%	0.797	S	S	*	*			trans	-106.5	148.3	179.8	180	176.9	-151.2	0	0	107.8	F704	F704-E706 HydrophobicContact CD1-CB 4.3Å; F704-E706 HydrophobicContact CE1-CB 4.34Å
707	E	26.3	Very low	34.1	Very low	144 Å²	144	161.9 Å²	161.9	67%	0.673	79%	0.794	S	S	*	*			trans	-104	122.3	177.3	-123.9	-150	167.2	0	0	113
708	R	28.6	Very low	34.7	Very low	182 Å²	182	158.4 Å²	158.4	69%	0.687	78%	0.779	S	S	*	*			trans	90.8	106.8	151.1	-58.2	-177.6	-163.8	-133.3	-14.5	120.8
709	K	28.1	Very low	35.3	Very low	189 Å²	189	150.8 Å²	150.8	82%	0.822	76%	0.762	S	S	*	*				99.7	151.6	119.7	-79.9	-169.7	174.1	-175.8	0	118.5
710	P	44.8	Very low	36.4	Very low	109 Å²	109	147.1 Å²	147.1	71%	0.708	75%	0.748	S	S	*	*			trans	-128.8	149.9	-132.8	39.8	-25.5	0	0	0	115.6
711	W	26	Very low	37.6	Very low	229 Å²	229	144.8 Å²	144.8	87%	0.867	73%	0.729	S	S	*	*			trans	-164.1	143.5	141.3	-124.6	48.7	0	0	0	113.9
712	F	28.4	Very low	38.8	Very low	168 Å²	168	142 Å²	142	74%	0.737	71%	0.709	S	S	*	*			trans	48	124.3	159.9	-86.6	-106.7	0	0	0	122.7
713	K	37.8	Very low	40.2	Very low	198 Å²	198	141.4 Å²	141.4	86%	0.861	70%	0.697	S	S	*	*			trans	-62	136.3	167.6	-76.5	178.1	168.2	-179.4	0	113.3
714	R	32.6	Very low	41.9	Very low	242 Å²	242	141.3 Å²	141.3	91%	0.913	69%	0.687	S	S	*	*			trans	-157.8	102.8	138.4	-137.3	176	-171.2	172	2.8	110.7	S716	R714-S716 PolarHBondContact O-N 2.9Å
715	D	38.4	Very low	43.4	Very low	159 Å²	159	139.1 Å²	139.1	85%	0.85	68%	0.683	S	S	*	*			trans	-63.2	129.2	172.7	-73.7	-54.1	0	0	0	110.4
716	S	42.5	Very low	45.2	Very low	84 Å²	84	133 Å²	133	59%	0.587	66%	0.658	S	S	*	*			trans	-122.8	98.2	-178.3	-174	0	0	0	0	109.8	R714 L718 P719	R714-S716 PolarHBondContact O-N 2.9Å; S716-L718 PolarHBondContact O-N 2.83Å; S716-P719 WeakPolarHBondContact O-CD 3.34Å
717	Q	54.4	Low	46.4	Very low	147 Å²	147	129.3 Å²	129.3	69%	0.687	65%	0.648	S	S	*	*			trans	-74.9	20.6	174.8	-69.8	-160.1	-13.9	0	0	113.8	T721	Q717-T721 PolarHBondContact O-N 3.18Å; Q717-T721 VanDerWaalsContact O-N 3.15Å; Q717-T721 PolarHBondContact O-OG1 3.38Å
718	L	48	Very low	48.4	Very low	113 Å²	113	127.8 Å²	127.8	59%	0.592	64%	0.643	S	S	*	*	H	α-helix	trans	-57.3	-43.6	-179.6	-137.9	77.9	0	0	0	113.9	S716 I720 T721 V722	S716-L718 PolarHBondContact O-N 2.83Å; L718-I720 PolarHBondContact O-N 2.98Å; L718-T721 WeakPolarHBondContact CA-OG1 3.01Å; L718-T721 PolarHBondContact O-N 3.19Å; L718-T721 PolarHBondContact O-OG1 3.17Å; L718-V722 HydrophobicContact CG-CG2 4.46Å; L718-V722 VanDerWaalsContact O-CB 3.3Å; L718-V722 WeakPolarHBondContact O-CB 3.05Å; L718-V722 WeakPolarHBondContact O-CG2 3.44Å; L718-V722 PolarHBondContact O-N 2.87Å
719	P	49.2	Very low	50.2	Low	93 Å²	93	121.4 Å²	121.4	60%	0.604	63%	0.629	S	S	*	*	H	α-helix	trans	-64.9	-42.1	-175.3	-22.1	33.5	0	0	0	112.9	S716 A723	S716-P719 WeakPolarHBondContact O-CD 3.34Å; P719-A723 WeakPolarHBondContact O-CB 3.13Å; P719-A723 PolarHBondContact O-N 2.91Å
720	I	55.6	Low	52.5	Low	116 Å²	116	117.2 Å²	117.2	60%	0.595	61%	0.614	S	S	*	*	H	α-helix	trans	-72.5	-42.5	-178.1	-59.7	173.1	0	0	0	110.4	L718 A723 V724	L718-I720 PolarHBondContact O-N 2.98Å; I720-A723 PolarHBondContact O-N 2.04Å; I720-V724 WeakPolarHBondContact O-CG2 3.48Å; I720-V724 PolarHBondContact O-N 3.49Å
721	T	56.4	Low	53.9	Low	62 Å²	62	117 Å²	117	38%	0.38	61%	0.607	S	S	.	*	H	α-helix	trans	-66.4	-39.5	176.5	46.9	0	0	0	0	112.1	Q717 L718 L725	Q717-T721 PolarHBondContact O-N 3.18Å; Q717-T721 VanDerWaalsContact O-N 3.15Å; Q717-T721 PolarHBondContact O-OG1 3.38Å; L718-T721 WeakPolarHBondContact CA-OG1 3.01Å; L718-T721 PolarHBondContact O-N 3.19Å; L718-T721 PolarHBondContact O-OG1 3.17Å; T721-L725 VanDerWaalsContact O-CB 3.28Å; T721-L725 WeakPolarHBondContact O-CB 3.28Å; T721-L725 WeakPolarHBondContact O-CD1 3.24Å; T721-L725 WeakPolarHBondContact O-CG 3.36Å; T721-L725 PolarHBondContact O-N 2.87Å
722	V	63.8	Low	56.2	Low	79 Å²	79	110.3 Å²	110.3	48%	0.479	59%	0.591	S	S	.	*	H	α-helix	trans	-63	-45.8	173.3	169.9	0	0	0	0	111.2	L718 V724 L725 S726	L718-V722 HydrophobicContact CG-CG2 4.46Å; L718-V722 VanDerWaalsContact O-CB 3.3Å; L718-V722 WeakPolarHBondContact O-CB 3.05Å; L718-V722 WeakPolarHBondContact O-CG2 3.44Å; L718-V722 PolarHBondContact O-N 2.87Å; V722-V724 PolarHBondContact O-N 2.85Å; V722-L725 PolarHBondContact O-N 3.26Å; V722-S726 WeakPolarHBondContact O-CB 3.35Å; V722-S726 PolarHBondContact O-N 3.05Å; V722-S726 PolarHBondContact O-OG 2.56Å; V722-S726 VanDerWaalsContact O-OG 3.06Å
723	A	58.3	Low	58.3	Low	61 Å²	61	106.3 Å²	106.3	50%	0.504	58%	0.58	S	S	.	*	H	α-helix	trans	-60.7	-44.8	178	0	0	0	0	0	112.8	P719 I720 S726 C727	P719-A723 WeakPolarHBondContact O-CB 3.13Å; P719-A723 PolarHBondContact O-N 2.91Å; I720-A723 PolarHBondContact O-N 2.04Å; A723-S726 PolarHBondContact O-N 2.81Å; A723-C727 PolarHBondContact O-N 3.15Å
724	V	68.6	Low	60	Low	87 Å²	87	104.4 Å²	104.4	53%	0.527	57%	0.572	S	S	.	*	H	α-helix	trans	-66.5	-42.3	177.7	173	0	0	0	0	111.4	I720 V722 C727 M728	I720-V724 WeakPolarHBondContact O-CG2 3.48Å; I720-V724 PolarHBondContact O-N 3.49Å; V722-V724 PolarHBondContact O-N 2.85Å; V724-C727 PolarHBondContact O-N 2.96Å; V724-M728 VanDerWaalsContact O-CG 3.3Å; V724-M728 WeakPolarHBondContact O-CG 3.41Å; V724-M728 PolarHBondContact O-N 3.49Å
725	L	62.3	Low	61.9	Low	120 Å²	120	95.4 Å²	95.4	63%	0.628	55%	0.549	S	S	*	.	H	α-helix	trans	-66	-38.3	176.7	-72.3	169.6	0	0	0	112.1	T721 V722 M728 A729	T721-L725 VanDerWaalsContact O-CB 3.28Å; T721-L725 WeakPolarHBondContact O-CB 3.28Å; T721-L725 WeakPolarHBondContact O-CD1 3.24Å; T721-L725 WeakPolarHBondContact O-CG 3.36Å; T721-L725 PolarHBondContact O-N 2.87Å; V722-L725 PolarHBondContact O-N 3.26Å; L725-M728 PolarHBondContact O-N 3.27Å; L725-A729 VanDerWaalsContact O-CB 3.31Å; L725-A729 WeakPolarHBondContact O-CB 3.48Å; L725-A729 PolarHBondContact O-N 3.48Å
726	S	64.9	Low	63.8	Low	58 Å²	58	89.6 Å²	89.6	41%	0.406	53%	0.528	S	S	.	.	H	α-helix	trans	-63.1	-43.3	173.2	-67.6	0	0	0	0	111.9	V722 A723 A729 I730	V722-S726 WeakPolarHBondContact O-CB 3.35Å; V722-S726 PolarHBondContact O-N 3.05Å; V722-S726 PolarHBondContact O-OG 2.56Å; V722-S726 VanDerWaalsContact O-OG 3.06Å; A723-S726 PolarHBondContact O-N 2.81Å; S726-A729 PolarHBondContact O-N 3.09Å; S726-I730 VanDerWaalsContact O-CG1 3.3Å; S726-I730 WeakPolarHBondContact O-CG1 3.37Å; S726-I730 PolarHBondContact O-N 2.8Å
727	C	60.1	Low	65.3	Low	75 Å²	75	89.7 Å²	89.7	51%	0.507	52%	0.524	S	S	.	.	H	α-helix	trans	-63.9	-42.7	177.3	-135.3	0	0	0	0	111.7	A723 V724 A729 I730 I731	A723-C727 PolarHBondContact O-N 3.15Å; V724-C727 PolarHBondContact O-N 2.96Å; C727-A729 PolarHBondContact O-N 2.86Å; C727-I730 PolarHBondContact O-N 2.88Å; C727-I731 WeakPolarHBondContact O-CG1 3.31Å; C727-I731 PolarHBondContact O-N 2.88Å
728	M	67.7	Low	66	Low	112 Å²	112	88.9 Å²	88.9	55%	0.552	52%	0.519	S	S	*	.	H	α-helix	trans	-65	-37.2	174.1	-68.2	-68	-76.9	0	0	112.2	V724 L725 I731 T732	V724-M728 VanDerWaalsContact O-CG 3.3Å; V724-M728 WeakPolarHBondContact O-CG 3.41Å; V724-M728 PolarHBondContact O-N 3.49Å; L725-M728 PolarHBondContact O-N 3.27Å; M728-I731 PolarHBondContact O-N 3.26Å; M728-T732 WeakPolarHBondContact O-CB 3Å; M728-T732 WeakPolarHBondContact O-CG2 3.46Å; M728-T732 PolarHBondContact O-N 3.36Å; M728-T732 PolarHBondContact O-OG1 2.89Å
729	A	66.8	Low	66.9	Low	49 Å²	49	88.6 Å²	88.6	41%	0.405	52%	0.517	S	S	.	.	H	α-helix	trans	-65.5	-40.8	175	0	0	0	0	0	112	L725 S726 C727 T732 T733	L725-A729 VanDerWaalsContact O-CB 3.31Å; L725-A729 WeakPolarHBondContact O-CB 3.48Å; L725-A729 PolarHBondContact O-N 3.48Å; S726-A729 PolarHBondContact O-N 3.09Å; C727-A729 PolarHBondContact O-N 2.86Å; A729-T732 WeakPolarHBondContact CA-OG1 3.27Å; A729-T732 PolarHBondContact O-OG1 3.2Å; A729-T732 VanDerWaalsContact O-OG1 3.1Å; A729-T733 WeakPolarHBondContact O-CB 3.34Å; A729-T733 WeakPolarHBondContact O-CG2 3.49Å; A729-T733 PolarHBondContact O-N 3.34Å; A729-T733 PolarHBondContact O-OG1 3.24Å
730	I	75.1	Confident	67.7	Low	100 Å²	100	90 Å²	90	51%	0.513	52%	0.517	S	S	.	.	H	α-helix	trans	-64.6	-44.5	175.7	-67.8	163	0	0	0	111	S726 C727 T733 F734	S726-I730 VanDerWaalsContact O-CG1 3.3Å; S726-I730 WeakPolarHBondContact O-CG1 3.37Å; S726-I730 PolarHBondContact O-N 2.8Å; C727-I730 PolarHBondContact O-N 2.88Å; I730-T733 WeakPolarHBondContact CA-OG1 3.43Å; I730-T733 PolarHBondContact O-N 2.89Å; I730-T733 PolarHBondContact O-OG1 3.47Å; I730-F734 HydrophobicContact CG2-CD2 4.33Å; I730-F734 WeakPolarHBondContact O-CB 3.04Å; I730-F734 PolarHBondContact O-N 2.04Å
731	I	76.1	Confident	68.1	Low	106 Å²	106	89.6 Å²	89.6	54%	0.544	52%	0.516	S	S	.	.	H	α-helix	trans	-66.2	-43.3	179	-67.4	167.6	0	0	0	111.4	C727 M728 F734 A735	C727-I731 WeakPolarHBondContact O-CG1 3.31Å; C727-I731 PolarHBondContact O-N 2.88Å; M728-I731 PolarHBondContact O-N 3.26Å; I731-F734 PolarHBondContact O-N 2.86Å; I731-A735 WeakPolarHBondContact O-CB 3.04Å; I731-A735 PolarHBondContact O-N 2.87Å
732	T	72.5	Confident	68.5	Low	88 Å²	88	90.9 Å²	90.9	54%	0.54	52%	0.517	S	S	.	.	H	α-helix	trans	-69.2	-34.1	178.3	49.7	0	0	0	0	113	M728 A729 G736	M728-T732 WeakPolarHBondContact O-CB 3Å; M728-T732 WeakPolarHBondContact O-CG2 3.46Å; M728-T732 PolarHBondContact O-N 3.36Å; M728-T732 PolarHBondContact O-OG1 2.89Å; A729-T732 WeakPolarHBondContact CA-OG1 3.27Å; A729-T732 PolarHBondContact O-OG1 3.2Å; A729-T732 VanDerWaalsContact O-OG1 3.1Å; T732-G736 PolarHBondContact O-N 3.25Å
733	T	73.4	Confident	68.3	Low	84 Å²	84	93.3 Å²	93.3	52%	0.515	53%	0.527	S	S	.	.	H	α-helix	trans	-70.5	-41.9	172.7	46.9	0	0	0	0	112.2	A729 I730 G736 V737	A729-T733 WeakPolarHBondContact O-CB 3.34Å; A729-T733 WeakPolarHBondContact O-CG2 3.49Å; A729-T733 PolarHBondContact O-N 3.34Å; A729-T733 PolarHBondContact O-OG1 3.24Å; I730-T733 WeakPolarHBondContact CA-OG1 3.43Å; I730-T733 PolarHBondContact O-N 2.89Å; I730-T733 PolarHBondContact O-OG1 3.47Å; T733-G736 PolarHBondContact O-N 2.88Å; T733-V737 WeakPolarHBondContact O-CB 3.45Å; T733-V737 VanDerWaalsContact O-CG2 3.31Å; T733-V737 WeakPolarHBondContact O-CG2 3.2Å; T733-V737 PolarHBondContact O-N 3.4Å
734	F	72.6	Confident	68.2	Low	158 Å²	158	100.8 Å²	100.8	69%	0.693	54%	0.542	S	S	*	.	H	α-helix	trans	-60.7	-45.9	172.2	-105.8	-88.2	0	0	0	112.3	I730 I731 G736 V737 F738	I730-F734 HydrophobicContact CG2-CD2 4.33Å; I730-F734 WeakPolarHBondContact O-CB 3.04Å; I730-F734 PolarHBondContact O-N 2.04Å; I731-F734 PolarHBondContact O-N 2.86Å; F734-G736 VanDerWaalsContact C-N 3.35Å; F734-G736 PolarHBondContact O-N 2.94Å; F734-V737 PolarHBondContact O-N 3.02Å; F734-F738 VanDerWaalsContact O-CB 3.27Å; F734-F738 WeakPolarHBondContact O-CB 3.38Å; F734-F738 PolarHBondContact O-N 3.35Å
735	A	73.7	Confident	67.3	Low	52 Å²	52	100.2 Å²	100.2	43%	0.43	54%	0.542	S	S	.	.	H	α-helix	trans	-62.9	-40.6	176.5	0	0	0	0	0	112	I731 F738 L739	I731-A735 WeakPolarHBondContact O-CB 3.04Å; I731-A735 PolarHBondContact O-N 2.87Å; A735-F738 PolarHBondContact O-N 3.3Å; A735-L739 WeakPolarHBondContact O-CB 3.25Å; A735-L739 PolarHBondContact O-N 3.16Å
736	G	77.3	Confident	66.8	Low	38 Å²	38	97.7 Å²	97.7	39%	0.392	55%	0.545	S	S	.	.	H	α-helix	trans	-66.2	-44.3	177	0	0	0	0	0	113.2	T732 T733 F734 L739 M740	T732-G736 PolarHBondContact O-N 3.25Å; T733-G736 PolarHBondContact O-N 2.88Å; F734-G736 VanDerWaalsContact C-N 3.35Å; F734-G736 PolarHBondContact O-N 2.94Å; G736-L739 PolarHBondContact O-N 2.03Å; G736-M740 WeakPolarHBondContact O-CB 3.03Å; G736-M740 PolarHBondContact O-N 2.78Å
737	V	74.1	Confident	65.7	Low	86 Å²	86	97.9 Å²	97.9	52%	0.521	55%	0.55	S	S	.	.	H	α-helix	trans	-64.2	-43.1	174.6	170.2	0	0	0	0	110.7	T733 F734 L739 M740 L741	T733-V737 WeakPolarHBondContact O-CB 3.45Å; T733-V737 VanDerWaalsContact O-CG2 3.31Å; T733-V737 WeakPolarHBondContact O-CG2 3.2Å; T733-V737 PolarHBondContact O-N 3.4Å; F734-V737 PolarHBondContact O-N 3.02Å; V737-L739 PolarHBondContact O-N 3.33Å; V737-M740 PolarHBondContact O-N 2.94Å; V737-L741 HydrophobicContact CG1-CD1 3.87Å; V737-L741 HydrophobicContact CG1-CG 4.38Å; V737-L741 WeakPolarHBondContact O-CB 3.44Å; V737-L741 VanDerWaalsContact O-CG 3.28Å; V737-L741 WeakPolarHBondContact O-CG 3.02Å; V737-L741 PolarHBondContact O-N 2.91Å
738	F	70.4	Confident	64.7	Low	130 Å²	130	102.1 Å²	102.1	57%	0.57	57%	0.567	S	S	*	*	H	α-helix	trans	-60.5	-44.8	174.9	-171.7	-97.2	0	0	0	111.6	F734 A735 L741 Q742	F734-F738 VanDerWaalsContact O-CB 3.27Å; F734-F738 WeakPolarHBondContact O-CB 3.38Å; F734-F738 PolarHBondContact O-N 3.35Å; A735-F738 PolarHBondContact O-N 3.3Å; F738-L741 PolarHBondContact O-N 3.49Å; F738-Q742 HydrophobicContact CD1-CG 4.18Å; F738-Q742 HydrophobicContact CE1-CG 3.95Å; F738-Q742 HydrophobicContact CZ-CG 4.31Å; F738-Q742 VanDerWaalsContact O-CG 3.26Å; F738-Q742 WeakPolarHBondContact O-CG 3.26Å; F738-Q742 PolarHBondContact O-N 3.3Å
739	L	67	Low	63.3	Low	107 Å²	107	103.8 Å²	103.8	56%	0.56	58%	0.576	S	S	*	*	H	α-helix	trans	-63.7	-41.6	175.1	-122.3	95.4	0	0	0	112.4	A735 G736 V737 L741 Q742 L743	A735-L739 WeakPolarHBondContact O-CB 3.25Å; A735-L739 PolarHBondContact O-N 3.16Å; G736-L739 PolarHBondContact O-N 2.03Å; V737-L739 PolarHBondContact O-N 3.33Å; L739-L741 VanDerWaalsContact C-N 3.34Å; L739-L741 PolarHBondContact O-N 3.16Å; L739-Q742 PolarHBondContact O-N 3.03Å; L739-L743 HydrophobicContact CD2-CD1 4.43Å; L739-L743 WeakPolarHBondContact O-CB 3.43Å; L739-L743 VanDerWaalsContact O-CG 3.25Å; L739-L743 WeakPolarHBondContact O-CG 3.44Å; L739-L743 PolarHBondContact O-N 3.11Å
740	M	65.4	Low	61.6	Low	121 Å²	121	110.7 Å²	110.7	60%	0.596	60%	0.597	S	S	*	*	H	α-helix	trans	-63.4	-39	176.8	-108.6	-72	-179	0	0	112.3	G736 V737 R744	G736-M740 WeakPolarHBondContact O-CB 3.03Å; G736-M740 PolarHBondContact O-N 2.78Å; V737-M740 PolarHBondContact O-N 2.94Å; M740-R744 WeakPolarHBondContact O-CB 3.48Å; M740-R744 WeakPolarHBondContact O-CG 2.99Å; M740-R744 PolarHBondContact O-N 2.86Å
741	L	63.1	Low	59.5	Low	108 Å²	108	113.2 Å²	113.2	57%	0.565	61%	0.611	S	S	*	*	H	α-helix	trans	-65.7	-45.5	174.6	-72	168.1	0	0	0	111	V737 F738 L739 L743 R744 S745	V737-L741 HydrophobicContact CG1-CD1 3.87Å; V737-L741 HydrophobicContact CG1-CG 4.38Å; V737-L741 WeakPolarHBondContact O-CB 3.44Å; V737-L741 VanDerWaalsContact O-CG 3.28Å; V737-L741 WeakPolarHBondContact O-CG 3.02Å; V737-L741 PolarHBondContact O-N 2.91Å; F738-L741 PolarHBondContact O-N 3.49Å; L739-L741 VanDerWaalsContact C-N 3.34Å; L739-L741 PolarHBondContact O-N 3.16Å; L741-L743 VanDerWaalsContact C-N 3.35Å; L741-L743 PolarHBondContact O-N 2.03Å; L741-R744 PolarHBondContact O-N 3.01Å; L741-S745 WeakPolarHBondContact O-CB 3.45Å; L741-S745 PolarHBondContact O-N 3Å; L741-S745 PolarHBondContact O-OG 2.9Å; L741-S745 VanDerWaalsContact O-OG 3.12Å
742	Q	64.4	Low	57.5	Low	90 Å²	90	114.1 Å²	114.1	42%	0.421	62%	0.624	S	S	.	*	H	α-helix	trans	-63.2	-37.4	176	-68.3	-67.8	-17.6	0	0	112.8	F738 L739 S745	F738-Q742 HydrophobicContact CD1-CG 4.18Å; F738-Q742 HydrophobicContact CE1-CG 3.95Å; F738-Q742 HydrophobicContact CZ-CG 4.31Å; F738-Q742 VanDerWaalsContact O-CG 3.26Å; F738-Q742 WeakPolarHBondContact O-CG 3.26Å; F738-Q742 PolarHBondContact O-N 3.3Å; L739-Q742 PolarHBondContact O-N 3.03Å; Q742-S745 WeakPolarHBondContact CA-OG 3.37Å; Q742-S745 PolarHBondContact O-N 2.81Å; Q742-S745 PolarHBondContact O-OG 2.92Å; Q742-S745 VanDerWaalsContact O-OG 3.12Å
743	L	60.8	Low	55.3	Low	130 Å²	130	115.4 Å²	115.4	68%	0.681	64%	0.637	S	S	*	*	H	α-helix	trans	-71.7	-32.5	175.5	-73.8	167.3	0	0	0	112.5	L739 L741	L739-L743 HydrophobicContact CD2-CD1 4.43Å; L739-L743 WeakPolarHBondContact O-CB 3.43Å; L739-L743 VanDerWaalsContact O-CG 3.25Å; L739-L743 WeakPolarHBondContact O-CG 3.44Å; L739-L743 PolarHBondContact O-N 3.11Å; L741-L743 VanDerWaalsContact C-N 3.35Å; L741-L743 PolarHBondContact O-N 2.03Å
744	R	55	Low	53.3	Low	218 Å²	218	118.9 Å²	118.9	82%	0.823	65%	0.651	S	S	*	*	H	α-helix	trans	-75.2	-27.1	172.2	-81.9	-172.5	170.3	-163.1	-2.3	113.5	M740 L741 G746	M740-R744 WeakPolarHBondContact O-CB 3.48Å; M740-R744 WeakPolarHBondContact O-CG 2.99Å; M740-R744 PolarHBondContact O-N 2.86Å; L741-R744 PolarHBondContact O-N 3.01Å; R744-G746 VanDerWaalsContact C-N 3.34Å
745	S	51.3	Low	51.2	Low	74 Å²	74	121 Å²	121	52%	0.517	66%	0.663	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.2	1.1	-179.3	59.6	0	0	0	0	114.9	L741 Q742 A747	L741-S745 WeakPolarHBondContact O-CB 3.45Å; L741-S745 PolarHBondContact O-N 3Å; L741-S745 PolarHBondContact O-OG 2.9Å; L741-S745 VanDerWaalsContact O-OG 3.12Å; Q742-S745 WeakPolarHBondContact CA-OG 3.37Å; Q742-S745 PolarHBondContact O-N 2.81Å; Q742-S745 PolarHBondContact O-OG 2.92Å; Q742-S745 VanDerWaalsContact O-OG 3.12Å; S745-A747 PolarHBondContact O-N 2.67Å
746	G	50.9	Low	49.1	Very low	67 Å²	67	123.5 Å²	123.5	69%	0.691	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	63.5	17.2	168.5	0	0	0	0	0	116	R744 L748	R744-G746 VanDerWaalsContact C-N 3.34Å; G746-L748 PolarHBondContact O-N 2.85Å
747	A	42.2	Very low	46.7	Very low	62 Å²	62	125.3 Å²	125.3	51%	0.512	70%	0.703	S	S	.	*			trans	-85.6	95.6	-174.1	0	0	0	0	0	111.5	S745 I749	S745-A747 PolarHBondContact O-N 2.67Å; A747-I749 PolarHBondContact O-N 3.36Å
748	L	39.3	Very low	44.4	Very low	164 Å²	164	125.5 Å²	125.5	86%	0.859	72%	0.722	S	S	*	*			trans	-72.2	114.8	178.3	-142.9	120.4	0	0	0	110.8	G746 K750	G746-L748 PolarHBondContact O-N 2.85Å; L748-K750 PolarHBondContact O-N 3.06Å
749	I	37.7	Very low	42.3	Very low	147 Å²	147	122.8 Å²	122.8	75%	0.754	73%	0.731	S	S	*	*			trans	-69.7	110.3	178.8	-60.1	172.8	0	0	0	109.6	A747 L751	A747-I749 PolarHBondContact O-N 3.36Å; I749-L751 HydrophobicContact CG2-CD1 4.47Å
750	K	30.3	Very low	40.4	Very low	194 Å²	194	127 Å²	127	84%	0.843	75%	0.745	S	S	*	*			trans	-86.7	113.9	162.9	-84.7	-173.9	173.3	-179.4	0	109.9	L748	L748-K750 PolarHBondContact O-N 3.06Å
751	L	31.3	Very low	38.5	Very low	153 Å²	153	126.6 Å²	126.6	80%	0.801	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-70.4	142.2	159.1	-78.9	93.5	0	0	0	109.8	I749	I749-L751 HydrophobicContact CG2-CD1 4.47Å
752	P	33.9	Very low	36.7	Very low	126 Å²	126	128.4 Å²	128.4	82%	0.818	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-81.7	122.4	165.5	30.4	-27.8	0	0	0	110.3
753	S	27.2	Very low	34.9	Very low	115 Å²	115	135.5 Å²	135.5	80%	0.804	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-80.7	146.1	164.7	-169.4	0	0	0	0	110
754	L	31.8	Very low	33.2	Very low	156 Å²	156	133.4 Å²	133.4	82%	0.817	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-66.3	142	156.1	-81.2	76.2	0	0	0	108.8
755	E	28.3	Very low	31.8	Very low	202 Å²	202	126.6 Å²	126.6	94%	0.944	79%	0.789	S	S	*	*			trans	-162.3	166.8	132	-117.6	173.7	-170.3	0	0	111.4
756	A	29.2	Very low	30.8	Very low	105 Å²	105	134.8 Å²	134.8	87%	0.868	81%	0.809	S	S	*	*			trans	-108.4	163.2	-166	0	0	0	0	0	113
757	G	27.1	Very low	29.8	Very low	77 Å²	77	137.4 Å²	137.4	79%	0.794	81%	0.811	S	S	*	*			trans	149.5	118.2	165.1	0	0	0	0	0	114.3
758	G	26.2	Very low	29.3	Very low	89 Å²	89	140.5 Å²	140.5	92%	0.918	82%	0.824	S	S	*	*			trans	-79.9	-167.7	-177.5	0	0	0	0	0	116.5
759	G	25.8	Very low	28.8	Very low	74 Å²	74	137.1 Å²	137.1	76%	0.763	81%	0.813	S	S	*	*			trans	124.9	94.9	159.8	0	0	0	0	0	117.7
760	F	26	Very low	28.4	Very low	194 Å²	194	139.8 Å²	139.8	85%	0.851	82%	0.815	S	S	*	*			trans	24.8	122.3	135.9	-84.7	-101.2	0	0	0	122.5
761	T	25.8	Very low	28.3	Very low	114 Å²	114	141.9 Å²	141.9	70%	0.699	82%	0.818	S	S	*	*			trans	80.8	141.1	130.5	51.1	0	0	0	0	125.8
762	L	26.2	Very low	28.1	Very low	145 Å²	145	137.4 Å²	137.4	76%	0.759	81%	0.809	S	S	*	*			trans	74.1	100.9	147.3	-95.7	92	0	0	0	123.1
763	R	26.4	Very low	28	Very low	239 Å²	239	139.3 Å²	139.3	90%	0.902	81%	0.811	S	S	*	*				58.7	106.4	108.2	-159.3	-172.9	-156.4	-150	7.6	120.7
764	G	25.8	Very low	28.8	Very low	86 Å²	86	139.3 Å²	139.3	89%	0.887	81%	0.808	S	S	*	*				118.8	131.5	118.2	0	0	0	0	0	120.4
765	G	24.9	Very low	29	Very low	75 Å²	75	137.7 Å²	137.7	77%	0.773	81%	0.805	S	S	*	*			trans	140.9	82.6	168.7	0	0	0	0	0	112.5
766	R	31	Very low	29.2	Very low	246 Å²	246	133.6 Å²	133.6	93%	0.928	79%	0.794	S	S	*	*				46.1	126.5	95	-79.3	-172	169	179.5	-2.9	113.3
767	V	29.4	Very low	29.2	Very low	122 Å²	122	140.7 Å²	140.7	74%	0.739	80%	0.798	S	S	*	*				-163.3	125.9	67.6	154.8	0	0	0	0	112.2
768	V	31	Very low	29.2	Very low	128 Å²	128	140.3 Å²	140.3	78%	0.776	79%	0.794	S	S	*	*			trans	59.4	140.7	130.9	-177	0	0	0	0	119.2
769	S	29.3	Very low	29.3	Very low	92 Å²	92	143.4 Å²	143.4	64%	0.643	79%	0.79	S	S	*	*			cis	-159	143.7	32.6	119.5	0	0	0	0	116
770	Y	29.9	Very low	29.5	Very low	203 Å²	203	148 Å²	148	80%	0.796	80%	0.797	S	S	*	*			trans	45.2	148.3	139.8	-66.7	-69.5	0	0	0	122.7
771	R	28.5	Very low	29.6	Very low	238 Å²	238	142.3 Å²	142.3	90%	0.898	79%	0.792	S	S	*	*			cis	-151.7	168.5	9.6	-119.7	173.7	-169	168.7	2.5	107.9
772	G	26.8	Very low	29.7	Very low	60 Å²	60	144.2 Å²	144.2	62%	0.619	80%	0.798	S	S	*	*			cis	165.1	78.3	-5.8	0	0	0	0	0	116.1
773	I	30.9	Very low	29.8	Very low	165 Å²	165	143.9 Å²	143.9	85%	0.846	80%	0.797	S	S	*	*				39.6	141.9	128.3	-47.4	178	0	0	0	118.9
774	P	45.3	Very low	29.9	Very low	116 Å²	116	138 Å²	138	75%	0.753	79%	0.787	S	S	*	*			cis	-147.1	-151.9	-27.8	47.6	-27.3	0	0	0	114.7
775	T	35.8	Very low	30	Very low	122 Å²	122	140.5 Å²	140.5	75%	0.748	78%	0.78	S	S	*	*			trans	-90.4	179.8	176.2	44.5	0	0	0	0	117.1
776	V	31	Very low	30.2	Very low	116 Å²	116	142.1 Å²	142.1	70%	0.703	78%	0.78	S	S	*	*			trans	99.9	147.4	150.4	-152	0	0	0	0	119.3
777	W	30.5	Very low	30.3	Very low	253 Å²	253	139.8 Å²	139.8	96%	0.958	78%	0.779	S	S	*	*			trans	79.7	142.4	173.6	-54.6	73.3	0	0	0	115.4
778	G	26.1	Very low	30.3	Very low	69 Å²	69	141.3 Å²	141.3	71%	0.711	78%	0.783	S	S	*	*			cis	-173.9	-177.4	0.5	0	0	0	0	0	111.3
779	D	29.2	Very low	30.4	Very low	155 Å²	155	143.8 Å²	143.8	83%	0.829	79%	0.786	S	S	*	*			trans	-68.2	174.5	-168.1	-63.3	-67.8	0	0	0	118.6
780	D	30.6	Very low	30.4	Very low	171 Å²	171	147.9 Å²	147.9	91%	0.914	80%	0.795	S	S	*	*			trans	105.4	137.4	150.7	-67.9	-33.2	0	0	0	121.7
781	G	27	Very low	30.3	Very low	73 Å²	73	146.9 Å²	146.9	75%	0.753	80%	0.795	S	S	*	*			trans	107.4	86.1	165.5	0	0	0	0	0	116
782	L	27.8	Very low	30.2	Very low	155 Å²	155	141.7 Å²	141.7	81%	0.812	79%	0.785	S	S	*	*				62.2	112.2	71.3	-107.7	167.1	0	0	0	116.4
783	N	27.9	Very low	30.4	Very low	138 Å²	138	145.8 Å²	145.8	74%	0.738	80%	0.798	S	S	*	*			trans	47	136.4	159	-63.5	-2.4	0	0	0	119.3
784	T	28.8	Very low	30.4	Very low	115 Å²	115	145 Å²	145	71%	0.706	79%	0.791	S	S	*	*				-165.9	153.8	64.2	40.6	0	0	0	0	113
785	D	28.9	Very low	29.5	Very low	138 Å²	138	144.4 Å²	144.4	74%	0.738	78%	0.781	S	S	*	*			trans	43.4	104.9	136.6	-51.2	-22.1	0	0	0	118.5
786	S	29.3	Very low	29.4	Very low	109 Å²	109	144.8 Å²	144.8	76%	0.762	77%	0.774	S	S	*	*				80.4	114	84	83.4	0	0	0	0	114
787	E	33.2	Very low	29.3	Very low	198 Å²	198	149.3 Å²	149.3	93%	0.925	78%	0.779	S	S	*	*			trans	-152.7	147	144.5	-118.2	164.2	-154.2	0	0	109.1
788	N	29.3	Very low	29.5	Very low	154 Å²	154	143.5 Å²	143.5	82%	0.824	77%	0.772	S	S	*	*			trans	-79.5	150.5	-174	-52	-63.4	0	0	0	110.3
789	E	31.5	Very low	29.6	Very low	179 Å²	179	145.1 Å²	145.1	84%	0.836	78%	0.778	S	S	*	*				-158.3	126.8	112.9	-111.9	172.7	-158.2	0	0	111.9
790	E	29.8	Very low	29.7	Very low	178 Å²	178	147 Å²	147	83%	0.832	78%	0.779	S	S	*	*			trans	-75.6	129	167.8	176.9	173.8	-144.2	0	0	107.6
791	F	27.1	Very low	30	Very low	182 Å²	182	145.2 Å²	145.2	80%	0.798	77%	0.768	S	S	*	*			trans	-134.9	116.1	167.6	-129.8	-82.7	0	0	0	111
792	D	27.7	Very low	30.1	Very low	129 Å²	129	151.4 Å²	151.4	69%	0.69	78%	0.775	S	S	*	*			trans	-54.5	135.2	177.4	-80.4	-61.5	0	0	0	112.4
793	V	31.7	Very low	30.6	Very low	146 Å²	146	149.8 Å²	149.8	89%	0.885	77%	0.772	S	S	*	*			trans	-102.4	93.3	156.7	-179.5	0	0	0	0	107.3
794	H	29.5	Very low	30.8	Very low	149 Å²	149	152.7 Å²	152.7	69%	0.69	78%	0.781	S	S	*	*			trans	-116.2	122	171.9	-129.2	69.5	0	0	0	111.3
795	N	27.8	Very low	31.4	Very low	103 Å²	103	152.9 Å²	152.9	55%	0.551	79%	0.787	S	S	*	*			trans	65.2	130.5	145.9	-77.7	20.1	0	0	0	123
796	E	32.6	Very low	31.8	Very low	130 Å²	130	150.8 Å²	150.8	61%	0.607	79%	0.788	S	S	*	*			trans	81.7	151.4	133.8	-70.3	170.5	-127.9	0	0	117.2
797	R	29.7	Very low	32.1	Very low	211 Å²	211	157.8 Å²	157.8	80%	0.796	82%	0.816	S	S	*	*			cis	-155.5	159.8	13.2	-145.2	173	-113.6	-176.5	-2.1	112.5
798	T	35	Very low	32	Very low	132 Å²	132	155.8 Å²	155.8	81%	0.81	81%	0.811	S	S	*	*			trans	-59.1	152.6	161.3	-19.1	0	0	0	0	112.6
799	A	27.8	Very low	32.2	Very low	103 Å²	103	155.9 Å²	155.9	85%	0.851	81%	0.81	S	S	*	*			trans	-150.4	137.3	158.5	0	0	0	0	0	112.1
800	F	30.5	Very low	32.2	Very low	193 Å²	193	154.6 Å²	154.6	85%	0.846	81%	0.809	S	S	*	*			trans	-144	151.1	-178.6	-140.3	-46.5	0	0	0	108.1
801	I	37.8	Very low	32.4	Very low	134 Å²	134	153.2 Å²	153.2	69%	0.687	81%	0.807	S	S	*	*			trans	72.9	119.4	160.7	-52.6	-178.9	0	0	0	118
802	K	28.4	Very low	32.7	Very low	203 Å²	203	151.4 Å²	151.4	88%	0.883	81%	0.808	S	S	*	*				-153.6	129	115.7	-120.3	177.2	-175.7	177.6	0	115.3
803	T	38.9	Very low	33	Very low	122 Å²	122	152.9 Å²	152.9	75%	0.748	82%	0.816	S	S	*	*			trans	-75.6	159.2	167.7	44	0	0	0	0	111.8
804	Q	32.6	Very low	33.1	Very low	198 Å²	198	153.4 Å²	153.4	93%	0.925	81%	0.811	S	S	*	*			trans	-147.8	129.8	153.1	-138.9	175.7	12.9	0	0	111.1
805	S	40.1	Very low	33.4	Very low	119 Å²	119	153.8 Å²	153.8	83%	0.832	82%	0.82	S	S	*	*			trans	-108.1	136.7	172.2	-53.9	0	0	0	0	109.4
806	A	37	Very low	33.9	Very low	94 Å²	94	158 Å²	158	78%	0.777	84%	0.842	S	S	*	*			trans	-164.2	122.8	159	0	0	0	0	0	110.9
807	L	36	Very low	34	Very low	257 Å²	257	160.5 Å²	160.5	100%	1.346	86%	0.864	S	S	*	*			trans	92.4	0	-179.7	-63.2	164.5	0	0	0	116.4

Retrieved 807 of 807 residues in 530.9 ms (Link to these results)

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