A0A3Q0KBC6_SCHMA Loading...

Notchless homolog 1

AlphaFold DB , UniProt , Accession A0A3Q0KBC6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 587 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.9	Very low	34.8	Very low	236 Å²	236	153.5 Å²	153.5	100%	1.163	82%	0.815	S	S	*	*				0	116.2	0	-67.9	-179.5	-167.4	0	0	106.6
2	S	31.8	Very low	35.8	Very low	116 Å²	116	144.3 Å²	144.3	81%	0.811	78%	0.784	S	S	*	*			trans	-71.6	124.6	-168	44.7	0	0	0	0	112.3
3	Y	35.2	Very low	36.8	Very low	238 Å²	238	136.8 Å²	136.8	93%	0.933	75%	0.746	S	S	*	*			trans	-85.4	113.1	166.5	-83.6	-86.4	0	0	0	109.3
4	T	33.3	Very low	37.7	Very low	129 Å²	129	137.8 Å²	137.8	79%	0.791	74%	0.743	S	S	*	*			trans	-81.8	121.4	172.4	-17.4	0	0	0	0	108.7
5	S	32.6	Very low	39	Very low	106 Å²	106	135.9 Å²	135.9	74%	0.741	73%	0.732	S	S	*	*			trans	-69.6	126.3	174	59.3	0	0	0	0	110.8	Q7	S5-Q7 PolarHBondContact O-N 3.35Å
6	I	36.9	Very low	40.2	Very low	155 Å²	155	127.7 Å²	127.7	80%	0.795	69%	0.689	S	S	*	*			trans	-81.1	111.5	170.5	-64.1	168.4	0	0	0	107.8
7	Q	30.8	Very low	41.6	Very low	182 Å²	182	123.5 Å²	123.5	85%	0.85	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-74.5	120.5	163.7	-87.8	171.6	-66.9	0	0	108.8	S5	S5-Q7 PolarHBondContact O-N 3.35Å
8	L	32.4	Very low	42.5	Very low	157 Å²	157	122.3 Å²	122.3	82%	0.822	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-81.9	131.7	165.4	-71.6	169.8	0	0	0	108.9
9	P	31.8	Very low	43.4	Very low	89 Å²	89	121.2 Å²	121.2	58%	0.578	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-79.6	152	169.7	34	-29.2	0	0	0	108.9
10	F	38.9	Very low	44.2	Very low	161 Å²	161	116.6 Å²	116.6	71%	0.706	62%	0.624	S	S	*	*			trans	129.8	108.4	157.8	-60	-54.2	0	0	0	113.2	G12	F10-G12 PolarHBondContact O-N 2.96Å
11	P	43.3	Very low	44.3	Very low	120 Å²	120	117.6 Å²	117.6	78%	0.779	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76	17.5	-171.6	31	-35.5	0	0	0	115.6
12	G	46.7	Very low	44.6	Very low	42 Å²	42	110.3 Å²	110.3	43%	0.433	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.2	-30.4	-178.5	0	0	0	0	0	114.9	F10	F10-G12 PolarHBondContact O-N 2.96Å
13	V	49.3	Very low	44.9	Very low	48 Å²	48	113 Å²	113	29%	0.291	60%	0.6	S	S	.	*	H	α-helix	trans	-78.5	-33	-171.9	-177.3	0	0	0	0	111.9	N15 A16 L17	V13-N15 VanDerWaalsContact C-N 3.3Å; V13-N15 PolarHBondContact O-N 3.12Å; V13-A16 PolarHBondContact O-N 2.79Å; V13-L17 HydrophobicContact CG1-CD1 4.05Å; V13-L17 HydrophobicContact CG1-CG 4.42Å; V13-L17 PolarHBondContact O-N 3.13Å
14	E	49.3	Very low	45	Very low	150 Å²	150	108.5 Å²	108.5	70%	0.701	59%	0.593	S	S	*	*	H	α-helix	trans	-61.8	-36.1	-179.6	-70.8	-176.6	164.9	0	0	112.4	N18	E14-N18 PolarHBondContact O-ND2 3.31Å; E14-N18 PolarHBondContact O-OD1 3.24Å
15	N	56.5	Low	44.9	Very low	110 Å²	110	106.9 Å²	106.9	59%	0.588	59%	0.587	S	S	*	*	H	α-helix	trans	-69	-41.4	179.5	-77.2	-11.2	0	0	0	112.7	V13 L17 N18	V13-N15 VanDerWaalsContact C-N 3.3Å; V13-N15 PolarHBondContact O-N 3.12Å; N15-L17 VanDerWaalsContact C-N 3.33Å; N15-L17 PolarHBondContact O-N 2.69Å; N15-N18 WeakPolarHBondContact O-CB 3.47Å; N15-N18 PolarHBondContact O-N 3.2Å
16	A	59	Low	45	Very low	4 Å²	4	108.2 Å²	108.2	3%	0.033	59%	0.59	C	S	.	*	H	α-helix	trans	-70.2	-27.8	-177.7	0	0	0	0	0	113.2	V13 N18 D73	V13-A16 PolarHBondContact O-N 2.79Å; A16-N18 VanDerWaalsContact C-N 3.31Å; A16-D73 HydrophobicContact CB-CB 3.85Å
17	L	62.8	Low	44.7	Very low	57 Å²	57	107.1 Å²	107.1	30%	0.298	59%	0.59	S	S	.	*	H	α-helix	trans	-75.8	-18.1	178.7	-71.5	174.1	0	0	0	113.3	V13 N15 H19 L20 I56	V13-L17 HydrophobicContact CG1-CD1 4.05Å; V13-L17 HydrophobicContact CG1-CG 4.42Å; V13-L17 PolarHBondContact O-N 3.13Å; N15-L17 VanDerWaalsContact C-N 3.33Å; N15-L17 PolarHBondContact O-N 2.69Å; L17-H19 PolarHBondContact O-N 3.13Å; L17-L20 HydrophobicContact CD2-CD1 3.88Å; L17-L20 WeakPolarHBondContact O-CB 3.45Å; L17-L20 PolarHBondContact O-N 3.27Å; L17-I56 HydrophobicContact CD2-CG2 3.7Å
18	N	58.7	Low	44.7	Very low	101 Å²	101	106 Å²	106	54%	0.54	59%	0.59	S	S	.	*	G	3₁₀ helix	trans	-61.1	-27.7	-178.5	-70.9	-30.1	0	0	0	112.7	E14 N15 A16 L20	E14-N18 PolarHBondContact O-ND2 3.31Å; E14-N18 PolarHBondContact O-OD1 3.24Å; N15-N18 WeakPolarHBondContact O-CB 3.47Å; N15-N18 PolarHBondContact O-N 3.2Å; A16-N18 VanDerWaalsContact C-N 3.31Å; N18-L20 VanDerWaalsContact C-N 3.27Å; N18-L20 PolarHBondContact O-N 3.47Å
19	H	58.5	Low	44.6	Very low	102 Å²	102	104.4 Å²	104.4	47%	0.472	59%	0.587	S	S	.	*	G	3₁₀ helix	trans	-73.1	-16.3	177.1	-64.6	-67.9	0	0	0	114.1	L17 D73	L17-H19 PolarHBondContact O-N 3.13Å; H19-D73 IonicContact CD2-OD2 3.72Å; H19-D73 PolarHBondContact CD2-OD2 3.1Å; H19-D73 IonicContact NE2-OD2 3.83Å; H19-D73 PolarHBondContact NE2-OD2 3.23Å
20	L	59.9	Low	44.7	Very low	28 Å²	28	106.1 Å²	106.1	15%	0.147	60%	0.596	C	S	.	*	G	3₁₀ helix	trans	-92.3	-12.9	-179.7	-62.9	176.4	0	0	0	113	L17 N18 I58 V62 K66 L70	L17-L20 HydrophobicContact CD2-CD1 3.88Å; L17-L20 WeakPolarHBondContact O-CB 3.45Å; L17-L20 PolarHBondContact O-N 3.27Å; N18-L20 VanDerWaalsContact C-N 3.27Å; N18-L20 PolarHBondContact O-N 3.47Å; L20-I58 HydrophobicContact CD1-CB 4.5Å; L20-I58 HydrophobicContact CD1-CD1 4.13Å; L20-I58 HydrophobicContact CD1-CG1 4Å; L20-I58 HydrophobicContact CD1-CG2 3.95Å; L20-V62 HydrophobicContact CD2-CG1 3.91Å; L20-V62 HydrophobicContact CD2-CG2 3.74Å; L20-K66 HydrophobicContact CD2-CB 4.04Å; L20-K66 HydrophobicContact CD2-CD 4.36Å; L20-L70 HydrophobicContact CD1-CD1 3.74Å; L20-L70 HydrophobicContact CG-CD1 4.44Å
21	M	47	Very low	44.2	Very low	138 Å²	138	106.4 Å²	106.4	68%	0.68	60%	0.599	S	S	*	*	S	Bend	trans	-99.4	132.3	-178	-65.6	-96.5	-79.8	0	0	109.9	I23	M21-I23 PolarHBondContact O-N 3.43Å
22	P	42	Very low	43.5	Very low	84 Å²	84	107 Å²	107	55%	0.545	60%	0.601	S	S	.	*			trans	-58.9	138	170.4	-18	29.9	0	0	0	110.7	D24	P22-D24 PolarHBondContact O-N 2.74Å
23	I	38	Very low	42.7	Very low	171 Å²	171	110.4 Å²	110.4	88%	0.877	62%	0.618	S	S	*	*			trans	-73.2	81.5	169.8	-55.5	169.8	0	0	0	107.2	M21 S25	M21-I23 PolarHBondContact O-N 3.43Å; I23-S25 PolarHBondContact O-N 3.45Å
24	D	37.2	Very low	41.9	Very low	145 Å²	145	116.3 Å²	116.3	78%	0.775	65%	0.648	S	S	*	*			trans	-83.4	100.4	179.3	-79.9	-18.1	0	0	0	111	P22	P22-D24 PolarHBondContact O-N 2.74Å
25	S	31.7	Very low	41.5	Very low	95 Å²	95	117.6 Å²	117.6	66%	0.664	65%	0.654	S	S	*	*			trans	-67.6	129.1	152.8	55	0	0	0	0	110.3	I23	I23-S25 PolarHBondContact O-N 3.45Å
26	T	33.4	Very low	41.2	Very low	134 Å²	134	117.4 Å²	117.4	82%	0.822	66%	0.661	S	S	*	*			trans	71.5	105	156.4	58.5	0	0	0	0	118.6
27	V	30.5	Very low	41.4	Very low	131 Å²	131	124.1 Å²	124.1	79%	0.794	69%	0.69	S	S	*	*			trans	-33.4	123	155.8	179.6	0	0	0	0	113.1
28	N	32	Very low	42.1	Very low	158 Å²	158	126.4 Å²	126.4	85%	0.845	70%	0.699	S	S	*	*			trans	-159.5	124.7	142.2	-92.2	-29.7	0	0	0	110.9
29	T	29.9	Very low	43.2	Very low	125 Å²	125	122.9 Å²	122.9	77%	0.767	68%	0.682	S	S	*	*			trans	-63.3	141.9	173.3	39	0	0	0	0	113
30	V	34.7	Very low	44.4	Very low	124 Å²	124	118.8 Å²	118.8	75%	0.752	67%	0.665	S	S	*	*				162.9	114.3	126.7	164.1	0	0	0	0	110.2
31	E	27.7	Very low	45.7	Very low	168 Å²	168	121.3 Å²	121.3	79%	0.785	68%	0.675	S	S	*	*			trans	37.7	113.3	144.2	-54.3	179.3	165.1	0	0	120.6
32	T	28	Very low	47.7	Very low	132 Å²	132	114.7 Å²	114.7	81%	0.81	64%	0.643	S	S	*	*				153.2	125.5	112.1	46.9	0	0	0	0	113.5
33	S	30.4	Very low	50	Low	114 Å²	114	111.2 Å²	111.2	80%	0.797	62%	0.619	S	S	*	*			trans	74.4	73.9	171.4	71.1	0	0	0	0	119.2	Q35	S33-Q35 PolarHBondContact O-N 3.45Å
34	D	32.9	Very low	52.6	Low	171 Å²	171	103.2 Å²	103.2	91%	0.914	58%	0.578	S	S	*	*			trans	-67.4	97	162.7	-84.3	-26.1	0	0	0	110.4	S36	D34-S36 VanDerWaalsContact C-N 3.33Å; D34-S36 PolarHBondContact O-N 3.02Å
35	Q	40.5	Very low	55.1	Low	178 Å²	178	96.3 Å²	96.3	83%	0.832	54%	0.541	S	S	*	.			trans	-62.7	102.6	151.5	-71.3	-175.5	0.4	0	0	106.2	S33 K37	S33-Q35 PolarHBondContact O-N 3.45Å; Q35-K37 PolarHBondContact O-N 3.17Å
36	S	51.1	Low	57.7	Low	105 Å²	105	93.1 Å²	93.1	73%	0.734	52%	0.517	S	S	*	.			trans	-49.7	105.9	171.7	55.2	0	0	0	0	108.1	D34 E38	D34-S36 VanDerWaalsContact C-N 3.33Å; D34-S36 PolarHBondContact O-N 3.02Å; S36-E38 PolarHBondContact O-N 3.06Å
37	K	62.5	Low	60	Low	146 Å²	146	90 Å²	90	64%	0.635	50%	0.5	S	S	*	.			trans	-57.4	110.5	-178.2	-70.8	-174.4	-180	-177.4	0	107.4	Q35 S39	Q35-K37 PolarHBondContact O-N 3.17Å; K37-S39 PolarHBondContact O-N 3.08Å; K37-S39 PolarHBondContact O-OG 2.79Å
38	E	76.9	Confident	62.3	Low	104 Å²	104	86.6 Å²	86.6	49%	0.486	48%	0.477	S	S	.	.			trans	-56.1	128.2	178.5	-66	171	-171	0	0	108	S36 L60 K99	S36-E38 PolarHBondContact O-N 3.06Å; E38-L60 HydrophobicContact CB-CB 4.42Å; E38-L60 HydrophobicContact CB-CD1 3.7Å; E38-L60 HydrophobicContact CB-CG 4.14Å; E38-L60 WeakPolarHBondContact O-CB 3.42Å; E38-L60 WeakPolarHBondContact O-CG 3.45Å; E38-L60 PolarHBondContact O-N 3.08Å; E38-K99 IonicContact OE1-NZ 3.15Å; E38-K99 PolarHBondContact OE1-NZ 3.04Å; E38-K99 VanDerWaalsContact OE1-NZ 3.08Å; E38-K99 VanDerWaalsContact OE2-CE 3.28Å; E38-K99 WeakPolarHBondContact OE2-CE 3.46Å; E38-K99 IonicContact OE2-NZ 3.85Å; E38-K99 PolarHBondContact OE2-NZ 3.02Å
39	S	82.8	Confident	64.6	Low	27 Å²	27	80.8 Å²	80.8	19%	0.189	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	157.8	-178.1	37.5	0	0	0	0	109.6	K37 W57 I58 L122	K37-S39 PolarHBondContact O-N 3.08Å; K37-S39 PolarHBondContact O-OG 2.79Å; S39-W57 VanDerWaalsContact OG-CE2 3.31Å; S39-W57 WeakPolarHBondContact OG-CZ2 3.49Å; S39-W57 PolarHBondContact OG-NE1 3.47Å; S39-W57 VanDerWaalsContact OG-NE1 3.16Å; S39-I58 WeakPolarHBondContact CA-O 3.43Å; S39-I58 WeakPolarHBondContact CB-O 3.46Å; S39-L122 WeakPolarHBondContact O-CD2 3.47Å
40	S	82.8	Confident	67.3	Low	17 Å²	17	79.5 Å²	79.5	12%	0.119	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	152.4	-178.8	-171.2	0	0	0	0	110.5	I58	S40-I58 PolarHBondContact N-O 2.95Å; S40-I58 PolarHBondContact O-N 3.12Å
41	F	87.7	Confident	69.9	Low	80 Å²	80	79.9 Å²	79.9	35%	0.351	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	131	163.3	-75.6	-71.3	0	0	0	109.6	P55 I56 W57 V125 V126	F41-P55 HydrophobicContact CD1-CB 4.41Å; F41-I56 CarbonylContact C-O 3.58Å; F41-I56 WeakPolarHBondContact CA-O 3.08Å; F41-W57 HydrophobicContact CB-CE3 4.4Å; F41-W57 HydrophobicContact CD1-CB 4.24Å; F41-W57 AromaticContact CD1-CE3 3.8Å; F41-W57 HydrophobicContact CD1-CE3 3.8Å; F41-W57 AromaticContact CD2-CE3 3.34Å; F41-W57 HydrophobicContact CD2-CE3 3.34Å; F41-W57 AromaticContact CD2-CZ3 3.32Å; F41-W57 HydrophobicContact CD2-CZ3 3.32Å; F41-W57 HydrophobicContact CE1-CB 3.98Å; F41-W57 HydrophobicContact CE1-CD2 4.5Å; F41-W57 AromaticContact CE1-CE3 3.76Å; F41-W57 HydrophobicContact CE1-CE3 3.76Å; F41-W57 HydrophobicContact CE2-CD2 4.47Å; F41-W57 AromaticContact CE2-CE3 3.29Å; F41-W57 HydrophobicContact CE2-CE3 3.29Å; F41-W57 HydrophobicContact CE2-CH2 4.47Å; F41-W57 AromaticContact CE2-CZ3 3.29Å; F41-W57 HydrophobicContact CE2-CZ3 3.29Å; F41-W57 AromaticContact CG-CE3 3.59Å; F41-W57 HydrophobicContact CG-CE3 3.59Å; F41-W57 HydrophobicContact CG-CZ3 4.01Å; F41-W57 HydrophobicContact CZ-CD2 4.36Å; F41-W57 AromaticContact CZ-CE3 3.5Å; F41-W57 HydrophobicContact CZ-CE3 3.5Å; F41-W57 VanDerWaalsContact CZ-CE3 3.5Å; F41-W57 AromaticContact CZ-CZ3 3.97Å; F41-W57 HydrophobicContact CZ-CZ3 3.97Å; F41-V125 HydrophobicContact CB-CB 4.46Å; F41-V125 HydrophobicContact CB-CG1 4.49Å; F41-V125 HydrophobicContact CB-CG2 4.05Å; F41-V126 PolarHBondContact O-N 2.91Å
42	I	89.2	Confident	72.8	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	146.2	171.4	75.8	164.3	0	0	0	110.9	L44 P55 I56 I58 L67 L98 V126 V128	I42-L44 HydrophobicContact CD1-CD2 4.34Å; I42-L44 HydrophobicContact CD1-CG 4.44Å; I42-P55 CarbonylContact O-C 3.56Å; I42-P55 VanDerWaalsContact O-CA 3.3Å; I42-P55 WeakPolarHBondContact O-CA 3.23Å; I42-I56 PolarHBondContact N-O 3.05Å; I42-I56 PolarHBondContact O-N 3.14Å; I42-I58 HydrophobicContact CD1-CD1 3.54Å; I42-I58 HydrophobicContact CD1-CG1 4.47Å; I42-I58 HydrophobicContact CG1-CD1 3.79Å; I42-I58 HydrophobicContact CG1-CG1 4.33Å; I42-L67 HydrophobicContact CD1-CD2 3.99Å; I42-L98 HydrophobicContact CG2-CD2 3.83Å; I42-V126 CarbonylContact C-O 3.55Å; I42-V126 VanDerWaalsContact CA-O 3.25Å; I42-V126 WeakPolarHBondContact CA-O 3.02Å; I42-V126 HydrophobicContact CG2-CB 4.31Å; I42-V128 HydrophobicContact CB-CG2 4.11Å; I42-V128 HydrophobicContact CD1-CG2 4.34Å; I42-V128 HydrophobicContact CG2-CG2 4.34Å
43	Q	91	Very high	75.5	Confident	11 Å²	11	69 Å²	69	5%	0.051	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	119.6	169	-179.5	62	48.2	0	0	108.8	T45 E51 V52 G53 P55 V125 V126 V128	Q43-T45 HydrophobicContact CG-CG2 4.16Å; Q43-E51 HydrophobicContact CG-CB 4.41Å; Q43-E51 HydrophobicContact CG-CG 3.81Å; Q43-V52 PolarHBondContact NE2-O 3.36Å; Q43-G53 PolarHBondContact NE2-O 2.89Å; Q43-P55 VanDerWaalsContact OE1-CG 3.27Å; Q43-V125 HydrophobicContact CB-CG1 3.57Å; Q43-V126 PolarHBondContact N-O 2.77Å; Q43-V128 PolarHBondContact O-N 3.44Å
44	L	91.5	Very high	78.2	Confident	3 Å²	3	67.7 Å²	67.7	2%	0.016	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	132.6	175.8	-70.1	170.3	0	0	0	109.8	I42 V52 L70 L71 L74 F87 V128 Y130	I42-L44 HydrophobicContact CD1-CD2 4.34Å; I42-L44 HydrophobicContact CD1-CG 4.44Å; L44-V52 PolarHBondContact O-N 3.45Å; L44-L70 HydrophobicContact CD1-CD2 3.53Å; L44-L71 HydrophobicContact CD1-CB 4.31Å; L44-L71 HydrophobicContact CD1-CD1 4.07Å; L44-L74 HydrophobicContact CD1-CD1 3.84Å; L44-F87 HydrophobicContact CD2-CD1 4.02Å; L44-F87 HydrophobicContact CD2-CE1 3.92Å; L44-V128 WeakPolarHBondContact CA-O 3.39Å; L44-V128 HydrophobicContact CD2-CB 4.08Å; L44-V128 HydrophobicContact CD2-CG1 4.06Å; L44-Y130 HydrophobicContact CB-CD1 4.21Å; L44-Y130 HydrophobicContact CB-CE1 4.37Å
45	T	90.7	Very high	80.9	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	143	-179.7	52.4	0	0	0	0	111	Q43 N50 E51 K127 V128 T129 Y130	Q43-T45 HydrophobicContact CG-CG2 4.16Å; T45-N50 CarbonylContact C-O 3.52Å; T45-N50 WeakPolarHBondContact CA-O 3.38Å; T45-E51 HydrophobicContact CG2-CB 4.32Å; T45-E51 HydrophobicContact CG2-CG 3.41Å; T45-E51 VanDerWaalsContact CG2-CG 3.41Å; T45-K127 HydrophobicContact CG2-CD 3.99Å; T45-K127 VanDerWaalsContact CG2-CE 3.43Å; T45-K127 HydrophobicContact CG2-CG 3.85Å; T45-K127 VanDerWaalsContact OG1-CE 3.28Å; T45-K127 WeakPolarHBondContact OG1-CE 3.18Å; T45-K127 WeakPolarHBondContact OG1-CG 3.19Å; T45-V128 PolarHBondContact N-O 3.39Å; T45-V128 PolarHBondContact OG1-O 2.79Å; T45-T129 CarbonylContact O-C 3.54Å; T45-T129 WeakPolarHBondContact O-CA 3.49Å; T45-T129 VanDerWaalsContact OG1-CG2 3.31Å; T45-T129 WeakPolarHBondContact OG1-CG2 3.45Å; T45-Y130 VanDerWaalsContact C-CE1 3.41Å; T45-Y130 WeakPolarHBondContact O-CD1 3.2Å; T45-Y130 WeakPolarHBondContact O-CE1 3.18Å; T45-Y130 PolarHBondContact O-N 3.32Å
46	D	86.1	Confident	83.2	Confident	28 Å²	28	54.7 Å²	54.7	15%	0.15	32%	0.318	C	S	.	.			trans	-75.8	177.8	172.5	69.4	14.6	0	0	0	111.4	D48 G49 N50 Y130	D46-D48 PolarHBondContact O-N 3.25Å; D46-D48 VanDerWaalsContact OD1-C 3.25Å; D46-D48 VanDerWaalsContact OD1-CA 3.3Å; D46-D48 WeakPolarHBondContact OD1-CA 3.45Å; D46-D48 WeakPolarHBondContact OD1-CB 3.43Å; D46-D48 PolarHBondContact OD1-N 3.05Å; D46-G49 PolarHBondContact O-N 3.4Å; D46-G49 PolarHBondContact OD1-N 2.83Å; D46-N50 PolarHBondContact N-O 2.87Å; D46-N50 PolarHBondContact OD1-N 3.2Å; D46-N50 WeakPolarHBondContact OD2-CB 3.41Å; D46-N50 PolarHBondContact OD2-ND2 2.88Å; D46-Y130 HydrophobicContact CB-CE1 4.29Å; D46-Y130 HydrophobicContact CB-CE2 4.12Å
47	S	80.5	Confident	84.9	Confident	67 Å²	67	54.7 Å²	54.7	47%	0.469	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-15.2	175.8	53.6	0	0	0	0	114.4
48	D	78.4	Confident	86	Confident	61 Å²	61	47.7 Å²	47.7	33%	0.326	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-4.6	177.7	-64	-34.2	0	0	0	111.6	D46 S398	D46-D48 PolarHBondContact O-N 3.25Å; D46-D48 VanDerWaalsContact OD1-C 3.25Å; D46-D48 VanDerWaalsContact OD1-CA 3.3Å; D46-D48 WeakPolarHBondContact OD1-CA 3.45Å; D46-D48 WeakPolarHBondContact OD1-CB 3.43Å; D46-D48 PolarHBondContact OD1-N 3.05Å; D48-S398 WeakPolarHBondContact CB-OG 3.28Å; D48-S398 VanDerWaalsContact CG-CB 3.5Å; D48-S398 VanDerWaalsContact OD1-CB 3.24Å; D48-S398 WeakPolarHBondContact OD1-CB 3.17Å; D48-S398 PolarHBondContact OD1-N 3.2Å; D48-S398 VanDerWaalsContact OD1-N 3.14Å; D48-S398 PolarHBondContact OD1-OG 3.43Å
49	G	81.9	Confident	86.6	Confident	35 Å²	35	44.4 Å²	44.4	36%	0.361	26%	0.259	S	S	.	.			trans	91.5	1.8	177.8	0	0	0	0	0	114.8	D46	D46-G49 PolarHBondContact O-N 3.4Å; D46-G49 PolarHBondContact OD1-N 2.83Å
50	N	86.5	Confident	86.7	Confident	99 Å²	99	43.8 Å²	43.8	53%	0.529	25%	0.253	S	S	.	.			trans	-71.9	132.6	177.4	-51.8	-56.2	0	0	0	110.2	T45 D46	T45-N50 CarbonylContact C-O 3.52Å; T45-N50 WeakPolarHBondContact CA-O 3.38Å; D46-N50 PolarHBondContact N-O 2.87Å; D46-N50 PolarHBondContact OD1-N 3.2Å; D46-N50 WeakPolarHBondContact OD2-CB 3.41Å; D46-N50 PolarHBondContact OD2-ND2 2.88Å
51	E	89.7	Confident	86.8	Confident	131 Å²	131	47 Å²	47	61%	0.612	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	133.1	-179.8	-76.9	168.4	-169.4	0	0	111.3	Q43 T45	Q43-E51 HydrophobicContact CG-CB 4.41Å; Q43-E51 HydrophobicContact CG-CG 3.81Å; T45-E51 HydrophobicContact CG2-CB 4.32Å; T45-E51 HydrophobicContact CG2-CG 3.41Å; T45-E51 VanDerWaalsContact CG2-CG 3.41Å
52	V	87.2	Confident	86.8	Confident	22 Å²	22	43.3 Å²	43.3	13%	0.133	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	119.8	174.1	176.3	0	0	0	0	109.6	Q43 L44 L71 L74 L75 Y130	Q43-V52 PolarHBondContact NE2-O 3.36Å; L44-V52 PolarHBondContact O-N 3.45Å; V52-L71 HydrophobicContact CG1-CD1 4.25Å; V52-L74 HydrophobicContact CG1-CB 4.04Å; V52-L75 HydrophobicContact CG1-CD2 4Å; V52-L75 HydrophobicContact CG1-CG 4.41Å; V52-L75 HydrophobicContact CG2-CD2 4.07Å; V52-Y130 HydrophobicContact CB-CE1 4.34Å; V52-Y130 HydrophobicContact CG2-CE1 3.82Å; V52-Y130 WeakPolarHBondContact CG2-OH 3.08Å
53	G	84.7	Confident	86.7	Confident	49 Å²	49	45.7 Å²	45.7	51%	0.505	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	67.5	-175.8	179.5	0	0	0	0	0	113.6	Q43	Q43-G53 PolarHBondContact NE2-O 2.89Å
54	T	87.6	Confident	86.6	Confident	88 Å²	88	49.3 Å²	49.3	54%	0.54	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	161.4	173.4	53.7	0	0	0	0	111	I56	T54-I56 WeakPolarHBondContact O-CG1 3.39Å; T54-I56 PolarHBondContact O-N 3.43Å
55	P	88.8	Confident	86.4	Confident	62 Å²	62	52.3 Å²	52.3	40%	0.403	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	132.8	175.2	-25.2	32.9	0	0	0	112.2	F41 I42 Q43 V125	F41-P55 HydrophobicContact CD1-CB 4.41Å; I42-P55 CarbonylContact O-C 3.56Å; I42-P55 VanDerWaalsContact O-CA 3.3Å; I42-P55 WeakPolarHBondContact O-CA 3.23Å; Q43-P55 VanDerWaalsContact OE1-CG 3.27Å; P55-V125 HydrophobicContact CB-CG1 4.02Å; P55-V125 HydrophobicContact CB-CG2 4.26Å; P55-V125 HydrophobicContact CG-CG1 4.27Å; P55-V125 HydrophobicContact CG-CG2 4.4Å
56	I	88.6	Confident	86.3	Confident	13 Å²	13	55.7 Å²	55.7	7%	0.067	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	135.9	-173.2	-48.6	-179.9	0	0	0	109.5	L17 F41 I42 T54 I58 L70 L74	L17-I56 HydrophobicContact CD2-CG2 3.7Å; F41-I56 CarbonylContact C-O 3.58Å; F41-I56 WeakPolarHBondContact CA-O 3.08Å; I42-I56 PolarHBondContact N-O 3.05Å; I42-I56 PolarHBondContact O-N 3.14Å; T54-I56 WeakPolarHBondContact O-CG1 3.39Å; T54-I56 PolarHBondContact O-N 3.43Å; I56-I58 HydrophobicContact CB-CD1 4.12Å; I56-I58 HydrophobicContact CB-CG1 4.12Å; I56-I58 HydrophobicContact CG2-CD1 3.91Å; I56-I58 HydrophobicContact CG2-CG1 3.68Å; I56-L70 HydrophobicContact CD1-CD2 4.04Å; I56-L74 HydrophobicContact CD1-CD1 3.56Å; I56-L74 HydrophobicContact CD1-CD2 4.16Å; I56-L74 HydrophobicContact CD1-CG 4.39Å
57	W	87.3	Confident	86.5	Confident	105 Å²	105	54.4 Å²	54.4	40%	0.398	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	114.6	174.4	-172.4	-98.5	0	0	0	110.7	S39 F41 L122	S39-W57 VanDerWaalsContact OG-CE2 3.31Å; S39-W57 WeakPolarHBondContact OG-CZ2 3.49Å; S39-W57 PolarHBondContact OG-NE1 3.47Å; S39-W57 VanDerWaalsContact OG-NE1 3.16Å; F41-W57 HydrophobicContact CB-CE3 4.4Å; F41-W57 HydrophobicContact CD1-CB 4.24Å; F41-W57 AromaticContact CD1-CE3 3.8Å; F41-W57 HydrophobicContact CD1-CE3 3.8Å; F41-W57 AromaticContact CD2-CE3 3.34Å; F41-W57 HydrophobicContact CD2-CE3 3.34Å; F41-W57 AromaticContact CD2-CZ3 3.32Å; F41-W57 HydrophobicContact CD2-CZ3 3.32Å; F41-W57 HydrophobicContact CE1-CB 3.98Å; F41-W57 HydrophobicContact CE1-CD2 4.5Å; F41-W57 AromaticContact CE1-CE3 3.76Å; F41-W57 HydrophobicContact CE1-CE3 3.76Å; F41-W57 HydrophobicContact CE2-CD2 4.47Å; F41-W57 AromaticContact CE2-CE3 3.29Å; F41-W57 HydrophobicContact CE2-CE3 3.29Å; F41-W57 HydrophobicContact CE2-CH2 4.47Å; F41-W57 AromaticContact CE2-CZ3 3.29Å; F41-W57 HydrophobicContact CE2-CZ3 3.29Å; F41-W57 AromaticContact CG-CE3 3.59Å; F41-W57 HydrophobicContact CG-CE3 3.59Å; F41-W57 HydrophobicContact CG-CZ3 4.01Å; F41-W57 HydrophobicContact CZ-CD2 4.36Å; F41-W57 AromaticContact CZ-CE3 3.5Å; F41-W57 HydrophobicContact CZ-CE3 3.5Å; F41-W57 VanDerWaalsContact CZ-CE3 3.5Å; F41-W57 AromaticContact CZ-CZ3 3.97Å; F41-W57 HydrophobicContact CZ-CZ3 3.97Å; W57-L122 HydrophobicContact CH2-CB 4.42Å; W57-L122 HydrophobicContact CH2-CD2 3.36Å; W57-L122 HydrophobicContact CH2-CG 4.42Å; W57-L122 HydrophobicContact CZ2-CD2 3.87Å; W57-L122 HydrophobicContact CZ3-CD2 4.34Å
58	I	87.1	Confident	86.9	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	141.3	-171.9	-60.3	-173.4	0	0	0	110.8	L20 S39 S40 I42 I56 V62 L70	L20-I58 HydrophobicContact CD1-CB 4.5Å; L20-I58 HydrophobicContact CD1-CD1 4.13Å; L20-I58 HydrophobicContact CD1-CG1 4Å; L20-I58 HydrophobicContact CD1-CG2 3.95Å; S39-I58 WeakPolarHBondContact CA-O 3.43Å; S39-I58 WeakPolarHBondContact CB-O 3.46Å; S40-I58 PolarHBondContact N-O 2.95Å; S40-I58 PolarHBondContact O-N 3.12Å; I42-I58 HydrophobicContact CD1-CD1 3.54Å; I42-I58 HydrophobicContact CD1-CG1 4.47Å; I42-I58 HydrophobicContact CG1-CD1 3.79Å; I42-I58 HydrophobicContact CG1-CG1 4.33Å; I56-I58 HydrophobicContact CB-CD1 4.12Å; I56-I58 HydrophobicContact CB-CG1 4.12Å; I56-I58 HydrophobicContact CG2-CD1 3.91Å; I56-I58 HydrophobicContact CG2-CG1 3.68Å; I58-V62 HydrophobicContact CG2-CB 4.01Å; I58-V62 HydrophobicContact CG2-CG1 4.3Å; I58-V62 HydrophobicContact CG2-CG2 3.48Å; I58-V62 VanDerWaalsContact CG2-CG2 3.48Å; I58-L70 HydrophobicContact CD1-CD1 3.46Å; I58-L70 VanDerWaalsContact CD1-CD1 3.46Å; I58-L70 HydrophobicContact CG1-CD1 4.48Å
59	P	88.2	Confident	87.3	Confident	34 Å²	34	52.6 Å²	52.6	22%	0.221	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	145.7	169.5	-25.2	36.5	0	0	0	113.3	D61 V62	P59-D61 VanDerWaalsContact C-N 3.3Å; P59-D61 WeakPolarHBondContact CB-OD1 3.27Å; P59-D61 PolarHBondContact O-N 3.44Å; P59-V62 HydrophobicContact CB-CG2 4.2Å; P59-V62 WeakPolarHBondContact O-CG2 3.29Å
60	L	84.8	Confident	87.6	Confident	14 Å²	14	51 Å²	51	7%	0.073	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-11.8	-178.4	-65	-173.1	0	0	0	114.2	E38 V62 L98 K99 L102	E38-L60 HydrophobicContact CB-CB 4.42Å; E38-L60 HydrophobicContact CB-CD1 3.7Å; E38-L60 HydrophobicContact CB-CG 4.14Å; E38-L60 WeakPolarHBondContact O-CB 3.42Å; E38-L60 WeakPolarHBondContact O-CG 3.45Å; E38-L60 PolarHBondContact O-N 3.08Å; L60-V62 PolarHBondContact O-N 3.44Å; L60-L98 HydrophobicContact CD2-CD2 3.82Å; L60-L98 HydrophobicContact CD2-CG 4.13Å; L60-L98 PolarHBondContact O-N 2.81Å; L60-K99 HydrophobicContact CB-CB 3.94Å; L60-K99 WeakPolarHBondContact O-CB 3.42Å; L60-K99 PolarHBondContact O-N 3.25Å; L60-L102 HydrophobicContact CD1-CD1 4.34Å; L60-L102 HydrophobicContact CD2-CD1 3.54Å
61	D	85.7	Confident	87.7	Confident	85 Å²	85	46.2 Å²	46.2	46%	0.455	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	6.3	175.8	64.9	-29.3	0	0	0	113.2	P59 D63	P59-D61 VanDerWaalsContact C-N 3.3Å; P59-D61 WeakPolarHBondContact CB-OD1 3.27Å; P59-D61 PolarHBondContact O-N 3.44Å; D61-D63 PolarHBondContact O-N 2.86Å
62	V	87.4	Confident	87.6	Confident	3 Å²	3	40.3 Å²	40.3	2%	0.018	23%	0.225	C	C	.	.			trans	-71.5	127.6	179.6	177.5	0	0	0	0	110.6	L20 I58 P59 L60 K66 L67 D97 L98	L20-V62 HydrophobicContact CD2-CG1 3.91Å; L20-V62 HydrophobicContact CD2-CG2 3.74Å; I58-V62 HydrophobicContact CG2-CB 4.01Å; I58-V62 HydrophobicContact CG2-CG1 4.3Å; I58-V62 HydrophobicContact CG2-CG2 3.48Å; I58-V62 VanDerWaalsContact CG2-CG2 3.48Å; P59-V62 HydrophobicContact CB-CG2 4.2Å; P59-V62 WeakPolarHBondContact O-CG2 3.29Å; L60-V62 PolarHBondContact O-N 3.44Å; V62-K66 HydrophobicContact CG1-CB 3.64Å; V62-K66 HydrophobicContact CG1-CD 4.37Å; V62-L67 HydrophobicContact CG1-CD2 3.93Å; V62-L67 HydrophobicContact CG1-CG 3.79Å; V62-D97 WeakPolarHBondContact O-CA 3.31Å; V62-L98 PolarHBondContact O-N 2.85Å
63	D	87.5	Confident	87.5	Confident	49 Å²	49	41.6 Å²	41.6	26%	0.262	23%	0.231	S	C	.	.	B	Isolated β-bridge	trans	-87.4	173.1	178.9	64.8	36	0	0	0	112.4	D61 S65 K66 L67 D96	D61-D63 PolarHBondContact O-N 2.86Å; D63-S65 VanDerWaalsContact C-N 3.3Å; D63-S65 PolarHBondContact O-N 3.16Å; D63-S65 WeakPolarHBondContact OD1-CA 3.32Å; D63-S65 WeakPolarHBondContact OD1-CB 3.21Å; D63-S65 PolarHBondContact OD1-N 3.44Å; D63-S65 PolarHBondContact OD1-OG 3.01Å; D63-S65 PolarHBondContact OD2-OG 3.41Å; D63-K66 PolarHBondContact O-N 2.8Å; D63-K66 WeakPolarHBondContact OD1-CB 3.38Å; D63-K66 WeakPolarHBondContact OD1-CG 3.36Å; D63-K66 PolarHBondContact OD1-N 3.24Å; D63-L67 PolarHBondContact O-N 2.91Å; D63-L67 VanDerWaalsContact O-N 3.13Å; D63-D96 WeakPolarHBondContact CA-O 3.31Å; D63-D96 WeakPolarHBondContact CB-O 3.4Å
64	R	87.9	Confident	87.5	Confident	87 Å²	87	41.1 Å²	41.1	33%	0.328	22%	0.217	S	C	.	.	H	α-helix	trans	-60.4	-35.9	178.5	-179.2	177.4	66.7	153.1	6.4	113.4	T68 Y85 D86 F87 Q133	R64-T68 WeakPolarHBondContact O-CB 3.36Å; R64-T68 PolarHBondContact O-N 2.82Å; R64-T68 PolarHBondContact O-OG1 2.93Å; R64-Y85 WeakPolarHBondContact CD-O 3.14Å; R64-Y85 WeakPolarHBondContact CG-O 3.35Å; R64-D86 IonicContact NH1-OD1 3.54Å; R64-D86 PolarHBondContact NH1-OD1 3.14Å; R64-F87 HydrophobicContact CG-CD2 4.04Å; R64-F87 HydrophobicContact CG-CE2 4.29Å; R64-Q133 VanDerWaalsContact NH1-NE2 3.2Å
65	S	87	Confident	87.3	Confident	67 Å²	67	38.8 Å²	38.8	47%	0.469	20%	0.201	S	C	.	.	H	α-helix	trans	-64.8	-50.4	179.8	21.9	0	0	0	0	111.1	D63 L67 T68 D69	D63-S65 VanDerWaalsContact C-N 3.3Å; D63-S65 PolarHBondContact O-N 3.16Å; D63-S65 WeakPolarHBondContact OD1-CA 3.32Å; D63-S65 WeakPolarHBondContact OD1-CB 3.21Å; D63-S65 PolarHBondContact OD1-N 3.44Å; D63-S65 PolarHBondContact OD1-OG 3.01Å; D63-S65 PolarHBondContact OD2-OG 3.41Å; S65-L67 VanDerWaalsContact C-N 3.31Å; S65-L67 PolarHBondContact O-N 3.34Å; S65-T68 WeakPolarHBondContact O-CA 3.41Å; S65-T68 VanDerWaalsContact O-CB 3.22Å; S65-T68 WeakPolarHBondContact O-CB 3.43Å; S65-T68 PolarHBondContact O-N 2.96Å; S65-D69 PolarHBondContact O-N 3.4Å
66	K	89.9	Confident	86.7	Confident	71 Å²	71	43.7 Å²	43.7	31%	0.309	22%	0.218	S	C	.	.	H	α-helix	trans	-61.8	-37.8	178.1	-69.5	176.3	-174.9	-179.8	0	112.3	L20 V62 D63 T68 D69 L70	L20-K66 HydrophobicContact CD2-CB 4.04Å; L20-K66 HydrophobicContact CD2-CD 4.36Å; V62-K66 HydrophobicContact CG1-CB 3.64Å; V62-K66 HydrophobicContact CG1-CD 4.37Å; D63-K66 PolarHBondContact O-N 2.8Å; D63-K66 WeakPolarHBondContact OD1-CB 3.38Å; D63-K66 WeakPolarHBondContact OD1-CG 3.36Å; D63-K66 PolarHBondContact OD1-N 3.24Å; K66-T68 VanDerWaalsContact C-N 3.32Å; K66-D69 PolarHBondContact O-N 3.46Å; K66-L70 WeakPolarHBondContact O-CB 3.4Å; K66-L70 PolarHBondContact O-N 3.32Å
67	L	89.5	Confident	85.5	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-65.6	-35.1	172.3	-72.1	176.1	0	0	0	112.5	I42 V62 D63 S65 L71 F87 I94	I42-L67 HydrophobicContact CD1-CD2 3.99Å; V62-L67 HydrophobicContact CG1-CD2 3.93Å; V62-L67 HydrophobicContact CG1-CG 3.79Å; D63-L67 PolarHBondContact O-N 2.91Å; D63-L67 VanDerWaalsContact O-N 3.13Å; S65-L67 VanDerWaalsContact C-N 3.31Å; S65-L67 PolarHBondContact O-N 3.34Å; L67-L71 VanDerWaalsContact O-CB 3.28Å; L67-L71 WeakPolarHBondContact O-CB 3.45Å; L67-L71 PolarHBondContact O-N 3.47Å; L67-F87 HydrophobicContact CB-CD1 4.24Å; L67-F87 HydrophobicContact CB-CD2 3.79Å; L67-F87 HydrophobicContact CB-CE1 3.92Å; L67-F87 HydrophobicContact CB-CE2 3.45Å; L67-F87 VanDerWaalsContact CB-CE2 3.45Å; L67-F87 HydrophobicContact CB-CG 4.19Å; L67-F87 HydrophobicContact CB-CZ 3.53Å; L67-F87 HydrophobicContact CD1-CB 4.23Å; L67-F87 HydrophobicContact CD1-CD1 4.3Å; L67-F87 HydrophobicContact CD1-CD2 4.06Å; L67-F87 HydrophobicContact CD1-CG 3.94Å; L67-F87 VanDerWaalsContact O-CZ 3.28Å; L67-F87 WeakPolarHBondContact O-CZ 2.95Å; L67-I94 HydrophobicContact CD1-CD1 4.04Å
68	T	88.9	Confident	84.1	Confident	15 Å²	15	54.5 Å²	54.5	9%	0.092	27%	0.267	C	S	.	.	H	α-helix	trans	-64.9	-45.6	176	-58.8	0	0	0	0	110.4	R64 S65 K66 L71 S72 L83 Y85	R64-T68 WeakPolarHBondContact O-CB 3.36Å; R64-T68 PolarHBondContact O-N 2.82Å; R64-T68 PolarHBondContact O-OG1 2.93Å; S65-T68 WeakPolarHBondContact O-CA 3.41Å; S65-T68 VanDerWaalsContact O-CB 3.22Å; S65-T68 WeakPolarHBondContact O-CB 3.43Å; S65-T68 PolarHBondContact O-N 2.96Å; K66-T68 VanDerWaalsContact C-N 3.32Å; T68-L71 PolarHBondContact O-N 2.93Å; T68-S72 WeakPolarHBondContact O-CB 3.28Å; T68-S72 PolarHBondContact O-N 2.84Å; T68-S72 PolarHBondContact O-OG 2.83Å; T68-L83 WeakPolarHBondContact CG2-O 3.27Å; T68-Y85 HydrophobicContact CG2-CD2 3.9Å
69	D	87.2	Confident	82.8	Confident	75 Å²	75	61 Å²	61	40%	0.401	30%	0.302	S	S	.	.	H	α-helix	trans	-63	-49.1	178.3	-60.7	-22.8	0	0	0	110.2	S65 K66 L71 S72 D73	S65-D69 PolarHBondContact O-N 3.4Å; K66-D69 PolarHBondContact O-N 3.46Å; D69-L71 PolarHBondContact O-N 3.48Å; D69-S72 VanDerWaalsContact O-CB 3.32Å; D69-S72 WeakPolarHBondContact O-CB 3.29Å; D69-S72 PolarHBondContact O-N 2.91Å; D69-D73 PolarHBondContact O-N 3.24Å
70	L	89.2	Confident	81.1	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-59.4	-44.4	177.8	179.7	150.8	0	0	0	112.7	L20 L44 I56 I58 K66 S72 D73 L74	L20-L70 HydrophobicContact CD1-CD1 3.74Å; L20-L70 HydrophobicContact CG-CD1 4.44Å; L44-L70 HydrophobicContact CD1-CD2 3.53Å; I56-L70 HydrophobicContact CD1-CD2 4.04Å; I58-L70 HydrophobicContact CD1-CD1 3.46Å; I58-L70 VanDerWaalsContact CD1-CD1 3.46Å; I58-L70 HydrophobicContact CG1-CD1 4.48Å; K66-L70 WeakPolarHBondContact O-CB 3.4Å; K66-L70 PolarHBondContact O-N 3.32Å; L70-S72 VanDerWaalsContact C-N 3.29Å; L70-S72 PolarHBondContact O-N 2.95Å; L70-D73 PolarHBondContact O-N 3.3Å; L70-L74 HydrophobicContact CD2-CD1 3.54Å; L70-L74 HydrophobicContact CD2-CG 4.32Å; L70-L74 HydrophobicContact CG-CD1 4.46Å; L70-L74 WeakPolarHBondContact O-CG 3.21Å; L70-L74 PolarHBondContact O-N 3.3Å; L70-L74 VanDerWaalsContact O-N 3.09Å
71	L	88.2	Confident	79.5	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-64.5	-37.8	176.9	175.8	65.1	0	0	0	111.3	L44 V52 L67 T68 D69 D73 L74 L75 Y85 F87 Y130	L44-L71 HydrophobicContact CD1-CB 4.31Å; L44-L71 HydrophobicContact CD1-CD1 4.07Å; V52-L71 HydrophobicContact CG1-CD1 4.25Å; L67-L71 VanDerWaalsContact O-CB 3.28Å; L67-L71 WeakPolarHBondContact O-CB 3.45Å; L67-L71 PolarHBondContact O-N 3.47Å; T68-L71 PolarHBondContact O-N 2.93Å; D69-L71 PolarHBondContact O-N 3.48Å; L71-D73 VanDerWaalsContact C-N 3.34Å; L71-L74 PolarHBondContact O-N 2.75Å; L71-L75 HydrophobicContact CD1-CD1 3.92Å; L71-L75 HydrophobicContact CD1-CG 4.05Å; L71-L75 HydrophobicContact CG-CD1 3.89Å; L71-L75 HydrophobicContact CG-CG 4.4Å; L71-L75 WeakPolarHBondContact O-CB 3.43Å; L71-L75 WeakPolarHBondContact O-CG 3.11Å; L71-L75 PolarHBondContact O-N 2.7Å; L71-Y85 HydrophobicContact CD2-CD1 3.79Å; L71-Y85 HydrophobicContact CD2-CD2 3.66Å; L71-Y85 HydrophobicContact CD2-CE1 4.01Å; L71-Y85 HydrophobicContact CD2-CE2 3.9Å; L71-Y85 HydrophobicContact CD2-CG 3.62Å; L71-Y85 HydrophobicContact CG-CD2 4.5Å; L71-Y85 HydrophobicContact CG-CE2 4.44Å; L71-F87 HydrophobicContact CB-CE1 4.37Å; L71-F87 HydrophobicContact CB-CZ 4.28Å; L71-F87 HydrophobicContact CD2-CE1 3.97Å; L71-F87 HydrophobicContact CD2-CZ 4.06Å; L71-Y130 HydrophobicContact CD1-CD1 3.88Å; L71-Y130 HydrophobicContact CD1-CD2 4.47Å; L71-Y130 HydrophobicContact CD1-CE1 3.67Å; L71-Y130 HydrophobicContact CD1-CE2 4.3Å; L71-Y130 HydrophobicContact CD1-CG 4.28Å; L71-Y130 HydrophobicContact CD2-CD1 3.88Å; L71-Y130 HydrophobicContact CD2-CD2 3.41Å; L71-Y130 VanDerWaalsContact CD2-CD2 3.41Å; L71-Y130 HydrophobicContact CD2-CE1 4.29Å; L71-Y130 HydrophobicContact CD2-CE2 3.87Å; L71-Y130 HydrophobicContact CD2-CG 3.43Å; L71-Y130 VanDerWaalsContact CD2-CG 3.43Å
72	S	86.1	Confident	78.6	Confident	6 Å²	6	66.4 Å²	66.4	4%	0.042	33%	0.329	C	S	.	.	H	α-helix	trans	-62.4	-42.8	178.4	-63.7	0	0	0	0	111.5	T68 D69 L70 L75 Q76	T68-S72 WeakPolarHBondContact O-CB 3.28Å; T68-S72 PolarHBondContact O-N 2.84Å; T68-S72 PolarHBondContact O-OG 2.83Å; D69-S72 VanDerWaalsContact O-CB 3.32Å; D69-S72 WeakPolarHBondContact O-CB 3.29Å; D69-S72 PolarHBondContact O-N 2.91Å; L70-S72 VanDerWaalsContact C-N 3.29Å; L70-S72 PolarHBondContact O-N 2.95Å; S72-L75 PolarHBondContact O-N 3.24Å; S72-Q76 PolarHBondContact O-N 3.3Å
73	D	85.1	Confident	78.1	Confident	50 Å²	50	68.1 Å²	68.1	27%	0.267	34%	0.338	S	S	.	.	H	α-helix	trans	-65.3	-43.4	176.4	-66.9	-20.1	0	0	0	112.2	A16 H19 D69 L70 L71 L75 Q76	A16-D73 HydrophobicContact CB-CB 3.85Å; H19-D73 IonicContact CD2-OD2 3.72Å; H19-D73 PolarHBondContact CD2-OD2 3.1Å; H19-D73 IonicContact NE2-OD2 3.83Å; H19-D73 PolarHBondContact NE2-OD2 3.23Å; D69-D73 PolarHBondContact O-N 3.24Å; L70-D73 PolarHBondContact O-N 3.3Å; L71-D73 VanDerWaalsContact C-N 3.34Å; D73-L75 VanDerWaalsContact C-N 3.31Å; D73-L75 PolarHBondContact O-N 3.08Å; D73-Q76 PolarHBondContact O-N 3.3Å
74	L	86.1	Confident	78	Confident	38 Å²	38	68.8 Å²	68.8	20%	0.199	34%	0.344	C	S	.	.	H	α-helix	trans	-64.4	-35	178	-70.9	173.4	0	0	0	113	L44 V52 I56 L70 L71 Q76	L44-L74 HydrophobicContact CD1-CD1 3.84Å; V52-L74 HydrophobicContact CG1-CB 4.04Å; I56-L74 HydrophobicContact CD1-CD1 3.56Å; I56-L74 HydrophobicContact CD1-CD2 4.16Å; I56-L74 HydrophobicContact CD1-CG 4.39Å; L70-L74 HydrophobicContact CD2-CD1 3.54Å; L70-L74 HydrophobicContact CD2-CG 4.32Å; L70-L74 HydrophobicContact CG-CD1 4.46Å; L70-L74 WeakPolarHBondContact O-CG 3.21Å; L70-L74 PolarHBondContact O-N 3.3Å; L70-L74 VanDerWaalsContact O-N 3.09Å; L71-L74 PolarHBondContact O-N 2.75Å; L74-Q76 VanDerWaalsContact C-N 3.27Å; L74-Q76 PolarHBondContact O-N 3.25Å
75	L	83.5	Confident	77.9	Confident	39 Å²	39	64.9 Å²	64.9	20%	0.204	33%	0.329	C	S	.	.	H	α-helix	trans	-76.5	-13.1	179.6	-73.7	173.7	0	0	0	113.1	V52 L71 S72 D73 R77	V52-L75 HydrophobicContact CG1-CD2 4Å; V52-L75 HydrophobicContact CG1-CG 4.41Å; V52-L75 HydrophobicContact CG2-CD2 4.07Å; L71-L75 HydrophobicContact CD1-CD1 3.92Å; L71-L75 HydrophobicContact CD1-CG 4.05Å; L71-L75 HydrophobicContact CG-CD1 3.89Å; L71-L75 HydrophobicContact CG-CG 4.4Å; L71-L75 WeakPolarHBondContact O-CB 3.43Å; L71-L75 WeakPolarHBondContact O-CG 3.11Å; L71-L75 PolarHBondContact O-N 2.7Å; S72-L75 PolarHBondContact O-N 3.24Å; D73-L75 VanDerWaalsContact C-N 3.31Å; D73-L75 PolarHBondContact O-N 3.08Å; L75-R77 HydrophobicContact CB-CG 4.31Å; L75-R77 PolarHBondContact O-N 3.49Å
76	Q	75	Confident	77.9	Confident	166 Å²	166	62.5 Å²	62.5	78%	0.776	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.9	29.8	-178.7	-60.9	-177.6	1.7	0	0	113.9	S72 D73 L74	S72-Q76 PolarHBondContact O-N 3.3Å; D73-Q76 PolarHBondContact O-N 3.3Å; L74-Q76 VanDerWaalsContact C-N 3.27Å; L74-Q76 PolarHBondContact O-N 3.25Å
77	R	64.5	Low	77.9	Confident	146 Å²	146	59.1 Å²	59.1	55%	0.551	30%	0.297	S	S	*	.			trans	-84	125	179.5	-72.4	177.9	178.3	179.1	-0.7	108.8	L75 D79 A80	L75-R77 HydrophobicContact CB-CG 4.31Å; L75-R77 PolarHBondContact O-N 3.49Å; R77-D79 PolarHBondContact O-N 2.76Å; R77-D79 VanDerWaalsContact O-N 3.13Å; R77-A80 HydrophobicContact CB-CB 3.95Å; R77-A80 WeakPolarHBondContact O-CB 3.26Å; R77-A80 PolarHBondContact O-N 3.16Å
78	E	58.2	Low	77.8	Confident	199 Å²	199	59.5 Å²	59.5	93%	0.93	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-28.2	174.7	-64.7	-176.7	162.3	0	0	111.9
79	D	59	Low	77.6	Confident	137 Å²	137	59.4 Å²	59.4	73%	0.733	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	2.1	176.8	-61	-35.2	0	0	0	114.4	R77 H81 S82	R77-D79 PolarHBondContact O-N 2.76Å; R77-D79 VanDerWaalsContact O-N 3.13Å; D79-H81 VanDerWaalsContact C-N 3.25Å; D79-H81 PolarHBondContact O-N 3.19Å; D79-S82 PolarHBondContact O-N 3.39Å
80	A	52.2	Low	77.2	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-61.3	-32.7	-169.2	0	0	0	0	0	113.3	R77 S82 L83	R77-A80 HydrophobicContact CB-CB 3.95Å; R77-A80 WeakPolarHBondContact O-CB 3.26Å; R77-A80 PolarHBondContact O-N 3.16Å; A80-S82 PolarHBondContact O-N 3.18Å; A80-L83 PolarHBondContact O-N 3.46Å
81	H	50.7	Low	76.4	Confident	166 Å²	166	61.6 Å²	61.6	77%	0.769	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-65.4	-8.2	-172.5	-65.1	11.9	0	0	0	114.1	D79	D79-H81 VanDerWaalsContact C-N 3.25Å; D79-H81 PolarHBondContact O-N 3.19Å
82	S	67.8	Low	76	Confident	80 Å²	80	61.9 Å²	61.9	56%	0.559	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-98.1	-17.1	176.3	-167.9	0	0	0	0	113.8	D79 A80	D79-S82 PolarHBondContact O-N 3.39Å; A80-S82 PolarHBondContact O-N 3.18Å
83	L	77.2	Confident	75.9	Confident	39 Å²	39	62 Å²	62	20%	0.204	32%	0.323	C	S	.	.			trans	-88.3	129.9	-174.4	-64.5	178.4	0	0	0	111.2	T68 A80 Y85 V135	T68-L83 WeakPolarHBondContact CG2-O 3.27Å; A80-L83 PolarHBondContact O-N 3.46Å; L83-Y85 HydrophobicContact CB-CE2 3.91Å; L83-Y85 WeakPolarHBondContact CD1-OH 3.28Å; L83-V135 HydrophobicContact CD2-CG2 3.59Å
84	T	84.1	Confident	75.9	Confident	63 Å²	63	59.6 Å²	59.6	39%	0.387	31%	0.31	S	S	.	.			trans	-100.8	136	171.4	49.7	0	0	0	0	109.1	Q133	T84-Q133 WeakPolarHBondContact O-CB 3.38Å; T84-Q133 PolarHBondContact O-N 3.35Å; T84-Q133 PolarHBondContact OG1-OE1 2.84Å
85	Y	87.2	Confident	75.7	Confident	5 Å²	5	59.5 Å²	59.5	2%	0.02	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	145.2	-179	-63	-84.6	0	0	0	111	R64 T68 L71 L83 Y130 Q131 A132	R64-Y85 WeakPolarHBondContact CD-O 3.14Å; R64-Y85 WeakPolarHBondContact CG-O 3.35Å; T68-Y85 HydrophobicContact CG2-CD2 3.9Å; L71-Y85 HydrophobicContact CD2-CD1 3.79Å; L71-Y85 HydrophobicContact CD2-CD2 3.66Å; L71-Y85 HydrophobicContact CD2-CE1 4.01Å; L71-Y85 HydrophobicContact CD2-CE2 3.9Å; L71-Y85 HydrophobicContact CD2-CG 3.62Å; L71-Y85 HydrophobicContact CG-CD2 4.5Å; L71-Y85 HydrophobicContact CG-CE2 4.44Å; L83-Y85 HydrophobicContact CB-CE2 3.91Å; L83-Y85 WeakPolarHBondContact CD1-OH 3.28Å; Y85-Y130 AromaticContact CD1-CD2 3.84Å; Y85-Y130 HydrophobicContact CD1-CD2 3.84Å; Y85-Y130 HydrophobicContact CE1-CD2 4.09Å; Y85-Y130 HydrophobicContact CE1-CE2 4.35Å; Y85-Q131 CarbonylContact C-O 3.58Å; Y85-Q131 WeakPolarHBondContact CA-O 3.46Å; Y85-A132 HydrophobicContact CD1-CB 4Å; Y85-A132 HydrophobicContact CE1-CB 3.8Å
86	D	86.6	Confident	75.6	Confident	17 Å²	17	61.7 Å²	61.7	9%	0.091	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	135.4	161.7	-74.9	-36.2	0	0	0	109.2	R64 F88 Q93 Y130 Q131 Q133	R64-D86 IonicContact NH1-OD1 3.54Å; R64-D86 PolarHBondContact NH1-OD1 3.14Å; D86-F88 HydrophobicContact CB-CE2 3.8Å; D86-F88 HydrophobicContact CB-CZ 4.11Å; D86-Q93 PolarHBondContact OD1-NE2 2.85Å; D86-Q93 PolarHBondContact OD2-NE2 2.86Å; D86-Y130 CarbonylContact O-C 3.55Å; D86-Y130 VanDerWaalsContact O-CA 3.31Å; D86-Y130 WeakPolarHBondContact O-CA 3.02Å; D86-Q131 PolarHBondContact N-O 3.21Å; D86-Q131 PolarHBondContact O-N 3.42Å; D86-Q133 PolarHBondContact OD1-NE2 3.48Å; D86-Q133 WeakPolarHBondContact OD2-CG 3.3Å; D86-Q133 PolarHBondContact OD2-NE2 3.34Å
87	F	90.4	Very high	76.1	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	146.2	178.9	-59.6	-91.6	0	0	0	109.9	L44 R64 L67 L71 Q93 I94 V128 T129	L44-F87 HydrophobicContact CD2-CD1 4.02Å; L44-F87 HydrophobicContact CD2-CE1 3.92Å; R64-F87 HydrophobicContact CG-CD2 4.04Å; R64-F87 HydrophobicContact CG-CE2 4.29Å; L67-F87 HydrophobicContact CB-CD1 4.24Å; L67-F87 HydrophobicContact CB-CD2 3.79Å; L67-F87 HydrophobicContact CB-CE1 3.92Å; L67-F87 HydrophobicContact CB-CE2 3.45Å; L67-F87 VanDerWaalsContact CB-CE2 3.45Å; L67-F87 HydrophobicContact CB-CG 4.19Å; L67-F87 HydrophobicContact CB-CZ 3.53Å; L67-F87 HydrophobicContact CD1-CB 4.23Å; L67-F87 HydrophobicContact CD1-CD1 4.3Å; L67-F87 HydrophobicContact CD1-CD2 4.06Å; L67-F87 HydrophobicContact CD1-CG 3.94Å; L67-F87 VanDerWaalsContact O-CZ 3.28Å; L67-F87 WeakPolarHBondContact O-CZ 2.95Å; L71-F87 HydrophobicContact CB-CE1 4.37Å; L71-F87 HydrophobicContact CB-CZ 4.28Å; L71-F87 HydrophobicContact CD2-CE1 3.97Å; L71-F87 HydrophobicContact CD2-CZ 4.06Å; F87-Q93 CarbonylContact O-C 3.54Å; F87-Q93 WeakPolarHBondContact O-CA 3.36Å; F87-I94 HydrophobicContact CB-CB 4.28Å; F87-I94 HydrophobicContact CB-CD1 3.58Å; F87-I94 HydrophobicContact CB-CG1 4.39Å; F87-I94 PolarHBondContact O-N 2.86Å; F87-V128 HydrophobicContact CB-CG1 3.85Å; F87-V128 HydrophobicContact CD1-CG1 3.92Å; F87-V128 HydrophobicContact CG-CG1 4.34Å; F87-T129 CarbonylContact C-O 3.54Å; F87-T129 WeakPolarHBondContact CA-O 3.48Å
88	F	86.4	Confident	77.1	Confident	8 Å²	8	48.8 Å²	48.8	4%	0.035	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	144.1	179.3	-51.4	-106.3	0	0	0	110.5	D86 V92 Q93 V128 T129 Q131	D86-F88 HydrophobicContact CB-CE2 3.8Å; D86-F88 HydrophobicContact CB-CZ 4.11Å; F88-V92 CarbonylContact C-O 3.51Å; F88-V92 WeakPolarHBondContact CA-O 3.42Å; F88-Q93 VanDerWaalsContact CD1-CA 3.5Å; F88-Q93 HydrophobicContact CD1-CB 3.61Å; F88-Q93 HydrophobicContact CD1-CG 4.04Å; F88-Q93 HydrophobicContact CE1-CB 3.56Å; F88-Q93 HydrophobicContact CE1-CG 3.73Å; F88-Q93 HydrophobicContact CG-CB 4.49Å; F88-Q93 HydrophobicContact CZ-CB 4.41Å; F88-Q93 HydrophobicContact CZ-CG 4.08Å; F88-V128 CarbonylContact O-C 3.56Å; F88-V128 WeakPolarHBondContact O-CA 3.45Å; F88-T129 WeakPolarHBondContact CB-OG1 3.4Å; F88-T129 PolarHBondContact N-O 3.38Å; F88-T129 PolarHBondContact O-N 3.33Å; F88-T129 PolarHBondContact O-OG1 3.15Å; F88-Q131 HydrophobicContact CE2-CB 4.28Å
89	V	86.1	Confident	78.3	Confident	12 Å²	12	42.8 Å²	42.8	7%	0.073	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	105.4	168.2	-178.5	0	0	0	0	107	D91 V92 I94 L98 A101 L102 A105 V126 V128	V89-D91 PolarHBondContact O-N 3.25Å; V89-V92 PolarHBondContact N-O 3.36Å; V89-V92 PolarHBondContact O-N 2.87Å; V89-I94 HydrophobicContact CG2-CD1 3.94Å; V89-I94 HydrophobicContact CG2-CG1 4.2Å; V89-L98 HydrophobicContact CG2-CD1 3.88Å; V89-A101 HydrophobicContact CG2-CB 4.42Å; V89-L102 HydrophobicContact CG1-CD2 3.95Å; V89-A105 HydrophobicContact CG1-CB 4.07Å; V89-V126 HydrophobicContact CG1-CG1 3.99Å; V89-V126 HydrophobicContact CG2-CG1 4.35Å; V89-V128 HydrophobicContact CG2-CG2 4.28Å
90	G	78.6	Confident	79.4	Confident	52 Å²	52	38 Å²	38	54%	0.536	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	-121.6	-165	0	0	0	0	0	110.6
91	D	72.5	Confident	80.8	Confident	71 Å²	71	38 Å²	38	38%	0.38	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-1.1	179.4	-61.2	-33.3	0	0	0	114.2	V89	V89-D91 PolarHBondContact O-N 3.25Å
92	V	78.7	Confident	82.3	Confident	5 Å²	5	30.7 Å²	30.7	3%	0.03	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	119.7	-175.7	-179.9	0	0	0	0	110.4	F88 V89 A101 Q104 A105 K108	F88-V92 CarbonylContact C-O 3.51Å; F88-V92 WeakPolarHBondContact CA-O 3.42Å; V89-V92 PolarHBondContact N-O 3.36Å; V89-V92 PolarHBondContact O-N 2.87Å; V92-A101 HydrophobicContact CG1-CB 4.32Å; V92-Q104 HydrophobicContact CG1-CB 3.9Å; V92-Q104 VanDerWaalsContact CG1-OE1 3.28Å; V92-Q104 HydrophobicContact CG2-CB 4.32Å; V92-A105 HydrophobicContact CG2-CB 4.24Å; V92-K108 HydrophobicContact CG2-CD 3.95Å
93	Q	83.3	Confident	82.8	Confident	8 Å²	8	30.8 Å²	30.8	4%	0.037	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	136.9	172.2	-168.7	-179.3	0.3	0	0	111.2	D86 F87 F88 L95 Q511	D86-Q93 PolarHBondContact OD1-NE2 2.85Å; D86-Q93 PolarHBondContact OD2-NE2 2.86Å; F87-Q93 CarbonylContact O-C 3.54Å; F87-Q93 WeakPolarHBondContact O-CA 3.36Å; F88-Q93 VanDerWaalsContact CD1-CA 3.5Å; F88-Q93 HydrophobicContact CD1-CB 3.61Å; F88-Q93 HydrophobicContact CD1-CG 4.04Å; F88-Q93 HydrophobicContact CE1-CB 3.56Å; F88-Q93 HydrophobicContact CE1-CG 3.73Å; F88-Q93 HydrophobicContact CG-CB 4.49Å; F88-Q93 HydrophobicContact CZ-CB 4.41Å; F88-Q93 HydrophobicContact CZ-CG 4.08Å; Q93-L95 HydrophobicContact CB-CD2 4.46Å; Q93-L95 HydrophobicContact CG-CD2 4.01Å; Q93-L95 PolarHBondContact O-N 2.81Å; Q93-Q511 PolarHBondContact O-NE2 3.35Å
94	I	86.3	Confident	82.6	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.167	C	C	.	.			trans	-76.2	111.7	168.9	-63.7	158.1	0	0	0	108	L67 F87 V89 L98 A101 V128	L67-I94 HydrophobicContact CD1-CD1 4.04Å; F87-I94 HydrophobicContact CB-CB 4.28Å; F87-I94 HydrophobicContact CB-CD1 3.58Å; F87-I94 HydrophobicContact CB-CG1 4.39Å; F87-I94 PolarHBondContact O-N 2.86Å; V89-I94 HydrophobicContact CG2-CD1 3.94Å; V89-I94 HydrophobicContact CG2-CG1 4.2Å; I94-L98 HydrophobicContact CD1-CD1 3.7Å; I94-L98 HydrophobicContact CG1-CD1 4.37Å; I94-A101 HydrophobicContact CB-CB 4.24Å; I94-A101 HydrophobicContact CG1-CB 3.44Å; I94-A101 VanDerWaalsContact CG1-CB 3.44Å; I94-V128 HydrophobicContact CD1-CG1 3.99Å
95	L	82.4	Confident	82.1	Confident	37 Å²	37	27.3 Å²	27.3	19%	0.194	16%	0.158	C	C	.	.	S	Bend	trans	-101.2	-51	177.1	-64.4	-173.4	0	0	0	112.2	Q93 R507 R508 Q511	Q93-L95 HydrophobicContact CB-CD2 4.46Å; Q93-L95 HydrophobicContact CG-CD2 4.01Å; Q93-L95 PolarHBondContact O-N 2.81Å; L95-R507 HydrophobicContact CD1-CB 4.37Å; L95-R508 HydrophobicContact CD1-CB 3.97Å; L95-R508 HydrophobicContact CD1-CG 4.39Å; L95-Q511 VanDerWaalsContact CD1-CD 3.44Å; L95-Q511 HydrophobicContact CD1-CG 4.25Å
96	D	81.3	Confident	81.3	Confident	84 Å²	84	33.6 Å²	33.6	45%	0.449	18%	0.181	S	C	.	.	S	Bend	trans	-101.3	-70.6	-177.7	-62.1	-41.9	0	0	0	110.4	D63 R508	D63-D96 WeakPolarHBondContact CA-O 3.31Å; D63-D96 WeakPolarHBondContact CB-O 3.4Å; D96-R508 IonicContact OD1-NH2 3.47Å
97	D	85.5	Confident	80.5	Confident	41 Å²	41	36.5 Å²	36.5	22%	0.219	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-136.9	163.2	-179.5	63.8	8.5	0	0	0	112.2	V62 K99 T100 A101	V62-D97 WeakPolarHBondContact O-CA 3.31Å; D97-K99 PolarHBondContact O-N 3.05Å; D97-T100 PolarHBondContact O-OG1 3.2Å; D97-T100 WeakPolarHBondContact OD1-CA 3.32Å; D97-T100 WeakPolarHBondContact OD1-CB 3.46Å; D97-T100 WeakPolarHBondContact OD1-CG2 3.45Å; D97-T100 PolarHBondContact OD1-N 3.1Å; D97-T100 PolarHBondContact OD1-OG1 3.41Å; D97-A101 PolarHBondContact O-N 3.15Å
98	L	85.6	Confident	79.3	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.7	-34	176.9	-178.4	63.1	0	0	0	111.7	I42 L60 V62 V89 I94 A101 L102 V128	I42-L98 HydrophobicContact CG2-CD2 3.83Å; L60-L98 HydrophobicContact CD2-CD2 3.82Å; L60-L98 HydrophobicContact CD2-CG 4.13Å; L60-L98 PolarHBondContact O-N 2.81Å; V62-L98 PolarHBondContact O-N 2.85Å; V89-L98 HydrophobicContact CG2-CD1 3.88Å; I94-L98 HydrophobicContact CD1-CD1 3.7Å; I94-L98 HydrophobicContact CG1-CD1 4.37Å; L98-A101 PolarHBondContact O-N 2.93Å; L98-L102 HydrophobicContact CD1-CD1 4.35Å; L98-L102 HydrophobicContact CD1-CG 4.38Å; L98-L102 HydrophobicContact CG-CD1 3.93Å; L98-L102 HydrophobicContact CG-CG 4.42Å; L98-L102 WeakPolarHBondContact O-CB 3.18Å; L98-L102 WeakPolarHBondContact O-CG 3.4Å; L98-L102 PolarHBondContact O-N 2.65Å; L98-V128 HydrophobicContact CD1-CG2 4.31Å
99	K	83.4	Confident	77.9	Confident	73 Å²	73	42.4 Å²	42.4	32%	0.317	25%	0.245	S	C	.	.	H	α-helix	trans	-58.2	-52.8	178.3	-176.4	165.4	175.1	149.5	0	112.3	E38 L60 D97 A101 L102 I103	E38-K99 IonicContact OE1-NZ 3.15Å; E38-K99 PolarHBondContact OE1-NZ 3.04Å; E38-K99 VanDerWaalsContact OE1-NZ 3.08Å; E38-K99 VanDerWaalsContact OE2-CE 3.28Å; E38-K99 WeakPolarHBondContact OE2-CE 3.46Å; E38-K99 IonicContact OE2-NZ 3.85Å; E38-K99 PolarHBondContact OE2-NZ 3.02Å; L60-K99 HydrophobicContact CB-CB 3.94Å; L60-K99 WeakPolarHBondContact O-CB 3.42Å; L60-K99 PolarHBondContact O-N 3.25Å; D97-K99 PolarHBondContact O-N 3.05Å; K99-A101 VanDerWaalsContact C-N 3.34Å; K99-A101 PolarHBondContact O-N 3.39Å; K99-L102 PolarHBondContact O-N 3.23Å; K99-I103 HydrophobicContact CG-CD1 3.88Å; K99-I103 VanDerWaalsContact O-CG1 3.27Å; K99-I103 WeakPolarHBondContact O-CG1 3.25Å; K99-I103 PolarHBondContact O-N 2.82Å
100	T	81.5	Confident	76.1	Confident	36 Å²	36	47 Å²	47	22%	0.221	27%	0.274	C	S	.	.	H	α-helix	trans	-63.7	-41.1	-179.8	54.4	0	0	0	0	111.2	D97 L102 I103 Q104	D97-T100 PolarHBondContact O-OG1 3.2Å; D97-T100 WeakPolarHBondContact OD1-CA 3.32Å; D97-T100 WeakPolarHBondContact OD1-CB 3.46Å; D97-T100 WeakPolarHBondContact OD1-CG2 3.45Å; D97-T100 PolarHBondContact OD1-N 3.1Å; D97-T100 PolarHBondContact OD1-OG1 3.41Å; T100-L102 PolarHBondContact O-N 3.07Å; T100-I103 PolarHBondContact O-N 3.35Å; T100-Q104 WeakPolarHBondContact O-CB 3.3Å; T100-Q104 WeakPolarHBondContact O-CG 3.32Å; T100-Q104 PolarHBondContact O-N 3.37Å
101	A	81.9	Confident	74.5	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-61.9	-42.6	176.5	0	0	0	0	0	111.9	V89 V92 I94 D97 L98 K99 Q104 A105	V89-A101 HydrophobicContact CG2-CB 4.42Å; V92-A101 HydrophobicContact CG1-CB 4.32Å; I94-A101 HydrophobicContact CB-CB 4.24Å; I94-A101 HydrophobicContact CG1-CB 3.44Å; I94-A101 VanDerWaalsContact CG1-CB 3.44Å; D97-A101 PolarHBondContact O-N 3.15Å; L98-A101 PolarHBondContact O-N 2.93Å; K99-A101 VanDerWaalsContact C-N 3.34Å; K99-A101 PolarHBondContact O-N 3.39Å; A101-Q104 PolarHBondContact O-N 2.56Å; A101-A105 WeakPolarHBondContact O-CB 3.41Å; A101-A105 PolarHBondContact O-N 3.23Å
102	L	81.4	Confident	73.2	Confident	14 Å²	14	51.8 Å²	51.8	7%	0.073	30%	0.295	C	S	.	.	H	α-helix	trans	-64	-43.8	175	-78.6	167.2	0	0	0	112.3	L60 V89 L98 K99 T100 Q104 A105 R106 V126	L60-L102 HydrophobicContact CD1-CD1 4.34Å; L60-L102 HydrophobicContact CD2-CD1 3.54Å; V89-L102 HydrophobicContact CG1-CD2 3.95Å; L98-L102 HydrophobicContact CD1-CD1 4.35Å; L98-L102 HydrophobicContact CD1-CG 4.38Å; L98-L102 HydrophobicContact CG-CD1 3.93Å; L98-L102 HydrophobicContact CG-CG 4.42Å; L98-L102 WeakPolarHBondContact O-CB 3.18Å; L98-L102 WeakPolarHBondContact O-CG 3.4Å; L98-L102 PolarHBondContact O-N 2.65Å; K99-L102 PolarHBondContact O-N 3.23Å; T100-L102 PolarHBondContact O-N 3.07Å; L102-Q104 VanDerWaalsContact C-N 3.27Å; L102-Q104 PolarHBondContact O-N 2.99Å; L102-A105 PolarHBondContact O-N 3.44Å; L102-R106 WeakPolarHBondContact O-CB 3.26Å; L102-R106 WeakPolarHBondContact O-CG 3.28Å; L102-R106 PolarHBondContact O-N 2.85Å; L102-V126 HydrophobicContact CD2-CG1 3.82Å; L102-V126 HydrophobicContact CD2-CG2 3.93Å
103	I	77.9	Confident	71.7	Confident	82 Å²	82	55.8 Å²	55.8	42%	0.421	32%	0.323	S	S	.	.	H	α-helix	trans	-60.9	-39.3	176.3	-67.6	165.1	0	0	0	110.8	K99 T100 R106 S107	K99-I103 HydrophobicContact CG-CD1 3.88Å; K99-I103 VanDerWaalsContact O-CG1 3.27Å; K99-I103 WeakPolarHBondContact O-CG1 3.25Å; K99-I103 PolarHBondContact O-N 2.82Å; T100-I103 PolarHBondContact O-N 3.35Å; I103-R106 WeakPolarHBondContact O-CB 3.31Å; I103-R106 PolarHBondContact O-N 3.38Å; I103-S107 PolarHBondContact O-N 3.42Å
104	Q	73.8	Confident	70	Confident	7 Å²	7	60.3 Å²	60.3	3%	0.033	35%	0.347	C	S	.	.	H	α-helix	trans	-72.3	-40.3	177.4	-71.2	170.3	27	0	0	112.7	V92 T100 A101 L102 R106 S107 K108 T515	V92-Q104 HydrophobicContact CG1-CB 3.9Å; V92-Q104 VanDerWaalsContact CG1-OE1 3.28Å; V92-Q104 HydrophobicContact CG2-CB 4.32Å; T100-Q104 WeakPolarHBondContact O-CB 3.3Å; T100-Q104 WeakPolarHBondContact O-CG 3.32Å; T100-Q104 PolarHBondContact O-N 3.37Å; A101-Q104 PolarHBondContact O-N 2.56Å; L102-Q104 VanDerWaalsContact C-N 3.27Å; L102-Q104 PolarHBondContact O-N 2.99Å; Q104-R106 PolarHBondContact O-N 3.38Å; Q104-S107 PolarHBondContact O-N 3.03Å; Q104-S107 VanDerWaalsContact O-N 3.17Å; Q104-S107 PolarHBondContact O-OG 3.23Å; Q104-K108 PolarHBondContact O-N 3.39Å; Q104-T515 HydrophobicContact CG-CG2 4.47Å
105	A	74.3	Confident	67.8	Low	22 Å²	22	63.6 Å²	63.6	18%	0.182	37%	0.368	C	S	.	.	H	α-helix	trans	-60.6	-39.6	173.6	0	0	0	0	0	110.3	V89 V92 A101 L102 K108 G109	V89-A105 HydrophobicContact CG1-CB 4.07Å; V92-A105 HydrophobicContact CG2-CB 4.24Å; A101-A105 WeakPolarHBondContact O-CB 3.41Å; A101-A105 PolarHBondContact O-N 3.23Å; L102-A105 PolarHBondContact O-N 3.44Å; A105-K108 PolarHBondContact O-N 2.85Å; A105-G109 PolarHBondContact O-N 3.37Å
106	R	70.5	Confident	65.7	Low	137 Å²	137	71.9 Å²	71.9	52%	0.517	40%	0.403	S	S	.	.	H	α-helix	trans	-61.1	-42.1	172.8	-71.4	169	-173.3	-173.6	2.6	112.5	L102 I103 Q104 G109	L102-R106 WeakPolarHBondContact O-CB 3.26Å; L102-R106 WeakPolarHBondContact O-CG 3.28Å; L102-R106 PolarHBondContact O-N 2.85Å; I103-R106 WeakPolarHBondContact O-CB 3.31Å; I103-R106 PolarHBondContact O-N 3.38Å; Q104-R106 PolarHBondContact O-N 3.38Å; R106-G109 PolarHBondContact O-N 3.07Å
107	S	68.7	Low	64.2	Low	78 Å²	78	70.7 Å²	70.7	55%	0.545	39%	0.394	S	S	.	.	H	α-helix	trans	-73.8	-28.2	-178.1	72.7	0	0	0	0	113.5	I103 Q104 G109	I103-S107 PolarHBondContact O-N 3.42Å; Q104-S107 PolarHBondContact O-N 3.03Å; Q104-S107 VanDerWaalsContact O-N 3.17Å; Q104-S107 PolarHBondContact O-OG 3.23Å; S107-G109 VanDerWaalsContact C-N 3.31Å
108	K	65.1	Low	61.9	Low	71 Å²	71	71.1 Å²	71.1	31%	0.309	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-7	176	-78.8	-169.6	178	-174.5	0	114.6	V92 Q104 A105 T110	V92-K108 HydrophobicContact CG2-CD 3.95Å; Q104-K108 PolarHBondContact O-N 3.39Å; A105-K108 PolarHBondContact O-N 2.85Å; K108-T110 VanDerWaalsContact C-N 3.31Å; K108-T110 WeakPolarHBondContact O-CB 3.41Å; K108-T110 WeakPolarHBondContact O-CG2 2.99Å; K108-T110 PolarHBondContact O-N 3.41Å; K108-T110 PolarHBondContact O-OG1 3.41Å
109	G	57	Low	59.6	Low	60 Å²	60	77.3 Å²	77.3	62%	0.619	45%	0.451	S	S	*	.			trans	-22.1	81.8	-174.7	0	0	0	0	0	115.5	A105 R106 S107	A105-G109 PolarHBondContact O-N 3.37Å; R106-G109 PolarHBondContact O-N 3.07Å; S107-G109 VanDerWaalsContact C-N 3.31Å
110	T	49.3	Very low	57.6	Low	110 Å²	110	80 Å²	80	68%	0.675	47%	0.473	S	S	*	.			trans	-111.3	-1.4	-179.8	21.1	0	0	0	0	111	K108	K108-T110 VanDerWaalsContact C-N 3.31Å; K108-T110 WeakPolarHBondContact O-CB 3.41Å; K108-T110 WeakPolarHBondContact O-CG2 2.99Å; K108-T110 PolarHBondContact O-N 3.41Å; K108-T110 PolarHBondContact O-OG1 3.41Å
111	D	44.8	Very low	55.8	Low	86 Å²	86	80.4 Å²	80.4	46%	0.46	49%	0.485	S	S	.	.			trans	-118.1	109.5	176.4	-155.1	-25.2	0	0	0	110.7	S113 L114	D111-S113 PolarHBondContact O-N 3.28Å; D111-S113 VanDerWaalsContact O-N 3.13Å; D111-S113 WeakPolarHBondContact OD1-CB 3.2Å; D111-S113 PolarHBondContact OD1-N 3.09Å; D111-S113 PolarHBondContact OD1-OG 3.23Å; D111-S113 PolarHBondContact OD2-OG 3.47Å; D111-L114 HydrophobicContact CB-CD1 3.82Å; D111-L114 HydrophobicContact CB-CG 4.34Å; D111-L114 PolarHBondContact O-N 3.1Å
112	P	45.2	Very low	54.3	Low	137 Å²	137	85.1 Å²	85.1	89%	0.89	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-5.5	177.7	26.3	-32.1	0	0	0	113.6
113	S	47.6	Very low	53.2	Low	89 Å²	89	93.6 Å²	93.6	62%	0.622	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-13.2	175	67.9	0	0	0	0	114.4	D111	D111-S113 PolarHBondContact O-N 3.28Å; D111-S113 VanDerWaalsContact O-N 3.13Å; D111-S113 WeakPolarHBondContact OD1-CB 3.2Å; D111-S113 PolarHBondContact OD1-N 3.09Å; D111-S113 PolarHBondContact OD1-OG 3.23Å; D111-S113 PolarHBondContact OD2-OG 3.47Å
114	L	47	Very low	52.8	Low	102 Å²	102	91.2 Å²	91.2	53%	0.534	54%	0.541	S	S	.	.	S	Bend	trans	-76.1	124	177.3	-77.5	155.9	0	0	0	110.1	D111 K116	D111-L114 HydrophobicContact CB-CD1 3.82Å; D111-L114 HydrophobicContact CB-CG 4.34Å; D111-L114 PolarHBondContact O-N 3.1Å; L114-K116 PolarHBondContact O-N 3.2Å
115	P	39.7	Very low	53.3	Low	70 Å²	70	94.4 Å²	94.4	46%	0.455	56%	0.561	S	S	.	*			trans	-58	133.5	179.5	18.4	-27.2	0	0	0	110.9	F117 A124	P115-F117 HydrophobicContact CB-CE2 4.49Å; P115-F117 HydrophobicContact CG-CE2 3.81Å; P115-F117 HydrophobicContact CG-CZ 3.75Å; P115-F117 WeakPolarHBondContact O-CD2 3.22Å; P115-F117 WeakPolarHBondContact O-CE2 3.19Å; P115-F117 PolarHBondContact O-N 2.72Å; P115-A124 HydrophobicContact CG-CB 4.02Å
116	K	39.3	Very low	53.8	Low	210 Å²	210	93.9 Å²	93.9	91%	0.913	56%	0.556	S	S	*	*			trans	-64.5	100.1	173.6	-73	-178.7	-180	176.9	0	108.8	L114 G118	L114-K116 PolarHBondContact O-N 3.2Å; K116-G118 PolarHBondContact O-N 2.96Å; K116-G118 VanDerWaalsContact O-N 3.12Å
117	F	48.6	Very low	54.7	Low	60 Å²	60	92 Å²	92	26%	0.263	55%	0.551	S	S	.	*			trans	-76.3	101.9	176.4	-68.9	-79.6	0	0	0	110.7	P115 A124	P115-F117 HydrophobicContact CB-CE2 4.49Å; P115-F117 HydrophobicContact CG-CE2 3.81Å; P115-F117 HydrophobicContact CG-CZ 3.75Å; P115-F117 WeakPolarHBondContact O-CD2 3.22Å; P115-F117 WeakPolarHBondContact O-CE2 3.19Å; P115-F117 PolarHBondContact O-N 2.72Å; F117-A124 HydrophobicContact CE1-CB 3.67Å; F117-A124 HydrophobicContact CZ-CB 3.66Å
118	G	37.2	Very low	55.7	Low	49 Å²	49	88.3 Å²	88.3	51%	0.505	53%	0.525	S	S	.	.			trans	-72.9	164.5	167.6	0	0	0	0	0	111.9	K116 T120 G121	K116-G118 PolarHBondContact O-N 2.96Å; K116-G118 VanDerWaalsContact O-N 3.12Å; G118-T120 PolarHBondContact O-N 3.45Å; G118-G121 PolarHBondContact O-N 2.91Å
119	S	37.6	Very low	56.9	Low	131 Å²	131	86.7 Å²	86.7	92%	0.916	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	11.1	-174.6	46.6	0	0	0	0	116.1
120	T	41.1	Very low	58.5	Low	129 Å²	129	85 Å²	85	79%	0.791	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-145	9.8	-178.8	46.3	0	0	0	0	114.5	G118 L122	G118-T120 PolarHBondContact O-N 3.45Å; T120-L122 PolarHBondContact O-N 2.55Å
121	G	43.4	Very low	60.2	Low	44 Å²	44	81.4 Å²	81.4	45%	0.454	47%	0.472	S	S	.	.			trans	-98.3	90.4	-165.6	0	0	0	0	0	116.7	G118	G118-G121 PolarHBondContact O-N 2.91Å
122	L	51.1	Low	62.1	Low	100 Å²	100	79.8 Å²	79.8	52%	0.524	47%	0.47	S	S	.	.			trans	-89.8	18.9	-178.5	-80.8	150.9	0	0	0	115.6	S39 W57 T120	S39-L122 WeakPolarHBondContact O-CD2 3.47Å; W57-L122 HydrophobicContact CH2-CB 4.42Å; W57-L122 HydrophobicContact CH2-CD2 3.36Å; W57-L122 HydrophobicContact CH2-CG 4.42Å; W57-L122 HydrophobicContact CZ2-CD2 3.87Å; W57-L122 HydrophobicContact CZ3-CD2 4.34Å; T120-L122 PolarHBondContact O-N 2.55Å
123	E	57.8	Low	64	Low	192 Å²	192	74.6 Å²	74.6	90%	0.897	43%	0.434	S	S	*	.			trans	-110.8	-5	-167.9	-68.9	-168.1	165.4	0	0	117.5
124	A	71	Confident	65.8	Low	31 Å²	31	71.6 Å²	71.6	26%	0.256	42%	0.415	S	S	.	.	S	Bend	trans	-108.4	135.4	-179.9	0	0	0	0	0	112.8	P115 F117 V126	P115-A124 HydrophobicContact CG-CB 4.02Å; F117-A124 HydrophobicContact CE1-CB 3.67Å; F117-A124 HydrophobicContact CZ-CB 3.66Å; A124-V126 PolarHBondContact O-N 2.87Å
125	V	83.1	Confident	67.6	Low	74 Å²	74	70.9 Å²	70.9	45%	0.448	41%	0.414	S	S	.	.			trans	-74.2	120.3	178.1	-176.8	0	0	0	0	109.4	F41 Q43 P55 K127	F41-V125 HydrophobicContact CB-CB 4.46Å; F41-V125 HydrophobicContact CB-CG1 4.49Å; F41-V125 HydrophobicContact CB-CG2 4.05Å; Q43-V125 HydrophobicContact CB-CG1 3.57Å; P55-V125 HydrophobicContact CB-CG1 4.02Å; P55-V125 HydrophobicContact CB-CG2 4.26Å; P55-V125 HydrophobicContact CG-CG1 4.27Å; P55-V125 HydrophobicContact CG-CG2 4.4Å; V125-K127 PolarHBondContact O-N 2.76Å
126	V	85.2	Confident	69.9	Low	12 Å²	12	70.1 Å²	70.1	7%	0.073	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	115.7	175.8	176.6	0	0	0	0	108.9	F41 I42 Q43 V89 L102 A124 V128	F41-V126 PolarHBondContact O-N 2.91Å; I42-V126 CarbonylContact C-O 3.55Å; I42-V126 VanDerWaalsContact CA-O 3.25Å; I42-V126 WeakPolarHBondContact CA-O 3.02Å; I42-V126 HydrophobicContact CG2-CB 4.31Å; Q43-V126 PolarHBondContact N-O 2.77Å; V89-V126 HydrophobicContact CG1-CG1 3.99Å; V89-V126 HydrophobicContact CG2-CG1 4.35Å; L102-V126 HydrophobicContact CD2-CG1 3.82Å; L102-V126 HydrophobicContact CD2-CG2 3.93Å; A124-V126 PolarHBondContact O-N 2.87Å; V126-V128 HydrophobicContact CG1-CG2 4.03Å; V126-V128 PolarHBondContact O-N 3.41Å
127	K	88.7	Confident	72.3	Confident	98 Å²	98	69.7 Å²	69.7	43%	0.426	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	116.5	171.9	-174.7	163.3	173.5	146.2	0	109.9	T45 V125	T45-K127 HydrophobicContact CG2-CD 3.99Å; T45-K127 VanDerWaalsContact CG2-CE 3.43Å; T45-K127 HydrophobicContact CG2-CG 3.85Å; T45-K127 VanDerWaalsContact OG1-CE 3.28Å; T45-K127 WeakPolarHBondContact OG1-CE 3.18Å; T45-K127 WeakPolarHBondContact OG1-CG 3.19Å; V125-K127 PolarHBondContact O-N 2.76Å
128	V	90.5	Very high	74.3	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	112.7	176.8	-179.3	0	0	0	0	107.9	I42 Q43 L44 T45 F87 F88 V89 I94 L98 V126	I42-V128 HydrophobicContact CB-CG2 4.11Å; I42-V128 HydrophobicContact CD1-CG2 4.34Å; I42-V128 HydrophobicContact CG2-CG2 4.34Å; Q43-V128 PolarHBondContact O-N 3.44Å; L44-V128 WeakPolarHBondContact CA-O 3.39Å; L44-V128 HydrophobicContact CD2-CB 4.08Å; L44-V128 HydrophobicContact CD2-CG1 4.06Å; T45-V128 PolarHBondContact N-O 3.39Å; T45-V128 PolarHBondContact OG1-O 2.79Å; F87-V128 HydrophobicContact CB-CG1 3.85Å; F87-V128 HydrophobicContact CD1-CG1 3.92Å; F87-V128 HydrophobicContact CG-CG1 4.34Å; F88-V128 CarbonylContact O-C 3.56Å; F88-V128 WeakPolarHBondContact O-CA 3.45Å; V89-V128 HydrophobicContact CG2-CG2 4.28Å; I94-V128 HydrophobicContact CD1-CG1 3.99Å; L98-V128 HydrophobicContact CD1-CG2 4.31Å; V126-V128 HydrophobicContact CG1-CG2 4.03Å; V126-V128 PolarHBondContact O-N 3.41Å
129	T	89.8	Confident	77	Confident	37 Å²	37	74.3 Å²	74.3	23%	0.227	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	128.4	177	54.5	0	0	0	0	109.9	T45 F87 F88	T45-T129 CarbonylContact O-C 3.54Å; T45-T129 WeakPolarHBondContact O-CA 3.49Å; T45-T129 VanDerWaalsContact OG1-CG2 3.31Å; T45-T129 WeakPolarHBondContact OG1-CG2 3.45Å; F87-T129 CarbonylContact C-O 3.54Å; F87-T129 WeakPolarHBondContact CA-O 3.48Å; F88-T129 WeakPolarHBondContact CB-OG1 3.4Å; F88-T129 PolarHBondContact N-O 3.38Å; F88-T129 PolarHBondContact O-N 3.33Å; F88-T129 PolarHBondContact O-OG1 3.15Å
130	Y	89.9	Confident	79.7	Confident	24 Å²	24	70 Å²	70	9%	0.094	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	149	176.7	68.6	-96.2	0	0	0	111.6	L44 T45 D46 V52 L71 Y85 D86	L44-Y130 HydrophobicContact CB-CD1 4.21Å; L44-Y130 HydrophobicContact CB-CE1 4.37Å; T45-Y130 VanDerWaalsContact C-CE1 3.41Å; T45-Y130 WeakPolarHBondContact O-CD1 3.2Å; T45-Y130 WeakPolarHBondContact O-CE1 3.18Å; T45-Y130 PolarHBondContact O-N 3.32Å; D46-Y130 HydrophobicContact CB-CE1 4.29Å; D46-Y130 HydrophobicContact CB-CE2 4.12Å; V52-Y130 HydrophobicContact CB-CE1 4.34Å; V52-Y130 HydrophobicContact CG2-CE1 3.82Å; V52-Y130 WeakPolarHBondContact CG2-OH 3.08Å; L71-Y130 HydrophobicContact CD1-CD1 3.88Å; L71-Y130 HydrophobicContact CD1-CD2 4.47Å; L71-Y130 HydrophobicContact CD1-CE1 3.67Å; L71-Y130 HydrophobicContact CD1-CE2 4.3Å; L71-Y130 HydrophobicContact CD1-CG 4.28Å; L71-Y130 HydrophobicContact CD2-CD1 3.88Å; L71-Y130 HydrophobicContact CD2-CD2 3.41Å; L71-Y130 VanDerWaalsContact CD2-CD2 3.41Å; L71-Y130 HydrophobicContact CD2-CE1 4.29Å; L71-Y130 HydrophobicContact CD2-CE2 3.87Å; L71-Y130 HydrophobicContact CD2-CG 3.43Å; L71-Y130 VanDerWaalsContact CD2-CG 3.43Å; Y85-Y130 AromaticContact CD1-CD2 3.84Å; Y85-Y130 HydrophobicContact CD1-CD2 3.84Å; Y85-Y130 HydrophobicContact CE1-CD2 4.09Å; Y85-Y130 HydrophobicContact CE1-CE2 4.35Å; D86-Y130 CarbonylContact O-C 3.55Å; D86-Y130 VanDerWaalsContact O-CA 3.31Å; D86-Y130 WeakPolarHBondContact O-CA 3.02Å
131	Q	85.1	Confident	82.2	Confident	35 Å²	35	63.9 Å²	63.9	16%	0.164	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	131.1	176.7	-172.8	177.5	10.3	0	0	110	Y85 D86 F88 Q133	Y85-Q131 CarbonylContact C-O 3.58Å; Y85-Q131 WeakPolarHBondContact CA-O 3.46Å; D86-Q131 PolarHBondContact N-O 3.21Å; D86-Q131 PolarHBondContact O-N 3.42Å; F88-Q131 HydrophobicContact CE2-CB 4.28Å; Q131-Q133 PolarHBondContact O-N 2.9Å
132	A	85.4	Confident	84.6	Confident	51 Å²	51	64.4 Å²	64.4	42%	0.421	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	131.7	175.8	0	0	0	0	0	110.8	Y85	Y85-A132 HydrophobicContact CD1-CB 4Å; Y85-A132 HydrophobicContact CE1-CB 3.8Å
133	Q	85.3	Confident	86.7	Confident	28 Å²	28	65.8 Å²	65.8	13%	0.131	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-78.4	166	166.5	-62.5	-166.6	-12.3	0	0	110.7	R64 T84 D86 Q131 V135	R64-Q133 VanDerWaalsContact NH1-NE2 3.2Å; T84-Q133 WeakPolarHBondContact O-CB 3.38Å; T84-Q133 PolarHBondContact O-N 3.35Å; T84-Q133 PolarHBondContact OG1-OE1 2.84Å; D86-Q133 PolarHBondContact OD1-NE2 3.48Å; D86-Q133 WeakPolarHBondContact OD2-CG 3.3Å; D86-Q133 PolarHBondContact OD2-NE2 3.34Å; Q131-Q133 PolarHBondContact O-N 2.9Å; Q133-V135 PolarHBondContact O-N 2.96Å
134	A	84.8	Confident	88.4	Confident	26 Å²	26	58.8 Å²	58.8	22%	0.215	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-60	134.7	168.3	0	0	0	0	0	110.4	F136 D485 R487	A134-F136 HydrophobicContact CB-CD1 4.27Å; A134-F136 HydrophobicContact CB-CE1 4.01Å; A134-F136 HydrophobicContact CB-CZ 4.13Å; A134-F136 PolarHBondContact O-N 2.65Å; A134-D485 HydrophobicContact CB-CB 3.79Å; A134-R487 PolarHBondContact O-NH2 2.61Å
135	V	85.7	Confident	89.4	Confident	87 Å²	87	59.4 Å²	59.4	53%	0.527	30%	0.296	S	S	.	.	S	Bend	trans	-62.6	-29.5	178.3	-170.1	0	0	0	0	111.4	L83 Q133	L83-V135 HydrophobicContact CD2-CG2 3.59Å; Q133-V135 PolarHBondContact O-N 2.96Å
136	F	87.7	Confident	89.8	Confident	54 Å²	54	56.9 Å²	56.9	24%	0.237	28%	0.282	C	S	.	.	S	Bend	trans	-99.1	167.5	175.5	65.2	-87.6	0	0	0	111.4	A134 V138 P362 A363 S484 D485 R487	A134-F136 HydrophobicContact CB-CD1 4.27Å; A134-F136 HydrophobicContact CB-CE1 4.01Å; A134-F136 HydrophobicContact CB-CZ 4.13Å; A134-F136 PolarHBondContact O-N 2.65Å; F136-V138 HydrophobicContact CD2-CG2 4.23Å; F136-V138 HydrophobicContact CE2-CG2 3.92Å; F136-P362 HydrophobicContact CE1-CB 3.85Å; F136-P362 HydrophobicContact CE2-CB 4.14Å; F136-P362 HydrophobicContact CZ-CB 3.49Å; F136-P362 VanDerWaalsContact CZ-CB 3.49Å; F136-P362 HydrophobicContact CZ-CG 4.42Å; F136-A363 HydrophobicContact CD1-CB 3.71Å; F136-A363 HydrophobicContact CE1-CB 4.02Å; F136-S484 VanDerWaalsContact CE2-OG 3.28Å; F136-S484 WeakPolarHBondContact CE2-OG 3.17Å; F136-D485 HydrophobicContact CD2-CB 4.22Å; F136-D485 HydrophobicContact CE2-CB 3.74Å; F136-D485 HydrophobicContact CZ-CB 4.33Å; F136-R487 PolarHBondContact O-NH1 3.3Å
137	R	88.9	Confident	90.1	Very high	201 Å²	201	59.1 Å²	59.1	76%	0.758	30%	0.298	S	S	*	.			trans	-132.1	127.1	176.6	-173.6	171.2	-179.2	177.1	-0.2	111.2
138	V	92.3	Very high	90.2	Very high	9 Å²	9	54.7 Å²	54.7	6%	0.055	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-82.1	130.6	176.1	-179.2	0	0	0	0	108.9	F136 S484 D485 W566 G570	F136-V138 HydrophobicContact CD2-CG2 4.23Å; F136-V138 HydrophobicContact CE2-CG2 3.92Å; V138-S484 WeakPolarHBondContact CG2-OG 3.47Å; V138-D485 HydrophobicContact CG2-CB 4.01Å; V138-D485 PolarHBondContact N-OD2 2.86Å; V138-W566 HydrophobicContact CG1-CH2 4.4Å; V138-W566 HydrophobicContact CG1-CZ2 3.52Å; V138-G570 WeakPolarHBondContact CG1-O 3.38Å
139	R	93.4	Very high	90.2	Very high	198 Å²	198	59.1 Å²	59.1	75%	0.747	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-80.1	137.6	173.9	-66.6	-177.2	-179	169.9	0.9	109.2	V141 A587	R139-V141 PolarHBondContact O-N 3.36Å; R139-A587 HydrophobicContact CB-CB 3.69Å
140	P	93.6	Very high	90.1	Very high	40 Å²	40	58.7 Å²	58.7	26%	0.26	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-64.3	137.7	176.2	29	-34.7	0	0	0	110	T142 L488 V500 L551 A587	P140-T142 WeakPolarHBondContact O-CG2 3.25Å; P140-L488 HydrophobicContact CB-CD1 3.82Å; P140-V500 HydrophobicContact CB-CG1 4.1Å; P140-L551 HydrophobicContact CB-CD1 3.98Å; P140-L551 HydrophobicContact CG-CD1 4.39Å; P140-A587 WeakPolarHBondContact O-CA 3.44Å; P140-A587 WeakPolarHBondContact O-CB 3.14Å
141	V	94	Very high	90.2	Very high	1 Å²	1	58 Å²	58	1%	0.006	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-70.8	133	174.7	-68.4	0	0	0	0	109.9	R139 V500 H552 L554 V573 W585	R139-V141 PolarHBondContact O-N 3.36Å; V141-V500 HydrophobicContact CG2-CG2 3.66Å; V141-H552 PolarHBondContact O-CD2 2.6Å; V141-L554 HydrophobicContact CG2-CD1 3.84Å; V141-V573 HydrophobicContact CB-CG2 4.47Å; V141-V573 HydrophobicContact CG1-CB 4.31Å; V141-V573 HydrophobicContact CG1-CG2 3.84Å; V141-V573 HydrophobicContact CG2-CB 4.19Å; V141-V573 HydrophobicContact CG2-CG2 3.77Å; V141-W585 HydrophobicContact CB-CB 4.01Å; V141-W585 HydrophobicContact CG1-CB 4.4Å; V141-W585 HydrophobicContact CG2-CB 4.19Å
142	T	94.3	Very high	90.6	Very high	55 Å²	55	63.9 Å²	63.9	34%	0.337	33%	0.333	S	S	.	.			trans	-117.2	-26.6	-169.3	67.5	0	0	0	0	113.5	P140 L554 R586 A587	P140-T142 WeakPolarHBondContact O-CG2 3.25Å; T142-L554 VanDerWaalsContact O-CD2 3.28Å; T142-L554 WeakPolarHBondContact O-CD2 3.33Å; T142-R586 PolarHBondContact N-O 3.08Å; T142-A587 WeakPolarHBondContact CG2-OXT 2.91Å; T142-A587 PolarHBondContact OG1-OXT 3.09Å
143	R	93.8	Very high	91	Very high	129 Å²	129	62.2 Å²	62.2	49%	0.487	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	160	-175	70.5	-177.1	-176.2	-70.3	-7.3	112.3	S145 W585 R586 A587	R143-S145 PolarHBondContact O-N 3.13Å; R143-W585 VanDerWaalsContact O-CA 3.3Å; R143-W585 WeakPolarHBondContact O-CA 3.41Å; R143-R586 PolarHBondContact N-O 2.85Å; R143-R586 PolarHBondContact O-N 2.79Å; R143-A587 PolarHBondContact NH1-O 3.38Å; R143-A587 PolarHBondContact NH1-OXT 3.28Å; R143-A587 VanDerWaalsContact NH1-OXT 3.16Å
144	C	93.6	Very high	91.5	Very high	45 Å²	45	62 Å²	62	30%	0.304	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	120.9	167.7	-167.4	0	0	0	0	108.6	S146 L584 W585	C144-S146 PolarHBondContact SG-O 2.98Å; C144-L584 CarbonylContact C-O 3.59Å; C144-L584 WeakPolarHBondContact CA-O 3.25Å; C144-W585 HydrophobicContact CB-CE3 3.81Å; C144-W585 HydrophobicContact CB-CH2 4.29Å; C144-W585 HydrophobicContact CB-CZ3 3.63Å
145	S	91.7	Very high	92.1	Very high	44 Å²	44	60.8 Å²	60.8	31%	0.308	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	-52.9	171.6	-162.2	0	0	0	0	110	R143 E184 L584	R143-S145 PolarHBondContact O-N 3.13Å; S145-E184 PolarHBondContact OG-OE1 3.39Å; S145-E184 PolarHBondContact OG-OE2 3.45Å; S145-E184 VanDerWaalsContact OG-OE2 3.09Å; S145-L584 PolarHBondContact N-O 2.66Å
146	S	91.8	Very high	92.6	Very high	20 Å²	20	59.1 Å²	59.1	14%	0.14	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	149.4	-179.7	44.1	0	0	0	0	111.6	C144 E184 K583 L584	C144-S146 PolarHBondContact SG-O 2.98Å; S146-E184 WeakPolarHBondContact CB-OE2 3.48Å; S146-E184 PolarHBondContact OG-OE2 2.95Å; S146-K583 WeakPolarHBondContact O-CA 3.41Å; S146-L584 PolarHBondContact N-O 2.68Å; S146-L584 PolarHBondContact O-N 2.91Å
147	S	93	Very high	93	Very high	59 Å²	59	57.8 Å²	57.8	41%	0.413	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	108.2	166.3	-65.5	0	0	0	0	106.8	P149 L582 K583	S147-P149 WeakPolarHBondContact O-CD 3.45Å; S147-L582 CarbonylContact C-O 3.57Å; S147-L582 WeakPolarHBondContact CA-O 3.49Å; S147-K583 PolarHBondContact OG-NZ 3.15Å
148	I	90.8	Very high	93.4	Very high	6 Å²	6	48.5 Å²	48.5	3%	0.031	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	102.6	-169.8	-39.2	175.7	0	0	0	108.5	W179 L582 L584	I148-W179 HydrophobicContact CB-CE3 4.25Å; I148-W179 HydrophobicContact CB-CZ3 4.04Å; I148-W179 HydrophobicContact CD1-CE3 4.3Å; I148-W179 HydrophobicContact CG2-CE3 3.53Å; I148-W179 HydrophobicContact CG2-CH2 4.22Å; I148-W179 HydrophobicContact CG2-CZ3 3.24Å; I148-L582 PolarHBondContact N-O 3.48Å; I148-L582 PolarHBondContact O-N 2.87Å; I148-L582 VanDerWaalsContact O-N 3.16Å; I148-L584 HydrophobicContact CD1-CD1 3.79Å; I148-L584 HydrophobicContact CD1-CG 4.05Å
149	P	90.5	Very high	93.6	Very high	93 Å²	93	49.8 Å²	49.8	60%	0.604	27%	0.269	S	S	*	.			trans	-75.6	158.4	173.5	33.5	-35.6	0	0	0	110.2	S147	S147-P149 WeakPolarHBondContact O-CD 3.45Å
150	G	87.1	Confident	93.7	Very high	27 Å²	27	40.3 Å²	40.3	28%	0.278	23%	0.234	S	C	.	.			trans	165.3	-43.2	170.5	0	0	0	0	0	113.1	R177	G150-R177 PolarHBondContact O-NH2 2.68Å
151	H	92.6	Very high	93.6	Very high	11 Å²	11	38.5 Å²	38.5	5%	0.051	22%	0.222	C	C	.	.			trans	-65.6	139.4	177.3	-77.8	-63.5	0	0	0	111.6	G153 V155 S169 S171 D173 T175 R177 W179 R580	H151-G153 VanDerWaalsContact C-N 3.34Å; H151-V155 HydrophobicContact CB-CG2 4.37Å; H151-S169 PolarHBondContact NE2-OG 2.79Å; H151-S171 WeakPolarHBondContact CE1-CB 3.34Å; H151-S171 WeakPolarHBondContact ND1-CB 3.41Å; H151-D173 WeakPolarHBondContact CA-OD2 3.07Å; H151-D173 WeakPolarHBondContact CB-OD2 3.16Å; H151-D173 IonicContact CG-OD2 2.73Å; H151-D173 IonicContact ND1-OD1 3.95Å; H151-D173 PolarHBondContact ND1-OD1 3.04Å; H151-D173 IonicContact ND1-OD2 3.41Å; H151-D173 PolarHBondContact ND1-OD2 3.04Å; H151-T175 PolarHBondContact CE1-OG1 3.47Å; H151-T175 PolarHBondContact ND1-OG1 2.78Å; H151-R177 VanDerWaalsContact CE1-CD 3.46Å; H151-R177 WeakPolarHBondContact CE1-CD 3.17Å; H151-W179 AromaticContact CD2-CZ2 3.99Å; H151-W179 AromaticContact NE2-CZ2 3.95Å; H151-R580 WeakPolarHBondContact O-CB 3.41Å
152	K	92.5	Very high	93.5	Very high	158 Å²	158	38.5 Å²	38.5	69%	0.687	22%	0.222	S	C	*	.	S	Bend	trans	-87.3	-10.1	176	-63.1	177.8	-178.5	171.8	0	111.9	D173 R580	K152-D173 HydrophobicContact CB-CB 3.89Å; K152-D173 PolarHBondContact N-OD2 3.42Å; K152-R580 WeakPolarHBondContact O-CD 3.47Å
153	G	93.7	Very high	93.1	Very high	15 Å²	15	37.1 Å²	37.1	16%	0.155	21%	0.212	C	C	.	.	S	Bend	trans	-139	173.5	-176.6	0	0	0	0	0	112	H151 V155 S171 R580	H151-G153 VanDerWaalsContact C-N 3.34Å; G153-V155 PolarHBondContact O-N 3.28Å; G153-S171 PolarHBondContact O-OG 3.24Å; G153-R580 WeakPolarHBondContact O-CB 3.22Å; G153-R580 WeakPolarHBondContact O-CG 3.06Å
154	A	96.3	Very high	92.7	Very high	24 Å²	24	31 Å²	31	20%	0.198	19%	0.19	C	C	.	.			trans	-57.8	134.2	-176.2	0	0	0	0	0	111.3	L156 S171 G172 Y562 G577	A154-L156 HydrophobicContact CB-CD2 4.17Å; A154-L156 PolarHBondContact O-N 2.76Å; A154-S171 CarbonylContact O-C 3.57Å; A154-S171 VanDerWaalsContact O-CA 3.26Å; A154-S171 WeakPolarHBondContact O-CA 2.98Å; A154-S171 WeakPolarHBondContact O-CB 3.22Å; A154-S171 PolarHBondContact O-OG 3.19Å; A154-G172 PolarHBondContact O-N 2.79Å; A154-Y562 HydrophobicContact CB-CD2 4.47Å; A154-Y562 HydrophobicContact CB-CE2 4.35Å; A154-G577 WeakPolarHBondContact CA-O 3.15Å
155	V	96.9	Very high	92.1	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	116	173.3	-173.7	0	0	0	0	107.4	H151 G153 A563 G577 L582	H151-V155 HydrophobicContact CB-CG2 4.37Å; G153-V155 PolarHBondContact O-N 3.28Å; V155-A563 HydrophobicContact CG1-CB 4.16Å; V155-G577 PolarHBondContact N-O 2.9Å; V155-L582 HydrophobicContact CB-CD1 4.46Å; V155-L582 HydrophobicContact CG1-CD1 3.99Å; V155-L582 HydrophobicContact CG1-CG 4.3Å; V155-L582 HydrophobicContact CG2-CD1 3.63Å; V155-L582 HydrophobicContact CG2-CG 4.4Å
156	L	96.4	Very high	91.9	Very high	53 Å²	53	30 Å²	30	28%	0.277	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-29.4	-173.6	-59.3	-179	0	0	0	112	A154 G170 P197 L199 Y562	A154-L156 HydrophobicContact CB-CD2 4.17Å; A154-L156 PolarHBondContact O-N 2.76Å; L156-G170 PolarHBondContact N-O 3.23Å; L156-P197 HydrophobicContact CD1-CB 4.27Å; L156-L199 HydrophobicContact CD1-CD2 3.72Å; L156-Y562 HydrophobicContact CD2-CD2 4.3Å
157	V	96.8	Very high	91.9	Very high	25 Å²	25	29 Å²	29	15%	0.152	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	142	-178.9	58.2	0	0	0	0	109.6	S169 G170 L201	V157-S169 CarbonylContact O-C 3.57Å; V157-S169 VanDerWaalsContact O-CA 3.27Å; V157-S169 WeakPolarHBondContact O-CA 3.31Å; V157-G170 PolarHBondContact N-O 2.91Å; V157-G170 PolarHBondContact O-N 3.28Å; V157-L201 HydrophobicContact CG1-CB 4.37Å; V157-L201 HydrophobicContact CG1-CD1 3.92Å; V157-L201 HydrophobicContact CG1-CG 3.66Å; V157-L201 HydrophobicContact CG2-CB 4.05Å; V157-L201 HydrophobicContact CG2-CD1 4.35Å; V157-L201 HydrophobicContact CG2-CG 4.19Å
158	A	96.6	Very high	92	Very high	6 Å²	6	26.2 Å²	26.2	5%	0.05	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	136.9	172.9	0	0	0	0	0	107.9	A168 A563 V574 L582	A158-A168 CarbonylContact C-O 3.57Å; A158-A168 VanDerWaalsContact CA-O 3.29Å; A158-A168 WeakPolarHBondContact CA-O 3.45Å; A158-A563 HydrophobicContact CB-CB 3.89Å; A158-V574 HydrophobicContact CB-CG1 3.96Å; A158-V574 HydrophobicContact CB-CG2 4.08Å; A158-L582 HydrophobicContact CB-CD2 4.32Å
159	Q	96.7	Very high	92.2	Very high	36 Å²	36	26 Å²	26	17%	0.168	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	131	-177.8	-162.3	-178.4	22.7	0	0	111.1	A168 L201 W203 D565	Q159-A168 PolarHBondContact N-O 2.81Å; Q159-A168 PolarHBondContact O-N 2.88Å; Q159-L201 PolarHBondContact OE1-O 3.45Å; Q159-W203 PolarHBondContact O-NE1 3.12Å; Q159-D565 VanDerWaalsContact CA-OD2 3.31Å; Q159-D565 WeakPolarHBondContact CA-OD2 3.33Å
160	F	94.7	Very high	92.4	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	145.4	169.1	-69.6	-79.2	0	0	0	111.2	S166 L167 L181 R356 D565 S567 V574 L584	F160-S166 WeakPolarHBondContact CA-O 3.27Å; F160-L167 HydrophobicContact CD1-CB 4.08Å; F160-L167 HydrophobicContact CD1-CD1 4.11Å; F160-L167 HydrophobicContact CD2-CD1 4.48Å; F160-L167 HydrophobicContact CE1-CB 4.17Å; F160-L167 HydrophobicContact CE1-CD1 4.19Å; F160-L167 HydrophobicContact CE1-CD2 4.42Å; F160-L167 HydrophobicContact CE1-CG 4.49Å; F160-L167 HydrophobicContact CG-CD1 4.26Å; F160-L167 HydrophobicContact CZ-CD1 4.41Å; F160-L181 HydrophobicContact CD1-CD1 3.68Å; F160-L181 HydrophobicContact CE1-CD1 3.61Å; F160-L181 HydrophobicContact CE1-CD2 3.74Å; F160-L181 HydrophobicContact CE1-CG 4.32Å; F160-R356 PolarHBondContact O-NH2 3.3Å; F160-D565 HydrophobicContact CD2-CB 4.08Å; F160-D565 WeakPolarHBondContact CD2-OD2 3.46Å; F160-D565 HydrophobicContact CE2-CB 4.49Å; F160-D565 PolarHBondContact N-OD2 3.44Å; F160-S567 VanDerWaalsContact CD2-N 3.29Å; F160-V574 HydrophobicContact CD2-CG1 4.01Å; F160-V574 HydrophobicContact CE2-CB 3.71Å; F160-V574 HydrophobicContact CE2-CG1 3.45Å; F160-V574 VanDerWaalsContact CE2-CG1 3.45Å; F160-V574 HydrophobicContact CZ-CB 3.75Å; F160-V574 HydrophobicContact CZ-CG1 3.99Å; F160-L584 HydrophobicContact CZ-CD2 4.25Å
161	S	92.2	Very high	92.8	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.007	11%	0.105	C	C	.	.			trans	-62.2	151.9	170.5	61.5	0	0	0	0	110.9	D163 G164 R165 S166	S161-D163 VanDerWaalsContact CB-OD1 3.26Å; S161-D163 WeakPolarHBondContact CB-OD1 3.32Å; S161-D163 PolarHBondContact O-N 2.6Å; S161-D163 PolarHBondContact OG-OD1 3.28Å; S161-G164 PolarHBondContact O-N 3.38Å; S161-R165 PolarHBondContact OG-N 2.92Å; S161-R165 VanDerWaalsContact OG-N 3.13Å; S161-S166 PolarHBondContact N-O 3.18Å; S161-S166 PolarHBondContact OG-N 2.79Å; S161-S166 PolarHBondContact OG-O 2.85Å
162	P	91.5	Very high	92.9	Very high	1 Å²	1	21 Å²	21	1%	0.006	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-33.1	179	-32.2	39	0	0	0	114.4	G164 W203 S204 A207 R356 F360 P568	P162-G164 VanDerWaalsContact C-N 3.32Å; P162-W203 HydrophobicContact CG-CB 4.03Å; P162-S204 WeakPolarHBondContact CG-O 3.4Å; P162-A207 HydrophobicContact CB-CB 4.21Å; P162-A207 HydrophobicContact CG-CB 4.27Å; P162-R356 WeakPolarHBondContact CB-O 3.29Å; P162-R356 VanDerWaalsContact CG-O 3.28Å; P162-R356 WeakPolarHBondContact CG-O 3.33Å; P162-F360 HydrophobicContact CB-CD2 3.69Å; P162-F360 HydrophobicContact CB-CE2 4.11Å; P162-P568 WeakPolarHBondContact O-CG 3.46Å
163	D	85.4	Confident	92.9	Very high	26 Å²	26	14.9 Å²	14.9	14%	0.139	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-1	177.6	68.6	-9.9	0	0	0	113.7	S161 R165 A207 F360	S161-D163 VanDerWaalsContact CB-OD1 3.26Å; S161-D163 WeakPolarHBondContact CB-OD1 3.32Å; S161-D163 PolarHBondContact O-N 2.6Å; S161-D163 PolarHBondContact OG-OD1 3.28Å; D163-R165 HydrophobicContact CB-CG 4.33Å; D163-R165 PolarHBondContact O-N 3.01Å; D163-R165 PolarHBondContact OD1-N 3.27Å; D163-R165 VanDerWaalsContact OD1-N 3.12Å; D163-R165 WeakPolarHBondContact OD2-CD 3.47Å; D163-R165 WeakPolarHBondContact OD2-CG 3.46Å; D163-R165 IonicContact OD2-CZ 3.61Å; D163-R165 IonicContact OD2-NE 3Å; D163-R165 IonicContact OD2-NH1 3.58Å; D163-R165 PolarHBondContact OD2-NH1 3.2Å; D163-A207 HydrophobicContact CB-CB 4.02Å; D163-F360 HydrophobicContact CB-CD1 3.83Å; D163-F360 HydrophobicContact CB-CD2 4.1Å; D163-F360 HydrophobicContact CB-CE1 3.85Å; D163-F360 HydrophobicContact CB-CE2 4.14Å; D163-F360 HydrophobicContact CB-CG 3.97Å; D163-F360 HydrophobicContact CB-CZ 4.01Å
164	G	86.2	Confident	92.8	Very high	2 Å²	2	17.2 Å²	17.2	2%	0.021	10%	0.097	C	C	.	.	S	Bend	trans	71.4	6.6	-179.4	0	0	0	0	0	115.2	S161 P162 L181	S161-G164 PolarHBondContact O-N 3.38Å; P162-G164 VanDerWaalsContact C-N 3.32Å; G164-L181 WeakPolarHBondContact O-CD1 3.2Å
165	R	81.6	Confident	92.7	Very high	54 Å²	54	16.7 Å²	16.7	20%	0.204	9%	0.092	C	C	.	.	S	Bend	trans	-82.8	-38.1	-174	-64.2	-170.9	-176	131.3	-18.6	114.1	S161 D163 K369 T370	S161-R165 PolarHBondContact OG-N 2.92Å; S161-R165 VanDerWaalsContact OG-N 3.13Å; D163-R165 HydrophobicContact CB-CG 4.33Å; D163-R165 PolarHBondContact O-N 3.01Å; D163-R165 PolarHBondContact OD1-N 3.27Å; D163-R165 VanDerWaalsContact OD1-N 3.12Å; D163-R165 WeakPolarHBondContact OD2-CD 3.47Å; D163-R165 WeakPolarHBondContact OD2-CG 3.46Å; D163-R165 IonicContact OD2-CZ 3.61Å; D163-R165 IonicContact OD2-NE 3Å; D163-R165 IonicContact OD2-NH1 3.58Å; D163-R165 PolarHBondContact OD2-NH1 3.2Å; R165-K369 HydrophobicContact CB-CB 4.42Å; R165-K369 HydrophobicContact CB-CD 4.14Å; R165-K369 HydrophobicContact CB-CG 4.35Å; R165-K369 HydrophobicContact CG-CB 4.09Å; R165-K369 HydrophobicContact CG-CD 4.4Å; R165-K369 HydrophobicContact CG-CG 4.08Å; R165-K369 WeakPolarHBondContact O-CD 3.43Å; R165-T370 WeakPolarHBondContact CD-O 3.21Å; R165-T370 PolarHBondContact NE-O 2.75Å; R165-T370 PolarHBondContact NH2-O 3Å
166	S	86.6	Confident	92.5	Very high	13 Å²	13	16.7 Å²	16.7	9%	0.091	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	154.2	-173	-63	0	0	0	0	110.9	F160 S161	F160-S166 WeakPolarHBondContact CA-O 3.27Å; S161-S166 PolarHBondContact N-O 3.18Å; S161-S166 PolarHBondContact OG-N 2.79Å; S161-S166 PolarHBondContact OG-O 2.85Å
167	L	92.2	Very high	92.3	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	136.4	171.4	168.1	67.5	0	0	0	108.6	F160 F178 W179 L181 V574 L582 L584	F160-L167 HydrophobicContact CD1-CB 4.08Å; F160-L167 HydrophobicContact CD1-CD1 4.11Å; F160-L167 HydrophobicContact CD2-CD1 4.48Å; F160-L167 HydrophobicContact CE1-CB 4.17Å; F160-L167 HydrophobicContact CE1-CD1 4.19Å; F160-L167 HydrophobicContact CE1-CD2 4.42Å; F160-L167 HydrophobicContact CE1-CG 4.49Å; F160-L167 HydrophobicContact CG-CD1 4.26Å; F160-L167 HydrophobicContact CZ-CD1 4.41Å; L167-F178 CarbonylContact O-C 3.51Å; L167-F178 WeakPolarHBondContact O-CA 3.17Å; L167-W179 HydrophobicContact CB-CB 4.17Å; L167-W179 HydrophobicContact CD2-CB 4.14Å; L167-W179 HydrophobicContact CD2-CG 4.17Å; L167-W179 HydrophobicContact CG-CB 4.32Å; L167-W179 HydrophobicContact CG-CG 4.32Å; L167-W179 PolarHBondContact N-O 2.8Å; L167-W179 PolarHBondContact O-N 3.14Å; L167-L181 HydrophobicContact CB-CD1 4.33Å; L167-L181 HydrophobicContact CB-CD2 3.87Å; L167-L181 HydrophobicContact CB-CG 4.18Å; L167-L181 HydrophobicContact CD2-CD2 4.13Å; L167-V574 HydrophobicContact CD1-CB 4.1Å; L167-V574 HydrophobicContact CD1-CG1 3.81Å; L167-V574 HydrophobicContact CD1-CG2 4.04Å; L167-V574 HydrophobicContact CD2-CB 4.11Å; L167-V574 HydrophobicContact CD2-CG2 3.62Å; L167-V574 HydrophobicContact CG-CG2 4.45Å; L167-L582 HydrophobicContact CD2-CD2 4.19Å; L167-L584 HydrophobicContact CD2-CD2 3.78Å
168	A	94.2	Very high	92	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	147.1	172.9	0	0	0	0	0	111.2	A158 Q159 R177 F178 L201 W203 L210	A158-A168 CarbonylContact C-O 3.57Å; A158-A168 VanDerWaalsContact CA-O 3.29Å; A158-A168 WeakPolarHBondContact CA-O 3.45Å; Q159-A168 PolarHBondContact N-O 2.81Å; Q159-A168 PolarHBondContact O-N 2.88Å; A168-R177 CarbonylContact C-O 3.58Å; A168-R177 VanDerWaalsContact CA-O 3.27Å; A168-R177 WeakPolarHBondContact CA-O 3.46Å; A168-F178 HydrophobicContact CB-CD1 4.01Å; A168-F178 HydrophobicContact CB-CE1 3.96Å; A168-L201 HydrophobicContact CB-CD1 4.07Å; A168-W203 HydrophobicContact CB-CH2 4.5Å; A168-W203 HydrophobicContact CB-CZ2 3.56Å; A168-L210 HydrophobicContact CB-CD1 4.35Å; A168-L210 HydrophobicContact CB-CD2 3.42Å; A168-L210 VanDerWaalsContact CB-CD2 3.42Å
169	S	95.8	Very high	91.6	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	143.1	174.2	62.5	0	0	0	0	112.4	H151 V157 V176 R177 W179	H151-S169 PolarHBondContact NE2-OG 2.79Å; V157-S169 CarbonylContact O-C 3.57Å; V157-S169 VanDerWaalsContact O-CA 3.27Å; V157-S169 WeakPolarHBondContact O-CA 3.31Å; S169-V176 CarbonylContact O-C 3.5Å; S169-V176 VanDerWaalsContact O-CA 3.29Å; S169-V176 WeakPolarHBondContact O-CA 3.16Å; S169-R177 PolarHBondContact N-O 2.88Å; S169-R177 PolarHBondContact O-N 3.39Å; S169-W179 PolarHBondContact OG-NE1 2.85Å
170	G	95.2	Very high	90.8	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	137	174.7	0	0	0	0	0	110.1	L156 V157	L156-G170 PolarHBondContact N-O 3.23Å; V157-G170 PolarHBondContact N-O 2.91Å; V157-G170 PolarHBondContact O-N 3.28Å
171	S	95.3	Very high	90.3	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	161.4	-174.6	171.5	0	0	0	0	113.1	H151 G153 A154 D173 Q174 T175 V198	H151-S171 WeakPolarHBondContact CE1-CB 3.34Å; H151-S171 WeakPolarHBondContact ND1-CB 3.41Å; G153-S171 PolarHBondContact O-OG 3.24Å; A154-S171 CarbonylContact O-C 3.57Å; A154-S171 VanDerWaalsContact O-CA 3.26Å; A154-S171 WeakPolarHBondContact O-CA 2.98Å; A154-S171 WeakPolarHBondContact O-CB 3.22Å; A154-S171 PolarHBondContact O-OG 3.19Å; S171-D173 WeakPolarHBondContact CB-OD1 3.43Å; S171-D173 PolarHBondContact O-N 3.26Å; S171-D173 VanDerWaalsContact OG-CG 3.31Å; S171-D173 PolarHBondContact OG-N 2.78Å; S171-D173 VanDerWaalsContact OG-N 3.15Å; S171-D173 PolarHBondContact OG-OD1 3.25Å; S171-Q174 PolarHBondContact O-N 3.2Å; S171-T175 PolarHBondContact N-O 2.69Å; S171-V198 PolarHBondContact O-N 3.02Å; S171-V198 VanDerWaalsContact O-N 3.1Å
172	G	93.8	Very high	89.7	Confident	27 Å²	27	18.7 Å²	18.7	28%	0.278	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-13.7	167.3	0	0	0	0	0	114.2	A154 Q174	A154-G172 PolarHBondContact O-N 2.79Å; G172-Q174 PolarHBondContact O-N 3.16Å
173	D	92.5	Very high	89.2	Confident	30 Å²	30	22.6 Å²	22.6	16%	0.16	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	5.1	170.7	68.7	11	0	0	0	114.6	H151 K152 S171 T175	H151-D173 WeakPolarHBondContact CA-OD2 3.07Å; H151-D173 WeakPolarHBondContact CB-OD2 3.16Å; H151-D173 IonicContact CG-OD2 2.73Å; H151-D173 IonicContact ND1-OD1 3.95Å; H151-D173 PolarHBondContact ND1-OD1 3.04Å; H151-D173 IonicContact ND1-OD2 3.41Å; H151-D173 PolarHBondContact ND1-OD2 3.04Å; K152-D173 HydrophobicContact CB-CB 3.89Å; K152-D173 PolarHBondContact N-OD2 3.42Å; S171-D173 WeakPolarHBondContact CB-OD1 3.43Å; S171-D173 PolarHBondContact O-N 3.26Å; S171-D173 VanDerWaalsContact OG-CG 3.31Å; S171-D173 PolarHBondContact OG-N 2.78Å; S171-D173 VanDerWaalsContact OG-N 3.15Å; S171-D173 PolarHBondContact OG-OD1 3.25Å; D173-T175 PolarHBondContact O-N 2.8Å; D173-T175 WeakPolarHBondContact OD1-CB 3.37Å; D173-T175 PolarHBondContact OD1-N 3.09Å; D173-T175 PolarHBondContact OD1-OG1 2.97Å; D173-T175 PolarHBondContact OD2-OG1 3.39Å
174	Q	92.2	Very high	89	Confident	63 Å²	63	23.1 Å²	23.1	29%	0.294	13%	0.126	S	C	.	.	S	Bend	trans	70.5	17.7	177.9	-36.7	172.3	15.3	0	0	113	S171 G172 H194 K195 A196	S171-Q174 PolarHBondContact O-N 3.2Å; G172-Q174 PolarHBondContact O-N 3.16Å; Q174-H194 HydrophobicContact CB-CB 4.49Å; Q174-H194 WeakPolarHBondContact CB-O 3.4Å; Q174-H194 WeakPolarHBondContact O-CB 3.44Å; Q174-K195 PolarHBondContact OE1-O 2.9Å; Q174-A196 WeakPolarHBondContact CB-O 3.47Å
175	T	93	Very high	88.7	Confident	13 Å²	13	28 Å²	28	8%	0.08	15%	0.15	C	C	.	.			trans	-110.3	150.5	176.6	70.4	0	0	0	0	111.9	H151 S171 D173	H151-T175 PolarHBondContact CE1-OG1 3.47Å; H151-T175 PolarHBondContact ND1-OG1 2.78Å; S171-T175 PolarHBondContact N-O 2.69Å; D173-T175 PolarHBondContact O-N 2.8Å; D173-T175 WeakPolarHBondContact OD1-CB 3.37Å; D173-T175 PolarHBondContact OD1-N 3.09Å; D173-T175 PolarHBondContact OD1-OG1 2.97Å; D173-T175 PolarHBondContact OD2-OG1 3.39Å
176	V	93.3	Very high	88.5	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	129.5	162.8	-179.1	0	0	0	0	106.9	S169 F178 G190 V198 L201 L210 W222	S169-V176 CarbonylContact O-C 3.5Å; S169-V176 VanDerWaalsContact O-CA 3.29Å; S169-V176 WeakPolarHBondContact O-CA 3.16Å; V176-F178 HydrophobicContact CG1-CE2 4.05Å; V176-F178 HydrophobicContact CG1-CZ 4.28Å; V176-G190 WeakPolarHBondContact O-CA 3.34Å; V176-G190 PolarHBondContact O-N 3.33Å; V176-V198 HydrophobicContact CG2-CG1 4.09Å; V176-V198 HydrophobicContact CG2-CG2 3.92Å; V176-L201 HydrophobicContact CG1-CD2 4.35Å; V176-L201 HydrophobicContact CG2-CD2 4.44Å; V176-L210 HydrophobicContact CG1-CD2 3.99Å; V176-W222 HydrophobicContact CB-CH2 4.49Å; V176-W222 HydrophobicContact CB-CZ2 3.8Å; V176-W222 HydrophobicContact CG2-CZ2 3.85Å
177	R	92.1	Very high	88.1	Confident	30 Å²	30	30.1 Å²	30.1	11%	0.113	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	142.4	177.5	-70.3	-177.3	176.8	-120.4	-7.5	110.3	G150 H151 A168 S169 W179 T189	G150-R177 PolarHBondContact O-NH2 2.68Å; H151-R177 VanDerWaalsContact CE1-CD 3.46Å; H151-R177 WeakPolarHBondContact CE1-CD 3.17Å; A168-R177 CarbonylContact C-O 3.58Å; A168-R177 VanDerWaalsContact CA-O 3.27Å; A168-R177 WeakPolarHBondContact CA-O 3.46Å; S169-R177 PolarHBondContact N-O 2.88Å; S169-R177 PolarHBondContact O-N 3.39Å; R177-W179 HydrophobicContact CB-CH2 4.3Å; R177-W179 HydrophobicContact CB-CZ2 3.52Å; R177-W179 HydrophobicContact CG-CZ2 4.16Å; R177-W179 PolarHBondContact O-NE1 3.02Å; R177-T189 HydrophobicContact CG-CG2 4.18Å
178	F	91.3	Very high	86.9	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	140.3	171.2	-64.5	-91.6	0	0	0	109	L167 A168 V176 L187 S188 W203 L210 W222 W231	L167-F178 CarbonylContact O-C 3.51Å; L167-F178 WeakPolarHBondContact O-CA 3.17Å; A168-F178 HydrophobicContact CB-CD1 4.01Å; A168-F178 HydrophobicContact CB-CE1 3.96Å; V176-F178 HydrophobicContact CG1-CE2 4.05Å; V176-F178 HydrophobicContact CG1-CZ 4.28Å; F178-L187 HydrophobicContact CB-CB 4.48Å; F178-L187 WeakPolarHBondContact O-CB 3.36Å; F178-L187 PolarHBondContact O-N 3.24Å; F178-S188 PolarHBondContact N-O 3.36Å; F178-S188 PolarHBondContact O-N 3.45Å; F178-W203 HydrophobicContact CD1-CH2 4.1Å; F178-W203 HydrophobicContact CD1-CZ2 4.44Å; F178-W203 AromaticContact CE1-CH2 3.87Å; F178-W203 HydrophobicContact CE1-CH2 3.87Å; F178-W203 HydrophobicContact CE1-CZ2 4.27Å; F178-L210 HydrophobicContact CE1-CB 4.26Å; F178-L210 HydrophobicContact CE1-CD2 3.54Å; F178-L210 HydrophobicContact CZ-CB 4.3Å; F178-L210 HydrophobicContact CZ-CD2 3.46Å; F178-L210 VanDerWaalsContact CZ-CD2 3.46Å; F178-W222 HydrophobicContact CE2-CB 4.17Å; F178-W222 HydrophobicContact CE2-CD2 4.03Å; F178-W222 HydrophobicContact CE2-CE3 4.11Å; F178-W222 HydrophobicContact CE2-CG 4.07Å; F178-W222 HydrophobicContact CZ-CB 3.6Å; F178-W222 HydrophobicContact CZ-CD2 4.22Å; F178-W222 AromaticContact CZ-CG 3.75Å; F178-W222 HydrophobicContact CZ-CG 3.75Å; F178-W231 HydrophobicContact CB-CB 4.45Å; F178-W231 HydrophobicContact CB-CG 4.12Å; F178-W231 HydrophobicContact CD1-CB 4.05Å; F178-W231 AromaticContact CD1-CD1 3.58Å; F178-W231 AromaticContact CD1-CD2 3.57Å; F178-W231 HydrophobicContact CD1-CD2 3.57Å; F178-W231 AromaticContact CD1-CE2 3.85Å; F178-W231 HydrophobicContact CD1-CE3 4.22Å; F178-W231 AromaticContact CD1-CG 3.44Å; F178-W231 HydrophobicContact CD1-CG 3.44Å; F178-W231 VanDerWaalsContact CD1-CG 3.44Å; F178-W231 AromaticContact CD1-NE1 3.78Å; F178-W231 HydrophobicContact CD2-CB 3.36Å; F178-W231 AromaticContact CD2-CG 3.71Å; F178-W231 HydrophobicContact CD2-CG 3.71Å; F178-W231 HydrophobicContact CE1-CB 4.07Å; F178-W231 AromaticContact CE1-CD2 3.4Å; F178-W231 HydrophobicContact CE1-CD2 3.4Å; F178-W231 VanDerWaalsContact CE1-CD2 3.4Å; F178-W231 AromaticContact CE1-CE2 3.99Å; F178-W231 AromaticContact CE1-CE3 3.57Å; F178-W231 HydrophobicContact CE1-CE3 3.57Å; F178-W231 AromaticContact CE1-CG 3.62Å; F178-W231 HydrophobicContact CE1-CG 3.62Å; F178-W231 HydrophobicContact CE1-CZ3 4.31Å; F178-W231 HydrophobicContact CE2-CB 3.41Å; F178-W231 VanDerWaalsContact CE2-CB 3.41Å; F178-W231 HydrophobicContact CE2-CD2 4.4Å; F178-W231 AromaticContact CE2-CG 3.9Å; F178-W231 HydrophobicContact CE2-CG 3.9Å; F178-W231 HydrophobicContact CG-CB 3.69Å; F178-W231 AromaticContact CG-CD1 3.53Å; F178-W231 HydrophobicContact CG-CD2 4.13Å; F178-W231 AromaticContact CG-CG 3.47Å; F178-W231 HydrophobicContact CG-CG 3.47Å; F178-W231 VanDerWaalsContact CG-CG 3.47Å; F178-W231 HydrophobicContact CZ-CB 3.77Å; F178-W231 AromaticContact CZ-CD2 3.86Å; F178-W231 HydrophobicContact CZ-CD2 3.86Å; F178-W231 AromaticContact CZ-CE3 3.81Å; F178-W231 HydrophobicContact CZ-CE3 3.81Å; F178-W231 AromaticContact CZ-CG 3.85Å; F178-W231 HydrophobicContact CZ-CG 3.85Å
179	W	87.4	Confident	85.7	Confident	1 Å²	1	34.2 Å²	34.2	0%	0.004	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	131.4	-174.2	-47.5	88.8	0	0	0	108.6	I148 H151 L167 S169 R177 P186 L582	I148-W179 HydrophobicContact CB-CE3 4.25Å; I148-W179 HydrophobicContact CB-CZ3 4.04Å; I148-W179 HydrophobicContact CD1-CE3 4.3Å; I148-W179 HydrophobicContact CG2-CE3 3.53Å; I148-W179 HydrophobicContact CG2-CH2 4.22Å; I148-W179 HydrophobicContact CG2-CZ3 3.24Å; H151-W179 AromaticContact CD2-CZ2 3.99Å; H151-W179 AromaticContact NE2-CZ2 3.95Å; L167-W179 HydrophobicContact CB-CB 4.17Å; L167-W179 HydrophobicContact CD2-CB 4.14Å; L167-W179 HydrophobicContact CD2-CG 4.17Å; L167-W179 HydrophobicContact CG-CB 4.32Å; L167-W179 HydrophobicContact CG-CG 4.32Å; L167-W179 PolarHBondContact N-O 2.8Å; L167-W179 PolarHBondContact O-N 3.14Å; S169-W179 PolarHBondContact OG-NE1 2.85Å; R177-W179 HydrophobicContact CB-CH2 4.3Å; R177-W179 HydrophobicContact CB-CZ2 3.52Å; R177-W179 HydrophobicContact CG-CZ2 4.16Å; R177-W179 PolarHBondContact O-NE1 3.02Å; W179-P186 HydrophobicContact CE3-CB 3.91Å; W179-P186 HydrophobicContact CZ3-CB 3.69Å; W179-P186 HydrophobicContact CZ3-CG 4.43Å; W179-L582 HydrophobicContact CH2-CD1 4.29Å; W179-L582 HydrophobicContact CZ2-CD1 3.57Å; W179-L582 HydrophobicContact CZ2-CD2 4.46Å; W179-L582 HydrophobicContact CZ2-CG 4.5Å
180	D	80.9	Confident	84.1	Confident	33 Å²	33	34.3 Å²	34.3	18%	0.176	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	119.1	171.7	175.3	19.3	0	0	0	108.8	N182 T183 E184 L185 L187	D180-N182 VanDerWaalsContact C-N 3.28Å; D180-N182 PolarHBondContact O-N 2.92Å; D180-N182 WeakPolarHBondContact OD1-CB 3.18Å; D180-N182 PolarHBondContact OD1-N 2.77Å; D180-T183 WeakPolarHBondContact OD2-CB 3.46Å; D180-T183 VanDerWaalsContact OD2-CG2 3.32Å; D180-T183 WeakPolarHBondContact OD2-CG2 3.42Å; D180-T183 PolarHBondContact OD2-N 3.35Å; D180-T183 PolarHBondContact OD2-OG1 3.44Å; D180-E184 WeakPolarHBondContact O-CA 3.31Å; D180-E184 PolarHBondContact O-N 2.8Å; D180-L185 PolarHBondContact N-O 2.95Å; D180-L185 PolarHBondContact O-N 3.05Å; D180-L187 HydrophobicContact CB-CB 4.21Å; D180-L187 HydrophobicContact CB-CD1 4.13Å
181	L	82.9	Confident	82.6	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.005	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-11.4	-179.2	-64.6	174.3	0	0	0	112.9	F160 G164 L167 K369 L584	F160-L181 HydrophobicContact CD1-CD1 3.68Å; F160-L181 HydrophobicContact CE1-CD1 3.61Å; F160-L181 HydrophobicContact CE1-CD2 3.74Å; F160-L181 HydrophobicContact CE1-CG 4.32Å; G164-L181 WeakPolarHBondContact O-CD1 3.2Å; L167-L181 HydrophobicContact CB-CD1 4.33Å; L167-L181 HydrophobicContact CB-CD2 3.87Å; L167-L181 HydrophobicContact CB-CG 4.18Å; L167-L181 HydrophobicContact CD2-CD2 4.13Å; L181-K369 VanDerWaalsContact C-NZ 3.31Å; L181-K369 PolarHBondContact O-NZ 2.95Å; L181-L584 HydrophobicContact CD2-CD1 3.86Å; L181-L584 HydrophobicContact CD2-CD2 4.05Å
182	N	80.3	Confident	81.4	Confident	98 Å²	98	45.9 Å²	45.9	52%	0.524	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-48.7	175.7	-69.3	-27.8	0	0	0	111.4	D180 K369	D180-N182 VanDerWaalsContact C-N 3.28Å; D180-N182 PolarHBondContact O-N 2.92Å; D180-N182 WeakPolarHBondContact OD1-CB 3.18Å; D180-N182 PolarHBondContact OD1-N 2.77Å; N182-K369 VanDerWaalsContact OD1-CD 3.25Å; N182-K369 WeakPolarHBondContact OD1-CD 3.45Å; N182-K369 PolarHBondContact OD1-NZ 3.46Å
183	T	81	Confident	80.9	Confident	83 Å²	83	45.8 Å²	45.8	51%	0.509	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-15	178.5	57.7	0	0	0	0	112.7	D180 L185	D180-T183 WeakPolarHBondContact OD2-CB 3.46Å; D180-T183 VanDerWaalsContact OD2-CG2 3.32Å; D180-T183 WeakPolarHBondContact OD2-CG2 3.42Å; D180-T183 PolarHBondContact OD2-N 3.35Å; D180-T183 PolarHBondContact OD2-OG1 3.44Å; T183-L185 PolarHBondContact O-N 2.82Å
184	E	81.5	Confident	80.7	Confident	37 Å²	37	44.6 Å²	44.6	17%	0.173	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	30.3	-172.8	-55.5	-172.3	-175.4	0	0	112.4	S145 S146 D180 Y572 L584	S145-E184 PolarHBondContact OG-OE1 3.39Å; S145-E184 PolarHBondContact OG-OE2 3.45Å; S145-E184 VanDerWaalsContact OG-OE2 3.09Å; S146-E184 WeakPolarHBondContact CB-OE2 3.48Å; S146-E184 PolarHBondContact OG-OE2 2.95Å; D180-E184 WeakPolarHBondContact O-CA 3.31Å; D180-E184 PolarHBondContact O-N 2.8Å; E184-Y572 PolarHBondContact OE1-OH 2.69Å; E184-L584 HydrophobicContact CB-CD1 4.42Å; E184-L584 HydrophobicContact CG-CD1 4.13Å
185	L	79.1	Confident	80.4	Confident	103 Å²	103	48.1 Å²	48.1	54%	0.539	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	155.3	179.4	-67	175.6	0	0	0	111.2	D180 T183 L187	D180-L185 PolarHBondContact N-O 2.95Å; D180-L185 PolarHBondContact O-N 3.05Å; T183-L185 PolarHBondContact O-N 2.82Å; L185-L187 PolarHBondContact O-N 2.69Å
186	P	78.9	Confident	80.3	Confident	59 Å²	59	47.8 Å²	47.8	38%	0.383	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	123.2	167.4	24.9	-32.3	0	0	0	109.4	W179	W179-P186 HydrophobicContact CE3-CB 3.91Å; W179-P186 HydrophobicContact CZ3-CB 3.69Å; W179-P186 HydrophobicContact CZ3-CG 4.43Å
187	L	77	Confident	80.3	Confident	53 Å²	53	49.1 Å²	49.1	28%	0.277	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	-63.2	178.2	-174.6	64	0	0	0	109.3	F178 D180 L185 N229	F178-L187 HydrophobicContact CB-CB 4.48Å; F178-L187 WeakPolarHBondContact O-CB 3.36Å; F178-L187 PolarHBondContact O-N 3.24Å; D180-L187 HydrophobicContact CB-CB 4.21Å; D180-L187 HydrophobicContact CB-CD1 4.13Å; L185-L187 PolarHBondContact O-N 2.69Å; L187-N229 WeakPolarHBondContact CD1-O 3.42Å; L187-N229 WeakPolarHBondContact CD2-O 3.08Å; L187-N229 WeakPolarHBondContact CG-O 3.43Å
188	S	68.5	Low	80.5	Confident	16 Å²	16	47.7 Å²	47.7	11%	0.112	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	140.6	177	54.4	0	0	0	0	110.2	F178 W231	F178-S188 PolarHBondContact N-O 3.36Å; F178-S188 PolarHBondContact O-N 3.45Å; S188-W231 PolarHBondContact OG-N 3.42Å
189	T	68.1	Low	80.6	Confident	71 Å²	71	50.2 Å²	50.2	44%	0.436	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	107.8	162.5	-56.8	0	0	0	0	105.6	R177 S191	R177-T189 HydrophobicContact CG-CG2 4.18Å; T189-S191 PolarHBondContact O-N 3.36Å
190	G	62	Low	81	Confident	2 Å²	2	50.8 Å²	50.8	2%	0.021	28%	0.278	C	S	.	.			trans	-52.6	128.4	170.8	0	0	0	0	0	107.8	V176 W222	V176-G190 WeakPolarHBondContact O-CA 3.34Å; V176-G190 PolarHBondContact O-N 3.33Å; G190-W222 VanDerWaalsContact CA-CZ3 3.42Å
191	S	62.8	Low	81.8	Confident	73 Å²	73	50 Å²	50	51%	0.51	27%	0.273	S	S	.	.			trans	-53.2	165.9	-170.2	59.3	0	0	0	0	112.6	T189 V193	T189-S191 PolarHBondContact O-N 3.36Å; S191-V193 WeakPolarHBondContact O-CG2 3.3Å; S191-V193 PolarHBondContact O-N 2.82Å; S191-V193 WeakPolarHBondContact OG-CG2 3.21Å
192	E	70.8	Confident	82.4	Confident	169 Å²	169	50.3 Å²	50.3	79%	0.79	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	54.8	179.8	-60.3	-174.8	165.4	0	0	112.6
193	V	83.4	Confident	83.1	Confident	25 Å²	25	46.2 Å²	46.2	15%	0.152	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-46.5	-177.4	-172	0	0	0	0	110.1	S191 C220 W222 L233	S191-V193 WeakPolarHBondContact O-CG2 3.3Å; S191-V193 PolarHBondContact O-N 2.82Å; S191-V193 WeakPolarHBondContact OG-CG2 3.21Å; V193-C220 VanDerWaalsContact CG1-SG 3.52Å; V193-W222 HydrophobicContact CG2-CH2 4.18Å; V193-L233 HydrophobicContact CB-CD1 4.46Å; V193-L233 HydrophobicContact CG1-CD1 4.06Å; V193-L233 HydrophobicContact CG1-CD2 4.48Å; V193-L233 HydrophobicContact CG2-CD1 3.56Å; V193-L233 HydrophobicContact CG2-CD2 4.29Å; V193-L233 HydrophobicContact CG2-CG 4.16Å
194	H	87.5	Confident	83.7	Confident	5 Å²	5	42.2 Å²	42.2	2%	0.023	23%	0.229	C	C	.	.			trans	-72.2	132.3	177	-75.9	-66.5	0	0	0	109.2	Q174 V198 S212 C214 M218 C220	Q174-H194 HydrophobicContact CB-CB 4.49Å; Q174-H194 WeakPolarHBondContact CB-O 3.4Å; Q174-H194 WeakPolarHBondContact O-CB 3.44Å; H194-V198 HydrophobicContact CB-CG2 4.2Å; H194-S212 PolarHBondContact NE2-OG 3.49Å; H194-C214 HydrophobicContact CB-CB 4.43Å; H194-C214 VanDerWaalsContact ND1-CB 3.33Å; H194-C214 WeakPolarHBondContact ND1-CB 3.49Å; H194-C214 PolarHBondContact ND1-SG 2.92Å; H194-M218 PolarHBondContact CE1-O 3.39Å; H194-C220 PolarHBondContact CE1-SG 2.81Å; H194-C220 PolarHBondContact NE2-SG 3.15Å
195	K	86.6	Confident	84.2	Confident	138 Å²	138	40.8 Å²	40.8	60%	0.6	22%	0.223	S	C	*	.	S	Bend	trans	-102.3	12.8	179	-61.6	179.6	-179.2	179.5	0	112	Q174 M218	Q174-K195 PolarHBondContact OE1-O 2.9Å; K195-M218 HydrophobicContact CB-CE 3.85Å; K195-M218 HydrophobicContact CG-CE 4.04Å
196	A	91.3	Very high	84.6	Confident	5 Å²	5	37.1 Å²	37.1	4%	0.041	20%	0.204	C	C	.	.	S	Bend	trans	-157.2	157.5	-174.1	0	0	0	0	0	110.1	Q174 V198 C214 Q215 G216	Q174-A196 WeakPolarHBondContact CB-O 3.47Å; A196-V198 PolarHBondContact O-N 3.13Å; A196-C214 HydrophobicContact CB-CB 4.34Å; A196-Q215 HydrophobicContact CB-CB 4.14Å; A196-G216 VanDerWaalsContact CB-N 3.27Å
197	P	93.7	Very high	85	Confident	30 Å²	30	34.5 Å²	34.5	20%	0.195	19%	0.187	C	C	.	.			trans	-49.2	134.9	177.8	-34.4	40.2	0	0	0	113.6	L156 L199 C214 Q215	L156-P197 HydrophobicContact CD1-CB 4.27Å; P197-L199 HydrophobicContact CB-CD2 4.32Å; P197-C214 CarbonylContact O-C 3.59Å; P197-C214 VanDerWaalsContact O-CA 3.23Å; P197-C214 WeakPolarHBondContact O-CA 3.44Å; P197-C214 VanDerWaalsContact O-CB 3.31Å; P197-C214 WeakPolarHBondContact O-CB 3.47Å; P197-Q215 HydrophobicContact CB-CB 4.38Å; P197-Q215 PolarHBondContact O-N 3.18Å
198	V	95	Very high	85.4	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	117.1	175.8	-177.3	0	0	0	0	108.5	S171 V176 H194 A196 L201	S171-V198 PolarHBondContact O-N 3.02Å; S171-V198 VanDerWaalsContact O-N 3.1Å; V176-V198 HydrophobicContact CG2-CG1 4.09Å; V176-V198 HydrophobicContact CG2-CG2 3.92Å; H194-V198 HydrophobicContact CB-CG2 4.2Å; A196-V198 PolarHBondContact O-N 3.13Å; V198-L201 HydrophobicContact CG1-CD2 4.15Å
199	L	94.9	Very high	86.4	Confident	53 Å²	53	33.8 Å²	33.8	28%	0.277	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-29	-172	-60.5	-176.9	0	0	0	113	L156 P197 G213 Q215 W255	L156-L199 HydrophobicContact CD1-CD2 3.72Å; P197-L199 HydrophobicContact CB-CD2 4.32Å; L199-G213 PolarHBondContact N-O 3.01Å; L199-Q215 HydrophobicContact CD1-CB 3.94Å; L199-Q215 HydrophobicContact CD1-CG 4.32Å; L199-Q215 HydrophobicContact CG-CB 4.22Å; L199-W255 HydrophobicContact CD1-CB 4.39Å
200	C	95.4	Very high	87.7	Confident	13 Å²	13	30.4 Å²	30.4	9%	0.088	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	147.8	-175.1	52.6	0	0	0	0	111.2	G213 I256 L259	C200-G213 PolarHBondContact N-O 3.43Å; C200-G213 PolarHBondContact O-N 3.32Å; C200-I256 VanDerWaalsContact SG-CG2 3.57Å; C200-L259 HydrophobicContact CB-CD1 4.42Å; C200-L259 HydrophobicContact CB-CG 4.43Å
201	L	96.7	Very high	89.3	Confident	15 Å²	15	30.3 Å²	30.3	8%	0.079	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	146.3	174.6	-69.4	-179.4	0	0	0	108	V157 Q159 A168 V176 V198 L210 A211 S212	V157-L201 HydrophobicContact CG1-CB 4.37Å; V157-L201 HydrophobicContact CG1-CD1 3.92Å; V157-L201 HydrophobicContact CG1-CG 3.66Å; V157-L201 HydrophobicContact CG2-CB 4.05Å; V157-L201 HydrophobicContact CG2-CD1 4.35Å; V157-L201 HydrophobicContact CG2-CG 4.19Å; Q159-L201 PolarHBondContact OE1-O 3.45Å; A168-L201 HydrophobicContact CB-CD1 4.07Å; V176-L201 HydrophobicContact CG1-CD2 4.35Å; V176-L201 HydrophobicContact CG2-CD2 4.44Å; V198-L201 HydrophobicContact CG1-CD2 4.15Å; L201-L210 HydrophobicContact CB-CD1 4.24Å; L201-L210 HydrophobicContact CD2-CD1 4.44Å; L201-L210 HydrophobicContact CD2-CD2 4.05Å; L201-L210 HydrophobicContact CD2-CG 4.39Å; L201-A211 CarbonylContact C-O 3.57Å; L201-A211 WeakPolarHBondContact CA-O 3.18Å; L201-S212 VanDerWaalsContact CD2-CB 3.46Å
202	A	96.6	Very high	90.8	Very high	9 Å²	9	26.9 Å²	26.9	7%	0.074	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	114.7	170.2	0	0	0	0	0	109	A211 L259 W261	A202-A211 PolarHBondContact N-O 3.21Å; A202-A211 PolarHBondContact O-N 2.95Å; A202-L259 HydrophobicContact CB-CB 3.68Å; A202-L259 HydrophobicContact CB-CD1 4.42Å; A202-W261 PolarHBondContact O-NE1 3.07Å
203	W	95.2	Very high	92	Very high	11 Å²	11	18.8 Å²	18.8	4%	0.042	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	140.6	169.1	-71.1	92.9	0	0	0	110.6	Q159 P162 A168 F178 L210 W231 W261	Q159-W203 PolarHBondContact O-NE1 3.12Å; P162-W203 HydrophobicContact CG-CB 4.03Å; A168-W203 HydrophobicContact CB-CH2 4.5Å; A168-W203 HydrophobicContact CB-CZ2 3.56Å; F178-W203 HydrophobicContact CD1-CH2 4.1Å; F178-W203 HydrophobicContact CD1-CZ2 4.44Å; F178-W203 AromaticContact CE1-CH2 3.87Å; F178-W203 HydrophobicContact CE1-CH2 3.87Å; F178-W203 HydrophobicContact CE1-CZ2 4.27Å; W203-L210 HydrophobicContact CB-CD1 4.46Å; W203-L210 HydrophobicContact CD2-CB 4.38Å; W203-L210 HydrophobicContact CD2-CD1 3.7Å; W203-L210 HydrophobicContact CE3-CB 4.2Å; W203-L210 HydrophobicContact CE3-CD1 4.35Å; W203-L210 HydrophobicContact CG-CD1 3.73Å; W203-L210 HydrophobicContact CZ2-CD1 4.39Å; W203-L210 HydrophobicContact CZ3-CB 4.36Å; W203-W231 HydrophobicContact CE3-CH2 4.46Å; W203-W231 AromaticContact CH2-CH2 3.9Å; W203-W231 HydrophobicContact CH2-CH2 3.9Å; W203-W231 AromaticContact CH2-CZ2 3.8Å; W203-W231 HydrophobicContact CH2-CZ2 3.8Å; W203-W231 HydrophobicContact CH2-CZ3 4.38Å; W203-W231 AromaticContact CZ3-CH2 3.37Å; W203-W231 HydrophobicContact CZ3-CH2 3.37Å; W203-W231 AromaticContact CZ3-CZ2 3.72Å; W203-W231 HydrophobicContact CZ3-CZ2 3.72Å; W203-W231 AromaticContact CZ3-CZ3 3.89Å; W203-W231 HydrophobicContact CZ3-CZ3 3.89Å; W203-W261 PolarHBondContact O-NE1 3Å
204	S	93.4	Very high	92.5	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.09	C	C	.	.			trans	-65.7	140	168.2	57	0	0	0	0	108.9	P162 D206 A207 R209	P162-S204 WeakPolarHBondContact CG-O 3.4Å; S204-D206 WeakPolarHBondContact CB-OD1 3.42Å; S204-D206 PolarHBondContact O-N 3.3Å; S204-D206 PolarHBondContact OG-OD1 3.16Å; S204-A207 WeakPolarHBondContact O-CA 3.48Å; S204-A207 PolarHBondContact O-N 3.02Å; S204-R209 PolarHBondContact N-O 3.24Å; S204-R209 WeakPolarHBondContact OG-CA 3.09Å; S204-R209 PolarHBondContact OG-N 2.58Å; S204-R209 PolarHBondContact OG-O 3.35Å
205	P	91.3	Very high	92.7	Very high	6 Å²	6	19.9 Å²	19.9	4%	0.039	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-19.7	-177.7	-30.9	37.7	0	0	0	115.6	A207 W261 L264	P205-A207 VanDerWaalsContact C-N 3.29Å; P205-W261 HydrophobicContact CG-CB 4.22Å; P205-L264 HydrophobicContact CB-CB 3.88Å
206	D	87.4	Confident	92.8	Very high	26 Å²	26	13.3 Å²	13.3	14%	0.139	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-2.3	173.2	64.9	3.8	0	0	0	114	S204 V208 L264	S204-D206 WeakPolarHBondContact CB-OD1 3.42Å; S204-D206 PolarHBondContact O-N 3.3Å; S204-D206 PolarHBondContact OG-OD1 3.16Å; D206-V208 HydrophobicContact CB-CG2 4.3Å; D206-V208 PolarHBondContact O-N 3.28Å; D206-V208 PolarHBondContact OD1-N 3.35Å; D206-L264 HydrophobicContact CB-CD1 4.14Å
207	A	87.9	Confident	92.8	Very high	4 Å²	4	13 Å²	13	3%	0.033	7%	0.07	C	C	.	.	S	Bend	trans	62.4	10.5	-174.9	0	0	0	0	0	116.2	P162 D163 S204 P205 F360	P162-A207 HydrophobicContact CB-CB 4.21Å; P162-A207 HydrophobicContact CG-CB 4.27Å; D163-A207 HydrophobicContact CB-CB 4.02Å; S204-A207 WeakPolarHBondContact O-CA 3.48Å; S204-A207 PolarHBondContact O-N 3.02Å; P205-A207 VanDerWaalsContact C-N 3.29Å; A207-F360 HydrophobicContact CB-CE2 3.73Å; A207-F360 HydrophobicContact CB-CZ 4.06Å
208	V	86	Confident	92.7	Very high	26 Å²	26	12.3 Å²	12.3	16%	0.158	6%	0.064	C	C	.	.	S	Bend	trans	-87.2	-31.2	-175.7	178	0	0	0	0	112.8	D206 Q223 W231 L374	D206-V208 HydrophobicContact CB-CG2 4.3Å; D206-V208 PolarHBondContact O-N 3.28Å; D206-V208 PolarHBondContact OD1-N 3.35Å; V208-Q223 HydrophobicContact CG1-CG 4.22Å; V208-W231 WeakPolarHBondContact O-CZ3 3.3Å; V208-L374 HydrophobicContact CG1-CD2 3.61Å; V208-L374 HydrophobicContact CG2-CD2 4.33Å
209	R	89.6	Confident	92.6	Very high	29 Å²	29	12.3 Å²	12.3	11%	0.109	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	154.8	-174.9	-73.6	176.3	-73.8	168	-2.2	112.2	S204 W222 Q223 W261 E269 C270 T287	S204-R209 PolarHBondContact N-O 3.24Å; S204-R209 WeakPolarHBondContact OG-CA 3.09Å; S204-R209 PolarHBondContact OG-N 2.58Å; S204-R209 PolarHBondContact OG-O 3.35Å; R209-W222 CarbonylContact C-O 3.55Å; R209-W222 WeakPolarHBondContact CA-O 3.37Å; R209-Q223 HydrophobicContact CG-CB 4.23Å; R209-Q223 HydrophobicContact CG-CG 4.48Å; R209-W261 HydrophobicContact CB-CH2 4.43Å; R209-W261 HydrophobicContact CB-CZ2 4.46Å; R209-E269 PolarHBondContact NH2-O 3.02Å; R209-C270 PolarHBondContact NH2-O 3.18Å; R209-T287 PolarHBondContact NH1-OG1 3.3Å
210	L	93.9	Very high	92.4	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.8	168.4	177.4	75	0	0	0	108.9	A168 V176 F178 L201 W203 L221 W222	A168-L210 HydrophobicContact CB-CD1 4.35Å; A168-L210 HydrophobicContact CB-CD2 3.42Å; A168-L210 VanDerWaalsContact CB-CD2 3.42Å; V176-L210 HydrophobicContact CG1-CD2 3.99Å; F178-L210 HydrophobicContact CE1-CB 4.26Å; F178-L210 HydrophobicContact CE1-CD2 3.54Å; F178-L210 HydrophobicContact CZ-CB 4.3Å; F178-L210 HydrophobicContact CZ-CD2 3.46Å; F178-L210 VanDerWaalsContact CZ-CD2 3.46Å; L201-L210 HydrophobicContact CB-CD1 4.24Å; L201-L210 HydrophobicContact CD2-CD1 4.44Å; L201-L210 HydrophobicContact CD2-CD2 4.05Å; L201-L210 HydrophobicContact CD2-CG 4.39Å; W203-L210 HydrophobicContact CB-CD1 4.46Å; W203-L210 HydrophobicContact CD2-CB 4.38Å; W203-L210 HydrophobicContact CD2-CD1 3.7Å; W203-L210 HydrophobicContact CE3-CB 4.2Å; W203-L210 HydrophobicContact CE3-CD1 4.35Å; W203-L210 HydrophobicContact CG-CD1 3.73Å; W203-L210 HydrophobicContact CZ2-CD1 4.39Å; W203-L210 HydrophobicContact CZ3-CB 4.36Å; L210-L221 CarbonylContact O-C 3.59Å; L210-L221 WeakPolarHBondContact O-CA 3.3Å; L210-W222 HydrophobicContact CB-CB 4.22Å; L210-W222 PolarHBondContact N-O 3.16Å; L210-W222 VanDerWaalsContact O-CD1 3.3Å; L210-W222 PolarHBondContact O-N 3.41Å
211	A	95.3	Very high	92.3	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	135.3	165.2	0	0	0	0	0	109.7	L201 A202 I219 L221 L259 W261 L273	L201-A211 CarbonylContact C-O 3.57Å; L201-A211 WeakPolarHBondContact CA-O 3.18Å; A202-A211 PolarHBondContact N-O 3.21Å; A202-A211 PolarHBondContact O-N 2.95Å; A211-I219 HydrophobicContact CB-CG2 4.5Å; A211-L221 HydrophobicContact CB-CD2 3.87Å; A211-L259 HydrophobicContact CB-CD1 4.13Å; A211-W261 HydrophobicContact CB-CZ2 3.68Å; A211-L273 HydrophobicContact CB-CD1 4.26Å; A211-L273 HydrophobicContact CB-CD2 3.67Å
212	S	95.5	Very high	92.1	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	130.4	175.6	60.7	0	0	0	0	110.4	H194 L201 I219 C220 W222	H194-S212 PolarHBondContact NE2-OG 3.49Å; L201-S212 VanDerWaalsContact CD2-CB 3.46Å; S212-I219 CarbonylContact O-C 3.54Å; S212-I219 VanDerWaalsContact O-CA 3.25Å; S212-I219 WeakPolarHBondContact O-CA 3.48Å; S212-C220 PolarHBondContact N-O 2.77Å; S212-C220 PolarHBondContact O-N 3.26Å; S212-C220 WeakPolarHBondContact OG-CB 3.32Å; S212-C220 PolarHBondContact OG-O 3.26Å; S212-W222 PolarHBondContact OG-NE1 3.39Å
213	G	94.9	Very high	91.7	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	128.4	-178.2	0	0	0	0	0	110.9	L199 C200	L199-G213 PolarHBondContact N-O 3.01Å; C200-G213 PolarHBondContact N-O 3.43Å; C200-G213 PolarHBondContact O-N 3.32Å
214	C	93.8	Very high	90.9	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	165	178.2	70.9	0	0	0	0	113.6	H194 A196 P197 G216 G217 M218 I256	H194-C214 HydrophobicContact CB-CB 4.43Å; H194-C214 VanDerWaalsContact ND1-CB 3.33Å; H194-C214 WeakPolarHBondContact ND1-CB 3.49Å; H194-C214 PolarHBondContact ND1-SG 2.92Å; A196-C214 HydrophobicContact CB-CB 4.34Å; P197-C214 CarbonylContact O-C 3.59Å; P197-C214 VanDerWaalsContact O-CA 3.23Å; P197-C214 WeakPolarHBondContact O-CA 3.44Å; P197-C214 VanDerWaalsContact O-CB 3.31Å; P197-C214 WeakPolarHBondContact O-CB 3.47Å; C214-G216 PolarHBondContact O-N 3.25Å; C214-G216 VanDerWaalsContact O-N 3.15Å; C214-G216 PolarHBondContact SG-N 3.36Å; C214-G216 VanDerWaalsContact SG-N 3.36Å; C214-G217 PolarHBondContact O-N 3.33Å; C214-G217 VanDerWaalsContact O-N 3.08Å; C214-M218 PolarHBondContact N-O 3.1Å; C214-M218 VanDerWaalsContact N-O 3.15Å; C214-M218 PolarHBondContact SG-N 3.2Å; C214-M218 VanDerWaalsContact SG-N 3.38Å; C214-M218 PolarHBondContact SG-O 2.8Å; C214-M218 VanDerWaalsContact SG-O 3.37Å; C214-I256 PolarHBondContact O-N 3.21Å
215	Q	92.1	Very high	90.1	Very high	52 Å²	52	15.2 Å²	15.2	24%	0.243	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-23	170	-169	-179.5	-3.3	0	0	112.3	A196 P197 L199 G217 R254 W255	A196-Q215 HydrophobicContact CB-CB 4.14Å; P197-Q215 HydrophobicContact CB-CB 4.38Å; P197-Q215 PolarHBondContact O-N 3.18Å; L199-Q215 HydrophobicContact CD1-CB 3.94Å; L199-Q215 HydrophobicContact CD1-CG 4.32Å; L199-Q215 HydrophobicContact CG-CB 4.22Å; Q215-G217 VanDerWaalsContact C-N 3.3Å; Q215-G217 PolarHBondContact O-N 3.11Å; Q215-R254 CarbonylContact O-C 3.58Å; Q215-W255 HydrophobicContact CB-CG 4.43Å; Q215-W255 HydrophobicContact CG-CB 4.34Å; Q215-W255 HydrophobicContact CG-CD2 3.64Å; Q215-W255 VanDerWaalsContact CG-CE2 3.47Å; Q215-W255 HydrophobicContact CG-CG 3.52Å; Q215-W255 HydrophobicContact CG-CZ2 4.22Å; Q215-W255 VanDerWaalsContact O-CA 3.3Å; Q215-W255 WeakPolarHBondContact O-CA 3.24Å; Q215-W255 PolarHBondContact O-N 3.43Å
216	G	89.8	Confident	89.1	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	6.9	176.7	0	0	0	0	0	114.9	A196 C214 M218 A249 R254	A196-G216 VanDerWaalsContact CB-N 3.27Å; C214-G216 PolarHBondContact O-N 3.25Å; C214-G216 VanDerWaalsContact O-N 3.15Å; C214-G216 PolarHBondContact SG-N 3.36Å; C214-G216 VanDerWaalsContact SG-N 3.36Å; G216-M218 PolarHBondContact O-N 3.47Å; G216-A249 VanDerWaalsContact CA-O 3.23Å; G216-A249 WeakPolarHBondContact CA-O 3.29Å; G216-R254 PolarHBondContact O-NE 3.35Å; G216-R254 PolarHBondContact O-NH2 3.36Å
217	G	90.5	Very high	88.1	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	72.8	14.8	176.8	0	0	0	0	0	114.8	C214 Q215 R254	C214-G217 PolarHBondContact O-N 3.33Å; C214-G217 VanDerWaalsContact O-N 3.08Å; Q215-G217 VanDerWaalsContact C-N 3.3Å; Q215-G217 PolarHBondContact O-N 3.11Å; G217-R254 WeakPolarHBondContact CA-O 3.42Å; G217-R254 PolarHBondContact N-O 3.36Å; G217-R254 VanDerWaalsContact N-O 3.12Å
218	M	91	Very high	87	Confident	14 Å²	14	26 Å²	26	7%	0.069	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	136.3	173.3	-59.8	-177.3	-60.9	0	0	109.5	H194 K195 C214 G216 P238 I240 I256	H194-M218 PolarHBondContact CE1-O 3.39Å; K195-M218 HydrophobicContact CB-CE 3.85Å; K195-M218 HydrophobicContact CG-CE 4.04Å; C214-M218 PolarHBondContact N-O 3.1Å; C214-M218 VanDerWaalsContact N-O 3.15Å; C214-M218 PolarHBondContact SG-N 3.2Å; C214-M218 VanDerWaalsContact SG-N 3.38Å; C214-M218 PolarHBondContact SG-O 2.8Å; C214-M218 VanDerWaalsContact SG-O 3.37Å; G216-M218 PolarHBondContact O-N 3.47Å; M218-P238 HydrophobicContact CB-CB 4.4Å; M218-P238 HydrophobicContact SD-CG 4.36Å; M218-I240 HydrophobicContact CG-CD1 3.82Å; M218-I256 WeakPolarHBondContact O-CD1 3.36Å
219	I	93	Very high	86.1	Confident	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	123.2	171	-51.6	151.7	0	0	0	107.3	A211 S212 L221 P238 L239 I256 L273 V275 Y277 W285	A211-I219 HydrophobicContact CB-CG2 4.5Å; S212-I219 CarbonylContact O-C 3.54Å; S212-I219 VanDerWaalsContact O-CA 3.25Å; S212-I219 WeakPolarHBondContact O-CA 3.48Å; I219-L221 HydrophobicContact CG2-CD2 4.49Å; I219-P238 CarbonylContact O-C 3.52Å; I219-P238 WeakPolarHBondContact O-CA 3.48Å; I219-L239 HydrophobicContact CB-CB 4.1Å; I219-L239 HydrophobicContact CD1-CB 4.22Å; I219-L239 PolarHBondContact N-O 3.44Å; I219-L239 PolarHBondContact O-N 3.47Å; I219-I256 HydrophobicContact CG1-CD1 3.56Å; I219-L273 HydrophobicContact CG2-CD2 4.13Å; I219-V275 HydrophobicContact CD1-CB 4.35Å; I219-V275 HydrophobicContact CD1-CG1 4.11Å; I219-V275 HydrophobicContact CD1-CG2 3.75Å; I219-V275 HydrophobicContact CG1-CG1 4.45Å; I219-Y277 WeakPolarHBondContact CD1-OH 3.44Å; I219-W285 HydrophobicContact CD1-CD2 4.39Å; I219-W285 HydrophobicContact CD1-CG 4.32Å
220	C	92.4	Very high	85.4	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	131.2	170.9	-59.6	0	0	0	0	108.8	V193 H194 S212 W222 L233	V193-C220 VanDerWaalsContact CG1-SG 3.52Å; H194-C220 PolarHBondContact CE1-SG 2.81Å; H194-C220 PolarHBondContact NE2-SG 3.15Å; S212-C220 PolarHBondContact N-O 2.77Å; S212-C220 PolarHBondContact O-N 3.26Å; S212-C220 WeakPolarHBondContact OG-CB 3.32Å; S212-C220 PolarHBondContact OG-O 3.26Å; C220-W222 HydrophobicContact CB-CZ2 3.98Å; C220-L233 HydrophobicContact CB-CD2 3.77Å
221	L	92.9	Very high	85	Confident	14 Å²	14	32.9 Å²	32.9	7%	0.073	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	126.7	172.8	-61.5	174.9	0	0	0	108.4	L210 A211 I219 L233 C234 L239 W261 T287	L210-L221 CarbonylContact O-C 3.59Å; L210-L221 WeakPolarHBondContact O-CA 3.3Å; A211-L221 HydrophobicContact CB-CD2 3.87Å; I219-L221 HydrophobicContact CG2-CD2 4.49Å; L221-L233 WeakPolarHBondContact O-CA 3.45Å; L221-C234 HydrophobicContact CB-CB 4.11Å; L221-C234 PolarHBondContact O-N 3.14Å; L221-L239 HydrophobicContact CD1-CD1 4.01Å; L221-L239 HydrophobicContact CG-CD1 4.4Å; L221-W261 HydrophobicContact CD2-CH2 4.01Å; L221-W261 HydrophobicContact CD2-CZ2 4.17Å; L221-T287 HydrophobicContact CD1-CG2 3.99Å; L221-T287 VanDerWaalsContact CD1-O 3.32Å; L221-T287 WeakPolarHBondContact CD1-O 3.49Å; L221-T287 HydrophobicContact CD2-CG2 4.11Å
222	W	91	Very high	84.4	Confident	2 Å²	2	34.1 Å²	34.1	1%	0.008	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	144.6	179.8	-47.4	86.8	0	0	0	109.5	V176 F178 G190 V193 R209 L210 S212 C220 W231 G232 L233	V176-W222 HydrophobicContact CB-CH2 4.49Å; V176-W222 HydrophobicContact CB-CZ2 3.8Å; V176-W222 HydrophobicContact CG2-CZ2 3.85Å; F178-W222 HydrophobicContact CE2-CB 4.17Å; F178-W222 HydrophobicContact CE2-CD2 4.03Å; F178-W222 HydrophobicContact CE2-CE3 4.11Å; F178-W222 HydrophobicContact CE2-CG 4.07Å; F178-W222 HydrophobicContact CZ-CB 3.6Å; F178-W222 HydrophobicContact CZ-CD2 4.22Å; F178-W222 AromaticContact CZ-CG 3.75Å; F178-W222 HydrophobicContact CZ-CG 3.75Å; G190-W222 VanDerWaalsContact CA-CZ3 3.42Å; V193-W222 HydrophobicContact CG2-CH2 4.18Å; R209-W222 CarbonylContact C-O 3.55Å; R209-W222 WeakPolarHBondContact CA-O 3.37Å; L210-W222 HydrophobicContact CB-CB 4.22Å; L210-W222 PolarHBondContact N-O 3.16Å; L210-W222 VanDerWaalsContact O-CD1 3.3Å; L210-W222 PolarHBondContact O-N 3.41Å; S212-W222 PolarHBondContact OG-NE1 3.39Å; C220-W222 HydrophobicContact CB-CZ2 3.98Å; W222-W231 HydrophobicContact CB-CE3 4.21Å; W222-G232 CarbonylContact C-O 3.56Å; W222-G232 VanDerWaalsContact CA-O 3.22Å; W222-G232 WeakPolarHBondContact CA-O 3.11Å; W222-L233 HydrophobicContact CD2-CD2 4.16Å; W222-L233 HydrophobicContact CE3-CD2 3.97Å; W222-L233 HydrophobicContact CE3-CG 4.3Å; W222-L233 HydrophobicContact CH2-CD2 4.03Å; W222-L233 HydrophobicContact CZ2-CD2 4.22Å; W222-L233 HydrophobicContact CZ3-CD2 3.9Å; W222-L233 HydrophobicContact CZ3-CG 4.07Å
223	Q	88	Confident	83.9	Confident	70 Å²	70	36.7 Å²	36.7	33%	0.327	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	146.6	175.2	-178.9	170.7	2.5	0	0	109.2	V208 R209 T225 W231 G232 C234	V208-Q223 HydrophobicContact CG1-CG 4.22Å; R209-Q223 HydrophobicContact CG-CB 4.23Å; R209-Q223 HydrophobicContact CG-CG 4.48Å; Q223-T225 PolarHBondContact O-N 2.83Å; Q223-W231 VanDerWaalsContact C-CE3 3.4Å; Q223-G232 PolarHBondContact N-O 2.56Å; Q223-G232 PolarHBondContact O-N 2.98Å; Q223-C234 VanDerWaalsContact CB-SG 3.51Å
224	Q	80.3	Confident	83.3	Confident	27 Å²	27	39.2 Å²	39.2	13%	0.126	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	133.4	174	-162.4	172.4	17.5	0	0	109.7	G228 D230 W231	Q224-G228 PolarHBondContact NE2-O 2.84Å; Q224-D230 CarbonylContact C-O 3.55Å; Q224-D230 WeakPolarHBondContact CA-O 3.41Å; Q224-W231 HydrophobicContact CB-CD2 4.24Å; Q224-W231 HydrophobicContact CB-CE3 4.37Å; Q224-W231 HydrophobicContact CB-CH2 3.95Å; Q224-W231 HydrophobicContact CB-CZ2 3.88Å; Q224-W231 HydrophobicContact CB-CZ3 4.25Å; Q224-W231 HydrophobicContact CG-CZ2 4.27Å; Q224-W231 VanDerWaalsContact N-CE3 3.35Å
225	T	76.5	Confident	82.3	Confident	50 Å²	50	42.2 Å²	42.2	31%	0.307	24%	0.242	S	C	.	.			trans	-65	155.9	176.6	60.1	0	0	0	0	110.2	Q223 A227 G228 D230	Q223-T225 PolarHBondContact O-N 2.83Å; T225-A227 PolarHBondContact O-N 3.47Å; T225-A227 VanDerWaalsContact O-N 3.08Å; T225-G228 PolarHBondContact O-N 3.35Å; T225-D230 HydrophobicContact CG2-CB 3.98Å; T225-D230 PolarHBondContact N-O 2.69Å; T225-D230 PolarHBondContact OG1-N 2.87Å; T225-D230 PolarHBondContact OG1-O 3.27Å
226	E	69.3	Low	81.3	Confident	180 Å²	180	45.6 Å²	45.6	84%	0.841	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-23.4	179.3	-63.7	-170	155.4	0	0	112.7	G228 K376	E226-G228 PolarHBondContact O-N 2.87Å; E226-K376 IonicContact OE1-NZ 3.99Å
227	A	66.7	Low	80.6	Confident	75 Å²	75	51.2 Å²	51.2	62%	0.62	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-10.2	173.3	0	0	0	0	0	113.6	T225 N229	T225-A227 PolarHBondContact O-N 3.47Å; T225-A227 VanDerWaalsContact O-N 3.08Å; A227-N229 PolarHBondContact O-N 2.91Å; A227-N229 VanDerWaalsContact O-N 3.09Å
228	G	65.7	Low	80.2	Confident	7 Å²	7	53.1 Å²	53.1	7%	0.072	31%	0.309	C	S	.	.	S	Bend	trans	73.8	-7.5	177.9	0	0	0	0	0	115	Q224 T225 E226	Q224-G228 PolarHBondContact NE2-O 2.84Å; T225-G228 PolarHBondContact O-N 3.35Å; E226-G228 PolarHBondContact O-N 2.87Å
229	N	65.8	Low	80	Confident	108 Å²	108	53.3 Å²	53.3	58%	0.578	31%	0.31	S	S	*	.	S	Bend	trans	-105.6	-10.7	-171.5	-65.8	-15.2	0	0	0	113.9	L187 A227	L187-N229 WeakPolarHBondContact CD1-O 3.42Å; L187-N229 WeakPolarHBondContact CD2-O 3.08Å; L187-N229 WeakPolarHBondContact CG-O 3.43Å; A227-N229 PolarHBondContact O-N 2.91Å; A227-N229 VanDerWaalsContact O-N 3.09Å
230	D	75.7	Confident	79.6	Confident	80 Å²	80	55.6 Å²	55.6	43%	0.428	32%	0.322	S	S	.	.			trans	-134	159.3	-176.8	-76.7	-43.5	0	0	0	111.5	Q224 T225	Q224-D230 CarbonylContact C-O 3.55Å; Q224-D230 WeakPolarHBondContact CA-O 3.41Å; T225-D230 HydrophobicContact CG2-CB 3.98Å; T225-D230 PolarHBondContact N-O 2.69Å; T225-D230 PolarHBondContact OG1-N 2.87Å; T225-D230 PolarHBondContact OG1-O 3.27Å
231	W	85.1	Confident	79	Confident	12 Å²	12	56 Å²	56	5%	0.045	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	122.4	171.9	-73.1	79.1	0	0	0	109.2	F178 S188 W203 V208 W222 Q223 Q224	F178-W231 HydrophobicContact CB-CB 4.45Å; F178-W231 HydrophobicContact CB-CG 4.12Å; F178-W231 HydrophobicContact CD1-CB 4.05Å; F178-W231 AromaticContact CD1-CD1 3.58Å; F178-W231 AromaticContact CD1-CD2 3.57Å; F178-W231 HydrophobicContact CD1-CD2 3.57Å; F178-W231 AromaticContact CD1-CE2 3.85Å; F178-W231 HydrophobicContact CD1-CE3 4.22Å; F178-W231 AromaticContact CD1-CG 3.44Å; F178-W231 HydrophobicContact CD1-CG 3.44Å; F178-W231 VanDerWaalsContact CD1-CG 3.44Å; F178-W231 AromaticContact CD1-NE1 3.78Å; F178-W231 HydrophobicContact CD2-CB 3.36Å; F178-W231 AromaticContact CD2-CG 3.71Å; F178-W231 HydrophobicContact CD2-CG 3.71Å; F178-W231 HydrophobicContact CE1-CB 4.07Å; F178-W231 AromaticContact CE1-CD2 3.4Å; F178-W231 HydrophobicContact CE1-CD2 3.4Å; F178-W231 VanDerWaalsContact CE1-CD2 3.4Å; F178-W231 AromaticContact CE1-CE2 3.99Å; F178-W231 AromaticContact CE1-CE3 3.57Å; F178-W231 HydrophobicContact CE1-CE3 3.57Å; F178-W231 AromaticContact CE1-CG 3.62Å; F178-W231 HydrophobicContact CE1-CG 3.62Å; F178-W231 HydrophobicContact CE1-CZ3 4.31Å; F178-W231 HydrophobicContact CE2-CB 3.41Å; F178-W231 VanDerWaalsContact CE2-CB 3.41Å; F178-W231 HydrophobicContact CE2-CD2 4.4Å; F178-W231 AromaticContact CE2-CG 3.9Å; F178-W231 HydrophobicContact CE2-CG 3.9Å; F178-W231 HydrophobicContact CG-CB 3.69Å; F178-W231 AromaticContact CG-CD1 3.53Å; F178-W231 HydrophobicContact CG-CD2 4.13Å; F178-W231 AromaticContact CG-CG 3.47Å; F178-W231 HydrophobicContact CG-CG 3.47Å; F178-W231 VanDerWaalsContact CG-CG 3.47Å; F178-W231 HydrophobicContact CZ-CB 3.77Å; F178-W231 AromaticContact CZ-CD2 3.86Å; F178-W231 HydrophobicContact CZ-CD2 3.86Å; F178-W231 AromaticContact CZ-CE3 3.81Å; F178-W231 HydrophobicContact CZ-CE3 3.81Å; F178-W231 AromaticContact CZ-CG 3.85Å; F178-W231 HydrophobicContact CZ-CG 3.85Å; S188-W231 PolarHBondContact OG-N 3.42Å; W203-W231 HydrophobicContact CE3-CH2 4.46Å; W203-W231 AromaticContact CH2-CH2 3.9Å; W203-W231 HydrophobicContact CH2-CH2 3.9Å; W203-W231 AromaticContact CH2-CZ2 3.8Å; W203-W231 HydrophobicContact CH2-CZ2 3.8Å; W203-W231 HydrophobicContact CH2-CZ3 4.38Å; W203-W231 AromaticContact CZ3-CH2 3.37Å; W203-W231 HydrophobicContact CZ3-CH2 3.37Å; W203-W231 AromaticContact CZ3-CZ2 3.72Å; W203-W231 HydrophobicContact CZ3-CZ2 3.72Å; W203-W231 AromaticContact CZ3-CZ3 3.89Å; W203-W231 HydrophobicContact CZ3-CZ3 3.89Å; V208-W231 WeakPolarHBondContact O-CZ3 3.3Å; W222-W231 HydrophobicContact CB-CE3 4.21Å; Q223-W231 VanDerWaalsContact C-CE3 3.4Å; Q224-W231 HydrophobicContact CB-CD2 4.24Å; Q224-W231 HydrophobicContact CB-CE3 4.37Å; Q224-W231 HydrophobicContact CB-CH2 3.95Å; Q224-W231 HydrophobicContact CB-CZ2 3.88Å; Q224-W231 HydrophobicContact CB-CZ3 4.25Å; Q224-W231 HydrophobicContact CG-CZ2 4.27Å; Q224-W231 VanDerWaalsContact N-CE3 3.35Å
232	G	82.9	Confident	78.3	Confident	26 Å²	26	59.9 Å²	59.9	27%	0.268	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	167.6	177.2	0	0	0	0	0	111.5	W222 Q223	W222-G232 CarbonylContact C-O 3.56Å; W222-G232 VanDerWaalsContact CA-O 3.22Å; W222-G232 WeakPolarHBondContact CA-O 3.11Å; Q223-G232 PolarHBondContact N-O 2.56Å; Q223-G232 PolarHBondContact O-N 2.98Å
233	L	85.3	Confident	77.7	Confident	53 Å²	53	67.7 Å²	67.7	28%	0.277	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	136.6	168.3	-72.5	171.3	0	0	0	110.3	V193 C220 L221 W222 S235	V193-L233 HydrophobicContact CB-CD1 4.46Å; V193-L233 HydrophobicContact CG1-CD1 4.06Å; V193-L233 HydrophobicContact CG1-CD2 4.48Å; V193-L233 HydrophobicContact CG2-CD1 3.56Å; V193-L233 HydrophobicContact CG2-CD2 4.29Å; V193-L233 HydrophobicContact CG2-CG 4.16Å; C220-L233 HydrophobicContact CB-CD2 3.77Å; L221-L233 WeakPolarHBondContact O-CA 3.45Å; W222-L233 HydrophobicContact CD2-CD2 4.16Å; W222-L233 HydrophobicContact CE3-CD2 3.97Å; W222-L233 HydrophobicContact CE3-CG 4.3Å; W222-L233 HydrophobicContact CH2-CD2 4.03Å; W222-L233 HydrophobicContact CZ2-CD2 4.22Å; W222-L233 HydrophobicContact CZ3-CD2 3.9Å; W222-L233 HydrophobicContact CZ3-CG 4.07Å; L233-S235 WeakPolarHBondContact CB-O 3.29Å; L233-S235 PolarHBondContact O-N 2.88Å
234	C	81.2	Confident	77.2	Confident	53 Å²	53	65.2 Å²	65.2	36%	0.358	38%	0.375	S	S	.	.	S	Bend	trans	-62.9	-33.6	173.2	-58.2	0	0	0	0	112	L221 Q223	L221-C234 HydrophobicContact CB-CB 4.11Å; L221-C234 PolarHBondContact O-N 3.14Å; Q223-C234 VanDerWaalsContact CB-SG 3.51Å
235	S	73.5	Confident	77.1	Confident	63 Å²	63	66.6 Å²	66.6	44%	0.441	39%	0.391	S	S	.	.	S	Bend	trans	-137.6	146.5	-177.1	175.4	0	0	0	0	109.4	L233 N237	L233-S235 WeakPolarHBondContact CB-O 3.29Å; L233-S235 PolarHBondContact O-N 2.88Å; S235-N237 PolarHBondContact O-N 3.15Å; S235-N237 PolarHBondContact OG-N 2.75Å
236	T	71.7	Confident	77	Confident	124 Å²	124	68.9 Å²	68.9	76%	0.761	42%	0.415	S	S	*	.	S	Bend	trans	-62.5	-26.1	175.8	52.3	0	0	0	0	112.5
237	N	73.8	Confident	77.5	Confident	118 Å²	118	62.6 Å²	62.6	63%	0.631	39%	0.389	S	S	*	.	S	Bend	trans	-106.3	122	-177.7	-69.5	-33.4	0	0	0	111.1	S235	S235-N237 PolarHBondContact O-N 3.15Å; S235-N237 PolarHBondContact OG-N 2.75Å
238	P	82.7	Confident	78	Confident	40 Å²	40	63.7 Å²	63.7	26%	0.26	39%	0.39	S	S	.	.			trans	-67	151.7	172.1	30.1	-34.7	0	0	0	110.6	M218 I219	M218-P238 HydrophobicContact CB-CB 4.4Å; M218-P238 HydrophobicContact SD-CG 4.36Å; I219-P238 CarbonylContact O-C 3.52Å; I219-P238 WeakPolarHBondContact O-CA 3.48Å
239	L	86.1	Confident	78.4	Confident	17 Å²	17	64.9 Å²	64.9	9%	0.089	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	130.1	175.8	-43.5	178.6	0	0	0	109.3	I219 L221 W285	I219-L239 HydrophobicContact CB-CB 4.1Å; I219-L239 HydrophobicContact CD1-CB 4.22Å; I219-L239 PolarHBondContact N-O 3.44Å; I219-L239 PolarHBondContact O-N 3.47Å; L221-L239 HydrophobicContact CD1-CD1 4.01Å; L221-L239 HydrophobicContact CG-CD1 4.4Å; L239-W285 HydrophobicContact CB-CD2 4.5Å; L239-W285 HydrophobicContact CB-CE3 4.18Å; L239-W285 HydrophobicContact CB-CZ3 4.19Å; L239-W285 HydrophobicContact CD1-CB 4.44Å; L239-W285 HydrophobicContact CD1-CD2 4.42Å; L239-W285 HydrophobicContact CD1-CE3 4.24Å
240	I	84.4	Confident	78.7	Confident	48 Å²	48	69.9 Å²	69.9	25%	0.246	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	135.1	-177.6	-168.8	161.5	0	0	0	107.6	M218 A245 W285	M218-I240 HydrophobicContact CG-CD1 3.82Å; I240-A245 HydrophobicContact CD1-CB 4.33Å; I240-A245 HydrophobicContact CG1-CB 4.39Å; I240-A245 HydrophobicContact CG2-CB 4.23Å; I240-W285 WeakPolarHBondContact O-CH2 3.44Å
241	K	81.4	Confident	78.9	Confident	10 Å²	10	68.2 Å²	68.2	4%	0.043	40%	0.404	C	S	.	.			trans	-59	132	174.3	-65.8	-170.4	-155.5	172.6	0	108.5	Q243 L244 A245 Y277 D279 S281 V283 W285	K241-Q243 PolarHBondContact O-N 3.29Å; K241-Q243 VanDerWaalsContact O-N 3.14Å; K241-L244 HydrophobicContact CB-CB 4.11Å; K241-L244 HydrophobicContact CB-CD1 4Å; K241-L244 HydrophobicContact CB-CG 3.89Å; K241-L244 HydrophobicContact CD-CD1 3.91Å; K241-L244 HydrophobicContact CD-CG 4.25Å; K241-L244 HydrophobicContact CG-CD1 4.1Å; K241-L244 HydrophobicContact CG-CG 4.47Å; K241-L244 WeakPolarHBondContact O-CA 3.23Å; K241-L244 PolarHBondContact O-N 3.34Å; K241-A245 PolarHBondContact O-N 2.73Å; K241-Y277 HydrophobicContact CD-CE1 4.41Å; K241-Y277 HydrophobicContact CD-CE2 4.4Å; K241-Y277 VanDerWaalsContact CE-CE1 3.47Å; K241-Y277 VanDerWaalsContact CE-CG 3.4Å; K241-Y277 HydrophobicContact CG-CE1 4.33Å; K241-D279 IonicContact NZ-OD1 3.49Å; K241-D279 PolarHBondContact NZ-OD1 3.03Å; K241-D279 IonicContact NZ-OD2 3.5Å; K241-D279 PolarHBondContact NZ-OD2 3.04Å; K241-S281 PolarHBondContact NZ-OG 2.9Å; K241-V283 HydrophobicContact CD-CG2 4.03Å; K241-V283 VanDerWaalsContact CE-CG2 3.41Å; K241-V283 HydrophobicContact CG-CG2 4.49Å; K241-W285 HydrophobicContact CG-CH2 4.49Å; K241-W285 HydrophobicContact CG-CZ2 3.84Å
242	P	78.2	Confident	78.5	Confident	95 Å²	95	75.4 Å²	75.4	62%	0.617	44%	0.436	S	S	*	.	H	α-helix	trans	-53	-39.5	179.1	-28.5	34.9	0	0	0	112.7	L244 A245	P242-L244 VanDerWaalsContact C-N 3.35Å; P242-L244 PolarHBondContact O-N 3.04Å; P242-A245 WeakPolarHBondContact O-CB 3.4Å; P242-A245 PolarHBondContact O-N 2.76Å
243	Q	77.1	Confident	78.4	Confident	165 Å²	165	75.7 Å²	75.7	77%	0.771	44%	0.438	S	S	*	.	H	α-helix	trans	-64.7	-35.2	176.7	-64	174	-6.9	0	0	113.2	K241	K241-Q243 PolarHBondContact O-N 3.29Å; K241-Q243 VanDerWaalsContact O-N 3.14Å
244	L	78.7	Confident	78.4	Confident	18 Å²	18	73.5 Å²	73.5	9%	0.094	43%	0.427	C	S	.	.	H	α-helix	trans	-79.9	-26.2	178.8	-63.1	179.6	0	0	0	111.5	K241 P242 A246 T247 R254 Y277	K241-L244 HydrophobicContact CB-CB 4.11Å; K241-L244 HydrophobicContact CB-CD1 4Å; K241-L244 HydrophobicContact CB-CG 3.89Å; K241-L244 HydrophobicContact CD-CD1 3.91Å; K241-L244 HydrophobicContact CD-CG 4.25Å; K241-L244 HydrophobicContact CG-CD1 4.1Å; K241-L244 HydrophobicContact CG-CG 4.47Å; K241-L244 WeakPolarHBondContact O-CA 3.23Å; K241-L244 PolarHBondContact O-N 3.34Å; P242-L244 VanDerWaalsContact C-N 3.35Å; P242-L244 PolarHBondContact O-N 3.04Å; L244-A246 PolarHBondContact O-N 3.21Å; L244-A246 VanDerWaalsContact O-N 3.13Å; L244-T247 PolarHBondContact O-N 2.9Å; L244-T247 PolarHBondContact O-OG1 3.46Å; L244-R254 HydrophobicContact CD2-CG 4.28Å; L244-R254 PolarHBondContact O-NH1 3.07Å; L244-Y277 HydrophobicContact CD1-CD1 4.08Å; L244-Y277 HydrophobicContact CD1-CE1 4.13Å
245	A	77.1	Confident	78.9	Confident	56 Å²	56	74.1 Å²	74.1	46%	0.463	42%	0.421	S	S	.	.	H	α-helix	trans	-54.4	-34.8	-178	0	0	0	0	0	113.5	I240 K241 P242	I240-A245 HydrophobicContact CD1-CB 4.33Å; I240-A245 HydrophobicContact CG1-CB 4.39Å; I240-A245 HydrophobicContact CG2-CB 4.23Å; K241-A245 PolarHBondContact O-N 2.73Å; P242-A245 WeakPolarHBondContact O-CB 3.4Å; P242-A245 PolarHBondContact O-N 2.76Å
246	A	75.7	Confident	80	Confident	98 Å²	98	71.1 Å²	71.1	81%	0.81	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-17.4	178.2	0	0	0	0	0	114.6	L244	L244-A246 PolarHBondContact O-N 3.21Å; L244-A246 VanDerWaalsContact O-N 3.13Å
247	T	78.5	Confident	81.1	Confident	49 Å²	49	68.7 Å²	68.7	30%	0.301	38%	0.377	S	S	.	.	S	Bend	trans	-83.3	154.6	-178.9	63.8	0	0	0	0	111.2	L244 A249 R254	L244-T247 PolarHBondContact O-N 2.9Å; L244-T247 PolarHBondContact O-OG1 3.46Å; T247-A249 PolarHBondContact O-N 3.04Å; T247-R254 PolarHBondContact O-NH1 2.82Å; T247-R254 VanDerWaalsContact OG1-CD 3.26Å; T247-R254 WeakPolarHBondContact OG1-CD 3.4Å; T247-R254 PolarHBondContact OG1-NH1 2.94Å
248	P	77.9	Confident	82.1	Confident	98 Å²	98	64 Å²	64	64%	0.636	35%	0.353	S	S	*	.			trans	-60.5	137.7	174	-24.5	34.4	0	0	0	111.7	R250 S251 R254	P248-R250 PolarHBondContact O-N 3.37Å; P248-S251 WeakPolarHBondContact O-CB 3.37Å; P248-S251 PolarHBondContact O-N 3.09Å; P248-R254 WeakPolarHBondContact O-CD 3.41Å
249	A	73.3	Confident	82.8	Confident	31 Å²	31	62.8 Å²	62.8	26%	0.256	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-23.5	-177.4	0	0	0	0	0	114.1	G216 T247 S251	G216-A249 VanDerWaalsContact CA-O 3.23Å; G216-A249 WeakPolarHBondContact CA-O 3.29Å; T247-A249 PolarHBondContact O-N 3.04Å; A249-S251 VanDerWaalsContact C-N 3.34Å
250	R	73.1	Confident	83.4	Confident	213 Å²	213	62.8 Å²	62.8	80%	0.804	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	0.4	177.5	-64.2	-178.3	-179	-108.7	0.9	114	P248 K252	P248-R250 PolarHBondContact O-N 3.37Å; R250-K252 PolarHBondContact O-N 3.41Å
251	S	80.2	Confident	84	Confident	46 Å²	46	61.1 Å²	61.1	32%	0.322	34%	0.337	S	S	.	.			trans	-62.7	132.7	-179.2	177.2	0	0	0	0	111.2	P248 A249 G253 R254	P248-S251 WeakPolarHBondContact O-CB 3.37Å; P248-S251 PolarHBondContact O-N 3.09Å; A249-S251 VanDerWaalsContact C-N 3.34Å; S251-G253 PolarHBondContact O-N 3.47Å; S251-R254 PolarHBondContact O-N 3.44Å
252	K	76.5	Confident	84.7	Confident	163 Å²	163	62.4 Å²	62.4	71%	0.709	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-60.9	-27.7	-178.1	-70.2	-174	179.9	-180	0	113	R250 R254 W255 Q278	R250-K252 PolarHBondContact O-N 3.41Å; K252-R254 PolarHBondContact O-N 3.35Å; K252-W255 HydrophobicContact CG-CZ2 4.34Å; K252-W255 PolarHBondContact O-NE1 3.43Å; K252-Q278 WeakPolarHBondContact O-CG 3.05Å
253	G	79.3	Confident	85.5	Confident	31 Å²	31	58 Å²	58	32%	0.32	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-71.2	-8.9	-180	0	0	0	0	0	114.8	S251	S251-G253 PolarHBondContact O-N 3.47Å
254	R	86	Confident	86.3	Confident	7 Å²	7	50.3 Å²	50.3	3%	0.026	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-89.6	-11.1	-172.1	-61	-177.9	66.5	133.7	6.2	114.6	Q215 G216 G217 L244 T247 P248 S251 K252 I256	Q215-R254 CarbonylContact O-C 3.58Å; G216-R254 PolarHBondContact O-NE 3.35Å; G216-R254 PolarHBondContact O-NH2 3.36Å; G217-R254 WeakPolarHBondContact CA-O 3.42Å; G217-R254 PolarHBondContact N-O 3.36Å; G217-R254 VanDerWaalsContact N-O 3.12Å; L244-R254 HydrophobicContact CD2-CG 4.28Å; L244-R254 PolarHBondContact O-NH1 3.07Å; T247-R254 PolarHBondContact O-NH1 2.82Å; T247-R254 VanDerWaalsContact OG1-CD 3.26Å; T247-R254 WeakPolarHBondContact OG1-CD 3.4Å; T247-R254 PolarHBondContact OG1-NH1 2.94Å; P248-R254 WeakPolarHBondContact O-CD 3.41Å; S251-R254 PolarHBondContact O-N 3.44Å; K252-R254 PolarHBondContact O-N 3.35Å; R254-I256 PolarHBondContact O-N 3.23Å
255	W	92.3	Very high	87	Confident	66 Å²	66	51.1 Å²	51.1	25%	0.25	28%	0.28	C	S	.	.			trans	-63.8	131.8	-162.8	-51.9	1.8	0	0	0	111.3	L199 Q215 K252 Y277 Q278	L199-W255 HydrophobicContact CD1-CB 4.39Å; Q215-W255 HydrophobicContact CB-CG 4.43Å; Q215-W255 HydrophobicContact CG-CB 4.34Å; Q215-W255 HydrophobicContact CG-CD2 3.64Å; Q215-W255 VanDerWaalsContact CG-CE2 3.47Å; Q215-W255 HydrophobicContact CG-CG 3.52Å; Q215-W255 HydrophobicContact CG-CZ2 4.22Å; Q215-W255 VanDerWaalsContact O-CA 3.3Å; Q215-W255 WeakPolarHBondContact O-CA 3.24Å; Q215-W255 PolarHBondContact O-N 3.43Å; K252-W255 HydrophobicContact CG-CZ2 4.34Å; K252-W255 PolarHBondContact O-NE1 3.43Å; W255-Y277 CarbonylContact O-C 3.17Å; W255-Y277 WeakPolarHBondContact O-CA 3.12Å; W255-Q278 HydrophobicContact CB-CB 3.9Å; W255-Q278 HydrophobicContact CB-CG 4.46Å; W255-Q278 HydrophobicContact CG-CB 4.46Å; W255-Q278 WeakPolarHBondContact O-CB 3.3Å; W255-Q278 PolarHBondContact O-N 3.03Å
256	I	95.1	Very high	87.8	Confident	0 Å²	0	51 Å²	51	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	126.4	166.2	-64.7	157.2	0	0	0	107.5	C200 C214 M218 I219 R254 L259 V275 Y277	C200-I256 VanDerWaalsContact SG-CG2 3.57Å; C214-I256 PolarHBondContact O-N 3.21Å; M218-I256 WeakPolarHBondContact O-CD1 3.36Å; I219-I256 HydrophobicContact CG1-CD1 3.56Å; R254-I256 PolarHBondContact O-N 3.23Å; I256-L259 HydrophobicContact CG2-CD2 3.94Å; I256-L259 HydrophobicContact CG2-CG 4.29Å; I256-V275 HydrophobicContact CB-CG1 4.46Å; I256-V275 HydrophobicContact CD1-CG1 4.47Å; I256-V275 HydrophobicContact CG1-CG1 4.05Å; I256-V275 HydrophobicContact CG2-CG1 3.58Å; I256-Y277 HydrophobicContact CD1-CE1 4.22Å; I256-Y277 HydrophobicContact CG1-CD1 3.88Å; I256-Y277 HydrophobicContact CG1-CE1 3.6Å
257	R	94.9	Very high	88.5	Confident	74 Å²	74	47.1 Å²	47.1	28%	0.279	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-33.5	-174.9	-64.3	-60.1	-62.6	-120.1	3.5	112.8	A276 V303	R257-A276 PolarHBondContact N-O 2.85Å; R257-V303 WeakPolarHBondContact CB-O 3.33Å; R257-V303 WeakPolarHBondContact CG-O 3.26Å
258	S	96.6	Very high	88.9	Confident	18 Å²	18	46.1 Å²	46.1	13%	0.126	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	150.8	-176.3	-176.1	0	0	0	0	111.1	A276 V306	S258-A276 PolarHBondContact O-N 2.91Å; S258-V306 PolarHBondContact OG-N 2.95Å; S258-V306 VanDerWaalsContact OG-N 3.1Å; S258-V306 PolarHBondContact OG-O 2.89Å
259	L	97.2	Very high	89.2	Confident	16 Å²	16	47 Å²	47	8%	0.084	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	137.3	-179.6	-64.9	174.3	0	0	0	108.2	C200 A202 A211 I256 L273 V275	C200-L259 HydrophobicContact CB-CD1 4.42Å; C200-L259 HydrophobicContact CB-CG 4.43Å; A202-L259 HydrophobicContact CB-CB 3.68Å; A202-L259 HydrophobicContact CB-CD1 4.42Å; A211-L259 HydrophobicContact CB-CD1 4.13Å; I256-L259 HydrophobicContact CG2-CD2 3.94Å; I256-L259 HydrophobicContact CG2-CG 4.29Å; L259-L273 HydrophobicContact CB-CD1 4.42Å; L259-L273 HydrophobicContact CD2-CD2 4.32Å; L259-V275 HydrophobicContact CD2-CB 4.04Å; L259-V275 HydrophobicContact CD2-CG1 3.69Å; L259-V275 HydrophobicContact CD2-CG2 3.49Å; L259-V275 VanDerWaalsContact CD2-CG2 3.49Å
260	S	97.1	Very high	90	Very high	16 Å²	16	45.5 Å²	45.5	11%	0.112	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	120.7	172.2	-171.5	0	0	0	0	110.1	A274 W308	S260-A274 PolarHBondContact N-O 2.93Å; S260-A274 PolarHBondContact O-N 2.68Å; S260-W308 WeakPolarHBondContact OG-CB 3.45Å; S260-W308 PolarHBondContact OG-N 2.81Å
261	W	97.2	Very high	90.9	Very high	13 Å²	13	40 Å²	40	5%	0.049	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	152.6	171.1	-69.6	93.2	0	0	0	110.7	A202 W203 P205 R209 A211 L221 C270 L273 T287 W308	A202-W261 PolarHBondContact O-NE1 3.07Å; W203-W261 PolarHBondContact O-NE1 3Å; P205-W261 HydrophobicContact CG-CB 4.22Å; R209-W261 HydrophobicContact CB-CH2 4.43Å; R209-W261 HydrophobicContact CB-CZ2 4.46Å; A211-W261 HydrophobicContact CB-CZ2 3.68Å; L221-W261 HydrophobicContact CD2-CH2 4.01Å; L221-W261 HydrophobicContact CD2-CZ2 4.17Å; W261-C270 HydrophobicContact CE3-CB 4.42Å; W261-C270 WeakPolarHBondContact CZ3-O 3.42Å; W261-L273 HydrophobicContact CD2-CD1 3.77Å; W261-L273 HydrophobicContact CE3-CB 4.25Å; W261-L273 HydrophobicContact CE3-CD1 4.31Å; W261-L273 HydrophobicContact CG-CD1 3.87Å; W261-L273 HydrophobicContact CZ3-CB 4.4Å; W261-T287 HydrophobicContact CH2-CG2 3.73Å; W261-T287 HydrophobicContact CZ3-CG2 3.56Å; W261-W308 WeakPolarHBondContact O-CB 3.49Å
262	R	96.4	Very high	91.6	Very high	37 Å²	37	40 Å²	40	14%	0.14	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-67.5	135.7	165.5	-168.8	165.7	-173.8	-129.5	-0.4	109.1	L266 D267 Q272 W308 D312	R262-L266 HydrophobicContact CG-CB 4.25Å; R262-L266 PolarHBondContact NH1-O 2.9Å; R262-L266 VanDerWaalsContact NH1-O 3.11Å; R262-D267 HydrophobicContact CB-CB 4.12Å; R262-D267 HydrophobicContact CG-CB 3.93Å; R262-Q272 HydrophobicContact CB-CB 3.95Å; R262-Q272 PolarHBondContact N-O 3.07Å; R262-W308 HydrophobicContact CB-CD2 3.93Å; R262-W308 HydrophobicContact CB-CE3 3.85Å; R262-W308 HydrophobicContact CB-CH2 3.87Å; R262-W308 HydrophobicContact CB-CZ2 3.91Å; R262-W308 HydrophobicContact CB-CZ3 3.83Å; R262-W308 HydrophobicContact CG-CD2 4.08Å; R262-W308 HydrophobicContact CG-CE3 4.45Å; R262-W308 HydrophobicContact CG-CH2 4.09Å; R262-W308 HydrophobicContact CG-CZ2 3.63Å; R262-W308 HydrophobicContact CG-CZ3 4.47Å; R262-D312 IonicContact CZ-OD1 3.35Å; R262-D312 IonicContact CZ-OD2 3.81Å; R262-D312 IonicContact NE-OD1 2.63Å; R262-D312 PolarHBondContact NE-OD1 2.81Å; R262-D312 IonicContact NE-OD2 2.7Å; R262-D312 IonicContact NH2-OD1 3.47Å; R262-D312 IonicContact NH2-OD2 2.88Å; R262-D312 PolarHBondContact NH2-OD2 3.35Å
263	P	95.9	Very high	92.6	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.013	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-56.1	144.6	-179.3	-32	38.6	0	0	0	114.4	H265 L266 D267 L355	P263-H265 VanDerWaalsContact C-N 3.28Å; P263-H265 VanDerWaalsContact CB-CE1 3.44Å; P263-H265 WeakPolarHBondContact CB-CE1 3.45Å; P263-H265 PolarHBondContact O-N 2.95Å; P263-L266 HydrophobicContact CB-CD1 4.31Å; P263-L266 HydrophobicContact CB-CG 4.49Å; P263-L266 HydrophobicContact CG-CD1 4.24Å; P263-L266 PolarHBondContact O-N 3.16Å; P263-D267 PolarHBondContact O-N 3.39Å; P263-L355 HydrophobicContact CB-CD2 3.77Å; P263-L355 HydrophobicContact CG-CD1 4.41Å; P263-L355 HydrophobicContact CG-CD2 3.83Å
264	L	93.4	Very high	93.4	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.021	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-38	-175.4	-170.3	57.1	0	0	0	113.5	P205 D206 L266 D267 G268 C270 A359 L384 A388	P205-L264 HydrophobicContact CB-CB 3.88Å; D206-L264 HydrophobicContact CB-CD1 4.14Å; L264-L266 VanDerWaalsContact C-N 3.26Å; L264-L266 PolarHBondContact O-N 3.13Å; L264-D267 CarbonylContact O-C 3.55Å; L264-D267 PolarHBondContact O-N 2.82Å; L264-G268 WeakPolarHBondContact O-CA 3.46Å; L264-G268 PolarHBondContact O-N 2.99Å; L264-C270 WeakPolarHBondContact CD1-SG 3.42Å; L264-A359 HydrophobicContact CD2-CB 3.96Å; L264-L384 HydrophobicContact CD2-CB 4.37Å; L264-A388 HydrophobicContact CB-CB 4.03Å; L264-A388 HydrophobicContact CD2-CB 3.97Å; L264-A388 HydrophobicContact CG-CB 4.22Å
265	H	92.9	Very high	94	Very high	35 Å²	35	30.4 Å²	30.4	16%	0.162	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-16.1	-178.9	66.7	-76.4	0	0	0	113.9	P263 G310 A388 K389 Y392	P263-H265 VanDerWaalsContact C-N 3.28Å; P263-H265 VanDerWaalsContact CB-CE1 3.44Å; P263-H265 WeakPolarHBondContact CB-CE1 3.45Å; P263-H265 PolarHBondContact O-N 2.95Å; H265-G310 PolarHBondContact NE2-O 3.37Å; H265-A388 HydrophobicContact CB-CB 4.47Å; H265-K389 HydrophobicContact CB-CB 3.75Å; H265-K389 HydrophobicContact CB-CG 4.34Å; H265-Y392 AromaticContact NE2-CD1 3.92Å
266	L	93.7	Very high	94.1	Very high	53 Å²	53	27.2 Å²	27.2	28%	0.277	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-23.4	174.7	-62.3	174.9	0	0	0	112.1	R262 P263 L264 D312	R262-L266 HydrophobicContact CG-CB 4.25Å; R262-L266 PolarHBondContact NH1-O 2.9Å; R262-L266 VanDerWaalsContact NH1-O 3.11Å; P263-L266 HydrophobicContact CB-CD1 4.31Å; P263-L266 HydrophobicContact CB-CG 4.49Å; P263-L266 HydrophobicContact CG-CD1 4.24Å; P263-L266 PolarHBondContact O-N 3.16Å; L264-L266 VanDerWaalsContact C-N 3.26Å; L264-L266 PolarHBondContact O-N 3.13Å; L266-D312 HydrophobicContact CD1-CB 3.63Å
267	D	90.8	Very high	94.1	Very high	17 Å²	17	27.2 Å²	27.2	9%	0.091	13%	0.132	C	C	.	.			trans	-143.8	85	-177.9	-174	-0.1	0	0	0	109.3	R262 P263 L264 E269 C270 R271 Q272	R262-D267 HydrophobicContact CB-CB 4.12Å; R262-D267 HydrophobicContact CG-CB 3.93Å; P263-D267 PolarHBondContact O-N 3.39Å; L264-D267 CarbonylContact O-C 3.55Å; L264-D267 PolarHBondContact O-N 2.82Å; D267-E269 PolarHBondContact O-N 3.46Å; D267-E269 VanDerWaalsContact O-N 3.09Å; D267-E269 PolarHBondContact OD1-N 2.83Å; D267-C270 PolarHBondContact O-N 3.4Å; D267-C270 PolarHBondContact OD1-N 2.97Å; D267-R271 VanDerWaalsContact CG-N 3.29Å; D267-R271 PolarHBondContact OD1-N 2.98Å; D267-R271 WeakPolarHBondContact OD2-CA 3.49Å; D267-R271 PolarHBondContact OD2-N 3.35Å; D267-Q272 PolarHBondContact OD2-N 3.13Å
268	G	86.2	Confident	94	Very high	29 Å²	29	25.6 Å²	25.6	30%	0.299	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-13.5	-177.6	0	0	0	0	0	114.1	L264	L264-G268 WeakPolarHBondContact O-CA 3.46Å; L264-G268 PolarHBondContact O-N 2.99Å
269	E	85.8	Confident	93.7	Very high	115 Å²	115	27.6 Å²	27.6	54%	0.537	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-1.1	174.1	-60.9	-166.2	148.5	0	0	113	R209 D267 R271	R209-E269 PolarHBondContact NH2-O 3.02Å; D267-E269 PolarHBondContact O-N 3.46Å; D267-E269 VanDerWaalsContact O-N 3.09Å; D267-E269 PolarHBondContact OD1-N 2.83Å; E269-R271 PolarHBondContact O-N 3.44Å
270	C	90	Very high	93.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.142	C	C	.	.			trans	46.3	48.2	-173.5	-65.3	0	0	0	0	111.8	R209 W261 L264 D267	R209-C270 PolarHBondContact NH2-O 3.18Å; W261-C270 HydrophobicContact CE3-CB 4.42Å; W261-C270 WeakPolarHBondContact CZ3-O 3.42Å; L264-C270 WeakPolarHBondContact CD1-SG 3.42Å; D267-C270 PolarHBondContact O-N 3.4Å; D267-C270 PolarHBondContact OD1-N 2.97Å
271	R	92.1	Very high	93.4	Very high	97 Å²	97	27.8 Å²	27.8	37%	0.366	14%	0.139	S	C	.	.			trans	-83.3	-32.1	-174.3	-175.1	170.8	172.1	-173.2	-4.9	112.5	D267 E269 D286 T287	D267-R271 VanDerWaalsContact CG-N 3.29Å; D267-R271 PolarHBondContact OD1-N 2.98Å; D267-R271 WeakPolarHBondContact OD2-CA 3.49Å; D267-R271 PolarHBondContact OD2-N 3.35Å; E269-R271 PolarHBondContact O-N 3.44Å; R271-D286 WeakPolarHBondContact CD-OD1 3.21Å; R271-D286 WeakPolarHBondContact CG-OD1 3.42Å; R271-D286 IonicContact CZ-OD1 3.92Å; R271-D286 IonicContact CZ-OD2 2.63Å; R271-D286 IonicContact NE-OD1 2.84Å; R271-D286 PolarHBondContact NE-OD1 3.08Å; R271-D286 IonicContact NE-OD2 3.77Å; R271-D286 PolarHBondContact NE-OD2 3.21Å; R271-D286 IonicContact NH2-OD1 2.79Å; R271-D286 IonicContact NH2-OD2 2.95Å; R271-D286 PolarHBondContact NH2-OD2 3.09Å; R271-T287 WeakPolarHBondContact O-CB 3.43Å; R271-T287 WeakPolarHBondContact O-CG2 3.34Å; R271-T287 PolarHBondContact O-N 3.3Å; R271-T287 PolarHBondContact O-OG1 2.93Å
272	Q	95	Very high	93.3	Very high	46 Å²	46	27.2 Å²	27.2	22%	0.215	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	135.3	-172.2	-60.9	-174.8	10.7	0	0	113.6	R262 D267 I284 W285 I293 W308	R262-Q272 HydrophobicContact CB-CB 3.95Å; R262-Q272 PolarHBondContact N-O 3.07Å; D267-Q272 PolarHBondContact OD2-N 3.13Å; Q272-I284 HydrophobicContact CB-CG2 4.32Å; Q272-W285 WeakPolarHBondContact CA-O 3.22Å; Q272-I293 HydrophobicContact CG-CD1 4Å; Q272-W308 HydrophobicContact CB-CH2 3.77Å; Q272-W308 HydrophobicContact CB-CZ3 4.04Å; Q272-W308 VanDerWaalsContact OE1-CH2 3.3Å
273	L	96.4	Very high	93.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	118.8	178.7	178.3	70	0	0	0	110.5	A211 I219 L259 W261 V275 I284 W285 T287	A211-L273 HydrophobicContact CB-CD1 4.26Å; A211-L273 HydrophobicContact CB-CD2 3.67Å; I219-L273 HydrophobicContact CG2-CD2 4.13Å; L259-L273 HydrophobicContact CB-CD1 4.42Å; L259-L273 HydrophobicContact CD2-CD2 4.32Å; W261-L273 HydrophobicContact CD2-CD1 3.77Å; W261-L273 HydrophobicContact CE3-CB 4.25Å; W261-L273 HydrophobicContact CE3-CD1 4.31Å; W261-L273 HydrophobicContact CG-CD1 3.87Å; W261-L273 HydrophobicContact CZ3-CB 4.4Å; L273-V275 HydrophobicContact CD2-CG2 3.95Å; L273-V275 HydrophobicContact CG-CG2 3.84Å; L273-I284 WeakPolarHBondContact O-CA 3.31Å; L273-W285 PolarHBondContact N-O 3.43Å; L273-W285 PolarHBondContact O-N 2.96Å; L273-T287 HydrophobicContact CB-CG2 3.66Å; L273-T287 HydrophobicContact CD2-CG2 4.3Å
274	A	97.2	Very high	93.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	131.9	171.6	0	0	0	0	0	110.4	S260 V306 W308 I314	S260-A274 PolarHBondContact N-O 2.93Å; S260-A274 PolarHBondContact O-N 2.68Å; A274-V306 HydrophobicContact CB-CG2 4.28Å; A274-W308 HydrophobicContact CB-CE3 3.64Å; A274-W308 HydrophobicContact CB-CZ3 3.81Å; A274-I314 HydrophobicContact CB-CD1 4.32Å
275	V	97	Very high	93.3	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	121.7	-174.9	-176.8	0	0	0	0	110.2	I219 I256 L259 L273 Y277 I282 V283	I219-V275 HydrophobicContact CD1-CB 4.35Å; I219-V275 HydrophobicContact CD1-CG1 4.11Å; I219-V275 HydrophobicContact CD1-CG2 3.75Å; I219-V275 HydrophobicContact CG1-CG1 4.45Å; I256-V275 HydrophobicContact CB-CG1 4.46Å; I256-V275 HydrophobicContact CD1-CG1 4.47Å; I256-V275 HydrophobicContact CG1-CG1 4.05Å; I256-V275 HydrophobicContact CG2-CG1 3.58Å; L259-V275 HydrophobicContact CD2-CB 4.04Å; L259-V275 HydrophobicContact CD2-CG1 3.69Å; L259-V275 HydrophobicContact CD2-CG2 3.49Å; L259-V275 VanDerWaalsContact CD2-CG2 3.49Å; L273-V275 HydrophobicContact CD2-CG2 3.95Å; L273-V275 HydrophobicContact CG-CG2 3.84Å; V275-Y277 HydrophobicContact CB-CD2 4.46Å; V275-Y277 HydrophobicContact CB-CE2 3.71Å; V275-Y277 HydrophobicContact CG1-CD2 4.01Å; V275-Y277 HydrophobicContact CG1-CE1 4.27Å; V275-Y277 HydrophobicContact CG1-CE2 3.38Å; V275-Y277 WeakPolarHBondContact O-CD2 3.45Å; V275-Y277 WeakPolarHBondContact O-CE2 3.36Å; V275-I282 CarbonylContact O-C 3.56Å; V275-I282 VanDerWaalsContact O-CA 3.27Å; V275-I282 WeakPolarHBondContact O-CA 3.47Å; V275-V283 PolarHBondContact N-O 2.86Å; V275-V283 PolarHBondContact O-N 2.96Å
276	A	96.1	Very high	93.3	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	130.7	176.2	0	0	0	0	0	111.3	R257 S258 V303 V306	R257-A276 PolarHBondContact N-O 2.85Å; S258-A276 PolarHBondContact O-N 2.91Å; A276-V303 HydrophobicContact CB-CB 4Å; A276-V303 HydrophobicContact CB-CG1 3.67Å; A276-V306 HydrophobicContact CB-CB 4.11Å; A276-V306 HydrophobicContact CB-CG1 3.98Å
277	Y	94.2	Very high	93.2	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	157	-178	-67.5	-96.5	0	0	0	112.3	I219 K241 L244 W255 I256 V275 D279 C280 S281 V283 W285	I219-Y277 WeakPolarHBondContact CD1-OH 3.44Å; K241-Y277 HydrophobicContact CD-CE1 4.41Å; K241-Y277 HydrophobicContact CD-CE2 4.4Å; K241-Y277 VanDerWaalsContact CE-CE1 3.47Å; K241-Y277 VanDerWaalsContact CE-CG 3.4Å; K241-Y277 HydrophobicContact CG-CE1 4.33Å; L244-Y277 HydrophobicContact CD1-CD1 4.08Å; L244-Y277 HydrophobicContact CD1-CE1 4.13Å; W255-Y277 CarbonylContact O-C 3.17Å; W255-Y277 WeakPolarHBondContact O-CA 3.12Å; I256-Y277 HydrophobicContact CD1-CE1 4.22Å; I256-Y277 HydrophobicContact CG1-CD1 3.88Å; I256-Y277 HydrophobicContact CG1-CE1 3.6Å; V275-Y277 HydrophobicContact CB-CD2 4.46Å; V275-Y277 HydrophobicContact CB-CE2 3.71Å; V275-Y277 HydrophobicContact CG1-CD2 4.01Å; V275-Y277 HydrophobicContact CG1-CE1 4.27Å; V275-Y277 HydrophobicContact CG1-CE2 3.38Å; V275-Y277 WeakPolarHBondContact O-CD2 3.45Å; V275-Y277 WeakPolarHBondContact O-CE2 3.36Å; Y277-D279 WeakPolarHBondContact CB-OD1 3.32Å; Y277-D279 PolarHBondContact O-N 2.73Å; Y277-C280 PolarHBondContact O-N 2.64Å; Y277-S281 PolarHBondContact N-O 3.5Å; Y277-V283 HydrophobicContact CD2-CG2 4.29Å; Y277-V283 HydrophobicContact CE2-CB 3.94Å; Y277-V283 HydrophobicContact CE2-CG2 3.89Å; Y277-W285 PolarHBondContact OH-NE1 3.44Å
278	Q	93	Very high	93	Very high	40 Å²	40	30.4 Å²	30.4	19%	0.187	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-22.1	175.2	-171	73	21.6	0	0	112.8	K252 W255 C280 P302	K252-Q278 WeakPolarHBondContact O-CG 3.05Å; W255-Q278 HydrophobicContact CB-CB 3.9Å; W255-Q278 HydrophobicContact CB-CG 4.46Å; W255-Q278 HydrophobicContact CG-CB 4.46Å; W255-Q278 WeakPolarHBondContact O-CB 3.3Å; W255-Q278 PolarHBondContact O-N 3.03Å; Q278-C280 PolarHBondContact O-N 2.8Å; Q278-C280 VanDerWaalsContact O-N 3.13Å; Q278-P302 HydrophobicContact CG-CB 4.38Å; Q278-P302 HydrophobicContact CG-CG 4.29Å; Q278-P302 VanDerWaalsContact NE2-CG 3.28Å; Q278-P302 WeakPolarHBondContact O-CB 3.35Å; Q278-P302 WeakPolarHBondContact O-CG 3.36Å
279	D	90.6	Very high	93.2	Very high	59 Å²	59	32.2 Å²	32.2	32%	0.316	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	15.2	175.9	67.6	8.7	0	0	0	114.2	K241 Y277 S281	K241-D279 IonicContact NZ-OD1 3.49Å; K241-D279 PolarHBondContact NZ-OD1 3.03Å; K241-D279 IonicContact NZ-OD2 3.5Å; K241-D279 PolarHBondContact NZ-OD2 3.04Å; Y277-D279 WeakPolarHBondContact CB-OD1 3.32Å; Y277-D279 PolarHBondContact O-N 2.73Å; D279-S281 PolarHBondContact O-N 2.69Å; D279-S281 WeakPolarHBondContact OD1-CB 3.38Å; D279-S281 PolarHBondContact OD1-N 3.46Å; D279-S281 PolarHBondContact OD1-OG 3.49Å; D279-S281 PolarHBondContact OD2-OG 3.37Å
280	C	93.5	Very high	93.3	Very high	29 Å²	29	27.7 Å²	27.7	20%	0.196	14%	0.135	C	C	.	.	S	Bend	trans	71.4	5	179.8	-37.2	0	0	0	0	115.2	Y277 Q278 H299 K301	Y277-C280 PolarHBondContact O-N 2.64Å; Q278-C280 PolarHBondContact O-N 2.8Å; Q278-C280 VanDerWaalsContact O-N 3.13Å; C280-H299 HydrophobicContact CB-CB 4.35Å; C280-H299 VanDerWaalsContact CB-O 3.31Å; C280-H299 WeakPolarHBondContact CB-O 3.29Å; C280-K301 WeakPolarHBondContact CB-O 3.41Å; C280-K301 WeakPolarHBondContact SG-CA 3.5Å; C280-K301 PolarHBondContact SG-O 3.43Å
281	S	93.9	Very high	93.2	Very high	7 Å²	7	33.4 Å²	33.4	5%	0.049	16%	0.162	C	C	.	.			trans	-103.7	154.2	178.7	69.8	0	0	0	0	113.1	K241 Y277 D279 I296	K241-S281 PolarHBondContact NZ-OG 2.9Å; Y277-S281 PolarHBondContact N-O 3.5Å; D279-S281 PolarHBondContact O-N 2.69Å; D279-S281 WeakPolarHBondContact OD1-CB 3.38Å; D279-S281 PolarHBondContact OD1-N 3.46Å; D279-S281 PolarHBondContact OD1-OG 3.49Å; D279-S281 PolarHBondContact OD2-OG 3.37Å; S281-I296 WeakPolarHBondContact CA-O 3.45Å
282	I	95.7	Very high	93.2	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126	173.1	-56.5	161.9	0	0	0	106.9	V275 I296 V303 V306	V275-I282 CarbonylContact O-C 3.56Å; V275-I282 VanDerWaalsContact O-CA 3.27Å; V275-I282 WeakPolarHBondContact O-CA 3.47Å; I282-I296 HydrophobicContact CB-CB 4.18Å; I282-I296 PolarHBondContact N-O 3.44Å; I282-I296 WeakPolarHBondContact O-CB 3.36Å; I282-I296 PolarHBondContact O-N 3.08Å; I282-V303 HydrophobicContact CD1-CG1 4.16Å; I282-V303 HydrophobicContact CD1-CG2 4.35Å; I282-V303 HydrophobicContact CG1-CB 4.44Å; I282-V303 HydrophobicContact CG1-CG1 4.13Å; I282-V303 HydrophobicContact CG1-CG2 4.11Å; I282-V306 HydrophobicContact CG2-CG2 4.27Å
283	V	95.1	Very high	93.1	Very high	1 Å²	1	32 Å²	32	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	129.2	178.8	-177.9	0	0	0	0	109.4	K241 V275 Y277 W285 P292 H294 T295	K241-V283 HydrophobicContact CD-CG2 4.03Å; K241-V283 VanDerWaalsContact CE-CG2 3.41Å; K241-V283 HydrophobicContact CG-CG2 4.49Å; V275-V283 PolarHBondContact N-O 2.86Å; V275-V283 PolarHBondContact O-N 2.96Å; Y277-V283 HydrophobicContact CD2-CG2 4.29Å; Y277-V283 HydrophobicContact CE2-CB 3.94Å; Y277-V283 HydrophobicContact CE2-CG2 3.89Å; V283-W285 HydrophobicContact CG1-CD2 4.17Å; V283-W285 HydrophobicContact CG1-CG 4.22Å; V283-W285 HydrophobicContact CG1-CZ2 4.21Å; V283-P292 HydrophobicContact CG1-CB 3.55Å; V283-H294 WeakPolarHBondContact CA-O 3.43Å; V283-T295 HydrophobicContact CG2-CG2 4Å
284	I	95.9	Very high	92.8	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	113.9	168.3	-57.1	177.1	0	0	0	106.8	Q272 L273 I293 H294 I296 W308 I314 S328	Q272-I284 HydrophobicContact CB-CG2 4.32Å; L273-I284 WeakPolarHBondContact O-CA 3.31Å; I284-I293 HydrophobicContact CG2-CD1 4.27Å; I284-I293 PolarHBondContact O-N 2.95Å; I284-H294 HydrophobicContact CB-CB 4.5Å; I284-H294 HydrophobicContact CD1-CB 4.41Å; I284-H294 PolarHBondContact N-O 2.9Å; I284-H294 PolarHBondContact O-N 3.48Å; I284-I296 HydrophobicContact CD1-CD1 4.23Å; I284-I296 HydrophobicContact CG1-CD1 4.5Å; I284-W308 HydrophobicContact CD1-CH2 4.23Å; I284-W308 HydrophobicContact CG1-CH2 4.46Å; I284-W308 HydrophobicContact CG2-CH2 3.77Å; I284-W308 HydrophobicContact CG2-CZ3 4.13Å; I284-I314 HydrophobicContact CD1-CD1 3.55Å; I284-I314 HydrophobicContact CG1-CD1 4.01Å; I284-S328 WeakPolarHBondContact CD1-O 3.49Å
285	W	94.7	Very high	92.6	Very high	3 Å²	3	38.9 Å²	38.9	1%	0.011	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	142.2	177.9	-69.9	87.6	0	0	0	110.8	I219 L239 I240 K241 Q272 L273 Y277 V283 G290 P292	I219-W285 HydrophobicContact CD1-CD2 4.39Å; I219-W285 HydrophobicContact CD1-CG 4.32Å; L239-W285 HydrophobicContact CB-CD2 4.5Å; L239-W285 HydrophobicContact CB-CE3 4.18Å; L239-W285 HydrophobicContact CB-CZ3 4.19Å; L239-W285 HydrophobicContact CD1-CB 4.44Å; L239-W285 HydrophobicContact CD1-CD2 4.42Å; L239-W285 HydrophobicContact CD1-CE3 4.24Å; I240-W285 WeakPolarHBondContact O-CH2 3.44Å; K241-W285 HydrophobicContact CG-CH2 4.49Å; K241-W285 HydrophobicContact CG-CZ2 3.84Å; Q272-W285 WeakPolarHBondContact CA-O 3.22Å; L273-W285 PolarHBondContact N-O 3.43Å; L273-W285 PolarHBondContact O-N 2.96Å; Y277-W285 PolarHBondContact OH-NE1 3.44Å; V283-W285 HydrophobicContact CG1-CD2 4.17Å; V283-W285 HydrophobicContact CG1-CG 4.22Å; V283-W285 HydrophobicContact CG1-CZ2 4.21Å; W285-G290 VanDerWaalsContact CZ3-O 3.29Å; W285-G290 WeakPolarHBondContact CZ3-O 3.2Å; W285-P292 HydrophobicContact CD2-CB 4.49Å; W285-P292 HydrophobicContact CE3-CB 4.27Å; W285-P292 HydrophobicContact CH2-CB 4.34Å; W285-P292 HydrophobicContact CH2-CG 4.47Å; W285-P292 HydrophobicContact CZ3-CB 4.19Å; W285-P292 HydrophobicContact CZ3-CG 4.3Å
286	D	93.3	Very high	92.5	Very high	8 Å²	8	39.2 Å²	39.2	4%	0.043	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	110	158	178.5	-5.6	0	0	0	108.6	R271 Y288 T289 G290 Q291 I293	R271-D286 WeakPolarHBondContact CD-OD1 3.21Å; R271-D286 WeakPolarHBondContact CG-OD1 3.42Å; R271-D286 IonicContact CZ-OD1 3.92Å; R271-D286 IonicContact CZ-OD2 2.63Å; R271-D286 IonicContact NE-OD1 2.84Å; R271-D286 PolarHBondContact NE-OD1 3.08Å; R271-D286 IonicContact NE-OD2 3.77Å; R271-D286 PolarHBondContact NE-OD2 3.21Å; R271-D286 IonicContact NH2-OD1 2.79Å; R271-D286 IonicContact NH2-OD2 2.95Å; R271-D286 PolarHBondContact NH2-OD2 3.09Å; D286-Y288 PolarHBondContact O-N 3.33Å; D286-Y288 PolarHBondContact OD1-N 3.4Å; D286-T289 WeakPolarHBondContact CB-OG1 3.47Å; D286-T289 PolarHBondContact OD1-N 3.36Å; D286-T289 WeakPolarHBondContact OD2-CB 3.31Å; D286-T289 WeakPolarHBondContact OD2-CG2 3.28Å; D286-T289 PolarHBondContact OD2-OG1 3.29Å; D286-G290 VanDerWaalsContact O-CA 3.23Å; D286-G290 WeakPolarHBondContact O-CA 3.43Å; D286-G290 PolarHBondContact O-N 3.24Å; D286-Q291 PolarHBondContact N-O 3.44Å; D286-I293 HydrophobicContact CB-CD1 3.93Å; D286-I293 HydrophobicContact CB-CG1 3.84Å
287	T	91.1	Very high	92.4	Very high	11 Å²	11	44.1 Å²	44.1	7%	0.067	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-16.8	-176.3	58.9	0	0	0	0	113.9	R209 L221 W261 R271 L273	R209-T287 PolarHBondContact NH1-OG1 3.3Å; L221-T287 HydrophobicContact CD1-CG2 3.99Å; L221-T287 VanDerWaalsContact CD1-O 3.32Å; L221-T287 WeakPolarHBondContact CD1-O 3.49Å; L221-T287 HydrophobicContact CD2-CG2 4.11Å; W261-T287 HydrophobicContact CH2-CG2 3.73Å; W261-T287 HydrophobicContact CZ3-CG2 3.56Å; R271-T287 WeakPolarHBondContact O-CB 3.43Å; R271-T287 WeakPolarHBondContact O-CG2 3.34Å; R271-T287 PolarHBondContact O-N 3.3Å; R271-T287 PolarHBondContact O-OG1 2.93Å; L273-T287 HydrophobicContact CB-CG2 3.66Å; L273-T287 HydrophobicContact CD2-CG2 4.3Å
288	Y	87	Confident	92.3	Very high	192 Å²	192	45.7 Å²	45.7	75%	0.753	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	-48.6	178.4	-173.2	-99.4	0	0	0	111.6	D286	D286-Y288 PolarHBondContact O-N 3.33Å; D286-Y288 PolarHBondContact OD1-N 3.4Å
289	T	88.5	Confident	92.4	Very high	68 Å²	68	44.3 Å²	44.3	42%	0.417	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-18.2	178.6	63.9	0	0	0	0	112.9	D286 Q291	D286-T289 WeakPolarHBondContact CB-OG1 3.47Å; D286-T289 PolarHBondContact OD1-N 3.36Å; D286-T289 WeakPolarHBondContact OD2-CB 3.31Å; D286-T289 WeakPolarHBondContact OD2-CG2 3.28Å; D286-T289 PolarHBondContact OD2-OG1 3.29Å; T289-Q291 PolarHBondContact O-N 3.42Å; T289-Q291 PolarHBondContact OG1-N 3.46Å
290	G	87.9	Confident	92.6	Very high	20 Å²	20	47.6 Å²	47.6	21%	0.206	26%	0.261	C	S	.	.			trans	69.7	15.9	-174.7	0	0	0	0	0	114	W285 D286	W285-G290 VanDerWaalsContact CZ3-O 3.29Å; W285-G290 WeakPolarHBondContact CZ3-O 3.2Å; D286-G290 VanDerWaalsContact O-CA 3.23Å; D286-G290 WeakPolarHBondContact O-CA 3.43Å; D286-G290 PolarHBondContact O-N 3.24Å
291	Q	89	Confident	92.6	Very high	120 Å²	120	50.3 Å²	50.3	56%	0.561	27%	0.27	S	S	*	.			trans	-97.4	144.8	179.9	-63.5	-62.3	-30.7	0	0	111.5	D286 T289 I293	D286-Q291 PolarHBondContact N-O 3.44Å; T289-Q291 PolarHBondContact O-N 3.42Å; T289-Q291 PolarHBondContact OG1-N 3.46Å; Q291-I293 PolarHBondContact O-N 3.13Å
292	P	92.1	Very high	92.7	Very high	44 Å²	44	50.9 Å²	50.9	29%	0.286	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	122.5	168.9	31	-31.9	0	0	0	109.6	V283 W285	V283-P292 HydrophobicContact CG1-CB 3.55Å; W285-P292 HydrophobicContact CD2-CB 4.49Å; W285-P292 HydrophobicContact CE3-CB 4.27Å; W285-P292 HydrophobicContact CH2-CB 4.34Å; W285-P292 HydrophobicContact CH2-CG 4.47Å; W285-P292 HydrophobicContact CZ3-CB 4.19Å; W285-P292 HydrophobicContact CZ3-CG 4.3Å
293	I	92.5	Very high	92.7	Very high	69 Å²	69	50.8 Å²	50.8	35%	0.354	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-53.7	177.3	-52.1	178	0	0	0	109.7	Q272 I284 D286 Q291	Q272-I293 HydrophobicContact CG-CD1 4Å; I284-I293 HydrophobicContact CG2-CD1 4.27Å; I284-I293 PolarHBondContact O-N 2.95Å; D286-I293 HydrophobicContact CB-CD1 3.93Å; D286-I293 HydrophobicContact CB-CG1 3.84Å; Q291-I293 PolarHBondContact O-N 3.13Å
294	H	90.2	Very high	92.7	Very high	63 Å²	63	51.5 Å²	51.5	29%	0.292	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	138.9	-178.9	-62.8	-58.7	0	0	0	110.2	V283 I284 K329	V283-H294 WeakPolarHBondContact CA-O 3.43Å; I284-H294 HydrophobicContact CB-CB 4.5Å; I284-H294 HydrophobicContact CD1-CB 4.41Å; I284-H294 PolarHBondContact N-O 2.9Å; I284-H294 PolarHBondContact O-N 3.48Å; H294-K329 PolarHBondContact NE2-O 3.47Å
295	T	93.7	Very high	92.8	Very high	82 Å²	82	52 Å²	52	50%	0.503	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	105.4	168.9	-61.3	0	0	0	0	108.2	V283 T297	V283-T295 HydrophobicContact CG2-CG2 4Å; T295-T297 HydrophobicContact CG2-CG2 4.16Å
296	I	95	Very high	92.9	Very high	7 Å²	7	51.8 Å²	51.8	4%	0.036	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	122.5	178.5	-56.2	176	0	0	0	107.8	S281 I282 I284 I314 W326	S281-I296 WeakPolarHBondContact CA-O 3.45Å; I282-I296 HydrophobicContact CB-CB 4.18Å; I282-I296 PolarHBondContact N-O 3.44Å; I282-I296 WeakPolarHBondContact O-CB 3.36Å; I282-I296 PolarHBondContact O-N 3.08Å; I284-I296 HydrophobicContact CD1-CD1 4.23Å; I284-I296 HydrophobicContact CG1-CD1 4.5Å; I296-I314 HydrophobicContact CD1-CD1 4.42Å; I296-W326 HydrophobicContact CD1-CB 4.17Å; I296-W326 HydrophobicContact CD1-CG 4.39Å; I296-W326 HydrophobicContact CG2-CD2 3.45Å; I296-W326 VanDerWaalsContact CG2-CD2 3.45Å; I296-W326 HydrophobicContact CG2-CE3 3.2Å; I296-W326 HydrophobicContact CG2-CG 4.12Å; I296-W326 HydrophobicContact CG2-CH2 3.75Å; I296-W326 HydrophobicContact CG2-CZ2 3.98Å; I296-W326 HydrophobicContact CG2-CZ3 3.35Å
297	T	93.1	Very high	93.1	Very high	103 Å²	103	54.6 Å²	54.6	63%	0.632	29%	0.29	S	S	*	.			trans	-124.3	148.9	175.5	56	0	0	0	0	109.2	T295	T295-T297 HydrophobicContact CG2-CG2 4.16Å
298	G	91.4	Very high	93.4	Very high	32 Å²	32	54.3 Å²	54.3	33%	0.33	29%	0.288	S	S	.	.			trans	160.5	-26.2	173.2	0	0	0	0	0	113.9	R324	G298-R324 VanDerWaalsContact C-CZ 3.49Å; G298-R324 PolarHBondContact O-NH1 2.99Å; G298-R324 PolarHBondContact O-NH2 3.21Å
299	H	95.7	Very high	93.8	Very high	12 Å²	12	45.1 Å²	45.1	6%	0.056	25%	0.252	C	S	.	.			trans	-65.5	142.7	171.7	-80.9	-70	0	0	0	110.9	C280 V303 S316 S318 D320 T322 R324 W326	C280-H299 HydrophobicContact CB-CB 4.35Å; C280-H299 VanDerWaalsContact CB-O 3.31Å; C280-H299 WeakPolarHBondContact CB-O 3.29Å; H299-V303 HydrophobicContact CB-CG2 4.05Å; H299-V303 VanDerWaalsContact CD2-CG2 3.47Å; H299-V303 WeakPolarHBondContact CD2-CG2 3.28Å; H299-S316 PolarHBondContact NE2-OG 3Å; H299-S318 VanDerWaalsContact CE1-CB 3.44Å; H299-S318 WeakPolarHBondContact CE1-CB 3.41Å; H299-S318 WeakPolarHBondContact ND1-CB 3.46Å; H299-D320 WeakPolarHBondContact CA-OD2 3.44Å; H299-D320 WeakPolarHBondContact CB-OD2 3.24Å; H299-D320 IonicContact CE1-OD1 2.85Å; H299-D320 IonicContact CE1-OD2 3.96Å; H299-D320 IonicContact CG-OD2 3.89Å; H299-D320 IonicContact ND1-OD1 3.35Å; H299-D320 PolarHBondContact ND1-OD1 3.36Å; H299-D320 IonicContact ND1-OD2 3.99Å; H299-D320 PolarHBondContact ND1-OD2 3.07Å; H299-T322 PolarHBondContact CE1-OG1 3.38Å; H299-T322 VanDerWaalsContact CE1-OG1 3.28Å; H299-T322 PolarHBondContact ND1-OG1 3.07Å; H299-R324 VanDerWaalsContact CE1-CD 3.45Å; H299-R324 WeakPolarHBondContact CE1-CD 3.42Å; H299-R324 VanDerWaalsContact CE1-CG 3.49Å; H299-R324 WeakPolarHBondContact CE1-CG 3.44Å; H299-R324 PolarHBondContact ND1-NE 3.36Å; H299-W326 AromaticContact CD2-CZ2 3.86Å
300	D	94.4	Very high	94	Very high	127 Å²	127	42.1 Å²	42.1	68%	0.679	23%	0.234	S	C	*	.	S	Bend	trans	-89.4	-11.8	-178.2	-58.5	-55	0	0	0	112.5	D320 R324	D300-D320 HydrophobicContact CB-CB 4.22Å; D300-D320 PolarHBondContact N-OD2 3.34Å; D300-D320 VanDerWaalsContact N-OD2 3.15Å; D300-R324 IonicContact OD2-NH2 3.36Å
301	K	95.2	Very high	94.3	Very high	87 Å²	87	44.1 Å²	44.1	38%	0.378	24%	0.243	S	C	.	.	S	Bend	trans	-141.3	167.1	-179.3	-67.7	-168.6	177.3	-178.7	0	110.8	C280 V303 S318 Q319 D320	C280-K301 WeakPolarHBondContact CB-O 3.41Å; C280-K301 WeakPolarHBondContact SG-CA 3.5Å; C280-K301 PolarHBondContact SG-O 3.43Å; K301-V303 PolarHBondContact O-N 2.98Å; K301-S318 PolarHBondContact O-OG 2.73Å; K301-Q319 HydrophobicContact CB-CB 3.96Å; K301-Q319 HydrophobicContact CD-CB 4.3Å; K301-Q319 WeakPolarHBondContact CD-O 3.37Å; K301-D320 HydrophobicContact CB-CB 3.86Å; K301-D320 HydrophobicContact CG-CB 4.12Å
302	P	95.2	Very high	94.6	Very high	18 Å²	18	39.3 Å²	39.3	12%	0.117	22%	0.221	C	C	.	.			trans	-52.2	135.1	-174.8	-29.3	35.1	0	0	0	113.7	Q278 S318 Q319	Q278-P302 HydrophobicContact CG-CB 4.38Å; Q278-P302 HydrophobicContact CG-CG 4.29Å; Q278-P302 VanDerWaalsContact NE2-CG 3.28Å; Q278-P302 WeakPolarHBondContact O-CB 3.35Å; Q278-P302 WeakPolarHBondContact O-CG 3.36Å; P302-S318 WeakPolarHBondContact O-CA 3.28Å; P302-S318 PolarHBondContact O-OG 3.01Å; P302-Q319 PolarHBondContact O-N 3.41Å
303	V	96	Very high	94.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	119.4	175	-176.6	0	0	0	0	108.5	R257 A276 I282 H299 K301 A317	R257-V303 WeakPolarHBondContact CB-O 3.33Å; R257-V303 WeakPolarHBondContact CG-O 3.26Å; A276-V303 HydrophobicContact CB-CB 4Å; A276-V303 HydrophobicContact CB-CG1 3.67Å; I282-V303 HydrophobicContact CD1-CG1 4.16Å; I282-V303 HydrophobicContact CD1-CG2 4.35Å; I282-V303 HydrophobicContact CG1-CB 4.44Å; I282-V303 HydrophobicContact CG1-CG1 4.13Å; I282-V303 HydrophobicContact CG1-CG2 4.11Å; H299-V303 HydrophobicContact CB-CG2 4.05Å; H299-V303 VanDerWaalsContact CD2-CG2 3.47Å; H299-V303 WeakPolarHBondContact CD2-CG2 3.28Å; K301-V303 PolarHBondContact O-N 2.98Å; V303-A317 CarbonylContact C-O 3.52Å; V303-A317 WeakPolarHBondContact CG1-O 3.47Å
304	V	95.6	Very high	95	Very high	15 Å²	15	35.5 Å²	35.5	9%	0.091	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	-40.9	-174.1	-174.5	0	0	0	0	111.5	A317 Q319 N345	V304-A317 PolarHBondContact N-O 2.93Å; V304-Q319 HydrophobicContact CG2-CG 3.56Å; V304-N345 WeakPolarHBondContact CG1-O 3.4Å
305	A	96.3	Very high	95.3	Very high	10 Å²	10	32.5 Å²	32.5	8%	0.083	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	143.4	-177.8	0	0	0	0	0	111.2	S316 A317 L347	A305-S316 WeakPolarHBondContact O-CA 3.47Å; A305-A317 HydrophobicContact CB-CB 4.33Å; A305-A317 PolarHBondContact N-O 2.97Å; A305-A317 PolarHBondContact O-N 2.86Å; A305-L347 HydrophobicContact CB-CB 4.05Å
306	V	97.3	Very high	95.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	139.5	171.2	66.8	0	0	0	0	109.8	S258 A274 A276 I282 I314 Y315	S258-V306 PolarHBondContact OG-N 2.95Å; S258-V306 VanDerWaalsContact OG-N 3.1Å; S258-V306 PolarHBondContact OG-O 2.89Å; A274-V306 HydrophobicContact CB-CG2 4.28Å; A276-V306 HydrophobicContact CB-CB 4.11Å; A276-V306 HydrophobicContact CB-CG1 3.98Å; I282-V306 HydrophobicContact CG2-CG2 4.27Å; V306-I314 HydrophobicContact CG2-CG2 3.54Å; V306-Y315 CarbonylContact C-O 3.41Å; V306-Y315 VanDerWaalsContact CA-O 3.32Å; V306-Y315 WeakPolarHBondContact CA-O 3.37Å
307	R	97.2	Very high	95.6	Very high	67 Å²	67	28.2 Å²	28.2	25%	0.253	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	140.6	172.6	-65.3	-65.3	-177.9	168.3	-12.3	109.9	I314 Y315 L347 L349 D352	R307-I314 WeakPolarHBondContact O-CA 3.5Å; R307-Y315 HydrophobicContact CB-CD2 4.47Å; R307-Y315 PolarHBondContact N-O 2.87Å; R307-Y315 PolarHBondContact O-N 2.73Å; R307-L347 HydrophobicContact CB-CD2 3.65Å; R307-L347 HydrophobicContact CG-CD2 3.22Å; R307-L347 PolarHBondContact NE-O 2.94Å; R307-L349 HydrophobicContact CB-CD1 3.94Å; R307-L349 HydrophobicContact CB-CG 4.24Å; R307-D352 IonicContact CZ-OD2 3.51Å; R307-D352 IonicContact NE-OD2 2.79Å; R307-D352 PolarHBondContact NE-OD2 2.78Å; R307-D352 IonicContact NH1-OD1 3.38Å; R307-D352 IonicContact NH1-OD2 3.07Å; R307-D352 PolarHBondContact NH1-OD2 2.93Å
308	W	97.4	Very high	95.8	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.015	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	111.1	173.9	-153.2	-36.6	0	0	0	108.9	S260 W261 R262 Q272 A274 I284 D312 I314 S328	S260-W308 WeakPolarHBondContact OG-CB 3.45Å; S260-W308 PolarHBondContact OG-N 2.81Å; W261-W308 WeakPolarHBondContact O-CB 3.49Å; R262-W308 HydrophobicContact CB-CD2 3.93Å; R262-W308 HydrophobicContact CB-CE3 3.85Å; R262-W308 HydrophobicContact CB-CH2 3.87Å; R262-W308 HydrophobicContact CB-CZ2 3.91Å; R262-W308 HydrophobicContact CB-CZ3 3.83Å; R262-W308 HydrophobicContact CG-CD2 4.08Å; R262-W308 HydrophobicContact CG-CE3 4.45Å; R262-W308 HydrophobicContact CG-CH2 4.09Å; R262-W308 HydrophobicContact CG-CZ2 3.63Å; R262-W308 HydrophobicContact CG-CZ3 4.47Å; Q272-W308 HydrophobicContact CB-CH2 3.77Å; Q272-W308 HydrophobicContact CB-CZ3 4.04Å; Q272-W308 VanDerWaalsContact OE1-CH2 3.3Å; A274-W308 HydrophobicContact CB-CE3 3.64Å; A274-W308 HydrophobicContact CB-CZ3 3.81Å; I284-W308 HydrophobicContact CD1-CH2 4.23Å; I284-W308 HydrophobicContact CG1-CH2 4.46Å; I284-W308 HydrophobicContact CG2-CH2 3.77Å; I284-W308 HydrophobicContact CG2-CZ3 4.13Å; W308-D312 PolarHBondContact NE1-OD1 2.83Å; W308-I314 HydrophobicContact CD2-CD1 4.13Å; W308-I314 HydrophobicContact CD2-CG1 3.88Å; W308-I314 HydrophobicContact CE3-CD1 4.31Å; W308-I314 HydrophobicContact CE3-CG1 4.46Å; W308-I314 HydrophobicContact CG-CG1 3.98Å; W308-I314 HydrophobicContact CH2-CD1 4.3Å; W308-I314 HydrophobicContact CZ2-CD1 4.15Å; W308-I314 HydrophobicContact CZ2-CG1 4.48Å; W308-I314 HydrophobicContact CZ3-CD1 4.39Å; W308-S328 VanDerWaalsContact CZ2-CB 3.48Å
309	G	95.8	Very high	96	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.119	C	C	.	.			trans	-74.7	161.1	-179.7	0	0	0	0	0	113.1	T311 D312 L313	G309-T311 PolarHBondContact O-N 2.72Å; G309-D312 PolarHBondContact O-N 2.78Å; G309-D312 VanDerWaalsContact O-N 3.12Å; G309-L313 PolarHBondContact N-O 2.97Å
310	G	93.8	Very high	96	Very high	5 Å²	5	23.5 Å²	23.5	5%	0.052	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-8.6	178.1	0	0	0	0	0	114.2	H265 D312 Y392 E401	H265-G310 PolarHBondContact NE2-O 3.37Å; G310-D312 VanDerWaalsContact C-N 3.31Å; G310-Y392 VanDerWaalsContact C-OH 3.24Å; G310-Y392 WeakPolarHBondContact CA-OH 3.47Å; G310-E401 PolarHBondContact N-OE1 3.19Å; G310-E401 PolarHBondContact N-OE2 2.88Å
311	T	93.6	Very high	96.1	Very high	62 Å²	62	23.1 Å²	23.1	38%	0.38	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	11.3	169.4	53.2	0	0	0	0	113.9	G309 L313 Y392 E401	G309-T311 PolarHBondContact O-N 2.72Å; T311-L313 PolarHBondContact O-N 3.46Å; T311-Y392 PolarHBondContact N-OH 3.15Å; T311-E401 HydrophobicContact CG2-CG 4.43Å; T311-E401 WeakPolarHBondContact CG2-OE2 3.47Å; T311-E401 PolarHBondContact N-OE2 3.36Å; T311-E401 PolarHBondContact OG1-OE2 2.92Å
312	D	95	Very high	96.2	Very high	19 Å²	19	19.7 Å²	19.7	10%	0.102	10%	0.097	C	C	.	.	S	Bend	trans	65.5	23	-179	-149.9	13.5	0	0	0	114.5	R262 L266 W308 G309 G310 S328	R262-D312 IonicContact CZ-OD1 3.35Å; R262-D312 IonicContact CZ-OD2 3.81Å; R262-D312 IonicContact NE-OD1 2.63Å; R262-D312 PolarHBondContact NE-OD1 2.81Å; R262-D312 IonicContact NE-OD2 2.7Å; R262-D312 IonicContact NH2-OD1 3.47Å; R262-D312 IonicContact NH2-OD2 2.88Å; R262-D312 PolarHBondContact NH2-OD2 3.35Å; L266-D312 HydrophobicContact CD1-CB 3.63Å; W308-D312 PolarHBondContact NE1-OD1 2.83Å; G309-D312 PolarHBondContact O-N 2.78Å; G309-D312 VanDerWaalsContact O-N 3.12Å; G310-D312 VanDerWaalsContact C-N 3.31Å; D312-S328 VanDerWaalsContact O-CB 3.32Å; D312-S328 WeakPolarHBondContact O-CB 3.23Å; D312-S328 PolarHBondContact O-N 2.79Å; D312-S328 PolarHBondContact O-OG 2.6Å; D312-S328 WeakPolarHBondContact OD1-CB 3.34Å; D312-S328 PolarHBondContact OD1-OG 3.07Å; D312-S328 PolarHBondContact OD2-OG 3.18Å; D312-S328 VanDerWaalsContact OD2-OG 3.12Å
313	L	96.1	Very high	96.2	Very high	32 Å²	32	18.9 Å²	18.9	17%	0.168	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	142.2	169.9	-64.9	176.4	0	0	0	110.4	G309 T311 Y315 V325	G309-L313 PolarHBondContact N-O 2.97Å; T311-L313 PolarHBondContact O-N 3.46Å; L313-Y315 HydrophobicContact CB-CE1 4.03Å; L313-Y315 HydrophobicContact CB-CE2 4.29Å; L313-Y315 HydrophobicContact CD1-CE1 4.44Å; L313-V325 HydrophobicContact CB-CG1 4.24Å; L313-V325 HydrophobicContact CD1-CG1 4.12Å; L313-V325 HydrophobicContact CD2-CG1 4.37Å; L313-V325 HydrophobicContact CG-CG1 4.49Å
314	I	97.4	Very high	96.2	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	131	173.3	-62.5	172.9	0	0	0	108.4	A274 I284 I296 V306 R307 W308 V325 W326	A274-I314 HydrophobicContact CB-CD1 4.32Å; I284-I314 HydrophobicContact CD1-CD1 3.55Å; I284-I314 HydrophobicContact CG1-CD1 4.01Å; I296-I314 HydrophobicContact CD1-CD1 4.42Å; V306-I314 HydrophobicContact CG2-CG2 3.54Å; R307-I314 WeakPolarHBondContact O-CA 3.5Å; W308-I314 HydrophobicContact CD2-CD1 4.13Å; W308-I314 HydrophobicContact CD2-CG1 3.88Å; W308-I314 HydrophobicContact CE3-CD1 4.31Å; W308-I314 HydrophobicContact CE3-CG1 4.46Å; W308-I314 HydrophobicContact CG-CG1 3.98Å; W308-I314 HydrophobicContact CH2-CD1 4.3Å; W308-I314 HydrophobicContact CZ2-CD1 4.15Å; W308-I314 HydrophobicContact CZ2-CG1 4.48Å; W308-I314 HydrophobicContact CZ3-CD1 4.39Å; I314-V325 CarbonylContact O-C 3.53Å; I314-V325 WeakPolarHBondContact O-CA 3.45Å; I314-W326 HydrophobicContact CB-CB 4.29Å; I314-W326 PolarHBondContact N-O 3.49Å; I314-W326 PolarHBondContact O-N 2.87Å
315	Y	97.2	Very high	96.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	131.4	178	-49.1	-75.5	0	0	0	109.1	V306 R307 L313 R324 V325 L349 L403 P417	V306-Y315 CarbonylContact C-O 3.41Å; V306-Y315 VanDerWaalsContact CA-O 3.32Å; V306-Y315 WeakPolarHBondContact CA-O 3.37Å; R307-Y315 HydrophobicContact CB-CD2 4.47Å; R307-Y315 PolarHBondContact N-O 2.87Å; R307-Y315 PolarHBondContact O-N 2.73Å; L313-Y315 HydrophobicContact CB-CE1 4.03Å; L313-Y315 HydrophobicContact CB-CE2 4.29Å; L313-Y315 HydrophobicContact CD1-CE1 4.44Å; Y315-R324 WeakPolarHBondContact CA-O 3.44Å; Y315-V325 HydrophobicContact CD1-CB 4.36Å; Y315-V325 HydrophobicContact CD1-CG1 3.91Å; Y315-V325 HydrophobicContact CD1-CG2 3.96Å; Y315-V325 HydrophobicContact CE1-CG1 3.71Å; Y315-V325 HydrophobicContact CE1-CG2 4.26Å; Y315-L349 HydrophobicContact CD2-CD1 3.79Å; Y315-L349 HydrophobicContact CD2-CD2 3.62Å; Y315-L349 HydrophobicContact CD2-CG 4.17Å; Y315-L349 HydrophobicContact CE2-CD1 3.74Å; Y315-L349 HydrophobicContact CE2-CD2 3.53Å; Y315-L349 HydrophobicContact CE2-CG 4.26Å; Y315-L349 HydrophobicContact CG-CD2 4.32Å; Y315-L403 HydrophobicContact CD1-CD2 4.32Å; Y315-L403 HydrophobicContact CG-CD1 4.29Å; Y315-P417 HydrophobicContact CD1-CB 4.11Å; Y315-P417 HydrophobicContact CD1-CG 3.93Å; Y315-P417 HydrophobicContact CE1-CB 3.59Å; Y315-P417 HydrophobicContact CE1-CG 3.29Å
316	S	97.5	Very high	96.3	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	139.6	178.3	61.7	0	0	0	0	112.1	H299 A305 I323 R324 W326	H299-S316 PolarHBondContact NE2-OG 3Å; A305-S316 WeakPolarHBondContact O-CA 3.47Å; S316-I323 CarbonylContact O-C 3.56Å; S316-I323 WeakPolarHBondContact O-CA 3.49Å; S316-I323 WeakPolarHBondContact O-CG2 3.3Å; S316-R324 PolarHBondContact N-O 2.8Å; S316-R324 PolarHBondContact O-N 2.99Å; S316-W326 PolarHBondContact OG-NE1 3.42Å
317	A	96.8	Very high	96.2	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	137.2	173	0	0	0	0	0	109.7	V303 V304 A305 V344 L347	V303-A317 CarbonylContact C-O 3.52Å; V303-A317 WeakPolarHBondContact CG1-O 3.47Å; V304-A317 PolarHBondContact N-O 2.93Å; A305-A317 HydrophobicContact CB-CB 4.33Å; A305-A317 PolarHBondContact N-O 2.97Å; A305-A317 PolarHBondContact O-N 2.86Å; A317-V344 HydrophobicContact CB-CB 3.94Å; A317-V344 HydrophobicContact CB-CG1 3.56Å; A317-L347 HydrophobicContact CB-CB 4.11Å; A317-L347 HydrophobicContact CB-CD1 3.82Å
318	S	97.2	Very high	96	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	160.5	-176.9	170.3	0	0	0	0	112.8	H299 K301 P302 D320 R321 T322 V344	H299-S318 VanDerWaalsContact CE1-CB 3.44Å; H299-S318 WeakPolarHBondContact CE1-CB 3.41Å; H299-S318 WeakPolarHBondContact ND1-CB 3.46Å; K301-S318 PolarHBondContact O-OG 2.73Å; P302-S318 WeakPolarHBondContact O-CA 3.28Å; P302-S318 PolarHBondContact O-OG 3.01Å; S318-D320 WeakPolarHBondContact CB-OD1 3.38Å; S318-D320 PolarHBondContact O-N 3.23Å; S318-D320 VanDerWaalsContact OG-CG 3.3Å; S318-D320 PolarHBondContact OG-N 3.42Å; S318-D320 VanDerWaalsContact OG-N 3.07Å; S318-D320 PolarHBondContact OG-OD1 3.3Å; S318-R321 PolarHBondContact O-N 3.13Å; S318-T322 PolarHBondContact N-O 2.95Å; S318-V344 PolarHBondContact O-N 2.94Å
319	Q	96.2	Very high	95.8	Very high	26 Å²	26	28.9 Å²	28.9	12%	0.121	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-8.7	168.8	-60.6	-175.3	-17.7	0	0	112.9	K301 P302 V304 R321 W343	K301-Q319 HydrophobicContact CB-CB 3.96Å; K301-Q319 HydrophobicContact CD-CB 4.3Å; K301-Q319 WeakPolarHBondContact CD-O 3.37Å; P302-Q319 PolarHBondContact O-N 3.41Å; V304-Q319 HydrophobicContact CG2-CG 3.56Å; Q319-R321 PolarHBondContact O-N 3.47Å; Q319-W343 HydrophobicContact CB-CB 4.3Å; Q319-W343 HydrophobicContact CB-CD2 4.1Å; Q319-W343 HydrophobicContact CB-CG 3.85Å; Q319-W343 HydrophobicContact CG-CB 4.29Å; Q319-W343 HydrophobicContact CG-CD2 4.03Å; Q319-W343 HydrophobicContact CG-CE3 4.29Å; Q319-W343 HydrophobicContact CG-CG 4.06Å
320	D	95.8	Very high	95.6	Very high	21 Å²	21	32.1 Å²	32.1	11%	0.112	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75	4.8	171.5	69.3	7.7	0	0	0	112.8	H299 D300 K301 S318 T322 R324	H299-D320 WeakPolarHBondContact CA-OD2 3.44Å; H299-D320 WeakPolarHBondContact CB-OD2 3.24Å; H299-D320 IonicContact CE1-OD1 2.85Å; H299-D320 IonicContact CE1-OD2 3.96Å; H299-D320 IonicContact CG-OD2 3.89Å; H299-D320 IonicContact ND1-OD1 3.35Å; H299-D320 PolarHBondContact ND1-OD1 3.36Å; H299-D320 IonicContact ND1-OD2 3.99Å; H299-D320 PolarHBondContact ND1-OD2 3.07Å; D300-D320 HydrophobicContact CB-CB 4.22Å; D300-D320 PolarHBondContact N-OD2 3.34Å; D300-D320 VanDerWaalsContact N-OD2 3.15Å; K301-D320 HydrophobicContact CB-CB 3.86Å; K301-D320 HydrophobicContact CG-CB 4.12Å; S318-D320 WeakPolarHBondContact CB-OD1 3.38Å; S318-D320 PolarHBondContact O-N 3.23Å; S318-D320 VanDerWaalsContact OG-CG 3.3Å; S318-D320 PolarHBondContact OG-N 3.42Å; S318-D320 VanDerWaalsContact OG-N 3.07Å; S318-D320 PolarHBondContact OG-OD1 3.3Å; D320-T322 PolarHBondContact O-N 2.87Å; D320-T322 WeakPolarHBondContact OD1-CA 3.29Å; D320-T322 VanDerWaalsContact OD1-CB 3.27Å; D320-T322 WeakPolarHBondContact OD1-CB 3.44Å; D320-T322 WeakPolarHBondContact OD1-CG2 3.48Å; D320-T322 PolarHBondContact OD1-N 3.13Å; D320-T322 PolarHBondContact OD1-OG1 3.36Å; D320-T322 PolarHBondContact OD2-OG1 3.07Å; D320-R324 IonicContact OD2-NH2 3.96Å
321	R	95.8	Very high	95.5	Very high	120 Å²	120	32.5 Å²	32.5	45%	0.453	15%	0.152	S	C	.	.	S	Bend	trans	73.6	8	178.3	-40.2	172	175.5	164.1	-3.4	113.2	S318 Q319 G341 H342	S318-R321 PolarHBondContact O-N 3.13Å; Q319-R321 PolarHBondContact O-N 3.47Å; R321-G341 WeakPolarHBondContact CD-O 3.41Å; R321-G341 PolarHBondContact NE-O 2.94Å; R321-H342 WeakPolarHBondContact CA-O 3.45Å; R321-H342 WeakPolarHBondContact CB-O 3.34Å; R321-H342 WeakPolarHBondContact CG-O 3.32Å
322	T	96.4	Very high	95.5	Very high	14 Å²	14	32.9 Å²	32.9	9%	0.086	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	149	-178	79.1	0	0	0	0	111.1	H299 S318 D320 R324 T336 N338	H299-T322 PolarHBondContact CE1-OG1 3.38Å; H299-T322 VanDerWaalsContact CE1-OG1 3.28Å; H299-T322 PolarHBondContact ND1-OG1 3.07Å; S318-T322 PolarHBondContact N-O 2.95Å; D320-T322 PolarHBondContact O-N 2.87Å; D320-T322 WeakPolarHBondContact OD1-CA 3.29Å; D320-T322 VanDerWaalsContact OD1-CB 3.27Å; D320-T322 WeakPolarHBondContact OD1-CB 3.44Å; D320-T322 WeakPolarHBondContact OD1-CG2 3.48Å; D320-T322 PolarHBondContact OD1-N 3.13Å; D320-T322 PolarHBondContact OD1-OG1 3.36Å; D320-T322 PolarHBondContact OD2-OG1 3.07Å; T322-R324 PolarHBondContact OG1-NE 3.1Å; T322-T336 HydrophobicContact CG2-CG2 4.45Å; T322-N338 VanDerWaalsContact CB-OD1 3.22Å; T322-N338 WeakPolarHBondContact CB-OD1 3.28Å; T322-N338 WeakPolarHBondContact CG2-OD1 3.33Å
323	I	96.4	Very high	95.5	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	131.2	164.3	-56.7	151.9	0	0	0	106.9	S316 L337 V344 L347 L403 A405	S316-I323 CarbonylContact O-C 3.56Å; S316-I323 WeakPolarHBondContact O-CA 3.49Å; S316-I323 WeakPolarHBondContact O-CG2 3.3Å; I323-L337 HydrophobicContact CB-CB 4.13Å; I323-L337 HydrophobicContact CB-CD1 4.35Å; I323-L337 HydrophobicContact CG2-CD1 4.16Å; I323-L337 PolarHBondContact N-O 3.2Å; I323-L337 PolarHBondContact O-N 2.96Å; I323-V344 HydrophobicContact CD1-CG1 4.42Å; I323-V344 HydrophobicContact CG1-CG1 4.1Å; I323-V344 HydrophobicContact CG1-CG2 4.31Å; I323-L347 HydrophobicContact CG2-CD1 3.77Å; I323-L403 HydrophobicContact CG2-CD2 3.86Å; I323-A405 HydrophobicContact CD1-CB 3.27Å; I323-A405 HydrophobicContact CG1-CB 4.16Å
324	R	96.6	Very high	95.4	Very high	25 Å²	25	35.7 Å²	35.7	9%	0.094	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	145	-178	-67.7	-176.9	-170.4	-157.6	14.4	111.1	G298 H299 D300 Y315 S316 D320 T322 W326 L333 R335 T336	G298-R324 VanDerWaalsContact C-CZ 3.49Å; G298-R324 PolarHBondContact O-NH1 2.99Å; G298-R324 PolarHBondContact O-NH2 3.21Å; H299-R324 VanDerWaalsContact CE1-CD 3.45Å; H299-R324 WeakPolarHBondContact CE1-CD 3.42Å; H299-R324 VanDerWaalsContact CE1-CG 3.49Å; H299-R324 WeakPolarHBondContact CE1-CG 3.44Å; H299-R324 PolarHBondContact ND1-NE 3.36Å; D300-R324 IonicContact OD2-NH2 3.36Å; Y315-R324 WeakPolarHBondContact CA-O 3.44Å; S316-R324 PolarHBondContact N-O 2.8Å; S316-R324 PolarHBondContact O-N 2.99Å; D320-R324 IonicContact OD2-NH2 3.96Å; T322-R324 PolarHBondContact OG1-NE 3.1Å; R324-W326 HydrophobicContact CB-CD2 4.49Å; R324-W326 HydrophobicContact CB-CH2 4.48Å; R324-W326 HydrophobicContact CB-CZ2 3.55Å; R324-W326 VanDerWaalsContact CD-CZ2 3.43Å; R324-W326 HydrophobicContact CG-CZ2 4.13Å; R324-L333 HydrophobicContact CB-CD1 3.74Å; R324-L333 HydrophobicContact CG-CD1 3.95Å; R324-R335 WeakPolarHBondContact CA-O 3.44Å; R324-T336 HydrophobicContact CG-CG2 4.06Å
325	V	96.9	Very high	95.2	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	123.2	178.6	-171	0	0	0	0	107.8	L313 I314 Y315 C334 R335 L337 P417	L313-V325 HydrophobicContact CB-CG1 4.24Å; L313-V325 HydrophobicContact CD1-CG1 4.12Å; L313-V325 HydrophobicContact CD2-CG1 4.37Å; L313-V325 HydrophobicContact CG-CG1 4.49Å; I314-V325 CarbonylContact O-C 3.53Å; I314-V325 WeakPolarHBondContact O-CA 3.45Å; Y315-V325 HydrophobicContact CD1-CB 4.36Å; Y315-V325 HydrophobicContact CD1-CG1 3.91Å; Y315-V325 HydrophobicContact CD1-CG2 3.96Å; Y315-V325 HydrophobicContact CE1-CG1 3.71Å; Y315-V325 HydrophobicContact CE1-CG2 4.26Å; V325-C334 HydrophobicContact CB-CB 4.46Å; V325-C334 HydrophobicContact CG1-CB 4.42Å; V325-C334 WeakPolarHBondContact O-CB 3.45Å; V325-C334 PolarHBondContact O-N 3.04Å; V325-R335 HydrophobicContact CB-CB 4.14Å; V325-R335 HydrophobicContact CG2-CB 4.14Å; V325-R335 PolarHBondContact N-O 3.21Å; V325-R335 PolarHBondContact O-N 2.78Å; V325-L337 HydrophobicContact CG2-CD1 4.36Å; V325-P417 HydrophobicContact CG2-CB 3.91Å
326	W	96.9	Very high	95.2	Very high	6 Å²	6	38.8 Å²	38.8	2%	0.023	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	143.9	-175.6	-43.1	87.5	0	0	0	109.7	I296 H299 I314 S316 R324 V332 L333	I296-W326 HydrophobicContact CD1-CB 4.17Å; I296-W326 HydrophobicContact CD1-CG 4.39Å; I296-W326 HydrophobicContact CG2-CD2 3.45Å; I296-W326 VanDerWaalsContact CG2-CD2 3.45Å; I296-W326 HydrophobicContact CG2-CE3 3.2Å; I296-W326 HydrophobicContact CG2-CG 4.12Å; I296-W326 HydrophobicContact CG2-CH2 3.75Å; I296-W326 HydrophobicContact CG2-CZ2 3.98Å; I296-W326 HydrophobicContact CG2-CZ3 3.35Å; H299-W326 AromaticContact CD2-CZ2 3.86Å; I314-W326 HydrophobicContact CB-CB 4.29Å; I314-W326 PolarHBondContact N-O 3.49Å; I314-W326 PolarHBondContact O-N 2.87Å; S316-W326 PolarHBondContact OG-NE1 3.42Å; R324-W326 HydrophobicContact CB-CD2 4.49Å; R324-W326 HydrophobicContact CB-CH2 4.48Å; R324-W326 HydrophobicContact CB-CZ2 3.55Å; R324-W326 VanDerWaalsContact CD-CZ2 3.43Å; R324-W326 HydrophobicContact CG-CZ2 4.13Å; W326-V332 WeakPolarHBondContact CA-O 3.46Å; W326-L333 HydrophobicContact CD2-CD1 4.11Å; W326-L333 HydrophobicContact CE3-CB 3.77Å; W326-L333 HydrophobicContact CE3-CD1 3.87Å; W326-L333 HydrophobicContact CE3-CG 4.43Å; W326-L333 HydrophobicContact CH2-CD1 3.99Å; W326-L333 HydrophobicContact CZ2-CD1 4.19Å; W326-L333 HydrophobicContact CZ3-CB 3.65Å; W326-L333 HydrophobicContact CZ3-CD1 3.82Å; W326-L333 HydrophobicContact CZ3-CG 4.21Å
327	R	95.2	Very high	95	Very high	114 Å²	114	38.9 Å²	38.9	43%	0.43	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	129.7	167.1	-176.2	-174.7	-55.1	148.1	-3.6	108.4	K329 D330 G331 V332	R327-K329 HydrophobicContact CG-CB 4.47Å; R327-K329 PolarHBondContact O-N 3.29Å; R327-D330 WeakPolarHBondContact CB-OD1 3.39Å; R327-D330 WeakPolarHBondContact CD-OD1 3.49Å; R327-D330 WeakPolarHBondContact CD-OD2 3.33Å; R327-D330 IonicContact CZ-OD2 2.69Å; R327-D330 IonicContact NE-OD2 2.79Å; R327-D330 IonicContact NH1-OD2 3.71Å; R327-D330 PolarHBondContact NH1-OD2 2.75Å; R327-G331 VanDerWaalsContact O-CA 3.24Å; R327-G331 WeakPolarHBondContact O-CA 3.33Å; R327-G331 PolarHBondContact O-N 2.94Å; R327-V332 PolarHBondContact N-O 3.49Å
328	S	93.3	Very high	94.8	Very high	3 Å²	3	44 Å²	44	2%	0.021	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-35.8	-176.5	63.2	0	0	0	0	113.8	I284 W308 D312 D330	I284-S328 WeakPolarHBondContact CD1-O 3.49Å; W308-S328 VanDerWaalsContact CZ2-CB 3.48Å; D312-S328 VanDerWaalsContact O-CB 3.32Å; D312-S328 WeakPolarHBondContact O-CB 3.23Å; D312-S328 PolarHBondContact O-N 2.79Å; D312-S328 PolarHBondContact O-OG 2.6Å; D312-S328 WeakPolarHBondContact OD1-CB 3.34Å; D312-S328 PolarHBondContact OD1-OG 3.07Å; D312-S328 PolarHBondContact OD2-OG 3.18Å; D312-S328 VanDerWaalsContact OD2-OG 3.12Å; S328-D330 PolarHBondContact O-N 2.8Å
329	K	91.8	Very high	94.5	Very high	159 Å²	159	46.9 Å²	46.9	69%	0.691	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-32	-172.3	-65.5	-175	179.1	-179.1	0	115.1	H294 R327	H294-K329 PolarHBondContact NE2-O 3.47Å; R327-K329 HydrophobicContact CG-CB 4.47Å; R327-K329 PolarHBondContact O-N 3.29Å
330	D	91.3	Very high	94.3	Very high	67 Å²	67	46.3 Å²	46.3	36%	0.358	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.4	-9.5	-174.4	56.2	9.3	0	0	0	112.7	R327 S328 V332	R327-D330 WeakPolarHBondContact CB-OD1 3.39Å; R327-D330 WeakPolarHBondContact CD-OD1 3.49Å; R327-D330 WeakPolarHBondContact CD-OD2 3.33Å; R327-D330 IonicContact CZ-OD2 2.69Å; R327-D330 IonicContact NE-OD2 2.79Å; R327-D330 IonicContact NH1-OD2 3.71Å; R327-D330 PolarHBondContact NH1-OD2 2.75Å; S328-D330 PolarHBondContact O-N 2.8Å; D330-V332 HydrophobicContact CB-CG2 4.08Å; D330-V332 PolarHBondContact O-N 2.72Å; D330-V332 WeakPolarHBondContact OD1-CB 3.36Å; D330-V332 WeakPolarHBondContact OD1-CG2 3.39Å; D330-V332 PolarHBondContact OD1-N 3.16Å; D330-V332 WeakPolarHBondContact OD2-CG2 3.47Å
331	G	91.6	Very high	94.1	Very high	14 Å²	14	47.5 Å²	47.5	14%	0.144	25%	0.245	C	C	.	.			trans	73.4	12.9	-175.8	0	0	0	0	0	114	R327	R327-G331 VanDerWaalsContact O-CA 3.24Å; R327-G331 WeakPolarHBondContact O-CA 3.33Å; R327-G331 PolarHBondContact O-N 2.94Å
332	V	94.4	Very high	94.1	Very high	69 Å²	69	45.3 Å²	45.3	42%	0.418	24%	0.24	S	C	.	.			trans	-69.1	134.6	-178.7	171.9	0	0	0	0	110.3	W326 R327 D330 C334	W326-V332 WeakPolarHBondContact CA-O 3.46Å; R327-V332 PolarHBondContact N-O 3.49Å; D330-V332 HydrophobicContact CB-CG2 4.08Å; D330-V332 PolarHBondContact O-N 2.72Å; D330-V332 WeakPolarHBondContact OD1-CB 3.36Å; D330-V332 WeakPolarHBondContact OD1-CG2 3.39Å; D330-V332 PolarHBondContact OD1-N 3.16Å; D330-V332 WeakPolarHBondContact OD2-CG2 3.47Å; V332-C334 PolarHBondContact O-N 3.43Å; V332-C334 VanDerWaalsContact O-N 3.15Å
333	L	95.3	Very high	94.1	Very high	66 Å²	66	49 Å²	49	35%	0.346	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	106.4	172.4	-179.7	61.7	0	0	0	109.9	R324 W326 R335	R324-L333 HydrophobicContact CB-CD1 3.74Å; R324-L333 HydrophobicContact CG-CD1 3.95Å; W326-L333 HydrophobicContact CD2-CD1 4.11Å; W326-L333 HydrophobicContact CE3-CB 3.77Å; W326-L333 HydrophobicContact CE3-CD1 3.87Å; W326-L333 HydrophobicContact CE3-CG 4.43Å; W326-L333 HydrophobicContact CH2-CD1 3.99Å; W326-L333 HydrophobicContact CZ2-CD1 4.19Å; W326-L333 HydrophobicContact CZ3-CB 3.65Å; W326-L333 HydrophobicContact CZ3-CD1 3.82Å; W326-L333 HydrophobicContact CZ3-CG 4.21Å; L333-R335 WeakPolarHBondContact CD1-O 3.27Å
334	C	93.6	Very high	94.1	Very high	44 Å²	44	49 Å²	49	30%	0.297	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	-47.4	175.2	-62.8	0	0	0	0	110.3	V325 V332	V325-C334 HydrophobicContact CB-CB 4.46Å; V325-C334 HydrophobicContact CG1-CB 4.42Å; V325-C334 WeakPolarHBondContact O-CB 3.45Å; V325-C334 PolarHBondContact O-N 3.04Å; V332-C334 PolarHBondContact O-N 3.43Å; V332-C334 VanDerWaalsContact O-N 3.15Å
335	R	93.8	Very high	94	Very high	22 Å²	22	49.2 Å²	49.2	8%	0.083	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	147.5	-168.6	-51.2	179.4	-36.4	142.3	37.1	112.1	R324 V325 L333 L337 P417 D420 K421	R324-R335 WeakPolarHBondContact CA-O 3.44Å; V325-R335 HydrophobicContact CB-CB 4.14Å; V325-R335 HydrophobicContact CG2-CB 4.14Å; V325-R335 PolarHBondContact N-O 3.21Å; V325-R335 PolarHBondContact O-N 2.78Å; L333-R335 WeakPolarHBondContact CD1-O 3.27Å; R335-L337 VanDerWaalsContact NH2-CD2 3.32Å; R335-P417 PolarHBondContact NE-O 3.06Å; R335-P417 PolarHBondContact NH1-O 3.28Å; R335-P417 PolarHBondContact NH2-O 3.43Å; R335-D420 PolarHBondContact NH1-O 2.94Å; R335-K421 HydrophobicContact CB-CD 4.37Å; R335-K421 HydrophobicContact CB-CG 4.02Å; R335-K421 HydrophobicContact CG-CG 4.03Å
336	T	95.6	Very high	93.9	Very high	43 Å²	43	49.6 Å²	49.6	26%	0.264	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	124.1	173.6	-49	0	0	0	0	108.2	T322 R324 N338	T322-T336 HydrophobicContact CG2-CG2 4.45Å; R324-T336 HydrophobicContact CG-CG2 4.06Å; T336-N338 WeakPolarHBondContact CG2-OD1 3.42Å
337	L	94.5	Very high	93.9	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.016	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	103.9	-179.2	-48.1	174.9	0	0	0	107.8	I323 V325 R335 L403 W415 K421	I323-L337 HydrophobicContact CB-CB 4.13Å; I323-L337 HydrophobicContact CB-CD1 4.35Å; I323-L337 HydrophobicContact CG2-CD1 4.16Å; I323-L337 PolarHBondContact N-O 3.2Å; I323-L337 PolarHBondContact O-N 2.96Å; V325-L337 HydrophobicContact CG2-CD1 4.36Å; R335-L337 VanDerWaalsContact NH2-CD2 3.32Å; L337-L403 HydrophobicContact CD1-CD2 4.29Å; L337-W415 HydrophobicContact CB-CD2 4.36Å; L337-W415 HydrophobicContact CB-CE3 4.22Å; L337-W415 HydrophobicContact CB-CH2 3.88Å; L337-W415 HydrophobicContact CB-CZ2 4.03Å; L337-W415 HydrophobicContact CB-CZ3 3.99Å; L337-W415 HydrophobicContact CD1-CB 4.31Å; L337-W415 HydrophobicContact CD1-CD2 3.8Å; L337-W415 HydrophobicContact CD1-CE3 3.95Å; L337-W415 HydrophobicContact CD1-CG 3.96Å; L337-W415 HydrophobicContact CD2-CE3 3.81Å; L337-W415 HydrophobicContact CD2-CZ3 3.88Å; L337-W415 HydrophobicContact CG-CD2 4.44Å; L337-W415 HydrophobicContact CG-CE3 4.2Å; L337-W415 HydrophobicContact CG-CZ3 4.35Å; L337-K421 HydrophobicContact CD2-CB 4.2Å
338	N	91.6	Very high	94	Very high	106 Å²	106	44.1 Å²	44.1	57%	0.567	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112.9	101.8	-174.6	-65.9	-20.3	0	0	0	108.2	T322 T336	T322-N338 VanDerWaalsContact CB-OD1 3.22Å; T322-N338 WeakPolarHBondContact CB-OD1 3.28Å; T322-N338 WeakPolarHBondContact CG2-OD1 3.33Å; T336-N338 WeakPolarHBondContact CG2-OD1 3.42Å
339	L	92.1	Very high	94.2	Very high	62 Å²	62	44 Å²	44	33%	0.325	24%	0.237	S	C	.	.			trans	-145.4	-35.5	-178.5	-168.2	62.9	0	0	0	113.4	W415 P423 P426	L339-W415 HydrophobicContact CB-CH2 3.7Å; L339-W415 HydrophobicContact CB-CZ2 3.61Å; L339-W415 HydrophobicContact CD2-CH2 3.63Å; L339-W415 HydrophobicContact CD2-CZ2 3.46Å; L339-W415 VanDerWaalsContact CD2-CZ2 3.46Å; L339-W415 HydrophobicContact CG-CH2 4.29Å; L339-W415 HydrophobicContact CG-CZ2 4.22Å; L339-P423 HydrophobicContact CD2-CB 4.16Å; L339-P423 HydrophobicContact CD2-CG 3.99Å; L339-P426 HydrophobicContact CD2-CB 4.03Å; L339-P426 WeakPolarHBondContact CD2-O 3.45Å
340	H	91.8	Very high	94.4	Very high	13 Å²	13	36.9 Å²	36.9	6%	0.06	21%	0.207	C	C	.	.			trans	-69.1	139.6	178.8	-74	-66.5	0	0	0	111.5	V344 S407 D409 T411 S413	H340-V344 HydrophobicContact CB-CG2 3.95Å; H340-S407 WeakPolarHBondContact ND1-CB 3.49Å; H340-D409 IonicContact ND1-OD1 2.75Å; H340-D409 IonicContact ND1-OD2 3.08Å; H340-T411 PolarHBondContact ND1-OG1 3.35Å; H340-S413 PolarHBondContact NE2-OG 3.44Å
341	G	91.4	Very high	94.6	Very high	46 Å²	46	33.7 Å²	33.7	47%	0.474	19%	0.19	S	C	.	.	S	Bend	trans	-83.9	-15.5	176.6	0	0	0	0	0	113.2	R321 D409	R321-G341 WeakPolarHBondContact CD-O 3.41Å; R321-G341 PolarHBondContact NE-O 2.94Å; G341-D409 PolarHBondContact N-OD2 2.91Å
342	H	96	Very high	94.8	Very high	74 Å²	74	34.1 Å²	34.1	34%	0.343	19%	0.189	S	C	.	.	S	Bend	trans	-135.9	-174.5	-179.2	-146	-86	0	0	0	111.9	R321 S407 D408 D409	R321-H342 WeakPolarHBondContact CA-O 3.45Å; R321-H342 WeakPolarHBondContact CB-O 3.34Å; R321-H342 WeakPolarHBondContact CG-O 3.32Å; H342-S407 PolarHBondContact O-OG 3.13Å; H342-D408 HydrophobicContact CB-CB 3.73Å; H342-D408 IonicContact CE1-OD2 3.42Å; H342-D408 PolarHBondContact CE1-OD2 3.35Å; H342-D408 WeakPolarHBondContact ND1-CB 3.27Å; H342-D408 IonicContact ND1-OD2 3.16Å; H342-D408 PolarHBondContact ND1-OD2 2.7Å; H342-D409 HydrophobicContact CB-CB 3.9Å
343	W	96.2	Very high	94.9	Very high	93 Å²	93	32.5 Å²	32.5	35%	0.352	18%	0.176	S	C	.	.			trans	-56.7	140.3	-177.9	-57.3	-10.5	0	0	0	111.2	Q319 S407 D408	Q319-W343 HydrophobicContact CB-CB 4.3Å; Q319-W343 HydrophobicContact CB-CD2 4.1Å; Q319-W343 HydrophobicContact CB-CG 3.85Å; Q319-W343 HydrophobicContact CG-CB 4.29Å; Q319-W343 HydrophobicContact CG-CD2 4.03Å; Q319-W343 HydrophobicContact CG-CE3 4.29Å; Q319-W343 HydrophobicContact CG-CG 4.06Å; W343-S407 WeakPolarHBondContact O-CA 3.46Å; W343-S407 VanDerWaalsContact O-CB 3.3Å; W343-S407 WeakPolarHBondContact O-CB 3.47Å; W343-S407 PolarHBondContact O-OG 2.8Å; W343-D408 WeakPolarHBondContact CB-OD2 3.46Å; W343-D408 PolarHBondContact O-N 3.42Å
344	V	96.7	Very high	94.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	115.8	173.5	-171.1	0	0	0	0	107.9	A317 S318 I323 H340 A405	A317-V344 HydrophobicContact CB-CB 3.94Å; A317-V344 HydrophobicContact CB-CG1 3.56Å; S318-V344 PolarHBondContact O-N 2.94Å; I323-V344 HydrophobicContact CD1-CG1 4.42Å; I323-V344 HydrophobicContact CG1-CG1 4.1Å; I323-V344 HydrophobicContact CG1-CG2 4.31Å; H340-V344 HydrophobicContact CB-CG2 3.95Å; V344-A405 HydrophobicContact CG1-CB 3.8Å
345	N	94.3	Very high	94.9	Very high	30 Å²	30	28.5 Å²	28.5	16%	0.16	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-38.6	-170.5	-68	-36	0	0	0	113	V304 G406 D408 V434	V304-N345 WeakPolarHBondContact CG1-O 3.4Å; N345-G406 PolarHBondContact N-O 2.85Å; N345-D408 PolarHBondContact ND2-OD1 3.45Å; N345-V434 WeakPolarHBondContact ND2-CG1 3.4Å
346	C	95.2	Very high	94.9	Very high	8 Å²	8	29.9 Å²	29.9	5%	0.054	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	150.2	-172.2	59.3	0	0	0	0	110.6	A405 G406 V438	C346-A405 WeakPolarHBondContact O-CA 3.42Å; C346-G406 PolarHBondContact N-O 2.87Å; C346-G406 PolarHBondContact O-N 2.81Å; C346-G406 VanDerWaalsContact SG-CA 3.57Å; C346-V438 HydrophobicContact CB-CG1 4.19Å; C346-V438 VanDerWaalsContact SG-CG1 3.59Å
347	L	96.4	Very high	94.7	Very high	5 Å²	5	28 Å²	28	3%	0.026	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	131	-176	-173.5	146.6	0	0	0	108.2	A305 R307 A317 I323 L403 V404	A305-L347 HydrophobicContact CB-CB 4.05Å; R307-L347 HydrophobicContact CB-CD2 3.65Å; R307-L347 HydrophobicContact CG-CD2 3.22Å; R307-L347 PolarHBondContact NE-O 2.94Å; A317-L347 HydrophobicContact CB-CB 4.11Å; A317-L347 HydrophobicContact CB-CD1 3.82Å; I323-L347 HydrophobicContact CG2-CD1 3.77Å; L347-L403 HydrophobicContact CD1-CD1 3.92Å; L347-L403 HydrophobicContact CD1-CD2 4.4Å; L347-L403 HydrophobicContact CD2-CD1 3.41Å; L347-L403 VanDerWaalsContact CD2-CD1 3.41Å; L347-L403 HydrophobicContact CG-CD1 3.53Å; L347-L403 HydrophobicContact CG-CG 4.44Å; L347-V404 WeakPolarHBondContact CA-O 3.39Å
348	A	97.6	Very high	94.4	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	145.6	177.8	0	0	0	0	0	112.1	D352 L403 V404 V438 F440	A348-D352 WeakPolarHBondContact CA-OD2 3.33Å; A348-L403 WeakPolarHBondContact O-CA 3.24Å; A348-V404 HydrophobicContact CB-CG1 3.85Å; A348-V404 PolarHBondContact N-O 2.94Å; A348-V404 PolarHBondContact O-N 2.55Å; A348-V438 HydrophobicContact CB-CG1 4.2Å; A348-V438 VanDerWaalsContact CB-O 3.29Å; A348-V438 WeakPolarHBondContact CB-O 3.47Å; A348-F440 HydrophobicContact CB-CD2 4.29Å
349	L	97.2	Very high	94.3	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	151.1	173.9	-62.2	171.4	0	0	0	111.1	R307 Y315 T351 D352 R402 L403 F440	R307-L349 HydrophobicContact CB-CD1 3.94Å; R307-L349 HydrophobicContact CB-CG 4.24Å; Y315-L349 HydrophobicContact CD2-CD1 3.79Å; Y315-L349 HydrophobicContact CD2-CD2 3.62Å; Y315-L349 HydrophobicContact CD2-CG 4.17Å; Y315-L349 HydrophobicContact CE2-CD1 3.74Å; Y315-L349 HydrophobicContact CE2-CD2 3.53Å; Y315-L349 HydrophobicContact CE2-CG 4.26Å; Y315-L349 HydrophobicContact CG-CD2 4.32Å; L349-T351 PolarHBondContact O-N 2.75Å; L349-T351 VanDerWaalsContact O-N 3.13Å; L349-D352 HydrophobicContact CB-CB 4.4Å; L349-D352 WeakPolarHBondContact CB-OD1 3.43Å; L349-D352 VanDerWaalsContact N-CG 3.27Å; L349-D352 PolarHBondContact N-OD2 2.91Å; L349-D352 WeakPolarHBondContact O-CB 3.45Å; L349-D352 PolarHBondContact O-N 3.22Å; L349-D352 VanDerWaalsContact O-N 3.13Å; L349-R402 CarbonylContact C-O 3.57Å; L349-R402 WeakPolarHBondContact CA-O 3.36Å; L349-L403 HydrophobicContact CD2-CB 4.11Å; L349-L403 HydrophobicContact CD2-CD1 3.47Å; L349-L403 VanDerWaalsContact CD2-CD1 3.47Å; L349-L403 HydrophobicContact CD2-CG 4.43Å; L349-L403 HydrophobicContact CG-CD1 4.31Å; L349-F440 VanDerWaalsContact O-CD2 3.29Å; L349-F440 WeakPolarHBondContact O-CD2 3.27Å
350	S	95.9	Very high	94.1	Very high	9 Å²	9	23.2 Å²	23.2	6%	0.063	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-22.4	171.9	58.1	0	0	0	0	113.1	R402	S350-R402 PolarHBondContact N-O 2.82Å; S350-R402 PolarHBondContact OG-N 3.23Å
351	T	95.7	Very high	93.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	1.4	-178.5	50.1	0	0	0	0	113	L349 Y353 V354 L355 Y392 K396 E401	L349-T351 PolarHBondContact O-N 2.75Å; L349-T351 VanDerWaalsContact O-N 3.13Å; T351-Y353 VanDerWaalsContact C-N 3.25Å; T351-Y353 PolarHBondContact O-N 3.34Å; T351-Y353 VanDerWaalsContact O-N 3.15Å; T351-V354 WeakPolarHBondContact O-CG1 3.48Å; T351-V354 PolarHBondContact O-N 3.1Å; T351-L355 WeakPolarHBondContact O-CB 3.34Å; T351-L355 WeakPolarHBondContact O-CG 3.17Å; T351-L355 PolarHBondContact O-N 3.45Å; T351-L355 WeakPolarHBondContact OG1-CD1 3.34Å; T351-Y392 HydrophobicContact CG2-CD2 4.09Å; T351-Y392 HydrophobicContact CG2-CE2 3.66Å; T351-K396 HydrophobicContact CG2-CB 4.29Å; T351-E401 HydrophobicContact CG2-CG 4.14Å; T351-E401 PolarHBondContact OG1-OE1 3.23Å
352	D	95.8	Very high	93.3	Very high	23 Å²	23	23.7 Å²	23.7	12%	0.123	11%	0.114	C	C	.	.	H	α-helix	trans	-55.4	-39.6	-174.5	-91.7	-14	0	0	0	113.1	R307 A348 L349 R356	R307-D352 IonicContact CZ-OD2 3.51Å; R307-D352 IonicContact NE-OD2 2.79Å; R307-D352 PolarHBondContact NE-OD2 2.78Å; R307-D352 IonicContact NH1-OD1 3.38Å; R307-D352 IonicContact NH1-OD2 3.07Å; R307-D352 PolarHBondContact NH1-OD2 2.93Å; A348-D352 WeakPolarHBondContact CA-OD2 3.33Å; L349-D352 HydrophobicContact CB-CB 4.4Å; L349-D352 WeakPolarHBondContact CB-OD1 3.43Å; L349-D352 VanDerWaalsContact N-CG 3.27Å; L349-D352 PolarHBondContact N-OD2 2.91Å; L349-D352 WeakPolarHBondContact O-CB 3.45Å; L349-D352 PolarHBondContact O-N 3.22Å; L349-D352 VanDerWaalsContact O-N 3.13Å; D352-R356 VanDerWaalsContact O-CB 3.22Å; D352-R356 WeakPolarHBondContact O-CB 3.32Å; D352-R356 PolarHBondContact O-N 3.34Å
353	Y	95.2	Very high	92.6	Very high	34 Å²	34	22.7 Å²	22.7	13%	0.133	12%	0.118	C	C	.	.	H	α-helix	trans	-65.3	-49.5	-178.8	-171.5	-86.4	0	0	0	111.6	T351 R356 T357 P362 P442 S484 P568	T351-Y353 VanDerWaalsContact C-N 3.25Å; T351-Y353 PolarHBondContact O-N 3.34Å; T351-Y353 VanDerWaalsContact O-N 3.15Å; Y353-R356 WeakPolarHBondContact O-CB 3.21Å; Y353-R356 PolarHBondContact O-N 3.31Å; Y353-T357 HydrophobicContact CD1-CG2 4.32Å; Y353-T357 HydrophobicContact CE1-CG2 3.86Å; Y353-T357 PolarHBondContact O-N 2.85Å; Y353-T357 PolarHBondContact O-OG1 2.95Å; Y353-P362 HydrophobicContact CE1-CG 4.13Å; Y353-P442 HydrophobicContact CD1-CB 3.65Å; Y353-P442 HydrophobicContact CD1-CG 3.97Å; Y353-P442 HydrophobicContact CD2-CB 4.35Å; Y353-P442 HydrophobicContact CD2-CG 3.81Å; Y353-P442 HydrophobicContact CE1-CB 4.07Å; Y353-P442 HydrophobicContact CE1-CG 4.16Å; Y353-P442 HydrophobicContact CE2-CG 4.01Å; Y353-P442 HydrophobicContact CG-CB 3.82Å; Y353-P442 HydrophobicContact CG-CG 3.79Å; Y353-S484 WeakPolarHBondContact OH-CB 3.46Å; Y353-P568 WeakPolarHBondContact OH-CA 3.36Å
354	V	94.1	Very high	91.5	Very high	10 Å²	10	22.9 Å²	22.9	6%	0.061	13%	0.133	C	C	.	.	H	α-helix	trans	-69.7	-35.2	-179.6	67.1	0	0	0	0	112.1	T351 R356 T357 G358 L391 Y392 V395	T351-V354 WeakPolarHBondContact O-CG1 3.48Å; T351-V354 PolarHBondContact O-N 3.1Å; V354-R356 VanDerWaalsContact C-N 3.27Å; V354-R356 PolarHBondContact O-N 3.35Å; V354-T357 PolarHBondContact O-N 3.37Å; V354-T357 PolarHBondContact O-OG1 3.1Å; V354-G358 PolarHBondContact O-N 3.44Å; V354-L391 HydrophobicContact CG2-CB 3.77Å; V354-Y392 HydrophobicContact CG1-CD2 4.34Å; V354-V395 HydrophobicContact CB-CG2 4.19Å; V354-V395 HydrophobicContact CG1-CB 4.13Å; V354-V395 HydrophobicContact CG1-CG1 4.24Å; V354-V395 HydrophobicContact CG1-CG2 4.33Å; V354-V395 HydrophobicContact CG2-CG2 4.29Å
355	L	95.3	Very high	90.1	Very high	17 Å²	17	25.1 Å²	25.1	9%	0.089	15%	0.151	C	C	.	.	H	α-helix	trans	-67.6	-31.7	175.2	-63.8	174	0	0	0	111.8	P263 T351 Y392	P263-L355 HydrophobicContact CB-CD2 3.77Å; P263-L355 HydrophobicContact CG-CD1 4.41Å; P263-L355 HydrophobicContact CG-CD2 3.83Å; T351-L355 WeakPolarHBondContact O-CB 3.34Å; T351-L355 WeakPolarHBondContact O-CG 3.17Å; T351-L355 PolarHBondContact O-N 3.45Å; T351-L355 WeakPolarHBondContact OG1-CD1 3.34Å; L355-Y392 HydrophobicContact CD2-CD2 3.64Å; L355-Y392 HydrophobicContact CD2-CE2 3.97Å; L355-Y392 HydrophobicContact CD2-CG 4.47Å; L355-Y392 HydrophobicContact CG-CD2 4.36Å
356	R	94	Very high	88.5	Confident	51 Å²	51	31.4 Å²	31.4	19%	0.192	18%	0.18	C	C	.	.	H	α-helix	trans	-70.4	-44.7	173.5	176	-171.1	168.8	-175.3	-4	111.8	F160 P162 D352 Y353 V354 G358 D565	F160-R356 PolarHBondContact O-NH2 3.3Å; P162-R356 WeakPolarHBondContact CB-O 3.29Å; P162-R356 VanDerWaalsContact CG-O 3.28Å; P162-R356 WeakPolarHBondContact CG-O 3.33Å; D352-R356 VanDerWaalsContact O-CB 3.22Å; D352-R356 WeakPolarHBondContact O-CB 3.32Å; D352-R356 PolarHBondContact O-N 3.34Å; Y353-R356 WeakPolarHBondContact O-CB 3.21Å; Y353-R356 PolarHBondContact O-N 3.31Å; V354-R356 VanDerWaalsContact C-N 3.27Å; V354-R356 PolarHBondContact O-N 3.35Å; R356-G358 VanDerWaalsContact C-N 3.33Å; R356-D565 IonicContact CZ-OD1 3.83Å; R356-D565 IonicContact CZ-OD2 2.72Å; R356-D565 IonicContact NH1-OD1 3.44Å; R356-D565 PolarHBondContact NH1-OD1 3.37Å; R356-D565 IonicContact NH1-OD2 3.34Å; R356-D565 PolarHBondContact NH1-OD2 3.31Å; R356-D565 IonicContact NH2-OD1 2.71Å; R356-D565 PolarHBondContact NH2-OD1 3.46Å; R356-D565 IonicContact NH2-OD2 3.97Å; R356-D565 PolarHBondContact NH2-OD2 3.14Å
357	T	91.3	Very high	86.5	Confident	3 Å²	3	36.3 Å²	36.3	2%	0.018	21%	0.205	C	C	.	.	H	α-helix	trans	-79	-17.6	-179.3	59.5	0	0	0	0	112.9	Y353 V354 A359 F360 P568	Y353-T357 HydrophobicContact CD1-CG2 4.32Å; Y353-T357 HydrophobicContact CE1-CG2 3.86Å; Y353-T357 PolarHBondContact O-N 2.85Å; Y353-T357 PolarHBondContact O-OG1 2.95Å; V354-T357 PolarHBondContact O-N 3.37Å; V354-T357 PolarHBondContact O-OG1 3.1Å; T357-A359 PolarHBondContact O-N 2.89Å; T357-A359 VanDerWaalsContact O-N 3.09Å; T357-F360 WeakPolarHBondContact CB-O 3.43Å; T357-F360 WeakPolarHBondContact O-CB 3.45Å; T357-F360 WeakPolarHBondContact O-CD2 3.43Å; T357-F360 PolarHBondContact O-N 3.35Å; T357-P568 HydrophobicContact CG2-CB 4Å; T357-P568 HydrophobicContact CG2-CG 4.13Å
358	G	89.4	Confident	84.1	Confident	2 Å²	2	40.6 Å²	40.6	2%	0.021	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	-114.7	177.2	0	0	0	0	0	111.7	V354 R356	V354-G358 PolarHBondContact O-N 3.44Å; R356-G358 VanDerWaalsContact C-N 3.33Å
359	A	88.1	Confident	82.1	Confident	16 Å²	16	42.5 Å²	42.5	13%	0.132	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-11.5	-179.4	0	0	0	0	0	114.3	L264 T357 D361 L384 T387 A388	L264-A359 HydrophobicContact CD2-CB 3.96Å; T357-A359 PolarHBondContact O-N 2.89Å; T357-A359 VanDerWaalsContact O-N 3.09Å; A359-D361 PolarHBondContact O-N 3.12Å; A359-L384 HydrophobicContact CB-CB 4.07Å; A359-L384 HydrophobicContact CB-CD2 3.52Å; A359-L384 HydrophobicContact CB-CG 4.41Å; A359-L384 WeakPolarHBondContact CB-O 3.29Å; A359-T387 WeakPolarHBondContact CB-OG1 3.17Å; A359-A388 HydrophobicContact CB-CB 4.43Å
360	F	88.1	Confident	79.8	Confident	52 Å²	52	46.2 Å²	46.2	23%	0.228	26%	0.262	C	S	.	.			trans	-88	97.5	-172.4	-54.6	-71.3	0	0	0	110	P162 D163 A207 T357 P362	P162-F360 HydrophobicContact CB-CD2 3.69Å; P162-F360 HydrophobicContact CB-CE2 4.11Å; D163-F360 HydrophobicContact CB-CD1 3.83Å; D163-F360 HydrophobicContact CB-CD2 4.1Å; D163-F360 HydrophobicContact CB-CE1 3.85Å; D163-F360 HydrophobicContact CB-CE2 4.14Å; D163-F360 HydrophobicContact CB-CG 3.97Å; D163-F360 HydrophobicContact CB-CZ 4.01Å; A207-F360 HydrophobicContact CB-CE2 3.73Å; A207-F360 HydrophobicContact CB-CZ 4.06Å; T357-F360 WeakPolarHBondContact CB-O 3.43Å; T357-F360 WeakPolarHBondContact O-CB 3.45Å; T357-F360 WeakPolarHBondContact O-CD2 3.43Å; T357-F360 PolarHBondContact O-N 3.35Å; F360-P362 WeakPolarHBondContact O-CD 3.41Å
361	D	84.2	Confident	77.7	Confident	49 Å²	49	49.6 Å²	49.6	26%	0.262	28%	0.282	S	S	.	.			trans	-74.2	123	172.7	-169	-18.5	0	0	0	109.8	A359 A363 C364 A365 L391	A359-D361 PolarHBondContact O-N 3.12Å; D361-A363 PolarHBondContact O-N 3.27Å; D361-A363 VanDerWaalsContact O-N 3.1Å; D361-A363 WeakPolarHBondContact OD1-CB 3.4Å; D361-A363 PolarHBondContact OD1-N 3.35Å; D361-C364 PolarHBondContact O-N 2.59Å; D361-A365 PolarHBondContact O-N 2.69Å; D361-L391 HydrophobicContact CB-CD1 4.11Å; D361-L391 HydrophobicContact CB-CD2 4.29Å
362	P	83.5	Confident	75.7	Confident	21 Å²	21	50.5 Å²	50.5	14%	0.136	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-50.6	-30.1	171.1	-30.7	38.2	0	0	0	114.5	F136 Y353 F360 C364 A365 P568	F136-P362 HydrophobicContact CE1-CB 3.85Å; F136-P362 HydrophobicContact CE2-CB 4.14Å; F136-P362 HydrophobicContact CZ-CB 3.49Å; F136-P362 VanDerWaalsContact CZ-CB 3.49Å; F136-P362 HydrophobicContact CZ-CG 4.42Å; Y353-P362 HydrophobicContact CE1-CG 4.13Å; F360-P362 WeakPolarHBondContact O-CD 3.41Å; P362-C364 PolarHBondContact O-N 2.93Å; P362-A365 WeakPolarHBondContact O-CB 3.22Å; P362-A365 PolarHBondContact O-N 3.41Å; P362-P568 WeakPolarHBondContact CB-O 3.35Å
363	A	80.3	Confident	73.5	Confident	52 Å²	52	56.6 Å²	56.6	43%	0.43	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-65.3	-27.7	177.9	0	0	0	0	0	113.1	F136 D361	F136-A363 HydrophobicContact CD1-CB 3.71Å; F136-A363 HydrophobicContact CE1-CB 4.02Å; D361-A363 PolarHBondContact O-N 3.27Å; D361-A363 VanDerWaalsContact O-N 3.1Å; D361-A363 WeakPolarHBondContact OD1-CB 3.4Å; D361-A363 PolarHBondContact OD1-N 3.35Å
364	C	74.3	Confident	71.6	Confident	98 Å²	98	58.4 Å²	58.4	66%	0.662	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-101.5	7.5	-178.8	-64.4	0	0	0	0	112.6	D361 P362 Q366	D361-C364 PolarHBondContact O-N 2.59Å; P362-C364 PolarHBondContact O-N 2.93Å; C364-Q366 PolarHBondContact O-N 2.86Å
365	A	65.7	Low	69.7	Low	46 Å²	46	59.6 Å²	59.6	38%	0.38	34%	0.339	S	S	.	.			trans	-63.6	107	-177.3	0	0	0	0	0	110.5	D361 P362 D569	D361-A365 PolarHBondContact O-N 2.69Å; P362-A365 WeakPolarHBondContact O-CB 3.22Å; P362-A365 PolarHBondContact O-N 3.41Å; A365-D569 HydrophobicContact CB-CB 3.78Å
366	Q	61.1	Low	68.3	Low	163 Å²	163	66.7 Å²	66.7	76%	0.762	37%	0.37	S	S	*	.			trans	-85.6	133.5	172.4	-68.3	-175.5	-4.1	0	0	109.7	C364 V368	C364-Q366 PolarHBondContact O-N 2.86Å; Q366-V368 PolarHBondContact O-N 3.05Å; Q366-V368 VanDerWaalsContact O-N 3.15Å
367	L	53.5	Low	67.4	Low	111 Å²	111	68 Å²	68	58%	0.581	38%	0.381	S	S	*	.	S	Bend	trans	-59.4	-25.3	177.2	-172	75.2	0	0	0	112.3	K369	L367-K369 PolarHBondContact O-N 3.48Å
368	V	46.7	Very low	67	Low	95 Å²	95	72.6 Å²	72.6	58%	0.576	41%	0.41	S	S	*	.			trans	-72.8	98.2	180	-165.6	0	0	0	0	108.4	Q366 T370	Q366-V368 PolarHBondContact O-N 3.05Å; Q366-V368 VanDerWaalsContact O-N 3.15Å; V368-T370 HydrophobicContact CG1-CG2 3.67Å; V368-T370 PolarHBondContact O-N 3.12Å
369	K	54.6	Low	66.8	Low	40 Å²	40	79.5 Å²	79.5	17%	0.174	44%	0.442	C	S	.	.			trans	-68.6	63.7	168	-53.3	-166.8	-179	112.4	0	109.5	R165 L181 N182 L367	R165-K369 HydrophobicContact CB-CB 4.42Å; R165-K369 HydrophobicContact CB-CD 4.14Å; R165-K369 HydrophobicContact CB-CG 4.35Å; R165-K369 HydrophobicContact CG-CB 4.09Å; R165-K369 HydrophobicContact CG-CD 4.4Å; R165-K369 HydrophobicContact CG-CG 4.08Å; R165-K369 WeakPolarHBondContact O-CD 3.43Å; L181-K369 VanDerWaalsContact C-NZ 3.31Å; L181-K369 PolarHBondContact O-NZ 2.95Å; N182-K369 VanDerWaalsContact OD1-CD 3.25Å; N182-K369 WeakPolarHBondContact OD1-CD 3.45Å; N182-K369 PolarHBondContact OD1-NZ 3.46Å; L367-K369 PolarHBondContact O-N 3.48Å
370	T	48.5	Very low	66.5	Low	78 Å²	78	80 Å²	80	48%	0.479	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-61.8	145.4	164.2	47	0	0	0	0	108.2	R165 V368	R165-T370 WeakPolarHBondContact CD-O 3.21Å; R165-T370 PolarHBondContact NE-O 2.75Å; R165-T370 PolarHBondContact NH2-O 3Å; V368-T370 HydrophobicContact CG1-CG2 3.67Å; V368-T370 PolarHBondContact O-N 3.12Å
371	V	52.3	Low	66.3	Low	81 Å²	81	81.4 Å²	81.4	49%	0.491	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-49.3	128.5	171.2	-177.4	0	0	0	0	106.8	I373	V371-I373 PolarHBondContact O-N 2.79Å
372	P	53.3	Low	66.4	Low	19 Å²	19	84.1 Å²	84.1	12%	0.123	47%	0.466	C	S	.	.	P	Polyproline II helix	trans	-50.8	122.5	172.1	0.1	-0.5	0	0	0	106.1	L374	P372-L374 PolarHBondContact O-N 3.07Å
373	I	50.6	Low	66.7	Low	150 Å²	150	90 Å²	90	77%	0.769	49%	0.489	S	S	*	.			trans	-64.7	95.1	168.9	-56.4	173.6	0	0	0	103.1	V371 S375	V371-I373 PolarHBondContact O-N 2.79Å; I373-S375 PolarHBondContact O-N 2.97Å; I373-S375 PolarHBondContact O-OG 3.12Å
374	L	55.7	Low	67	Low	73 Å²	73	90.3 Å²	90.3	38%	0.382	48%	0.484	S	S	.	.			trans	-60.6	69.5	162.4	-91.4	133.4	0	0	0	105.3	V208 P372 K376	V208-L374 HydrophobicContact CG1-CD2 3.61Å; V208-L374 HydrophobicContact CG2-CD2 4.33Å; P372-L374 PolarHBondContact O-N 3.07Å; L374-K376 VanDerWaalsContact C-N 3.29Å; L374-K376 PolarHBondContact O-N 3.25Å
375	S	53.3	Low	67.8	Low	34 Å²	34	86.4 Å²	86.4	24%	0.238	46%	0.458	C	S	.	.			trans	-68.9	102.7	173.2	44.6	0	0	0	0	103.4	I373 D377 A380	I373-S375 PolarHBondContact O-N 2.97Å; I373-S375 PolarHBondContact O-OG 3.12Å; S375-D377 PolarHBondContact O-N 3.21Å; S375-D377 VanDerWaalsContact O-N 3.15Å; S375-A380 WeakPolarHBondContact OG-CB 3.2Å
376	K	65.4	Low	69	Low	167 Å²	167	89.8 Å²	89.8	73%	0.726	47%	0.466	S	S	*	.			trans	-61.6	-8.6	163.4	-65.7	-179.3	-178.2	172.8	0	110.4	E226 L374 P378	E226-K376 IonicContact OE1-NZ 3.99Å; L374-K376 VanDerWaalsContact C-N 3.29Å; L374-K376 PolarHBondContact O-N 3.25Å; K376-P378 WeakPolarHBondContact O-CD 3.24Å
377	D	76.2	Confident	70.5	Confident	79 Å²	79	84.7 Å²	84.7	42%	0.422	45%	0.446	S	S	.	.			trans	-58.7	117.4	173	-171.1	3.8	0	0	0	111.5	S375 E379 A380 K381	S375-D377 PolarHBondContact O-N 3.21Å; S375-D377 VanDerWaalsContact O-N 3.15Å; D377-E379 PolarHBondContact O-N 2.9Å; D377-E379 PolarHBondContact OD1-N 2.74Å; D377-E379 VanDerWaalsContact OD1-N 3.14Å; D377-A380 HydrophobicContact CB-CB 4.32Å; D377-A380 PolarHBondContact O-N 3.39Å; D377-K381 PolarHBondContact O-N 2.89Å
378	P	82.3	Confident	72.3	Confident	99 Å²	99	79.6 Å²	79.6	64%	0.643	42%	0.42	S	S	*	.	H	α-helix	trans	-60.8	-29.4	177	25.6	-35.8	0	0	0	112.9	K376 K381 L382	K376-P378 WeakPolarHBondContact O-CD 3.24Å; P378-K381 PolarHBondContact O-N 3.27Å; P378-L382 PolarHBondContact O-N 3.42Å
379	E	85.1	Confident	74.6	Confident	147 Å²	147	80.7 Å²	80.7	69%	0.687	42%	0.417	S	S	*	.	H	α-helix	trans	-67.7	-42.3	-178.1	-169.7	176.2	172.9	0	0	111.5	D377 K381 L382 K383	D377-E379 PolarHBondContact O-N 2.9Å; D377-E379 PolarHBondContact OD1-N 2.74Å; D377-E379 VanDerWaalsContact OD1-N 3.14Å; E379-K381 VanDerWaalsContact C-N 3.34Å; E379-K381 PolarHBondContact O-N 3.08Å; E379-L382 PolarHBondContact O-N 3.33Å; E379-K383 WeakPolarHBondContact O-CB 3.22Å; E379-K383 PolarHBondContact O-N 3.38Å
380	A	82.3	Confident	76.5	Confident	26 Å²	26	82.7 Å²	82.7	22%	0.215	44%	0.436	C	S	.	.	H	α-helix	trans	-63	-39.6	175.8	0	0	0	0	0	112.3	S375 D377 K383 L384	S375-A380 WeakPolarHBondContact OG-CB 3.2Å; D377-A380 HydrophobicContact CB-CB 4.32Å; D377-A380 PolarHBondContact O-N 3.39Å; A380-K383 PolarHBondContact O-N 2.99Å; A380-L384 WeakPolarHBondContact O-CG 3.44Å; A380-L384 PolarHBondContact O-N 3.47Å
381	K	83.7	Confident	78.5	Confident	82 Å²	82	80.3 Å²	80.3	36%	0.357	42%	0.42	S	S	.	.	H	α-helix	trans	-65.2	-41.6	174.9	-68.7	-176.1	178.7	-179.1	0	112.3	D377 P378 E379 K383 L384 A385	D377-K381 PolarHBondContact O-N 2.89Å; P378-K381 PolarHBondContact O-N 3.27Å; E379-K381 VanDerWaalsContact C-N 3.34Å; E379-K381 PolarHBondContact O-N 3.08Å; K381-K383 VanDerWaalsContact C-N 3.33Å; K381-L384 PolarHBondContact O-N 2.96Å; K381-A385 PolarHBondContact O-N 3.47Å
382	L	86.8	Confident	80.5	Confident	105 Å²	105	76.6 Å²	76.6	55%	0.55	40%	0.397	S	S	.	.	H	α-helix	trans	-60.9	-46.2	176.1	-176.4	65.7	0	0	0	110.4	P378 E379 L384 A385 E386	P378-L382 PolarHBondContact O-N 3.42Å; E379-L382 PolarHBondContact O-N 3.33Å; L382-L384 VanDerWaalsContact C-N 3.33Å; L382-L384 PolarHBondContact O-N 2.93Å; L382-A385 WeakPolarHBondContact O-CB 3.34Å; L382-A385 PolarHBondContact O-N 3.5Å; L382-A385 VanDerWaalsContact O-N 3.1Å; L382-E386 WeakPolarHBondContact O-CG 3.34Å; L382-E386 PolarHBondContact O-N 2.57Å
383	K	88.4	Confident	82.4	Confident	145 Å²	145	79.5 Å²	79.5	63%	0.63	41%	0.409	S	S	*	.	H	α-helix	trans	-59.2	-41.7	175.9	-171.2	174.1	-177.2	173.6	0	112.4	E379 A380 K381 E386 T387	E379-K383 WeakPolarHBondContact O-CB 3.22Å; E379-K383 PolarHBondContact O-N 3.38Å; A380-K383 PolarHBondContact O-N 2.99Å; K381-K383 VanDerWaalsContact C-N 3.33Å; K383-E386 PolarHBondContact O-N 2.62Å; K383-T387 WeakPolarHBondContact O-CG2 3.41Å; K383-T387 PolarHBondContact O-N 2.94Å; K383-T387 PolarHBondContact O-OG1 2.96Å
384	L	87.3	Confident	84.2	Confident	59 Å²	59	80 Å²	80	31%	0.309	41%	0.406	S	S	.	.	H	α-helix	trans	-62.5	-40.3	174.3	-72	169.7	0	0	0	112.1	L264 A359 A380 K381 L382 T387 A388	L264-L384 HydrophobicContact CD2-CB 4.37Å; A359-L384 HydrophobicContact CB-CB 4.07Å; A359-L384 HydrophobicContact CB-CD2 3.52Å; A359-L384 HydrophobicContact CB-CG 4.41Å; A359-L384 WeakPolarHBondContact CB-O 3.29Å; A380-L384 WeakPolarHBondContact O-CG 3.44Å; A380-L384 PolarHBondContact O-N 3.47Å; K381-L384 PolarHBondContact O-N 2.96Å; L382-L384 VanDerWaalsContact C-N 3.33Å; L382-L384 PolarHBondContact O-N 2.93Å; L384-T387 WeakPolarHBondContact CA-OG1 3.31Å; L384-T387 PolarHBondContact O-OG1 3.43Å; L384-A388 VanDerWaalsContact O-CB 3.29Å; L384-A388 WeakPolarHBondContact O-CB 3.38Å; L384-A388 PolarHBondContact O-N 2.94Å
385	A	90.3	Very high	85.8	Confident	15 Å²	15	78.7 Å²	78.7	12%	0.124	40%	0.401	C	S	.	.	H	α-helix	trans	-67.4	-38.8	176.6	0	0	0	0	0	112	K381 L382 K389	K381-A385 PolarHBondContact O-N 3.47Å; L382-A385 WeakPolarHBondContact O-CB 3.34Å; L382-A385 PolarHBondContact O-N 3.5Å; L382-A385 VanDerWaalsContact O-N 3.1Å; A385-K389 WeakPolarHBondContact O-CB 3.27Å; A385-K389 PolarHBondContact O-N 2.79Å
386	E	92.5	Very high	87.6	Confident	118 Å²	118	79.2 Å²	79.2	55%	0.551	40%	0.399	S	S	*	.	H	α-helix	trans	-66	-44.1	175.9	-72.8	176.9	172.5	0	0	112.4	L382 K383 K389 S390	L382-E386 WeakPolarHBondContact O-CG 3.34Å; L382-E386 PolarHBondContact O-N 2.57Å; K383-E386 PolarHBondContact O-N 2.62Å; E386-K389 WeakPolarHBondContact O-CB 3.44Å; E386-K389 PolarHBondContact O-N 2.99Å; E386-S390 PolarHBondContact O-N 3.25Å
387	T	91.3	Very high	88.6	Confident	55 Å²	55	72.7 Å²	72.7	34%	0.337	38%	0.379	S	S	.	.	H	α-helix	trans	-64.8	-42.5	175.6	56.2	0	0	0	0	111.2	A359 K383 L384 K389 S390 L391	A359-T387 WeakPolarHBondContact CB-OG1 3.17Å; K383-T387 WeakPolarHBondContact O-CG2 3.41Å; K383-T387 PolarHBondContact O-N 2.94Å; K383-T387 PolarHBondContact O-OG1 2.96Å; L384-T387 WeakPolarHBondContact CA-OG1 3.31Å; L384-T387 PolarHBondContact O-OG1 3.43Å; T387-K389 VanDerWaalsContact C-N 3.29Å; T387-K389 PolarHBondContact O-N 3.2Å; T387-S390 PolarHBondContact O-N 3.13Å; T387-L391 WeakPolarHBondContact O-CG 3.37Å; T387-L391 PolarHBondContact O-N 3.15Å
388	A	92.2	Very high	89	Confident	4 Å²	4	72.8 Å²	72.8	3%	0.033	39%	0.386	C	S	.	.	H	α-helix	trans	-59.4	-40.3	174.3	0	0	0	0	0	112.2	L264 H265 A359 L384 Y392	L264-A388 HydrophobicContact CB-CB 4.03Å; L264-A388 HydrophobicContact CD2-CB 3.97Å; L264-A388 HydrophobicContact CG-CB 4.22Å; H265-A388 HydrophobicContact CB-CB 4.47Å; A359-A388 HydrophobicContact CB-CB 4.43Å; L384-A388 VanDerWaalsContact O-CB 3.29Å; L384-A388 WeakPolarHBondContact O-CB 3.38Å; L384-A388 PolarHBondContact O-N 2.94Å; A388-Y392 VanDerWaalsContact O-CB 3.26Å; A388-Y392 WeakPolarHBondContact O-CB 3.36Å; A388-Y392 PolarHBondContact O-N 3.41Å
389	K	94.1	Very high	89.2	Confident	118 Å²	118	70 Å²	70	51%	0.513	37%	0.365	S	S	.	.	H	α-helix	trans	-62.9	-45.3	175.1	-169.3	180	176.1	-176.6	0	111.7	H265 A385 E386 T387 Y392 E393	H265-K389 HydrophobicContact CB-CB 3.75Å; H265-K389 HydrophobicContact CB-CG 4.34Å; A385-K389 WeakPolarHBondContact O-CB 3.27Å; A385-K389 PolarHBondContact O-N 2.79Å; E386-K389 WeakPolarHBondContact O-CB 3.44Å; E386-K389 PolarHBondContact O-N 2.99Å; T387-K389 VanDerWaalsContact C-N 3.29Å; T387-K389 PolarHBondContact O-N 3.2Å; K389-Y392 PolarHBondContact O-N 3.2Å; K389-E393 WeakPolarHBondContact O-CG 3.43Å; K389-E393 PolarHBondContact O-N 3.23Å
390	S	93.9	Very high	89.5	Confident	82 Å²	82	64.3 Å²	64.3	57%	0.573	34%	0.341	S	S	*	.	H	α-helix	trans	-61	-46.2	178.8	-177	0	0	0	0	111.8	E386 T387 Y392 E393 K394	E386-S390 PolarHBondContact O-N 3.25Å; T387-S390 PolarHBondContact O-N 3.13Å; S390-Y392 PolarHBondContact O-N 3.13Å; S390-E393 PolarHBondContact O-N 3.31Å; S390-K394 WeakPolarHBondContact O-CB 3.5Å; S390-K394 PolarHBondContact O-N 2.83Å
391	L	92	Very high	90.1	Very high	29 Å²	29	63.2 Å²	63.2	15%	0.152	33%	0.332	C	S	.	.	H	α-helix	trans	-63.4	-42.2	176.2	-68.2	174.9	0	0	0	111.9	V354 D361 T387 K394 V395	V354-L391 HydrophobicContact CG2-CB 3.77Å; D361-L391 HydrophobicContact CB-CD1 4.11Å; D361-L391 HydrophobicContact CB-CD2 4.29Å; T387-L391 WeakPolarHBondContact O-CG 3.37Å; T387-L391 PolarHBondContact O-N 3.15Å; L391-K394 PolarHBondContact O-N 2.91Å; L391-V395 WeakPolarHBondContact O-CG2 3.4Å; L391-V395 PolarHBondContact O-N 3.42Å; L391-V395 VanDerWaalsContact O-N 3.08Å
392	Y	93.8	Very high	90.6	Very high	3 Å²	3	59.7 Å²	59.7	1%	0.012	32%	0.316	C	S	.	.	H	α-helix	trans	-59.1	-51.8	176.5	169.4	-104.3	0	0	0	112.3	H265 G310 T311 T351 V354 L355 A388 K389 S390 K394 V395 K396 E401	H265-Y392 AromaticContact NE2-CD1 3.92Å; G310-Y392 VanDerWaalsContact C-OH 3.24Å; G310-Y392 WeakPolarHBondContact CA-OH 3.47Å; T311-Y392 PolarHBondContact N-OH 3.15Å; T351-Y392 HydrophobicContact CG2-CD2 4.09Å; T351-Y392 HydrophobicContact CG2-CE2 3.66Å; V354-Y392 HydrophobicContact CG1-CD2 4.34Å; L355-Y392 HydrophobicContact CD2-CD2 3.64Å; L355-Y392 HydrophobicContact CD2-CE2 3.97Å; L355-Y392 HydrophobicContact CD2-CG 4.47Å; L355-Y392 HydrophobicContact CG-CD2 4.36Å; A388-Y392 VanDerWaalsContact O-CB 3.26Å; A388-Y392 WeakPolarHBondContact O-CB 3.36Å; A388-Y392 PolarHBondContact O-N 3.41Å; K389-Y392 PolarHBondContact O-N 3.2Å; S390-Y392 PolarHBondContact O-N 3.13Å; Y392-K394 VanDerWaalsContact C-N 3.29Å; Y392-K394 PolarHBondContact O-N 3.18Å; Y392-V395 PolarHBondContact O-N 2.88Å; Y392-K396 HydrophobicContact CE1-CD 3.79Å; Y392-K396 HydrophobicContact CE2-CD 4.38Å; Y392-K396 VanDerWaalsContact O-CB 3.28Å; Y392-K396 WeakPolarHBondContact O-CB 3.26Å; Y392-K396 PolarHBondContact O-N 3.42Å; Y392-K396 WeakPolarHBondContact OH-CD 3.44Å; Y392-E401 VanDerWaalsContact CE2-OE1 3.27Å; Y392-E401 WeakPolarHBondContact CE2-OE1 3.39Å; Y392-E401 WeakPolarHBondContact OH-CG 3.34Å; Y392-E401 PolarHBondContact OH-OE1 2.87Å; Y392-E401 PolarHBondContact OH-OE2 3.33Å
393	E	93	Very high	91.1	Very high	80 Å²	80	54.7 Å²	54.7	37%	0.374	29%	0.29	S	S	.	.	H	α-helix	trans	-66.4	-32.9	179.8	-64.8	-62.8	174	0	0	111.6	K389 S390 K396 G397	K389-E393 WeakPolarHBondContact O-CG 3.43Å; K389-E393 PolarHBondContact O-N 3.23Å; S390-E393 PolarHBondContact O-N 3.31Å; E393-K396 IonicContact OE1-NZ 3.18Å; E393-K396 IonicContact OE2-NZ 3.52Å; E393-K396 PolarHBondContact OE2-NZ 3.05Å; E393-K396 VanDerWaalsContact OE2-NZ 3.15Å; E393-G397 PolarHBondContact O-N 2.97Å
394	K	89	Confident	91.5	Very high	159 Å²	159	47.8 Å²	47.8	69%	0.691	26%	0.26	S	S	*	.	H	α-helix	trans	-61.1	-43.7	173.5	-178.2	-178.5	178	-178.1	0	112.6	S390 L391 Y392	S390-K394 WeakPolarHBondContact O-CB 3.5Å; S390-K394 PolarHBondContact O-N 2.83Å; L391-K394 PolarHBondContact O-N 2.91Å; Y392-K394 VanDerWaalsContact C-N 3.29Å; Y392-K394 PolarHBondContact O-N 3.18Å
395	V	89.6	Confident	92	Very high	47 Å²	47	45 Å²	45	29%	0.285	25%	0.245	S	C	.	.	H	α-helix	trans	-76.6	-38.5	-179.2	172.8	0	0	0	0	111.7	V354 L391 Y392 P442	V354-V395 HydrophobicContact CB-CG2 4.19Å; V354-V395 HydrophobicContact CG1-CB 4.13Å; V354-V395 HydrophobicContact CG1-CG1 4.24Å; V354-V395 HydrophobicContact CG1-CG2 4.33Å; V354-V395 HydrophobicContact CG2-CG2 4.29Å; L391-V395 WeakPolarHBondContact O-CG2 3.4Å; L391-V395 PolarHBondContact O-N 3.42Å; L391-V395 VanDerWaalsContact O-N 3.08Å; Y392-V395 PolarHBondContact O-N 2.88Å; V395-P442 WeakPolarHBondContact CG1-O 3.41Å
396	K	90.9	Very high	92.3	Very high	45 Å²	45	44.3 Å²	44.3	20%	0.196	24%	0.239	C	C	.	.	H	α-helix	trans	-66.2	-39	176.7	178.3	177.4	154.1	-142.5	0	111.6	T351 Y392 E393 N399 E401	T351-K396 HydrophobicContact CG2-CB 4.29Å; Y392-K396 HydrophobicContact CE1-CD 3.79Å; Y392-K396 HydrophobicContact CE2-CD 4.38Å; Y392-K396 VanDerWaalsContact O-CB 3.28Å; Y392-K396 WeakPolarHBondContact O-CB 3.26Å; Y392-K396 PolarHBondContact O-N 3.42Å; Y392-K396 WeakPolarHBondContact OH-CD 3.44Å; E393-K396 IonicContact OE1-NZ 3.18Å; E393-K396 IonicContact OE2-NZ 3.52Å; E393-K396 PolarHBondContact OE2-NZ 3.05Å; E393-K396 VanDerWaalsContact OE2-NZ 3.15Å; K396-N399 WeakPolarHBondContact CG-O 3.35Å; K396-N399 PolarHBondContact O-N 2.99Å; K396-E401 HydrophobicContact CD-CG 4.35Å
397	G	86.6	Confident	92.5	Very high	29 Å²	29	38.7 Å²	38.7	30%	0.299	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.7	-149.4	-176.3	0	0	0	0	0	111.9	E393 N399	E393-G397 PolarHBondContact O-N 2.97Å; G397-N399 PolarHBondContact O-N 3.42Å
398	S	84.6	Confident	92.7	Very high	81 Å²	81	37.6 Å²	37.6	57%	0.566	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-16.9	173.5	69.5	0	0	0	0	113.7	D48	D48-S398 WeakPolarHBondContact CB-OG 3.28Å; D48-S398 VanDerWaalsContact CG-CB 3.5Å; D48-S398 VanDerWaalsContact OD1-CB 3.24Å; D48-S398 WeakPolarHBondContact OD1-CB 3.17Å; D48-S398 PolarHBondContact OD1-N 3.2Å; D48-S398 VanDerWaalsContact OD1-N 3.14Å; D48-S398 PolarHBondContact OD1-OG 3.43Å
399	N	85.5	Confident	92.8	Very high	40 Å²	40	39.6 Å²	39.6	21%	0.214	22%	0.216	C	C	.	.	S	Bend	trans	-83.1	147.5	-170.6	-73.7	-78.2	0	0	0	111.7	K396 G397	K396-N399 WeakPolarHBondContact CG-O 3.35Å; K396-N399 PolarHBondContact O-N 2.99Å; G397-N399 PolarHBondContact O-N 3.42Å
400	P	91.7	Very high	92.9	Very high	28 Å²	28	36.4 Å²	36.4	18%	0.182	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-66.3	158.3	170.4	32.7	-39.9	0	0	0	111.1	R402 Q416 I419	P400-R402 PolarHBondContact O-N 3.15Å; P400-Q416 HydrophobicContact CG-CB 4.12Å; P400-Q416 HydrophobicContact CG-CG 3.7Å; P400-I419 HydrophobicContact CB-CD1 3.76Å; P400-I419 HydrophobicContact CB-CG1 3.97Å; P400-I419 HydrophobicContact CG-CD1 3.54Å; P400-I419 HydrophobicContact CG-CG1 4.2Å
401	E	93.9	Very high	93	Very high	3 Å²	3	33.3 Å²	33.3	1%	0.014	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-56.9	128.8	170.9	-64.4	-173.3	120.3	0	0	110.1	G310 T311 T351 Y392 K396 P417	G310-E401 PolarHBondContact N-OE1 3.19Å; G310-E401 PolarHBondContact N-OE2 2.88Å; T311-E401 HydrophobicContact CG2-CG 4.43Å; T311-E401 WeakPolarHBondContact CG2-OE2 3.47Å; T311-E401 PolarHBondContact N-OE2 3.36Å; T311-E401 PolarHBondContact OG1-OE2 2.92Å; T351-E401 HydrophobicContact CG2-CG 4.14Å; T351-E401 PolarHBondContact OG1-OE1 3.23Å; Y392-E401 VanDerWaalsContact CE2-OE1 3.27Å; Y392-E401 WeakPolarHBondContact CE2-OE1 3.39Å; Y392-E401 WeakPolarHBondContact OH-CG 3.34Å; Y392-E401 PolarHBondContact OH-OE1 2.87Å; Y392-E401 PolarHBondContact OH-OE2 3.33Å; K396-E401 HydrophobicContact CD-CG 4.35Å; E401-P417 WeakPolarHBondContact O-CD 3.19Å
402	R	95.4	Very high	93.2	Very high	9 Å²	9	32 Å²	32	3%	0.034	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-99	147.1	175.7	-63.7	-178.8	-66.1	-87.5	2.8	109.7	L349 S350 P400 L414 W415 Q416 L424 F440 G444 G461 F462	L349-R402 CarbonylContact C-O 3.57Å; L349-R402 WeakPolarHBondContact CA-O 3.36Å; S350-R402 PolarHBondContact N-O 2.82Å; S350-R402 PolarHBondContact OG-N 3.23Å; P400-R402 PolarHBondContact O-N 3.15Å; R402-L414 HydrophobicContact CB-CD1 4.28Å; R402-W415 CarbonylContact C-O 3.58Å; R402-W415 VanDerWaalsContact CA-O 3.32Å; R402-W415 WeakPolarHBondContact CA-O 3.2Å; R402-Q416 HydrophobicContact CG-CG 3.97Å; R402-L424 HydrophobicContact CG-CD1 4.33Å; R402-F440 HydrophobicContact CB-CE1 4.47Å; R402-F440 HydrophobicContact CB-CZ 4.02Å; R402-G444 PolarHBondContact NH2-O 2.88Å; R402-G461 WeakPolarHBondContact CD-O 3.39Å; R402-G461 PolarHBondContact NE-O 2.95Å; R402-F462 VanDerWaalsContact CZ-CE1 3.48Å; R402-F462 VanDerWaalsContact NH1-CD1 3.34Å; R402-F462 VanDerWaalsContact NH2-CZ 3.25Å
403	L	96.9	Very high	93.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	128.2	-178	176.4	78	0	0	0	108.9	Y315 I323 L337 L347 A348 L349 L414 W415 P417	Y315-L403 HydrophobicContact CD1-CD2 4.32Å; Y315-L403 HydrophobicContact CG-CD1 4.29Å; I323-L403 HydrophobicContact CG2-CD2 3.86Å; L337-L403 HydrophobicContact CD1-CD2 4.29Å; L347-L403 HydrophobicContact CD1-CD1 3.92Å; L347-L403 HydrophobicContact CD1-CD2 4.4Å; L347-L403 HydrophobicContact CD2-CD1 3.41Å; L347-L403 VanDerWaalsContact CD2-CD1 3.41Å; L347-L403 HydrophobicContact CG-CD1 3.53Å; L347-L403 HydrophobicContact CG-CG 4.44Å; A348-L403 WeakPolarHBondContact O-CA 3.24Å; L349-L403 HydrophobicContact CD2-CB 4.11Å; L349-L403 HydrophobicContact CD2-CD1 3.47Å; L349-L403 VanDerWaalsContact CD2-CD1 3.47Å; L349-L403 HydrophobicContact CD2-CG 4.43Å; L349-L403 HydrophobicContact CG-CD1 4.31Å; L403-L414 CarbonylContact O-C 3.57Å; L403-L414 WeakPolarHBondContact O-CA 3.46Å; L403-W415 HydrophobicContact CB-CB 4.31Å; L403-W415 PolarHBondContact N-O 2.91Å; L403-W415 PolarHBondContact O-N 3.05Å; L403-P417 HydrophobicContact CB-CG 3.68Å; L403-P417 HydrophobicContact CD2-CB 4.38Å; L403-P417 HydrophobicContact CD2-CG 4.05Å; L403-P417 HydrophobicContact CG-CG 4.46Å
404	V	97.3	Very high	93.5	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	143.8	170.9	70.4	0	0	0	0	109.4	L347 A348 L412 S413 L414 V438 F440 L447	L347-V404 WeakPolarHBondContact CA-O 3.39Å; A348-V404 HydrophobicContact CB-CG1 3.85Å; A348-V404 PolarHBondContact N-O 2.94Å; A348-V404 PolarHBondContact O-N 2.55Å; V404-L412 HydrophobicContact CG2-CB 4.31Å; V404-L412 HydrophobicContact CG2-CD2 4.01Å; V404-S413 VanDerWaalsContact CA-O 3.31Å; V404-S413 WeakPolarHBondContact CA-O 3.47Å; V404-L414 HydrophobicContact CB-CD1 4.33Å; V404-V438 HydrophobicContact CB-CG2 4.44Å; V404-V438 HydrophobicContact CG1-CB 4.32Å; V404-V438 HydrophobicContact CG1-CG1 3.77Å; V404-V438 HydrophobicContact CG1-CG2 3.56Å; V404-V438 HydrophobicContact CG2-CG2 3.99Å; V404-F440 HydrophobicContact CB-CE2 3.83Å; V404-F440 HydrophobicContact CB-CZ 4.15Å; V404-F440 HydrophobicContact CG1-CD2 3.98Å; V404-F440 HydrophobicContact CG1-CE2 3.5Å; V404-F440 HydrophobicContact CG1-CZ 4.24Å; V404-L447 HydrophobicContact CB-CD1 4.32Å; V404-L447 HydrophobicContact CB-CD2 4.07Å; V404-L447 HydrophobicContact CG1-CD2 3.66Å; V404-L447 HydrophobicContact CG2-CD1 4.06Å; V404-L447 HydrophobicContact CG2-CD2 4.34Å
405	A	96.8	Very high	93.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	141.7	173.6	0	0	0	0	0	110.8	I323 V344 C346 L412 S413	I323-A405 HydrophobicContact CD1-CB 3.27Å; I323-A405 HydrophobicContact CG1-CB 4.16Å; V344-A405 HydrophobicContact CG1-CB 3.8Å; C346-A405 WeakPolarHBondContact O-CA 3.42Å; A405-L412 CarbonylContact O-C 3.59Å; A405-L412 WeakPolarHBondContact O-CA 3.32Å; A405-L412 WeakPolarHBondContact O-CB 3.48Å; A405-S413 PolarHBondContact N-O 2.89Å; A405-S413 PolarHBondContact O-N 3.39Å
406	G	96.5	Very high	94	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	141.8	174.4	0	0	0	0	0	111.2	N345 C346	N345-G406 PolarHBondContact N-O 2.85Å; C346-G406 PolarHBondContact N-O 2.87Å; C346-G406 PolarHBondContact O-N 2.81Å; C346-G406 VanDerWaalsContact SG-CA 3.57Å
407	S	96.8	Very high	93.9	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	162.2	-174.8	179.7	0	0	0	0	112.8	H340 H342 W343 D409 N410 T411 V435	H340-S407 WeakPolarHBondContact ND1-CB 3.49Å; H342-S407 PolarHBondContact O-OG 3.13Å; W343-S407 WeakPolarHBondContact O-CA 3.46Å; W343-S407 VanDerWaalsContact O-CB 3.3Å; W343-S407 WeakPolarHBondContact O-CB 3.47Å; W343-S407 PolarHBondContact O-OG 2.8Å; S407-D409 VanDerWaalsContact CB-OD1 3.26Å; S407-D409 WeakPolarHBondContact CB-OD1 3.26Å; S407-D409 PolarHBondContact O-N 2.89Å; S407-D409 PolarHBondContact OG-N 3.47Å; S407-D409 PolarHBondContact OG-OD1 3.46Å; S407-N410 PolarHBondContact O-N 2.86Å; S407-T411 PolarHBondContact N-O 3.3Å; S407-T411 VanDerWaalsContact N-O 3.14Å; S407-V435 PolarHBondContact O-N 3.12Å
408	D	95.8	Very high	93.9	Very high	33 Å²	33	19.1 Å²	19.1	18%	0.176	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-17.9	168.6	-82.5	-12.7	0	0	0	114.1	H342 W343 N345 N410 V434	H342-D408 HydrophobicContact CB-CB 3.73Å; H342-D408 IonicContact CE1-OD2 3.42Å; H342-D408 PolarHBondContact CE1-OD2 3.35Å; H342-D408 WeakPolarHBondContact ND1-CB 3.27Å; H342-D408 IonicContact ND1-OD2 3.16Å; H342-D408 PolarHBondContact ND1-OD2 2.7Å; W343-D408 WeakPolarHBondContact CB-OD2 3.46Å; W343-D408 PolarHBondContact O-N 3.42Å; N345-D408 PolarHBondContact ND2-OD1 3.45Å; D408-N410 PolarHBondContact O-N 3Å; D408-N410 PolarHBondContact O-OD1 2.83Å; D408-V434 HydrophobicContact CB-CG2 4.38Å; D408-V434 WeakPolarHBondContact OD1-CG1 3.46Å
409	D	94.9	Very high	94.2	Very high	46 Å²	46	20.8 Å²	20.8	25%	0.246	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	12.8	175.8	66.1	10.3	0	0	0	113.4	H340 G341 H342 S407 T411	H340-D409 IonicContact ND1-OD1 2.75Å; H340-D409 IonicContact ND1-OD2 3.08Å; G341-D409 PolarHBondContact N-OD2 2.91Å; H342-D409 HydrophobicContact CB-CB 3.9Å; S407-D409 VanDerWaalsContact CB-OD1 3.26Å; S407-D409 WeakPolarHBondContact CB-OD1 3.26Å; S407-D409 PolarHBondContact O-N 2.89Å; S407-D409 PolarHBondContact OG-N 3.47Å; S407-D409 PolarHBondContact OG-OD1 3.46Å; D409-T411 VanDerWaalsContact CG-OG1 3.24Å; D409-T411 PolarHBondContact O-N 2.96Å; D409-T411 VanDerWaalsContact OD1-CB 3.31Å; D409-T411 WeakPolarHBondContact OD1-CB 3.47Å; D409-T411 PolarHBondContact OD1-N 2.79Å; D409-T411 PolarHBondContact OD1-OG1 3.11Å; D409-T411 PolarHBondContact OD2-OG1 3.37Å
410	N	95.8	Very high	94.3	Very high	50 Å²	50	22.3 Å²	22.3	27%	0.267	13%	0.129	S	C	.	.	S	Bend	trans	64.8	12.6	-177.9	-46.1	-19.9	0	0	0	114	S407 D408 H431 Q432 G433 V434	S407-N410 PolarHBondContact O-N 2.86Å; D408-N410 PolarHBondContact O-N 3Å; D408-N410 PolarHBondContact O-OD1 2.83Å; N410-H431 HydrophobicContact CB-CB 4.45Å; N410-Q432 VanDerWaalsContact ND2-C 3.27Å; N410-Q432 PolarHBondContact ND2-O 2.82Å; N410-G433 WeakPolarHBondContact CB-O 3.35Å; N410-G433 PolarHBondContact ND2-N 2.85Å; N410-G433 VanDerWaalsContact OD1-CA 3.22Å; N410-G433 WeakPolarHBondContact OD1-CA 3.12Å; N410-G433 PolarHBondContact OD1-O 2.99Å; N410-G433 VanDerWaalsContact OD1-O 3.09Å; N410-V434 PolarHBondContact OD1-N 3.21Å; N410-V434 VanDerWaalsContact OD1-N 3.1Å
411	T	95.8	Very high	94.2	Very high	18 Å²	18	26.4 Å²	26.4	11%	0.11	14%	0.144	C	C	.	.			trans	-107.2	153.2	179.4	74.3	0	0	0	0	112	H340 S407 D409 R427	H340-T411 PolarHBondContact ND1-OG1 3.35Å; S407-T411 PolarHBondContact N-O 3.3Å; S407-T411 VanDerWaalsContact N-O 3.14Å; D409-T411 VanDerWaalsContact CG-OG1 3.24Å; D409-T411 PolarHBondContact O-N 2.96Å; D409-T411 VanDerWaalsContact OD1-CB 3.31Å; D409-T411 WeakPolarHBondContact OD1-CB 3.47Å; D409-T411 PolarHBondContact OD1-N 2.79Å; D409-T411 PolarHBondContact OD1-OG1 3.11Å; D409-T411 PolarHBondContact OD2-OG1 3.37Å; T411-R427 HydrophobicContact CG2-CG 3.8Å
412	L	96.9	Very high	94.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	158.6	160.6	-53.4	94.8	0	0	0	110.8	V404 A405 M428 V435 V438 W459	V404-L412 HydrophobicContact CG2-CB 4.31Å; V404-L412 HydrophobicContact CG2-CD2 4.01Å; A405-L412 CarbonylContact O-C 3.59Å; A405-L412 WeakPolarHBondContact O-CA 3.32Å; A405-L412 WeakPolarHBondContact O-CB 3.48Å; L412-M428 HydrophobicContact CB-CB 3.93Å; L412-M428 HydrophobicContact CB-SD 4.1Å; L412-M428 PolarHBondContact N-O 3.45Å; L412-M428 WeakPolarHBondContact O-CB 3.34Å; L412-M428 PolarHBondContact O-N 3.2Å; L412-V435 HydrophobicContact CD1-CG2 4Å; L412-V435 HydrophobicContact CD2-CG1 4.1Å; L412-V435 HydrophobicContact CG-CG1 4.25Å; L412-V435 HydrophobicContact CG-CG2 4.23Å; L412-V438 HydrophobicContact CD2-CB 4.08Å; L412-V438 HydrophobicContact CD2-CG2 3.61Å; L412-W459 HydrophobicContact CD1-CH2 4.31Å; L412-W459 HydrophobicContact CD1-CZ2 3.7Å
413	S	96.1	Very high	94	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	141.2	173.6	60.5	0	0	0	0	110.3	H340 V404 A405 W415	H340-S413 PolarHBondContact NE2-OG 3.44Å; V404-S413 VanDerWaalsContact CA-O 3.31Å; V404-S413 WeakPolarHBondContact CA-O 3.47Å; A405-S413 PolarHBondContact N-O 2.89Å; A405-S413 PolarHBondContact O-N 3.39Å; S413-W415 VanDerWaalsContact CB-NE1 3.29Å; S413-W415 PolarHBondContact OG-NE1 2.85Å
414	L	96.5	Very high	93.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	133	-179.9	-176.5	66.4	0	0	0	110.3	R402 L403 V404 P423 L424 A425 M428 F440 L447 F462	R402-L414 HydrophobicContact CB-CD1 4.28Å; L403-L414 CarbonylContact O-C 3.57Å; L403-L414 WeakPolarHBondContact O-CA 3.46Å; V404-L414 HydrophobicContact CB-CD1 4.33Å; L414-P423 CarbonylContact O-C 3.55Å; L414-P423 WeakPolarHBondContact O-CA 3.22Å; L414-P423 WeakPolarHBondContact O-CB 3.3Å; L414-L424 HydrophobicContact CD2-CB 4.21Å; L414-L424 HydrophobicContact CD2-CD1 4.13Å; L414-L424 HydrophobicContact CG-CB 4.19Å; L414-L424 HydrophobicContact CG-CD1 4.18Å; L414-L424 PolarHBondContact O-N 3.21Å; L414-A425 HydrophobicContact CB-CB 3.92Å; L414-A425 PolarHBondContact N-O 3.31Å; L414-A425 VanDerWaalsContact N-O 3.1Å; L414-A425 PolarHBondContact O-N 2.71Å; L414-M428 HydrophobicContact CB-SD 3.98Å; L414-F440 HydrophobicContact CD1-CE1 4.48Å; L414-F440 HydrophobicContact CD1-CZ 3.81Å; L414-L447 HydrophobicContact CD1-CD1 4.41Å; L414-F462 WeakPolarHBondContact CD2-O 3.37Å
415	W	95.3	Very high	93.4	Very high	5 Å²	5	38.9 Å²	38.9	2%	0.019	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	156.6	-172.2	-49.7	83.4	0	0	0	111.6	L337 L339 R402 L403 S413 P417 K421 P423	L337-W415 HydrophobicContact CB-CD2 4.36Å; L337-W415 HydrophobicContact CB-CE3 4.22Å; L337-W415 HydrophobicContact CB-CH2 3.88Å; L337-W415 HydrophobicContact CB-CZ2 4.03Å; L337-W415 HydrophobicContact CB-CZ3 3.99Å; L337-W415 HydrophobicContact CD1-CB 4.31Å; L337-W415 HydrophobicContact CD1-CD2 3.8Å; L337-W415 HydrophobicContact CD1-CE3 3.95Å; L337-W415 HydrophobicContact CD1-CG 3.96Å; L337-W415 HydrophobicContact CD2-CE3 3.81Å; L337-W415 HydrophobicContact CD2-CZ3 3.88Å; L337-W415 HydrophobicContact CG-CD2 4.44Å; L337-W415 HydrophobicContact CG-CE3 4.2Å; L337-W415 HydrophobicContact CG-CZ3 4.35Å; L339-W415 HydrophobicContact CB-CH2 3.7Å; L339-W415 HydrophobicContact CB-CZ2 3.61Å; L339-W415 HydrophobicContact CD2-CH2 3.63Å; L339-W415 HydrophobicContact CD2-CZ2 3.46Å; L339-W415 VanDerWaalsContact CD2-CZ2 3.46Å; L339-W415 HydrophobicContact CG-CH2 4.29Å; L339-W415 HydrophobicContact CG-CZ2 4.22Å; R402-W415 CarbonylContact C-O 3.58Å; R402-W415 VanDerWaalsContact CA-O 3.32Å; R402-W415 WeakPolarHBondContact CA-O 3.2Å; L403-W415 HydrophobicContact CB-CB 4.31Å; L403-W415 PolarHBondContact N-O 2.91Å; L403-W415 PolarHBondContact O-N 3.05Å; S413-W415 VanDerWaalsContact CB-NE1 3.29Å; S413-W415 PolarHBondContact OG-NE1 2.85Å; W415-P417 WeakPolarHBondContact O-CD 3.14Å; W415-K421 WeakPolarHBondContact CZ3-O 3.48Å; W415-P423 HydrophobicContact CD2-CB 3.87Å; W415-P423 HydrophobicContact CE3-CB 3.56Å; W415-P423 HydrophobicContact CE3-CG 4.33Å; W415-P423 HydrophobicContact CH2-CB 3.9Å; W415-P423 HydrophobicContact CH2-CG 4.11Å; W415-P423 HydrophobicContact CZ2-CB 4.17Å; W415-P423 HydrophobicContact CZ3-CB 3.57Å; W415-P423 VanDerWaalsContact CZ3-CD 3.46Å; W415-P423 HydrophobicContact CZ3-CG 3.87Å
416	Q	93.9	Very high	92.9	Very high	39 Å²	39	42.3 Å²	42.3	18%	0.182	23%	0.23	C	C	.	.			trans	-114.1	82.9	163.9	-79.5	176.7	-12	0	0	109.4	P400 R402 G418 I419 D420 L424	P400-Q416 HydrophobicContact CG-CB 4.12Å; P400-Q416 HydrophobicContact CG-CG 3.7Å; R402-Q416 HydrophobicContact CG-CG 3.97Å; Q416-G418 PolarHBondContact O-N 3.26Å; Q416-G418 VanDerWaalsContact O-N 3.16Å; Q416-I419 PolarHBondContact O-N 3Å; Q416-I419 VanDerWaalsContact O-N 3.13Å; Q416-D420 PolarHBondContact O-N 3.36Å; Q416-L424 HydrophobicContact CG-CD1 3.53Å; Q416-L424 HydrophobicContact CG-CD2 4.22Å; Q416-L424 HydrophobicContact CG-CG 3.87Å
417	P	89.2	Confident	92.4	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.006	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-7.5	-165.7	32.6	-41	0	0	0	115.7	Y315 V325 R335 E401 L403 W415	Y315-P417 HydrophobicContact CD1-CB 4.11Å; Y315-P417 HydrophobicContact CD1-CG 3.93Å; Y315-P417 HydrophobicContact CE1-CB 3.59Å; Y315-P417 HydrophobicContact CE1-CG 3.29Å; V325-P417 HydrophobicContact CG2-CB 3.91Å; R335-P417 PolarHBondContact NE-O 3.06Å; R335-P417 PolarHBondContact NH1-O 3.28Å; R335-P417 PolarHBondContact NH2-O 3.43Å; E401-P417 WeakPolarHBondContact O-CD 3.19Å; L403-P417 HydrophobicContact CB-CG 3.68Å; L403-P417 HydrophobicContact CD2-CB 4.38Å; L403-P417 HydrophobicContact CD2-CG 4.05Å; L403-P417 HydrophobicContact CG-CG 4.46Å; W415-P417 WeakPolarHBondContact O-CD 3.14Å
418	G	87	Confident	92.3	Very high	48 Å²	48	50.5 Å²	50.5	50%	0.495	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-27.7	169.9	0	0	0	0	0	113.4	Q416	Q416-G418 PolarHBondContact O-N 3.26Å; Q416-G418 VanDerWaalsContact O-N 3.16Å
419	I	89.5	Confident	92.1	Very high	117 Å²	117	53.2 Å²	53.2	60%	0.6	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.4	-65.8	-168.8	-55	-174.2	0	0	0	111.4	P400 Q416	P400-I419 HydrophobicContact CB-CD1 3.76Å; P400-I419 HydrophobicContact CB-CG1 3.97Å; P400-I419 HydrophobicContact CG-CD1 3.54Å; P400-I419 HydrophobicContact CG-CG1 4.2Å; Q416-I419 PolarHBondContact O-N 3Å; Q416-I419 VanDerWaalsContact O-N 3.13Å
420	D	88.1	Confident	91.9	Very high	71 Å²	71	52.7 Å²	52.7	38%	0.38	28%	0.284	S	S	.	.			trans	-135.5	148.5	-169.6	-164.9	3.1	0	0	0	112.5	R335 Q416 K422	R335-D420 PolarHBondContact NH1-O 2.94Å; Q416-D420 PolarHBondContact O-N 3.36Å; D420-K422 PolarHBondContact O-N 2.7Å; D420-K422 PolarHBondContact OD1-N 3.37Å; D420-K422 VanDerWaalsContact OD2-CD 3.31Å; D420-K422 WeakPolarHBondContact OD2-CD 3.43Å; D420-K422 WeakPolarHBondContact OD2-CG 3.38Å
421	K	90.8	Very high	91.9	Very high	115 Å²	115	50.9 Å²	50.9	50%	0.5	27%	0.274	S	S	.	.	S	Bend	trans	-69.2	-11.3	173.5	-62.4	-175.7	-176.9	176.1	0	112	R335 L337 W415	R335-K421 HydrophobicContact CB-CD 4.37Å; R335-K421 HydrophobicContact CB-CG 4.02Å; R335-K421 HydrophobicContact CG-CG 4.03Å; L337-K421 HydrophobicContact CD2-CB 4.2Å; W415-K421 WeakPolarHBondContact CZ3-O 3.48Å
422	K	92.5	Very high	91.9	Very high	151 Å²	151	58.2 Å²	58.2	66%	0.657	31%	0.307	S	S	*	.	S	Bend	trans	-74.9	134.7	175.6	-65.4	-179.4	-171.6	170	0	110.6	D420	D420-K422 PolarHBondContact O-N 2.7Å; D420-K422 PolarHBondContact OD1-N 3.37Å; D420-K422 VanDerWaalsContact OD2-CD 3.31Å; D420-K422 WeakPolarHBondContact OD2-CD 3.43Å; D420-K422 WeakPolarHBondContact OD2-CG 3.38Å
423	P	92.4	Very high	91.8	Very high	38 Å²	38	58.7 Å²	58.7	25%	0.247	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	145.8	173.4	30	-31.9	0	0	0	109.8	L339 L414 W415 P426	L339-P423 HydrophobicContact CD2-CB 4.16Å; L339-P423 HydrophobicContact CD2-CG 3.99Å; L414-P423 CarbonylContact O-C 3.55Å; L414-P423 WeakPolarHBondContact O-CA 3.22Å; L414-P423 WeakPolarHBondContact O-CB 3.3Å; W415-P423 HydrophobicContact CD2-CB 3.87Å; W415-P423 HydrophobicContact CE3-CB 3.56Å; W415-P423 HydrophobicContact CE3-CG 4.33Å; W415-P423 HydrophobicContact CH2-CB 3.9Å; W415-P423 HydrophobicContact CH2-CG 4.11Å; W415-P423 HydrophobicContact CZ2-CB 4.17Å; W415-P423 HydrophobicContact CZ3-CB 3.57Å; W415-P423 VanDerWaalsContact CZ3-CD 3.46Å; W415-P423 HydrophobicContact CZ3-CG 3.87Å; P423-P426 HydrophobicContact CB-CB 4.38Å; P423-P426 HydrophobicContact CG-CB 3.68Å
424	L	91.3	Very high	91.9	Very high	73 Å²	73	60.2 Å²	60.2	38%	0.382	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	-45.7	166.2	-73	179.3	0	0	0	110.3	R402 L414 Q416	R402-L424 HydrophobicContact CG-CD1 4.33Å; L414-L424 HydrophobicContact CD2-CB 4.21Å; L414-L424 HydrophobicContact CD2-CD1 4.13Å; L414-L424 HydrophobicContact CG-CB 4.19Å; L414-L424 HydrophobicContact CG-CD1 4.18Å; L414-L424 PolarHBondContact O-N 3.21Å; Q416-L424 HydrophobicContact CG-CD1 3.53Å; Q416-L424 HydrophobicContact CG-CD2 4.22Å; Q416-L424 HydrophobicContact CG-CG 3.87Å
425	A	90.5	Very high	91.9	Very high	11 Å²	11	60.2 Å²	60.2	9%	0.091	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	104.5	175.3	0	0	0	0	0	108.4	L414 R427 M428 T463	L414-A425 HydrophobicContact CB-CB 3.92Å; L414-A425 PolarHBondContact N-O 3.31Å; L414-A425 VanDerWaalsContact N-O 3.1Å; L414-A425 PolarHBondContact O-N 2.71Å; A425-R427 VanDerWaalsContact C-N 3.3Å; A425-R427 PolarHBondContact O-N 3.2Å; A425-M428 HydrophobicContact CB-CG 4.05Å; A425-T463 WeakPolarHBondContact CB-O 3.27Å
426	P	84.8	Confident	92	Very high	72 Å²	72	62.5 Å²	62.5	47%	0.468	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	-29.6	-173.5	23.4	-32.3	0	0	0	113.1	L339 P423	L339-P426 HydrophobicContact CD2-CB 4.03Å; L339-P426 WeakPolarHBondContact CD2-O 3.45Å; P423-P426 HydrophobicContact CB-CB 4.38Å; P423-P426 HydrophobicContact CG-CB 3.68Å
427	R	86.6	Confident	92.1	Very high	169 Å²	169	61.1 Å²	61.1	64%	0.638	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.5	101.7	-179.3	-157.9	179.8	-76.4	175.7	-4.3	111.1	T411 A425 T429	T411-R427 HydrophobicContact CG2-CG 3.8Å; A425-R427 VanDerWaalsContact C-N 3.3Å; A425-R427 PolarHBondContact O-N 3.2Å; R427-T429 HydrophobicContact CB-CG2 4.35Å; R427-T429 HydrophobicContact CG-CG2 3.55Å; R427-T429 PolarHBondContact O-N 3.12Å
428	M	94.2	Very high	92.5	Very high	4 Å²	4	61.1 Å²	61.1	2%	0.02	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	92	170.8	-61.3	172.4	62.5	0	0	107.8	L412 L414 A425 L447 W459	L412-M428 HydrophobicContact CB-CB 3.93Å; L412-M428 HydrophobicContact CB-SD 4.1Å; L412-M428 PolarHBondContact N-O 3.45Å; L412-M428 WeakPolarHBondContact O-CB 3.34Å; L412-M428 PolarHBondContact O-N 3.2Å; L414-M428 HydrophobicContact CB-SD 3.98Å; A425-M428 HydrophobicContact CB-CG 4.05Å; M428-L447 HydrophobicContact CE-CD1 3.93Å; M428-W459 HydrophobicContact CB-CE3 3.98Å; M428-W459 HydrophobicContact CB-CH2 4.35Å; M428-W459 HydrophobicContact CB-CZ3 3.81Å; M428-W459 HydrophobicContact CE-CB 3.42Å; M428-W459 VanDerWaalsContact CE-CB 3.42Å; M428-W459 HydrophobicContact CE-CD2 3.44Å; M428-W459 VanDerWaalsContact CE-CD2 3.44Å; M428-W459 HydrophobicContact CE-CE3 3.55Å; M428-W459 HydrophobicContact CE-CG 3.38Å; M428-W459 HydrophobicContact CE-CZ3 4.46Å
429	T	92.6	Very high	93.1	Very high	90 Å²	90	61.4 Å²	61.4	55%	0.552	32%	0.316	S	S	*	.			trans	-92.2	141.7	-178.8	56.7	0	0	0	0	111.4	R427	R427-T429 HydrophobicContact CB-CG2 4.35Å; R427-T429 HydrophobicContact CG-CG2 3.55Å; R427-T429 PolarHBondContact O-N 3.12Å
430	G	90.4	Very high	93.4	Very high	34 Å²	34	56.5 Å²	56.5	35%	0.351	29%	0.29	S	S	.	.			trans	164.7	-26.9	172.9	0	0	0	0	0	113.2	K457	G430-K457 WeakPolarHBondContact O-CE 3.06Å; G430-K457 PolarHBondContact O-NZ 3.08Å
431	H	95.3	Very high	93.8	Very high	13 Å²	13	53.1 Å²	53.1	6%	0.06	27%	0.272	C	S	.	.			trans	-74	147.4	171.4	-78.6	-63.2	0	0	0	112.1	N410 V435 S449 S451 D453 K457 W459	N410-H431 HydrophobicContact CB-CB 4.45Å; H431-V435 HydrophobicContact CB-CG2 4.33Å; H431-S449 PolarHBondContact NE2-OG 2.9Å; H431-S451 WeakPolarHBondContact CE1-CB 3.33Å; H431-S451 WeakPolarHBondContact ND1-CB 3.33Å; H431-S451 PolarHBondContact ND1-OG 3.35Å; H431-D453 WeakPolarHBondContact CA-OD2 3.37Å; H431-D453 WeakPolarHBondContact CB-OD2 3.48Å; H431-D453 IonicContact CE1-OD1 3.7Å; H431-D453 IonicContact CE1-OD2 3.69Å; H431-D453 IonicContact CG-OD2 2.69Å; H431-D453 IonicContact ND1-OD1 3.09Å; H431-D453 PolarHBondContact ND1-OD1 3.01Å; H431-D453 IonicContact ND1-OD2 3.58Å; H431-D453 PolarHBondContact ND1-OD2 2.91Å; H431-K457 VanDerWaalsContact CE1-CD 3.47Å; H431-K457 WeakPolarHBondContact CE1-CD 3.32Å; H431-K457 VanDerWaalsContact CE1-CG 3.48Å; H431-K457 WeakPolarHBondContact CE1-CG 2.92Å; H431-K457 VanDerWaalsContact ND1-CE 3.3Å; H431-K457 WeakPolarHBondContact ND1-CE 3.31Å; H431-W459 AromaticContact CD2-CZ2 3.89Å
432	Q	95.4	Very high	93.9	Very high	171 Å²	171	48.2 Å²	48.2	80%	0.799	25%	0.252	S	S	*	.	S	Bend	trans	-109.1	3.7	177.5	-64.3	-176.3	-20.3	0	0	112.5	N410 D453	N410-Q432 VanDerWaalsContact ND2-C 3.27Å; N410-Q432 PolarHBondContact ND2-O 2.82Å; Q432-D453 HydrophobicContact CB-CB 4.02Å; Q432-D453 PolarHBondContact N-OD2 3.1Å
433	G	96.1	Very high	93.7	Very high	11 Å²	11	43.7 Å²	43.7	11%	0.113	24%	0.235	C	C	.	.	S	Bend	trans	-148.7	173.5	179.2	0	0	0	0	0	111.4	N410 V435 S451	N410-G433 WeakPolarHBondContact CB-O 3.35Å; N410-G433 PolarHBondContact ND2-N 2.85Å; N410-G433 VanDerWaalsContact OD1-CA 3.22Å; N410-G433 WeakPolarHBondContact OD1-CA 3.12Å; N410-G433 PolarHBondContact OD1-O 2.99Å; N410-G433 VanDerWaalsContact OD1-O 3.09Å; G433-V435 PolarHBondContact O-N 2.83Å; G433-S451 PolarHBondContact O-OG 2.9Å
434	V	96.8	Very high	93.6	Very high	32 Å²	32	42 Å²	42	19%	0.194	22%	0.224	C	C	.	.			trans	-52.8	132.9	-175.8	172.3	0	0	0	0	110.7	N345 D408 N410 N436 S451 F452	N345-V434 WeakPolarHBondContact ND2-CG1 3.4Å; D408-V434 HydrophobicContact CB-CG2 4.38Å; D408-V434 WeakPolarHBondContact OD1-CG1 3.46Å; N410-V434 PolarHBondContact OD1-N 3.21Å; N410-V434 VanDerWaalsContact OD1-N 3.1Å; V434-N436 PolarHBondContact O-N 3.02Å; V434-S451 CarbonylContact O-C 3.52Å; V434-S451 WeakPolarHBondContact O-CA 3.12Å; V434-S451 WeakPolarHBondContact O-CB 3.43Å; V434-S451 PolarHBondContact O-OG 3.15Å; V434-S451 VanDerWaalsContact O-OG 3.05Å; V434-F452 HydrophobicContact CB-CB 4.44Å; V434-F452 HydrophobicContact CB-CD2 3.74Å; V434-F452 HydrophobicContact CB-CE2 4.21Å; V434-F452 HydrophobicContact CB-CG 4.18Å; V434-F452 HydrophobicContact CG1-CD2 4.29Å; V434-F452 HydrophobicContact CG1-CE2 4.27Å; V434-F452 HydrophobicContact CG2-CD2 4.26Å; V434-F452 PolarHBondContact O-N 3.36Å
435	V	97.3	Very high	93.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	110.5	171.4	-176.2	0	0	0	0	108.2	S407 L412 H431 G433	S407-V435 PolarHBondContact O-N 3.12Å; L412-V435 HydrophobicContact CD1-CG2 4Å; L412-V435 HydrophobicContact CD2-CG1 4.1Å; L412-V435 HydrophobicContact CG-CG1 4.25Å; L412-V435 HydrophobicContact CG-CG2 4.23Å; H431-V435 HydrophobicContact CB-CG2 4.33Å; G433-V435 PolarHBondContact O-N 2.83Å
436	N	96.7	Very high	93.6	Very high	52 Å²	52	39.6 Å²	39.6	28%	0.278	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-33.3	-174.8	-168.4	69	0	0	0	112.5	V434 A450 F452 Y478	V434-N436 PolarHBondContact O-N 3.02Å; N436-A450 PolarHBondContact N-O 3.04Å; N436-F452 HydrophobicContact CB-CD1 4.13Å; N436-F452 HydrophobicContact CB-CE1 3.47Å; N436-F452 VanDerWaalsContact CB-CE1 3.47Å; N436-F452 HydrophobicContact CB-CZ 3.93Å; N436-Y478 PolarHBondContact ND2-O 2.94Å
437	D	97.5	Very high	94.2	Very high	11 Å²	11	36.2 Å²	36.2	6%	0.059	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	151	177.8	-167.6	28.6	0	0	0	111.5	K439 S449 A450 Y478 L479 V480	D437-K439 WeakPolarHBondContact OD1-CE 3.28Å; D437-K439 IonicContact OD1-NZ 3.25Å; D437-K439 PolarHBondContact OD1-NZ 3.3Å; D437-K439 VanDerWaalsContact OD1-NZ 3.16Å; D437-K439 VanDerWaalsContact OD2-CE 3.24Å; D437-K439 WeakPolarHBondContact OD2-CE 3.22Å; D437-K439 IonicContact OD2-NZ 2.75Å; D437-S449 WeakPolarHBondContact O-CA 3.46Å; D437-A450 HydrophobicContact CB-CB 4.23Å; D437-A450 PolarHBondContact N-O 2.85Å; D437-A450 PolarHBondContact O-N 2.93Å; D437-Y478 WeakPolarHBondContact CB-O 3.39Å; D437-L479 HydrophobicContact CB-CD2 3.94Å; D437-V480 PolarHBondContact OD2-N 2.96Å
438	V	97.6	Very high	94.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	137.9	177.8	65.1	0	0	0	0	109.1	C346 A348 V404 L412 L447 A448	C346-V438 HydrophobicContact CB-CG1 4.19Å; C346-V438 VanDerWaalsContact SG-CG1 3.59Å; A348-V438 HydrophobicContact CB-CG1 4.2Å; A348-V438 VanDerWaalsContact CB-O 3.29Å; A348-V438 WeakPolarHBondContact CB-O 3.47Å; V404-V438 HydrophobicContact CB-CG2 4.44Å; V404-V438 HydrophobicContact CG1-CB 4.32Å; V404-V438 HydrophobicContact CG1-CG1 3.77Å; V404-V438 HydrophobicContact CG1-CG2 3.56Å; V404-V438 HydrophobicContact CG2-CG2 3.99Å; L412-V438 HydrophobicContact CD2-CB 4.08Å; L412-V438 HydrophobicContact CD2-CG2 3.61Å; V438-L447 HydrophobicContact CG2-CD2 4.3Å; V438-A448 WeakPolarHBondContact CA-O 3.45Å
439	K	97.8	Very high	94.9	Very high	55 Å²	55	28 Å²	28	24%	0.239	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	138.9	178.1	-57.1	-67.3	172.4	-157.7	0	110.9	D437 L447 A448 V480 W482	D437-K439 WeakPolarHBondContact OD1-CE 3.28Å; D437-K439 IonicContact OD1-NZ 3.25Å; D437-K439 PolarHBondContact OD1-NZ 3.3Å; D437-K439 VanDerWaalsContact OD1-NZ 3.16Å; D437-K439 VanDerWaalsContact OD2-CE 3.24Å; D437-K439 WeakPolarHBondContact OD2-CE 3.22Å; D437-K439 IonicContact OD2-NZ 2.75Å; K439-L447 WeakPolarHBondContact O-CA 3.03Å; K439-A448 PolarHBondContact N-O 3.25Å; K439-A448 PolarHBondContact O-N 2.91Å; K439-V480 HydrophobicContact CG-CG2 4.14Å; K439-W482 PolarHBondContact O-NE1 3.31Å
440	F	97.3	Very high	95.1	Very high	13 Å²	13	23.7 Å²	23.7	6%	0.057	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	147.8	161.6	-77.5	-91.1	0	0	0	110.5	A348 L349 R402 V404 L414 L446 L447 W482	A348-F440 HydrophobicContact CB-CD2 4.29Å; L349-F440 VanDerWaalsContact O-CD2 3.29Å; L349-F440 WeakPolarHBondContact O-CD2 3.27Å; R402-F440 HydrophobicContact CB-CE1 4.47Å; R402-F440 HydrophobicContact CB-CZ 4.02Å; V404-F440 HydrophobicContact CB-CE2 3.83Å; V404-F440 HydrophobicContact CB-CZ 4.15Å; V404-F440 HydrophobicContact CG1-CD2 3.98Å; V404-F440 HydrophobicContact CG1-CE2 3.5Å; V404-F440 HydrophobicContact CG1-CZ 4.24Å; L414-F440 HydrophobicContact CD1-CE1 4.48Å; L414-F440 HydrophobicContact CD1-CZ 3.81Å; F440-L446 CarbonylContact C-O 3.55Å; F440-L446 WeakPolarHBondContact CA-O 3.36Å; F440-L447 HydrophobicContact CB-CD2 4.29Å; F440-L447 HydrophobicContact CD1-CD2 3.41Å; F440-L447 VanDerWaalsContact CD1-CD2 3.41Å; F440-L447 HydrophobicContact CD1-CG 3.88Å; F440-L447 HydrophobicContact CD2-CD2 3.52Å; F440-L447 HydrophobicContact CE1-CD1 4.12Å; F440-L447 HydrophobicContact CE1-CD2 3.48Å; F440-L447 VanDerWaalsContact CE1-CD2 3.48Å; F440-L447 HydrophobicContact CE1-CG 3.76Å; F440-L447 HydrophobicContact CE2-CD2 3.61Å; F440-L447 HydrophobicContact CG-CD2 3.45Å; F440-L447 VanDerWaalsContact CG-CD2 3.45Å; F440-L447 HydrophobicContact CG-CG 4.38Å; F440-L447 HydrophobicContact CZ-CD1 4.25Å; F440-L447 HydrophobicContact CZ-CD2 3.59Å; F440-L447 HydrophobicContact CZ-CG 4.19Å; F440-W482 PolarHBondContact O-NE1 2.99Å
441	S	95.4	Very high	95.5	Very high	1 Å²	1	22 Å²	22	1%	0.007	11%	0.111	C	C	.	.			trans	-61.5	151.8	163.2	57.1	0	0	0	0	110.1	N443 G444 R445 L446	S441-N443 WeakPolarHBondContact CB-OD1 3.44Å; S441-N443 PolarHBondContact O-N 2.63Å; S441-N443 VanDerWaalsContact O-N 3.07Å; S441-N443 PolarHBondContact OG-OD1 2.78Å; S441-G444 WeakPolarHBondContact O-CA 3.43Å; S441-G444 PolarHBondContact O-N 3.38Å; S441-R445 PolarHBondContact OG-N 2.72Å; S441-L446 PolarHBondContact N-O 3.25Å; S441-L446 PolarHBondContact OG-N 3.26Å; S441-L446 PolarHBondContact OG-O 3.39Å
442	P	93.9	Very high	95.6	Very high	11 Å²	11	24.5 Å²	24.5	7%	0.071	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-31.2	179.1	-30.7	32.7	0	0	0	115.4	Y353 V395 G444 W482 S483 S486	Y353-P442 HydrophobicContact CD1-CB 3.65Å; Y353-P442 HydrophobicContact CD1-CG 3.97Å; Y353-P442 HydrophobicContact CD2-CB 4.35Å; Y353-P442 HydrophobicContact CD2-CG 3.81Å; Y353-P442 HydrophobicContact CE1-CB 4.07Å; Y353-P442 HydrophobicContact CE1-CG 4.16Å; Y353-P442 HydrophobicContact CE2-CG 4.01Å; Y353-P442 HydrophobicContact CG-CB 3.82Å; Y353-P442 HydrophobicContact CG-CG 3.79Å; V395-P442 WeakPolarHBondContact CG1-O 3.41Å; P442-G444 VanDerWaalsContact C-N 3.34Å; P442-W482 HydrophobicContact CG-CB 4.39Å; P442-S483 VanDerWaalsContact CG-O 3.27Å; P442-S483 WeakPolarHBondContact CG-O 3.48Å; P442-S486 WeakPolarHBondContact CD-OG 3.44Å
443	N	88.6	Confident	95.6	Very high	56 Å²	56	17.9 Å²	17.9	30%	0.299	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	1.5	175.1	68.8	1.5	0	0	0	114.7	S441 R445 S486	S441-N443 WeakPolarHBondContact CB-OD1 3.44Å; S441-N443 PolarHBondContact O-N 2.63Å; S441-N443 VanDerWaalsContact O-N 3.07Å; S441-N443 PolarHBondContact OG-OD1 2.78Å; N443-R445 PolarHBondContact O-N 2.93Å; N443-R445 VanDerWaalsContact O-N 3.13Å; N443-R445 PolarHBondContact OD1-N 3.24Å; N443-R445 VanDerWaalsContact OD1-N 3.16Å; N443-S486 PolarHBondContact N-OG 3.5Å
444	G	90.5	Very high	95.6	Very high	2 Å²	2	20.6 Å²	20.6	2%	0.021	10%	0.102	C	C	.	.	S	Bend	trans	69.9	2.3	178.2	0	0	0	0	0	116.6	R402 S441 P442	R402-G444 PolarHBondContact NH2-O 2.88Å; S441-G444 WeakPolarHBondContact O-CA 3.43Å; S441-G444 PolarHBondContact O-N 3.38Å; P442-G444 VanDerWaalsContact C-N 3.34Å
445	R	88.4	Confident	95.5	Very high	30 Å²	30	19.1 Å²	19.1	11%	0.113	9%	0.093	C	C	.	.	S	Bend	trans	-82.6	-30.4	-175.9	179.8	56.8	167.8	153.5	-12.1	113.5	S441 N443 D460 G461 F462	S441-R445 PolarHBondContact OG-N 2.72Å; N443-R445 PolarHBondContact O-N 2.93Å; N443-R445 VanDerWaalsContact O-N 3.13Å; N443-R445 PolarHBondContact OD1-N 3.24Å; N443-R445 VanDerWaalsContact OD1-N 3.16Å; R445-D460 IonicContact CZ-OD1 3.07Å; R445-D460 IonicContact NE-OD1 3.49Å; R445-D460 IonicContact NH1-OD1 3.44Å; R445-D460 PolarHBondContact NH1-OD1 2.62Å; R445-D460 IonicContact NH1-OD2 3.36Å; R445-D460 PolarHBondContact NH1-OD2 3.16Å; R445-D460 VanDerWaalsContact NH1-OD2 3.09Å; R445-G461 WeakPolarHBondContact O-CA 3.38Å; R445-G461 PolarHBondContact O-N 3.33Å; R445-F462 HydrophobicContact CB-CE2 4.3Å
446	L	93.3	Very high	95.4	Very high	5 Å²	5	19.2 Å²	19.2	3%	0.026	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	158.2	-176.5	-71	179.5	0	0	0	111.6	F440 S441 I458 W459 L467 W482 V503 R507	F440-L446 CarbonylContact C-O 3.55Å; F440-L446 WeakPolarHBondContact CA-O 3.36Å; S441-L446 PolarHBondContact N-O 3.25Å; S441-L446 PolarHBondContact OG-N 3.26Å; S441-L446 PolarHBondContact OG-O 3.39Å; L446-I458 HydrophobicContact CD1-CG2 4.37Å; L446-I458 HydrophobicContact CD2-CG2 3.99Å; L446-W459 WeakPolarHBondContact CA-O 3.41Å; L446-W459 WeakPolarHBondContact CD2-O 3.28Å; L446-L467 HydrophobicContact CD2-CD1 3.42Å; L446-L467 VanDerWaalsContact CD2-CD1 3.42Å; L446-W482 HydrophobicContact CB-CH2 3.61Å; L446-W482 HydrophobicContact CB-CZ2 3.95Å; L446-W482 HydrophobicContact CB-CZ3 4.49Å; L446-W482 HydrophobicContact CD1-CH2 3.82Å; L446-W482 HydrophobicContact CD1-CZ3 4.3Å; L446-W482 HydrophobicContact CG-CH2 4.42Å; L446-V503 HydrophobicContact CD1-CG1 3.41Å; L446-V503 VanDerWaalsContact CD1-CG1 3.41Å; L446-R507 VanDerWaalsContact CD1-NH2 3.34Å
447	L	96.3	Very high	95.3	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	136.4	172.5	-75.6	168.9	0	0	0	109.1	V404 L414 M428 V438 K439 F440 I458 W459	V404-L447 HydrophobicContact CB-CD1 4.32Å; V404-L447 HydrophobicContact CB-CD2 4.07Å; V404-L447 HydrophobicContact CG1-CD2 3.66Å; V404-L447 HydrophobicContact CG2-CD1 4.06Å; V404-L447 HydrophobicContact CG2-CD2 4.34Å; L414-L447 HydrophobicContact CD1-CD1 4.41Å; M428-L447 HydrophobicContact CE-CD1 3.93Å; V438-L447 HydrophobicContact CG2-CD2 4.3Å; K439-L447 WeakPolarHBondContact O-CA 3.03Å; F440-L447 HydrophobicContact CB-CD2 4.29Å; F440-L447 HydrophobicContact CD1-CD2 3.41Å; F440-L447 VanDerWaalsContact CD1-CD2 3.41Å; F440-L447 HydrophobicContact CD1-CG 3.88Å; F440-L447 HydrophobicContact CD2-CD2 3.52Å; F440-L447 HydrophobicContact CE1-CD1 4.12Å; F440-L447 HydrophobicContact CE1-CD2 3.48Å; F440-L447 VanDerWaalsContact CE1-CD2 3.48Å; F440-L447 HydrophobicContact CE1-CG 3.76Å; F440-L447 HydrophobicContact CE2-CD2 3.61Å; F440-L447 HydrophobicContact CG-CD2 3.45Å; F440-L447 VanDerWaalsContact CG-CD2 3.45Å; F440-L447 HydrophobicContact CG-CG 4.38Å; F440-L447 HydrophobicContact CZ-CD1 4.25Å; F440-L447 HydrophobicContact CZ-CD2 3.59Å; F440-L447 HydrophobicContact CZ-CG 4.19Å; L447-I458 CarbonylContact O-C 3.58Å; L447-I458 VanDerWaalsContact O-CA 3.26Å; L447-I458 WeakPolarHBondContact O-CA 3.39Å; L447-W459 HydrophobicContact CB-CB 4Å; L447-W459 HydrophobicContact CB-CG 4.38Å; L447-W459 HydrophobicContact CD1-CB 4.46Å; L447-W459 PolarHBondContact N-O 2.96Å; L447-W459 PolarHBondContact O-N 3.22Å
448	A	97.3	Very high	95.2	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132.9	166.5	0	0	0	0	0	108.9	V438 K439 V456 K457 I458 V480 W482 V489	V438-A448 WeakPolarHBondContact CA-O 3.45Å; K439-A448 PolarHBondContact N-O 3.25Å; K439-A448 PolarHBondContact O-N 2.91Å; A448-V456 HydrophobicContact CB-CG1 4.46Å; A448-K457 WeakPolarHBondContact CA-O 3.12Å; A448-I458 HydrophobicContact CB-CD1 3.81Å; A448-V480 HydrophobicContact CB-CG2 4.35Å; A448-W482 HydrophobicContact CB-CZ2 3.58Å; A448-V489 HydrophobicContact CB-CG1 4.25Å; A448-V489 HydrophobicContact CB-CG2 4.31Å
449	S	97.8	Very high	95	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	132	176.8	56.5	0	0	0	0	111.2	H431 D437 V456 K457 W459	H431-S449 PolarHBondContact NE2-OG 2.9Å; D437-S449 WeakPolarHBondContact O-CA 3.46Å; S449-V456 VanDerWaalsContact O-CA 3.28Å; S449-V456 WeakPolarHBondContact O-CA 3.49Å; S449-V456 WeakPolarHBondContact O-CG1 3.44Å; S449-K457 PolarHBondContact N-O 3.11Å; S449-K457 PolarHBondContact O-N 2.71Å; S449-K457 PolarHBondContact OG-O 3.02Å; S449-W459 PolarHBondContact OG-NE1 3.01Å
450	A	97.5	Very high	94.7	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	133.8	174.8	0	0	0	0	0	109.9	N436 D437 V477 V480	N436-A450 PolarHBondContact N-O 3.04Å; D437-A450 HydrophobicContact CB-CB 4.23Å; D437-A450 PolarHBondContact N-O 2.85Å; D437-A450 PolarHBondContact O-N 2.93Å; A450-V477 HydrophobicContact CB-CB 4.17Å; A450-V477 HydrophobicContact CB-CG1 3.76Å; A450-V480 HydrophobicContact CB-CG1 3.91Å; A450-V480 HydrophobicContact CB-CG2 4.26Å
451	S	97.7	Very high	94.4	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	158.6	-178.1	174.6	0	0	0	0	113.2	H431 G433 V434 D453 H454 S455 V477	H431-S451 WeakPolarHBondContact CE1-CB 3.33Å; H431-S451 WeakPolarHBondContact ND1-CB 3.33Å; H431-S451 PolarHBondContact ND1-OG 3.35Å; G433-S451 PolarHBondContact O-OG 2.9Å; V434-S451 CarbonylContact O-C 3.52Å; V434-S451 WeakPolarHBondContact O-CA 3.12Å; V434-S451 WeakPolarHBondContact O-CB 3.43Å; V434-S451 PolarHBondContact O-OG 3.15Å; V434-S451 VanDerWaalsContact O-OG 3.05Å; S451-D453 VanDerWaalsContact CB-OD1 3.3Å; S451-D453 WeakPolarHBondContact CB-OD1 3.42Å; S451-D453 PolarHBondContact O-N 2.96Å; S451-D453 VanDerWaalsContact OG-CG 3.32Å; S451-D453 PolarHBondContact OG-N 2.8Å; S451-D453 VanDerWaalsContact OG-N 3.16Å; S451-D453 PolarHBondContact OG-OD1 2.91Å; S451-H454 PolarHBondContact O-N 3.37Å; S451-S455 PolarHBondContact N-O 2.99Å; S451-V477 PolarHBondContact O-N 2.92Å; S451-V477 VanDerWaalsContact O-N 3.09Å
452	F	97.3	Very high	94.1	Very high	64 Å²	64	16.7 Å²	16.7	28%	0.281	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	0.1	171.4	-63.3	-4.9	0	0	0	113	V434 N436 H454 D476 Y478	V434-F452 HydrophobicContact CB-CB 4.44Å; V434-F452 HydrophobicContact CB-CD2 3.74Å; V434-F452 HydrophobicContact CB-CE2 4.21Å; V434-F452 HydrophobicContact CB-CG 4.18Å; V434-F452 HydrophobicContact CG1-CD2 4.29Å; V434-F452 HydrophobicContact CG1-CE2 4.27Å; V434-F452 HydrophobicContact CG2-CD2 4.26Å; V434-F452 PolarHBondContact O-N 3.36Å; N436-F452 HydrophobicContact CB-CD1 4.13Å; N436-F452 HydrophobicContact CB-CE1 3.47Å; N436-F452 VanDerWaalsContact CB-CE1 3.47Å; N436-F452 HydrophobicContact CB-CZ 3.93Å; F452-H454 PolarHBondContact O-CE1 3.48Å; F452-H454 VanDerWaalsContact O-CE1 3.25Å; F452-H454 PolarHBondContact O-N 2.8Å; F452-H454 PolarHBondContact O-ND1 3.42Å; F452-H454 VanDerWaalsContact O-ND1 3.11Å; F452-D476 HydrophobicContact CB-CB 4.32Å; F452-D476 HydrophobicContact CD1-CB 3.7Å; F452-D476 HydrophobicContact CE1-CB 4.27Å; F452-D476 HydrophobicContact CG-CB 4.1Å; F452-Y478 AromaticContact CE1-CD1 3.83Å; F452-Y478 HydrophobicContact CE1-CD1 3.83Å; F452-Y478 HydrophobicContact CE1-CE1 4.05Å; F452-Y478 HydrophobicContact CZ-CD1 4.35Å; F452-Y478 HydrophobicContact CZ-CE1 4.33Å
453	D	96.1	Very high	93.8	Very high	32 Å²	32	19.1 Å²	19.1	17%	0.171	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	10.5	165.1	70.3	9.9	0	0	0	114.3	H431 Q432 S451 S455	H431-D453 WeakPolarHBondContact CA-OD2 3.37Å; H431-D453 WeakPolarHBondContact CB-OD2 3.48Å; H431-D453 IonicContact CE1-OD1 3.7Å; H431-D453 IonicContact CE1-OD2 3.69Å; H431-D453 IonicContact CG-OD2 2.69Å; H431-D453 IonicContact ND1-OD1 3.09Å; H431-D453 PolarHBondContact ND1-OD1 3.01Å; H431-D453 IonicContact ND1-OD2 3.58Å; H431-D453 PolarHBondContact ND1-OD2 2.91Å; Q432-D453 HydrophobicContact CB-CB 4.02Å; Q432-D453 PolarHBondContact N-OD2 3.1Å; S451-D453 VanDerWaalsContact CB-OD1 3.3Å; S451-D453 WeakPolarHBondContact CB-OD1 3.42Å; S451-D453 PolarHBondContact O-N 2.96Å; S451-D453 VanDerWaalsContact OG-CG 3.32Å; S451-D453 PolarHBondContact OG-N 2.8Å; S451-D453 VanDerWaalsContact OG-N 3.16Å; S451-D453 PolarHBondContact OG-OD1 2.91Å; D453-S455 VanDerWaalsContact CG-OG 3.23Å; D453-S455 PolarHBondContact O-N 3.2Å; D453-S455 WeakPolarHBondContact OD1-CA 3.49Å; D453-S455 VanDerWaalsContact OD1-CB 3.29Å; D453-S455 WeakPolarHBondContact OD1-CB 3.46Å; D453-S455 PolarHBondContact OD1-N 3.15Å; D453-S455 PolarHBondContact OD1-OG 3.34Å; D453-S455 PolarHBondContact OD2-OG 2.89Å
454	H	96.2	Very high	93.9	Very high	68 Å²	68	16.7 Å²	16.7	32%	0.315	8%	0.083	S	C	.	.	S	Bend	trans	68.1	12.9	177.9	-37.2	-28.5	0	0	0	113.5	S451 F452 H473 V474 Q475 D476	S451-H454 PolarHBondContact O-N 3.37Å; F452-H454 PolarHBondContact O-CE1 3.48Å; F452-H454 VanDerWaalsContact O-CE1 3.25Å; F452-H454 PolarHBondContact O-N 2.8Å; F452-H454 PolarHBondContact O-ND1 3.42Å; F452-H454 VanDerWaalsContact O-ND1 3.11Å; H454-H473 WeakPolarHBondContact O-CB 3.26Å; H454-V474 PolarHBondContact CD2-O 2.98Å; H454-Q475 WeakPolarHBondContact ND1-CA 3.24Å; H454-Q475 PolarHBondContact ND1-O 2.68Å; H454-D476 IonicContact CE1-OD1 2.97Å; H454-D476 PolarHBondContact CE1-OD1 3.35Å; H454-D476 PolarHBondContact ND1-N 2.77Å; H454-D476 VanDerWaalsContact ND1-N 3.13Å; H454-D476 IonicContact ND1-OD1 2.86Å
455	S	94.7	Very high	93.8	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.014	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	154.7	-179.5	80.8	0	0	0	0	112.3	S451 D453 K457	S451-S455 PolarHBondContact N-O 2.99Å; D453-S455 VanDerWaalsContact CG-OG 3.23Å; D453-S455 PolarHBondContact O-N 3.2Å; D453-S455 WeakPolarHBondContact OD1-CA 3.49Å; D453-S455 VanDerWaalsContact OD1-CB 3.29Å; D453-S455 WeakPolarHBondContact OD1-CB 3.46Å; D453-S455 PolarHBondContact OD1-N 3.15Å; D453-S455 PolarHBondContact OD1-OG 3.34Å; D453-S455 PolarHBondContact OD2-OG 2.89Å; S455-K457 WeakPolarHBondContact OG-CE 3.42Å
456	V	95.9	Very high	93.9	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.006	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	128.3	163.9	-176.2	0	0	0	0	107.6	A448 S449 M470 V477 V480	A448-V456 HydrophobicContact CB-CG1 4.46Å; S449-V456 VanDerWaalsContact O-CA 3.28Å; S449-V456 WeakPolarHBondContact O-CA 3.49Å; S449-V456 WeakPolarHBondContact O-CG1 3.44Å; V456-M470 HydrophobicContact CB-CB 4.3Å; V456-M470 HydrophobicContact CB-CE 3.54Å; V456-M470 HydrophobicContact CG1-CE 3.22Å; V456-M470 PolarHBondContact N-O 3.14Å; V456-M470 WeakPolarHBondContact O-CB 3.26Å; V456-M470 PolarHBondContact O-N 2.9Å; V456-V477 HydrophobicContact CG2-CG1 3.95Å; V456-V477 HydrophobicContact CG2-CG2 4.42Å; V456-V480 HydrophobicContact CG1-CG1 3.73Å; V456-V480 HydrophobicContact CG2-CG1 4.02Å
457	K	95.1	Very high	93.6	Very high	17 Å²	17	23.6 Å²	23.6	7%	0.074	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	143.9	178.8	-68	178.8	-167.8	-88	0	111.1	G430 H431 A448 S449 S455 W459 F466 A468 T469	G430-K457 WeakPolarHBondContact O-CE 3.06Å; G430-K457 PolarHBondContact O-NZ 3.08Å; H431-K457 VanDerWaalsContact CE1-CD 3.47Å; H431-K457 WeakPolarHBondContact CE1-CD 3.32Å; H431-K457 VanDerWaalsContact CE1-CG 3.48Å; H431-K457 WeakPolarHBondContact CE1-CG 2.92Å; H431-K457 VanDerWaalsContact ND1-CE 3.3Å; H431-K457 WeakPolarHBondContact ND1-CE 3.31Å; A448-K457 WeakPolarHBondContact CA-O 3.12Å; S449-K457 PolarHBondContact N-O 3.11Å; S449-K457 PolarHBondContact O-N 2.71Å; S449-K457 PolarHBondContact OG-O 3.02Å; S455-K457 WeakPolarHBondContact OG-CE 3.42Å; K457-W459 HydrophobicContact CB-CZ2 3.77Å; K457-W459 HydrophobicContact CD-CH2 4.29Å; K457-W459 HydrophobicContact CD-CZ2 3.8Å; K457-W459 HydrophobicContact CG-CZ2 4.42Å; K457-F466 HydrophobicContact CB-CE2 4.16Å; K457-F466 HydrophobicContact CD-CD2 4.38Å; K457-F466 HydrophobicContact CD-CE2 3.89Å; K457-F466 HydrophobicContact CG-CE2 3.99Å; K457-A468 WeakPolarHBondContact CA-O 3.29Å; K457-T469 HydrophobicContact CG-CG2 4.1Å; K457-T469 PolarHBondContact NZ-OG1 2.76Å
458	I	95.2	Very high	93.2	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.01	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	134.4	175.4	-57	-59.7	0	0	0	108.9	L446 L447 A448 L467 A468 M470 W482 V489	L446-I458 HydrophobicContact CD1-CG2 4.37Å; L446-I458 HydrophobicContact CD2-CG2 3.99Å; L447-I458 CarbonylContact O-C 3.58Å; L447-I458 VanDerWaalsContact O-CA 3.26Å; L447-I458 WeakPolarHBondContact O-CA 3.39Å; A448-I458 HydrophobicContact CB-CD1 3.81Å; I458-L467 HydrophobicContact CG2-CB 4.36Å; I458-L467 HydrophobicContact CG2-CD1 4.2Å; I458-L467 WeakPolarHBondContact O-CA 3.11Å; I458-L467 WeakPolarHBondContact O-CB 3.43Å; I458-L467 PolarHBondContact O-N 2.96Å; I458-A468 PolarHBondContact N-O 3.27Å; I458-A468 PolarHBondContact O-N 2.69Å; I458-A468 VanDerWaalsContact O-N 3.13Å; I458-M470 HydrophobicContact CD1-CE 3.74Å; I458-M470 HydrophobicContact CD1-SD 4.35Å; I458-M470 HydrophobicContact CG1-CE 3.99Å; I458-M470 HydrophobicContact CG1-SD 4.09Å; I458-W482 HydrophobicContact CD1-CH2 4.3Å; I458-W482 HydrophobicContact CD1-CZ2 4.34Å; I458-V489 HydrophobicContact CD1-CG2 4.36Å
459	W	93.6	Very high	92.9	Very high	1 Å²	1	24.4 Å²	24.4	0%	0.004	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	157.7	-179.6	-36.6	73.6	0	0	0	110.2	L412 M428 H431 L446 L447 S449 K457 Q465 F466	L412-W459 HydrophobicContact CD1-CH2 4.31Å; L412-W459 HydrophobicContact CD1-CZ2 3.7Å; M428-W459 HydrophobicContact CB-CE3 3.98Å; M428-W459 HydrophobicContact CB-CH2 4.35Å; M428-W459 HydrophobicContact CB-CZ3 3.81Å; M428-W459 HydrophobicContact CE-CB 3.42Å; M428-W459 VanDerWaalsContact CE-CB 3.42Å; M428-W459 HydrophobicContact CE-CD2 3.44Å; M428-W459 VanDerWaalsContact CE-CD2 3.44Å; M428-W459 HydrophobicContact CE-CE3 3.55Å; M428-W459 HydrophobicContact CE-CG 3.38Å; M428-W459 HydrophobicContact CE-CZ3 4.46Å; H431-W459 AromaticContact CD2-CZ2 3.89Å; L446-W459 WeakPolarHBondContact CA-O 3.41Å; L446-W459 WeakPolarHBondContact CD2-O 3.28Å; L447-W459 HydrophobicContact CB-CB 4Å; L447-W459 HydrophobicContact CB-CG 4.38Å; L447-W459 HydrophobicContact CD1-CB 4.46Å; L447-W459 PolarHBondContact N-O 2.96Å; L447-W459 PolarHBondContact O-N 3.22Å; S449-W459 PolarHBondContact OG-NE1 3.01Å; K457-W459 HydrophobicContact CB-CZ2 3.77Å; K457-W459 HydrophobicContact CD-CH2 4.29Å; K457-W459 HydrophobicContact CD-CZ2 3.8Å; K457-W459 HydrophobicContact CG-CZ2 4.42Å; W459-Q465 CarbonylContact C-O 3.49Å; W459-Q465 VanDerWaalsContact CA-O 3.28Å; W459-Q465 WeakPolarHBondContact CA-O 3.46Å; W459-F466 HydrophobicContact CD2-CD2 4.37Å; W459-F466 HydrophobicContact CE3-CB 3.71Å; W459-F466 HydrophobicContact CE3-CD2 4.04Å; W459-F466 HydrophobicContact CE3-CG 4.39Å; W459-F466 HydrophobicContact CH2-CD2 4.02Å; W459-F466 HydrophobicContact CZ2-CD2 4.36Å; W459-F466 HydrophobicContact CZ3-CB 3.65Å; W459-F466 AromaticContact CZ3-CD2 3.86Å; W459-F466 HydrophobicContact CZ3-CD2 3.86Å; W459-F466 HydrophobicContact CZ3-CG 4.21Å
460	D	90.2	Very high	92.6	Very high	5 Å²	5	24.4 Å²	24.4	3%	0.027	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	127.3	167.5	-180	20.1	0	0	0	110.2	R445 F462 T463 G464 Q465 L467	R445-D460 IonicContact CZ-OD1 3.07Å; R445-D460 IonicContact NE-OD1 3.49Å; R445-D460 IonicContact NH1-OD1 3.44Å; R445-D460 PolarHBondContact NH1-OD1 2.62Å; R445-D460 IonicContact NH1-OD2 3.36Å; R445-D460 PolarHBondContact NH1-OD2 3.16Å; R445-D460 VanDerWaalsContact NH1-OD2 3.09Å; D460-F462 VanDerWaalsContact C-N 3.27Å; D460-F462 PolarHBondContact O-N 3.42Å; D460-F462 PolarHBondContact OD1-N 2.89Å; D460-F462 VanDerWaalsContact OD1-N 3.16Å; D460-T463 WeakPolarHBondContact CB-OG1 3.31Å; D460-T463 WeakPolarHBondContact OD2-CB 3.22Å; D460-T463 WeakPolarHBondContact OD2-CG2 3.23Å; D460-T463 PolarHBondContact OD2-N 2.78Å; D460-T463 PolarHBondContact OD2-OG1 3.29Å; D460-G464 WeakPolarHBondContact O-CA 3.26Å; D460-G464 PolarHBondContact O-N 3.42Å; D460-Q465 HydrophobicContact CB-CB 4.34Å; D460-Q465 PolarHBondContact N-O 3.39Å; D460-L467 HydrophobicContact CB-CD1 4.3Å; D460-L467 HydrophobicContact CB-CG 4.47Å
461	G	91.7	Very high	92.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-11.9	-179.7	0	0	0	0	0	114.5	R402 R445	R402-G461 WeakPolarHBondContact CD-O 3.39Å; R402-G461 PolarHBondContact NE-O 2.95Å; R445-G461 WeakPolarHBondContact O-CA 3.38Å; R445-G461 PolarHBondContact O-N 3.33Å
462	F	89.4	Confident	91.8	Very high	55 Å²	55	32.2 Å²	32.2	24%	0.241	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-50.6	176.9	-72.7	-96.6	0	0	0	112.3	R402 L414 R445 D460	R402-F462 VanDerWaalsContact CZ-CE1 3.48Å; R402-F462 VanDerWaalsContact NH1-CD1 3.34Å; R402-F462 VanDerWaalsContact NH2-CZ 3.25Å; L414-F462 WeakPolarHBondContact CD2-O 3.37Å; R445-F462 HydrophobicContact CB-CE2 4.3Å; D460-F462 VanDerWaalsContact C-N 3.27Å; D460-F462 PolarHBondContact O-N 3.42Å; D460-F462 PolarHBondContact OD1-N 2.89Å; D460-F462 VanDerWaalsContact OD1-N 3.16Å
463	T	87.5	Confident	91.7	Very high	61 Å²	61	29.9 Å²	29.9	37%	0.374	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-18.6	-176.2	62.4	0	0	0	0	113.5	A425 D460 Q465	A425-T463 WeakPolarHBondContact CB-O 3.27Å; D460-T463 WeakPolarHBondContact CB-OG1 3.31Å; D460-T463 WeakPolarHBondContact OD2-CB 3.22Å; D460-T463 WeakPolarHBondContact OD2-CG2 3.23Å; D460-T463 PolarHBondContact OD2-N 2.78Å; D460-T463 PolarHBondContact OD2-OG1 3.29Å; T463-Q465 PolarHBondContact O-N 3.33Å; T463-Q465 VanDerWaalsContact OG1-CB 3.3Å; T463-Q465 WeakPolarHBondContact OG1-CB 3.43Å; T463-Q465 PolarHBondContact OG1-N 3.21Å; T463-Q465 VanDerWaalsContact OG1-N 3.15Å
464	G	91	Very high	91.6	Very high	6 Å²	6	33.3 Å²	33.3	6%	0.062	18%	0.175	C	C	.	.			trans	72.6	9	-168.9	0	0	0	0	0	113.7	D460 F466	D460-G464 WeakPolarHBondContact O-CA 3.26Å; D460-G464 PolarHBondContact O-N 3.42Å; G464-F466 PolarHBondContact O-N 2.95Å
465	Q	88.7	Confident	91.7	Very high	61 Å²	61	33.8 Å²	33.8	29%	0.285	18%	0.177	S	C	.	.			trans	-63.1	134	179	-170.2	-177	48.9	0	0	110.6	W459 D460 T463 L467	W459-Q465 CarbonylContact C-O 3.49Å; W459-Q465 VanDerWaalsContact CA-O 3.28Å; W459-Q465 WeakPolarHBondContact CA-O 3.46Å; D460-Q465 HydrophobicContact CB-CB 4.34Å; D460-Q465 PolarHBondContact N-O 3.39Å; T463-Q465 PolarHBondContact O-N 3.33Å; T463-Q465 VanDerWaalsContact OG1-CB 3.3Å; T463-Q465 WeakPolarHBondContact OG1-CB 3.43Å; T463-Q465 PolarHBondContact OG1-N 3.21Å; T463-Q465 VanDerWaalsContact OG1-N 3.15Å; Q465-L467 PolarHBondContact O-N 3.03Å
466	F	90.4	Very high	91.8	Very high	86 Å²	86	34.9 Å²	34.9	38%	0.377	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	125.6	171.1	171.9	-101.6	0	0	0	110.2	K457 W459 G464 A468 T469	K457-F466 HydrophobicContact CB-CE2 4.16Å; K457-F466 HydrophobicContact CD-CD2 4.38Å; K457-F466 HydrophobicContact CD-CE2 3.89Å; K457-F466 HydrophobicContact CG-CE2 3.99Å; W459-F466 HydrophobicContact CD2-CD2 4.37Å; W459-F466 HydrophobicContact CE3-CB 3.71Å; W459-F466 HydrophobicContact CE3-CD2 4.04Å; W459-F466 HydrophobicContact CE3-CG 4.39Å; W459-F466 HydrophobicContact CH2-CD2 4.02Å; W459-F466 HydrophobicContact CZ2-CD2 4.36Å; W459-F466 HydrophobicContact CZ3-CB 3.65Å; W459-F466 AromaticContact CZ3-CD2 3.86Å; W459-F466 HydrophobicContact CZ3-CD2 3.86Å; W459-F466 HydrophobicContact CZ3-CG 4.21Å; G464-F466 PolarHBondContact O-N 2.95Å; F466-A468 WeakPolarHBondContact CE2-O 3.46Å; F466-T469 WeakPolarHBondContact CE2-OG1 3.18Å; F466-T469 WeakPolarHBondContact CZ-OG1 3.28Å
467	L	86.6	Confident	91.9	Very high	35 Å²	35	34.9 Å²	34.9	18%	0.183	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-53	178.5	-61.2	177.6	0	0	0	110.7	L446 I458 D460 Q465 N510	L446-L467 HydrophobicContact CD2-CD1 3.42Å; L446-L467 VanDerWaalsContact CD2-CD1 3.42Å; I458-L467 HydrophobicContact CG2-CB 4.36Å; I458-L467 HydrophobicContact CG2-CD1 4.2Å; I458-L467 WeakPolarHBondContact O-CA 3.11Å; I458-L467 WeakPolarHBondContact O-CB 3.43Å; I458-L467 PolarHBondContact O-N 2.96Å; D460-L467 HydrophobicContact CB-CD1 4.3Å; D460-L467 HydrophobicContact CB-CG 4.47Å; Q465-L467 PolarHBondContact O-N 3.03Å; L467-N510 PolarHBondContact O-ND2 2.98Å
468	A	88.1	Confident	92.1	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.008	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	161.5	-173	0	0	0	0	0	114.5	K457 I458 F466 V506 N510	K457-A468 WeakPolarHBondContact CA-O 3.29Å; I458-A468 PolarHBondContact N-O 3.27Å; I458-A468 PolarHBondContact O-N 2.69Å; I458-A468 VanDerWaalsContact O-N 3.13Å; F466-A468 WeakPolarHBondContact CE2-O 3.46Å; A468-V506 HydrophobicContact CB-CB 4.49Å; A468-V506 HydrophobicContact CB-CG1 3Å; A468-N510 WeakPolarHBondContact CB-ND2 3.48Å
469	T	90.6	Very high	92.2	Very high	15 Å²	15	37.5 Å²	37.5	9%	0.092	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	130.7	168.4	-55.9	0	0	0	0	109.9	K457 F466 F471	K457-T469 HydrophobicContact CG-CG2 4.1Å; K457-T469 PolarHBondContact NZ-OG1 2.76Å; F466-T469 WeakPolarHBondContact CE2-OG1 3.18Å; F466-T469 WeakPolarHBondContact CZ-OG1 3.28Å; T469-F471 HydrophobicContact CG2-CD1 4.11Å; T469-F471 HydrophobicContact CG2-CD2 4.03Å; T469-F471 HydrophobicContact CG2-CE1 3.68Å; T469-F471 HydrophobicContact CG2-CE2 3.59Å; T469-F471 HydrophobicContact CG2-CG 4.28Å; T469-F471 HydrophobicContact CG2-CZ 3.41Å; T469-F471 VanDerWaalsContact CG2-CZ 3.41Å
470	M	91.4	Very high	92.4	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	109.6	174.5	-58.1	-171.9	-61.7	0	0	108.2	V456 I458 V489 W501 V506	V456-M470 HydrophobicContact CB-CB 4.3Å; V456-M470 HydrophobicContact CB-CE 3.54Å; V456-M470 HydrophobicContact CG1-CE 3.22Å; V456-M470 PolarHBondContact N-O 3.14Å; V456-M470 WeakPolarHBondContact O-CB 3.26Å; V456-M470 PolarHBondContact O-N 2.9Å; I458-M470 HydrophobicContact CD1-CE 3.74Å; I458-M470 HydrophobicContact CD1-SD 4.35Å; I458-M470 HydrophobicContact CG1-CE 3.99Å; I458-M470 HydrophobicContact CG1-SD 4.09Å; M470-V489 HydrophobicContact CE-CB 4.41Å; M470-V489 HydrophobicContact CE-CG1 4.33Å; M470-W501 HydrophobicContact CB-CD2 3.97Å; M470-W501 HydrophobicContact CB-CE3 3.71Å; M470-W501 HydrophobicContact CB-CH2 4.26Å; M470-W501 HydrophobicContact CB-CZ3 3.85Å; M470-W501 HydrophobicContact CE-CB 4.01Å; M470-W501 HydrophobicContact CE-CD2 4.28Å; M470-W501 HydrophobicContact CE-CG 3.82Å; M470-W501 HydrophobicContact CG-CD2 4.48Å; M470-W501 HydrophobicContact CG-CE3 4.28Å; M470-W501 HydrophobicContact SD-CB 3.41Å; M470-W501 WeakPolarHBondContact SD-CB 3.47Å; M470-W501 HydrophobicContact SD-CD2 3.96Å; M470-W501 HydrophobicContact SD-CE3 4.18Å; M470-W501 HydrophobicContact SD-CG 3.64Å; M470-V506 HydrophobicContact CG-CG2 3.82Å; M470-V506 HydrophobicContact SD-CG2 3.77Å
471	F	89.4	Confident	92.7	Very high	132 Å²	132	38 Å²	38	58%	0.579	20%	0.2	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	136	178.4	-67.3	-73.5	0	0	0	110.5	T469 W501	T469-F471 HydrophobicContact CG2-CD1 4.11Å; T469-F471 HydrophobicContact CG2-CD2 4.03Å; T469-F471 HydrophobicContact CG2-CE1 3.68Å; T469-F471 HydrophobicContact CG2-CE2 3.59Å; T469-F471 HydrophobicContact CG2-CG 4.28Å; T469-F471 HydrophobicContact CG2-CZ 3.41Å; T469-F471 VanDerWaalsContact CG2-CZ 3.41Å; F471-W501 WeakPolarHBondContact O-CH2 3.47Å; F471-W501 WeakPolarHBondContact O-CZ3 3.4Å
472	G	89	Confident	93	Very high	31 Å²	31	38.4 Å²	38.4	32%	0.32	20%	0.201	S	C	.	.			trans	169.5	-28.2	171.1	0	0	0	0	0	114.3	K499	G472-K499 VanDerWaalsContact C-CE 3.45Å; G472-K499 VanDerWaalsContact O-CE 3.23Å; G472-K499 WeakPolarHBondContact O-CE 3.43Å
473	H	94.9	Very high	93.3	Very high	15 Å²	15	35.8 Å²	35.8	7%	0.069	19%	0.19	C	C	.	.			trans	-70.1	147.4	170.1	-78	-62.5	0	0	0	111.1	H454 V477 S491 S493 D495 T497 K499	H454-H473 WeakPolarHBondContact O-CB 3.26Å; H473-V477 HydrophobicContact CB-CG2 3.88Å; H473-S491 PolarHBondContact CD2-OG 3.15Å; H473-S491 PolarHBondContact NE2-OG 3.48Å; H473-S493 VanDerWaalsContact CE1-CB 3.44Å; H473-S493 WeakPolarHBondContact CE1-CB 3.37Å; H473-S493 WeakPolarHBondContact ND1-CB 3.43Å; H473-D495 VanDerWaalsContact CA-OD2 3.3Å; H473-D495 WeakPolarHBondContact CA-OD2 3.34Å; H473-D495 WeakPolarHBondContact CB-OD2 3.47Å; H473-D495 IonicContact CE1-OD1 3.2Å; H473-D495 IonicContact CE1-OD2 3.36Å; H473-D495 IonicContact CG-OD2 3.88Å; H473-D495 IonicContact ND1-OD1 3.8Å; H473-D495 PolarHBondContact ND1-OD1 3.36Å; H473-D495 IonicContact ND1-OD2 3.6Å; H473-D495 PolarHBondContact ND1-OD2 3.14Å; H473-T497 PolarHBondContact CE1-OG1 2.83Å; H473-T497 PolarHBondContact ND1-OG1 2.93Å; H473-K499 VanDerWaalsContact ND1-CE 3.35Å; H473-K499 WeakPolarHBondContact ND1-CE 3.47Å
474	V	95.1	Very high	93.6	Very high	104 Å²	104	33.3 Å²	33.3	63%	0.63	18%	0.175	S	C	*	.	S	Bend	trans	-104	-13.2	-178	-175.8	0	0	0	0	111.5	H454 D495	H454-V474 PolarHBondContact CD2-O 2.98Å; V474-D495 HydrophobicContact CB-CB 4.45Å; V474-D495 PolarHBondContact N-OD2 2.98Å
475	Q	97.1	Very high	93.7	Very high	78 Å²	78	33.4 Å²	33.4	36%	0.364	17%	0.174	S	C	.	.	S	Bend	trans	-138.5	175.8	-179.8	-65.4	-75.8	-31.4	0	0	110.8	H454 V477 S493 K494 D495	H454-Q475 WeakPolarHBondContact ND1-CA 3.24Å; H454-Q475 PolarHBondContact ND1-O 2.68Å; Q475-V477 PolarHBondContact O-N 2.99Å; Q475-S493 PolarHBondContact O-OG 3.25Å; Q475-K494 HydrophobicContact CB-CB 3.81Å; Q475-K494 HydrophobicContact CB-CD 4.36Å; Q475-K494 HydrophobicContact CB-CG 4.34Å; Q475-D495 HydrophobicContact CB-CB 3.9Å; Q475-D495 HydrophobicContact CG-CB 4.01Å
476	D	97.7	Very high	93.9	Very high	26 Å²	26	31.1 Å²	31.1	14%	0.139	17%	0.165	C	C	.	.			trans	-42.1	122.9	-179.3	-50.4	-24.6	0	0	0	112.7	F452 H454 Y478 S493 K494	F452-D476 HydrophobicContact CB-CB 4.32Å; F452-D476 HydrophobicContact CD1-CB 3.7Å; F452-D476 HydrophobicContact CE1-CB 4.27Å; F452-D476 HydrophobicContact CG-CB 4.1Å; H454-D476 IonicContact CE1-OD1 2.97Å; H454-D476 PolarHBondContact CE1-OD1 3.35Å; H454-D476 PolarHBondContact ND1-N 2.77Å; H454-D476 VanDerWaalsContact ND1-N 3.13Å; H454-D476 IonicContact ND1-OD1 2.86Å; D476-Y478 HydrophobicContact CB-CE1 4.4Å; D476-S493 VanDerWaalsContact O-CA 3.28Å; D476-S493 WeakPolarHBondContact O-CA 3.45Å; D476-S493 WeakPolarHBondContact O-CB 3.37Å; D476-S493 PolarHBondContact O-OG 2.83Å; D476-K494 HydrophobicContact CB-CB 4.22Å; D476-K494 HydrophobicContact CB-CD 4.19Å; D476-K494 PolarHBondContact O-N 3.31Å; D476-K494 VanDerWaalsContact OD2-CD 3.29Å; D476-K494 WeakPolarHBondContact OD2-CD 3.39Å; D476-K494 IonicContact OD2-NZ 2.82Å; D476-K494 PolarHBondContact OD2-NZ 2.97Å
477	V	98.1	Very high	93.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	122.5	173.7	-170.3	0	0	0	0	108	A450 S451 V456 H473 Q475 C492	A450-V477 HydrophobicContact CB-CB 4.17Å; A450-V477 HydrophobicContact CB-CG1 3.76Å; S451-V477 PolarHBondContact O-N 2.92Å; S451-V477 VanDerWaalsContact O-N 3.09Å; V456-V477 HydrophobicContact CG2-CG1 3.95Å; V456-V477 HydrophobicContact CG2-CG2 4.42Å; H473-V477 HydrophobicContact CB-CG2 3.88Å; Q475-V477 PolarHBondContact O-N 2.99Å; V477-C492 WeakPolarHBondContact CG1-O 3.29Å
478	Y	97.8	Very high	94.4	Very high	34 Å²	34	27.3 Å²	27.3	13%	0.133	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-55.2	-176.3	-65.7	-61.8	0	0	0	111.9	N436 D437 F452 D476 C492 K494 A560 V561 Y562	N436-Y478 PolarHBondContact ND2-O 2.94Å; D437-Y478 WeakPolarHBondContact CB-O 3.39Å; F452-Y478 AromaticContact CE1-CD1 3.83Å; F452-Y478 HydrophobicContact CE1-CD1 3.83Å; F452-Y478 HydrophobicContact CE1-CE1 4.05Å; F452-Y478 HydrophobicContact CZ-CD1 4.35Å; F452-Y478 HydrophobicContact CZ-CE1 4.33Å; D476-Y478 HydrophobicContact CB-CE1 4.4Å; Y478-C492 PolarHBondContact N-O 2.92Å; Y478-K494 HydrophobicContact CE2-CB 3.55Å; Y478-K494 HydrophobicContact CE2-CG 4.3Å; Y478-K494 WeakPolarHBondContact OH-CB 3.49Å; Y478-K494 WeakPolarHBondContact OH-CD 3.49Å; Y478-K494 WeakPolarHBondContact OH-CG 3.29Å; Y478-A560 HydrophobicContact CE2-CB 4.17Å; Y478-V561 WeakPolarHBondContact CD2-O 3.42Å; Y478-Y562 AromaticContact CD2-CD1 3.96Å; Y478-Y562 HydrophobicContact CD2-CD1 3.96Å; Y478-Y562 HydrophobicContact CD2-CE1 4.37Å; Y478-Y562 AromaticContact CE2-CD1 3.74Å; Y478-Y562 HydrophobicContact CE2-CD1 3.74Å; Y478-Y562 AromaticContact CE2-CE1 3.68Å; Y478-Y562 HydrophobicContact CE2-CE1 3.68Å; Y478-Y562 HydrophobicContact CG-CD1 4.47Å; Y478-Y562 AromaticContact CZ-CE1 3.8Å
479	L	97.8	Very high	94.8	Very high	41 Å²	41	27.3 Å²	27.3	22%	0.215	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	157.4	-173	-58.9	178.3	0	0	0	112	D437 S491 C492 Y562 L564	D437-L479 HydrophobicContact CB-CD2 3.94Å; L479-S491 WeakPolarHBondContact O-CA 3.49Å; L479-C492 PolarHBondContact O-N 3.37Å; L479-C492 VanDerWaalsContact O-N 3.13Å; L479-Y562 WeakPolarHBondContact CD1-O 3.36Å; L479-L564 HydrophobicContact CB-CB 4.05Å; L479-L564 HydrophobicContact CB-CD2 4.39Å; L479-L564 HydrophobicContact CD1-CB 4.13Å
480	V	97.7	Very high	95.1	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.018	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	145.4	169.8	-79.1	0	0	0	0	110.5	D437 K439 A448 A450 V456 V489 V490	D437-V480 PolarHBondContact OD2-N 2.96Å; K439-V480 HydrophobicContact CG-CG2 4.14Å; A448-V480 HydrophobicContact CB-CG2 4.35Å; A450-V480 HydrophobicContact CB-CG1 3.91Å; A450-V480 HydrophobicContact CB-CG2 4.26Å; V456-V480 HydrophobicContact CG1-CG1 3.73Å; V456-V480 HydrophobicContact CG2-CG1 4.02Å; V480-V489 HydrophobicContact CB-CG1 4.3Å; V480-V489 HydrophobicContact CG1-CG1 4.2Å; V480-V490 CarbonylContact C-O 3.6Å; V480-V490 VanDerWaalsContact CA-O 3.29Å; V480-V490 WeakPolarHBondContact CA-O 3.47Å
481	S	97.6	Very high	95.4	Very high	14 Å²	14	26.5 Å²	26.5	10%	0.098	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	139.9	172.5	-168.6	0	0	0	0	110.6	V489 V490 W566	S481-V489 CarbonylContact O-C 3.48Å; S481-V489 WeakPolarHBondContact O-CA 3.48Å; S481-V490 PolarHBondContact N-O 3.22Å; S481-V490 PolarHBondContact O-N 2.94Å; S481-W566 WeakPolarHBondContact OG-CB 3.3Å; S481-W566 PolarHBondContact OG-N 3.13Å
482	W	97.5	Very high	95.8	Very high	8 Å²	8	20.2 Å²	20.2	3%	0.03	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	147.8	177	-75.2	93.1	0	0	0	111.1	K439 F440 P442 L446 A448 I458 V489 V503	K439-W482 PolarHBondContact O-NE1 3.31Å; F440-W482 PolarHBondContact O-NE1 2.99Å; P442-W482 HydrophobicContact CG-CB 4.39Å; L446-W482 HydrophobicContact CB-CH2 3.61Å; L446-W482 HydrophobicContact CB-CZ2 3.95Å; L446-W482 HydrophobicContact CB-CZ3 4.49Å; L446-W482 HydrophobicContact CD1-CH2 3.82Å; L446-W482 HydrophobicContact CD1-CZ3 4.3Å; L446-W482 HydrophobicContact CG-CH2 4.42Å; A448-W482 HydrophobicContact CB-CZ2 3.58Å; I458-W482 HydrophobicContact CD1-CH2 4.3Å; I458-W482 HydrophobicContact CD1-CZ2 4.34Å; W482-V489 HydrophobicContact CD2-CG2 3.73Å; W482-V489 HydrophobicContact CE3-CG2 3.56Å; W482-V489 HydrophobicContact CH2-CG2 3.71Å; W482-V489 HydrophobicContact CZ2-CG2 3.88Å; W482-V489 HydrophobicContact CZ3-CG2 3.57Å; W482-V503 HydrophobicContact CH2-CG2 4.01Å; W482-V503 HydrophobicContact CZ3-CG2 3.73Å
483	S	96	Very high	96.2	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.098	C	C	.	.			trans	-68.9	151.4	162	61.2	0	0	0	0	110.5	P442 D485 S486 R487 L488	P442-S483 VanDerWaalsContact CG-O 3.27Å; P442-S483 WeakPolarHBondContact CG-O 3.48Å; S483-D485 WeakPolarHBondContact CB-OD1 3.44Å; S483-D485 PolarHBondContact O-N 2.83Å; S483-D485 VanDerWaalsContact O-N 3.15Å; S483-D485 PolarHBondContact OG-OD1 2.81Å; S483-S486 PolarHBondContact O-N 3.4Å; S483-R487 PolarHBondContact OG-N 3.09Å; S483-L488 PolarHBondContact N-O 2.74Å; S483-L488 PolarHBondContact OG-N 2.94Å; S483-L488 PolarHBondContact OG-O 2.9Å
484	S	93.4	Very high	96.3	Very high	9 Å²	9	22.3 Å²	22.3	6%	0.063	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-24.9	179.7	49.2	0	0	0	0	113.9	F136 V138 Y353 P568	F136-S484 VanDerWaalsContact CE2-OG 3.28Å; F136-S484 WeakPolarHBondContact CE2-OG 3.17Å; V138-S484 WeakPolarHBondContact CG2-OG 3.47Å; Y353-S484 WeakPolarHBondContact OH-CB 3.46Å; S484-P568 VanDerWaalsContact CB-O 3.26Å; S484-P568 WeakPolarHBondContact CB-O 3.27Å; S484-P568 PolarHBondContact OG-O 3.26Å
485	D	92	Very high	96.4	Very high	7 Å²	7	18.7 Å²	18.7	4%	0.037	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	4.5	176.5	72.1	-13	0	0	0	114.7	A134 F136 V138 S483 R487	A134-D485 HydrophobicContact CB-CB 3.79Å; F136-D485 HydrophobicContact CD2-CB 4.22Å; F136-D485 HydrophobicContact CE2-CB 3.74Å; F136-D485 HydrophobicContact CZ-CB 4.33Å; V138-D485 HydrophobicContact CG2-CB 4.01Å; V138-D485 PolarHBondContact N-OD2 2.86Å; S483-D485 WeakPolarHBondContact CB-OD1 3.44Å; S483-D485 PolarHBondContact O-N 2.83Å; S483-D485 VanDerWaalsContact O-N 3.15Å; S483-D485 PolarHBondContact OG-OD1 2.81Å; D485-R487 HydrophobicContact CB-CG 4.43Å; D485-R487 PolarHBondContact O-N 3.05Å; D485-R487 PolarHBondContact OD1-N 2.98Å; D485-R487 WeakPolarHBondContact OD2-CD 3Å; D485-R487 IonicContact OD2-CZ 3.49Å; D485-R487 IonicContact OD2-NE 3.83Å; D485-R487 IonicContact OD2-NH1 3.89Å; D485-R487 PolarHBondContact OD2-NH1 3.44Å
486	S	93.5	Very high	96.4	Very high	14 Å²	14	16.7 Å²	16.7	10%	0.098	9%	0.085	C	C	.	.	S	Bend	trans	62	14.7	-178.5	-52.3	0	0	0	0	115.7	P442 N443 S483	P442-S486 WeakPolarHBondContact CD-OG 3.44Å; N443-S486 PolarHBondContact N-OG 3.5Å; S483-S486 PolarHBondContact O-N 3.4Å
487	R	91.5	Very high	96.3	Very high	30 Å²	30	16.2 Å²	16.2	11%	0.113	8%	0.084	C	C	.	.	S	Bend	trans	-97.7	-25.8	-176.8	-61.6	-172.8	-177.7	108.5	-4	114	A134 F136 S483 D485 V503	A134-R487 PolarHBondContact O-NH2 2.61Å; F136-R487 PolarHBondContact O-NH1 3.3Å; S483-R487 PolarHBondContact OG-N 3.09Å; D485-R487 HydrophobicContact CB-CG 4.43Å; D485-R487 PolarHBondContact O-N 3.05Å; D485-R487 PolarHBondContact OD1-N 2.98Å; D485-R487 WeakPolarHBondContact OD2-CD 3Å; D485-R487 IonicContact OD2-CZ 3.49Å; D485-R487 IonicContact OD2-NE 3.83Å; D485-R487 IonicContact OD2-NH1 3.89Å; D485-R487 PolarHBondContact OD2-NH1 3.44Å; R487-V503 WeakPolarHBondContact O-CB 3.47Å; R487-V503 PolarHBondContact O-N 3.32Å; R487-V503 VanDerWaalsContact O-N 3.08Å
488	L	95.4	Very high	96.3	Very high	11 Å²	11	16.2 Å²	16.2	6%	0.058	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	148.9	-174.3	-55.3	175.1	0	0	0	110.8	P140 S483 W501 L551 W566	P140-L488 HydrophobicContact CB-CD1 3.82Å; S483-L488 PolarHBondContact N-O 2.74Å; S483-L488 PolarHBondContact OG-N 2.94Å; S483-L488 PolarHBondContact OG-O 2.9Å; L488-W501 WeakPolarHBondContact CA-O 3.32Å; L488-L551 HydrophobicContact CD2-CD1 3.56Å; L488-W566 HydrophobicContact CB-CH2 3.58Å; L488-W566 HydrophobicContact CB-CZ3 3.75Å; L488-W566 HydrophobicContact CD1-CH2 3.7Å; L488-W566 HydrophobicContact CD1-CZ2 4.29Å; L488-W566 HydrophobicContact CG-CH2 4.3Å
489	V	97.1	Very high	96.2	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	139.3	171.3	177.3	0	0	0	0	107.9	A448 I458 M470 V480 S481 W482 W501 V503	A448-V489 HydrophobicContact CB-CG1 4.25Å; A448-V489 HydrophobicContact CB-CG2 4.31Å; I458-V489 HydrophobicContact CD1-CG2 4.36Å; M470-V489 HydrophobicContact CE-CB 4.41Å; M470-V489 HydrophobicContact CE-CG1 4.33Å; V480-V489 HydrophobicContact CB-CG1 4.3Å; V480-V489 HydrophobicContact CG1-CG1 4.2Å; S481-V489 CarbonylContact O-C 3.48Å; S481-V489 WeakPolarHBondContact O-CA 3.48Å; W482-V489 HydrophobicContact CD2-CG2 3.73Å; W482-V489 HydrophobicContact CE3-CG2 3.56Å; W482-V489 HydrophobicContact CH2-CG2 3.71Å; W482-V489 HydrophobicContact CZ2-CG2 3.88Å; W482-V489 HydrophobicContact CZ3-CG2 3.57Å; V489-W501 HydrophobicContact CB-CB 4.4Å; V489-W501 PolarHBondContact N-O 3.3Å; V489-W501 VanDerWaalsContact O-CD1 3.3Å; V489-W501 PolarHBondContact O-N 3.46Å; V489-V503 HydrophobicContact CG2-CG2 3.97Å
490	V	97.4	Very high	96.2	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	141.7	167.4	178	0	0	0	0	108.6	V480 S481 V498 K499 V500 L564 W566 V573	V480-V490 CarbonylContact C-O 3.6Å; V480-V490 VanDerWaalsContact CA-O 3.29Å; V480-V490 WeakPolarHBondContact CA-O 3.47Å; S481-V490 PolarHBondContact N-O 3.22Å; S481-V490 PolarHBondContact O-N 2.94Å; V490-V498 HydrophobicContact CG1-CG1 3.26Å; V490-K499 CarbonylContact C-O 3.51Å; V490-K499 VanDerWaalsContact CA-O 3.27Å; V490-K499 WeakPolarHBondContact CA-O 3.43Å; V490-V500 HydrophobicContact CG2-CG1 4.37Å; V490-V500 HydrophobicContact CG2-CG2 4.16Å; V490-L564 HydrophobicContact CB-CD2 4.4Å; V490-L564 HydrophobicContact CG1-CD1 3.68Å; V490-L564 HydrophobicContact CG1-CD2 4Å; V490-L564 HydrophobicContact CG1-CG 4.38Å; V490-L564 WeakPolarHBondContact O-CD2 3.39Å; V490-W566 HydrophobicContact CB-CE3 4.27Å; V490-W566 HydrophobicContact CB-CZ3 4.29Å; V490-W566 HydrophobicContact CG2-CD2 4.43Å; V490-W566 HydrophobicContact CG2-CE3 3.53Å; V490-W566 HydrophobicContact CG2-CH2 3.91Å; V490-W566 HydrophobicContact CG2-CZ3 3.24Å; V490-V573 HydrophobicContact CG1-CG1 4.13Å; V490-V573 HydrophobicContact CG2-CG2 4.06Å
491	S	97.7	Very high	96	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	150.5	173	59.1	0	0	0	0	111.9	H473 L479 V498 K499 W501	H473-S491 PolarHBondContact CD2-OG 3.15Å; H473-S491 PolarHBondContact NE2-OG 3.48Å; L479-S491 WeakPolarHBondContact O-CA 3.49Å; S491-V498 CarbonylContact O-C 3.6Å; S491-V498 VanDerWaalsContact O-CA 3.31Å; S491-V498 WeakPolarHBondContact O-CA 3.42Å; S491-K499 PolarHBondContact N-O 2.91Å; S491-K499 PolarHBondContact O-N 3.38Å; S491-W501 PolarHBondContact OG-NE1 3.1Å
492	C	97.3	Very high	95.8	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	145.3	174.6	77	0	0	0	0	111	V477 Y478 L479 V498 V561 L564	V477-C492 WeakPolarHBondContact CG1-O 3.29Å; Y478-C492 PolarHBondContact N-O 2.92Å; L479-C492 PolarHBondContact O-N 3.37Å; L479-C492 VanDerWaalsContact O-N 3.13Å; C492-V498 HydrophobicContact CB-CG2 4.33Å; C492-V561 HydrophobicContact CB-CB 3.89Å; C492-V561 HydrophobicContact CB-CG1 3.57Å; C492-V561 PolarHBondContact SG-O 3.36Å; C492-L564 HydrophobicContact CB-CB 4.1Å; C492-L564 HydrophobicContact CB-CD1 4.3Å; C492-L564 HydrophobicContact CB-CD2 4.12Å; C492-L564 HydrophobicContact CB-CG 4.4Å
493	S	97.9	Very high	95.3	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	164.2	-171.6	171.9	0	0	0	0	112.8	H473 Q475 D476 D495 S496 T497 V561	H473-S493 VanDerWaalsContact CE1-CB 3.44Å; H473-S493 WeakPolarHBondContact CE1-CB 3.37Å; H473-S493 WeakPolarHBondContact ND1-CB 3.43Å; Q475-S493 PolarHBondContact O-OG 3.25Å; D476-S493 VanDerWaalsContact O-CA 3.28Å; D476-S493 WeakPolarHBondContact O-CA 3.45Å; D476-S493 WeakPolarHBondContact O-CB 3.37Å; D476-S493 PolarHBondContact O-OG 2.83Å; S493-D495 VanDerWaalsContact CB-OD1 3.26Å; S493-D495 WeakPolarHBondContact CB-OD1 3.09Å; S493-D495 PolarHBondContact O-N 2.89Å; S493-D495 VanDerWaalsContact OG-CG 3.26Å; S493-D495 PolarHBondContact OG-N 3.19Å; S493-D495 VanDerWaalsContact OG-N 3.1Å; S493-D495 PolarHBondContact OG-OD1 3.43Å; S493-S496 PolarHBondContact O-N 2.89Å; S493-T497 PolarHBondContact N-O 2.96Å; S493-V561 PolarHBondContact O-N 2.83Å; S493-V561 VanDerWaalsContact O-N 3.1Å
494	K	97.6	Very high	94.7	Very high	90 Å²	90	15.2 Å²	15.2	39%	0.391	8%	0.081	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-18.6	166.1	-171.1	-177.5	-172.9	-177.8	0	113.4	Q475 D476 Y478 S496 A560	Q475-K494 HydrophobicContact CB-CB 3.81Å; Q475-K494 HydrophobicContact CB-CD 4.36Å; Q475-K494 HydrophobicContact CB-CG 4.34Å; D476-K494 HydrophobicContact CB-CB 4.22Å; D476-K494 HydrophobicContact CB-CD 4.19Å; D476-K494 PolarHBondContact O-N 3.31Å; D476-K494 VanDerWaalsContact OD2-CD 3.29Å; D476-K494 WeakPolarHBondContact OD2-CD 3.39Å; D476-K494 IonicContact OD2-NZ 2.82Å; D476-K494 PolarHBondContact OD2-NZ 2.97Å; Y478-K494 HydrophobicContact CE2-CB 3.55Å; Y478-K494 HydrophobicContact CE2-CG 4.3Å; Y478-K494 WeakPolarHBondContact OH-CB 3.49Å; Y478-K494 WeakPolarHBondContact OH-CD 3.49Å; Y478-K494 WeakPolarHBondContact OH-CG 3.29Å; K494-S496 PolarHBondContact O-N 2.89Å; K494-S496 VanDerWaalsContact O-N 3.12Å; K494-A560 HydrophobicContact CB-CB 4.42Å; K494-A560 HydrophobicContact CG-CB 4.18Å
495	D	96.3	Very high	93.9	Very high	27 Å²	27	18.3 Å²	18.3	14%	0.144	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	9.6	176.3	68.7	14.5	0	0	0	114.2	H473 V474 Q475 S493 T497	H473-D495 VanDerWaalsContact CA-OD2 3.3Å; H473-D495 WeakPolarHBondContact CA-OD2 3.34Å; H473-D495 WeakPolarHBondContact CB-OD2 3.47Å; H473-D495 IonicContact CE1-OD1 3.2Å; H473-D495 IonicContact CE1-OD2 3.36Å; H473-D495 IonicContact CG-OD2 3.88Å; H473-D495 IonicContact ND1-OD1 3.8Å; H473-D495 PolarHBondContact ND1-OD1 3.36Å; H473-D495 IonicContact ND1-OD2 3.6Å; H473-D495 PolarHBondContact ND1-OD2 3.14Å; V474-D495 HydrophobicContact CB-CB 4.45Å; V474-D495 PolarHBondContact N-OD2 2.98Å; Q475-D495 HydrophobicContact CB-CB 3.9Å; Q475-D495 HydrophobicContact CG-CB 4.01Å; S493-D495 VanDerWaalsContact CB-OD1 3.26Å; S493-D495 WeakPolarHBondContact CB-OD1 3.09Å; S493-D495 PolarHBondContact O-N 2.89Å; S493-D495 VanDerWaalsContact OG-CG 3.26Å; S493-D495 PolarHBondContact OG-N 3.19Å; S493-D495 VanDerWaalsContact OG-N 3.1Å; S493-D495 PolarHBondContact OG-OD1 3.43Å; D495-T497 VanDerWaalsContact CG-OG1 3.24Å; D495-T497 PolarHBondContact O-N 3.35Å; D495-T497 WeakPolarHBondContact OD1-CB 3.34Å; D495-T497 PolarHBondContact OD1-N 3.34Å; D495-T497 PolarHBondContact OD1-OG1 2.81Å; D495-T497 PolarHBondContact OD2-OG1 2.85Å
496	S	96.6	Very high	93.1	Very high	36 Å²	36	18.1 Å²	18.1	25%	0.252	9%	0.093	S	C	.	.	S	Bend	trans	65.2	13.5	-178.9	72.6	0	0	0	0	115.2	S493 K494 H557 D559	S493-S496 PolarHBondContact O-N 2.89Å; K494-S496 PolarHBondContact O-N 2.89Å; K494-S496 VanDerWaalsContact O-N 3.12Å; S496-H557 WeakPolarHBondContact CB-O 3.48Å; S496-D559 WeakPolarHBondContact CA-O 3.43Å; S496-D559 VanDerWaalsContact CB-O 3.27Å; S496-D559 WeakPolarHBondContact CB-O 3.22Å
497	T	96.5	Very high	92.2	Very high	17 Å²	17	19.2 Å²	19.2	10%	0.104	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	152.5	177.6	72.2	0	0	0	0	112.7	H473 S493 D495 K499	H473-T497 PolarHBondContact CE1-OG1 2.83Å; H473-T497 PolarHBondContact ND1-OG1 2.93Å; S493-T497 PolarHBondContact N-O 2.96Å; D495-T497 VanDerWaalsContact CG-OG1 3.24Å; D495-T497 PolarHBondContact O-N 3.35Å; D495-T497 WeakPolarHBondContact OD1-CB 3.34Å; D495-T497 PolarHBondContact OD1-N 3.34Å; D495-T497 PolarHBondContact OD1-OG1 2.81Å; D495-T497 PolarHBondContact OD2-OG1 2.85Å; T497-K499 WeakPolarHBondContact OG1-CE 3.39Å
498	V	97.1	Very high	91.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	138.9	163.7	177.6	0	0	0	0	107.3	V490 S491 C492 L554 V561 L564 W585	V490-V498 HydrophobicContact CG1-CG1 3.26Å; S491-V498 CarbonylContact O-C 3.6Å; S491-V498 VanDerWaalsContact O-CA 3.31Å; S491-V498 WeakPolarHBondContact O-CA 3.42Å; C492-V498 HydrophobicContact CB-CG2 4.33Å; V498-L554 HydrophobicContact CB-CB 4.07Å; V498-L554 HydrophobicContact CG1-CD1 4.18Å; V498-L554 PolarHBondContact N-O 2.84Å; V498-L554 VanDerWaalsContact N-O 3.12Å; V498-L554 WeakPolarHBondContact O-CA 3.36Å; V498-L554 VanDerWaalsContact O-CB 3.22Å; V498-L554 WeakPolarHBondContact O-CB 3.32Å; V498-L554 PolarHBondContact O-N 3.03Å; V498-V561 HydrophobicContact CG2-CG1 4.36Å; V498-L564 HydrophobicContact CG1-CD1 4.23Å; V498-W585 HydrophobicContact CG2-CZ2 4.29Å
499	K	96.4	Very high	89.9	Confident	7 Å²	7	28 Å²	28	3%	0.03	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	137	-178.3	-70.3	-175.3	-163.5	-65.3	0	110.9	G472 H473 V490 S491 T497 W501 L550 D553	G472-K499 VanDerWaalsContact C-CE 3.45Å; G472-K499 VanDerWaalsContact O-CE 3.23Å; G472-K499 WeakPolarHBondContact O-CE 3.43Å; H473-K499 VanDerWaalsContact ND1-CE 3.35Å; H473-K499 WeakPolarHBondContact ND1-CE 3.47Å; V490-K499 CarbonylContact C-O 3.51Å; V490-K499 VanDerWaalsContact CA-O 3.27Å; V490-K499 WeakPolarHBondContact CA-O 3.43Å; S491-K499 PolarHBondContact N-O 2.91Å; S491-K499 PolarHBondContact O-N 3.38Å; T497-K499 WeakPolarHBondContact OG1-CE 3.39Å; K499-W501 HydrophobicContact CB-CZ2 3.67Å; K499-W501 HydrophobicContact CD-CH2 4.01Å; K499-W501 HydrophobicContact CD-CZ2 3.72Å; K499-W501 HydrophobicContact CG-CZ2 4.32Å; K499-W501 PolarHBondContact O-NE1 3.27Å; K499-L550 HydrophobicContact CB-CD1 3.6Å; K499-L550 HydrophobicContact CD-CD1 3.85Å; K499-L550 HydrophobicContact CD-CD2 4.39Å; K499-L550 HydrophobicContact CG-CD1 3.79Å; K499-D553 IonicContact NZ-OD1 3.91Å; K499-D553 PolarHBondContact NZ-OD1 3.36Å; K499-D553 IonicContact NZ-OD2 3.82Å; K499-D553 PolarHBondContact NZ-OD2 3.18Å
500	V	96.6	Very high	88.5	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	128.7	177.8	-170.2	0	0	0	0	109.2	P140 V141 V490 L551 H552 L554	P140-V500 HydrophobicContact CB-CG1 4.1Å; V141-V500 HydrophobicContact CG2-CG2 3.66Å; V490-V500 HydrophobicContact CG2-CG1 4.37Å; V490-V500 HydrophobicContact CG2-CG2 4.16Å; V500-L551 HydrophobicContact CG1-CD1 4.39Å; V500-L551 PolarHBondContact O-N 3.4Å; V500-H552 HydrophobicContact CB-CB 4.28Å; V500-H552 HydrophobicContact CG2-CB 4.21Å; V500-H552 PolarHBondContact N-O 3.34Å; V500-H552 PolarHBondContact O-N 3.25Å; V500-L554 HydrophobicContact CG2-CD1 3.7Å; V500-L554 HydrophobicContact CG2-CG 4.28Å
501	W	94.7	Very high	87.1	Confident	2 Å²	2	30.5 Å²	30.5	1%	0.008	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	137.8	-174.9	-48.1	93.8	0	0	0	111.3	M470 F471 L488 V489 S491 K499 H549 L550	M470-W501 HydrophobicContact CB-CD2 3.97Å; M470-W501 HydrophobicContact CB-CE3 3.71Å; M470-W501 HydrophobicContact CB-CH2 4.26Å; M470-W501 HydrophobicContact CB-CZ3 3.85Å; M470-W501 HydrophobicContact CE-CB 4.01Å; M470-W501 HydrophobicContact CE-CD2 4.28Å; M470-W501 HydrophobicContact CE-CG 3.82Å; M470-W501 HydrophobicContact CG-CD2 4.48Å; M470-W501 HydrophobicContact CG-CE3 4.28Å; M470-W501 HydrophobicContact SD-CB 3.41Å; M470-W501 WeakPolarHBondContact SD-CB 3.47Å; M470-W501 HydrophobicContact SD-CD2 3.96Å; M470-W501 HydrophobicContact SD-CE3 4.18Å; M470-W501 HydrophobicContact SD-CG 3.64Å; F471-W501 WeakPolarHBondContact O-CH2 3.47Å; F471-W501 WeakPolarHBondContact O-CZ3 3.4Å; L488-W501 WeakPolarHBondContact CA-O 3.32Å; V489-W501 HydrophobicContact CB-CB 4.4Å; V489-W501 PolarHBondContact N-O 3.3Å; V489-W501 VanDerWaalsContact O-CD1 3.3Å; V489-W501 PolarHBondContact O-N 3.46Å; S491-W501 PolarHBondContact OG-NE1 3.1Å; K499-W501 HydrophobicContact CB-CZ2 3.67Å; K499-W501 HydrophobicContact CD-CH2 4.01Å; K499-W501 HydrophobicContact CD-CZ2 3.72Å; K499-W501 HydrophobicContact CG-CZ2 4.32Å; K499-W501 PolarHBondContact O-NE1 3.27Å; W501-H549 WeakPolarHBondContact CA-O 3.19Å; W501-H549 HydrophobicContact CE3-CB 4.15Å; W501-L550 HydrophobicContact CD2-CD1 4.43Å; W501-L550 HydrophobicContact CE3-CB 4.08Å; W501-L550 HydrophobicContact CE3-CD1 4.18Å; W501-L550 HydrophobicContact CH2-CB 4.48Å; W501-L550 HydrophobicContact CH2-CD1 4.1Å; W501-L550 HydrophobicContact CZ2-CD1 4.33Å; W501-L550 HydrophobicContact CZ3-CB 3.76Å; W501-L550 HydrophobicContact CZ3-CD1 4.02Å; W501-L550 HydrophobicContact CZ3-CG 4.45Å
502	S	92.2	Very high	85.7	Confident	14 Å²	14	33.7 Å²	33.7	10%	0.098	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	118.1	170.8	-179.2	0	0	0	0	110.4	N504 E505 V506 H549	S502-N504 VanDerWaalsContact C-N 3.29Å; S502-N504 PolarHBondContact O-N 2.92Å; S502-E505 WeakPolarHBondContact CB-OE2 3.19Å; S502-E505 PolarHBondContact O-N 2.84Å; S502-E505 PolarHBondContact OG-N 2.91Å; S502-V506 VanDerWaalsContact O-CG2 3.24Å; S502-V506 WeakPolarHBondContact O-CG2 3.31Å; S502-V506 PolarHBondContact O-N 2.78Å; S502-H549 PolarHBondContact N-O 3.19Å
503	V	88.4	Confident	84.3	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.012	17%	0.167	C	C	.	.	H	α-helix	trans	-69.4	-30.8	178.1	176.8	0	0	0	0	111.8	L446 W482 R487 V489 V506 R507	L446-V503 HydrophobicContact CD1-CG1 3.41Å; L446-V503 VanDerWaalsContact CD1-CG1 3.41Å; W482-V503 HydrophobicContact CH2-CG2 4.01Å; W482-V503 HydrophobicContact CZ3-CG2 3.73Å; R487-V503 WeakPolarHBondContact O-CB 3.47Å; R487-V503 PolarHBondContact O-N 3.32Å; R487-V503 VanDerWaalsContact O-N 3.08Å; V489-V503 HydrophobicContact CG2-CG2 3.97Å; V503-V506 WeakPolarHBondContact O-CB 3.25Å; V503-V506 PolarHBondContact O-N 3.27Å; V503-R507 PolarHBondContact O-N 2.87Å
504	N	82.5	Confident	82.7	Confident	53 Å²	53	39.5 Å²	39.5	28%	0.283	19%	0.189	S	C	.	.	H	α-helix	trans	-67.1	-40.4	177.9	-72.9	-7.4	0	0	0	111.6	S502 V506 R507 R508	S502-N504 VanDerWaalsContact C-N 3.29Å; S502-N504 PolarHBondContact O-N 2.92Å; N504-V506 VanDerWaalsContact C-N 3.29Å; N504-V506 PolarHBondContact O-N 2.75Å; N504-R507 PolarHBondContact O-N 2.89Å; N504-R508 WeakPolarHBondContact O-CB 3.33Å; N504-R508 PolarHBondContact O-N 3.32Å
505	E	77.9	Confident	81	Confident	75 Å²	75	39.1 Å²	39.1	35%	0.35	19%	0.194	S	C	.	.	H	α-helix	trans	-66.3	-35.8	176.4	-68.3	175.4	170.2	0	0	111.5	S502 R508 W509 H549 L551	S502-E505 WeakPolarHBondContact CB-OE2 3.19Å; S502-E505 PolarHBondContact O-N 2.84Å; S502-E505 PolarHBondContact OG-N 2.91Å; E505-R508 PolarHBondContact O-N 2.5Å; E505-W509 PolarHBondContact O-N 3.28Å; E505-H549 PolarHBondContact O-CE1 3.44Å; E505-H549 VanDerWaalsContact O-CE1 3.26Å; E505-H549 PolarHBondContact O-ND1 2.99Å; E505-L551 WeakPolarHBondContact OE1-CD2 3.4Å; E505-L551 WeakPolarHBondContact OE2-CD2 3.47Å
506	V	74.1	Confident	79.5	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.012	20%	0.199	C	C	.	.	H	α-helix	trans	-59.5	-50.3	173.6	172.3	0	0	0	0	111.6	A468 M470 S502 V503 N504 N510 H549	A468-V506 HydrophobicContact CB-CB 4.49Å; A468-V506 HydrophobicContact CB-CG1 3Å; M470-V506 HydrophobicContact CG-CG2 3.82Å; M470-V506 HydrophobicContact SD-CG2 3.77Å; S502-V506 VanDerWaalsContact O-CG2 3.24Å; S502-V506 WeakPolarHBondContact O-CG2 3.31Å; S502-V506 PolarHBondContact O-N 2.78Å; V503-V506 WeakPolarHBondContact O-CB 3.25Å; V503-V506 PolarHBondContact O-N 3.27Å; N504-V506 VanDerWaalsContact C-N 3.29Å; N504-V506 PolarHBondContact O-N 2.75Å; V506-N510 PolarHBondContact O-N 3.42Å; V506-N510 PolarHBondContact O-ND2 2.73Å; V506-H549 WeakPolarHBondContact CA-CE1 3.03Å; V506-H549 VanDerWaalsContact CA-ND1 3.29Å; V506-H549 WeakPolarHBondContact CA-ND1 3.46Å; V506-H549 HydrophobicContact CG2-CB 3.65Å; V506-H549 VanDerWaalsContact CG2-CG 3.48Å; V506-H549 PolarHBondContact N-ND1 3.49Å
507	R	74.3	Confident	77.8	Confident	37 Å²	37	40.4 Å²	40.4	14%	0.14	20%	0.203	C	C	.	.	H	α-helix	trans	-63.6	-44	177.2	-70.7	-179.6	172.7	173.3	-5.3	111.5	L95 L446 V503 N504 W509 N510 Q511	L95-R507 HydrophobicContact CD1-CB 4.37Å; L446-R507 VanDerWaalsContact CD1-NH2 3.34Å; V503-R507 PolarHBondContact O-N 2.87Å; N504-R507 PolarHBondContact O-N 2.89Å; R507-W509 PolarHBondContact O-N 2.97Å; R507-N510 WeakPolarHBondContact O-CB 3.23Å; R507-N510 PolarHBondContact O-N 2.96Å; R507-Q511 WeakPolarHBondContact O-CG 3.49Å; R507-Q511 PolarHBondContact O-N 3.22Å; R507-Q511 VanDerWaalsContact O-N 3.12Å
508	R	73.1	Confident	76.1	Confident	124 Å²	124	48.2 Å²	48.2	47%	0.468	24%	0.236	S	C	.	.	H	α-helix	trans	-59	-46	-179.9	-169.2	-179.3	-175.6	146.3	20	112.5	L95 D96 N504 E505 N510 Q511 E512	L95-R508 HydrophobicContact CD1-CB 3.97Å; L95-R508 HydrophobicContact CD1-CG 4.39Å; D96-R508 IonicContact OD1-NH2 3.47Å; N504-R508 WeakPolarHBondContact O-CB 3.33Å; N504-R508 PolarHBondContact O-N 3.32Å; E505-R508 PolarHBondContact O-N 2.5Å; R508-N510 VanDerWaalsContact C-N 3.34Å; R508-N510 PolarHBondContact O-N 3.16Å; R508-Q511 WeakPolarHBondContact O-CB 3.36Å; R508-Q511 PolarHBondContact O-N 3.28Å; R508-Q511 VanDerWaalsContact O-N 3.15Å; R508-E512 IonicContact NE-OE1 3.98Å; R508-E512 PolarHBondContact NE-OE1 3.15Å; R508-E512 WeakPolarHBondContact O-CG 3.29Å; R508-E512 PolarHBondContact O-N 2.74Å
509	W	66.8	Low	74.3	Confident	101 Å²	101	54.9 Å²	54.9	38%	0.383	27%	0.267	S	S	.	.	H	α-helix	trans	-63.2	-39.7	177.9	174.9	73.7	0	0	0	113	E505 R507 Q511 E512 S513 H549	E505-W509 PolarHBondContact O-N 3.28Å; R507-W509 PolarHBondContact O-N 2.97Å; W509-Q511 VanDerWaalsContact C-N 3.25Å; W509-Q511 PolarHBondContact O-N 3.45Å; W509-E512 PolarHBondContact O-N 2.87Å; W509-S513 VanDerWaalsContact O-CB 3.25Å; W509-S513 WeakPolarHBondContact O-CB 3.27Å; W509-S513 PolarHBondContact O-N 2.72Å; W509-S513 PolarHBondContact O-OG 3.33Å; W509-H549 WeakPolarHBondContact CB-CE1 3.48Å; W509-H549 AromaticContact CD2-NE2 3.52Å; W509-H549 AromaticContact CE3-NE2 3.48Å; W509-H549 AromaticContact CG-CE1 3.68Å; W509-H549 AromaticContact CG-NE2 3.64Å
510	N	67.8	Low	72.8	Confident	36 Å²	36	59.4 Å²	59.4	19%	0.193	29%	0.288	C	S	.	.	H	α-helix	trans	-59.7	-41.9	175.2	-75.6	-31.4	0	0	0	110.9	L467 A468 V506 R507 R508 S513 L514	L467-N510 PolarHBondContact O-ND2 2.98Å; A468-N510 WeakPolarHBondContact CB-ND2 3.48Å; V506-N510 PolarHBondContact O-N 3.42Å; V506-N510 PolarHBondContact O-ND2 2.73Å; R507-N510 WeakPolarHBondContact O-CB 3.23Å; R507-N510 PolarHBondContact O-N 2.96Å; R508-N510 VanDerWaalsContact C-N 3.34Å; R508-N510 PolarHBondContact O-N 3.16Å; N510-S513 PolarHBondContact O-N 2.84Å; N510-S513 PolarHBondContact O-OG 2.63Å; N510-L514 VanDerWaalsContact O-CG 3.29Å; N510-L514 WeakPolarHBondContact O-CG 3.39Å; N510-L514 PolarHBondContact O-N 2.95Å
511	Q	68	Low	71.2	Confident	17 Å²	17	63.5 Å²	63.5	8%	0.079	31%	0.306	C	S	.	.	H	α-helix	trans	-63.1	-50.8	176.1	-67.9	-165.5	-6.1	0	0	112.1	Q93 L95 R507 R508 W509 S513 L514 T515	Q93-Q511 PolarHBondContact O-NE2 3.35Å; L95-Q511 VanDerWaalsContact CD1-CD 3.44Å; L95-Q511 HydrophobicContact CD1-CG 4.25Å; R507-Q511 WeakPolarHBondContact O-CG 3.49Å; R507-Q511 PolarHBondContact O-N 3.22Å; R507-Q511 VanDerWaalsContact O-N 3.12Å; R508-Q511 WeakPolarHBondContact O-CB 3.36Å; R508-Q511 PolarHBondContact O-N 3.28Å; R508-Q511 VanDerWaalsContact O-N 3.15Å; W509-Q511 VanDerWaalsContact C-N 3.25Å; W509-Q511 PolarHBondContact O-N 3.45Å; Q511-S513 VanDerWaalsContact C-N 3.28Å; Q511-S513 PolarHBondContact O-N 3.39Å; Q511-L514 PolarHBondContact O-N 2.79Å; Q511-L514 VanDerWaalsContact O-N 3.1Å; Q511-T515 PolarHBondContact O-N 3.09Å; Q511-T515 PolarHBondContact O-OG1 2.98Å
512	E	68.8	Low	69.5	Low	67 Å²	67	70.5 Å²	70.5	31%	0.313	34%	0.337	S	S	.	.	H	α-helix	trans	-57.3	-41.8	175.8	-70.9	174.4	-170.5	0	0	111.3	R508 W509 L514 T515 V516 R548	R508-E512 IonicContact NE-OE1 3.98Å; R508-E512 PolarHBondContact NE-OE1 3.15Å; R508-E512 WeakPolarHBondContact O-CG 3.29Å; R508-E512 PolarHBondContact O-N 2.74Å; W509-E512 PolarHBondContact O-N 2.87Å; E512-L514 PolarHBondContact O-N 2.96Å; E512-T515 PolarHBondContact O-N 2.98Å; E512-T515 PolarHBondContact O-OG1 3.28Å; E512-T515 VanDerWaalsContact O-OG1 3.08Å; E512-V516 VanDerWaalsContact O-CG2 3.26Å; E512-V516 WeakPolarHBondContact O-CG2 3.4Å; E512-V516 PolarHBondContact O-N 2.94Å; E512-R548 IonicContact OE2-NH1 3.94Å; E512-R548 PolarHBondContact OE2-NH1 3.4Å
513	S	66.4	Low	68.1	Low	36 Å²	36	76.8 Å²	76.8	25%	0.252	36%	0.362	S	S	.	.	H	α-helix	trans	-65.3	-25.3	-179.6	80.7	0	0	0	0	113.1	W509 N510 Q511 K521	W509-S513 VanDerWaalsContact O-CB 3.25Å; W509-S513 WeakPolarHBondContact O-CB 3.27Å; W509-S513 PolarHBondContact O-N 2.72Å; W509-S513 PolarHBondContact O-OG 3.33Å; N510-S513 PolarHBondContact O-N 2.84Å; N510-S513 PolarHBondContact O-OG 2.63Å; Q511-S513 VanDerWaalsContact C-N 3.28Å; Q511-S513 PolarHBondContact O-N 3.39Å; S513-K521 WeakPolarHBondContact O-CE 3.17Å; S513-K521 PolarHBondContact O-NZ 2.67Å
514	L	65.7	Low	66.7	Low	86 Å²	86	81.3 Å²	81.3	45%	0.45	38%	0.383	S	S	.	.	H	α-helix	trans	-84.8	-29.7	179.6	-71.1	167.5	0	0	0	112.4	N510 Q511 E512	N510-L514 VanDerWaalsContact O-CG 3.29Å; N510-L514 WeakPolarHBondContact O-CG 3.39Å; N510-L514 PolarHBondContact O-N 2.95Å; Q511-L514 PolarHBondContact O-N 2.79Å; Q511-L514 VanDerWaalsContact O-N 3.1Å; E512-L514 PolarHBondContact O-N 2.96Å
515	T	61.5	Low	65.5	Low	83 Å²	83	83.4 Å²	83.4	51%	0.509	39%	0.394	S	S	.	.	H	α-helix	trans	-84.2	-23.8	-179.2	55.4	0	0	0	0	113.3	Q104 Q511 E512 S517	Q104-T515 HydrophobicContact CG-CG2 4.47Å; Q511-T515 PolarHBondContact O-N 3.09Å; Q511-T515 PolarHBondContact O-OG1 2.98Å; E512-T515 PolarHBondContact O-N 2.98Å; E512-T515 PolarHBondContact O-OG1 3.28Å; E512-T515 VanDerWaalsContact O-OG1 3.08Å; T515-S517 PolarHBondContact O-N 3.27Å
516	V	63.9	Low	64.1	Low	39 Å²	39	87 Å²	87	24%	0.236	41%	0.408	C	S	.	.	S	Bend	trans	-67.8	122.2	178	-179.7	0	0	0	0	110.8	E512 E520 K521	E512-V516 VanDerWaalsContact O-CG2 3.26Å; E512-V516 WeakPolarHBondContact O-CG2 3.4Å; E512-V516 PolarHBondContact O-N 2.94Å; V516-E520 HydrophobicContact CG1-CB 3.53Å; V516-K521 HydrophobicContact CB-CG 4.27Å; V516-K521 HydrophobicContact CG1-CG 3.69Å; V516-K521 WeakPolarHBondContact O-CE 3.11Å
517	S	60.4	Low	63.1	Low	50 Å²	50	89.5 Å²	89.5	35%	0.35	43%	0.429	S	S	.	.			trans	-56.6	148.9	177.9	70.2	0	0	0	0	111.7	T515 E519 E520 K521	T515-S517 PolarHBondContact O-N 3.27Å; S517-E519 PolarHBondContact O-N 2.86Å; S517-E519 VanDerWaalsContact O-N 3.13Å; S517-E520 PolarHBondContact O-N 3.41Å; S517-E520 VanDerWaalsContact O-N 3.12Å; S517-E520 WeakPolarHBondContact OG-CB 3.21Å; S517-E520 PolarHBondContact OG-N 3.1Å; S517-E520 VanDerWaalsContact OG-N 3.08Å; S517-E520 PolarHBondContact OG-OE2 3.38Å; S517-K521 PolarHBondContact O-N 3.39Å
518	K	61.5	Low	62.1	Low	182 Å²	182	90.7 Å²	90.7	79%	0.791	44%	0.443	S	S	*	.	H	α-helix	trans	-55.1	-32.4	175.5	-76.8	-175.4	179.5	176.4	0	111.8	K522	K518-K522 WeakPolarHBondContact O-CG 3.4Å; K518-K522 PolarHBondContact O-N 2.88Å
519	E	59.5	Low	60.9	Low	139 Å²	139	90.6 Å²	90.6	65%	0.65	45%	0.452	S	S	*	.	H	α-helix	trans	-70.5	-42.8	177.6	-66.3	-168.5	167.1	0	0	112.6	S517 K522 K523	S517-E519 PolarHBondContact O-N 2.86Å; S517-E519 VanDerWaalsContact O-N 3.13Å; E519-K522 WeakPolarHBondContact O-CB 3.45Å; E519-K522 PolarHBondContact O-N 2.98Å; E519-K523 WeakPolarHBondContact O-CG 3.45Å; E519-K523 PolarHBondContact O-N 3.33Å
520	E	64.8	Low	60.2	Low	102 Å²	102	91 Å²	91	48%	0.477	47%	0.465	S	S	.	.	H	α-helix	trans	-66.6	-38.4	173.5	-87.8	161.3	127.3	0	0	112.4	V516 S517 K522 K523 Q524	V516-E520 HydrophobicContact CG1-CB 3.53Å; S517-E520 PolarHBondContact O-N 3.41Å; S517-E520 VanDerWaalsContact O-N 3.12Å; S517-E520 WeakPolarHBondContact OG-CB 3.21Å; S517-E520 PolarHBondContact OG-N 3.1Å; S517-E520 VanDerWaalsContact OG-N 3.08Å; S517-E520 PolarHBondContact OG-OE2 3.38Å; E520-K522 VanDerWaalsContact C-N 3.28Å; E520-K522 PolarHBondContact O-N 3.24Å; E520-K523 PolarHBondContact O-N 2.94Å; E520-Q524 WeakPolarHBondContact O-CB 3.35Å; E520-Q524 VanDerWaalsContact O-CG 3.29Å; E520-Q524 WeakPolarHBondContact O-CG 3.33Å; E520-Q524 PolarHBondContact O-N 2.73Å
521	K	62.4	Low	59.2	Low	87 Å²	87	92.2 Å²	92.2	38%	0.378	48%	0.48	S	S	.	.	H	α-helix	trans	-56.8	-45.5	171.4	-70.5	-176.8	-177.8	174.9	0	110.8	S513 V516 S517 Q524 I525	S513-K521 WeakPolarHBondContact O-CE 3.17Å; S513-K521 PolarHBondContact O-NZ 2.67Å; V516-K521 HydrophobicContact CB-CG 4.27Å; V516-K521 HydrophobicContact CG1-CG 3.69Å; V516-K521 WeakPolarHBondContact O-CE 3.11Å; S517-K521 PolarHBondContact O-N 3.39Å; K521-Q524 PolarHBondContact O-N 2.98Å; K521-I525 WeakPolarHBondContact O-CD1 3.5Å; K521-I525 VanDerWaalsContact O-CG1 3.23Å; K521-I525 WeakPolarHBondContact O-CG1 3.36Å; K521-I525 PolarHBondContact O-N 2.82Å
522	K	59.9	Low	58.2	Low	149 Å²	149	94.8 Å²	94.8	65%	0.648	51%	0.512	S	S	*	.	H	α-helix	trans	-62.6	-43.7	175.8	-79.8	-176.1	176.5	-175.7	0	112.4	K518 E519 E520 I525 F526	K518-K522 WeakPolarHBondContact O-CG 3.4Å; K518-K522 PolarHBondContact O-N 2.88Å; E519-K522 WeakPolarHBondContact O-CB 3.45Å; E519-K522 PolarHBondContact O-N 2.98Å; E520-K522 VanDerWaalsContact C-N 3.28Å; E520-K522 PolarHBondContact O-N 3.24Å; K522-I525 PolarHBondContact O-N 2.48Å; K522-F526 WeakPolarHBondContact O-CB 3.5Å; K522-F526 PolarHBondContact O-N 2.91Å
523	K	62.2	Low	56.8	Low	145 Å²	145	100.6 Å²	100.6	63%	0.63	54%	0.536	S	S	*	.	H	α-helix	trans	-63.8	-39.8	177.4	-73.5	176.4	-178.2	174	0	111.9	E519 E520 F526 A527	E519-K523 WeakPolarHBondContact O-CG 3.45Å; E519-K523 PolarHBondContact O-N 3.33Å; E520-K523 PolarHBondContact O-N 2.94Å; K523-F526 PolarHBondContact O-N 2.84Å; K523-A527 VanDerWaalsContact O-CB 3.27Å; K523-A527 WeakPolarHBondContact O-CB 3.46Å; K523-A527 PolarHBondContact O-N 2.98Å
524	Q	59	Low	55.5	Low	98 Å²	98	109 Å²	109	46%	0.458	57%	0.568	S	S	.	*	H	α-helix	trans	-64.9	-40.9	176.3	-72.8	177.8	16	0	0	112	E520 K521 S528	E520-Q524 WeakPolarHBondContact O-CB 3.35Å; E520-Q524 VanDerWaalsContact O-CG 3.29Å; E520-Q524 WeakPolarHBondContact O-CG 3.33Å; E520-Q524 PolarHBondContact O-N 2.73Å; K521-Q524 PolarHBondContact O-N 2.98Å; Q524-S528 PolarHBondContact O-N 3.46Å
525	I	57.4	Low	53.7	Low	97 Å²	97	116.9 Å²	116.9	50%	0.497	59%	0.592	S	S	.	*	H	α-helix	trans	-67.9	-44.2	175.1	-64.2	162.1	0	0	0	111.1	K521 K522 A527 S528 D529	K521-I525 WeakPolarHBondContact O-CD1 3.5Å; K521-I525 VanDerWaalsContact O-CG1 3.23Å; K521-I525 WeakPolarHBondContact O-CG1 3.36Å; K521-I525 PolarHBondContact O-N 2.82Å; K522-I525 PolarHBondContact O-N 2.48Å; I525-A527 VanDerWaalsContact C-N 3.3Å; I525-A527 PolarHBondContact O-N 3.36Å; I525-S528 PolarHBondContact O-N 2.83Å; I525-S528 PolarHBondContact O-OG 3.21Å; I525-D529 PolarHBondContact O-N 3.02Å; I525-D529 VanDerWaalsContact O-N 3.16Å
526	F	48.9	Very low	52.4	Low	149 Å²	149	117.5 Å²	117.5	65%	0.654	60%	0.599	S	S	*	*	H	α-helix	trans	-64.5	-35.5	177.1	-108.3	-89.4	0	0	0	112.4	K522 K523 S528 D529 V530	K522-F526 WeakPolarHBondContact O-CB 3.5Å; K522-F526 PolarHBondContact O-N 2.91Å; K523-F526 PolarHBondContact O-N 2.84Å; F526-S528 VanDerWaalsContact C-N 3.34Å; F526-D529 PolarHBondContact O-N 3.12Å; F526-V530 HydrophobicContact CD1-CG2 4.4Å; F526-V530 VanDerWaalsContact O-CG2 3.31Å; F526-V530 WeakPolarHBondContact O-CG2 3.14Å; F526-V530 PolarHBondContact O-N 2.52Å; F526-V530 VanDerWaalsContact O-N 3.14Å
527	A	52.8	Low	50.9	Low	56 Å²	56	122 Å²	122	46%	0.463	63%	0.633	S	S	.	*	H	α-helix	trans	-67	-33.2	175.4	0	0	0	0	0	112.3	K523 I525 A531	K523-A527 VanDerWaalsContact O-CB 3.27Å; K523-A527 WeakPolarHBondContact O-CB 3.46Å; K523-A527 PolarHBondContact O-N 2.98Å; I525-A527 VanDerWaalsContact C-N 3.3Å; I525-A527 PolarHBondContact O-N 3.36Å; A527-A531 WeakPolarHBondContact O-CB 3.42Å; A527-A531 PolarHBondContact O-N 2.99Å
528	S	54.2	Low	49.7	Very low	62 Å²	62	124.3 Å²	124.3	43%	0.434	65%	0.649	S	S	.	*	H	α-helix	trans	-71.5	-35.9	175.1	59.2	0	0	0	0	113	Q524 I525 F526	Q524-S528 PolarHBondContact O-N 3.46Å; I525-S528 PolarHBondContact O-N 2.83Å; I525-S528 PolarHBondContact O-OG 3.21Å; F526-S528 VanDerWaalsContact C-N 3.34Å
529	D	46.3	Very low	48.2	Very low	121 Å²	121	120.1 Å²	120.1	65%	0.647	64%	0.643	S	S	*	*	H	α-helix	trans	-80.2	-30.4	-176	-68.3	-14.7	0	0	0	113	I525 F526	I525-D529 PolarHBondContact O-N 3.02Å; I525-D529 VanDerWaalsContact O-N 3.16Å; F526-D529 PolarHBondContact O-N 3.12Å
530	V	52.1	Low	47	Very low	109 Å²	109	118.6 Å²	118.6	66%	0.661	65%	0.647	S	S	*	*	H	α-helix	trans	-83.4	-23	-179.8	177.6	0	0	0	0	112.5	F526 G532	F526-V530 HydrophobicContact CD1-CG2 4.4Å; F526-V530 VanDerWaalsContact O-CG2 3.31Å; F526-V530 WeakPolarHBondContact O-CG2 3.14Å; F526-V530 PolarHBondContact O-N 2.52Å; F526-V530 VanDerWaalsContact O-N 3.14Å; V530-G532 PolarHBondContact O-N 2.92Å; V530-G532 VanDerWaalsContact O-N 3.14Å
531	A	48.1	Very low	45.8	Very low	62 Å²	62	118.1 Å²	118.1	51%	0.512	66%	0.655	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.9	-2	179.2	0	0	0	0	0	114.6	A527 K533	A527-A531 WeakPolarHBondContact O-CB 3.42Å; A527-A531 PolarHBondContact O-N 2.99Å; A531-K533 PolarHBondContact O-N 3.13Å
532	G	46.2	Very low	44.5	Very low	71 Å²	71	119.2 Å²	119.2	73%	0.732	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-1.7	178.6	0	0	0	0	0	116.2	V530	V530-G532 PolarHBondContact O-N 2.92Å; V530-G532 VanDerWaalsContact O-N 3.14Å
533	K	40	Very low	43.2	Very low	190 Å²	190	118 Å²	118	83%	0.826	67%	0.669	S	S	*	*	S	Bend	trans	-139.5	86.3	-178.5	-75.5	-179.4	178.5	172.9	0	112.7	A531	A531-K533 PolarHBondContact O-N 3.13Å
534	K	38	Very low	42.1	Very low	213 Å²	213	116.9 Å²	116.9	93%	0.926	67%	0.666	S	S	*	*			trans	141.2	133.1	146.9	-78.3	177.2	179	-177	0	112.4
535	R	28.8	Very low	41.2	Very low	250 Å²	250	118.4 Å²	118.4	94%	0.943	67%	0.673	S	S	*	*			trans	-71.5	140.1	-174.6	-72.4	173.4	163.3	167	-5.9	113.6
536	S	33.7	Very low	40.7	Very low	96 Å²	96	124.7 Å²	124.7	67%	0.671	69%	0.691	S	S	*	*			trans	-174	112.9	132.7	56.3	0	0	0	0	112	S538	S536-S538 PolarHBondContact O-N 3.26Å
537	S	33.5	Very low	41	Very low	135 Å²	135	123.7 Å²	123.7	94%	0.944	69%	0.686	S	S	*	*	S	Bend	trans	22.7	21.7	153.5	62.4	0	0	0	0	125.2
538	S	33.7	Very low	41.5	Very low	98 Å²	98	127.4 Å²	127.4	69%	0.685	69%	0.688	S	S	*	*			trans	-129.9	22.8	174.3	61.3	0	0	0	0	115.4	S536 S540	S536-S538 PolarHBondContact O-N 3.26Å; S538-S540 PolarHBondContact O-N 3.15Å; S538-S540 VanDerWaalsContact O-N 3.1Å
539	S	31.1	Very low	42.5	Very low	94 Å²	94	125.3 Å²	125.3	66%	0.657	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	29.8	-164.9	75	0	0	0	0	117.3
540	S	34.9	Very low	44.4	Very low	107 Å²	107	120.6 Å²	120.6	75%	0.748	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	-19	-178.5	68.1	0	0	0	0	114.3	S538	S538-S540 PolarHBondContact O-N 3.15Å; S538-S540 VanDerWaalsContact O-N 3.1Å
541	S	37.9	Very low	46.2	Very low	91 Å²	91	117.9 Å²	117.9	64%	0.636	63%	0.628	S	S	*	*	S	Bend	trans	-85.5	-21.6	-170.1	61.9	0	0	0	0	115.4
542	L	36.1	Very low	48.3	Very low	110 Å²	110	117.8 Å²	117.8	58%	0.576	62%	0.617	S	S	*	*	S	Bend	trans	-93.1	-12.8	-166.9	-74.5	160.7	0	0	0	115
543	V	32.1	Very low	50.5	Low	125 Å²	125	117.8 Å²	117.8	76%	0.758	60%	0.599	S	S	*	*	S	Bend	trans	-88.4	-5.8	-178.2	-176	0	0	0	0	112.7
544	H	39.2	Very low	53.1	Low	121 Å²	121	109 Å²	109	56%	0.56	56%	0.561	S	S	*	*			trans	-93.9	-1.3	-164.3	-108.7	79.8	0	0	0	117.3	R546	H544-R546 PolarHBondContact O-N 2.88Å
545	Q	39.5	Very low	55.7	Low	130 Å²	130	103.1 Å²	103.1	61%	0.607	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-30.1	-173.6	-78.6	-175.2	-20.3	0	0	114.4
546	R	46.8	Very low	58.6	Low	228 Å²	228	93.1 Å²	93.1	86%	0.86	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-9.7	-176.8	-77.7	-176.1	175.8	175	-0.9	115.3	H544	H544-R546 PolarHBondContact O-N 2.88Å
547	K	55.4	Low	61.6	Low	128 Å²	128	89 Å²	89	56%	0.557	49%	0.49	S	S	*	.			trans	-112.4	4.2	-173.2	-75	-170.1	177.1	-172.6	0	115.1	H549 L550	K547-H549 PolarHBondContact O-N 2.87Å; K547-L550 PolarHBondContact O-N 2.76Å; K547-L550 VanDerWaalsContact O-N 3.08Å
548	R	63	Low	64.6	Low	135 Å²	135	87.2 Å²	87.2	51%	0.509	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-14.4	-173.1	-85.3	-174.4	166.4	-173.5	-4.5	116.2	E512	E512-R548 IonicContact OE2-NH1 3.94Å; E512-R548 PolarHBondContact OE2-NH1 3.4Å
549	H	76.7	Confident	67.6	Low	17 Å²	17	85.2 Å²	85.2	8%	0.079	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	-19.1	178.7	-58.6	-38.3	0	0	0	113.9	W501 S502 E505 V506 W509 K547 L551	W501-H549 WeakPolarHBondContact CA-O 3.19Å; W501-H549 HydrophobicContact CE3-CB 4.15Å; S502-H549 PolarHBondContact N-O 3.19Å; E505-H549 PolarHBondContact O-CE1 3.44Å; E505-H549 VanDerWaalsContact O-CE1 3.26Å; E505-H549 PolarHBondContact O-ND1 2.99Å; V506-H549 WeakPolarHBondContact CA-CE1 3.03Å; V506-H549 VanDerWaalsContact CA-ND1 3.29Å; V506-H549 WeakPolarHBondContact CA-ND1 3.46Å; V506-H549 HydrophobicContact CG2-CB 3.65Å; V506-H549 VanDerWaalsContact CG2-CG 3.48Å; V506-H549 PolarHBondContact N-ND1 3.49Å; W509-H549 WeakPolarHBondContact CB-CE1 3.48Å; W509-H549 AromaticContact CD2-NE2 3.52Å; W509-H549 AromaticContact CE3-NE2 3.48Å; W509-H549 AromaticContact CG-CE1 3.68Å; W509-H549 AromaticContact CG-NE2 3.64Å; K547-H549 PolarHBondContact O-N 2.87Å; H549-L551 PolarHBondContact O-N 2.86Å
550	L	86.4	Confident	70.7	Confident	23 Å²	23	80.9 Å²	80.9	12%	0.12	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	106.4	-177.8	177.8	64	0	0	0	107.3	K499 W501 K547 H552 D553	K499-L550 HydrophobicContact CB-CD1 3.6Å; K499-L550 HydrophobicContact CD-CD1 3.85Å; K499-L550 HydrophobicContact CD-CD2 4.39Å; K499-L550 HydrophobicContact CG-CD1 3.79Å; W501-L550 HydrophobicContact CD2-CD1 4.43Å; W501-L550 HydrophobicContact CE3-CB 4.08Å; W501-L550 HydrophobicContact CE3-CD1 4.18Å; W501-L550 HydrophobicContact CH2-CB 4.48Å; W501-L550 HydrophobicContact CH2-CD1 4.1Å; W501-L550 HydrophobicContact CZ2-CD1 4.33Å; W501-L550 HydrophobicContact CZ3-CB 3.76Å; W501-L550 HydrophobicContact CZ3-CD1 4.02Å; W501-L550 HydrophobicContact CZ3-CG 4.45Å; K547-L550 PolarHBondContact O-N 2.76Å; K547-L550 VanDerWaalsContact O-N 3.08Å; L550-H552 WeakPolarHBondContact CD1-O 3.23Å; L550-D553 HydrophobicContact CD2-CB 4.31Å
551	L	89	Confident	73.7	Confident	52 Å²	52	75.8 Å²	75.8	27%	0.272	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	-53.7	175.2	-72.1	178.7	0	0	0	110.4	P140 L488 V500 E505 H549	P140-L551 HydrophobicContact CB-CD1 3.98Å; P140-L551 HydrophobicContact CG-CD1 4.39Å; L488-L551 HydrophobicContact CD2-CD1 3.56Å; V500-L551 HydrophobicContact CG1-CD1 4.39Å; V500-L551 PolarHBondContact O-N 3.4Å; E505-L551 WeakPolarHBondContact OE1-CD2 3.4Å; E505-L551 WeakPolarHBondContact OE2-CD2 3.47Å; H549-L551 PolarHBondContact O-N 2.86Å
552	H	91.8	Very high	76.5	Confident	60 Å²	60	74.5 Å²	74.5	28%	0.278	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	133.4	-176.8	-60	-58	0	0	0	111	V141 V500 L550 L554	V141-H552 PolarHBondContact O-CD2 2.6Å; V500-H552 HydrophobicContact CB-CB 4.28Å; V500-H552 HydrophobicContact CG2-CB 4.21Å; V500-H552 PolarHBondContact N-O 3.34Å; V500-H552 PolarHBondContact O-N 3.25Å; L550-H552 WeakPolarHBondContact CD1-O 3.23Å; H552-L554 HydrophobicContact CB-CD2 4.14Å; H552-L554 HydrophobicContact CB-CG 4.47Å
553	D	93.3	Very high	79.5	Confident	70 Å²	70	69.3 Å²	69.3	37%	0.374	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	121.9	165.2	-160.7	-3.4	0	0	0	107.6	K499 L550 P555	K499-D553 IonicContact NZ-OD1 3.91Å; K499-D553 PolarHBondContact NZ-OD1 3.36Å; K499-D553 IonicContact NZ-OD2 3.82Å; K499-D553 PolarHBondContact NZ-OD2 3.18Å; L550-D553 HydrophobicContact CD2-CB 4.31Å; D553-P555 WeakPolarHBondContact O-CD 3.42Å
554	L	94.2	Very high	82.6	Confident	5 Å²	5	64 Å²	64	3%	0.026	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	79.4	-175.2	-58.2	178.1	0	0	0	109.2	V141 T142 V498 V500 H552 W585	V141-L554 HydrophobicContact CG2-CD1 3.84Å; T142-L554 VanDerWaalsContact O-CD2 3.28Å; T142-L554 WeakPolarHBondContact O-CD2 3.33Å; V498-L554 HydrophobicContact CB-CB 4.07Å; V498-L554 HydrophobicContact CG1-CD1 4.18Å; V498-L554 PolarHBondContact N-O 2.84Å; V498-L554 VanDerWaalsContact N-O 3.12Å; V498-L554 WeakPolarHBondContact O-CA 3.36Å; V498-L554 VanDerWaalsContact O-CB 3.22Å; V498-L554 WeakPolarHBondContact O-CB 3.32Å; V498-L554 PolarHBondContact O-N 3.03Å; V500-L554 HydrophobicContact CG2-CD1 3.7Å; V500-L554 HydrophobicContact CG2-CG 4.28Å; H552-L554 HydrophobicContact CB-CD2 4.14Å; H552-L554 HydrophobicContact CB-CG 4.47Å; L554-W585 HydrophobicContact CB-CD2 4.35Å; L554-W585 HydrophobicContact CB-CE3 3.79Å; L554-W585 HydrophobicContact CB-CH2 3.95Å; L554-W585 HydrophobicContact CB-CZ2 4.48Å; L554-W585 HydrophobicContact CB-CZ3 3.59Å; L554-W585 HydrophobicContact CD1-CB 4.38Å; L554-W585 HydrophobicContact CD1-CD2 4.02Å; L554-W585 HydrophobicContact CD1-CE3 3.89Å; L554-W585 HydrophobicContact CD1-CG 4.23Å; L554-W585 HydrophobicContact CD2-CE3 4.13Å; L554-W585 HydrophobicContact CD2-CZ3 4.38Å; L554-W585 HydrophobicContact CG-CE3 4.16Å; L554-W585 HydrophobicContact CG-CZ3 4.39Å
555	P	93.3	Very high	85.4	Confident	90 Å²	90	58.6 Å²	58.6	58%	0.584	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.9	153.4	172.2	32.6	-35.7	0	0	0	110.1	D553	D553-P555 WeakPolarHBondContact O-CD 3.42Å
556	G	89.8	Confident	88.1	Confident	41 Å²	41	52.5 Å²	52.5	42%	0.423	26%	0.262	S	S	.	.			trans	158	-20.9	167.9	0	0	0	0	0	115.3	K583	G556-K583 WeakPolarHBondContact O-CE 3.03Å; G556-K583 PolarHBondContact O-NZ 2.77Å
557	H	96.3	Very high	90.3	Very high	9 Å²	9	41.7 Å²	41.7	4%	0.042	22%	0.222	C	C	.	.			trans	-70.8	149.2	168.4	-77.6	-77.7	0	0	0	109.7	S496 V561 S575 D579	S496-H557 WeakPolarHBondContact CB-O 3.48Å; H557-V561 HydrophobicContact CB-CG2 3.85Å; H557-V561 VanDerWaalsContact CD2-CG2 3.43Å; H557-V561 WeakPolarHBondContact CD2-CG2 3.15Å; H557-S575 PolarHBondContact NE2-OG 3.23Å; H557-D579 WeakPolarHBondContact CA-OD2 3.49Å; H557-D579 WeakPolarHBondContact CB-OD2 3.38Å; H557-D579 IonicContact CE1-OD1 3.6Å; H557-D579 IonicContact CE1-OD2 2.95Å; H557-D579 IonicContact CG-OD2 3.71Å; H557-D579 IonicContact ND1-OD1 3.17Å; H557-D579 PolarHBondContact ND1-OD1 2.84Å; H557-D579 IonicContact ND1-OD2 3.56Å; H557-D579 PolarHBondContact ND1-OD2 3Å
558	S	95.8	Very high	92	Very high	98 Å²	98	35.9 Å²	35.9	69%	0.685	20%	0.197	S	C	*	.	S	Bend	trans	-95.4	-6.5	178	57.9	0	0	0	0	113.5	D579	S558-D579 PolarHBondContact N-OD2 3.46Å; S558-D579 WeakPolarHBondContact OG-CB 3.4Å
559	D	96.6	Very high	93.2	Very high	55 Å²	55	31 Å²	31	29%	0.294	18%	0.181	S	C	.	.	S	Bend	trans	-151.5	-177.1	-179.6	-154.4	-31.4	0	0	0	109.3	S496 K578 D579	S496-D559 WeakPolarHBondContact CA-O 3.43Å; S496-D559 VanDerWaalsContact CB-O 3.27Å; S496-D559 WeakPolarHBondContact CB-O 3.22Å; D559-K578 HydrophobicContact CB-CB 3.95Å; D559-K578 HydrophobicContact CB-CG 4.39Å; D559-K578 IonicContact OD1-NZ 3.03Å; D559-K578 PolarHBondContact OD1-NZ 2.67Å; D559-K578 WeakPolarHBondContact OD2-CG 3.12Å; D559-K578 IonicContact OD2-NZ 3.34Å; D559-K578 PolarHBondContact OD2-NZ 3.29Å; D559-D579 HydrophobicContact CB-CB 4.22Å
560	A	97.2	Very high	93.9	Very high	3 Å²	3	30.5 Å²	30.5	3%	0.025	18%	0.18	C	C	.	.			trans	-54.9	139.8	-177.4	0	0	0	0	0	113.9	Y478 K494 Y562 G577 K578	Y478-A560 HydrophobicContact CE2-CB 4.17Å; K494-A560 HydrophobicContact CB-CB 4.42Å; K494-A560 HydrophobicContact CG-CB 4.18Å; A560-Y562 HydrophobicContact CB-CD1 4.42Å; A560-Y562 HydrophobicContact CB-CE1 3.65Å; A560-G577 CarbonylContact O-C 3.57Å; A560-G577 WeakPolarHBondContact O-CA 3.4Å; A560-K578 PolarHBondContact O-N 3.41Å
561	V	97.8	Very high	94.1	Very high	0 Å²	0	32 Å²	32	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	112.5	-178.4	-171.8	0	0	0	0	110.6	Y478 C492 S493 V498 H557	Y478-V561 WeakPolarHBondContact CD2-O 3.42Å; C492-V561 HydrophobicContact CB-CB 3.89Å; C492-V561 HydrophobicContact CB-CG1 3.57Å; C492-V561 PolarHBondContact SG-O 3.36Å; S493-V561 PolarHBondContact O-N 2.83Å; S493-V561 VanDerWaalsContact O-N 3.1Å; V498-V561 HydrophobicContact CG2-CG1 4.36Å; H557-V561 HydrophobicContact CB-CG2 3.85Å; H557-V561 VanDerWaalsContact CD2-CG2 3.43Å; H557-V561 WeakPolarHBondContact CD2-CG2 3.15Å
562	Y	97.1	Very high	94.3	Very high	64 Å²	64	30.1 Å²	30.1	25%	0.251	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-24.6	-173.6	-57.7	-42.2	0	0	0	114.4	A154 L156 Y478 L479 A560 G576 K578	A154-Y562 HydrophobicContact CB-CD2 4.47Å; A154-Y562 HydrophobicContact CB-CE2 4.35Å; L156-Y562 HydrophobicContact CD2-CD2 4.3Å; Y478-Y562 AromaticContact CD2-CD1 3.96Å; Y478-Y562 HydrophobicContact CD2-CD1 3.96Å; Y478-Y562 HydrophobicContact CD2-CE1 4.37Å; Y478-Y562 AromaticContact CE2-CD1 3.74Å; Y478-Y562 HydrophobicContact CE2-CD1 3.74Å; Y478-Y562 AromaticContact CE2-CE1 3.68Å; Y478-Y562 HydrophobicContact CE2-CE1 3.68Å; Y478-Y562 HydrophobicContact CG-CD1 4.47Å; Y478-Y562 AromaticContact CZ-CE1 3.8Å; L479-Y562 WeakPolarHBondContact CD1-O 3.36Å; A560-Y562 HydrophobicContact CB-CD1 4.42Å; A560-Y562 HydrophobicContact CB-CE1 3.65Å; Y562-G576 PolarHBondContact N-O 3.35Å; Y562-K578 HydrophobicContact CD2-CB 4.47Å; Y562-K578 HydrophobicContact CE2-CB 3.63Å; Y562-K578 HydrophobicContact CE2-CD 4.31Å; Y562-K578 HydrophobicContact CE2-CG 4.36Å; Y562-K578 VanDerWaalsContact OH-CD 3.31Å; Y562-K578 WeakPolarHBondContact OH-CD 3.39Å
563	A	97.3	Very high	94.5	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.008	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	135.8	-177.9	0	0	0	0	0	109.8	V155 A158 S575 G576	V155-A563 HydrophobicContact CG1-CB 4.16Å; A158-A563 HydrophobicContact CB-CB 3.89Å; A563-S575 CarbonylContact O-C 3.55Å; A563-S575 VanDerWaalsContact O-CA 3.24Å; A563-S575 WeakPolarHBondContact O-CA 3.16Å; A563-G576 PolarHBondContact N-O 2.62Å; A563-G576 PolarHBondContact O-N 3.42Å
564	L	97.7	Very high	94.7	Very high	14 Å²	14	24 Å²	24	7%	0.073	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	135.7	179	-179.4	73.8	0	0	0	109.4	L479 V490 C492 V498 V573 V574	L479-L564 HydrophobicContact CB-CB 4.05Å; L479-L564 HydrophobicContact CB-CD2 4.39Å; L479-L564 HydrophobicContact CD1-CB 4.13Å; V490-L564 HydrophobicContact CB-CD2 4.4Å; V490-L564 HydrophobicContact CG1-CD1 3.68Å; V490-L564 HydrophobicContact CG1-CD2 4Å; V490-L564 HydrophobicContact CG1-CG 4.38Å; V490-L564 WeakPolarHBondContact O-CD2 3.39Å; C492-L564 HydrophobicContact CB-CB 4.1Å; C492-L564 HydrophobicContact CB-CD1 4.3Å; C492-L564 HydrophobicContact CB-CD2 4.12Å; C492-L564 HydrophobicContact CB-CG 4.4Å; V498-L564 HydrophobicContact CG1-CD1 4.23Å; L564-V573 HydrophobicContact CD1-CG1 3.77Å; L564-V574 WeakPolarHBondContact CA-O 3.33Å
565	D	97.6	Very high	94.8	Very high	7 Å²	7	23.7 Å²	23.7	4%	0.037	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	154.3	170.6	-169.7	27.9	0	0	0	111	Q159 F160 R356 V573 V574	Q159-D565 VanDerWaalsContact CA-OD2 3.31Å; Q159-D565 WeakPolarHBondContact CA-OD2 3.33Å; F160-D565 HydrophobicContact CD2-CB 4.08Å; F160-D565 WeakPolarHBondContact CD2-OD2 3.46Å; F160-D565 HydrophobicContact CE2-CB 4.49Å; F160-D565 PolarHBondContact N-OD2 3.44Å; R356-D565 IonicContact CZ-OD1 3.83Å; R356-D565 IonicContact CZ-OD2 2.72Å; R356-D565 IonicContact NH1-OD1 3.44Å; R356-D565 PolarHBondContact NH1-OD1 3.37Å; R356-D565 IonicContact NH1-OD2 3.34Å; R356-D565 PolarHBondContact NH1-OD2 3.31Å; R356-D565 IonicContact NH2-OD1 2.71Å; R356-D565 PolarHBondContact NH2-OD1 3.46Å; R356-D565 IonicContact NH2-OD2 3.97Å; R356-D565 PolarHBondContact NH2-OD2 3.14Å; D565-V573 WeakPolarHBondContact O-CA 3.26Å; D565-V574 HydrophobicContact CB-CG1 3.73Å; D565-V574 PolarHBondContact N-O 3.09Å; D565-V574 VanDerWaalsContact N-O 3.11Å; D565-V574 PolarHBondContact O-N 2.85Å
566	W	96.1	Very high	95	Very high	3 Å²	3	19.4 Å²	19.4	1%	0.011	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	129.3	174	-156	-36.7	0	0	0	108.7	V138 S481 L488 V490 G570 Y572 V573	V138-W566 HydrophobicContact CG1-CH2 4.4Å; V138-W566 HydrophobicContact CG1-CZ2 3.52Å; S481-W566 WeakPolarHBondContact OG-CB 3.3Å; S481-W566 PolarHBondContact OG-N 3.13Å; L488-W566 HydrophobicContact CB-CH2 3.58Å; L488-W566 HydrophobicContact CB-CZ3 3.75Å; L488-W566 HydrophobicContact CD1-CH2 3.7Å; L488-W566 HydrophobicContact CD1-CZ2 4.29Å; L488-W566 HydrophobicContact CG-CH2 4.3Å; V490-W566 HydrophobicContact CB-CE3 4.27Å; V490-W566 HydrophobicContact CB-CZ3 4.29Å; V490-W566 HydrophobicContact CG2-CD2 4.43Å; V490-W566 HydrophobicContact CG2-CE3 3.53Å; V490-W566 HydrophobicContact CG2-CH2 3.91Å; V490-W566 HydrophobicContact CG2-CZ3 3.24Å; W566-G570 PolarHBondContact NE1-O 2.98Å; W566-Y572 VanDerWaalsContact CD1-O 3.26Å; W566-V573 HydrophobicContact CB-CG2 4.31Å; W566-V573 HydrophobicContact CD2-CG2 3.59Å; W566-V573 HydrophobicContact CE3-CG2 4.13Å; W566-V573 HydrophobicContact CG-CG2 3.7Å; W566-V573 HydrophobicContact CZ2-CG2 4.27Å
567	S	94.1	Very high	95.3	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.007	10%	0.096	C	C	.	.			trans	-59	140.9	177.5	64	0	0	0	0	111.4	F160 D569 G570 Q571 Y572	F160-S567 VanDerWaalsContact CD2-N 3.29Å; S567-D569 WeakPolarHBondContact CB-OD1 3.34Å; S567-D569 PolarHBondContact O-N 3.43Å; S567-D569 PolarHBondContact OG-OD1 3.38Å; S567-G570 WeakPolarHBondContact O-CA 3.35Å; S567-G570 PolarHBondContact O-N 3.37Å; S567-Q571 PolarHBondContact OG-N 2.9Å; S567-Y572 WeakPolarHBondContact CB-O 3.19Å; S567-Y572 PolarHBondContact N-O 3.29Å; S567-Y572 PolarHBondContact OG-N 2.9Å; S567-Y572 PolarHBondContact OG-O 3.05Å
568	P	91.9	Very high	95.3	Very high	5 Å²	5	21.8 Å²	21.8	3%	0.032	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-33.1	178.3	-29.6	37.4	0	0	0	114.4	P162 Y353 T357 P362 S484 G570	P162-P568 WeakPolarHBondContact O-CG 3.46Å; Y353-P568 WeakPolarHBondContact OH-CA 3.36Å; T357-P568 HydrophobicContact CG2-CB 4Å; T357-P568 HydrophobicContact CG2-CG 4.13Å; P362-P568 WeakPolarHBondContact CB-O 3.35Å; S484-P568 VanDerWaalsContact CB-O 3.26Å; S484-P568 WeakPolarHBondContact CB-O 3.27Å; S484-P568 PolarHBondContact OG-O 3.26Å; P568-G570 PolarHBondContact O-N 3.34Å
569	D	88	Confident	95.3	Very high	34 Å²	34	17.8 Å²	17.8	18%	0.182	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-6.8	174.5	71.4	-2.5	0	0	0	113.9	A365 S567 Q571	A365-D569 HydrophobicContact CB-CB 3.78Å; S567-D569 WeakPolarHBondContact CB-OD1 3.34Å; S567-D569 PolarHBondContact O-N 3.43Å; S567-D569 PolarHBondContact OG-OD1 3.38Å; D569-Q571 VanDerWaalsContact C-N 3.27Å; D569-Q571 HydrophobicContact CB-CG 4.46Å; D569-Q571 PolarHBondContact O-N 2.85Å; D569-Q571 PolarHBondContact OD1-N 3.48Å
570	G	90.6	Very high	95.2	Very high	6 Å²	6	21.6 Å²	21.6	6%	0.062	10%	0.096	C	C	.	.	S	Bend	trans	76.6	-2.1	179.3	0	0	0	0	0	115.8	V138 W566 S567 P568	V138-G570 WeakPolarHBondContact CG1-O 3.38Å; W566-G570 PolarHBondContact NE1-O 2.98Å; S567-G570 WeakPolarHBondContact O-CA 3.35Å; S567-G570 PolarHBondContact O-N 3.37Å; P568-G570 PolarHBondContact O-N 3.34Å
571	Q	90	Very high	95.1	Very high	54 Å²	54	23.7 Å²	23.7	25%	0.252	11%	0.106	S	C	.	.	S	Bend	trans	-80.3	-33.1	-170.2	-63	-170.6	12.9	0	0	114.7	S567 D569	S567-Q571 PolarHBondContact OG-N 2.9Å; D569-Q571 VanDerWaalsContact C-N 3.27Å; D569-Q571 HydrophobicContact CB-CG 4.46Å; D569-Q571 PolarHBondContact O-N 2.85Å; D569-Q571 PolarHBondContact OD1-N 3.48Å
572	Y	93.2	Very high	94.9	Very high	13 Å²	13	23.8 Å²	23.8	5%	0.051	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	142.6	-172.4	-69.9	-85.6	0	0	0	111.3	E184 W566 S567 L584 W585 R586	E184-Y572 PolarHBondContact OE1-OH 2.69Å; W566-Y572 VanDerWaalsContact CD1-O 3.26Å; S567-Y572 WeakPolarHBondContact CB-O 3.19Å; S567-Y572 PolarHBondContact N-O 3.29Å; S567-Y572 PolarHBondContact OG-N 2.9Å; S567-Y572 PolarHBondContact OG-O 3.05Å; Y572-L584 HydrophobicContact CD1-CB 4.31Å; Y572-W585 WeakPolarHBondContact CA-O 3.32Å; Y572-R586 HydrophobicContact CD1-CB 4.37Å; Y572-R586 HydrophobicContact CE1-CB 4.31Å; Y572-R586 HydrophobicContact CE1-CG 4.44Å; Y572-R586 PolarHBondContact OH-NH1 3.16Å
573	V	96.8	Very high	94.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	138.2	161.3	170.3	0	0	0	0	107.1	V141 V490 L564 D565 W566 L584 W585	V141-V573 HydrophobicContact CB-CG2 4.47Å; V141-V573 HydrophobicContact CG1-CB 4.31Å; V141-V573 HydrophobicContact CG1-CG2 3.84Å; V141-V573 HydrophobicContact CG2-CB 4.19Å; V141-V573 HydrophobicContact CG2-CG2 3.77Å; V490-V573 HydrophobicContact CG1-CG1 4.13Å; V490-V573 HydrophobicContact CG2-CG2 4.06Å; L564-V573 HydrophobicContact CD1-CG1 3.77Å; D565-V573 WeakPolarHBondContact O-CA 3.26Å; W566-V573 HydrophobicContact CB-CG2 4.31Å; W566-V573 HydrophobicContact CD2-CG2 3.59Å; W566-V573 HydrophobicContact CE3-CG2 4.13Å; W566-V573 HydrophobicContact CG-CG2 3.7Å; W566-V573 HydrophobicContact CZ2-CG2 4.27Å; V573-L584 CarbonylContact O-C 3.5Å; V573-L584 WeakPolarHBondContact O-CA 3.46Å; V573-W585 HydrophobicContact CB-CB 4.16Å; V573-W585 PolarHBondContact N-O 3.34Å; V573-W585 VanDerWaalsContact O-CD1 3.32Å; V573-W585 PolarHBondContact O-N 2.72Å
574	V	96.5	Very high	94.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	138.7	171.4	65.8	0	0	0	0	109	A158 F160 L167 L564 D565 L582 K583 L584	A158-V574 HydrophobicContact CB-CG1 3.96Å; A158-V574 HydrophobicContact CB-CG2 4.08Å; F160-V574 HydrophobicContact CD2-CG1 4.01Å; F160-V574 HydrophobicContact CE2-CB 3.71Å; F160-V574 HydrophobicContact CE2-CG1 3.45Å; F160-V574 VanDerWaalsContact CE2-CG1 3.45Å; F160-V574 HydrophobicContact CZ-CB 3.75Å; F160-V574 HydrophobicContact CZ-CG1 3.99Å; L167-V574 HydrophobicContact CD1-CB 4.1Å; L167-V574 HydrophobicContact CD1-CG1 3.81Å; L167-V574 HydrophobicContact CD1-CG2 4.04Å; L167-V574 HydrophobicContact CD2-CB 4.11Å; L167-V574 HydrophobicContact CD2-CG2 3.62Å; L167-V574 HydrophobicContact CG-CG2 4.45Å; L564-V574 WeakPolarHBondContact CA-O 3.33Å; D565-V574 HydrophobicContact CB-CG1 3.73Å; D565-V574 PolarHBondContact N-O 3.09Å; D565-V574 VanDerWaalsContact N-O 3.11Å; D565-V574 PolarHBondContact O-N 2.85Å; V574-L582 HydrophobicContact CG2-CD2 3.73Å; V574-K583 CarbonylContact C-O 3.53Å; V574-K583 WeakPolarHBondContact CA-O 3.2Å; V574-L584 HydrophobicContact CB-CD2 4.05Å; V574-L584 HydrophobicContact CG2-CD2 4.13Å
575	S	97.7	Very high	94.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	148	165.5	63.7	0	0	0	0	111.5	H557 A563 L582 K583 W585	H557-S575 PolarHBondContact NE2-OG 3.23Å; A563-S575 CarbonylContact O-C 3.55Å; A563-S575 VanDerWaalsContact O-CA 3.24Å; A563-S575 WeakPolarHBondContact O-CA 3.16Å; S575-L582 CarbonylContact O-C 3.58Å; S575-L582 WeakPolarHBondContact O-CA 3.03Å; S575-K583 PolarHBondContact N-O 2.77Å; S575-K583 PolarHBondContact O-N 2.91Å; S575-W585 PolarHBondContact OG-NE1 2.79Å
576	G	96.9	Very high	94.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	149	178.3	0	0	0	0	0	110.8	Y562 A563 I581	Y562-G576 PolarHBondContact N-O 3.35Å; A563-G576 PolarHBondContact N-O 2.62Å; A563-G576 PolarHBondContact O-N 3.42Å; G576-I581 WeakPolarHBondContact CA-O 3.49Å
577	G	95.4	Very high	94	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	-164.5	-172.1	0	0	0	0	0	115.5	A154 V155 A560 D579 R580	A154-G577 WeakPolarHBondContact CA-O 3.15Å; V155-G577 PolarHBondContact N-O 2.9Å; A560-G577 CarbonylContact O-C 3.57Å; A560-G577 WeakPolarHBondContact O-CA 3.4Å; G577-D579 PolarHBondContact O-N 2.88Å; G577-R580 PolarHBondContact O-N 2.91Å; G577-R580 VanDerWaalsContact O-N 3.15Å
578	K	96.6	Very high	93.9	Very high	100 Å²	100	28.8 Å²	28.8	44%	0.435	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-22.6	178.3	-174	158.4	160.2	-96.5	0	113.1	D559 A560 Y562 R580	D559-K578 HydrophobicContact CB-CB 3.95Å; D559-K578 HydrophobicContact CB-CG 4.39Å; D559-K578 IonicContact OD1-NZ 3.03Å; D559-K578 PolarHBondContact OD1-NZ 2.67Å; D559-K578 WeakPolarHBondContact OD2-CG 3.12Å; D559-K578 IonicContact OD2-NZ 3.34Å; D559-K578 PolarHBondContact OD2-NZ 3.29Å; A560-K578 PolarHBondContact O-N 3.41Å; Y562-K578 HydrophobicContact CD2-CB 4.47Å; Y562-K578 HydrophobicContact CE2-CB 3.63Å; Y562-K578 HydrophobicContact CE2-CD 4.31Å; Y562-K578 HydrophobicContact CE2-CG 4.36Å; Y562-K578 VanDerWaalsContact OH-CD 3.31Å; Y562-K578 WeakPolarHBondContact OH-CD 3.39Å; K578-R580 PolarHBondContact O-N 3Å
579	D	95.8	Very high	94.1	Very high	14 Å²	14	30.1 Å²	30.1	8%	0.075	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-7.7	173.3	65.9	-2.7	0	0	0	114	H557 S558 D559 G577 I581	H557-D579 WeakPolarHBondContact CA-OD2 3.49Å; H557-D579 WeakPolarHBondContact CB-OD2 3.38Å; H557-D579 IonicContact CE1-OD1 3.6Å; H557-D579 IonicContact CE1-OD2 2.95Å; H557-D579 IonicContact CG-OD2 3.71Å; H557-D579 IonicContact ND1-OD1 3.17Å; H557-D579 PolarHBondContact ND1-OD1 2.84Å; H557-D579 IonicContact ND1-OD2 3.56Å; H557-D579 PolarHBondContact ND1-OD2 3Å; S558-D579 PolarHBondContact N-OD2 3.46Å; S558-D579 WeakPolarHBondContact OG-CB 3.4Å; D559-D579 HydrophobicContact CB-CB 4.22Å; G577-D579 PolarHBondContact O-N 2.88Å; D579-I581 PolarHBondContact O-N 3.31Å; D579-I581 PolarHBondContact OD1-N 3.22Å; D579-I581 VanDerWaalsContact OD1-N 3.14Å
580	R	95.2	Very high	94.4	Very high	135 Å²	135	29.8 Å²	29.8	51%	0.509	14%	0.139	S	C	.	.	S	Bend	trans	72.1	12.6	177	-41.8	168.3	-77.5	-169.4	-3.3	113.7	H151 K152 G153 G577 K578	H151-R580 WeakPolarHBondContact O-CB 3.41Å; K152-R580 WeakPolarHBondContact O-CD 3.47Å; G153-R580 WeakPolarHBondContact O-CB 3.22Å; G153-R580 WeakPolarHBondContact O-CG 3.06Å; G577-R580 PolarHBondContact O-N 2.91Å; G577-R580 VanDerWaalsContact O-N 3.15Å; K578-R580 PolarHBondContact O-N 3Å
581	I	93.8	Very high	94.6	Very high	47 Å²	47	31.2 Å²	31.2	24%	0.241	14%	0.144	C	C	.	.			trans	-107.2	140.4	-177.3	-63.8	169.8	0	0	0	108.4	G576 D579 K583	G576-I581 WeakPolarHBondContact CA-O 3.49Å; D579-I581 PolarHBondContact O-N 3.31Å; D579-I581 PolarHBondContact OD1-N 3.22Å; D579-I581 VanDerWaalsContact OD1-N 3.14Å; I581-K583 HydrophobicContact CG2-CG 4.17Å
582	L	94.5	Very high	94.9	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	138.2	161.1	-84.1	92.5	0	0	0	109.6	S147 I148 V155 A158 L167 W179 V574 S575	S147-L582 CarbonylContact C-O 3.57Å; S147-L582 WeakPolarHBondContact CA-O 3.49Å; I148-L582 PolarHBondContact N-O 3.48Å; I148-L582 PolarHBondContact O-N 2.87Å; I148-L582 VanDerWaalsContact O-N 3.16Å; V155-L582 HydrophobicContact CB-CD1 4.46Å; V155-L582 HydrophobicContact CG1-CD1 3.99Å; V155-L582 HydrophobicContact CG1-CG 4.3Å; V155-L582 HydrophobicContact CG2-CD1 3.63Å; V155-L582 HydrophobicContact CG2-CG 4.4Å; A158-L582 HydrophobicContact CB-CD2 4.32Å; L167-L582 HydrophobicContact CD2-CD2 4.19Å; W179-L582 HydrophobicContact CH2-CD1 4.29Å; W179-L582 HydrophobicContact CZ2-CD1 3.57Å; W179-L582 HydrophobicContact CZ2-CD2 4.46Å; W179-L582 HydrophobicContact CZ2-CG 4.5Å; V574-L582 HydrophobicContact CG2-CD2 3.73Å; S575-L582 CarbonylContact O-C 3.58Å; S575-L582 WeakPolarHBondContact O-CA 3.03Å
583	K	95.2	Very high	95	Very high	19 Å²	19	30.9 Å²	30.9	8%	0.083	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	133.2	171.1	-68.7	-177.7	-177.1	-92.1	0	109.6	S146 S147 G556 V574 S575 I581 W585	S146-K583 WeakPolarHBondContact O-CA 3.41Å; S147-K583 PolarHBondContact OG-NZ 3.15Å; G556-K583 WeakPolarHBondContact O-CE 3.03Å; G556-K583 PolarHBondContact O-NZ 2.77Å; V574-K583 CarbonylContact C-O 3.53Å; V574-K583 WeakPolarHBondContact CA-O 3.2Å; S575-K583 PolarHBondContact N-O 2.77Å; S575-K583 PolarHBondContact O-N 2.91Å; I581-K583 HydrophobicContact CG2-CG 4.17Å; K583-W585 HydrophobicContact CB-CZ2 3.91Å; K583-W585 HydrophobicContact CD-CH2 4.05Å; K583-W585 HydrophobicContact CD-CZ2 3.71Å; K583-W585 HydrophobicContact CG-CZ2 4.46Å
584	L	95.2	Very high	94.9	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	133.6	167.8	-67.2	179	0	0	0	108.6	C144 S145 S146 I148 F160 L167 L181 E184 Y572 V573 V574	C144-L584 CarbonylContact C-O 3.59Å; C144-L584 WeakPolarHBondContact CA-O 3.25Å; S145-L584 PolarHBondContact N-O 2.66Å; S146-L584 PolarHBondContact N-O 2.68Å; S146-L584 PolarHBondContact O-N 2.91Å; I148-L584 HydrophobicContact CD1-CD1 3.79Å; I148-L584 HydrophobicContact CD1-CG 4.05Å; F160-L584 HydrophobicContact CZ-CD2 4.25Å; L167-L584 HydrophobicContact CD2-CD2 3.78Å; L181-L584 HydrophobicContact CD2-CD1 3.86Å; L181-L584 HydrophobicContact CD2-CD2 4.05Å; E184-L584 HydrophobicContact CB-CD1 4.42Å; E184-L584 HydrophobicContact CG-CD1 4.13Å; Y572-L584 HydrophobicContact CD1-CB 4.31Å; V573-L584 CarbonylContact O-C 3.5Å; V573-L584 WeakPolarHBondContact O-CA 3.46Å; V574-L584 HydrophobicContact CB-CD2 4.05Å; V574-L584 HydrophobicContact CG2-CD2 4.13Å
585	W	95.2	Very high	94.8	Very high	3 Å²	3	35.7 Å²	35.7	1%	0.011	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	139.5	177.5	-45.6	85.9	0	0	0	109.4	V141 R143 C144 V498 L554 Y572 V573 S575 K583	V141-W585 HydrophobicContact CB-CB 4.01Å; V141-W585 HydrophobicContact CG1-CB 4.4Å; V141-W585 HydrophobicContact CG2-CB 4.19Å; R143-W585 VanDerWaalsContact O-CA 3.3Å; R143-W585 WeakPolarHBondContact O-CA 3.41Å; C144-W585 HydrophobicContact CB-CE3 3.81Å; C144-W585 HydrophobicContact CB-CH2 4.29Å; C144-W585 HydrophobicContact CB-CZ3 3.63Å; V498-W585 HydrophobicContact CG2-CZ2 4.29Å; L554-W585 HydrophobicContact CB-CD2 4.35Å; L554-W585 HydrophobicContact CB-CE3 3.79Å; L554-W585 HydrophobicContact CB-CH2 3.95Å; L554-W585 HydrophobicContact CB-CZ2 4.48Å; L554-W585 HydrophobicContact CB-CZ3 3.59Å; L554-W585 HydrophobicContact CD1-CB 4.38Å; L554-W585 HydrophobicContact CD1-CD2 4.02Å; L554-W585 HydrophobicContact CD1-CE3 3.89Å; L554-W585 HydrophobicContact CD1-CG 4.23Å; L554-W585 HydrophobicContact CD2-CE3 4.13Å; L554-W585 HydrophobicContact CD2-CZ3 4.38Å; L554-W585 HydrophobicContact CG-CE3 4.16Å; L554-W585 HydrophobicContact CG-CZ3 4.39Å; Y572-W585 WeakPolarHBondContact CA-O 3.32Å; V573-W585 HydrophobicContact CB-CB 4.16Å; V573-W585 PolarHBondContact N-O 3.34Å; V573-W585 VanDerWaalsContact O-CD1 3.32Å; V573-W585 PolarHBondContact O-N 2.72Å; S575-W585 PolarHBondContact OG-NE1 2.79Å; K583-W585 HydrophobicContact CB-CZ2 3.91Å; K583-W585 HydrophobicContact CD-CH2 4.05Å; K583-W585 HydrophobicContact CD-CZ2 3.71Å; K583-W585 HydrophobicContact CG-CZ2 4.46Å
586	R	92.2	Very high	94.5	Very high	93 Å²	93	38.7 Å²	38.7	35%	0.351	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	156.1	-178.6	-170.1	171.7	-179.5	-176.5	1.9	110.2	T142 R143 Y572	T142-R586 PolarHBondContact N-O 3.08Å; R143-R586 PolarHBondContact N-O 2.85Å; R143-R586 PolarHBondContact O-N 2.79Å; Y572-R586 HydrophobicContact CD1-CB 4.37Å; Y572-R586 HydrophobicContact CE1-CB 4.31Å; Y572-R586 HydrophobicContact CE1-CG 4.44Å; Y572-R586 PolarHBondContact OH-NH1 3.16Å
587	A	88	Confident	94.3	Very high	51 Å²	51	42.2 Å²	42.2	42%	0.421	19%	0.194	S	C	.	.			trans	-62.2	0	173.8	0	0	0	0	0	112.7	R139 P140 T142 R143	R139-A587 HydrophobicContact CB-CB 3.69Å; P140-A587 WeakPolarHBondContact O-CA 3.44Å; P140-A587 WeakPolarHBondContact O-CB 3.14Å; T142-A587 WeakPolarHBondContact CG2-OXT 2.91Å; T142-A587 PolarHBondContact OG1-OXT 3.09Å; R143-A587 PolarHBondContact NH1-O 3.38Å; R143-A587 PolarHBondContact NH1-OXT 3.28Å; R143-A587 VanDerWaalsContact NH1-OXT 3.16Å

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