A0A087XIE7_POEFO Loading...

protein-glutamine gamma-glutamyltransferase

AlphaFold DB , UniProt , Accession A0A087XIE7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 743 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	43.4	Very low	50.6	Low	254 Å²	254	141.3 Å²	141.3	100%	1.251	87%	0.866	S	S	*	*				0	111	0	-70	-176.4	-170.8	0	0	106.3
2	S	43.3	Very low	51.9	Low	113 Å²	113	139.3 Å²	139.3	79%	0.79	86%	0.862	S	S	*	*			trans	-132.6	117.9	-175.2	47.7	0	0	0	0	107.6	Q4	S2-Q4 PolarHBondContact O-N 2.82Å
3	D	46	Very low	53.2	Low	173 Å²	173	135.2 Å²	135.2	93%	0.925	85%	0.851	S	S	*	*			trans	-55.2	126.9	177.3	-85.3	-41.2	0	0	0	111.5
4	Q	47.2	Very low	54.3	Low	194 Å²	194	133.7 Å²	133.7	91%	0.907	84%	0.843	S	S	*	*			trans	-105.3	111	162.9	-78.8	-171.1	-7.3	0	0	108.6	S2	S2-Q4 PolarHBondContact O-N 2.82Å
5	G	46	Very low	55.5	Low	76 Å²	76	132.9 Å²	132.9	78%	0.784	84%	0.839	S	S	*	*			trans	-68.4	142.5	175.1	0	0	0	0	0	112.6
6	A	52.6	Low	56.6	Low	100 Å²	100	130 Å²	130	83%	0.826	83%	0.831	S	S	*	*			trans	-70	142.6	173.7	0	0	0	0	0	112.2
7	T	51.9	Low	57.4	Low	138 Å²	138	129.1 Å²	129.1	85%	0.847	83%	0.826	S	S	*	*			trans	-121.9	103.1	162.9	37.8	0	0	0	0	109.6
8	T	53.2	Low	58	Low	129 Å²	129	129.1 Å²	129.1	79%	0.791	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-68.3	135	165.3	23.5	0	0	0	0	110.3	T10	T8-T10 PolarHBondContact O-N 3.08Å
9	P	55.4	Low	58.2	Low	123 Å²	123	128.1 Å²	128.1	80%	0.799	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-75.5	123.9	177.2	29.1	-30.3	0	0	0	110.6
10	T	59.7	Low	58.6	Low	133 Å²	133	124.9 Å²	124.9	82%	0.816	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-68.7	131.9	174.3	-20.3	0	0	0	0	109.8	T8 S12	T8-T10 PolarHBondContact O-N 3.08Å; T10-S12 PolarHBondContact O-N 3.23Å
11	P	57.4	Low	57.8	Low	121 Å²	121	130.5 Å²	130.5	79%	0.786	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-65.3	135.1	174.1	14.9	-14.9	0	0	0	110.3
12	S	66.8	Low	58.3	Low	117 Å²	117	123.3 Å²	123.3	82%	0.818	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-61.5	140.1	175.3	37.3	0	0	0	0	110.8	T10	T10-S12 PolarHBondContact O-N 3.23Å
13	A	69.3	Low	59	Low	87 Å²	87	123.4 Å²	123.4	72%	0.719	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-58.9	143.4	176.2	0	0	0	0	0	110.6
14	P	67.8	Low	59	Low	114 Å²	114	125.4 Å²	125.4	74%	0.74	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-58.3	143.4	175.1	24.2	-31.9	0	0	0	109.7
15	P	72.2	Confident	59.3	Low	122 Å²	122	122.7 Å²	122.7	79%	0.792	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-57.3	143.7	176.8	23.8	-32.6	0	0	0	110.1
16	A	73.4	Confident	59.7	Low	86 Å²	86	121.7 Å²	121.7	71%	0.711	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-56.4	140.4	176.8	0	0	0	0	0	110.1
17	P	70.1	Confident	59.9	Low	114 Å²	114	120.1 Å²	120.1	74%	0.74	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-56.3	140.2	173.7	22.7	-30.9	0	0	0	109.4	A19	P17-A19 PolarHBondContact O-N 3.44Å; P17-A19 VanDerWaalsContact O-N 3.1Å
18	P	67.6	Low	60	Low	130 Å²	130	125.4 Å²	125.4	84%	0.844	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-58	119.2	-176.1	20.3	-30.6	0	0	0	110.6
19	A	62.1	Low	60.4	Low	110 Å²	110	123.3 Å²	123.3	91%	0.909	78%	0.775	S	S	*	*			trans	-84.4	111.4	174	0	0	0	0	0	109.1	P17	P17-A19 PolarHBondContact O-N 3.44Å; P17-A19 VanDerWaalsContact O-N 3.1Å
20	G	66.6	Low	60.9	Low	64 Å²	64	128.7 Å²	128.7	66%	0.66	78%	0.78	S	S	*	*	S	Bend	trans	157.1	161.6	179.2	0	0	0	0	0	111.7
21	R	41.2	Very low	61.3	Low	243 Å²	243	125 Å²	125	92%	0.917	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-62.6	128.2	172.5	-151.5	178.1	-163.5	-174.4	4.4	107.7
22	P	54.1	Low	61.7	Low	103 Å²	103	126.1 Å²	126.1	67%	0.669	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-53.8	140.4	177.1	-23.2	31.2	0	0	0	110.1	K24	P22-K24 PolarHBondContact O-N 3.17Å
23	P	57.7	Low	61.6	Low	115 Å²	115	122 Å²	122	75%	0.747	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-55.9	142.5	169.1	23.1	-30.4	0	0	0	108.9	V25	P23-V25 PolarHBondContact O-N 3.41Å
24	K	46.3	Very low	61.6	Low	214 Å²	214	121.9 Å²	121.9	93%	0.93	74%	0.741	S	S	*	*			trans	-53.8	111.1	173.7	-82.6	-172.7	175.4	-174.6	0	108	P22 G26	P22-K24 PolarHBondContact O-N 3.17Å; K24-G26 PolarHBondContact O-N 2.89Å
25	V	54.2	Low	62.3	Low	137 Å²	137	121.5 Å²	121.5	83%	0.83	74%	0.737	S	S	*	*			trans	-68.8	118.8	178.9	-175.1	0	0	0	0	107.3	P23	P23-V25 PolarHBondContact O-N 3.41Å
26	G	54.9	Low	63	Low	56 Å²	56	116.8 Å²	116.8	58%	0.577	71%	0.706	S	S	*	*			trans	-70.5	152.6	173.6	0	0	0	0	0	111.2	K24 R28	K24-G26 PolarHBondContact O-N 2.89Å; G26-R28 PolarHBondContact O-N 2.88Å; G26-R28 VanDerWaalsContact O-N 3.1Å
27	S	56.8	Low	63.9	Low	66 Å²	66	114.1 Å²	114.1	46%	0.462	68%	0.682	S	S	.	*			trans	-71.3	3.3	175.4	53.5	0	0	0	0	114.3	G29 R30	S27-G29 PolarHBondContact O-N 2.93Å; S27-R30 PolarHBondContact O-N 2.77Å
28	R	53.7	Low	65	Low	249 Å²	249	111.5 Å²	111.5	94%	0.94	66%	0.661	S	S	*	*	B	Isolated β-bridge	trans	-61.2	106.5	-179	-128.3	179.3	-173.9	-177.4	2.5	109.5	G26	G26-R28 PolarHBondContact O-N 2.88Å; G26-R28 VanDerWaalsContact O-N 3.1Å
29	G	60.5	Low	66.2	Low	85 Å²	85	105.4 Å²	105.4	88%	0.876	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	116	-17.5	-176.7	0	0	0	0	0	115	S27	S27-G29 PolarHBondContact O-N 2.93Å
30	R	65.8	Low	67.5	Low	237 Å²	237	104 Å²	104	89%	0.894	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.3	-35.3	174.4	-175.2	176.4	179.2	-178.2	-0.4	112.7	S27	S27-R30 PolarHBondContact O-N 2.77Å
31	A	69	Low	68.5	Low	56 Å²	56	106.3 Å²	106.3	46%	0.463	59%	0.589	S	S	.	*	B	Isolated β-bridge	trans	-144.9	157.2	175.5	0	0	0	0	0	110	G33	A31-G33 WeakPolarHBondContact CB-O 3.2Å; A31-G33 PolarHBondContact O-N 3.26Å
32	S	66	Low	70.5	Confident	143 Å²	143	97.1 Å²	97.1	100%	1	57%	0.565	S	S	*	*	S	Bend	trans	-71.2	-11.9	177.6	50.5	0	0	0	0	113.6
33	G	64.4	Low	72	Confident	32 Å²	32	92.8 Å²	92.8	33%	0.33	54%	0.538	S	S	.	.	S	Bend	trans	-164.5	168.2	175.1	0	0	0	0	0	111.3	A31	A31-G33 WeakPolarHBondContact CB-O 3.2Å; A31-G33 PolarHBondContact O-N 3.26Å
34	P	69.8	Low	73.4	Confident	83 Å²	83	94.9 Å²	94.9	54%	0.539	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-65.7	153	174.3	28.8	-33.1	0	0	0	111.2	D36	P34-D36 PolarHBondContact O-N 3.44Å
35	T	81.4	Confident	75.6	Confident	106 Å²	106	86.2 Å²	86.2	65%	0.65	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-68.8	124.4	169.8	-57.5	0	0	0	0	108.4	S37 P268	T35-S37 PolarHBondContact O-N 2.71Å; T35-P268 HydrophobicContact CG2-CB 3.91Å; T35-P268 HydrophobicContact CG2-CG 3.95Å
36	D	87.8	Confident	77.4	Confident	24 Å²	24	82.7 Å²	82.7	13%	0.128	49%	0.486	C	S	.	.	P	Polyproline II helix	trans	-78.5	117.5	-179.8	-157.8	-7.7	0	0	0	110.8	P34 G127 A128 N129 P268 I269	P34-D36 PolarHBondContact O-N 3.44Å; D36-G127 VanDerWaalsContact OD2-CA 3.23Å; D36-G127 WeakPolarHBondContact OD2-CA 3.02Å; D36-A128 PolarHBondContact OD1-N 3.06Å; D36-A128 PolarHBondContact OD2-N 3.09Å; D36-N129 PolarHBondContact OD2-N 3.03Å; D36-P268 WeakPolarHBondContact O-CA 3.4Å; D36-I269 HydrophobicContact CB-CD1 4.3Å; D36-I269 PolarHBondContact O-N 3.14Å; D36-I269 WeakPolarHBondContact OD1-CD1 3.07Å
37	S	91.8	Very high	79.2	Confident	30 Å²	30	84.4 Å²	84.4	21%	0.21	48%	0.479	C	S	.	.			trans	-137	8	-174.4	64.4	0	0	0	0	113.5	T35 M267 R272	T35-S37 PolarHBondContact O-N 2.71Å; S37-M267 WeakPolarHBondContact CA-O 3.4Å; S37-M267 WeakPolarHBondContact CB-O 3.43Å; S37-R272 PolarHBondContact O-NH2 2.94Å
38	D	92.7	Very high	80.9	Confident	59 Å²	59	84.7 Å²	84.7	32%	0.316	48%	0.475	S	S	.	.			trans	-118.4	115.4	-179.5	-168.4	-32.1	0	0	0	110	F40 E41	D38-F40 WeakPolarHBondContact OD1-CA 3.42Å; D38-F40 PolarHBondContact OD1-N 2.94Å; D38-E41 HydrophobicContact CB-CB 4Å; D38-E41 PolarHBondContact OD1-N 3.39Å; D38-E41 VanDerWaalsContact OD1-N 3.12Å
39	N	94.4	Very high	82.7	Confident	1 Å²	1	76.7 Å²	76.7	1%	0.005	45%	0.449	C	S	.	.	S	Bend	trans	-80.7	-19.9	180	-161.7	170.5	0	0	0	112.9	I126 G175 K176 D263	N39-I126 WeakPolarHBondContact ND2-CG1 3.27Å; N39-G175 WeakPolarHBondContact OD1-CA 3.48Å; N39-K176 PolarHBondContact ND2-N 3.35Å; N39-K176 PolarHBondContact ND2-O 2.96Å; N39-K176 PolarHBondContact OD1-N 2.97Å; N39-D263 WeakPolarHBondContact CB-OD1 3.29Å; N39-D263 PolarHBondContact N-OD1 3.12Å
40	F	89.6	Confident	84.1	Confident	80 Å²	80	75.8 Å²	75.8	35%	0.351	42%	0.42	S	S	.	.	S	Bend	trans	-86	-18.6	176.9	-67.4	-83.9	0	0	0	112.4	D38 D256 L259 D263 F323	D38-F40 WeakPolarHBondContact OD1-CA 3.42Å; D38-F40 PolarHBondContact OD1-N 2.94Å; F40-D256 HydrophobicContact CE1-CB 4.29Å; F40-D256 HydrophobicContact CZ-CB 3.97Å; F40-L259 HydrophobicContact CE2-CB 4.11Å; F40-L259 HydrophobicContact CZ-CB 4.24Å; F40-D263 WeakPolarHBondContact CD2-OD2 3.16Å; F40-D263 VanDerWaalsContact CE2-OD2 3.24Å; F40-D263 WeakPolarHBondContact CE2-OD2 3.43Å; F40-F323 HydrophobicContact CZ-CE2 4.43Å
41	E	87.1	Confident	85.3	Confident	113 Å²	113	68.9 Å²	68.9	53%	0.528	40%	0.397	S	S	.	.			trans	-74.7	131.3	170.1	-159.8	177.1	-178.7	0	0	110.9	D38 G127 A128	D38-E41 HydrophobicContact CB-CB 4Å; D38-E41 PolarHBondContact OD1-N 3.39Å; D38-E41 VanDerWaalsContact OD1-N 3.12Å; E41-G127 CarbonylContact O-C 3.58Å; E41-A128 HydrophobicContact CB-CB 4.11Å; E41-A128 HydrophobicContact CG-CB 3.7Å
42	A	82.1	Confident	86	Confident	51 Å²	51	69.2 Å²	69.2	42%	0.421	41%	0.406	S	S	.	.			trans	-112.7	136.7	-174.9	0	0	0	0	0	111.2	H178	A42-H178 WeakPolarHBondContact CB-NE2 3.15Å
43	A	85.9	Confident	86.8	Confident	12 Å²	12	66.6 Å²	66.6	10%	0.099	39%	0.393	C	S	.	.			trans	-68.5	142.5	170.1	0	0	0	0	0	112.3	I45 V125 G127 A128 P130	A43-I45 HydrophobicContact CB-CD1 3.96Å; A43-I45 HydrophobicContact CB-CG1 4.3Å; A43-I45 PolarHBondContact O-N 2.85Å; A43-V125 HydrophobicContact CB-CG1 4.25Å; A43-G127 PolarHBondContact N-O 2.94Å; A43-A128 WeakPolarHBondContact CB-O 3.49Å; A43-P130 HydrophobicContact CB-CG 3.63Å
44	D	87.4	Confident	87.6	Confident	159 Å²	159	68.6 Å²	68.6	85%	0.85	40%	0.4	S	S	*	.			trans	-80.5	101.8	169	-171.3	16.6	0	0	0	109.7
45	I	92.1	Very high	88.2	Confident	32 Å²	32	66.5 Å²	66.5	16%	0.164	39%	0.393	C	S	.	.			trans	-100.9	118	-180	-56.2	-60.2	0	0	0	108.8	A43 E47 V125 P130 Y180	A43-I45 HydrophobicContact CB-CD1 3.96Å; A43-I45 HydrophobicContact CB-CG1 4.3Å; A43-I45 PolarHBondContact O-N 2.85Å; I45-E47 PolarHBondContact O-N 2.96Å; I45-V125 HydrophobicContact CG1-CG2 4.4Å; I45-P130 HydrophobicContact CD1-CG 4.25Å; I45-Y180 HydrophobicContact CB-CE1 4.27Å; I45-Y180 HydrophobicContact CB-CE2 4.43Å; I45-Y180 HydrophobicContact CG1-CE2 4.19Å
46	P	92.4	Very high	87.9	Confident	63 Å²	63	68.5 Å²	68.5	41%	0.409	41%	0.408	S	S	.	.			trans	-68.4	135.1	-175.5	26.7	-34	0	0	0	111.8	L48 E49 R191	P46-L48 PolarHBondContact O-N 2.7Å; P46-E49 HydrophobicContact CG-CB 4.35Å; P46-R191 PolarHBondContact O-NH1 3.4Å
47	E	92.7	Very high	87.6	Confident	91 Å²	91	79.3 Å²	79.3	43%	0.425	45%	0.447	S	S	.	.	S	Bend	trans	-60.8	-31.1	173.3	-67.2	-176.7	-162.5	0	0	112.3	I45 R190 R191 K193	I45-E47 PolarHBondContact O-N 2.96Å; E47-R190 CarbonylContact O-C 3.51Å; E47-R190 WeakPolarHBondContact O-CA 3.42Å; E47-R191 PolarHBondContact O-N 3.26Å; E47-K193 VanDerWaalsContact CD-CG 3.45Å; E47-K193 HydrophobicContact CG-CG 4.32Å; E47-K193 WeakPolarHBondContact OE1-CB 3.33Å; E47-K193 WeakPolarHBondContact OE1-CD 3.5Å; E47-K193 WeakPolarHBondContact OE1-CE 3.27Å; E47-K193 WeakPolarHBondContact OE1-CG 3.26Å; E47-K193 WeakPolarHBondContact OE2-CE 3.41Å
48	L	91.8	Very high	87.2	Confident	72 Å²	72	79.7 Å²	79.7	38%	0.377	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	120.8	179.7	-172	59	0	0	0	110.4	P46 F50 L62 I189 R190	P46-L48 PolarHBondContact O-N 2.7Å; L48-F50 HydrophobicContact CD1-CE1 4.35Å; L48-F50 HydrophobicContact CD1-CZ 4.32Å; L48-F50 HydrophobicContact CD2-CD2 4.38Å; L48-F50 HydrophobicContact CD2-CE1 4.04Å; L48-F50 HydrophobicContact CD2-CE2 3.43Å; L48-F50 VanDerWaalsContact CD2-CE2 3.43Å; L48-F50 HydrophobicContact CD2-CZ 3.24Å; L48-F50 HydrophobicContact CG-CD2 4.21Å; L48-F50 HydrophobicContact CG-CE1 4.25Å; L48-F50 HydrophobicContact CG-CE2 3.73Å; L48-F50 HydrophobicContact CG-CZ 3.78Å; L48-L62 HydrophobicContact CD1-CD1 3.65Å; L48-I189 WeakPolarHBondContact CA-O 3.18Å; L48-R190 HydrophobicContact CD1-CB 4.11Å
49	E	92.1	Very high	86.7	Confident	82 Å²	82	80.9 Å²	80.9	38%	0.383	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	102	-178.1	-174.9	-176	175.2	0	0	108.8	P46 G188 I189 R191	P46-E49 HydrophobicContact CG-CB 4.35Å; E49-G188 CarbonylContact O-C 3.53Å; E49-G188 WeakPolarHBondContact O-CA 3.29Å; E49-I189 PolarHBondContact N-O 3.5Å; E49-I189 PolarHBondContact O-N 3.1Å; E49-R191 IonicContact OE2-CZ 3.52Å; E49-R191 IonicContact OE2-NH1 3.82Å; E49-R191 PolarHBondContact OE2-NH1 2.68Å; E49-R191 IonicContact OE2-NH2 3.9Å; E49-R191 PolarHBondContact OE2-NH2 3.1Å
50	F	90.3	Very high	86.1	Confident	65 Å²	65	83.1 Å²	83.1	29%	0.285	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	143.3	-178.7	-68.8	-74	0	0	0	112.6	L48 Y59 F187	L48-F50 HydrophobicContact CD1-CE1 4.35Å; L48-F50 HydrophobicContact CD1-CZ 4.32Å; L48-F50 HydrophobicContact CD2-CD2 4.38Å; L48-F50 HydrophobicContact CD2-CE1 4.04Å; L48-F50 HydrophobicContact CD2-CE2 3.43Å; L48-F50 VanDerWaalsContact CD2-CE2 3.43Å; L48-F50 HydrophobicContact CD2-CZ 3.24Å; L48-F50 HydrophobicContact CG-CD2 4.21Å; L48-F50 HydrophobicContact CG-CE1 4.25Å; L48-F50 HydrophobicContact CG-CE2 3.73Å; L48-F50 HydrophobicContact CG-CZ 3.78Å; F50-Y59 HydrophobicContact CB-CD1 4.05Å; F50-Y59 HydrophobicContact CB-CE1 3.48Å; F50-Y59 VanDerWaalsContact CB-CE1 3.48Å; F50-Y59 HydrophobicContact CB-CE2 4.06Å; F50-Y59 VanDerWaalsContact CB-CZ 3.47Å; F50-Y59 AromaticContact CD1-CD1 3.46Å; F50-Y59 HydrophobicContact CD1-CD1 3.46Å; F50-Y59 VanDerWaalsContact CD1-CD1 3.46Å; F50-Y59 AromaticContact CD1-CD2 3.92Å; F50-Y59 HydrophobicContact CD1-CD2 3.92Å; F50-Y59 AromaticContact CD1-CE1 3.84Å; F50-Y59 HydrophobicContact CD1-CE1 3.84Å; F50-Y59 HydrophobicContact CD1-CE2 4.25Å; F50-Y59 AromaticContact CD1-CG 3.5Å; F50-Y59 HydrophobicContact CD1-CG 3.5Å; F50-Y59 HydrophobicContact CD2-CD1 4.36Å; F50-Y59 AromaticContact CD2-CD2 3.54Å; F50-Y59 HydrophobicContact CD2-CD2 3.54Å; F50-Y59 HydrophobicContact CD2-CE1 4.25Å; F50-Y59 AromaticContact CD2-CE2 3.38Å; F50-Y59 HydrophobicContact CD2-CE2 3.38Å; F50-Y59 HydrophobicContact CD2-CG 4.03Å; F50-Y59 AromaticContact CD2-CZ 3.75Å; F50-Y59 VanDerWaalsContact CE1-CB 3.41Å; F50-Y59 AromaticContact CE1-CD1 3.89Å; F50-Y59 HydrophobicContact CE1-CD1 3.89Å; F50-Y59 AromaticContact CE1-CD2 3.84Å; F50-Y59 HydrophobicContact CE1-CD2 3.84Å; F50-Y59 AromaticContact CE1-CG 3.45Å; F50-Y59 HydrophobicContact CE1-CG 3.45Å; F50-Y59 VanDerWaalsContact CE1-CG 3.45Å; F50-Y59 AromaticContact CE2-CD2 3.43Å; F50-Y59 HydrophobicContact CE2-CD2 3.43Å; F50-Y59 VanDerWaalsContact CE2-CD2 3.43Å; F50-Y59 AromaticContact CE2-CE2 3.73Å; F50-Y59 HydrophobicContact CE2-CE2 3.73Å; F50-Y59 AromaticContact CE2-CG 3.97Å; F50-Y59 HydrophobicContact CE2-CG 3.97Å; F50-Y59 AromaticContact CG-CD1 3.72Å; F50-Y59 HydrophobicContact CG-CD1 3.72Å; F50-Y59 AromaticContact CG-CD2 3.77Å; F50-Y59 HydrophobicContact CG-CD2 3.77Å; F50-Y59 AromaticContact CG-CE1 3.62Å; F50-Y59 HydrophobicContact CG-CE1 3.62Å; F50-Y59 AromaticContact CG-CE2 3.65Å; F50-Y59 HydrophobicContact CG-CE2 3.65Å; F50-Y59 AromaticContact CG-CG 3.79Å; F50-Y59 HydrophobicContact CG-CG 3.79Å; F50-Y59 AromaticContact CG-CZ 3.56Å; F50-Y59 HydrophobicContact CZ-CD1 4.46Å; F50-Y59 AromaticContact CZ-CD2 3.56Å; F50-Y59 HydrophobicContact CZ-CD2 3.56Å; F50-Y59 HydrophobicContact CZ-CE2 4.29Å; F50-Y59 AromaticContact CZ-CG 3.65Å; F50-Y59 HydrophobicContact CZ-CG 3.65Å; F50-F187 CarbonylContact C-O 3.53Å; F50-F187 VanDerWaalsContact CA-O 3.31Å; F50-F187 WeakPolarHBondContact CA-O 3.15Å; F50-F187 WeakPolarHBondContact CD1-O 3.19Å
51	F	89.7	Confident	85.8	Confident	93 Å²	93	84 Å²	84	41%	0.408	49%	0.485	S	S	.	.	S	Bend	trans	-86.7	116.2	169.9	-57.8	-27.9	0	0	0	109.6	F187 G188 I189	F51-F187 PolarHBondContact N-O 2.9Å; F51-G188 VanDerWaalsContact CD2-N 3.35Å; F51-I189 HydrophobicContact CE1-CD1 4.33Å; F51-I189 HydrophobicContact CE1-CG1 4.02Å; F51-I189 HydrophobicContact CZ-CD1 4.21Å; F51-I189 HydrophobicContact CZ-CG1 3.7Å
52	G	84.3	Confident	85.7	Confident	62 Å²	62	79.6 Å²	79.6	64%	0.639	47%	0.465	S	S	*	.	S	Bend	trans	78.7	-174.5	178.9	0	0	0	0	0	113.9	Y59	G52-Y59 PolarHBondContact O-OH 2.85Å
53	A	82.3	Confident	85.9	Confident	89 Å²	89	82.8 Å²	82.8	74%	0.736	48%	0.48	S	S	*	.			trans	-85.7	153.6	-179.4	0	0	0	0	0	111.5
54	P	82.9	Confident	86	Confident	73 Å²	73	89.9 Å²	89.9	47%	0.474	51%	0.51	S	S	.	.			trans	-65.2	142.8	177.5	26.9	-31.2	0	0	0	110.8	Y59	P54-Y59 HydrophobicContact CB-CD1 4.31Å; P54-Y59 HydrophobicContact CB-CD2 3.95Å; P54-Y59 HydrophobicContact CB-CE1 4.06Å; P54-Y59 HydrophobicContact CB-CE2 3.7Å; P54-Y59 HydrophobicContact CB-CG 4.26Å; P54-Y59 WeakPolarHBondContact CD-OH 3.37Å; P54-Y59 HydrophobicContact CG-CE2 4.16Å
55	G	80.4	Confident	86.2	Confident	39 Å²	39	84.4 Å²	84.4	40%	0.402	48%	0.479	S	S	.	.	B	Isolated β-bridge	trans	-71.2	178.7	171.8	0	0	0	0	0	112.5	R57 G58	G55-R57 PolarHBondContact O-N 2.75Å; G55-G58 PolarHBondContact O-N 2.7Å
56	P	76.3	Confident	86.3	Confident	148 Å²	148	82.9 Å²	82.9	96%	0.961	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-21.5	-179	-24.8	33.8	0	0	0	115
57	R	81.5	Confident	86.4	Confident	252 Å²	252	82.8 Å²	82.8	95%	0.951	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	11.2	177.1	-62.1	-173	-177.8	-166.4	1.2	113.2	G55	G55-R57 PolarHBondContact O-N 2.75Å
58	G	82.8	Confident	86.6	Confident	38 Å²	38	79.7 Å²	79.7	39%	0.392	45%	0.454	S	S	.	.	B	Isolated β-bridge	trans	83.9	-168.7	-170.9	0	0	0	0	0	113	G55	G55-G58 PolarHBondContact O-N 2.7Å
59	Y	81.8	Confident	86.8	Confident	83 Å²	83	83.9 Å²	83.9	33%	0.325	47%	0.465	S	S	.	.	S	Bend	trans	-77.2	142.9	172.4	-63.8	-72.3	0	0	0	110.7	F50 G52 P54	F50-Y59 HydrophobicContact CB-CD1 4.05Å; F50-Y59 HydrophobicContact CB-CE1 3.48Å; F50-Y59 VanDerWaalsContact CB-CE1 3.48Å; F50-Y59 HydrophobicContact CB-CE2 4.06Å; F50-Y59 VanDerWaalsContact CB-CZ 3.47Å; F50-Y59 AromaticContact CD1-CD1 3.46Å; F50-Y59 HydrophobicContact CD1-CD1 3.46Å; F50-Y59 VanDerWaalsContact CD1-CD1 3.46Å; F50-Y59 AromaticContact CD1-CD2 3.92Å; F50-Y59 HydrophobicContact CD1-CD2 3.92Å; F50-Y59 AromaticContact CD1-CE1 3.84Å; F50-Y59 HydrophobicContact CD1-CE1 3.84Å; F50-Y59 HydrophobicContact CD1-CE2 4.25Å; F50-Y59 AromaticContact CD1-CG 3.5Å; F50-Y59 HydrophobicContact CD1-CG 3.5Å; F50-Y59 HydrophobicContact CD2-CD1 4.36Å; F50-Y59 AromaticContact CD2-CD2 3.54Å; F50-Y59 HydrophobicContact CD2-CD2 3.54Å; F50-Y59 HydrophobicContact CD2-CE1 4.25Å; F50-Y59 AromaticContact CD2-CE2 3.38Å; F50-Y59 HydrophobicContact CD2-CE2 3.38Å; F50-Y59 HydrophobicContact CD2-CG 4.03Å; F50-Y59 AromaticContact CD2-CZ 3.75Å; F50-Y59 VanDerWaalsContact CE1-CB 3.41Å; F50-Y59 AromaticContact CE1-CD1 3.89Å; F50-Y59 HydrophobicContact CE1-CD1 3.89Å; F50-Y59 AromaticContact CE1-CD2 3.84Å; F50-Y59 HydrophobicContact CE1-CD2 3.84Å; F50-Y59 AromaticContact CE1-CG 3.45Å; F50-Y59 HydrophobicContact CE1-CG 3.45Å; F50-Y59 VanDerWaalsContact CE1-CG 3.45Å; F50-Y59 AromaticContact CE2-CD2 3.43Å; F50-Y59 HydrophobicContact CE2-CD2 3.43Å; F50-Y59 VanDerWaalsContact CE2-CD2 3.43Å; F50-Y59 AromaticContact CE2-CE2 3.73Å; F50-Y59 HydrophobicContact CE2-CE2 3.73Å; F50-Y59 AromaticContact CE2-CG 3.97Å; F50-Y59 HydrophobicContact CE2-CG 3.97Å; F50-Y59 AromaticContact CG-CD1 3.72Å; F50-Y59 HydrophobicContact CG-CD1 3.72Å; F50-Y59 AromaticContact CG-CD2 3.77Å; F50-Y59 HydrophobicContact CG-CD2 3.77Å; F50-Y59 AromaticContact CG-CE1 3.62Å; F50-Y59 HydrophobicContact CG-CE1 3.62Å; F50-Y59 AromaticContact CG-CE2 3.65Å; F50-Y59 HydrophobicContact CG-CE2 3.65Å; F50-Y59 AromaticContact CG-CG 3.79Å; F50-Y59 HydrophobicContact CG-CG 3.79Å; F50-Y59 AromaticContact CG-CZ 3.56Å; F50-Y59 HydrophobicContact CZ-CD1 4.46Å; F50-Y59 AromaticContact CZ-CD2 3.56Å; F50-Y59 HydrophobicContact CZ-CD2 3.56Å; F50-Y59 HydrophobicContact CZ-CE2 4.29Å; F50-Y59 AromaticContact CZ-CG 3.65Å; F50-Y59 HydrophobicContact CZ-CG 3.65Å; G52-Y59 PolarHBondContact O-OH 2.85Å; P54-Y59 HydrophobicContact CB-CD1 4.31Å; P54-Y59 HydrophobicContact CB-CD2 3.95Å; P54-Y59 HydrophobicContact CB-CE1 4.06Å; P54-Y59 HydrophobicContact CB-CE2 3.7Å; P54-Y59 HydrophobicContact CB-CG 4.26Å; P54-Y59 WeakPolarHBondContact CD-OH 3.37Å; P54-Y59 HydrophobicContact CG-CE2 4.16Å
60	P	82.6	Confident	87.1	Confident	49 Å²	49	84.5 Å²	84.5	32%	0.318	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-65.9	152	178.4	25.7	-31.7	0	0	0	112	F187	P60-F187 HydrophobicContact CB-CE2 4.18Å; P60-F187 HydrophobicContact CB-CZ 4.21Å; P60-F187 HydrophobicContact CG-CB 4.4Å; P60-F187 HydrophobicContact CG-CD1 3.45Å; P60-F187 VanDerWaalsContact CG-CD1 3.45Å; P60-F187 HydrophobicContact CG-CD2 3.51Å; P60-F187 HydrophobicContact CG-CE1 3.42Å; P60-F187 VanDerWaalsContact CG-CE1 3.42Å; P60-F187 HydrophobicContact CG-CE2 3.45Å; P60-F187 VanDerWaalsContact CG-CE2 3.45Å; P60-F187 HydrophobicContact CG-CG 3.49Å; P60-F187 VanDerWaalsContact CG-CG 3.49Å; P60-F187 HydrophobicContact CG-CZ 3.41Å; P60-F187 VanDerWaalsContact CG-CZ 3.41Å
61	P	82.7	Confident	87.4	Confident	98 Å²	98	82 Å²	82	64%	0.636	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-64.8	136.2	177.1	26.8	-32.7	0	0	0	110.8	T63	P61-T63 VanDerWaalsContact C-N 3.26Å; P61-T63 HydrophobicContact CB-CG2 4.5Å; P61-T63 PolarHBondContact O-N 3.4Å
62	L	85.5	Confident	87.8	Confident	20 Å²	20	80.1 Å²	80.1	11%	0.105	46%	0.455	C	S	.	.			trans	-90.1	19.1	-178.5	-57.1	-177.9	0	0	0	113.4	L48 E64 F65 T185 F187	L48-L62 HydrophobicContact CD1-CD1 3.65Å; L62-E64 VanDerWaalsContact C-N 3.25Å; L62-E64 PolarHBondContact O-N 2.87Å; L62-F65 HydrophobicContact CB-CD2 4.12Å; L62-F65 HydrophobicContact CD2-CD2 4.03Å; L62-F65 HydrophobicContact CD2-CE2 4.04Å; L62-F65 PolarHBondContact O-N 2.74Å; L62-T185 HydrophobicContact CD2-CG2 4.24Å; L62-F187 HydrophobicContact CD2-CB 4.34Å; L62-F187 HydrophobicContact CD2-CD2 3.88Å
63	T	85.7	Confident	88.4	Confident	119 Å²	119	77.2 Å²	77.2	73%	0.73	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-19.9	-172.9	48	0	0	0	0	114	P61	P61-T63 VanDerWaalsContact C-N 3.26Å; P61-T63 HydrophobicContact CB-CG2 4.5Å; P61-T63 PolarHBondContact O-N 3.4Å
64	E	87.9	Confident	89	Confident	160 Å²	160	74.5 Å²	74.5	75%	0.748	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-15.4	178.1	-61.9	-178	173.2	0	0	112.9	L62 R111	L62-E64 VanDerWaalsContact C-N 3.25Å; L62-E64 PolarHBondContact O-N 2.87Å; E64-R111 PolarHBondContact O-NH2 2.76Å
65	F	92.9	Very high	89.6	Confident	45 Å²	45	75 Å²	75	20%	0.197	39%	0.389	C	S	.	.	S	Bend	trans	-94.8	156.7	180	-54	-77.1	0	0	0	111.6	L62 D67 V183 T185 P186 F187 R190	L62-F65 HydrophobicContact CB-CD2 4.12Å; L62-F65 HydrophobicContact CD2-CD2 4.03Å; L62-F65 HydrophobicContact CD2-CE2 4.04Å; L62-F65 PolarHBondContact O-N 2.74Å; F65-D67 PolarHBondContact O-N 2.86Å; F65-V183 HydrophobicContact CB-CG1 4.48Å; F65-T185 HydrophobicContact CB-CG2 3.86Å; F65-T185 HydrophobicContact CD1-CG2 3.92Å; F65-T185 HydrophobicContact CD2-CG2 3.63Å; F65-T185 HydrophobicContact CE1-CG2 4.44Å; F65-T185 HydrophobicContact CE2-CG2 4.18Å; F65-T185 HydrophobicContact CG-CG2 3.5Å; F65-P186 HydrophobicContact CE1-CG 4.22Å; F65-P186 HydrophobicContact CZ-CG 4.1Å; F65-F187 HydrophobicContact CE2-CD2 4.14Å; F65-F187 HydrophobicContact CE2-CE2 4.08Å; F65-F187 HydrophobicContact CZ-CD2 4.4Å; F65-F187 HydrophobicContact CZ-CE2 4.14Å; F65-R190 PolarHBondContact O-NH2 3.13Å
66	L	94.8	Very high	90.1	Very high	0 Å²	0	74.5 Å²	74.5	0%	0	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-52.7	127.6	176	-69	177.8	0	0	0	111.5	F109 R111 Y113 D118 V183 R190	L66-F109 HydrophobicContact CB-CD1 3.98Å; L66-F109 HydrophobicContact CB-CE1 4.44Å; L66-F109 HydrophobicContact CD1-CD1 4.07Å; L66-F109 HydrophobicContact CD1-CD2 4.45Å; L66-F109 HydrophobicContact CD1-CE1 4.13Å; L66-F109 HydrophobicContact CD1-CG 4.23Å; L66-F109 HydrophobicContact CD1-CZ 4.34Å; L66-F109 HydrophobicContact CD2-CB 4.02Å; L66-F109 HydrophobicContact CD2-CG 4.25Å; L66-F109 HydrophobicContact CG-CD1 4.44Å; L66-R111 HydrophobicContact CD2-CG 3.74Å; L66-Y113 HydrophobicContact CD1-CD2 3.91Å; L66-D118 HydrophobicContact CD1-CB 3.59Å; L66-D118 HydrophobicContact CG-CB 4.09Å; L66-V183 HydrophobicContact CB-CG1 4.24Å; L66-V183 HydrophobicContact CB-CG2 4.07Å; L66-R190 PolarHBondContact O-NH2 3.32Å
67	D	94.2	Very high	90.7	Very high	61 Å²	61	72 Å²	72	33%	0.326	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-101.7	148.2	166.9	-156.3	18	0	0	0	109.3	F65 F109 S110 R190	F65-D67 PolarHBondContact O-N 2.86Å; D67-F109 CarbonylContact O-C 3.56Å; D67-F109 WeakPolarHBondContact O-CA 2.82Å; D67-S110 PolarHBondContact N-OG 3.08Å; D67-S110 PolarHBondContact O-N 2.83Å; D67-R190 VanDerWaalsContact CG-NH1 3.34Å; D67-R190 IonicContact OD1-CZ 3.45Å; D67-R190 IonicContact OD1-NE 2.77Å; D67-R190 IonicContact OD1-NH1 2.77Å; D67-R190 PolarHBondContact OD1-NH1 2.94Å; D67-R190 IonicContact OD1-NH2 2.6Å; D67-R190 IonicContact OD2-NH1 3.96Å
68	I	96.3	Very high	91	Very high	26 Å²	26	63.8 Å²	63.8	13%	0.133	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	114.4	-179.1	-51.3	95.3	0	0	0	108.2	V71 I107 F109 V181 V183 T192	I68-V71 HydrophobicContact CG2-CG2 3.66Å; I68-I107 HydrophobicContact CG2-CG2 4.25Å; I68-F109 HydrophobicContact CG1-CD1 4.28Å; I68-F109 HydrophobicContact CG1-CE1 4.09Å; I68-V181 HydrophobicContact CG1-CB 4.22Å; I68-V181 HydrophobicContact CG1-CG1 3.92Å; I68-V181 HydrophobicContact CG2-CB 4.47Å; I68-V183 HydrophobicContact CD1-CG2 3.79Å; I68-V183 HydrophobicContact CG1-CG2 4.24Å; I68-T192 HydrophobicContact CB-CG2 3.89Å; I68-T192 HydrophobicContact CD1-CG2 4.33Å; I68-T192 HydrophobicContact CG1-CG2 4.17Å; I68-T192 HydrophobicContact CG2-CG2 3.66Å
69	W	96.3	Very high	91.5	Very high	160 Å²	160	65.7 Å²	65.7	61%	0.606	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.8	-41.2	-180	-74.2	-6.6	0	0	0	112.8	T108 S110	W69-T108 HydrophobicContact CB-CG2 4.37Å; W69-T108 HydrophobicContact CE3-CG2 4.43Å; W69-T108 PolarHBondContact N-O 3.3Å; W69-S110 VanDerWaalsContact CE2-CA 3.4Å
70	D	97.3	Very high	92.2	Very high	94 Å²	94	64.9 Å²	64.9	50%	0.503	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	154	-179	-174	39.9	0	0	0	111.5	T108	D70-T108 PolarHBondContact N-O 3.37Å; D70-T108 PolarHBondContact O-N 2.95Å
71	V	97.9	Very high	92.9	Very high	13 Å²	13	62.7 Å²	62.7	8%	0.079	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	110.6	178.8	178.5	0	0	0	0	108.8	I68 K106 I107 M179 V181 T192	I68-V71 HydrophobicContact CG2-CG2 3.66Å; V71-K106 WeakPolarHBondContact CA-O 3.45Å; V71-I107 HydrophobicContact CG2-CG2 4.46Å; V71-M179 HydrophobicContact CG1-CE 3.35Å; V71-V181 HydrophobicContact CG1-CG2 4.32Å; V71-V181 HydrophobicContact CG2-CG2 3.73Å; V71-T192 HydrophobicContact CG2-CG2 4.37Å
72	D	96.9	Very high	93.6	Very high	54 Å²	54	58.1 Å²	58.1	29%	0.289	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	118.8	176.2	174.5	14.1	0	0	0	109.9	M74 K106	D72-M74 PolarHBondContact O-N 2.86Å; D72-M74 PolarHBondContact OD1-N 2.82Å; D72-K106 HydrophobicContact CB-CB 4.18Å; D72-K106 PolarHBondContact N-O 2.98Å; D72-K106 PolarHBondContact O-N 3.29Å
73	M	97	Very high	94.1	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	32%	0.322	C	S	.	.			trans	-75.9	-5.7	-179.6	-64.6	-61.9	-74.7	0	0	113.3	R75 N81 L95 I105 M179 R198 L200	M73-R75 VanDerWaalsContact C-N 3.27Å; M73-R75 HydrophobicContact CB-CB 4.13Å; M73-R75 HydrophobicContact CB-CG 4.49Å; M73-R75 PolarHBondContact O-N 2.85Å; M73-N81 PolarHBondContact O-ND2 2.87Å; M73-N81 VanDerWaalsContact O-ND2 3.16Å; M73-L95 HydrophobicContact CB-CB 4.48Å; M73-L95 HydrophobicContact CE-CD2 3.99Å; M73-I105 HydrophobicContact CE-CG2 4.46Å; M73-I105 HydrophobicContact SD-CG2 4.12Å; M73-M179 HydrophobicContact CE-CB 4.41Å; M73-M179 HydrophobicContact CE-CE 4.12Å; M73-M179 HydrophobicContact SD-CE 3.16Å; M73-M179 WeakPolarHBondContact SD-CE 3.16Å; M73-R198 HydrophobicContact CG-CB 4.32Å; M73-R198 HydrophobicContact CG-CG 4Å; M73-R198 HydrophobicContact SD-CB 4.22Å; M73-R198 HydrophobicContact SD-CG 4.18Å; M73-L200 HydrophobicContact CE-CB 4.19Å
74	M	95.7	Very high	94.7	Very high	32 Å²	32	58.7 Å²	58.7	16%	0.158	31%	0.308	C	S	.	.			trans	49.6	52.9	-173.6	-57.1	177.4	67.4	0	0	110.4	D72 E79 N81 Q104	D72-M74 PolarHBondContact O-N 2.86Å; D72-M74 PolarHBondContact OD1-N 2.82Å; M74-E79 WeakPolarHBondContact CA-OE2 3.34Å; M74-N81 WeakPolarHBondContact CB-ND2 3.27Å; M74-N81 WeakPolarHBondContact O-CB 3.41Å; M74-N81 PolarHBondContact O-ND2 2.94Å; M74-N81 VanDerWaalsContact O-ND2 3.11Å; M74-Q104 HydrophobicContact CE-CB 4.47Å; M74-Q104 HydrophobicContact SD-CB 3.79Å
75	R	94.2	Very high	95.2	Very high	84 Å²	84	51.1 Å²	51.1	32%	0.317	27%	0.273	S	S	.	.			trans	-95.3	1.1	-168.9	66.6	-175	177.4	-122.3	-8.3	114.3	M73 E79 K82 D93 L95 S197	M73-R75 VanDerWaalsContact C-N 3.27Å; M73-R75 HydrophobicContact CB-CB 4.13Å; M73-R75 HydrophobicContact CB-CG 4.49Å; M73-R75 PolarHBondContact O-N 2.85Å; R75-E79 PolarHBondContact N-OE2 3.38Å; R75-E79 VanDerWaalsContact N-OE2 3.09Å; R75-K82 WeakPolarHBondContact O-CD 3.28Å; R75-K82 VanDerWaalsContact O-CE 3.32Å; R75-K82 WeakPolarHBondContact O-CE 3.35Å; R75-K82 PolarHBondContact O-NZ 3.39Å; R75-K82 VanDerWaalsContact O-NZ 3.11Å; R75-D93 WeakPolarHBondContact CD-O 3.2Å; R75-L95 HydrophobicContact CB-CB 3.97Å; R75-L95 HydrophobicContact CB-CD1 4.5Å; R75-S197 PolarHBondContact NH1-O 2.82Å; R75-S197 PolarHBondContact NH1-OG 3.14Å
76	G	92.9	Very high	95.5	Very high	28 Å²	28	53.6 Å²	53.6	29%	0.289	28%	0.281	S	S	.	.			trans	-61.3	145.3	-178.6	0	0	0	0	0	112.2	G78 E79	G76-G78 VanDerWaalsContact C-N 3.29Å; G76-G78 PolarHBondContact O-N 3.24Å; G76-E79 PolarHBondContact N-OE2 2.87Å; G76-E79 WeakPolarHBondContact O-CB 3.17Å; G76-E79 PolarHBondContact O-N 2.82Å; G76-E79 VanDerWaalsContact O-N 3.12Å
77	R	88	Confident	95.6	Very high	97 Å²	97	53.6 Å²	53.6	37%	0.366	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-34.6	-177.9	-67.2	-170.3	-172.6	-160.1	5.8	113.5	S88 H91	R77-S88 WeakPolarHBondContact O-CB 3.48Å; R77-H91 PolarHBondContact NH2-CE1 2.73Å; R77-H91 VanDerWaalsContact NH2-CG 3.35Å; R77-H91 PolarHBondContact NH2-ND1 2.72Å
78	G	87.4	Confident	95.7	Very high	79 Å²	79	52.6 Å²	52.6	81%	0.814	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	5	176.6	0	0	0	0	0	114.2	G76	G76-G78 VanDerWaalsContact C-N 3.29Å; G76-G78 PolarHBondContact O-N 3.24Å
79	E	93.9	Very high	95.7	Very high	77 Å²	77	54 Å²	54	36%	0.36	29%	0.286	S	S	.	.	S	Bend	trans	-84.4	162.9	177.1	-66.5	-179.2	165.2	0	0	111.1	M74 R75 G76 N81 K82 T83	M74-E79 WeakPolarHBondContact CA-OE2 3.34Å; R75-E79 PolarHBondContact N-OE2 3.38Å; R75-E79 VanDerWaalsContact N-OE2 3.09Å; G76-E79 PolarHBondContact N-OE2 2.87Å; G76-E79 WeakPolarHBondContact O-CB 3.17Å; G76-E79 PolarHBondContact O-N 2.82Å; G76-E79 VanDerWaalsContact O-N 3.12Å; E79-N81 VanDerWaalsContact C-N 3.35Å; E79-N81 PolarHBondContact O-N 3.46Å; E79-K82 PolarHBondContact O-N 2.69Å; E79-T83 WeakPolarHBondContact O-CB 3.24Å; E79-T83 PolarHBondContact O-N 2.98Å; E79-T83 PolarHBondContact O-OG1 3.11Å
80	T	95.3	Very high	95.7	Very high	66 Å²	66	46.6 Å²	46.6	41%	0.405	26%	0.258	S	S	.	.	H	α-helix	trans	-57.4	-43.7	-172.9	47	0	0	0	0	112.3	K82 T83 D84	T80-K82 PolarHBondContact O-N 2.99Å; T80-T83 PolarHBondContact O-N 3.1Å; T80-D84 WeakPolarHBondContact O-CB 3.35Å; T80-D84 VanDerWaalsContact O-CG 3.23Å; T80-D84 PolarHBondContact O-N 2.92Å
81	N	97.9	Very high	95.5	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.021	26%	0.255	C	S	.	.	H	α-helix	trans	-56	-55.9	-177.9	-72.3	-16.8	0	0	0	112.8	M73 M74 E79 T83 H85 L95 Q104	M73-N81 PolarHBondContact O-ND2 2.87Å; M73-N81 VanDerWaalsContact O-ND2 3.16Å; M74-N81 WeakPolarHBondContact CB-ND2 3.27Å; M74-N81 WeakPolarHBondContact O-CB 3.41Å; M74-N81 PolarHBondContact O-ND2 2.94Å; M74-N81 VanDerWaalsContact O-ND2 3.11Å; E79-N81 VanDerWaalsContact C-N 3.35Å; E79-N81 PolarHBondContact O-N 3.46Å; N81-T83 VanDerWaalsContact C-N 3.33Å; N81-T83 PolarHBondContact O-N 3.46Å; N81-H85 VanDerWaalsContact O-CB 3.26Å; N81-H85 WeakPolarHBondContact O-CB 3.12Å; N81-H85 PolarHBondContact O-CD2 3.16Å; N81-H85 PolarHBondContact O-N 2.81Å; N81-L95 HydrophobicContact CB-CD1 3.74Å; N81-Q104 PolarHBondContact ND2-O 2.86Å; N81-Q104 PolarHBondContact OD1-N 3.47Å
82	K	97.7	Very high	95.2	Very high	1 Å²	1	46.9 Å²	46.9	0%	0.004	26%	0.257	C	S	.	.	H	α-helix	trans	-70	-31.5	-178.6	-77.8	-171.9	173.6	166.5	0	112.9	R75 E79 T80 R86 T87 S88 C92 N94 L95	R75-K82 WeakPolarHBondContact O-CD 3.28Å; R75-K82 VanDerWaalsContact O-CE 3.32Å; R75-K82 WeakPolarHBondContact O-CE 3.35Å; R75-K82 PolarHBondContact O-NZ 3.39Å; R75-K82 VanDerWaalsContact O-NZ 3.11Å; E79-K82 PolarHBondContact O-N 2.69Å; T80-K82 PolarHBondContact O-N 2.99Å; K82-R86 PolarHBondContact O-N 3.42Å; K82-T87 WeakPolarHBondContact CA-OG1 3.36Å; K82-T87 PolarHBondContact O-N 3.08Å; K82-T87 PolarHBondContact O-OG1 2.91Å; K82-S88 PolarHBondContact O-N 2.99Å; K82-C92 PolarHBondContact NZ-O 2.88Å; K82-N94 WeakPolarHBondContact CE-O 3.43Å; K82-N94 PolarHBondContact NZ-O 2.82Å; K82-L95 HydrophobicContact CG-CD1 4.4Å
83	T	96.8	Very high	95	Very high	69 Å²	69	50.1 Å²	50.1	42%	0.423	28%	0.275	S	S	.	.	H	α-helix	trans	-69.4	-52.2	178.5	-54.4	0	0	0	0	110.7	E79 T80 N81 H85 R86	E79-T83 WeakPolarHBondContact O-CB 3.24Å; E79-T83 PolarHBondContact O-N 2.98Å; E79-T83 PolarHBondContact O-OG1 3.11Å; T80-T83 PolarHBondContact O-N 3.1Å; N81-T83 VanDerWaalsContact C-N 3.33Å; N81-T83 PolarHBondContact O-N 3.46Å; T83-H85 VanDerWaalsContact C-N 3.32Å; T83-H85 PolarHBondContact O-N 2.88Å; T83-R86 PolarHBondContact O-N 2.7Å; T83-R86 VanDerWaalsContact O-N 3.12Å
84	D	97.9	Very high	95	Very high	82 Å²	82	51.6 Å²	51.6	44%	0.439	28%	0.283	S	S	.	.	H	α-helix	trans	-70.2	-27.6	-179	-64.5	-20.8	0	0	0	111.8	T80 R86 Q101	T80-D84 WeakPolarHBondContact O-CB 3.35Å; T80-D84 VanDerWaalsContact O-CG 3.23Å; T80-D84 PolarHBondContact O-N 2.92Å; D84-R86 VanDerWaalsContact C-N 3.33Å; D84-R86 WeakPolarHBondContact O-CD 3.14Å; D84-R86 PolarHBondContact O-NH1 3.44Å; D84-Q101 PolarHBondContact O-NE2 3.06Å
85	H	98.6	Very high	95.1	Very high	1 Å²	1	50 Å²	50	1%	0.005	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-0.1	173.9	-75.2	-91.3	0	0	0	113.9	N81 T83 T87 V97 R98 Q101 E102	N81-H85 VanDerWaalsContact O-CB 3.26Å; N81-H85 WeakPolarHBondContact O-CB 3.12Å; N81-H85 PolarHBondContact O-CD2 3.16Å; N81-H85 PolarHBondContact O-N 2.81Å; T83-H85 VanDerWaalsContact C-N 3.32Å; T83-H85 PolarHBondContact O-N 2.88Å; H85-T87 VanDerWaalsContact C-N 3.31Å; H85-T87 HydrophobicContact CB-CG2 4.27Å; H85-T87 PolarHBondContact O-N 3.34Å; H85-V97 HydrophobicContact CB-CB 4.45Å; H85-R98 PolarHBondContact CE1-O 3.07Å; H85-R98 PolarHBondContact ND1-N 3.38Å; H85-R98 PolarHBondContact ND1-O 2.92Å; H85-R98 VanDerWaalsContact O-CD 3.24Å; H85-R98 WeakPolarHBondContact O-CD 3.25Å; H85-R98 PolarHBondContact O-NE 2.66Å; H85-Q101 VanDerWaalsContact CE1-CB 3.47Å; H85-Q101 WeakPolarHBondContact CE1-CB 3.42Å; H85-Q101 VanDerWaalsContact CE1-CG 3.43Å; H85-Q101 WeakPolarHBondContact CE1-CG 3.5Å; H85-Q101 PolarHBondContact CE1-O 3.28Å; H85-E102 PolarHBondContact NE2-O 3.38Å
86	R	98.1	Very high	95.3	Very high	98 Å²	98	46 Å²	46	37%	0.37	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	47.9	-177.7	-61	85.6	-176.2	167	0.9	111.5	K82 T83 D84 R98 W207 M226	K82-R86 PolarHBondContact O-N 3.42Å; T83-R86 PolarHBondContact O-N 2.7Å; T83-R86 VanDerWaalsContact O-N 3.12Å; D84-R86 VanDerWaalsContact C-N 3.33Å; D84-R86 WeakPolarHBondContact O-CD 3.14Å; D84-R86 PolarHBondContact O-NH1 3.44Å; R86-R98 PolarHBondContact O-NH2 2.83Å; R86-W207 HydrophobicContact CB-CH2 4.27Å; R86-W207 HydrophobicContact CB-CZ3 4.39Å; R86-W207 HydrophobicContact CG-CZ2 4.39Å; R86-M226 HydrophobicContact CB-CE 4.26Å; R86-M226 HydrophobicContact CB-SD 4.31Å
87	T	98.4	Very high	95.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.246	C	C	.	.			trans	-128.4	7.7	-178.2	53.2	0	0	0	0	112.5	K82 H85 L89 Y90 I96 R98 L203	K82-T87 WeakPolarHBondContact CA-OG1 3.36Å; K82-T87 PolarHBondContact O-N 3.08Å; K82-T87 PolarHBondContact O-OG1 2.91Å; H85-T87 VanDerWaalsContact C-N 3.31Å; H85-T87 HydrophobicContact CB-CG2 4.27Å; H85-T87 PolarHBondContact O-N 3.34Å; T87-L89 PolarHBondContact O-N 2.83Å; T87-Y90 HydrophobicContact CG2-CD2 4.36Å; T87-Y90 HydrophobicContact CG2-CE2 4.12Å; T87-Y90 WeakPolarHBondContact O-CD2 3.21Å; T87-Y90 PolarHBondContact O-N 2.88Å; T87-I96 WeakPolarHBondContact CB-O 3.46Å; T87-I96 HydrophobicContact CG2-CB 4.22Å; T87-I96 HydrophobicContact CG2-CG2 3.64Å; T87-I96 PolarHBondContact OG1-O 3.17Å; T87-R98 HydrophobicContact CG2-CG 4.25Å; T87-L203 HydrophobicContact CG2-CD1 4.39Å
88	S	95.7	Very high	96.1	Very high	40 Å²	40	40.1 Å²	40.1	28%	0.28	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-22.6	176.8	57.9	0	0	0	0	114.1	R77 K82	R77-S88 WeakPolarHBondContact O-CB 3.48Å; K82-S88 PolarHBondContact O-N 2.99Å
89	L	95.3	Very high	96.7	Very high	55 Å²	55	36.4 Å²	36.4	29%	0.288	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-28.1	-179.9	-65.6	-171.6	0	0	0	113.6	T87 H91 M226 F250 R715	T87-L89 PolarHBondContact O-N 2.83Å; L89-H91 PolarHBondContact O-N 2.92Å; L89-M226 HydrophobicContact CD1-CE 3.73Å; L89-M226 HydrophobicContact CG-CE 4.29Å; L89-F250 HydrophobicContact CB-CB 4.24Å; L89-F250 HydrophobicContact CB-CD1 4.29Å; L89-F250 HydrophobicContact CB-CD2 3.58Å; L89-F250 HydrophobicContact CB-CE2 3.97Å; L89-F250 HydrophobicContact CB-CG 3.78Å; L89-F250 HydrophobicContact CB-CZ 4.49Å; L89-F250 HydrophobicContact CD1-CD2 3.82Å; L89-F250 HydrophobicContact CD1-CE2 3.57Å; L89-F250 HydrophobicContact CD1-CZ 4.34Å; L89-F250 HydrophobicContact CG-CD2 4.37Å; L89-F250 HydrophobicContact CG-CE2 4.43Å; L89-F250 WeakPolarHBondContact O-CB 3.42Å; L89-R715 PolarHBondContact O-NH1 2.87Å
90	Y	96.7	Very high	96.9	Very high	5 Å²	5	34.1 Å²	34.1	2%	0.02	19%	0.187	C	C	.	.	S	Bend	trans	-60.1	123.4	178.5	-71.7	-98.5	0	0	0	109.6	T87 C92 I96 L203 F250 L255 C347	T87-Y90 HydrophobicContact CG2-CD2 4.36Å; T87-Y90 HydrophobicContact CG2-CE2 4.12Å; T87-Y90 WeakPolarHBondContact O-CD2 3.21Å; T87-Y90 PolarHBondContact O-N 2.88Å; Y90-C92 PolarHBondContact O-N 3.28Å; Y90-I96 HydrophobicContact CD1-CD1 4.04Å; Y90-I96 HydrophobicContact CD2-CD1 4.34Å; Y90-I96 HydrophobicContact CG-CD1 3.72Å; Y90-L203 HydrophobicContact CE1-CD1 4.25Å; Y90-L203 HydrophobicContact CE2-CD1 4.03Å; Y90-L203 VanDerWaalsContact OH-CD1 3.27Å; Y90-L203 WeakPolarHBondContact OH-CD1 3.23Å; Y90-F250 AromaticContact CD1-CD1 3.85Å; Y90-F250 HydrophobicContact CD1-CD1 3.85Å; Y90-F250 AromaticContact CD2-CD1 3.6Å; Y90-F250 HydrophobicContact CD2-CD1 3.6Å; Y90-F250 AromaticContact CD2-CE1 3.91Å; Y90-F250 HydrophobicContact CD2-CE1 3.91Å; Y90-F250 AromaticContact CE1-CD1 3.76Å; Y90-F250 HydrophobicContact CE1-CD1 3.76Å; Y90-F250 HydrophobicContact CE1-CE1 4.15Å; Y90-F250 AromaticContact CE2-CD1 3.5Å; Y90-F250 HydrophobicContact CE2-CD1 3.5Å; Y90-F250 VanDerWaalsContact CE2-CD1 3.5Å; Y90-F250 AromaticContact CE2-CE1 3.36Å; Y90-F250 HydrophobicContact CE2-CE1 3.36Å; Y90-F250 AromaticContact CG-CD1 3.78Å; Y90-F250 HydrophobicContact CG-CD1 3.78Å; Y90-F250 HydrophobicContact CG-CE1 4.49Å; Y90-F250 AromaticContact CZ-CD1 3.58Å; Y90-F250 AromaticContact CZ-CE1 3.5Å; Y90-F250 VanDerWaalsContact CZ-CE1 3.5Å; Y90-L255 HydrophobicContact CD1-CB 4.46Å; Y90-L255 HydrophobicContact CD1-CD2 4.24Å; Y90-L255 HydrophobicContact CE1-CD2 4.31Å; Y90-C347 PolarHBondContact OH-O 2.91Å
91	H	93.4	Very high	97	Very high	94 Å²	94	32.9 Å²	32.9	44%	0.435	18%	0.177	S	C	.	.			trans	-75.5	78.8	171.4	-164	99	0	0	0	109	R77 L89 F250 F252	R77-H91 PolarHBondContact NH2-CE1 2.73Å; R77-H91 VanDerWaalsContact NH2-CG 3.35Å; R77-H91 PolarHBondContact NH2-ND1 2.72Å; L89-H91 PolarHBondContact O-N 2.92Å; H91-F250 WeakPolarHBondContact CB-O 3.45Å; H91-F250 PolarHBondContact N-O 3.03Å; H91-F252 HydrophobicContact CB-CB 4.28Å; H91-F252 AromaticContact CD2-CD2 3.73Å; H91-F252 AromaticContact CD2-CG 3.99Å; H91-F252 WeakPolarHBondContact O-CD2 3.34Å
92	C	92.6	Very high	97	Very high	18 Å²	18	35.6 Å²	35.6	12%	0.122	19%	0.189	C	C	.	.			trans	-150.7	136.3	-179.4	-175.2	0	0	0	0	109.9	K82 Y90 I96	K82-C92 PolarHBondContact NZ-O 2.88Å; Y90-C92 PolarHBondContact O-N 3.28Å; C92-I96 HydrophobicContact CB-CD1 3.75Å
93	D	92	Very high	97.1	Very high	123 Å²	123	35.5 Å²	35.5	66%	0.658	19%	0.189	S	C	*	.	S	Bend	trans	-80.4	-27.4	-179.2	-64.4	-26.2	0	0	0	112.7	R75	R75-D93 WeakPolarHBondContact CD-O 3.2Å
94	N	96.3	Very high	97.1	Very high	30 Å²	30	34.9 Å²	34.9	16%	0.16	18%	0.181	C	C	.	.	S	Bend	trans	-69.3	159.8	177.6	-67.7	-30	0	0	0	111.6	K82 N196 Y201	K82-N94 WeakPolarHBondContact CE-O 3.43Å; K82-N94 PolarHBondContact NZ-O 2.82Å; N94-N196 PolarHBondContact OD1-O 2.86Å; N94-Y201 HydrophobicContact CB-CD2 4.15Å; N94-Y201 HydrophobicContact CB-CE2 3.8Å
95	L	98.4	Very high	97.1	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	135.7	174.8	179.4	61.6	0	0	0	109.6	M73 R75 N81 K82 V97 F103 L200 Y201	M73-L95 HydrophobicContact CB-CB 4.48Å; M73-L95 HydrophobicContact CE-CD2 3.99Å; R75-L95 HydrophobicContact CB-CB 3.97Å; R75-L95 HydrophobicContact CB-CD1 4.5Å; N81-L95 HydrophobicContact CB-CD1 3.74Å; K82-L95 HydrophobicContact CG-CD1 4.4Å; L95-V97 HydrophobicContact CD1-CG1 3.9Å; L95-V97 HydrophobicContact CD2-CG1 4.04Å; L95-V97 HydrophobicContact CG-CG1 3.85Å; L95-F103 HydrophobicContact CD2-CD2 3.8Å; L95-F103 HydrophobicContact CD2-CE2 3.98Å; L95-L200 HydrophobicContact CB-CD1 4.46Å; L95-L200 HydrophobicContact CD2-CD1 4.02Å; L95-L200 HydrophobicContact CG-CD1 4.05Å; L95-L200 CarbonylContact O-C 3.37Å; L95-L200 WeakPolarHBondContact O-CA 3.16Å; L95-Y201 PolarHBondContact O-N 3.33Å
96	I	98.8	Very high	97.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	123	173.8	-54	179.4	0	0	0	106.7	T87 Y90 C92 Y201 L203 L255	T87-I96 WeakPolarHBondContact CB-O 3.46Å; T87-I96 HydrophobicContact CG2-CB 4.22Å; T87-I96 HydrophobicContact CG2-CG2 3.64Å; T87-I96 PolarHBondContact OG1-O 3.17Å; Y90-I96 HydrophobicContact CD1-CD1 4.04Å; Y90-I96 HydrophobicContact CD2-CD1 4.34Å; Y90-I96 HydrophobicContact CG-CD1 3.72Å; C92-I96 HydrophobicContact CB-CD1 3.75Å; I96-Y201 WeakPolarHBondContact CA-O 3.47Å; I96-Y201 HydrophobicContact CG1-CD2 3.96Å; I96-Y201 HydrophobicContact CG1-CG 4.29Å; I96-L203 HydrophobicContact CG2-CD1 3.61Å; I96-L203 HydrophobicContact CG2-CG 3.89Å; I96-L255 HydrophobicContact CD1-CD2 3.82Å; I96-L255 HydrophobicContact CG1-CD2 4.5Å
97	V	98.8	Very high	97.1	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	171.2	177.8	-56.3	0	0	0	0	109.8	H85 L95 F103 L200 Y201 I202 L203	H85-V97 HydrophobicContact CB-CB 4.45Å; L95-V97 HydrophobicContact CD1-CG1 3.9Å; L95-V97 HydrophobicContact CD2-CG1 4.04Å; L95-V97 HydrophobicContact CG-CG1 3.85Å; V97-F103 HydrophobicContact CB-CD1 4.43Å; V97-F103 HydrophobicContact CG1-CB 3.85Å; V97-F103 HydrophobicContact CG1-CD1 4.18Å; V97-F103 HydrophobicContact CG1-CD2 4.46Å; V97-F103 HydrophobicContact CG1-CG 3.94Å; V97-F103 HydrophobicContact CG2-CD1 4.08Å; V97-F103 HydrophobicContact CG2-CE1 4.26Å; V97-L200 HydrophobicContact CB-CD1 4.48Å; V97-L200 HydrophobicContact CG1-CD1 4.28Å; V97-L200 HydrophobicContact CG2-CD1 3.59Å; V97-Y201 PolarHBondContact N-O 3.13Å; V97-I202 HydrophobicContact CG2-CB 4.49Å; V97-I202 HydrophobicContact CG2-CG1 3.88Å; V97-I202 HydrophobicContact CG2-CG2 4.46Å; V97-I202 WeakPolarHBondContact O-CA 2.96Å; V97-L203 PolarHBondContact O-N 2.89Å
98	R	98.9	Very high	97.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	139.5	175.1	-57.6	-174.2	-179.9	-83.1	-1.1	109	H85 R86 T87 L203 F204 N205	H85-R98 PolarHBondContact CE1-O 3.07Å; H85-R98 PolarHBondContact ND1-N 3.38Å; H85-R98 PolarHBondContact ND1-O 2.92Å; H85-R98 VanDerWaalsContact O-CD 3.24Å; H85-R98 WeakPolarHBondContact O-CD 3.25Å; H85-R98 PolarHBondContact O-NE 2.66Å; R86-R98 PolarHBondContact O-NH2 2.83Å; T87-R98 HydrophobicContact CG2-CG 4.25Å; R98-L203 WeakPolarHBondContact CA-O 3.39Å; R98-L203 HydrophobicContact CG-CB 4.37Å; R98-F204 PolarHBondContact NH1-O 2.86Å; R98-N205 HydrophobicContact CB-CB 3.66Å
99	R	98.8	Very high	97.2	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.008	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	159.1	-178.5	67.9	-169.8	-173.2	161	10.8	112.6	Q101 A170 C172 I202 L203 F204 N205 D211 G273	R99-Q101 PolarHBondContact O-N 2.72Å; R99-A170 VanDerWaalsContact CD-O 3.22Å; R99-A170 WeakPolarHBondContact CD-O 3.03Å; R99-A170 PolarHBondContact NE-O 3.43Å; R99-A170 PolarHBondContact NH2-O 3.23Å; R99-C172 WeakPolarHBondContact CB-SG 3.39Å; R99-C172 PolarHBondContact NH1-O 3.02Å; R99-I202 HydrophobicContact CB-CG2 3.8Å; R99-L203 WeakPolarHBondContact CG-O 3.13Å; R99-L203 PolarHBondContact N-O 3.4Å; R99-F204 VanDerWaalsContact NH2-CE1 3.35Å; R99-N205 HydrophobicContact CG-CB 4.25Å; R99-N205 WeakPolarHBondContact O-CB 3.28Å; R99-N205 PolarHBondContact O-ND2 2.77Å; R99-D211 WeakPolarHBondContact CG-OD2 3.42Å; R99-D211 IonicContact CZ-OD1 3.26Å; R99-D211 IonicContact CZ-OD2 2.85Å; R99-D211 IonicContact NE-OD1 3.1Å; R99-D211 PolarHBondContact NE-OD1 3.41Å; R99-D211 IonicContact NE-OD2 3.9Å; R99-D211 PolarHBondContact NE-OD2 2.85Å; R99-D211 IonicContact NH2-OD1 2.67Å; R99-D211 PolarHBondContact NH2-OD1 2.89Å; R99-D211 IonicContact NH2-OD2 3.99Å; R99-G273 PolarHBondContact NH1-O 2.78Å
100	G	98.3	Very high	97.3	Very high	28 Å²	28	28.6 Å²	28.6	29%	0.289	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	7.7	179.7	0	0	0	0	0	115.3	P168	G100-P168 WeakPolarHBondContact CA-O 3.32Å; G100-P168 PolarHBondContact N-O 2.72Å
101	Q	98.5	Very high	97.3	Very high	41 Å²	41	31.7 Å²	31.7	19%	0.192	16%	0.164	C	C	.	.	S	Bend	trans	-131.7	139.7	178.7	178.8	-178.8	-10.1	0	0	110.3	D84 H85 R99 P168	D84-Q101 PolarHBondContact O-NE2 3.06Å; H85-Q101 VanDerWaalsContact CE1-CB 3.47Å; H85-Q101 WeakPolarHBondContact CE1-CB 3.42Å; H85-Q101 VanDerWaalsContact CE1-CG 3.43Å; H85-Q101 WeakPolarHBondContact CE1-CG 3.5Å; H85-Q101 PolarHBondContact CE1-O 3.28Å; R99-Q101 PolarHBondContact O-N 2.72Å; Q101-P168 VanDerWaalsContact O-CD 3.29Å; Q101-P168 WeakPolarHBondContact O-CD 3.34Å
102	E	98.3	Very high	97.4	Very high	60 Å²	60	29.7 Å²	29.7	28%	0.28	16%	0.163	S	C	.	.			trans	-70.8	132.8	-179.3	-169	178.1	81.6	0	0	111.7	H85 R153 V166 T167	H85-E102 PolarHBondContact NE2-O 3.38Å; E102-R153 IonicContact OE1-CZ 3.93Å; E102-R153 IonicContact OE1-NE 2.77Å; E102-R153 IonicContact OE1-NH2 2.74Å; E102-R153 PolarHBondContact OE1-NH2 2.86Å; E102-R153 IonicContact OE2-CZ 3.59Å; E102-R153 IonicContact OE2-NE 3.34Å; E102-R153 PolarHBondContact OE2-NE 2.87Å; E102-R153 IonicContact OE2-NH2 2.81Å; E102-R153 PolarHBondContact OE2-NH2 3.12Å; E102-V166 CarbonylContact C-O 3.44Å; E102-V166 WeakPolarHBondContact CA-O 3.44Å; E102-T167 VanDerWaalsContact CB-OG1 3.29Å; E102-T167 WeakPolarHBondContact CB-OG1 3.29Å
103	F	98.6	Very high	97.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	164.1	165.2	69.8	-84.4	0	0	0	110.8	L95 V97 I105 F124 G165 V166 P168 L200	L95-F103 HydrophobicContact CD2-CD2 3.8Å; L95-F103 HydrophobicContact CD2-CE2 3.98Å; V97-F103 HydrophobicContact CB-CD1 4.43Å; V97-F103 HydrophobicContact CG1-CB 3.85Å; V97-F103 HydrophobicContact CG1-CD1 4.18Å; V97-F103 HydrophobicContact CG1-CD2 4.46Å; V97-F103 HydrophobicContact CG1-CG 3.94Å; V97-F103 HydrophobicContact CG2-CD1 4.08Å; V97-F103 HydrophobicContact CG2-CE1 4.26Å; F103-I105 HydrophobicContact CD2-CG2 4.12Å; F103-I105 HydrophobicContact CE2-CG2 3.81Å; F103-F124 HydrophobicContact CE2-CZ 4.47Å; F103-F124 HydrophobicContact CZ-CE1 4.05Å; F103-F124 AromaticContact CZ-CZ 3.78Å; F103-F124 HydrophobicContact CZ-CZ 3.78Å; F103-G165 WeakPolarHBondContact O-CA 3.38Å; F103-V166 HydrophobicContact CD1-CB 4.27Å; F103-V166 HydrophobicContact CD1-CG1 4.48Å; F103-V166 VanDerWaalsContact CD1-O 3.27Å; F103-V166 WeakPolarHBondContact CD1-O 3.22Å; F103-V166 HydrophobicContact CE1-CB 3.79Å; F103-V166 HydrophobicContact CE1-CG1 3.63Å; F103-V166 HydrophobicContact CE2-CB 4.25Å; F103-V166 HydrophobicContact CZ-CB 3.79Å; F103-V166 HydrophobicContact CZ-CG1 3.73Å; F103-V166 HydrophobicContact CZ-CG2 4.48Å; F103-V166 PolarHBondContact N-O 3.19Å; F103-V166 PolarHBondContact O-N 3.44Å; F103-P168 HydrophobicContact CD1-CG 4.27Å; F103-P168 HydrophobicContact CE1-CG 3.81Å; F103-L200 HydrophobicContact CZ-CD2 4.08Å
104	Q	98.1	Very high	97.6	Very high	56 Å²	56	28.1 Å²	28.1	26%	0.262	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	145.4	-175	-56.1	-173.1	4.7	0	0	112	M74 N81 I155 I163 M164	M74-Q104 HydrophobicContact CE-CB 4.47Å; M74-Q104 HydrophobicContact SD-CB 3.79Å; N81-Q104 PolarHBondContact ND2-O 2.86Å; N81-Q104 PolarHBondContact OD1-N 3.47Å; Q104-I155 HydrophobicContact CG-CD1 3.66Å; Q104-I163 HydrophobicContact CB-CG2 4.37Å; Q104-M164 WeakPolarHBondContact CA-O 3.35Å
105	I	97.9	Very high	97.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	150.8	169	57.8	174.9	0	0	0	109.7	M73 F103 I107 V122 I163 M164 V166 M179	M73-I105 HydrophobicContact CE-CG2 4.46Å; M73-I105 HydrophobicContact SD-CG2 4.12Å; F103-I105 HydrophobicContact CD2-CG2 4.12Å; F103-I105 HydrophobicContact CE2-CG2 3.81Å; I105-I107 HydrophobicContact CD1-CD1 4.24Å; I105-I107 HydrophobicContact CD1-CG1 4.5Å; I105-V122 HydrophobicContact CD1-CB 4.25Å; I105-V122 HydrophobicContact CD1-CG1 3.66Å; I105-V122 HydrophobicContact CD1-CG2 3.72Å; I105-I163 WeakPolarHBondContact O-CA 3.4Å; I105-M164 HydrophobicContact CG1-CB 4.06Å; I105-M164 PolarHBondContact N-O 3Å; I105-M164 PolarHBondContact O-N 2.99Å; I105-V166 HydrophobicContact CD1-CG2 4.3Å; I105-M179 HydrophobicContact CD1-CE 4.2Å
106	K	97.9	Very high	97	Very high	79 Å²	79	38.5 Å²	38.5	34%	0.343	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	122.4	-179.3	-175.2	-176.5	-167.6	-178.1	0	109.6	V71 D72 V161 I163	V71-K106 WeakPolarHBondContact CA-O 3.45Å; D72-K106 HydrophobicContact CB-CB 4.18Å; D72-K106 PolarHBondContact N-O 2.98Å; D72-K106 PolarHBondContact O-N 3.29Å; K106-V161 HydrophobicContact CD-CG1 4.09Å; K106-V161 VanDerWaalsContact CE-CG1 3.41Å; K106-V161 HydrophobicContact CG-CG1 3.52Å; K106-I163 HydrophobicContact CG-CG1 4.3Å
107	I	98.4	Very high	96.7	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	122.8	-176.9	-54.1	166	0	0	0	108.1	I68 V71 I105 F109 F120 V122 V161 V162 V181	I68-I107 HydrophobicContact CG2-CG2 4.25Å; V71-I107 HydrophobicContact CG2-CG2 4.46Å; I105-I107 HydrophobicContact CD1-CD1 4.24Å; I105-I107 HydrophobicContact CD1-CG1 4.5Å; I107-F109 HydrophobicContact CB-CE2 4.14Å; I107-F109 HydrophobicContact CB-CZ 4.23Å; I107-F109 HydrophobicContact CG2-CD1 4.17Å; I107-F109 HydrophobicContact CG2-CD2 4.16Å; I107-F109 HydrophobicContact CG2-CE1 3.68Å; I107-F109 HydrophobicContact CG2-CE2 3.67Å; I107-F109 HydrophobicContact CG2-CG 4.41Å; I107-F109 HydrophobicContact CG2-CZ 3.41Å; I107-F109 VanDerWaalsContact CG2-CZ 3.41Å; I107-F120 HydrophobicContact CD1-CE2 3.79Å; I107-V122 HydrophobicContact CD1-CG2 3.88Å; I107-V161 CarbonylContact O-C 3.53Å; I107-V161 WeakPolarHBondContact O-CA 3.39Å; I107-V162 PolarHBondContact N-O 3.18Å; I107-V162 PolarHBondContact O-N 2.59Å; I107-V181 HydrophobicContact CD1-CG1 4.32Å; I107-V181 HydrophobicContact CD1-CG2 4.16Å; I107-V181 HydrophobicContact CG1-CG2 4.3Å; I107-V181 HydrophobicContact CG2-CG1 4.28Å
108	T	98.4	Very high	96.4	Very high	25 Å²	25	45 Å²	45	15%	0.153	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	117.9	175.1	-54.1	0	0	0	0	108.9	W69 D70 V161	W69-T108 HydrophobicContact CB-CG2 4.37Å; W69-T108 HydrophobicContact CE3-CG2 4.43Å; W69-T108 PolarHBondContact N-O 3.3Å; D70-T108 PolarHBondContact N-O 3.37Å; D70-T108 PolarHBondContact O-N 2.95Å; T108-V161 HydrophobicContact CG2-CG2 4.22Å
109	F	97.9	Very high	96.2	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	171.9	178.4	-64.9	-72.2	0	0	0	112.3	L66 D67 I68 I107 R111 F120 N160 V162 V181 V183	L66-F109 HydrophobicContact CB-CD1 3.98Å; L66-F109 HydrophobicContact CB-CE1 4.44Å; L66-F109 HydrophobicContact CD1-CD1 4.07Å; L66-F109 HydrophobicContact CD1-CD2 4.45Å; L66-F109 HydrophobicContact CD1-CE1 4.13Å; L66-F109 HydrophobicContact CD1-CG 4.23Å; L66-F109 HydrophobicContact CD1-CZ 4.34Å; L66-F109 HydrophobicContact CD2-CB 4.02Å; L66-F109 HydrophobicContact CD2-CG 4.25Å; L66-F109 HydrophobicContact CG-CD1 4.44Å; D67-F109 CarbonylContact O-C 3.56Å; D67-F109 WeakPolarHBondContact O-CA 2.82Å; I68-F109 HydrophobicContact CG1-CD1 4.28Å; I68-F109 HydrophobicContact CG1-CE1 4.09Å; I107-F109 HydrophobicContact CB-CE2 4.14Å; I107-F109 HydrophobicContact CB-CZ 4.23Å; I107-F109 HydrophobicContact CG2-CD1 4.17Å; I107-F109 HydrophobicContact CG2-CD2 4.16Å; I107-F109 HydrophobicContact CG2-CE1 3.68Å; I107-F109 HydrophobicContact CG2-CE2 3.67Å; I107-F109 HydrophobicContact CG2-CG 4.41Å; I107-F109 HydrophobicContact CG2-CZ 3.41Å; I107-F109 VanDerWaalsContact CG2-CZ 3.41Å; F109-R111 VanDerWaalsContact C-N 3.29Å; F109-R111 WeakPolarHBondContact CB-O 3.07Å; F109-R111 PolarHBondContact O-N 2.9Å; F109-F120 HydrophobicContact CE2-CE1 4.3Å; F109-F120 HydrophobicContact CE2-CZ 4.4Å; F109-F120 HydrophobicContact CZ-CD1 4.01Å; F109-F120 HydrophobicContact CZ-CD2 4.06Å; F109-F120 HydrophobicContact CZ-CE1 4.08Å; F109-F120 HydrophobicContact CZ-CE2 4.15Å; F109-F120 AromaticContact CZ-CG 4Å; F109-F120 HydrophobicContact CZ-CG 4Å; F109-F120 HydrophobicContact CZ-CZ 4.16Å; F109-N160 PolarHBondContact N-O 2.8Å; F109-N160 WeakPolarHBondContact O-CB 3.23Å; F109-N160 PolarHBondContact O-ND2 3.17Å; F109-V162 HydrophobicContact CD2-CG2 4.07Å; F109-V162 HydrophobicContact CE2-CB 4.05Å; F109-V162 HydrophobicContact CE2-CG2 3.79Å; F109-V181 HydrophobicContact CE1-CG1 4.44Å; F109-V183 HydrophobicContact CE1-CG2 4.34Å
110	S	96.6	Very high	96.1	Very high	39 Å²	39	51 Å²	51	27%	0.273	27%	0.265	S	S	.	.	S	Bend	trans	-70	-20.6	174.7	58.2	0	0	0	0	115.4	D67 W69	D67-S110 PolarHBondContact N-OG 3.08Å; D67-S110 PolarHBondContact O-N 2.83Å; W69-S110 VanDerWaalsContact CE2-CA 3.4Å
111	R	95.9	Very high	96.1	Very high	71 Å²	71	50 Å²	50	27%	0.268	25%	0.254	S	S	.	.	S	Bend	trans	-152.2	172.2	175.1	61.5	167.5	174.9	72.7	-1.2	109.9	E64 L66 F109 Y113 D118	E64-R111 PolarHBondContact O-NH2 2.76Å; L66-R111 HydrophobicContact CD2-CG 3.74Å; F109-R111 VanDerWaalsContact C-N 3.29Å; F109-R111 WeakPolarHBondContact CB-O 3.07Å; F109-R111 PolarHBondContact O-N 2.9Å; R111-Y113 PolarHBondContact O-N 2.7Å; R111-D118 IonicContact CZ-OD1 3.87Å; R111-D118 IonicContact CZ-OD2 3.46Å; R111-D118 IonicContact NH1-OD1 3.24Å; R111-D118 PolarHBondContact NH1-OD1 2.61Å; R111-D118 IonicContact NH1-OD2 3.38Å; R111-D118 PolarHBondContact NH1-OD2 2.81Å; R111-D118 IonicContact NH2-OD1 3Å; R111-D118 PolarHBondContact NH2-OD1 3.29Å; R111-D118 IonicContact NH2-OD2 3.45Å
112	A	96.5	Very high	96.1	Very high	51 Å²	51	48 Å²	48	42%	0.421	25%	0.245	S	C	.	.			trans	-54.3	134.3	173.1	0	0	0	0	0	112.1	D159	A112-D159 VanDerWaalsContact CA-O 3.25Å; A112-D159 WeakPolarHBondContact CA-O 3.17Å; A112-D159 VanDerWaalsContact CB-O 3.3Å; A112-D159 WeakPolarHBondContact CB-O 3.32Å
113	Y	95.1	Very high	96	Very high	17 Å²	17	45.3 Å²	45.3	7%	0.067	23%	0.232	C	C	.	.			trans	-69.1	127.5	174.4	168.9	-126.2	0	0	0	109.9	L66 R111 P115 D118 F120 V154 V162	L66-Y113 HydrophobicContact CD1-CD2 3.91Å; R111-Y113 PolarHBondContact O-N 2.7Å; Y113-P115 HydrophobicContact CD1-CG 4.15Å; Y113-P115 HydrophobicContact CE1-CB 4.13Å; Y113-P115 HydrophobicContact CE1-CG 3.72Å; Y113-D118 HydrophobicContact CD2-CB 3.68Å; Y113-D118 HydrophobicContact CE2-CB 3.67Å; Y113-F120 HydrophobicContact CD1-CE1 4.33Å; Y113-F120 HydrophobicContact CD2-CD1 4.13Å; Y113-F120 AromaticContact CD2-CE1 3.94Å; Y113-F120 HydrophobicContact CD2-CE1 3.94Å; Y113-F120 HydrophobicContact CE1-CE1 4.05Å; Y113-F120 AromaticContact CE2-CD1 3.75Å; Y113-F120 HydrophobicContact CE2-CD1 3.75Å; Y113-F120 AromaticContact CE2-CE1 3.64Å; Y113-F120 HydrophobicContact CE2-CE1 3.64Å; Y113-F120 HydrophobicContact CG-CE1 4.28Å; Y113-F120 AromaticContact CZ-CE1 3.7Å; Y113-V154 HydrophobicContact CE1-CG2 4.05Å; Y113-V162 HydrophobicContact CD1-CG2 3.94Å; Y113-V162 HydrophobicContact CG-CG2 4.02Å
114	K	93.9	Very high	96	Very high	91 Å²	91	45.3 Å²	45.3	40%	0.396	23%	0.232	S	C	.	.			trans	-111.2	103.3	176.2	-63	-178	-177.6	-176.5	0	110	N116 E117 D118	K114-N116 PolarHBondContact O-N 2.81Å; K114-E117 HydrophobicContact CB-CB 4.1Å; K114-E117 HydrophobicContact CB-CG 4.5Å; K114-E117 HydrophobicContact CD-CB 4.42Å; K114-E117 VanDerWaalsContact CD-CD 3.41Å; K114-E117 HydrophobicContact CD-CG 4.34Å; K114-E117 WeakPolarHBondContact CD-OE1 3.34Å; K114-E117 WeakPolarHBondContact CD-OE2 3.47Å; K114-E117 IonicContact NZ-OE1 3.36Å; K114-E117 PolarHBondContact NZ-OE1 3.46Å; K114-E117 IonicContact NZ-OE2 2.82Å; K114-E117 PolarHBondContact NZ-OE2 2.88Å; K114-E117 PolarHBondContact O-N 2.79Å; K114-D118 WeakPolarHBondContact CB-OD2 3.1Å; K114-D118 PolarHBondContact N-OD2 2.74Å; K114-D118 WeakPolarHBondContact O-CB 3.25Å; K114-D118 PolarHBondContact O-N 2.95Å
115	P	90.5	Very high	96	Very high	80 Å²	80	42.7 Å²	42.7	52%	0.519	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-28	-172.2	-27.1	33.3	0	0	0	116.2	Y113	Y113-P115 HydrophobicContact CD1-CG 4.15Å; Y113-P115 HydrophobicContact CE1-CB 4.13Å; Y113-P115 HydrophobicContact CE1-CG 3.72Å
116	N	90.5	Very high	95.9	Very high	168 Å²	168	42.7 Å²	42.7	90%	0.898	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-17.1	-178.6	-62.7	-27.4	0	0	0	113.6	K114	K114-N116 PolarHBondContact O-N 2.81Å
117	E	92.1	Very high	95.7	Very high	124 Å²	124	38.9 Å²	38.9	58%	0.579	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.3	-40.9	-175.7	-66.2	174.1	-146.5	0	0	111.3	K114	K114-E117 HydrophobicContact CB-CB 4.1Å; K114-E117 HydrophobicContact CB-CG 4.5Å; K114-E117 HydrophobicContact CD-CB 4.42Å; K114-E117 VanDerWaalsContact CD-CD 3.41Å; K114-E117 HydrophobicContact CD-CG 4.34Å; K114-E117 WeakPolarHBondContact CD-OE1 3.34Å; K114-E117 WeakPolarHBondContact CD-OE2 3.47Å; K114-E117 IonicContact NZ-OE1 3.36Å; K114-E117 PolarHBondContact NZ-OE1 3.46Å; K114-E117 IonicContact NZ-OE2 2.82Å; K114-E117 PolarHBondContact NZ-OE2 2.88Å; K114-E117 PolarHBondContact O-N 2.79Å
118	D	94.4	Very high	95.3	Very high	12 Å²	12	39.6 Å²	39.6	6%	0.064	21%	0.209	C	C	.	.			trans	-94.7	136.9	-171.4	-63.2	-42.1	0	0	0	112.1	L66 R111 Y113 K114	L66-D118 HydrophobicContact CD1-CB 3.59Å; L66-D118 HydrophobicContact CG-CB 4.09Å; R111-D118 IonicContact CZ-OD1 3.87Å; R111-D118 IonicContact CZ-OD2 3.46Å; R111-D118 IonicContact NH1-OD1 3.24Å; R111-D118 PolarHBondContact NH1-OD1 2.61Å; R111-D118 IonicContact NH1-OD2 3.38Å; R111-D118 PolarHBondContact NH1-OD2 2.81Å; R111-D118 IonicContact NH2-OD1 3Å; R111-D118 PolarHBondContact NH2-OD1 3.29Å; R111-D118 IonicContact NH2-OD2 3.45Å; Y113-D118 HydrophobicContact CD2-CB 3.68Å; Y113-D118 HydrophobicContact CE2-CB 3.67Å; K114-D118 WeakPolarHBondContact CB-OD2 3.1Å; K114-D118 PolarHBondContact N-OD2 2.74Å; K114-D118 WeakPolarHBondContact O-CB 3.25Å; K114-D118 PolarHBondContact O-N 2.95Å
119	K	94.5	Very high	94.9	Very high	124 Å²	124	42 Å²	42	54%	0.539	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	119.1	176.7	-63.9	179.9	-176	177	0	109.1	Q184	K119-Q184 HydrophobicContact CB-CB 3.99Å; K119-Q184 PolarHBondContact O-N 3.15Å
120	F	96.3	Very high	94.6	Very high	5 Å²	5	43.4 Å²	43.4	2%	0.022	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	162.1	170.7	79	-86.5	0	0	0	111.1	I107 F109 Y113 V122 P142 V162 M164 V181 A182 V183	I107-F120 HydrophobicContact CD1-CE2 3.79Å; F109-F120 HydrophobicContact CE2-CE1 4.3Å; F109-F120 HydrophobicContact CE2-CZ 4.4Å; F109-F120 HydrophobicContact CZ-CD1 4.01Å; F109-F120 HydrophobicContact CZ-CD2 4.06Å; F109-F120 HydrophobicContact CZ-CE1 4.08Å; F109-F120 HydrophobicContact CZ-CE2 4.15Å; F109-F120 AromaticContact CZ-CG 4Å; F109-F120 HydrophobicContact CZ-CG 4Å; F109-F120 HydrophobicContact CZ-CZ 4.16Å; Y113-F120 HydrophobicContact CD1-CE1 4.33Å; Y113-F120 HydrophobicContact CD2-CD1 4.13Å; Y113-F120 AromaticContact CD2-CE1 3.94Å; Y113-F120 HydrophobicContact CD2-CE1 3.94Å; Y113-F120 HydrophobicContact CE1-CE1 4.05Å; Y113-F120 AromaticContact CE2-CD1 3.75Å; Y113-F120 HydrophobicContact CE2-CD1 3.75Å; Y113-F120 AromaticContact CE2-CE1 3.64Å; Y113-F120 HydrophobicContact CE2-CE1 3.64Å; Y113-F120 HydrophobicContact CG-CE1 4.28Å; Y113-F120 AromaticContact CZ-CE1 3.7Å; F120-V122 HydrophobicContact CE2-CG2 4.35Å; F120-P142 HydrophobicContact CD1-CG 4.12Å; F120-P142 HydrophobicContact CE1-CB 4.07Å; F120-P142 HydrophobicContact CE1-CG 3.67Å; F120-P142 HydrophobicContact CE2-CB 4.46Å; F120-P142 HydrophobicContact CE2-CG 4.32Å; F120-P142 HydrophobicContact CZ-CB 3.79Å; F120-P142 HydrophobicContact CZ-CG 3.78Å; F120-P142 WeakPolarHBondContact O-CD 3.49Å; F120-V162 HydrophobicContact CZ-CG1 4.3Å; F120-M164 HydrophobicContact CE2-SD 3.92Å; F120-M164 HydrophobicContact CZ-SD 4.31Å; F120-V181 HydrophobicContact CD2-CG1 4.25Å; F120-A182 CarbonylContact C-O 3.43Å; F120-A182 WeakPolarHBondContact CA-O 3.35Å; F120-A182 WeakPolarHBondContact CB-O 3.15Å; F120-V183 HydrophobicContact CB-CG2 4.06Å
121	A	97.2	Very high	94.4	Very high	6 Å²	6	46 Å²	46	5%	0.05	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	154.8	172.6	0	0	0	0	0	109.7	P139 V140 F141 A182	A121-P139 HydrophobicContact CB-CB 4.37Å; A121-V140 CarbonylContact C-O 3.46Å; A121-V140 VanDerWaalsContact CA-O 3.26Å; A121-V140 WeakPolarHBondContact CA-O 3.42Å; A121-F141 HydrophobicContact CB-CD1 3.73Å; A121-F141 HydrophobicContact CB-CE1 3.65Å; A121-F141 HydrophobicContact CB-CZ 4.44Å; A121-A182 PolarHBondContact N-O 3.45Å; A121-A182 PolarHBondContact O-N 3.09Å
122	V	98.1	Very high	94.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	113.8	169.4	-179.6	0	0	0	0	106.4	I105 I107 F120 F124 V140 M164 M179 Y180	I105-V122 HydrophobicContact CD1-CB 4.25Å; I105-V122 HydrophobicContact CD1-CG1 3.66Å; I105-V122 HydrophobicContact CD1-CG2 3.72Å; I107-V122 HydrophobicContact CD1-CG2 3.88Å; F120-V122 HydrophobicContact CE2-CG2 4.35Å; V122-F124 HydrophobicContact CB-CE2 4.42Å; V122-F124 HydrophobicContact CG1-CE1 4.45Å; V122-F124 HydrophobicContact CG1-CE2 3.74Å; V122-F124 HydrophobicContact CG1-CZ 3.66Å; V122-V140 PolarHBondContact N-O 2.87Å; V122-V140 WeakPolarHBondContact O-CB 3.24Å; V122-V140 PolarHBondContact O-N 2.8Å; V122-M164 HydrophobicContact CG2-CE 4.18Å; V122-M164 HydrophobicContact CG2-SD 3.55Å; V122-M164 VanDerWaalsContact CG2-SD 3.55Å; V122-M179 HydrophobicContact CG1-CE 4.37Å; V122-M179 HydrophobicContact CG1-CG 3.74Å; V122-M179 HydrophobicContact CG1-SD 3.76Å; V122-Y180 CarbonylContact C-O 3.54Å; V122-Y180 WeakPolarHBondContact CA-O 3.43Å
123	E	97.9	Very high	94	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.019	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	127.1	-173	-60.2	176.5	144.5	0	0	110	Y137 I138 P139 M179 Y180 A182 R191	E123-Y137 HydrophobicContact CB-CE2 4.09Å; E123-Y137 HydrophobicContact CG-CE2 4.03Å; E123-Y137 PolarHBondContact OE1-OH 2.66Å; E123-I138 WeakPolarHBondContact CA-O 3.35Å; E123-P139 HydrophobicContact CG-CB 4.34Å; E123-M179 WeakPolarHBondContact O-CA 3.41Å; E123-Y180 PolarHBondContact N-O 3.47Å; E123-Y180 PolarHBondContact O-N 2.93Å; E123-A182 VanDerWaalsContact CD-CB 3.47Å; E123-A182 HydrophobicContact CG-CB 3.98Å; E123-R191 IonicContact OE1-CZ 3.2Å; E123-R191 IonicContact OE1-NE 3.81Å; E123-R191 PolarHBondContact OE1-NE 3.16Å; E123-R191 IonicContact OE1-NH2 3.43Å; E123-R191 VanDerWaalsContact OE2-CD 3.22Å; E123-R191 WeakPolarHBondContact OE2-CD 3.39Å; E123-R191 IonicContact OE2-CZ 3.6Å; E123-R191 IonicContact OE2-NE 3.38Å; E123-R191 PolarHBondContact OE2-NE 3.14Å
124	F	98.1	Very high	93.8	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	131.9	172.2	-59.6	-84.5	0	0	0	109.9	F103 V122 Y137 I138 V140 W150 V166 Y177 H178 M179 L200	F103-F124 HydrophobicContact CE2-CZ 4.47Å; F103-F124 HydrophobicContact CZ-CE1 4.05Å; F103-F124 AromaticContact CZ-CZ 3.78Å; F103-F124 HydrophobicContact CZ-CZ 3.78Å; V122-F124 HydrophobicContact CB-CE2 4.42Å; V122-F124 HydrophobicContact CG1-CE1 4.45Å; V122-F124 HydrophobicContact CG1-CE2 3.74Å; V122-F124 HydrophobicContact CG1-CZ 3.66Å; F124-Y137 WeakPolarHBondContact O-CA 3.36Å; F124-I138 HydrophobicContact CB-CB 4.33Å; F124-I138 HydrophobicContact CB-CD1 4.24Å; F124-I138 PolarHBondContact N-O 3.17Å; F124-I138 WeakPolarHBondContact O-CD1 3.17Å; F124-I138 PolarHBondContact O-N 2.91Å; F124-V140 HydrophobicContact CD2-CG2 3.73Å; F124-V140 HydrophobicContact CE2-CB 4.32Å; F124-V140 HydrophobicContact CE2-CG2 3.63Å; F124-W150 HydrophobicContact CB-CH2 4.17Å; F124-W150 HydrophobicContact CB-CZ3 4.11Å; F124-W150 HydrophobicContact CD1-CZ3 4.12Å; F124-W150 AromaticContact CD2-CE3 3.8Å; F124-W150 HydrophobicContact CD2-CE3 3.8Å; F124-W150 HydrophobicContact CD2-CH2 4.34Å; F124-W150 AromaticContact CD2-CZ3 3.46Å; F124-W150 HydrophobicContact CD2-CZ3 3.46Å; F124-W150 VanDerWaalsContact CD2-CZ3 3.46Å; F124-W150 HydrophobicContact CE1-CZ3 4.45Å; F124-W150 HydrophobicContact CE2-CE3 4.04Å; F124-W150 AromaticContact CE2-CZ3 3.85Å; F124-W150 HydrophobicContact CE2-CZ3 3.85Å; F124-W150 HydrophobicContact CG-CE3 4.38Å; F124-W150 HydrophobicContact CG-CH2 4.12Å; F124-W150 AromaticContact CG-CZ3 3.6Å; F124-W150 HydrophobicContact CG-CZ3 3.6Å; F124-W150 HydrophobicContact CZ-CZ3 4.32Å; F124-V166 HydrophobicContact CE2-CG1 3.83Å; F124-V166 HydrophobicContact CZ-CG1 4Å; F124-V166 HydrophobicContact CZ-CG2 4.48Å; F124-Y177 HydrophobicContact CB-CD1 3.96Å; F124-H178 WeakPolarHBondContact CA-O 3.36Å; F124-M179 HydrophobicContact CD1-CB 4.13Å; F124-M179 HydrophobicContact CD1-CG 4.02Å; F124-M179 HydrophobicContact CE1-CB 4.04Å; F124-M179 HydrophobicContact CE1-CG 3.6Å; F124-M179 HydrophobicContact CZ-CG 4.12Å; F124-L200 HydrophobicContact CD1-CD2 3.5Å; F124-L200 VanDerWaalsContact CD1-CD2 3.5Å; F124-L200 HydrophobicContact CE1-CD2 3.31Å; F124-L200 HydrophobicContact CZ-CD2 4.39Å
125	V	97.1	Very high	93.8	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	135.6	-175	175.3	0	0	0	0	109.7	A43 I45 P130 T136 Y137 Y177 H178 Y180	A43-V125 HydrophobicContact CB-CG1 4.25Å; I45-V125 HydrophobicContact CG1-CG2 4.4Å; V125-P130 HydrophobicContact CG1-CB 3.69Å; V125-P130 HydrophobicContact CG1-CG 3.62Å; V125-T136 WeakPolarHBondContact CA-O 3.27Å; V125-Y137 HydrophobicContact CG2-CD2 3.97Å; V125-Y177 CarbonylContact O-C 3.49Å; V125-Y177 WeakPolarHBondContact O-CA 3.42Å; V125-H178 HydrophobicContact CB-CB 4.45Å; V125-H178 PolarHBondContact N-O 3.19Å; V125-H178 PolarHBondContact O-N 3.03Å; V125-Y180 HydrophobicContact CB-CE2 4.39Å; V125-Y180 HydrophobicContact CG2-CD2 4.3Å; V125-Y180 HydrophobicContact CG2-CE2 4.22Å
126	I	96.5	Very high	94	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.256	C	S	.	.			trans	-138.1	135.9	174.3	-176.6	167.1	0	0	0	110.3	N39 T136 I173 K176 Y177 I269	N39-I126 WeakPolarHBondContact ND2-CG1 3.27Å; I126-T136 HydrophobicContact CG2-CG2 3.94Å; I126-T136 PolarHBondContact N-O 2.94Å; I126-T136 WeakPolarHBondContact O-CB 3.44Å; I126-I173 HydrophobicContact CD1-CG2 3.91Å; I126-K176 WeakPolarHBondContact CD1-O 3.3Å; I126-K176 WeakPolarHBondContact CG1-O 3.19Å; I126-Y177 HydrophobicContact CB-CD1 3.78Å; I126-Y177 HydrophobicContact CB-CE1 3.83Å; I126-Y177 HydrophobicContact CB-CG 4.33Å; I126-Y177 HydrophobicContact CD1-CD2 4.47Å; I126-Y177 HydrophobicContact CD1-CE1 4.47Å; I126-Y177 HydrophobicContact CD1-CE2 4.17Å; I126-Y177 HydrophobicContact CG2-CD1 3.98Å; I126-Y177 HydrophobicContact CG2-CE1 3.55Å; I126-I269 HydrophobicContact CD1-CG2 3.91Å; I126-I269 HydrophobicContact CG1-CD1 4.42Å; I126-I269 HydrophobicContact CG1-CG2 3.87Å; I126-I269 HydrophobicContact CG2-CG2 4.05Å
127	G	93.1	Very high	94.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.223	C	C	.	.	S	Bend	trans	82.5	173.9	-177.8	0	0	0	0	0	114.5	D36 E41 A43 I269	D36-G127 VanDerWaalsContact OD2-CA 3.23Å; D36-G127 WeakPolarHBondContact OD2-CA 3.02Å; E41-G127 CarbonylContact O-C 3.58Å; A43-G127 PolarHBondContact N-O 2.94Å; G127-I269 VanDerWaalsContact CA-CD1 3.41Å
128	A	90.1	Very high	94.6	Very high	15 Å²	15	38.4 Å²	38.4	12%	0.124	20%	0.196	C	C	.	.	S	Bend	trans	-75.5	-27.1	-177.3	0	0	0	0	0	113.8	D36 E41 A43 P130	D36-A128 PolarHBondContact OD1-N 3.06Å; D36-A128 PolarHBondContact OD2-N 3.09Å; E41-A128 HydrophobicContact CB-CB 4.11Å; E41-A128 HydrophobicContact CG-CB 3.7Å; A43-A128 WeakPolarHBondContact CB-O 3.49Å; A128-P130 VanDerWaalsContact C-CD 3.48Å; A128-P130 WeakPolarHBondContact O-CD 3.29Å
129	N	89.9	Confident	94.7	Very high	75 Å²	75	38.2 Å²	38.2	40%	0.401	20%	0.196	S	C	.	.	S	Bend	trans	-130.5	65.3	-173.3	-63.9	-83.1	0	0	0	111.7	D36 Q131	D36-N129 PolarHBondContact OD2-N 3.03Å; N129-Q131 PolarHBondContact O-NE2 2.87Å
130	P	92.1	Very high	94.8	Very high	30 Å²	30	32.3 Å²	32.3	20%	0.195	17%	0.17	C	C	.	.			trans	-70.3	138.4	-170.4	33.2	-41.3	0	0	0	111.5	A43 I45 V125 A128 T136	A43-P130 HydrophobicContact CB-CG 3.63Å; I45-P130 HydrophobicContact CD1-CG 4.25Å; V125-P130 HydrophobicContact CG1-CB 3.69Å; V125-P130 HydrophobicContact CG1-CG 3.62Å; A128-P130 VanDerWaalsContact C-CD 3.48Å; A128-P130 WeakPolarHBondContact O-CD 3.29Å; P130-T136 WeakPolarHBondContact CA-OG1 3.16Å; P130-T136 VanDerWaalsContact CB-O 3.25Å; P130-T136 WeakPolarHBondContact CB-O 3.31Å
131	Q	92.1	Very high	94.9	Very high	94 Å²	94	33 Å²	33	44%	0.439	17%	0.173	S	C	.	.			trans	-138.7	131.3	-172.3	-74.8	171	65.3	0	0	110.2	N129 S133 K134 G135 T136 Y137	N129-Q131 PolarHBondContact O-NE2 2.87Å; Q131-S133 PolarHBondContact O-N 3.21Å; Q131-K134 HydrophobicContact CB-CB 4.04Å; Q131-K134 HydrophobicContact CB-CG 4.01Å; Q131-K134 PolarHBondContact O-N 2.96Å; Q131-G135 PolarHBondContact O-N 2.92Å; Q131-T136 PolarHBondContact N-OG1 3.16Å; Q131-T136 PolarHBondContact O-N 3.24Å; Q131-T136 VanDerWaalsContact O-N 3.13Å; Q131-T136 PolarHBondContact O-OG1 3.03Å; Q131-Y137 PolarHBondContact O-N 3.46Å
132	Y	92.3	Very high	94.6	Very high	138 Å²	138	33.3 Å²	33.3	54%	0.541	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-57.4	-47.4	178	-175.2	-95.9	0	0	0	112	K134 G135 Y137 P139	Y132-K134 PolarHBondContact O-N 3.02Å; Y132-K134 VanDerWaalsContact O-N 3.15Å; Y132-G135 PolarHBondContact O-N 2.85Å; Y132-G135 VanDerWaalsContact O-N 3.15Å; Y132-Y137 WeakPolarHBondContact CA-O 3.47Å; Y132-Y137 HydrophobicContact CD2-CD1 4.15Å; Y132-Y137 HydrophobicContact CD2-CE1 4.46Å; Y132-P139 HydrophobicContact CD2-CG 4.02Å; Y132-P139 HydrophobicContact CE2-CG 3.79Å
133	S	91.3	Very high	94.1	Very high	99 Å²	99	35.3 Å²	35.3	69%	0.692	19%	0.187	S	C	*	.	G	3₁₀ helix	trans	-68.1	-13	-177.8	59.5	0	0	0	0	114.5	Q131	Q131-S133 PolarHBondContact O-N 3.21Å
134	K	91.7	Very high	93.2	Very high	121 Å²	121	44.1 Å²	44.1	53%	0.526	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-106.7	-0.4	178.7	-61.8	-59.7	-174.7	-179.3	0	112.8	Q131 Y132 T136 T270	Q131-K134 HydrophobicContact CB-CB 4.04Å; Q131-K134 HydrophobicContact CB-CG 4.01Å; Q131-K134 PolarHBondContact O-N 2.96Å; Y132-K134 PolarHBondContact O-N 3.02Å; Y132-K134 VanDerWaalsContact O-N 3.15Å; K134-T136 PolarHBondContact O-N 3.12Å; K134-T270 HydrophobicContact CB-CG2 3.85Å
135	G	94.2	Very high	92.4	Very high	26 Å²	26	50.7 Å²	50.7	27%	0.268	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.8	23.1	-177.2	0	0	0	0	0	113.7	Q131 Y132 I138	Q131-G135 PolarHBondContact O-N 2.92Å; Y132-G135 PolarHBondContact O-N 2.85Å; Y132-G135 VanDerWaalsContact O-N 3.15Å; G135-I138 VanDerWaalsContact O-CD1 3.29Å; G135-I138 WeakPolarHBondContact O-CD1 3.43Å
136	T	95.2	Very high	91.6	Very high	4 Å²	4	56.1 Å²	56.1	3%	0.025	29%	0.286	C	S	.	.	S	Bend	trans	-104	-9.9	176.2	52.3	0	0	0	0	113.2	V125 I126 P130 Q131 K134 I173 I269 T270	V125-T136 WeakPolarHBondContact CA-O 3.27Å; I126-T136 HydrophobicContact CG2-CG2 3.94Å; I126-T136 PolarHBondContact N-O 2.94Å; I126-T136 WeakPolarHBondContact O-CB 3.44Å; P130-T136 WeakPolarHBondContact CA-OG1 3.16Å; P130-T136 VanDerWaalsContact CB-O 3.25Å; P130-T136 WeakPolarHBondContact CB-O 3.31Å; Q131-T136 PolarHBondContact N-OG1 3.16Å; Q131-T136 PolarHBondContact O-N 3.24Å; Q131-T136 VanDerWaalsContact O-N 3.13Å; Q131-T136 PolarHBondContact O-OG1 3.03Å; K134-T136 PolarHBondContact O-N 3.12Å; T136-I173 HydrophobicContact CG2-CD1 3.76Å; T136-I269 HydrophobicContact CG2-CG2 3.88Å; T136-T270 HydrophobicContact CG2-CG2 4.23Å
137	Y	96.4	Very high	91	Very high	53 Å²	53	59.4 Å²	59.4	21%	0.208	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	118.1	161.5	168.2	-104.4	0	0	0	108.8	E123 F124 V125 Q131 Y132 P139	E123-Y137 HydrophobicContact CB-CE2 4.09Å; E123-Y137 HydrophobicContact CG-CE2 4.03Å; E123-Y137 PolarHBondContact OE1-OH 2.66Å; F124-Y137 WeakPolarHBondContact O-CA 3.36Å; V125-Y137 HydrophobicContact CG2-CD2 3.97Å; Q131-Y137 PolarHBondContact O-N 3.46Å; Y132-Y137 WeakPolarHBondContact CA-O 3.47Å; Y132-Y137 HydrophobicContact CD2-CD1 4.15Å; Y132-Y137 HydrophobicContact CD2-CE1 4.46Å; Y137-P139 HydrophobicContact CE1-CB 4.36Å; Y137-P139 HydrophobicContact CE1-CG 3.89Å
138	I	97.6	Very high	90.8	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	98.1	-173.6	-47.7	88.1	0	0	0	110.2	E123 F124 G135 V140 W150 Y177	E123-I138 WeakPolarHBondContact CA-O 3.35Å; F124-I138 HydrophobicContact CB-CB 4.33Å; F124-I138 HydrophobicContact CB-CD1 4.24Å; F124-I138 PolarHBondContact N-O 3.17Å; F124-I138 WeakPolarHBondContact O-CD1 3.17Å; F124-I138 PolarHBondContact O-N 2.91Å; G135-I138 VanDerWaalsContact O-CD1 3.29Å; G135-I138 WeakPolarHBondContact O-CD1 3.43Å; I138-V140 HydrophobicContact CG2-CG2 4.16Å; I138-W150 HydrophobicContact CD1-CZ2 4.33Å; I138-W150 HydrophobicContact CG1-CZ2 4.31Å; I138-W150 HydrophobicContact CG2-CB 4.01Å; I138-W150 HydrophobicContact CG2-CD2 3.76Å; I138-W150 HydrophobicContact CG2-CE3 4.31Å; I138-W150 HydrophobicContact CG2-CG 3.64Å; I138-Y177 HydrophobicContact CD1-CD1 4.42Å; I138-Y177 HydrophobicContact CD1-CE1 3.83Å
139	P	96.9	Very high	90.8	Very high	8 Å²	8	63.3 Å²	63.3	5%	0.052	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	118.9	171.3	31	-31.6	0	0	0	110.1	A121 E123 Y132 Y137 F141 S148	A121-P139 HydrophobicContact CB-CB 4.37Å; E123-P139 HydrophobicContact CG-CB 4.34Å; Y132-P139 HydrophobicContact CD2-CG 4.02Å; Y132-P139 HydrophobicContact CE2-CG 3.79Å; Y137-P139 HydrophobicContact CE1-CB 4.36Å; Y137-P139 HydrophobicContact CE1-CG 3.89Å; P139-F141 HydrophobicContact CB-CE2 4.17Å; P139-F141 HydrophobicContact CB-CZ 3.94Å; P139-F141 HydrophobicContact CG-CE2 4.22Å; P139-F141 HydrophobicContact CG-CZ 4.23Å; P139-S148 WeakPolarHBondContact O-CB 3.34Å; P139-S148 PolarHBondContact O-OG 2.88Å
140	V	97.8	Very high	91.1	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	126.4	178.4	-171.8	0	0	0	0	109.3	A121 V122 F124 I138 W150 M164 V166	A121-V140 CarbonylContact C-O 3.46Å; A121-V140 VanDerWaalsContact CA-O 3.26Å; A121-V140 WeakPolarHBondContact CA-O 3.42Å; V122-V140 PolarHBondContact N-O 2.87Å; V122-V140 WeakPolarHBondContact O-CB 3.24Å; V122-V140 PolarHBondContact O-N 2.8Å; F124-V140 HydrophobicContact CD2-CG2 3.73Å; F124-V140 HydrophobicContact CE2-CB 4.32Å; F124-V140 HydrophobicContact CE2-CG2 3.63Å; I138-V140 HydrophobicContact CG2-CG2 4.16Å; V140-W150 HydrophobicContact CG2-CB 3.79Å; V140-W150 HydrophobicContact CG2-CE3 4.02Å; V140-M164 HydrophobicContact CB-CE 4.3Å; V140-M164 HydrophobicContact CG1-CE 3.75Å; V140-V166 HydrophobicContact CG1-CG1 4.24Å; V140-V166 HydrophobicContact CG1-CG2 4.39Å; V140-V166 HydrophobicContact CG2-CG1 4.32Å
141	F	96.6	Very high	91.3	Very high	20 Å²	20	64.7 Å²	64.7	9%	0.088	33%	0.328	C	S	.	.			trans	-106.3	148.8	-173	-62	-76.1	0	0	0	111.3	A121 P139 T143 R146 G152	A121-F141 HydrophobicContact CB-CD1 3.73Å; A121-F141 HydrophobicContact CB-CE1 3.65Å; A121-F141 HydrophobicContact CB-CZ 4.44Å; P139-F141 HydrophobicContact CB-CE2 4.17Å; P139-F141 HydrophobicContact CB-CZ 3.94Å; P139-F141 HydrophobicContact CG-CE2 4.22Å; P139-F141 HydrophobicContact CG-CZ 4.23Å; F141-T143 VanDerWaalsContact C-N 3.28Å; F141-T143 PolarHBondContact O-N 3.32Å; F141-R146 WeakPolarHBondContact CB-O 3.38Å; F141-R146 HydrophobicContact CD1-CG 4.36Å; F141-R146 HydrophobicContact CD2-CG 3.84Å; F141-R146 HydrophobicContact CE2-CG 4.12Å; F141-R146 HydrophobicContact CG-CG 3.98Å; F141-R146 VanDerWaalsContact CZ-CZ 3.49Å; F141-R146 VanDerWaalsContact CZ-NE 3.33Å; F141-G152 CarbonylContact O-C 3.55Å; F141-G152 VanDerWaalsContact O-C 3.28Å; F141-G152 WeakPolarHBondContact O-CA 3.45Å
142	P	92.8	Very high	91.5	Very high	11 Å²	11	60.3 Å²	60.3	7%	0.071	31%	0.308	C	S	.	.	S	Bend	trans	-77.3	-4.3	-174.2	29.4	-35.8	0	0	0	115	F120 R153 V154 M164	F120-P142 HydrophobicContact CD1-CG 4.12Å; F120-P142 HydrophobicContact CE1-CB 4.07Å; F120-P142 HydrophobicContact CE1-CG 3.67Å; F120-P142 HydrophobicContact CE2-CB 4.46Å; F120-P142 HydrophobicContact CE2-CG 4.32Å; F120-P142 HydrophobicContact CZ-CB 3.79Å; F120-P142 HydrophobicContact CZ-CG 3.78Å; F120-P142 WeakPolarHBondContact O-CD 3.49Å; P142-R153 WeakPolarHBondContact O-CA 3.14Å; P142-V154 HydrophobicContact CB-CG2 3.76Å; P142-V154 PolarHBondContact O-N 2.72Å; P142-M164 HydrophobicContact CB-CE 4.43Å; P142-M164 HydrophobicContact CB-SD 4.33Å
143	T	86	Confident	91.7	Very high	43 Å²	43	58.7 Å²	58.7	26%	0.264	30%	0.301	S	S	.	.	B	Isolated β-bridge	trans	-124.6	140.4	-168.3	62.4	0	0	0	0	112.8	F141 T145 R146 Q147	F141-T143 VanDerWaalsContact C-N 3.28Å; F141-T143 PolarHBondContact O-N 3.32Å; T143-T145 PolarHBondContact O-N 2.91Å; T143-T145 VanDerWaalsContact O-N 3.15Å; T143-T145 PolarHBondContact OG1-OG1 2.89Å; T143-R146 CarbonylContact O-C 3.57Å; T143-R146 PolarHBondContact O-N 3.33Å; T143-Q147 PolarHBondContact O-NE2 3.29Å
144	K	79.9	Confident	92	Very high	188 Å²	188	56.1 Å²	56.1	82%	0.817	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-24.6	176.1	-66.2	-169.3	176.7	-171.5	0	114.6	R146	K144-R146 VanDerWaalsContact C-N 3.26Å; K144-R146 PolarHBondContact O-N 3.43Å
145	T	80.3	Confident	92.2	Very high	138 Å²	138	53.1 Å²	53.1	85%	0.847	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-19	-179.9	45.5	0	0	0	0	113.8	T143	T143-T145 PolarHBondContact O-N 2.91Å; T143-T145 VanDerWaalsContact O-N 3.15Å; T143-T145 PolarHBondContact OG1-OG1 2.89Å
146	R	80.9	Confident	92.2	Very high	115 Å²	115	57 Å²	57	43%	0.434	28%	0.281	S	S	.	.	B	Isolated β-bridge	trans	-140.6	102.4	177.9	-176.7	-178.5	-176.5	-177.1	-0.5	107.1	F141 T143 K144 Q184	F141-R146 WeakPolarHBondContact CB-O 3.38Å; F141-R146 HydrophobicContact CD1-CG 4.36Å; F141-R146 HydrophobicContact CD2-CG 3.84Å; F141-R146 HydrophobicContact CE2-CG 4.12Å; F141-R146 HydrophobicContact CG-CG 3.98Å; F141-R146 VanDerWaalsContact CZ-CZ 3.49Å; F141-R146 VanDerWaalsContact CZ-NE 3.33Å; T143-R146 CarbonylContact O-C 3.57Å; T143-R146 PolarHBondContact O-N 3.33Å; K144-R146 VanDerWaalsContact C-N 3.26Å; K144-R146 PolarHBondContact O-N 3.43Å; R146-Q184 VanDerWaalsContact NH1-OE1 3.09Å
147	Q	83.8	Confident	92.2	Very high	68 Å²	68	60 Å²	60	32%	0.318	30%	0.3	S	S	.	.			trans	-115.2	158.3	175	-69.2	-65.6	-7.4	0	0	110.2	T143 W150 G152	T143-Q147 PolarHBondContact O-NE2 3.29Å; Q147-W150 PolarHBondContact OE1-O 3.45Å; Q147-G152 PolarHBondContact NE2-O 3.17Å
148	S	88.6	Confident	92.1	Very high	19 Å²	19	62.1 Å²	62.1	13%	0.133	32%	0.315	C	S	.	.			trans	-105.4	-160.7	166.8	67	0	0	0	0	109.6	P139 W150	P139-S148 WeakPolarHBondContact O-CB 3.34Å; P139-S148 PolarHBondContact O-OG 2.88Å; S148-W150 PolarHBondContact O-N 3.28Å; S148-W150 PolarHBondContact OG-N 3.11Å; S148-W150 PolarHBondContact OG-O 2.68Å
149	S	91.2	Very high	91.9	Very high	78 Å²	78	68.1 Å²	68.1	55%	0.545	35%	0.347	S	S	.	.	S	Bend	trans	-63.3	-21.4	171.2	51.6	0	0	0	0	112.7
150	W	96.4	Very high	91.9	Very high	6 Å²	6	69.7 Å²	69.7	2%	0.023	36%	0.355	C	S	.	.	S	Bend	trans	-106.9	145.2	172.4	-68.5	17.5	0	0	0	109.2	F124 I138 V140 Q147 S148 V166 P168 A169 C172 Y177 I202	F124-W150 HydrophobicContact CB-CH2 4.17Å; F124-W150 HydrophobicContact CB-CZ3 4.11Å; F124-W150 HydrophobicContact CD1-CZ3 4.12Å; F124-W150 AromaticContact CD2-CE3 3.8Å; F124-W150 HydrophobicContact CD2-CE3 3.8Å; F124-W150 HydrophobicContact CD2-CH2 4.34Å; F124-W150 AromaticContact CD2-CZ3 3.46Å; F124-W150 HydrophobicContact CD2-CZ3 3.46Å; F124-W150 VanDerWaalsContact CD2-CZ3 3.46Å; F124-W150 HydrophobicContact CE1-CZ3 4.45Å; F124-W150 HydrophobicContact CE2-CE3 4.04Å; F124-W150 AromaticContact CE2-CZ3 3.85Å; F124-W150 HydrophobicContact CE2-CZ3 3.85Å; F124-W150 HydrophobicContact CG-CE3 4.38Å; F124-W150 HydrophobicContact CG-CH2 4.12Å; F124-W150 AromaticContact CG-CZ3 3.6Å; F124-W150 HydrophobicContact CG-CZ3 3.6Å; F124-W150 HydrophobicContact CZ-CZ3 4.32Å; I138-W150 HydrophobicContact CD1-CZ2 4.33Å; I138-W150 HydrophobicContact CG1-CZ2 4.31Å; I138-W150 HydrophobicContact CG2-CB 4.01Å; I138-W150 HydrophobicContact CG2-CD2 3.76Å; I138-W150 HydrophobicContact CG2-CE3 4.31Å; I138-W150 HydrophobicContact CG2-CG 3.64Å; V140-W150 HydrophobicContact CG2-CB 3.79Å; V140-W150 HydrophobicContact CG2-CE3 4.02Å; Q147-W150 PolarHBondContact OE1-O 3.45Å; S148-W150 PolarHBondContact O-N 3.28Å; S148-W150 PolarHBondContact OG-N 3.11Å; S148-W150 PolarHBondContact OG-O 2.68Å; W150-V166 HydrophobicContact CE3-CG1 4.05Å; W150-P168 HydrophobicContact CD2-CB 3.86Å; W150-P168 HydrophobicContact CD2-CG 4.43Å; W150-P168 HydrophobicContact CE3-CB 3.96Å; W150-P168 HydrophobicContact CE3-CG 4.04Å; W150-P168 HydrophobicContact CG-CB 4.49Å; W150-P168 HydrophobicContact CH2-CB 4.21Å; W150-P168 HydrophobicContact CH2-CG 4.44Å; W150-P168 HydrophobicContact CZ2-CB 4.03Å; W150-P168 HydrophobicContact CZ3-CB 4.14Å; W150-P168 HydrophobicContact CZ3-CG 4.04Å; W150-A169 VanDerWaalsContact CD1-N 3.34Å; W150-C172 HydrophobicContact CZ2-CB 3.9Å; W150-Y177 HydrophobicContact CH2-CE1 4.17Å; W150-Y177 HydrophobicContact CZ2-CE1 4.31Å; W150-I202 HydrophobicContact CH2-CD1 3.13Å; W150-I202 HydrophobicContact CZ2-CD1 3.85Å; W150-I202 HydrophobicContact CZ3-CD1 3.77Å
151	E	96.3	Very high	91.9	Very high	128 Å²	128	70.8 Å²	70.8	60%	0.598	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.4	134.9	-178.2	-55.9	-172	171.5	0	0	110.8	V166 T167	E151-V166 WeakPolarHBondContact O-CA 3.19Å; E151-T167 PolarHBondContact N-O 2.68Å; E151-T167 PolarHBondContact O-N 2.78Å
152	G	96.4	Very high	91.9	Very high	2 Å²	2	69.9 Å²	69.9	2%	0.021	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	144.8	172	0	0	0	0	0	112.7	F141 Q147 G165	F141-G152 CarbonylContact O-C 3.55Å; F141-G152 VanDerWaalsContact O-C 3.28Å; F141-G152 WeakPolarHBondContact O-CA 3.45Å; Q147-G152 PolarHBondContact NE2-O 3.17Å; G152-G165 WeakPolarHBondContact CA-O 3.33Å
153	R	95.8	Very high	92.2	Very high	105 Å²	105	70.7 Å²	70.7	40%	0.396	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	147.1	172.3	66.9	-177.4	-176.3	94.1	2.8	112.2	E102 P142 I155 M164 G165	E102-R153 IonicContact OE1-CZ 3.93Å; E102-R153 IonicContact OE1-NE 2.77Å; E102-R153 IonicContact OE1-NH2 2.74Å; E102-R153 PolarHBondContact OE1-NH2 2.86Å; E102-R153 IonicContact OE2-CZ 3.59Å; E102-R153 IonicContact OE2-NE 3.34Å; E102-R153 PolarHBondContact OE2-NE 2.87Å; E102-R153 IonicContact OE2-NH2 2.81Å; E102-R153 PolarHBondContact OE2-NH2 3.12Å; P142-R153 WeakPolarHBondContact O-CA 3.14Å; R153-I155 PolarHBondContact O-N 2.74Å; R153-M164 CarbonylContact O-C 3.55Å; R153-M164 WeakPolarHBondContact O-CA 3.25Å; R153-G165 PolarHBondContact N-O 2.81Å; R153-G165 PolarHBondContact O-N 2.89Å
154	V	96.5	Very high	92.7	Very high	44 Å²	44	68.7 Å²	68.7	27%	0.267	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	122.3	165.1	-179.7	0	0	0	0	109	Y113 P142 T157 V162	Y113-V154 HydrophobicContact CE1-CG2 4.05Å; P142-V154 HydrophobicContact CB-CG2 3.76Å; P142-V154 PolarHBondContact O-N 2.72Å; V154-T157 WeakPolarHBondContact CG1-OG1 3.39Å; V154-V162 HydrophobicContact CG1-CG1 4.15Å; V154-V162 HydrophobicContact CG2-CG1 4.15Å
155	I	96.2	Very high	93.5	Very high	59 Å²	59	59.7 Å²	59.7	30%	0.303	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-48.2	173.6	-62.6	176.3	0	0	0	109.2	Q104 R153 I163	Q104-I155 HydrophobicContact CG-CD1 3.66Å; R153-I155 PolarHBondContact O-N 2.74Å; I155-I163 HydrophobicContact CB-CG2 4.27Å; I155-I163 HydrophobicContact CD1-CG2 4.42Å; I155-I163 PolarHBondContact N-O 3.4Å
156	Q	95.3	Very high	94.4	Very high	106 Å²	106	53.1 Å²	53.1	50%	0.495	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	148.9	-177.3	-171.8	175.8	3.1	0	0	110.5	I163	Q156-I163 HydrophobicContact CB-CB 4.28Å; Q156-I163 HydrophobicContact CB-CD1 4.34Å; Q156-I163 PolarHBondContact N-O 2.96Å; Q156-I163 PolarHBondContact O-N 2.83Å
157	T	94.3	Very high	95.2	Very high	67 Å²	67	49.1 Å²	49.1	41%	0.411	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	131.9	167.3	-54.1	0	0	0	0	108.1	V154 V161 V162	V154-T157 WeakPolarHBondContact CG1-OG1 3.39Å; T157-V161 CarbonylContact C-O 3.55Å; T157-V161 WeakPolarHBondContact CA-O 3.26Å; T157-V162 HydrophobicContact CG2-CG2 4.24Å
158	N	93.6	Very high	95.9	Very high	98 Å²	98	46 Å²	46	52%	0.524	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	109.4	176.8	-171.7	19.6	0	0	0	108.8	N160 V161	N158-N160 PolarHBondContact O-N 2.92Å; N158-N160 VanDerWaalsContact O-N 3.14Å; N158-V161 PolarHBondContact N-O 3.42Å; N158-V161 WeakPolarHBondContact O-CA 3.33Å; N158-V161 VanDerWaalsContact O-CB 3.31Å; N158-V161 WeakPolarHBondContact O-CB 3.45Å; N158-V161 PolarHBondContact O-N 3.13Å
159	D	93.8	Very high	96.4	Very high	128 Å²	128	46.1 Å²	46.1	68%	0.684	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.2	-114.8	-171.2	-62.3	-36.7	0	0	0	112.6	A112	A112-D159 VanDerWaalsContact CA-O 3.25Å; A112-D159 WeakPolarHBondContact CA-O 3.17Å; A112-D159 VanDerWaalsContact CB-O 3.3Å; A112-D159 WeakPolarHBondContact CB-O 3.32Å
160	N	96.4	Very high	96.7	Very high	41 Å²	41	43.3 Å²	43.3	22%	0.219	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	7.2	178.3	68.6	-30.9	0	0	0	113.7	F109 N158	F109-N160 PolarHBondContact N-O 2.8Å; F109-N160 WeakPolarHBondContact O-CB 3.23Å; F109-N160 PolarHBondContact O-ND2 3.17Å; N158-N160 PolarHBondContact O-N 2.92Å; N158-N160 VanDerWaalsContact O-N 3.14Å
161	V	97.8	Very high	96.7	Very high	23 Å²	23	49 Å²	49	14%	0.139	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	132.2	-179.3	179.8	0	0	0	0	110.8	K106 I107 T108 T157 N158	K106-V161 HydrophobicContact CD-CG1 4.09Å; K106-V161 VanDerWaalsContact CE-CG1 3.41Å; K106-V161 HydrophobicContact CG-CG1 3.52Å; I107-V161 CarbonylContact O-C 3.53Å; I107-V161 WeakPolarHBondContact O-CA 3.39Å; T108-V161 HydrophobicContact CG2-CG2 4.22Å; T157-V161 CarbonylContact C-O 3.55Å; T157-V161 WeakPolarHBondContact CA-O 3.26Å; N158-V161 PolarHBondContact N-O 3.42Å; N158-V161 WeakPolarHBondContact O-CA 3.33Å; N158-V161 VanDerWaalsContact O-CB 3.31Å; N158-V161 WeakPolarHBondContact O-CB 3.45Å; N158-V161 PolarHBondContact O-N 3.13Å
162	V	97.9	Very high	96.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	125.9	171.7	175	0	0	0	0	109.3	I107 F109 Y113 F120 V154 T157	I107-V162 PolarHBondContact N-O 3.18Å; I107-V162 PolarHBondContact O-N 2.59Å; F109-V162 HydrophobicContact CD2-CG2 4.07Å; F109-V162 HydrophobicContact CE2-CB 4.05Å; F109-V162 HydrophobicContact CE2-CG2 3.79Å; Y113-V162 HydrophobicContact CD1-CG2 3.94Å; Y113-V162 HydrophobicContact CG-CG2 4.02Å; F120-V162 HydrophobicContact CZ-CG1 4.3Å; V154-V162 HydrophobicContact CG1-CG1 4.15Å; V154-V162 HydrophobicContact CG2-CG1 4.15Å; T157-V162 HydrophobicContact CG2-CG2 4.24Å
163	I	97.9	Very high	96.9	Very high	29 Å²	29	43.9 Å²	43.9	15%	0.149	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	118.2	166.7	-58.1	177.1	0	0	0	107.4	Q104 I105 K106 I155 Q156	Q104-I163 HydrophobicContact CB-CG2 4.37Å; I105-I163 WeakPolarHBondContact O-CA 3.4Å; K106-I163 HydrophobicContact CG-CG1 4.3Å; I155-I163 HydrophobicContact CB-CG2 4.27Å; I155-I163 HydrophobicContact CD1-CG2 4.42Å; I155-I163 PolarHBondContact N-O 3.4Å; Q156-I163 HydrophobicContact CB-CB 4.28Å; Q156-I163 HydrophobicContact CB-CD1 4.34Å; Q156-I163 PolarHBondContact N-O 2.96Å; Q156-I163 PolarHBondContact O-N 2.83Å
164	M	97.1	Very high	97	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	130.1	-178.1	-177.5	168.6	173.7	0	0	110.1	Q104 I105 F120 V122 V140 P142 R153 V166	Q104-M164 WeakPolarHBondContact CA-O 3.35Å; I105-M164 HydrophobicContact CG1-CB 4.06Å; I105-M164 PolarHBondContact N-O 3Å; I105-M164 PolarHBondContact O-N 2.99Å; F120-M164 HydrophobicContact CE2-SD 3.92Å; F120-M164 HydrophobicContact CZ-SD 4.31Å; V122-M164 HydrophobicContact CG2-CE 4.18Å; V122-M164 HydrophobicContact CG2-SD 3.55Å; V122-M164 VanDerWaalsContact CG2-SD 3.55Å; V140-M164 HydrophobicContact CB-CE 4.3Å; V140-M164 HydrophobicContact CG1-CE 3.75Å; P142-M164 HydrophobicContact CB-CE 4.43Å; P142-M164 HydrophobicContact CB-SD 4.33Å; R153-M164 CarbonylContact O-C 3.55Å; R153-M164 WeakPolarHBondContact O-CA 3.25Å; M164-V166 HydrophobicContact CE-CG2 4.31Å; M164-V166 HydrophobicContact CG-CG2 4.29Å
165	G	97.9	Very high	97.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	133.6	167	0	0	0	0	0	109.9	F103 G152 R153	F103-G165 WeakPolarHBondContact O-CA 3.38Å; G152-G165 WeakPolarHBondContact CA-O 3.33Å; R153-G165 PolarHBondContact N-O 2.81Å; R153-G165 PolarHBondContact O-N 2.89Å
166	V	98.4	Very high	97.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	123.3	177.8	177.1	0	0	0	0	108.3	E102 F103 I105 F124 V140 W150 E151 M164	E102-V166 CarbonylContact C-O 3.44Å; E102-V166 WeakPolarHBondContact CA-O 3.44Å; F103-V166 HydrophobicContact CD1-CB 4.27Å; F103-V166 HydrophobicContact CD1-CG1 4.48Å; F103-V166 VanDerWaalsContact CD1-O 3.27Å; F103-V166 WeakPolarHBondContact CD1-O 3.22Å; F103-V166 HydrophobicContact CE1-CB 3.79Å; F103-V166 HydrophobicContact CE1-CG1 3.63Å; F103-V166 HydrophobicContact CE2-CB 4.25Å; F103-V166 HydrophobicContact CZ-CB 3.79Å; F103-V166 HydrophobicContact CZ-CG1 3.73Å; F103-V166 HydrophobicContact CZ-CG2 4.48Å; F103-V166 PolarHBondContact N-O 3.19Å; F103-V166 PolarHBondContact O-N 3.44Å; I105-V166 HydrophobicContact CD1-CG2 4.3Å; F124-V166 HydrophobicContact CE2-CG1 3.83Å; F124-V166 HydrophobicContact CZ-CG1 4Å; F124-V166 HydrophobicContact CZ-CG2 4.48Å; V140-V166 HydrophobicContact CG1-CG1 4.24Å; V140-V166 HydrophobicContact CG1-CG2 4.39Å; V140-V166 HydrophobicContact CG2-CG1 4.32Å; W150-V166 HydrophobicContact CE3-CG1 4.05Å; E151-V166 WeakPolarHBondContact O-CA 3.19Å; M164-V166 HydrophobicContact CE-CG2 4.31Å; M164-V166 HydrophobicContact CG-CG2 4.29Å
167	T	98.1	Very high	97.3	Very high	31 Å²	31	30.5 Å²	30.5	19%	0.19	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	104.2	176.1	-54.2	0	0	0	0	109.5	E102 E151	E102-T167 VanDerWaalsContact CB-OG1 3.29Å; E102-T167 WeakPolarHBondContact CB-OG1 3.29Å; E151-T167 PolarHBondContact N-O 2.68Å; E151-T167 PolarHBondContact O-N 2.78Å
168	P	98.3	Very high	97.5	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.013	16%	0.155	C	C	.	.			trans	-62.9	144.7	172.6	-20.4	33.3	0	0	0	111.4	G100 Q101 F103 W150 I202	G100-P168 WeakPolarHBondContact CA-O 3.32Å; G100-P168 PolarHBondContact N-O 2.72Å; Q101-P168 VanDerWaalsContact O-CD 3.29Å; Q101-P168 WeakPolarHBondContact O-CD 3.34Å; F103-P168 HydrophobicContact CD1-CG 4.27Å; F103-P168 HydrophobicContact CE1-CG 3.81Å; W150-P168 HydrophobicContact CD2-CB 3.86Å; W150-P168 HydrophobicContact CD2-CG 4.43Å; W150-P168 HydrophobicContact CE3-CB 3.96Å; W150-P168 HydrophobicContact CE3-CG 4.04Å; W150-P168 HydrophobicContact CG-CB 4.49Å; W150-P168 HydrophobicContact CH2-CB 4.21Å; W150-P168 HydrophobicContact CH2-CG 4.44Å; W150-P168 HydrophobicContact CZ2-CB 4.03Å; W150-P168 HydrophobicContact CZ3-CB 4.14Å; W150-P168 HydrophobicContact CZ3-CG 4.04Å; P168-I202 HydrophobicContact CB-CD1 4.32Å; P168-I202 HydrophobicContact CG-CD1 4.1Å
169	A	98.1	Very high	97.7	Very high	22 Å²	22	23 Å²	23	18%	0.182	13%	0.13	C	C	.	.			trans	-57.1	141.6	173.2	0	0	0	0	0	111.2	W150 N171 C172	W150-A169 VanDerWaalsContact CD1-N 3.34Å; A169-N171 WeakPolarHBondContact CB-OD1 3.31Å; A169-N171 PolarHBondContact O-N 3.41Å; A169-C172 HydrophobicContact CB-CB 4.38Å; A169-C172 VanDerWaalsContact O-CB 3.32Å; A169-C172 WeakPolarHBondContact O-CB 3.49Å; A169-C172 PolarHBondContact O-N 2.71Å
170	A	98	Very high	97.9	Very high	19 Å²	19	17.2 Å²	17.2	16%	0.157	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-15	-178.9	0	0	0	0	0	114.1	R99 D210	R99-A170 VanDerWaalsContact CD-O 3.22Å; R99-A170 WeakPolarHBondContact CD-O 3.03Å; R99-A170 PolarHBondContact NE-O 3.43Å; R99-A170 PolarHBondContact NH2-O 3.23Å; A170-D210 HydrophobicContact CB-CB 3.75Å
171	N	97.3	Very high	98	Very high	125 Å²	125	15.2 Å²	15.2	67%	0.668	9%	0.087	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.1	13.1	175	68.2	-11.8	0	0	0	113.3	A169	A169-N171 WeakPolarHBondContact CB-OD1 3.31Å; A169-N171 PolarHBondContact O-N 3.41Å
172	C	97.5	Very high	97.9	Very high	9 Å²	9	14.3 Å²	14.3	6%	0.061	8%	0.082	C	C	.	.	P	Polyproline II helix	trans	-64	159.2	-177.4	81.8	0	0	0	0	111.9	R99 W150 A169 V174	R99-C172 WeakPolarHBondContact CB-SG 3.39Å; R99-C172 PolarHBondContact NH1-O 3.02Å; W150-C172 HydrophobicContact CZ2-CB 3.9Å; A169-C172 HydrophobicContact CB-CB 4.38Å; A169-C172 VanDerWaalsContact O-CB 3.32Å; A169-C172 WeakPolarHBondContact O-CB 3.49Å; A169-C172 PolarHBondContact O-N 2.71Å; C172-V174 PolarHBondContact O-N 3.08Å
173	I	98.6	Very high	97.9	Very high	13 Å²	13	14.5 Å²	14.5	7%	0.067	8%	0.083	C	C	.	.	P	Polyproline II helix	trans	-60.8	134.3	179.5	-66.9	166	0	0	0	109.4	I126 T136 Y177 I269 R272	I126-I173 HydrophobicContact CD1-CG2 3.91Å; T136-I173 HydrophobicContact CG2-CD1 3.76Å; I173-Y177 VanDerWaalsContact CB-OH 3.31Å; I173-Y177 WeakPolarHBondContact CB-OH 3.27Å; I173-Y177 WeakPolarHBondContact O-CE2 3.42Å; I173-Y177 PolarHBondContact O-OH 3.16Å; I173-I269 HydrophobicContact CD1-CG2 4.2Å; I173-I269 HydrophobicContact CG2-CG2 3.81Å; I173-I269 WeakPolarHBondContact CG2-O 3.46Å; I173-R272 HydrophobicContact CG2-CB 4.2Å
174	V	98.8	Very high	97.7	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.091	C	C	.	.	P	Polyproline II helix	trans	-87.5	132.3	172.6	168	0	0	0	0	109.2	C172 I202 F204 L348	C172-V174 PolarHBondContact O-N 3.08Å; V174-I202 VanDerWaalsContact CA-O 3.31Å; V174-I202 WeakPolarHBondContact CA-O 3.23Å; V174-I202 WeakPolarHBondContact CG1-O 3.42Å; V174-F204 HydrophobicContact CB-CD2 4.35Å; V174-F204 HydrophobicContact CB-CE2 4.07Å; V174-F204 HydrophobicContact CB-CZ 4.47Å; V174-F204 HydrophobicContact CG1-CD2 4.25Å; V174-F204 HydrophobicContact CG1-CE2 4.21Å; V174-F204 HydrophobicContact CG2-CD1 4.14Å; V174-F204 HydrophobicContact CG2-CD2 3.67Å; V174-F204 HydrophobicContact CG2-CE1 4.14Å; V174-F204 HydrophobicContact CG2-CE2 3.67Å; V174-F204 HydrophobicContact CG2-CG 3.89Å; V174-F204 HydrophobicContact CG2-CZ 3.9Å; V174-L348 HydrophobicContact CG1-CD2 4.25Å
175	G	98.3	Very high	97.5	Very high	1 Å²	1	16.4 Å²	16.4	1%	0.01	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.2	-172.1	-176	0	0	0	0	0	113.8	N39 Y177 Y201 I202	N39-G175 WeakPolarHBondContact OD1-CA 3.48Å; G175-Y177 WeakPolarHBondContact O-CD2 3.4Å; G175-Y201 WeakPolarHBondContact O-CA 3.41Å; G175-I202 PolarHBondContact N-O 2.83Å; G175-I202 PolarHBondContact O-N 2.65Å
176	K	98.1	Very high	97.2	Very high	31 Å²	31	20.9 Å²	20.9	14%	0.135	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	129.5	175.8	-170.5	-179.4	-178.5	-179	0	110.5	N39 I126 D199 L200 Y201 L259	N39-K176 PolarHBondContact ND2-N 3.35Å; N39-K176 PolarHBondContact ND2-O 2.96Å; N39-K176 PolarHBondContact OD1-N 2.97Å; I126-K176 WeakPolarHBondContact CD1-O 3.3Å; I126-K176 WeakPolarHBondContact CG1-O 3.19Å; K176-D199 VanDerWaalsContact CE-CB 3.47Å; K176-D199 VanDerWaalsContact CE-CG 3.5Å; K176-D199 WeakPolarHBondContact CE-OD2 3.43Å; K176-D199 IonicContact NZ-OD2 2.95Å; K176-D199 PolarHBondContact NZ-OD2 3.4Å; K176-D199 VanDerWaalsContact NZ-OD2 3.12Å; K176-L200 CarbonylContact C-O 3.57Å; K176-L200 WeakPolarHBondContact CA-O 3.33Å; K176-Y201 HydrophobicContact CB-CD1 3.98Å; K176-Y201 HydrophobicContact CB-CE1 3.86Å; K176-Y201 HydrophobicContact CD-CE1 3.95Å; K176-Y201 HydrophobicContact CD-CE2 4.38Å; K176-Y201 HydrophobicContact CG-CD1 4.25Å; K176-Y201 HydrophobicContact CG-CE1 3.92Å; K176-Y201 HydrophobicContact CG-CE2 4.33Å; K176-L259 HydrophobicContact CB-CD1 3.91Å
177	Y	98.1	Very high	96.8	Very high	1 Å²	1	24.6 Å²	24.6	0%	0.004	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	148.4	179.6	-69.8	-101.2	0	0	0	110.5	F124 V125 I126 I138 W150 I173 G175 D199 L200 I202	F124-Y177 HydrophobicContact CB-CD1 3.96Å; V125-Y177 CarbonylContact O-C 3.49Å; V125-Y177 WeakPolarHBondContact O-CA 3.42Å; I126-Y177 HydrophobicContact CB-CD1 3.78Å; I126-Y177 HydrophobicContact CB-CE1 3.83Å; I126-Y177 HydrophobicContact CB-CG 4.33Å; I126-Y177 HydrophobicContact CD1-CD2 4.47Å; I126-Y177 HydrophobicContact CD1-CE1 4.47Å; I126-Y177 HydrophobicContact CD1-CE2 4.17Å; I126-Y177 HydrophobicContact CG2-CD1 3.98Å; I126-Y177 HydrophobicContact CG2-CE1 3.55Å; I138-Y177 HydrophobicContact CD1-CD1 4.42Å; I138-Y177 HydrophobicContact CD1-CE1 3.83Å; W150-Y177 HydrophobicContact CH2-CE1 4.17Å; W150-Y177 HydrophobicContact CZ2-CE1 4.31Å; I173-Y177 VanDerWaalsContact CB-OH 3.31Å; I173-Y177 WeakPolarHBondContact CB-OH 3.27Å; I173-Y177 WeakPolarHBondContact O-CE2 3.42Å; I173-Y177 PolarHBondContact O-OH 3.16Å; G175-Y177 WeakPolarHBondContact O-CD2 3.4Å; Y177-D199 WeakPolarHBondContact O-CA 3.48Å; Y177-L200 PolarHBondContact N-O 2.79Å; Y177-L200 PolarHBondContact O-N 2.87Å; Y177-I202 HydrophobicContact CD2-CB 4.34Å; Y177-I202 HydrophobicContact CD2-CD1 3.95Å; Y177-I202 HydrophobicContact CD2-CG1 3.9Å; Y177-I202 HydrophobicContact CE2-CB 3.96Å; Y177-I202 HydrophobicContact CE2-CD1 3.8Å; Y177-I202 HydrophobicContact CE2-CG1 3.91Å
178	H	97.2	Very high	96.5	Very high	9 Å²	9	23.1 Å²	23.1	4%	0.042	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	132	165.6	-55.7	-43.6	0	0	0	109.2	A42 F124 V125 Y180 R194 D199	A42-H178 WeakPolarHBondContact CB-NE2 3.15Å; F124-H178 WeakPolarHBondContact CA-O 3.36Å; V125-H178 HydrophobicContact CB-CB 4.45Å; V125-H178 PolarHBondContact N-O 3.19Å; V125-H178 PolarHBondContact O-N 3.03Å; H178-Y180 HydrophobicContact CB-CE2 3.88Å; H178-R194 PolarHBondContact CE1-NH2 3.11Å; H178-R194 PolarHBondContact ND1-NH1 3.23Å; H178-R194 PolarHBondContact ND1-NH2 3.24Å; H178-D199 IonicContact CE1-OD1 3.49Å; H178-D199 IonicContact CE1-OD2 3.59Å; H178-D199 IonicContact CG-OD1 2.94Å; H178-D199 IonicContact ND1-OD1 2.67Å; H178-D199 PolarHBondContact ND1-OD1 3.05Å; H178-D199 IonicContact ND1-OD2 3.14Å
179	M	97.4	Very high	96.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	133.7	-179.7	-170.8	-82.8	-93.1	0	0	112.3	V71 M73 I105 V122 E123 F124 V181 R198	V71-M179 HydrophobicContact CG1-CE 3.35Å; M73-M179 HydrophobicContact CE-CB 4.41Å; M73-M179 HydrophobicContact CE-CE 4.12Å; M73-M179 HydrophobicContact SD-CE 3.16Å; M73-M179 WeakPolarHBondContact SD-CE 3.16Å; I105-M179 HydrophobicContact CD1-CE 4.2Å; V122-M179 HydrophobicContact CG1-CE 4.37Å; V122-M179 HydrophobicContact CG1-CG 3.74Å; V122-M179 HydrophobicContact CG1-SD 3.76Å; E123-M179 WeakPolarHBondContact O-CA 3.41Å; F124-M179 HydrophobicContact CD1-CB 4.13Å; F124-M179 HydrophobicContact CD1-CG 4.02Å; F124-M179 HydrophobicContact CE1-CB 4.04Å; F124-M179 HydrophobicContact CE1-CG 3.6Å; F124-M179 HydrophobicContact CZ-CG 4.12Å; M179-V181 HydrophobicContact CE-CG2 4.44Å; M179-V181 HydrophobicContact SD-CG2 4Å; M179-R198 HydrophobicContact CB-CB 4.46Å; M179-R198 WeakPolarHBondContact CB-O 3.12Å; M179-R198 PolarHBondContact O-NH1 3.39Å
180	Y	98.2	Very high	96.2	Very high	5 Å²	5	25.4 Å²	25.4	2%	0.02	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	149.4	174	-56.7	-99.1	0	0	0	110.6	I45 V122 E123 V125 H178 T192 R194	I45-Y180 HydrophobicContact CB-CE1 4.27Å; I45-Y180 HydrophobicContact CB-CE2 4.43Å; I45-Y180 HydrophobicContact CG1-CE2 4.19Å; V122-Y180 CarbonylContact C-O 3.54Å; V122-Y180 WeakPolarHBondContact CA-O 3.43Å; E123-Y180 PolarHBondContact N-O 3.47Å; E123-Y180 PolarHBondContact O-N 2.93Å; V125-Y180 HydrophobicContact CB-CE2 4.39Å; V125-Y180 HydrophobicContact CG2-CD2 4.3Å; V125-Y180 HydrophobicContact CG2-CE2 4.22Å; H178-Y180 HydrophobicContact CB-CE2 3.88Å; Y180-T192 WeakPolarHBondContact CA-OG1 3.25Å; Y180-T192 WeakPolarHBondContact CD1-O 3.38Å; Y180-R194 HydrophobicContact CE1-CB 4.5Å; Y180-R194 VanDerWaalsContact OH-CD 3.29Å; Y180-R194 WeakPolarHBondContact OH-CD 3.35Å
181	V	98.2	Very high	96.1	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	-105.5	123.9	165.1	-176.9	0	0	0	0	108	I68 V71 I107 F109 F120 M179 R191 T192	I68-V181 HydrophobicContact CG1-CB 4.22Å; I68-V181 HydrophobicContact CG1-CG1 3.92Å; I68-V181 HydrophobicContact CG2-CB 4.47Å; V71-V181 HydrophobicContact CG1-CG2 4.32Å; V71-V181 HydrophobicContact CG2-CG2 3.73Å; I107-V181 HydrophobicContact CD1-CG1 4.32Å; I107-V181 HydrophobicContact CD1-CG2 4.16Å; I107-V181 HydrophobicContact CG1-CG2 4.3Å; I107-V181 HydrophobicContact CG2-CG1 4.28Å; F109-V181 HydrophobicContact CE1-CG1 4.44Å; F120-V181 HydrophobicContact CD2-CG1 4.25Å; M179-V181 HydrophobicContact CE-CG2 4.44Å; M179-V181 HydrophobicContact SD-CG2 4Å; V181-R191 CarbonylContact O-C 3.37Å; V181-R191 VanDerWaalsContact O-CA 3.3Å; V181-R191 WeakPolarHBondContact O-CA 3.39Å; V181-T192 HydrophobicContact CB-CG2 3.93Å; V181-T192 PolarHBondContact N-OG1 3.32Å; V181-T192 VanDerWaalsContact N-OG1 3.16Å; V181-T192 PolarHBondContact O-N 2.81Å
182	A	97.5	Very high	96.1	Very high	4 Å²	4	20.3 Å²	20.3	3%	0.033	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	118.4	-173.6	0	0	0	0	0	110.7	F120 A121 E123 I189 R190 R191	F120-A182 CarbonylContact C-O 3.43Å; F120-A182 WeakPolarHBondContact CA-O 3.35Å; F120-A182 WeakPolarHBondContact CB-O 3.15Å; A121-A182 PolarHBondContact N-O 3.45Å; A121-A182 PolarHBondContact O-N 3.09Å; E123-A182 VanDerWaalsContact CD-CB 3.47Å; E123-A182 HydrophobicContact CG-CB 3.98Å; A182-I189 HydrophobicContact CB-CG2 3.8Å; A182-R190 CarbonylContact C-O 3.58Å; A182-R190 WeakPolarHBondContact CA-O 3.48Å; A182-R191 HydrophobicContact CB-CG 3.87Å
183	V	97	Very high	95.9	Very high	3 Å²	3	26.3 Å²	26.3	2%	0.018	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	121.1	172.7	174.4	0	0	0	0	108.8	F65 L66 I68 F109 F120 T185 R190	F65-V183 HydrophobicContact CB-CG1 4.48Å; L66-V183 HydrophobicContact CB-CG1 4.24Å; L66-V183 HydrophobicContact CB-CG2 4.07Å; I68-V183 HydrophobicContact CD1-CG2 3.79Å; I68-V183 HydrophobicContact CG1-CG2 4.24Å; F109-V183 HydrophobicContact CE1-CG2 4.34Å; F120-V183 HydrophobicContact CB-CG2 4.06Å; V183-T185 HydrophobicContact CG1-CG2 4.46Å; V183-R190 PolarHBondContact N-O 2.95Å; V183-R190 PolarHBondContact O-N 3.08Å
184	Q	94.8	Very high	95.7	Very high	65 Å²	65	29.6 Å²	29.6	30%	0.304	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	125.4	177.1	-177.2	-178.1	-3.1	0	0	109.8	K119 R146	K119-Q184 HydrophobicContact CB-CB 3.99Å; K119-Q184 PolarHBondContact O-N 3.15Å; R146-Q184 VanDerWaalsContact NH1-OE1 3.09Å
185	T	92.7	Very high	95.5	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.031	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	167.4	173.7	77.1	0	0	0	0	110	L62 F65 V183 F187 G188	L62-T185 HydrophobicContact CD2-CG2 4.24Å; F65-T185 HydrophobicContact CB-CG2 3.86Å; F65-T185 HydrophobicContact CD1-CG2 3.92Å; F65-T185 HydrophobicContact CD2-CG2 3.63Å; F65-T185 HydrophobicContact CE1-CG2 4.44Å; F65-T185 HydrophobicContact CE2-CG2 4.18Å; F65-T185 HydrophobicContact CG-CG2 3.5Å; V183-T185 HydrophobicContact CG1-CG2 4.46Å; T185-F187 PolarHBondContact O-N 3.09Å; T185-F187 PolarHBondContact OG1-N 3.48Å; T185-G188 WeakPolarHBondContact CA-O 3.38Å; T185-G188 PolarHBondContact N-O 3.44Å; T185-G188 PolarHBondContact O-N 2.71Å; T185-G188 PolarHBondContact OG1-N 2.95Å; T185-G188 VanDerWaalsContact OG1-N 3.14Å; T185-G188 PolarHBondContact OG1-O 2.67Å
186	P	90.6	Very high	95.2	Very high	94 Å²	94	37.4 Å²	37.4	61%	0.61	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-20.9	171	-24.3	35.7	0	0	0	113.9	F65	F65-P186 HydrophobicContact CE1-CG 4.22Å; F65-P186 HydrophobicContact CZ-CG 4.1Å
187	F	90.6	Very high	95	Very high	77 Å²	77	37.6 Å²	37.6	34%	0.338	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-7.2	-173.7	-49.5	-67.2	0	0	0	113.5	F50 F51 P60 L62 F65 T185	F50-F187 CarbonylContact C-O 3.53Å; F50-F187 VanDerWaalsContact CA-O 3.31Å; F50-F187 WeakPolarHBondContact CA-O 3.15Å; F50-F187 WeakPolarHBondContact CD1-O 3.19Å; F51-F187 PolarHBondContact N-O 2.9Å; P60-F187 HydrophobicContact CB-CE2 4.18Å; P60-F187 HydrophobicContact CB-CZ 4.21Å; P60-F187 HydrophobicContact CG-CB 4.4Å; P60-F187 HydrophobicContact CG-CD1 3.45Å; P60-F187 VanDerWaalsContact CG-CD1 3.45Å; P60-F187 HydrophobicContact CG-CD2 3.51Å; P60-F187 HydrophobicContact CG-CE1 3.42Å; P60-F187 VanDerWaalsContact CG-CE1 3.42Å; P60-F187 HydrophobicContact CG-CE2 3.45Å; P60-F187 VanDerWaalsContact CG-CE2 3.45Å; P60-F187 HydrophobicContact CG-CG 3.49Å; P60-F187 VanDerWaalsContact CG-CG 3.49Å; P60-F187 HydrophobicContact CG-CZ 3.41Å; P60-F187 VanDerWaalsContact CG-CZ 3.41Å; L62-F187 HydrophobicContact CD2-CB 4.34Å; L62-F187 HydrophobicContact CD2-CD2 3.88Å; F65-F187 HydrophobicContact CE2-CD2 4.14Å; F65-F187 HydrophobicContact CE2-CE2 4.08Å; F65-F187 HydrophobicContact CZ-CD2 4.4Å; F65-F187 HydrophobicContact CZ-CE2 4.14Å; T185-F187 PolarHBondContact O-N 3.09Å; T185-F187 PolarHBondContact OG1-N 3.48Å
188	G	92.1	Very high	94.9	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	154.2	-176.5	-173	0	0	0	0	0	114.2	E49 F51 T185	E49-G188 CarbonylContact O-C 3.53Å; E49-G188 WeakPolarHBondContact O-CA 3.29Å; F51-G188 VanDerWaalsContact CD2-N 3.35Å; T185-G188 WeakPolarHBondContact CA-O 3.38Å; T185-G188 PolarHBondContact N-O 3.44Å; T185-G188 PolarHBondContact O-N 2.71Å; T185-G188 PolarHBondContact OG1-N 2.95Å; T185-G188 VanDerWaalsContact OG1-N 3.14Å; T185-G188 PolarHBondContact OG1-O 2.67Å
189	I	94.9	Very high	94.9	Very high	29 Å²	29	38.1 Å²	38.1	15%	0.149	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	127	176.2	-56	175.6	0	0	0	108.9	L48 E49 F51 A182 R191	L48-I189 WeakPolarHBondContact CA-O 3.18Å; E49-I189 PolarHBondContact N-O 3.5Å; E49-I189 PolarHBondContact O-N 3.1Å; F51-I189 HydrophobicContact CE1-CD1 4.33Å; F51-I189 HydrophobicContact CE1-CG1 4.02Å; F51-I189 HydrophobicContact CZ-CD1 4.21Å; F51-I189 HydrophobicContact CZ-CG1 3.7Å; A182-I189 HydrophobicContact CB-CG2 3.8Å; I189-R191 HydrophobicContact CG2-CG 3.93Å
190	R	94.8	Very high	94.9	Very high	44 Å²	44	38.1 Å²	38.1	17%	0.166	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	124.6	170	176.8	172	60	-178.8	-12.7	109.3	E47 L48 F65 L66 D67 A182 V183	E47-R190 CarbonylContact O-C 3.51Å; E47-R190 WeakPolarHBondContact O-CA 3.42Å; L48-R190 HydrophobicContact CD1-CB 4.11Å; F65-R190 PolarHBondContact O-NH2 3.13Å; L66-R190 PolarHBondContact O-NH2 3.32Å; D67-R190 VanDerWaalsContact CG-NH1 3.34Å; D67-R190 IonicContact OD1-CZ 3.45Å; D67-R190 IonicContact OD1-NE 2.77Å; D67-R190 IonicContact OD1-NH1 2.77Å; D67-R190 PolarHBondContact OD1-NH1 2.94Å; D67-R190 IonicContact OD1-NH2 2.6Å; D67-R190 IonicContact OD2-NH1 3.96Å; A182-R190 CarbonylContact C-O 3.58Å; A182-R190 WeakPolarHBondContact CA-O 3.48Å; V183-R190 PolarHBondContact N-O 2.95Å; V183-R190 PolarHBondContact O-N 3.08Å
191	R	96	Very high	94.9	Very high	19 Å²	19	38 Å²	38	7%	0.072	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	154.6	-178.9	-58.1	-177.1	176.5	88.5	0.2	111	P46 E47 E49 E123 V181 A182 I189	P46-R191 PolarHBondContact O-NH1 3.4Å; E47-R191 PolarHBondContact O-N 3.26Å; E49-R191 IonicContact OE2-CZ 3.52Å; E49-R191 IonicContact OE2-NH1 3.82Å; E49-R191 PolarHBondContact OE2-NH1 2.68Å; E49-R191 IonicContact OE2-NH2 3.9Å; E49-R191 PolarHBondContact OE2-NH2 3.1Å; E123-R191 IonicContact OE1-CZ 3.2Å; E123-R191 IonicContact OE1-NE 3.81Å; E123-R191 PolarHBondContact OE1-NE 3.16Å; E123-R191 IonicContact OE1-NH2 3.43Å; E123-R191 VanDerWaalsContact OE2-CD 3.22Å; E123-R191 WeakPolarHBondContact OE2-CD 3.39Å; E123-R191 IonicContact OE2-CZ 3.6Å; E123-R191 IonicContact OE2-NE 3.38Å; E123-R191 PolarHBondContact OE2-NE 3.14Å; V181-R191 CarbonylContact O-C 3.37Å; V181-R191 VanDerWaalsContact O-CA 3.3Å; V181-R191 WeakPolarHBondContact O-CA 3.39Å; A182-R191 HydrophobicContact CB-CG 3.87Å; I189-R191 HydrophobicContact CG2-CG 3.93Å
192	T	96.6	Very high	94.9	Very high	18 Å²	18	38 Å²	38	11%	0.11	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-58.4	151.7	162.3	53.7	0	0	0	0	111	I68 V71 Y180 V181 R198	I68-T192 HydrophobicContact CB-CG2 3.89Å; I68-T192 HydrophobicContact CD1-CG2 4.33Å; I68-T192 HydrophobicContact CG1-CG2 4.17Å; I68-T192 HydrophobicContact CG2-CG2 3.66Å; V71-T192 HydrophobicContact CG2-CG2 4.37Å; Y180-T192 WeakPolarHBondContact CA-OG1 3.25Å; Y180-T192 WeakPolarHBondContact CD1-O 3.38Å; V181-T192 HydrophobicContact CB-CG2 3.93Å; V181-T192 PolarHBondContact N-OG1 3.32Å; V181-T192 VanDerWaalsContact N-OG1 3.16Å; V181-T192 PolarHBondContact O-N 2.81Å; T192-R198 PolarHBondContact OG1-NH1 2.98Å
193	K	94.3	Very high	95	Very high	134 Å²	134	37.9 Å²	37.9	58%	0.583	19%	0.187	S	C	*	.	P	Polyproline II helix	trans	-59.8	164.8	169.9	-46.1	-154	163.6	-175.6	0	111.9	E47 R198	E47-K193 VanDerWaalsContact CD-CG 3.45Å; E47-K193 HydrophobicContact CG-CG 4.32Å; E47-K193 WeakPolarHBondContact OE1-CB 3.33Å; E47-K193 WeakPolarHBondContact OE1-CD 3.5Å; E47-K193 WeakPolarHBondContact OE1-CE 3.27Å; E47-K193 WeakPolarHBondContact OE1-CG 3.26Å; E47-K193 WeakPolarHBondContact OE2-CE 3.41Å; K193-R198 PolarHBondContact O-NH2 3.03Å
194	R	93.2	Very high	95.1	Very high	83 Å²	83	37.8 Å²	37.8	31%	0.313	19%	0.186	S	C	.	.	P	Polyproline II helix	trans	-64.9	135.8	167.1	179	68.9	-173.6	107.8	12.1	110.3	H178 Y180 N196 D199	H178-R194 PolarHBondContact CE1-NH2 3.11Å; H178-R194 PolarHBondContact ND1-NH1 3.23Å; H178-R194 PolarHBondContact ND1-NH2 3.24Å; Y180-R194 HydrophobicContact CE1-CB 4.5Å; Y180-R194 VanDerWaalsContact OH-CD 3.29Å; Y180-R194 WeakPolarHBondContact OH-CD 3.35Å; R194-N196 PolarHBondContact NH2-OD1 2.8Å; R194-D199 IonicContact CZ-OD1 2.7Å; R194-D199 IonicContact NH1-OD1 3.85Å; R194-D199 PolarHBondContact NH1-OD1 2.78Å; R194-D199 VanDerWaalsContact NH2-CG 3.26Å; R194-D199 IonicContact NH2-OD1 2.76Å; R194-D199 PolarHBondContact NH2-OD1 3.37Å; R194-D199 IonicContact NH2-OD2 3.94Å; R194-D199 PolarHBondContact NH2-OD2 2.76Å
195	D	94.1	Very high	95.3	Very high	60 Å²	60	34.7 Å²	34.7	32%	0.321	17%	0.172	S	C	.	.			trans	-150.9	120.9	176.3	173.6	8.1	0	0	0	110.2	S197 R198	D195-S197 PolarHBondContact O-N 2.8Å; D195-S197 VanDerWaalsContact OD1-CB 3.27Å; D195-S197 WeakPolarHBondContact OD1-CB 3.37Å; D195-S197 PolarHBondContact OD1-N 2.86Å; D195-S197 PolarHBondContact OD1-OG 2.8Å; D195-S197 PolarHBondContact OD2-OG 2.92Å; D195-R198 PolarHBondContact O-N 3.48Å; D195-R198 VanDerWaalsContact O-N 3.15Å; D195-R198 IonicContact OD2-NE 2.75Å; D195-R198 PolarHBondContact OD2-NE 3.49Å; D195-R198 IonicContact OD2-NH2 3.78Å
196	N	93.3	Very high	95.6	Very high	105 Å²	105	34.5 Å²	34.5	56%	0.561	17%	0.17	S	C	*	.	G	3₁₀ helix	trans	-65.3	-23.1	-178.1	-63.8	-13.5	0	0	0	112.8	N94 R194 R198 D199	N94-N196 PolarHBondContact OD1-O 2.86Å; R194-N196 PolarHBondContact NH2-OD1 2.8Å; N196-R198 PolarHBondContact O-N 2.96Å; N196-D199 VanDerWaalsContact O-CB 3.28Å; N196-D199 WeakPolarHBondContact O-CB 3.41Å; N196-D199 PolarHBondContact O-N 2.74Å; N196-D199 VanDerWaalsContact O-N 3.08Å
197	S	94.5	Very high	96	Very high	35 Å²	35	31.7 Å²	31.7	25%	0.245	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-66.3	-18.7	177.5	92.7	0	0	0	0	112.5	R75 D195	R75-S197 PolarHBondContact NH1-O 2.82Å; R75-S197 PolarHBondContact NH1-OG 3.14Å; D195-S197 PolarHBondContact O-N 2.8Å; D195-S197 VanDerWaalsContact OD1-CB 3.27Å; D195-S197 WeakPolarHBondContact OD1-CB 3.37Å; D195-S197 PolarHBondContact OD1-N 2.86Å; D195-S197 PolarHBondContact OD1-OG 2.8Å; D195-S197 PolarHBondContact OD2-OG 2.92Å
198	R	95.9	Very high	96.3	Very high	18 Å²	18	28.7 Å²	28.7	7%	0.068	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-97.3	9.5	176.9	-66	-179.5	-78.8	138.1	-10.9	113.1	M73 M179 T192 K193 D195 N196	M73-R198 HydrophobicContact CG-CB 4.32Å; M73-R198 HydrophobicContact CG-CG 4Å; M73-R198 HydrophobicContact SD-CB 4.22Å; M73-R198 HydrophobicContact SD-CG 4.18Å; M179-R198 HydrophobicContact CB-CB 4.46Å; M179-R198 WeakPolarHBondContact CB-O 3.12Å; M179-R198 PolarHBondContact O-NH1 3.39Å; T192-R198 PolarHBondContact OG1-NH1 2.98Å; K193-R198 PolarHBondContact O-NH2 3.03Å; D195-R198 PolarHBondContact O-N 3.48Å; D195-R198 VanDerWaalsContact O-N 3.15Å; D195-R198 IonicContact OD2-NE 2.75Å; D195-R198 PolarHBondContact OD2-NE 3.49Å; D195-R198 IonicContact OD2-NH2 3.78Å; N196-R198 PolarHBondContact O-N 2.96Å
199	D	96.4	Very high	96.6	Very high	3 Å²	3	32.1 Å²	32.1	2%	0.016	17%	0.166	C	C	.	.			trans	-67.1	144.6	167.9	-69.9	-11.1	0	0	0	110.6	K176 Y177 H178 R194 N196	K176-D199 VanDerWaalsContact CE-CB 3.47Å; K176-D199 VanDerWaalsContact CE-CG 3.5Å; K176-D199 WeakPolarHBondContact CE-OD2 3.43Å; K176-D199 IonicContact NZ-OD2 2.95Å; K176-D199 PolarHBondContact NZ-OD2 3.4Å; K176-D199 VanDerWaalsContact NZ-OD2 3.12Å; Y177-D199 WeakPolarHBondContact O-CA 3.48Å; H178-D199 IonicContact CE1-OD1 3.49Å; H178-D199 IonicContact CE1-OD2 3.59Å; H178-D199 IonicContact CG-OD1 2.94Å; H178-D199 IonicContact ND1-OD1 2.67Å; H178-D199 PolarHBondContact ND1-OD1 3.05Å; H178-D199 IonicContact ND1-OD2 3.14Å; R194-D199 IonicContact CZ-OD1 2.7Å; R194-D199 IonicContact NH1-OD1 3.85Å; R194-D199 PolarHBondContact NH1-OD1 2.78Å; R194-D199 VanDerWaalsContact NH2-CG 3.26Å; R194-D199 IonicContact NH2-OD1 2.76Å; R194-D199 PolarHBondContact NH2-OD1 3.37Å; R194-D199 IonicContact NH2-OD2 3.94Å; R194-D199 PolarHBondContact NH2-OD2 2.76Å; N196-D199 VanDerWaalsContact O-CB 3.28Å; N196-D199 WeakPolarHBondContact O-CB 3.41Å; N196-D199 PolarHBondContact O-N 2.74Å; N196-D199 VanDerWaalsContact O-N 3.08Å
200	L	97.1	Very high	96.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	133.1	-170.5	147.3	76.5	0	0	0	108.3	M73 L95 V97 F103 F124 K176 Y177 I202	M73-L200 HydrophobicContact CE-CB 4.19Å; L95-L200 HydrophobicContact CB-CD1 4.46Å; L95-L200 HydrophobicContact CD2-CD1 4.02Å; L95-L200 HydrophobicContact CG-CD1 4.05Å; L95-L200 CarbonylContact O-C 3.37Å; L95-L200 WeakPolarHBondContact O-CA 3.16Å; V97-L200 HydrophobicContact CB-CD1 4.48Å; V97-L200 HydrophobicContact CG1-CD1 4.28Å; V97-L200 HydrophobicContact CG2-CD1 3.59Å; F103-L200 HydrophobicContact CZ-CD2 4.08Å; F124-L200 HydrophobicContact CD1-CD2 3.5Å; F124-L200 VanDerWaalsContact CD1-CD2 3.5Å; F124-L200 HydrophobicContact CE1-CD2 3.31Å; F124-L200 HydrophobicContact CZ-CD2 4.39Å; K176-L200 CarbonylContact C-O 3.57Å; K176-L200 WeakPolarHBondContact CA-O 3.33Å; Y177-L200 PolarHBondContact N-O 2.79Å; Y177-L200 PolarHBondContact O-N 2.87Å; L200-I202 HydrophobicContact CD1-CG1 3.98Å; L200-I202 HydrophobicContact CD2-CD1 4.14Å; L200-I202 HydrophobicContact CD2-CG1 4.17Å; L200-I202 HydrophobicContact CG-CD1 4.48Å; L200-I202 HydrophobicContact CG-CG1 3.96Å
201	Y	98.8	Very high	96.9	Very high	3 Å²	3	35.9 Å²	35.9	1%	0.012	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	133.6	169.4	-60.9	-102.1	0	0	0	109.3	N94 L95 I96 V97 G175 K176 L255 D256 L259	N94-Y201 HydrophobicContact CB-CD2 4.15Å; N94-Y201 HydrophobicContact CB-CE2 3.8Å; L95-Y201 PolarHBondContact O-N 3.33Å; I96-Y201 WeakPolarHBondContact CA-O 3.47Å; I96-Y201 HydrophobicContact CG1-CD2 3.96Å; I96-Y201 HydrophobicContact CG1-CG 4.29Å; V97-Y201 PolarHBondContact N-O 3.13Å; G175-Y201 WeakPolarHBondContact O-CA 3.41Å; K176-Y201 HydrophobicContact CB-CD1 3.98Å; K176-Y201 HydrophobicContact CB-CE1 3.86Å; K176-Y201 HydrophobicContact CD-CE1 3.95Å; K176-Y201 HydrophobicContact CD-CE2 4.38Å; K176-Y201 HydrophobicContact CG-CD1 4.25Å; K176-Y201 HydrophobicContact CG-CE1 3.92Å; K176-Y201 HydrophobicContact CG-CE2 4.33Å; Y201-L255 HydrophobicContact CD1-CD2 3.52Å; Y201-L255 HydrophobicContact CD1-CG 3.94Å; Y201-L255 HydrophobicContact CD2-CD2 4.39Å; Y201-L255 HydrophobicContact CE1-CD2 4Å; Y201-L255 HydrophobicContact CE1-CG 4.14Å; Y201-L255 HydrophobicContact CG-CD2 3.74Å; Y201-D256 WeakPolarHBondContact CE1-OD1 3.14Å; Y201-D256 PolarHBondContact OH-OD1 3.11Å; Y201-L259 HydrophobicContact CD1-CD1 3.85Å; Y201-L259 HydrophobicContact CE1-CD1 3.7Å
202	I	98.9	Very high	97.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	124.4	170.7	-53.7	-176.6	0	0	0	108.5	V97 R99 W150 P168 V174 G175 Y177 L200	V97-I202 HydrophobicContact CG2-CB 4.49Å; V97-I202 HydrophobicContact CG2-CG1 3.88Å; V97-I202 HydrophobicContact CG2-CG2 4.46Å; V97-I202 WeakPolarHBondContact O-CA 2.96Å; R99-I202 HydrophobicContact CB-CG2 3.8Å; W150-I202 HydrophobicContact CH2-CD1 3.13Å; W150-I202 HydrophobicContact CZ2-CD1 3.85Å; W150-I202 HydrophobicContact CZ3-CD1 3.77Å; P168-I202 HydrophobicContact CB-CD1 4.32Å; P168-I202 HydrophobicContact CG-CD1 4.1Å; V174-I202 VanDerWaalsContact CA-O 3.31Å; V174-I202 WeakPolarHBondContact CA-O 3.23Å; V174-I202 WeakPolarHBondContact CG1-O 3.42Å; G175-I202 PolarHBondContact N-O 2.83Å; G175-I202 PolarHBondContact O-N 2.65Å; Y177-I202 HydrophobicContact CD2-CB 4.34Å; Y177-I202 HydrophobicContact CD2-CD1 3.95Å; Y177-I202 HydrophobicContact CD2-CG1 3.9Å; Y177-I202 HydrophobicContact CE2-CB 3.96Å; Y177-I202 HydrophobicContact CE2-CD1 3.8Å; Y177-I202 HydrophobicContact CE2-CG1 3.91Å; L200-I202 HydrophobicContact CD1-CG1 3.98Å; L200-I202 HydrophobicContact CD2-CD1 4.14Å; L200-I202 HydrophobicContact CD2-CG1 4.17Å; L200-I202 HydrophobicContact CG-CD1 4.48Å; L200-I202 HydrophobicContact CG-CG1 3.96Å
203	L	98.9	Very high	97.2	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	168.3	-177.3	-54.8	-174.7	0	0	0	111.8	T87 Y90 I96 V97 R98 R99 L255 L348	T87-L203 HydrophobicContact CG2-CD1 4.39Å; Y90-L203 HydrophobicContact CE1-CD1 4.25Å; Y90-L203 HydrophobicContact CE2-CD1 4.03Å; Y90-L203 VanDerWaalsContact OH-CD1 3.27Å; Y90-L203 WeakPolarHBondContact OH-CD1 3.23Å; I96-L203 HydrophobicContact CG2-CD1 3.61Å; I96-L203 HydrophobicContact CG2-CG 3.89Å; V97-L203 PolarHBondContact O-N 2.89Å; R98-L203 WeakPolarHBondContact CA-O 3.39Å; R98-L203 HydrophobicContact CG-CB 4.37Å; R99-L203 WeakPolarHBondContact CG-O 3.13Å; R99-L203 PolarHBondContact N-O 3.4Å; L203-L255 HydrophobicContact CD2-CD1 3.85Å; L203-L255 HydrophobicContact CD2-CD2 4.41Å; L203-L348 WeakPolarHBondContact CB-O 3.19Å
204	F	98.9	Very high	97.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.177	C	C	.	.			trans	-60.5	150	165.9	-71.9	-78.9	0	0	0	111	R98 R99 V174 V213 R272 P275 V278 L348 I350	R98-F204 PolarHBondContact NH1-O 2.86Å; R99-F204 VanDerWaalsContact NH2-CE1 3.35Å; V174-F204 HydrophobicContact CB-CD2 4.35Å; V174-F204 HydrophobicContact CB-CE2 4.07Å; V174-F204 HydrophobicContact CB-CZ 4.47Å; V174-F204 HydrophobicContact CG1-CD2 4.25Å; V174-F204 HydrophobicContact CG1-CE2 4.21Å; V174-F204 HydrophobicContact CG2-CD1 4.14Å; V174-F204 HydrophobicContact CG2-CD2 3.67Å; V174-F204 HydrophobicContact CG2-CE1 4.14Å; V174-F204 HydrophobicContact CG2-CE2 3.67Å; V174-F204 HydrophobicContact CG2-CG 3.89Å; V174-F204 HydrophobicContact CG2-CZ 3.9Å; F204-V213 HydrophobicContact CB-CG2 3.75Å; F204-V213 HydrophobicContact CD1-CG1 4.1Å; F204-V213 HydrophobicContact CD1-CG2 4.28Å; F204-V213 HydrophobicContact CG-CG2 4.39Å; F204-R272 WeakPolarHBondContact CZ-O 3.17Å; F204-P275 HydrophobicContact CE1-CB 3.97Å; F204-P275 HydrophobicContact CE1-CG 4.35Å; F204-P275 HydrophobicContact CZ-CB 4.19Å; F204-V278 HydrophobicContact CE2-CG2 4.38Å; F204-V278 HydrophobicContact CZ-CG2 4.17Å; F204-L348 WeakPolarHBondContact CB-O 3.15Å; F204-L348 HydrophobicContact CD2-CB 4.21Å; F204-L348 WeakPolarHBondContact CD2-O 3.46Å; F204-L348 PolarHBondContact N-O 2.89Å; F204-I350 HydrophobicContact CB-CG1 4.37Å; F204-I350 HydrophobicContact CD2-CD1 3.91Å; F204-I350 HydrophobicContact CD2-CG1 3.46Å; F204-I350 VanDerWaalsContact CD2-CG1 3.46Å; F204-I350 HydrophobicContact CE2-CD1 3.72Å; F204-I350 HydrophobicContact CE2-CG1 3.84Å; F204-I350 HydrophobicContact CG-CG1 3.89Å; F204-I350 HydrophobicContact CZ-CD1 4.29Å
205	N	98.9	Very high	97.6	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	16%	0.163	C	C	.	.			trans	-122.9	93.4	-175	-162.2	-7.6	0	0	0	113.7	R98 R99 W207 A208 D211	R98-N205 HydrophobicContact CB-CB 3.66Å; R99-N205 HydrophobicContact CG-CB 4.25Å; R99-N205 WeakPolarHBondContact O-CB 3.28Å; R99-N205 PolarHBondContact O-ND2 2.77Å; N205-W207 PolarHBondContact O-N 2.83Å; N205-W207 VanDerWaalsContact O-N 3.14Å; N205-W207 WeakPolarHBondContact OD1-CB 3.23Å; N205-W207 PolarHBondContact OD1-N 3.1Å; N205-A208 HydrophobicContact CB-CB 4.01Å; N205-A208 WeakPolarHBondContact ND2-CB 3.16Å; N205-A208 PolarHBondContact O-N 2.99Å; N205-A208 PolarHBondContact OD1-N 3.28Å; N205-D211 WeakPolarHBondContact CA-OD2 3.44Å; N205-D211 HydrophobicContact CB-CB 4.38Å; N205-D211 WeakPolarHBondContact CB-OD2 3.34Å; N205-D211 PolarHBondContact N-OD2 3.47Å; N205-D211 WeakPolarHBondContact O-CB 3.42Å
206	P	98.7	Very high	97.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	-3.5	176.6	26.6	-27.6	0	0	0	113.7	V213 F214 L215 R221 V225 G349 P351	P206-V213 WeakPolarHBondContact CA-O 3.14Å; P206-V213 HydrophobicContact CB-CG2 4.41Å; P206-V213 WeakPolarHBondContact CB-O 3.22Å; P206-F214 WeakPolarHBondContact O-CD2 3.38Å; P206-L215 PolarHBondContact O-N 2.83Å; P206-L215 VanDerWaalsContact O-N 3.11Å; P206-R221 HydrophobicContact CB-CG 4.37Å; P206-R221 VanDerWaalsContact O-CD 3.25Å; P206-R221 WeakPolarHBondContact O-CD 3.38Å; P206-R221 PolarHBondContact O-NH1 2.91Å; P206-V225 HydrophobicContact CB-CG2 4.44Å; P206-V225 HydrophobicContact CG-CG1 4.39Å; P206-V225 HydrophobicContact CG-CG2 3.8Å; P206-G349 WeakPolarHBondContact CD-O 3.48Å; P206-P351 HydrophobicContact CB-CG 3.58Å; P206-P351 HydrophobicContact CG-CG 4.21Å
207	W	98.7	Very high	98	Very high	35 Å²	35	29.8 Å²	29.8	13%	0.133	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-12.3	174.4	-67.8	-91.9	0	0	0	114.3	R86 N205 E218 R221 V225 M226	R86-W207 HydrophobicContact CB-CH2 4.27Å; R86-W207 HydrophobicContact CB-CZ3 4.39Å; R86-W207 HydrophobicContact CG-CZ2 4.39Å; N205-W207 PolarHBondContact O-N 2.83Å; N205-W207 VanDerWaalsContact O-N 3.14Å; N205-W207 WeakPolarHBondContact OD1-CB 3.23Å; N205-W207 PolarHBondContact OD1-N 3.1Å; W207-E218 PolarHBondContact NE1-OE2 3.03Å; W207-R221 VanDerWaalsContact CD1-NE 3.34Å; W207-R221 HydrophobicContact CZ2-CB 3.93Å; W207-R221 VanDerWaalsContact NE1-NE 3.19Å; W207-V225 HydrophobicContact CH2-CB 4.31Å; W207-V225 HydrophobicContact CH2-CG1 4.11Å; W207-V225 HydrophobicContact CZ3-CG1 4.31Å; W207-M226 HydrophobicContact CH2-CG 3.94Å; W207-M226 HydrophobicContact CH2-SD 3.78Å; W207-M226 HydrophobicContact CZ2-CG 4.2Å
208	A	98.3	Very high	98.1	Very high	15 Å²	15	32.2 Å²	32.2	12%	0.124	18%	0.178	C	C	.	.			trans	-95.6	119.7	179.1	0	0	0	0	0	110.7	N205 D210 D211 F214	N205-A208 HydrophobicContact CB-CB 4.01Å; N205-A208 WeakPolarHBondContact ND2-CB 3.16Å; N205-A208 PolarHBondContact O-N 2.99Å; N205-A208 PolarHBondContact OD1-N 3.28Å; A208-D210 PolarHBondContact O-N 3.31Å; A208-D210 VanDerWaalsContact O-N 3.14Å; A208-D211 HydrophobicContact CB-CB 4.18Å; A208-D211 VanDerWaalsContact O-CB 3.3Å; A208-D211 WeakPolarHBondContact O-CB 3.36Å; A208-D211 PolarHBondContact O-N 3.4Å; A208-F214 VanDerWaalsContact C-CD2 3.48Å; A208-F214 VanDerWaalsContact O-CB 3.32Å; A208-F214 WeakPolarHBondContact O-CB 3.38Å; A208-F214 WeakPolarHBondContact O-CD2 3.41Å
209	A	97.6	Very high	98.2	Very high	72 Å²	72	33.8 Å²	33.8	60%	0.595	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-28.7	-177	0	0	0	0	0	114.3	D211 F214	A209-D211 VanDerWaalsContact C-N 3.32Å; A209-F214 HydrophobicContact CB-CD1 4.41Å; A209-F214 HydrophobicContact CB-CE1 4.29Å; A209-F214 HydrophobicContact CB-CE2 4.4Å; A209-F214 HydrophobicContact CB-CZ 4.29Å
210	D	97.8	Very high	98.3	Very high	149 Å²	149	34.7 Å²	34.7	80%	0.797	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-7.2	178.5	-63	-32.7	0	0	0	113.3	A170 A208	A170-D210 HydrophobicContact CB-CB 3.75Å; A208-D210 PolarHBondContact O-N 3.31Å; A208-D210 VanDerWaalsContact O-N 3.14Å
211	D	98.8	Very high	98.3	Very high	3 Å²	3	36 Å²	36	2%	0.016	20%	0.204	C	C	.	.	S	Bend	trans	-79.9	137.6	177	-164.4	-43.5	0	0	0	110.5	R99 N205 A208 A209 V213 F214	R99-D211 WeakPolarHBondContact CG-OD2 3.42Å; R99-D211 IonicContact CZ-OD1 3.26Å; R99-D211 IonicContact CZ-OD2 2.85Å; R99-D211 IonicContact NE-OD1 3.1Å; R99-D211 PolarHBondContact NE-OD1 3.41Å; R99-D211 IonicContact NE-OD2 3.9Å; R99-D211 PolarHBondContact NE-OD2 2.85Å; R99-D211 IonicContact NH2-OD1 2.67Å; R99-D211 PolarHBondContact NH2-OD1 2.89Å; R99-D211 IonicContact NH2-OD2 3.99Å; N205-D211 WeakPolarHBondContact CA-OD2 3.44Å; N205-D211 HydrophobicContact CB-CB 4.38Å; N205-D211 WeakPolarHBondContact CB-OD2 3.34Å; N205-D211 PolarHBondContact N-OD2 3.47Å; N205-D211 WeakPolarHBondContact O-CB 3.42Å; A208-D211 HydrophobicContact CB-CB 4.18Å; A208-D211 VanDerWaalsContact O-CB 3.3Å; A208-D211 WeakPolarHBondContact O-CB 3.36Å; A208-D211 PolarHBondContact O-N 3.4Å; A209-D211 VanDerWaalsContact C-N 3.32Å; D211-V213 PolarHBondContact O-N 2.93Å; D211-V213 WeakPolarHBondContact OD1-CG2 3.23Å; D211-V213 PolarHBondContact OD1-N 2.72Å; D211-F214 WeakPolarHBondContact O-CB 3.25Å; D211-F214 PolarHBondContact O-N 3.39Å
212	A	98.7	Very high	98.3	Very high	26 Å²	26	39.7 Å²	39.7	22%	0.215	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-18.8	175.6	0	0	0	0	0	114.4	P275 M400 T401	A212-P275 HydrophobicContact CB-CG 3.87Å; A212-M400 CarbonylContact O-C 3.55Å; A212-M400 VanDerWaalsContact O-CA 3.29Å; A212-M400 WeakPolarHBondContact O-CA 3.33Å; A212-T401 WeakPolarHBondContact CA-OG1 3.37Å; A212-T401 WeakPolarHBondContact CB-OG1 3.24Å; A212-T401 PolarHBondContact O-N 2.83Å; A212-T401 PolarHBondContact O-OG1 3.17Å
213	V	98.8	Very high	98.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	15.6	176.6	-54.6	0	0	0	0	114	F204 P206 D211 L215 P275 I350 M400	F204-V213 HydrophobicContact CB-CG2 3.75Å; F204-V213 HydrophobicContact CD1-CG1 4.1Å; F204-V213 HydrophobicContact CD1-CG2 4.28Å; F204-V213 HydrophobicContact CG-CG2 4.39Å; P206-V213 WeakPolarHBondContact CA-O 3.14Å; P206-V213 HydrophobicContact CB-CG2 4.41Å; P206-V213 WeakPolarHBondContact CB-O 3.22Å; D211-V213 PolarHBondContact O-N 2.93Å; D211-V213 WeakPolarHBondContact OD1-CG2 3.23Å; D211-V213 PolarHBondContact OD1-N 2.72Å; V213-L215 PolarHBondContact O-N 3.33Å; V213-P275 HydrophobicContact CG1-CB 3.78Å; V213-P275 HydrophobicContact CG1-CG 4Å; V213-I350 HydrophobicContact CG1-CG1 4.36Å; V213-I350 HydrophobicContact CG1-CG2 4.3Å; V213-M400 HydrophobicContact CG1-CB 4.3Å
214	F	98.8	Very high	98.2	Very high	65 Å²	65	40.1 Å²	40.1	29%	0.285	22%	0.224	S	C	.	.			trans	-54.4	127.3	176.9	178.9	-119.6	0	0	0	111.7	P206 A208 A209 D211 D216 Y399	P206-F214 WeakPolarHBondContact O-CD2 3.38Å; A208-F214 VanDerWaalsContact C-CD2 3.48Å; A208-F214 VanDerWaalsContact O-CB 3.32Å; A208-F214 WeakPolarHBondContact O-CB 3.38Å; A208-F214 WeakPolarHBondContact O-CD2 3.41Å; A209-F214 HydrophobicContact CB-CD1 4.41Å; A209-F214 HydrophobicContact CB-CE1 4.29Å; A209-F214 HydrophobicContact CB-CE2 4.4Å; A209-F214 HydrophobicContact CB-CZ 4.29Å; D211-F214 WeakPolarHBondContact O-CB 3.25Å; D211-F214 PolarHBondContact O-N 3.39Å; F214-D216 HydrophobicContact CE1-CB 3.81Å; F214-D216 HydrophobicContact CZ-CB 3.96Å; F214-Y399 WeakPolarHBondContact O-CE1 3.44Å
215	L	98.1	Very high	98.2	Very high	6 Å²	6	40.1 Å²	40.1	3%	0.031	22%	0.224	C	C	.	.			trans	-123	116.4	175.1	-177.4	59.9	0	0	0	107.9	P206 V213 D217 E220 R221 P351 Y399	P206-L215 PolarHBondContact O-N 2.83Å; P206-L215 VanDerWaalsContact O-N 3.11Å; V213-L215 PolarHBondContact O-N 3.33Å; L215-D217 VanDerWaalsContact C-N 3.32Å; L215-D217 PolarHBondContact O-N 2.93Å; L215-E220 HydrophobicContact CD2-CB 3.62Å; L215-E220 HydrophobicContact CG-CB 4.26Å; L215-R221 HydrophobicContact CB-CG 3.89Å; L215-R221 HydrophobicContact CD2-CG 4.1Å; L215-R221 HydrophobicContact CG-CG 4.14Å; L215-R221 WeakPolarHBondContact O-CD 3.39Å; L215-R221 PolarHBondContact O-NE 2.88Å; L215-R221 PolarHBondContact O-NH1 2.9Å; L215-P351 HydrophobicContact CB-CG 4.34Å; L215-P351 HydrophobicContact CD2-CB 3.94Å; L215-P351 HydrophobicContact CD2-CG 4.24Å; L215-Y399 HydrophobicContact CB-CD1 4.32Å; L215-Y399 HydrophobicContact CB-CE1 4.5Å; L215-Y399 HydrophobicContact CD1-CD1 4.03Å; L215-Y399 HydrophobicContact CD1-CD2 3.66Å; L215-Y399 HydrophobicContact CD1-CE1 3.92Å; L215-Y399 HydrophobicContact CD1-CE2 3.48Å; L215-Y399 VanDerWaalsContact CD1-CE2 3.48Å; L215-Y399 HydrophobicContact CD1-CG 3.9Å
216	D	96.9	Very high	98.1	Very high	119 Å²	119	41.2 Å²	41.2	64%	0.636	23%	0.229	S	C	*	.			trans	-75.7	-20	-172	61.2	-12.3	0	0	0	113.4	F214	F214-D216 HydrophobicContact CE1-CB 3.81Å; F214-D216 HydrophobicContact CZ-CB 3.96Å
217	D	97.9	Very high	98	Very high	75 Å²	75	43.3 Å²	43.3	40%	0.401	24%	0.24	S	C	.	.			trans	-82.9	116.4	175.1	-170.8	-66.4	0	0	0	112.6	L215 A219 E220 R221	L215-D217 VanDerWaalsContact C-N 3.32Å; L215-D217 PolarHBondContact O-N 2.93Å; D217-A219 WeakPolarHBondContact OD1-CA 3.23Å; D217-A219 WeakPolarHBondContact OD1-CB 3.45Å; D217-A219 PolarHBondContact OD1-N 2.82Å; D217-E220 HydrophobicContact CB-CB 4.02Å; D217-E220 HydrophobicContact CB-CG 4.05Å; D217-E220 PolarHBondContact OD1-N 2.77Å; D217-R221 WeakPolarHBondContact O-CG 3.12Å; D217-R221 PolarHBondContact O-N 2.8Å
218	E	97.3	Very high	97.8	Very high	85 Å²	85	42.5 Å²	42.5	40%	0.397	24%	0.238	S	C	.	.	H	α-helix	trans	-67.2	-37.6	-179.9	-179.2	57.9	-162	0	0	113.2	W207 E220 R221 Q222	W207-E218 PolarHBondContact NE1-OE2 3.03Å; E218-E220 VanDerWaalsContact C-N 3.34Å; E218-R221 PolarHBondContact O-N 2.82Å; E218-R221 IonicContact OE2-CZ 2.72Å; E218-R221 IonicContact OE2-NE 3.7Å; E218-R221 PolarHBondContact OE2-NE 2.9Å; E218-R221 IonicContact OE2-NH2 2.71Å; E218-R221 PolarHBondContact OE2-NH2 2.83Å; E218-Q222 WeakPolarHBondContact O-CG 3.27Å; E218-Q222 PolarHBondContact O-N 3.02Å; E218-Q222 PolarHBondContact OE1-NE2 3.49Å
219	A	97.4	Very high	97.7	Very high	52 Å²	52	42.4 Å²	42.4	43%	0.43	24%	0.235	S	C	.	.	H	α-helix	trans	-67.4	-39.1	-179.7	0	0	0	0	0	111	D217 Q222 E223	D217-A219 WeakPolarHBondContact OD1-CA 3.23Å; D217-A219 WeakPolarHBondContact OD1-CB 3.45Å; D217-A219 PolarHBondContact OD1-N 2.82Å; A219-Q222 PolarHBondContact O-N 2.72Å; A219-E223 WeakPolarHBondContact O-CB 3.4Å; A219-E223 PolarHBondContact O-N 3.18Å
220	E	98.1	Very high	97.6	Very high	21 Å²	21	39 Å²	39	10%	0.098	21%	0.207	C	C	.	.	H	α-helix	trans	-67.9	-36	173.3	-70.3	-77.6	-167.6	0	0	111.9	L215 D217 E218 E223 C224 A489 R495	L215-E220 HydrophobicContact CD2-CB 3.62Å; L215-E220 HydrophobicContact CG-CB 4.26Å; D217-E220 HydrophobicContact CB-CB 4.02Å; D217-E220 HydrophobicContact CB-CG 4.05Å; D217-E220 PolarHBondContact OD1-N 2.77Å; E218-E220 VanDerWaalsContact C-N 3.34Å; E220-E223 PolarHBondContact O-N 2.88Å; E220-C224 WeakPolarHBondContact O-CA 3.23Å; E220-C224 WeakPolarHBondContact O-CB 3.2Å; E220-C224 PolarHBondContact O-N 3.18Å; E220-C224 PolarHBondContact OE2-SG 2.99Å; E220-C224 VanDerWaalsContact OE2-SG 3.33Å; E220-A489 HydrophobicContact CG-CB 4.48Å; E220-R495 IonicContact OE1-CZ 3.56Å; E220-R495 IonicContact OE1-NH1 3.45Å; E220-R495 PolarHBondContact OE1-NH1 2.89Å; E220-R495 IonicContact OE1-NH2 3.5Å; E220-R495 PolarHBondContact OE1-NH2 2.79Å; E220-R495 VanDerWaalsContact OE1-NH2 3.11Å; E220-R495 IonicContact OE2-NH2 2.71Å
221	R	98.3	Very high	97.5	Very high	27 Å²	27	32 Å²	32	10%	0.102	17%	0.17	C	C	.	.	H	α-helix	trans	-63.4	-43.3	172.1	-74.5	-173.1	-63.1	-144.7	-4.2	112.1	P206 W207 L215 D217 E218 V225 M226	P206-R221 HydrophobicContact CB-CG 4.37Å; P206-R221 VanDerWaalsContact O-CD 3.25Å; P206-R221 WeakPolarHBondContact O-CD 3.38Å; P206-R221 PolarHBondContact O-NH1 2.91Å; W207-R221 VanDerWaalsContact CD1-NE 3.34Å; W207-R221 HydrophobicContact CZ2-CB 3.93Å; W207-R221 VanDerWaalsContact NE1-NE 3.19Å; L215-R221 HydrophobicContact CB-CG 3.89Å; L215-R221 HydrophobicContact CD2-CG 4.1Å; L215-R221 HydrophobicContact CG-CG 4.14Å; L215-R221 WeakPolarHBondContact O-CD 3.39Å; L215-R221 PolarHBondContact O-NE 2.88Å; L215-R221 PolarHBondContact O-NH1 2.9Å; D217-R221 WeakPolarHBondContact O-CG 3.12Å; D217-R221 PolarHBondContact O-N 2.8Å; E218-R221 PolarHBondContact O-N 2.82Å; E218-R221 IonicContact OE2-CZ 2.72Å; E218-R221 IonicContact OE2-NE 3.7Å; E218-R221 PolarHBondContact OE2-NE 2.9Å; E218-R221 IonicContact OE2-NH2 2.71Å; E218-R221 PolarHBondContact OE2-NH2 2.83Å; R221-V225 VanDerWaalsContact O-CB 3.26Å; R221-V225 WeakPolarHBondContact O-CB 3.28Å; R221-V225 PolarHBondContact O-N 2.96Å; R221-M226 PolarHBondContact O-N 3.17Å
222	Q	98	Very high	97.5	Very high	81 Å²	81	32 Å²	32	38%	0.379	17%	0.17	S	C	.	.	I	π-helix	trans	-62.6	-44.2	176.2	-66.5	-54.5	-37.9	0	0	111	E218 A219 M226 N227	E218-Q222 WeakPolarHBondContact O-CG 3.27Å; E218-Q222 PolarHBondContact O-N 3.02Å; E218-Q222 PolarHBondContact OE1-NE2 3.49Å; A219-Q222 PolarHBondContact O-N 2.72Å; Q222-M226 CarbonylContact O-C 3.53Å; Q222-M226 WeakPolarHBondContact O-CA 3.19Å; Q222-M226 WeakPolarHBondContact O-CB 3.43Å; Q222-M226 PolarHBondContact O-N 3.12Å; Q222-N227 PolarHBondContact O-N 2.82Å
223	E	98.1	Very high	97.4	Very high	10 Å²	10	30.9 Å²	30.9	5%	0.047	16%	0.16	C	C	.	.	I	π-helix	trans	-70.8	-47.1	179	-179.4	62.3	-156.7	0	0	113.5	A219 E220 N227 R346 K487 A489	A219-E223 WeakPolarHBondContact O-CB 3.4Å; A219-E223 PolarHBondContact O-N 3.18Å; E220-E223 PolarHBondContact O-N 2.88Å; E223-N227 WeakPolarHBondContact O-CB 3.48Å; E223-N227 PolarHBondContact OE1-ND2 2.91Å; E223-N227 PolarHBondContact OE2-ND2 2.91Å; E223-R346 PolarHBondContact O-NH1 3.47Å; E223-R346 PolarHBondContact O-NH2 3.46Å; E223-K487 WeakPolarHBondContact OE1-CD 3.47Å; E223-K487 WeakPolarHBondContact OE1-CE 3.3Å; E223-K487 IonicContact OE1-NZ 3.88Å; E223-K487 PolarHBondContact OE1-NZ 3.49Å; E223-K487 IonicContact OE2-NZ 2.72Å; E223-K487 PolarHBondContact OE2-NZ 3.08Å; E223-A489 HydrophobicContact CB-CB 3.95Å; E223-A489 HydrophobicContact CG-CB 4.29Å
224	C	98.4	Very high	97.2	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.007	16%	0.163	C	C	.	.	I	π-helix	trans	-92.3	-2.1	-167.6	-64.9	0	0	0	0	113.8	E220 R346 P351 S352 W412	E220-C224 WeakPolarHBondContact O-CA 3.23Å; E220-C224 WeakPolarHBondContact O-CB 3.2Å; E220-C224 PolarHBondContact O-N 3.18Å; E220-C224 PolarHBondContact OE2-SG 2.99Å; E220-C224 VanDerWaalsContact OE2-SG 3.33Å; C224-R346 VanDerWaalsContact O-CG 3.3Å; C224-R346 WeakPolarHBondContact O-CG 3.39Å; C224-R346 PolarHBondContact O-NE 3.1Å; C224-P351 HydrophobicContact CB-CB 4.07Å; C224-P351 WeakPolarHBondContact O-CA 3.32Å; C224-S352 PolarHBondContact O-N 3.41Å; C224-W412 HydrophobicContact CB-CH2 4.31Å
225	V	98.6	Very high	96.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.15	C	C	.	.	I	π-helix	trans	-130.7	-50.9	176.3	-172.6	0	0	0	0	111.1	P206 W207 R221 Q249 P351	P206-V225 HydrophobicContact CB-CG2 4.44Å; P206-V225 HydrophobicContact CG-CG1 4.39Å; P206-V225 HydrophobicContact CG-CG2 3.8Å; W207-V225 HydrophobicContact CH2-CB 4.31Å; W207-V225 HydrophobicContact CH2-CG1 4.11Å; W207-V225 HydrophobicContact CZ3-CG1 4.31Å; R221-V225 VanDerWaalsContact O-CB 3.26Å; R221-V225 WeakPolarHBondContact O-CB 3.28Å; R221-V225 PolarHBondContact O-N 2.96Å; V225-Q249 PolarHBondContact O-NE2 3.41Å; V225-P351 HydrophobicContact CG2-CB 3.93Å; V225-P351 HydrophobicContact CG2-CG 3.84Å
226	M	97.6	Very high	96.3	Very high	23 Å²	23	28.3 Å²	28.3	11%	0.113	15%	0.149	C	C	.	.	I	π-helix	trans	-88.3	-25.6	-170	-57.7	-54.8	-65.1	0	0	114	R86 L89 W207 R221 Q222 F250	R86-M226 HydrophobicContact CB-CE 4.26Å; R86-M226 HydrophobicContact CB-SD 4.31Å; L89-M226 HydrophobicContact CD1-CE 3.73Å; L89-M226 HydrophobicContact CG-CE 4.29Å; W207-M226 HydrophobicContact CH2-CG 3.94Å; W207-M226 HydrophobicContact CH2-SD 3.78Å; W207-M226 HydrophobicContact CZ2-CG 4.2Å; R221-M226 PolarHBondContact O-N 3.17Å; Q222-M226 CarbonylContact O-C 3.53Å; Q222-M226 WeakPolarHBondContact O-CA 3.19Å; Q222-M226 WeakPolarHBondContact O-CB 3.43Å; Q222-M226 PolarHBondContact O-N 3.12Å; M226-F250 HydrophobicContact CE-CE2 4.49Å; M226-F250 HydrophobicContact CE-CZ 4.1Å; M226-F250 WeakPolarHBondContact O-CE2 3.48Å; M226-F250 HydrophobicContact SD-CZ 4.2Å
227	N	96.4	Very high	95.8	Very high	44 Å²	44	26.7 Å²	26.7	24%	0.235	13%	0.134	C	C	.	.			trans	-76.7	127.1	-179.5	-166.7	-2.3	0	0	0	111.3	Q222 E223 L229 Q249 R346 K487	Q222-N227 PolarHBondContact O-N 2.82Å; E223-N227 WeakPolarHBondContact O-CB 3.48Å; E223-N227 PolarHBondContact OE1-ND2 2.91Å; E223-N227 PolarHBondContact OE2-ND2 2.91Å; N227-L229 PolarHBondContact ND2-O 2.91Å; N227-L229 PolarHBondContact OD1-N 3.41Å; N227-L229 PolarHBondContact OD1-O 2.94Å; N227-Q249 PolarHBondContact O-NE2 3.2Å; N227-R346 PolarHBondContact O-NH1 2.67Å; N227-K487 PolarHBondContact ND2-NZ 3.44Å
228	E	94.8	Very high	95.4	Very high	19 Å²	19	25.8 Å²	25.8	9%	0.089	13%	0.129	C	C	.	.			trans	-93.5	-13.5	176.4	-68.3	166.3	115.8	0	0	112.6	Y247 F250 P686 R715	E228-Y247 WeakPolarHBondContact O-CB 3.32Å; E228-Y247 PolarHBondContact O-N 3.01Å; E228-F250 HydrophobicContact CG-CD2 3.62Å; E228-F250 HydrophobicContact CG-CE2 3.91Å; E228-F250 WeakPolarHBondContact OE1-CB 3.4Å; E228-F250 WeakPolarHBondContact OE1-CD2 3.41Å; E228-P686 HydrophobicContact CB-CB 4.06Å; E228-R715 IonicContact OE1-CZ 3.61Å; E228-R715 IonicContact OE1-NH1 3.11Å; E228-R715 PolarHBondContact OE1-NH1 3.26Å; E228-R715 IonicContact OE1-NH2 3.74Å; E228-R715 PolarHBondContact OE1-NH2 2.99Å; E228-R715 IonicContact OE2-CZ 3.43Å; E228-R715 VanDerWaalsContact OE2-CZ 3.24Å; E228-R715 IonicContact OE2-NH1 3.33Å; E228-R715 PolarHBondContact OE2-NH1 2.66Å; E228-R715 IonicContact OE2-NH2 2.65Å; E228-R715 PolarHBondContact OE2-NH2 2.84Å
229	L	94.8	Very high	95.1	Very high	13 Å²	13	23.6 Å²	23.6	7%	0.068	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	117.3	178.9	176	63.2	0	0	0	110.5	N227 N244 P686 R720 M722	N227-L229 PolarHBondContact ND2-O 2.91Å; N227-L229 PolarHBondContact OD1-N 3.41Å; N227-L229 PolarHBondContact OD1-O 2.94Å; L229-N244 HydrophobicContact CD1-CB 4.47Å; L229-P686 HydrophobicContact CB-CG 4.31Å; L229-P686 HydrophobicContact CD1-CG 4.17Å; L229-R720 HydrophobicContact CD2-CG 3.93Å; L229-M722 HydrophobicContact CD1-CE 3.33Å
230	G	95.8	Very high	94.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	156.8	172.7	0	0	0	0	0	113.1	N244 W245	G230-N244 WeakPolarHBondContact O-CA 3.35Å; G230-W245 PolarHBondContact N-O 2.88Å; G230-W245 PolarHBondContact O-N 2.88Å
231	I	96.9	Very high	94.6	Very high	3 Å²	3	23 Å²	23	2%	0.015	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	124.6	165.2	-60.8	172.2	0	0	0	106.7	Y233 E242 R243 K487 D492	I231-Y233 HydrophobicContact CG2-CD1 4.47Å; I231-Y233 HydrophobicContact CG2-CE1 3.85Å; I231-Y233 HydrophobicContact CG2-CE2 4.4Å; I231-E242 HydrophobicContact CG2-CB 4.02Å; I231-E242 HydrophobicContact CG2-CG 4.09Å; I231-R243 CarbonylContact C-O 3.45Å; I231-R243 WeakPolarHBondContact CA-O 3.45Å; I231-K487 HydrophobicContact CB-CD 4.05Å; I231-K487 HydrophobicContact CB-CG 4.37Å; I231-K487 HydrophobicContact CD1-CD 4.18Å; I231-K487 HydrophobicContact CG1-CD 3.99Å; I231-D492 HydrophobicContact CD1-CB 4.01Å; I231-D492 WeakPolarHBondContact CD1-O 3.41Å
232	I	97.9	Very high	94.4	Very high	3 Å²	3	26 Å²	26	2%	0.015	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	126	178	-52.3	170.8	0	0	0	107.7	R243 W245 W335 A339 V354	I232-R243 HydrophobicContact CB-CB 4.43Å; I232-R243 PolarHBondContact N-O 3.13Å; I232-R243 PolarHBondContact O-N 3.35Å; I232-W245 HydrophobicContact CD1-CB 4.02Å; I232-W245 HydrophobicContact CD1-CD2 4.22Å; I232-W245 HydrophobicContact CD1-CE3 4.19Å; I232-W245 HydrophobicContact CD1-CG 4.18Å; I232-W245 HydrophobicContact CG1-CB 4.45Å; I232-W335 HydrophobicContact CD1-CB 4.42Å; I232-W335 HydrophobicContact CG2-CB 4Å; I232-A339 HydrophobicContact CD1-CB 3.74Å; I232-V354 HydrophobicContact CG1-CG1 4.31Å; I232-V354 HydrophobicContact CG2-CG1 4.2Å
233	Y	97.2	Very high	94.2	Very high	1 Å²	1	22.8 Å²	22.8	0%	0.004	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	144.3	179.4	-57.9	-75.5	0	0	0	110.3	I231 V240 S241 E242 T356 L485 G493 R494	I231-Y233 HydrophobicContact CG2-CD1 4.47Å; I231-Y233 HydrophobicContact CG2-CE1 3.85Å; I231-Y233 HydrophobicContact CG2-CE2 4.4Å; Y233-V240 HydrophobicContact CD1-CG1 3.83Å; Y233-V240 HydrophobicContact CG-CG1 4.42Å; Y233-S241 WeakPolarHBondContact CA-O 3.38Å; Y233-E242 HydrophobicContact CD1-CG 3.97Å; Y233-E242 HydrophobicContact CE1-CG 3.82Å; Y233-T356 WeakPolarHBondContact O-CG2 3.49Å; Y233-T356 PolarHBondContact O-OG1 3.13Å; Y233-L485 HydrophobicContact CD1-CD1 4.26Å; Y233-L485 HydrophobicContact CD2-CB 3.67Å; Y233-L485 HydrophobicContact CD2-CD1 4.37Å; Y233-L485 HydrophobicContact CE2-CB 4.36Å; Y233-L485 HydrophobicContact CG-CB 4.03Å; Y233-L485 HydrophobicContact CG-CD1 3.95Å; Y233-G493 PolarHBondContact OH-O 2.71Å; Y233-R494 HydrophobicContact CD1-CB 4.41Å; Y233-R494 HydrophobicContact CE1-CB 3.61Å; Y233-R494 HydrophobicContact CE2-CB 3.99Å; Y233-R494 WeakPolarHBondContact OH-CA 3.38Å; Y233-R494 WeakPolarHBondContact OH-CB 3.47Å; Y233-R494 PolarHBondContact OH-N 2.85Å
234	H	93.6	Very high	94	Very high	17 Å²	17	23.5 Å²	23.5	8%	0.079	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	-162.4	179.2	69.1	-64.2	0	0	0	109.9	S241 E242 Y358 Y392 Q732	H234-S241 VanDerWaalsContact CE1-C 3.46Å; H234-S241 WeakPolarHBondContact CE1-CB 3.47Å; H234-S241 PolarHBondContact N-O 3.48Å; H234-S241 VanDerWaalsContact ND1-C 3.28Å; H234-S241 PolarHBondContact ND1-O 2.78Å; H234-S241 WeakPolarHBondContact NE2-CB 3.42Å; H234-S241 PolarHBondContact O-N 3.34Å; H234-E242 VanDerWaalsContact CE1-C 3.47Å; H234-E242 PolarHBondContact CE1-N 2.87Å; H234-E242 PolarHBondContact CE1-O 2.97Å; H234-Y358 PolarHBondContact N-OH 2.87Å; H234-Y358 PolarHBondContact O-OH 3.18Å; H234-Y392 HydrophobicContact CB-CD1 4.15Å; H234-Y392 HydrophobicContact CB-CD2 4.39Å; H234-Y392 HydrophobicContact CB-CE1 3.62Å; H234-Y392 HydrophobicContact CB-CE2 3.89Å; H234-Y392 VanDerWaalsContact CB-CZ 3.46Å; H234-Q732 PolarHBondContact CD2-NE2 2.99Å; H234-Q732 PolarHBondContact NE2-NE2 3.07Å
235	G	90.7	Very high	94	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	81.3	-146.6	-175.5	0	0	0	0	0	111	N391	G235-N391 PolarHBondContact O-ND2 3.27Å
236	A	87.1	Confident	93.9	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.008	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	162.3	179.1	0	0	0	0	0	111.5	D238 D239 V240	A236-D238 PolarHBondContact O-N 2.83Å; A236-D239 PolarHBondContact N-O 2.93Å; A236-D239 VanDerWaalsContact N-O 3.11Å; A236-D239 CarbonylContact O-C 3.57Å; A236-D239 PolarHBondContact O-N 2.86Å; A236-D239 VanDerWaalsContact O-N 3.17Å; A236-V240 WeakPolarHBondContact O-CG2 3.24Å; A236-V240 PolarHBondContact O-N 3.11Å
237	Y	87.8	Confident	93.9	Very high	85 Å²	85	22.6 Å²	22.6	33%	0.333	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-32.4	-179.1	87	-72.8	0	0	0	113.2	Y359 M483	Y237-Y359 HydrophobicContact CD1-CD2 4.44Å; Y237-Y359 AromaticContact CD1-CE2 3.28Å; Y237-Y359 HydrophobicContact CD1-CE2 3.28Å; Y237-Y359 AromaticContact CD1-CZ 3.62Å; Y237-Y359 WeakPolarHBondContact CD1-OH 3.49Å; Y237-Y359 HydrophobicContact CD2-CE2 4.38Å; Y237-Y359 AromaticContact CE1-CE2 3.91Å; Y237-Y359 HydrophobicContact CE1-CE2 3.91Å; Y237-Y359 VanDerWaalsContact CE1-OH 3.27Å; Y237-Y359 WeakPolarHBondContact CE1-OH 3.32Å; Y237-Y359 HydrophobicContact CG-CD2 4.38Å; Y237-Y359 AromaticContact CG-CE2 3.55Å; Y237-Y359 HydrophobicContact CG-CE2 3.55Å; Y237-M483 WeakPolarHBondContact O-CE 3.3Å
238	D	88.9	Confident	93.9	Very high	55 Å²	55	20.5 Å²	20.5	29%	0.294	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-4.8	179.3	56.4	-19.5	0	0	0	113.2	A236 K639	A236-D238 PolarHBondContact O-N 2.83Å; D238-K639 WeakPolarHBondContact OD2-CE 3.4Å; D238-K639 IonicContact OD2-NZ 3.69Å; D238-K639 PolarHBondContact OD2-NZ 2.87Å
239	D	90.3	Very high	94.1	Very high	39 Å²	39	19.6 Å²	19.6	21%	0.209	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	74.1	176.5	-174.4	22.7	0	0	0	110.2	A236 S241 H644	A236-D239 PolarHBondContact N-O 2.93Å; A236-D239 VanDerWaalsContact N-O 3.11Å; A236-D239 CarbonylContact O-C 3.57Å; A236-D239 PolarHBondContact O-N 2.86Å; A236-D239 VanDerWaalsContact O-N 3.17Å; D239-S241 PolarHBondContact O-N 3.44Å; D239-H644 IonicContact OD1-NE2 2.73Å; D239-H644 IonicContact OD2-CD2 3.75Å; D239-H644 IonicContact OD2-CE1 3.81Å; D239-H644 IonicContact OD2-NE2 3.73Å; D239-H644 PolarHBondContact OD2-NE2 2.86Å
240	V	92.9	Very high	94.2	Very high	31 Å²	31	19.1 Å²	19.1	19%	0.188	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	123.7	-174.6	171.4	0	0	0	0	110.3	Y233 A236 Y358 M483 L485	Y233-V240 HydrophobicContact CD1-CG1 3.83Å; Y233-V240 HydrophobicContact CG-CG1 4.42Å; A236-V240 WeakPolarHBondContact O-CG2 3.24Å; A236-V240 PolarHBondContact O-N 3.11Å; V240-Y358 WeakPolarHBondContact CG1-OH 3.12Å; V240-Y358 HydrophobicContact CG2-CE1 4.37Å; V240-Y358 HydrophobicContact CG2-CE2 4.47Å; V240-M483 HydrophobicContact CG2-CE 3.43Å; V240-M483 VanDerWaalsContact CG2-CE 3.43Å; V240-L485 HydrophobicContact CG1-CD1 3.97Å; V240-L485 HydrophobicContact CG2-CD1 4.23Å
241	S	92.5	Very high	94.2	Very high	31 Å²	31	20.5 Å²	20.5	22%	0.217	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	157.8	174.6	-69	0	0	0	0	111.9	Y233 H234 D239	Y233-S241 WeakPolarHBondContact CA-O 3.38Å; H234-S241 VanDerWaalsContact CE1-C 3.46Å; H234-S241 WeakPolarHBondContact CE1-CB 3.47Å; H234-S241 PolarHBondContact N-O 3.48Å; H234-S241 VanDerWaalsContact ND1-C 3.28Å; H234-S241 PolarHBondContact ND1-O 2.78Å; H234-S241 WeakPolarHBondContact NE2-CB 3.42Å; H234-S241 PolarHBondContact O-N 3.34Å; D239-S241 PolarHBondContact O-N 3.44Å
242	E	94.3	Very high	94.1	Very high	89 Å²	89	26.9 Å²	26.9	42%	0.416	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	140.1	-176	-64.4	-177.3	172.5	0	0	111.8	I231 Y233 H234	I231-E242 HydrophobicContact CG2-CB 4.02Å; I231-E242 HydrophobicContact CG2-CG 4.09Å; Y233-E242 HydrophobicContact CD1-CG 3.97Å; Y233-E242 HydrophobicContact CE1-CG 3.82Å; H234-E242 VanDerWaalsContact CE1-C 3.47Å; H234-E242 PolarHBondContact CE1-N 2.87Å; H234-E242 PolarHBondContact CE1-O 2.97Å
243	R	93.6	Very high	94.1	Very high	14 Å²	14	27.3 Å²	27.3	5%	0.053	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	121.1	170.9	179.9	-178.2	-63.3	-89.7	-0.1	108.9	I231 I232 T310 Q732	I231-R243 CarbonylContact C-O 3.45Å; I231-R243 WeakPolarHBondContact CA-O 3.45Å; I232-R243 HydrophobicContact CB-CB 4.43Å; I232-R243 PolarHBondContact N-O 3.13Å; I232-R243 PolarHBondContact O-N 3.35Å; R243-T310 PolarHBondContact NH1-O 2.87Å; R243-T310 VanDerWaalsContact NH1-O 3.09Å; R243-Q732 VanDerWaalsContact NH2-CD 3.3Å; R243-Q732 VanDerWaalsContact NH2-NE2 3.15Å
244	N	94.7	Very high	94.1	Very high	24 Å²	24	27.3 Å²	27.3	13%	0.128	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	145.9	172.9	-65.7	-95.8	0	0	0	109.2	L229 G230 R720 M722 Q736	L229-N244 HydrophobicContact CD1-CB 4.47Å; G230-N244 WeakPolarHBondContact O-CA 3.35Å; N244-R720 PolarHBondContact OD1-NH1 3.19Å; N244-M722 HydrophobicContact CB-CE 3.8Å; N244-M722 HydrophobicContact CB-SD 4.02Å; N244-Q736 PolarHBondContact ND2-OE1 3.05Å; N244-Q736 PolarHBondContact OD1-OE1 3.39Å
245	W	97.3	Very high	94.4	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	132.1	-177.6	-168.2	-88.5	0	0	0	111.2	G230 I232 Y247 W312 G314 S315 I318 V336 A339 V340	G230-W245 PolarHBondContact N-O 2.88Å; G230-W245 PolarHBondContact O-N 2.88Å; I232-W245 HydrophobicContact CD1-CB 4.02Å; I232-W245 HydrophobicContact CD1-CD2 4.22Å; I232-W245 HydrophobicContact CD1-CE3 4.19Å; I232-W245 HydrophobicContact CD1-CG 4.18Å; I232-W245 HydrophobicContact CG1-CB 4.45Å; W245-Y247 AromaticContact CD1-CD1 3.51Å; W245-Y247 AromaticContact CD1-CE1 3.74Å; W245-Y247 HydrophobicContact CG-CE1 4.48Å; W245-Y247 PolarHBondContact O-N 2.74Å; W245-W312 HydrophobicContact CH2-CB 3.48Å; W245-W312 VanDerWaalsContact CH2-CB 3.48Å; W245-W312 HydrophobicContact CH2-CG 4.35Å; W245-W312 HydrophobicContact CZ3-CB 3.74Å; W245-G314 VanDerWaalsContact CZ2-C 3.46Å; W245-S315 PolarHBondContact NE1-OG 3.11Å; W245-I318 HydrophobicContact CZ2-CD1 4.43Å; W245-V336 HydrophobicContact CH2-CG1 4.18Å; W245-V336 HydrophobicContact CH2-CG2 4.34Å; W245-A339 HydrophobicContact CD2-CB 3.66Å; W245-A339 HydrophobicContact CE3-CB 4.36Å; W245-A339 HydrophobicContact CG-CB 3.89Å; W245-A339 HydrophobicContact CH2-CB 4.42Å; W245-A339 HydrophobicContact CZ2-CB 3.75Å; W245-V340 HydrophobicContact CZ2-CG2 4.33Å
246	N	97.3	Very high	94.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	104.1	168.9	-176.6	14.6	0	0	0	110.5	G248 T313 G314 S315 E684 P686 M722	N246-G248 VanDerWaalsContact C-N 3.32Å; N246-G248 WeakPolarHBondContact OD1-CA 3.37Å; N246-G248 PolarHBondContact OD1-N 3.21Å; N246-T313 PolarHBondContact N-O 2.83Å; N246-G314 CarbonylContact O-C 3.55Å; N246-G314 WeakPolarHBondContact O-CA 3.12Å; N246-S315 PolarHBondContact O-N 3.11Å; N246-E684 HydrophobicContact CB-CG 4.31Å; N246-E684 WeakPolarHBondContact CB-OE2 3.19Å; N246-E684 PolarHBondContact ND2-OE2 2.87Å; N246-P686 HydrophobicContact CB-CG 3.82Å; N246-P686 WeakPolarHBondContact OD1-CA 3.33Å; N246-P686 WeakPolarHBondContact OD1-CB 3.47Å; N246-M722 HydrophobicContact CB-CE 4.47Å
247	Y	98.1	Very high	95.3	Very high	6 Å²	6	28.4 Å²	28.4	2%	0.024	14%	0.142	C	C	.	.			trans	-66.7	-36	173.7	-66.2	-52.7	0	0	0	111.9	E228 W245 Q249 A339 N342 S343 R346 V354	E228-Y247 WeakPolarHBondContact O-CB 3.32Å; E228-Y247 PolarHBondContact O-N 3.01Å; W245-Y247 AromaticContact CD1-CD1 3.51Å; W245-Y247 AromaticContact CD1-CE1 3.74Å; W245-Y247 HydrophobicContact CG-CE1 4.48Å; W245-Y247 PolarHBondContact O-N 2.74Å; Y247-Q249 PolarHBondContact O-N 3.46Å; Y247-Q249 VanDerWaalsContact O-N 3.1Å; Y247-A339 WeakPolarHBondContact CD1-O 3.36Å; Y247-A339 HydrophobicContact CE1-CB 4.21Å; Y247-N342 HydrophobicContact CD1-CB 4.16Å; Y247-N342 WeakPolarHBondContact CD1-ND2 3.39Å; Y247-N342 HydrophobicContact CE1-CB 3.77Å; Y247-N342 WeakPolarHBondContact CE1-ND2 3.33Å; Y247-N342 VanDerWaalsContact CE2-ND2 3.29Å; Y247-N342 WeakPolarHBondContact CE2-ND2 3.27Å; Y247-S343 WeakPolarHBondContact CA-OG 3.33Å; Y247-S343 WeakPolarHBondContact CB-OG 3.42Å; Y247-S343 WeakPolarHBondContact O-CB 3.42Å; Y247-S343 PolarHBondContact O-OG 2.83Å; Y247-R346 VanDerWaalsContact CE2-NH1 3.34Å; Y247-V354 HydrophobicContact CE1-CG2 4.23Å; Y247-V354 WeakPolarHBondContact OH-CG2 3.46Å
248	G	96.1	Very high	95.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.126	C	C	.	.			trans	55.7	28.1	172.2	0	0	0	0	0	115.3	N246 F250 N251	N246-G248 VanDerWaalsContact C-N 3.32Å; N246-G248 WeakPolarHBondContact OD1-CA 3.37Å; N246-G248 PolarHBondContact OD1-N 3.21Å; G248-F250 PolarHBondContact O-N 3.43Å; G248-N251 WeakPolarHBondContact O-CB 3.49Å; G248-N251 PolarHBondContact O-N 3.19Å; G248-N251 PolarHBondContact O-OD1 3.24Å
249	Q	97.9	Very high	96.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.4	-173.1	65.6	-90	24.7	0	0	114	V225 N227 Y247 R346 C347	V225-Q249 PolarHBondContact O-NE2 3.41Å; N227-Q249 PolarHBondContact O-NE2 3.2Å; Y247-Q249 PolarHBondContact O-N 3.46Å; Y247-Q249 VanDerWaalsContact O-N 3.1Å; Q249-R346 HydrophobicContact CB-CB 4.38Å; Q249-R346 HydrophobicContact CG-CB 4.09Å; Q249-C347 HydrophobicContact CB-CB 3.85Å; Q249-C347 PolarHBondContact O-SG 3.15Å
250	F	97.4	Very high	96.7	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.009	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-0.9	179.1	-53.9	-46.5	0	0	0	113.8	L89 Y90 H91 M226 E228 G248	L89-F250 HydrophobicContact CB-CB 4.24Å; L89-F250 HydrophobicContact CB-CD1 4.29Å; L89-F250 HydrophobicContact CB-CD2 3.58Å; L89-F250 HydrophobicContact CB-CE2 3.97Å; L89-F250 HydrophobicContact CB-CG 3.78Å; L89-F250 HydrophobicContact CB-CZ 4.49Å; L89-F250 HydrophobicContact CD1-CD2 3.82Å; L89-F250 HydrophobicContact CD1-CE2 3.57Å; L89-F250 HydrophobicContact CD1-CZ 4.34Å; L89-F250 HydrophobicContact CG-CD2 4.37Å; L89-F250 HydrophobicContact CG-CE2 4.43Å; L89-F250 WeakPolarHBondContact O-CB 3.42Å; Y90-F250 AromaticContact CD1-CD1 3.85Å; Y90-F250 HydrophobicContact CD1-CD1 3.85Å; Y90-F250 AromaticContact CD2-CD1 3.6Å; Y90-F250 HydrophobicContact CD2-CD1 3.6Å; Y90-F250 AromaticContact CD2-CE1 3.91Å; Y90-F250 HydrophobicContact CD2-CE1 3.91Å; Y90-F250 AromaticContact CE1-CD1 3.76Å; Y90-F250 HydrophobicContact CE1-CD1 3.76Å; Y90-F250 HydrophobicContact CE1-CE1 4.15Å; Y90-F250 AromaticContact CE2-CD1 3.5Å; Y90-F250 HydrophobicContact CE2-CD1 3.5Å; Y90-F250 VanDerWaalsContact CE2-CD1 3.5Å; Y90-F250 AromaticContact CE2-CE1 3.36Å; Y90-F250 HydrophobicContact CE2-CE1 3.36Å; Y90-F250 AromaticContact CG-CD1 3.78Å; Y90-F250 HydrophobicContact CG-CD1 3.78Å; Y90-F250 HydrophobicContact CG-CE1 4.49Å; Y90-F250 AromaticContact CZ-CD1 3.58Å; Y90-F250 AromaticContact CZ-CE1 3.5Å; Y90-F250 VanDerWaalsContact CZ-CE1 3.5Å; H91-F250 WeakPolarHBondContact CB-O 3.45Å; H91-F250 PolarHBondContact N-O 3.03Å; M226-F250 HydrophobicContact CE-CE2 4.49Å; M226-F250 HydrophobicContact CE-CZ 4.1Å; M226-F250 WeakPolarHBondContact O-CE2 3.48Å; M226-F250 HydrophobicContact SD-CZ 4.2Å; E228-F250 HydrophobicContact CG-CD2 3.62Å; E228-F250 HydrophobicContact CG-CE2 3.91Å; E228-F250 WeakPolarHBondContact OE1-CB 3.4Å; E228-F250 WeakPolarHBondContact OE1-CD2 3.41Å; G248-F250 PolarHBondContact O-N 3.43Å
251	N	95.9	Very high	96.9	Very high	30 Å²	30	19.8 Å²	19.8	16%	0.16	10%	0.099	C	C	.	.	S	Bend	trans	-64.6	152.5	177.1	-73.5	38.2	0	0	0	110.9	G248 G253 V254 T316	G248-N251 WeakPolarHBondContact O-CB 3.49Å; G248-N251 PolarHBondContact O-N 3.19Å; G248-N251 PolarHBondContact O-OD1 3.24Å; N251-G253 PolarHBondContact O-N 3.18Å; N251-V254 HydrophobicContact CB-CG2 3.88Å; N251-V254 WeakPolarHBondContact O-CB 3.41Å; N251-V254 PolarHBondContact O-N 2.99Å; N251-T316 HydrophobicContact CB-CG2 3.81Å
252	F	95.2	Very high	97.2	Very high	137 Å²	137	18.5 Å²	18.5	60%	0.601	9%	0.089	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	134.8	-179.4	-179	-106.9	0	0	0	111.4	H91 V254	H91-F252 HydrophobicContact CB-CB 4.28Å; H91-F252 AromaticContact CD2-CD2 3.73Å; H91-F252 AromaticContact CD2-CG 3.99Å; H91-F252 WeakPolarHBondContact O-CD2 3.34Å; F252-V254 PolarHBondContact O-N 3.41Å
253	G	96.8	Very high	97.3	Very high	12 Å²	12	14.9 Å²	14.9	12%	0.124	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	-10.4	178.1	0	0	0	0	0	115.8	N251 D256 A257	N251-G253 PolarHBondContact O-N 3.18Å; G253-D256 PolarHBondContact O-N 3.28Å; G253-A257 WeakPolarHBondContact O-CB 3.34Å; G253-A257 PolarHBondContact O-N 3Å
254	V	98.4	Very high	97.4	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-66.7	-39.5	-179.6	174.4	0	0	0	0	111.8	N251 F252 A257 C258 T316 L319 L320	N251-V254 HydrophobicContact CB-CG2 3.88Å; N251-V254 WeakPolarHBondContact O-CB 3.41Å; N251-V254 PolarHBondContact O-N 2.99Å; F252-V254 PolarHBondContact O-N 3.41Å; V254-A257 WeakPolarHBondContact O-CB 3.39Å; V254-A257 PolarHBondContact O-N 3.45Å; V254-C258 PolarHBondContact O-N 2.92Å; V254-C258 PolarHBondContact O-SG 2.81Å; V254-T316 HydrophobicContact CG2-CG2 4.07Å; V254-L319 HydrophobicContact CG1-CD1 3.85Å; V254-L320 HydrophobicContact CG2-CD2 4.3Å; V254-L320 HydrophobicContact CG2-CG 4.39Å
255	L	98.7	Very high	97.3	Very high	11 Å²	11	18.2 Å²	18.2	6%	0.058	8%	0.084	C	C	.	.	H	α-helix	trans	-62.1	-44.3	175.3	179.2	57.7	0	0	0	111.9	Y90 I96 Y201 L203 A257 C258 L259 C347 L348	Y90-L255 HydrophobicContact CD1-CB 4.46Å; Y90-L255 HydrophobicContact CD1-CD2 4.24Å; Y90-L255 HydrophobicContact CE1-CD2 4.31Å; I96-L255 HydrophobicContact CD1-CD2 3.82Å; I96-L255 HydrophobicContact CG1-CD2 4.5Å; Y201-L255 HydrophobicContact CD1-CD2 3.52Å; Y201-L255 HydrophobicContact CD1-CG 3.94Å; Y201-L255 HydrophobicContact CD2-CD2 4.39Å; Y201-L255 HydrophobicContact CE1-CD2 4Å; Y201-L255 HydrophobicContact CE1-CG 4.14Å; Y201-L255 HydrophobicContact CG-CD2 3.74Å; L203-L255 HydrophobicContact CD2-CD1 3.85Å; L203-L255 HydrophobicContact CD2-CD2 4.41Å; L255-A257 VanDerWaalsContact C-N 3.33Å; L255-A257 PolarHBondContact O-N 3.43Å; L255-C258 WeakPolarHBondContact O-CB 3.43Å; L255-C258 PolarHBondContact O-N 2.83Å; L255-L259 PolarHBondContact O-N 2.85Å; L255-C347 WeakPolarHBondContact CA-SG 3.22Å; L255-L348 HydrophobicContact CD1-CD2 4.07Å
256	D	98.5	Very high	97.2	Very high	30 Å²	30	25.4 Å²	25.4	16%	0.16	12%	0.118	C	C	.	.	H	α-helix	trans	-64.6	-38.1	175.9	-66.8	-50.9	0	0	0	111.7	F40 Y201 G253 C258 L259 Y260 F323	F40-D256 HydrophobicContact CE1-CB 4.29Å; F40-D256 HydrophobicContact CZ-CB 3.97Å; Y201-D256 WeakPolarHBondContact CE1-OD1 3.14Å; Y201-D256 PolarHBondContact OH-OD1 3.11Å; G253-D256 PolarHBondContact O-N 3.28Å; D256-C258 VanDerWaalsContact C-N 3.31Å; D256-C258 PolarHBondContact O-N 3.05Å; D256-L259 PolarHBondContact O-N 3.5Å; D256-Y260 WeakPolarHBondContact O-CB 3.17Å; D256-Y260 PolarHBondContact O-N 3.44Å; D256-F323 HydrophobicContact CB-CE1 4.47Å; D256-F323 HydrophobicContact CB-CZ 4.2Å
257	A	98.6	Very high	97.1	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.008	12%	0.119	C	C	.	.	H	α-helix	trans	-60.7	-40.1	173	0	0	0	0	0	111.9	G253 V254 L255 Y260 I261 L319 F323	G253-A257 WeakPolarHBondContact O-CB 3.34Å; G253-A257 PolarHBondContact O-N 3Å; V254-A257 WeakPolarHBondContact O-CB 3.39Å; V254-A257 PolarHBondContact O-N 3.45Å; L255-A257 VanDerWaalsContact C-N 3.33Å; L255-A257 PolarHBondContact O-N 3.43Å; A257-Y260 PolarHBondContact O-N 2.91Å; A257-I261 WeakPolarHBondContact O-CG1 3.49Å; A257-I261 PolarHBondContact O-N 3.37Å; A257-L319 HydrophobicContact CB-CB 4.26Å; A257-F323 HydrophobicContact CB-CB 3.71Å; A257-F323 HydrophobicContact CB-CD2 4.42Å; A257-F323 HydrophobicContact CB-CG 4.06Å
258	C	98.8	Very high	97	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-65.7	-42.6	176	-63.6	0	0	0	0	112.1	V254 L255 D256 Y260 I261 M262 F344 L348	V254-C258 PolarHBondContact O-N 2.92Å; V254-C258 PolarHBondContact O-SG 2.81Å; L255-C258 WeakPolarHBondContact O-CB 3.43Å; L255-C258 PolarHBondContact O-N 2.83Å; D256-C258 VanDerWaalsContact C-N 3.31Å; D256-C258 PolarHBondContact O-N 3.05Å; C258-Y260 VanDerWaalsContact C-N 3.32Å; C258-Y260 PolarHBondContact O-N 3.3Å; C258-I261 PolarHBondContact O-N 2.74Å; C258-M262 PolarHBondContact O-N 2.77Å; C258-F344 HydrophobicContact CB-CD2 3.75Å; C258-F344 HydrophobicContact CB-CE2 4.03Å; C258-F344 WeakPolarHBondContact O-CE2 3.28Å; C258-L348 HydrophobicContact CB-CD2 4.15Å; C258-L348 HydrophobicContact CB-CG 4.41Å
259	L	98.5	Very high	97	Very high	1 Å²	1	27 Å²	27	1%	0.005	13%	0.129	C	C	.	.	H	α-helix	trans	-62.8	-41.7	174.4	-62.5	-173.7	0	0	0	111.5	F40 K176 Y201 L255 D256 I261 M262 D263 L348	F40-L259 HydrophobicContact CE2-CB 4.11Å; F40-L259 HydrophobicContact CZ-CB 4.24Å; K176-L259 HydrophobicContact CB-CD1 3.91Å; Y201-L259 HydrophobicContact CD1-CD1 3.85Å; Y201-L259 HydrophobicContact CE1-CD1 3.7Å; L255-L259 PolarHBondContact O-N 2.85Å; D256-L259 PolarHBondContact O-N 3.5Å; L259-I261 VanDerWaalsContact C-N 3.31Å; L259-I261 PolarHBondContact O-N 3.21Å; L259-M262 HydrophobicContact CD2-CE 3.44Å; L259-M262 VanDerWaalsContact CD2-CE 3.44Å; L259-M262 WeakPolarHBondContact O-CA 3.5Å; L259-M262 WeakPolarHBondContact O-CB 3.16Å; L259-M262 PolarHBondContact O-N 3.09Å; L259-D263 PolarHBondContact O-N 3.28Å; L259-L348 HydrophobicContact CD2-CD2 4.11Å
260	Y	98.3	Very high	96.9	Very high	26 Å²	26	30.3 Å²	30.3	10%	0.102	15%	0.149	C	C	.	.	H	α-helix	trans	-63.1	-34.5	178	174.8	-104.3	0	0	0	113.2	D256 A257 C258 M262 D263 R264 Y322 F323 K326	D256-Y260 WeakPolarHBondContact O-CB 3.17Å; D256-Y260 PolarHBondContact O-N 3.44Å; A257-Y260 PolarHBondContact O-N 2.91Å; C258-Y260 VanDerWaalsContact C-N 3.32Å; C258-Y260 PolarHBondContact O-N 3.3Å; Y260-M262 VanDerWaalsContact C-N 3.28Å; Y260-M262 PolarHBondContact O-N 3.01Å; Y260-D263 PolarHBondContact O-N 3.07Å; Y260-R264 HydrophobicContact CD1-CG 4.05Å; Y260-R264 HydrophobicContact CD2-CG 4.08Å; Y260-R264 HydrophobicContact CE1-CG 3.49Å; Y260-R264 VanDerWaalsContact CE1-CG 3.49Å; Y260-R264 HydrophobicContact CE2-CG 3.5Å; Y260-R264 VanDerWaalsContact CE2-CG 3.5Å; Y260-R264 HydrophobicContact CG-CG 4.32Å; Y260-R264 VanDerWaalsContact CZ-CD 3.43Å; Y260-R264 WeakPolarHBondContact O-CB 3.2Å; Y260-R264 WeakPolarHBondContact O-CG 3.23Å; Y260-R264 PolarHBondContact O-N 3.02Å; Y260-R264 WeakPolarHBondContact OH-CD 3.35Å; Y260-R264 VanDerWaalsContact OH-CG 3.25Å; Y260-R264 WeakPolarHBondContact OH-CG 3.31Å; Y260-R264 PolarHBondContact OH-NE 3.47Å; Y260-Y322 HydrophobicContact CD1-CD1 4.21Å; Y260-Y322 AromaticContact CD1-CE1 3.94Å; Y260-Y322 HydrophobicContact CD1-CE1 3.94Å; Y260-Y322 HydrophobicContact CE1-CD1 4.11Å; Y260-Y322 AromaticContact CE1-CE1 3.69Å; Y260-Y322 HydrophobicContact CE1-CE1 3.69Å; Y260-F323 AromaticContact CD1-CD2 3.64Å; Y260-F323 HydrophobicContact CD1-CD2 3.64Å; Y260-F323 HydrophobicContact CD1-CE2 4.34Å; Y260-F323 HydrophobicContact CD2-CD2 4.27Å; Y260-F323 HydrophobicContact CD2-CE2 4.17Å; Y260-F323 HydrophobicContact CE1-CD2 4.44Å; Y260-F323 AromaticContact CG-CD2 3.53Å; Y260-F323 HydrophobicContact CG-CD2 3.53Å; Y260-F323 AromaticContact CG-CE2 3.78Å; Y260-F323 HydrophobicContact CG-CE2 3.78Å; Y260-K326 HydrophobicContact CE1-CD 3.88Å; Y260-K326 HydrophobicContact CE2-CD 3.81Å; Y260-K326 WeakPolarHBondContact OH-CD 3.24Å
261	I	98.5	Very high	96.9	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	16%	0.16	C	C	.	.	H	α-helix	trans	-58.8	-43.4	172.1	-71.7	163.8	0	0	0	110.2	A257 C258 L259 R264 S265 M285 V294 L319 Y322 F344	A257-I261 WeakPolarHBondContact O-CG1 3.49Å; A257-I261 PolarHBondContact O-N 3.37Å; C258-I261 PolarHBondContact O-N 2.74Å; L259-I261 VanDerWaalsContact C-N 3.31Å; L259-I261 PolarHBondContact O-N 3.21Å; I261-R264 PolarHBondContact O-N 2.91Å; I261-S265 WeakPolarHBondContact O-CB 3.42Å; I261-S265 PolarHBondContact O-N 3.11Å; I261-S265 VanDerWaalsContact O-N 3.14Å; I261-M285 HydrophobicContact CG2-CB 3.73Å; I261-M285 HydrophobicContact CG2-CG 4.33Å; I261-V294 HydrophobicContact CD1-CG2 3.58Å; I261-V294 HydrophobicContact CG1-CG2 3.75Å; I261-L319 HydrophobicContact CD1-CD2 3.75Å; I261-Y322 HydrophobicContact CG1-CD1 4.14Å; I261-Y322 HydrophobicContact CG1-CE1 3.94Å; I261-F344 HydrophobicContact CB-CE2 4.15Å; I261-F344 HydrophobicContact CD1-CD2 4.06Å; I261-F344 HydrophobicContact CG2-CE2 4.08Å
262	M	97.7	Very high	97	Very high	5 Å²	5	31 Å²	31	3%	0.025	15%	0.153	C	C	.	.	H	α-helix	trans	-67.2	-37.8	176.3	-65.3	-173.6	-73.8	0	0	112.3	C258 L259 Y260 S265 M267 R272 V278 F344 L348	C258-M262 PolarHBondContact O-N 2.77Å; L259-M262 HydrophobicContact CD2-CE 3.44Å; L259-M262 VanDerWaalsContact CD2-CE 3.44Å; L259-M262 WeakPolarHBondContact O-CA 3.5Å; L259-M262 WeakPolarHBondContact O-CB 3.16Å; L259-M262 PolarHBondContact O-N 3.09Å; Y260-M262 VanDerWaalsContact C-N 3.28Å; Y260-M262 PolarHBondContact O-N 3.01Å; M262-S265 PolarHBondContact O-N 3.39Å; M262-S265 PolarHBondContact O-OG 3.06Å; M262-M267 HydrophobicContact CG-SD 4.43Å; M262-M267 WeakPolarHBondContact O-CB 3.45Å; M262-M267 PolarHBondContact O-N 2.97Å; M262-M267 HydrophobicContact SD-SD 4.38Å; M262-R272 HydrophobicContact SD-CB 4.48Å; M262-R272 HydrophobicContact SD-CG 4.14Å; M262-V278 HydrophobicContact SD-CG1 4.29Å; M262-V278 HydrophobicContact SD-CG2 4.39Å; M262-F344 HydrophobicContact CG-CE2 4.31Å; M262-F344 HydrophobicContact CG-CZ 4.03Å; M262-F344 HydrophobicContact SD-CZ 4.4Å; M262-L348 HydrophobicContact CE-CD1 3.98Å; M262-L348 HydrophobicContact CE-CD2 4.25Å; M262-L348 HydrophobicContact SD-CD1 4.23Å
263	D	96.4	Very high	97.1	Very high	13 Å²	13	25 Å²	25	7%	0.07	13%	0.13	C	C	.	.	H	α-helix	trans	-64.4	-45.9	175.8	-59.7	-34.3	0	0	0	111.8	N39 F40 L259 Y260 S265 E266 R272	N39-D263 WeakPolarHBondContact CB-OD1 3.29Å; N39-D263 PolarHBondContact N-OD1 3.12Å; F40-D263 WeakPolarHBondContact CD2-OD2 3.16Å; F40-D263 VanDerWaalsContact CE2-OD2 3.24Å; F40-D263 WeakPolarHBondContact CE2-OD2 3.43Å; L259-D263 PolarHBondContact O-N 3.28Å; Y260-D263 PolarHBondContact O-N 3.07Å; D263-S265 PolarHBondContact O-N 3.43Å; D263-E266 WeakPolarHBondContact O-CA 3.29Å; D263-E266 PolarHBondContact O-N 2.61Å; D263-R272 IonicContact OD1-CZ 2.61Å; D263-R272 IonicContact OD1-NH1 3.91Å; D263-R272 PolarHBondContact OD1-NH1 3.24Å; D263-R272 IonicContact OD1-NH2 3.03Å; D263-R272 PolarHBondContact OD1-NH2 3.05Å
264	R	95.7	Very high	97.2	Very high	101 Å²	101	26.7 Å²	26.7	38%	0.381	14%	0.136	S	C	.	.	H	α-helix	trans	-62.8	-29.6	178.2	-76.8	-68.2	-90.9	159.4	-1.6	113.6	Y260 I261 E266 M285 K326	Y260-R264 HydrophobicContact CD1-CG 4.05Å; Y260-R264 HydrophobicContact CD2-CG 4.08Å; Y260-R264 HydrophobicContact CE1-CG 3.49Å; Y260-R264 VanDerWaalsContact CE1-CG 3.49Å; Y260-R264 HydrophobicContact CE2-CG 3.5Å; Y260-R264 VanDerWaalsContact CE2-CG 3.5Å; Y260-R264 HydrophobicContact CG-CG 4.32Å; Y260-R264 VanDerWaalsContact CZ-CD 3.43Å; Y260-R264 WeakPolarHBondContact O-CB 3.2Å; Y260-R264 WeakPolarHBondContact O-CG 3.23Å; Y260-R264 PolarHBondContact O-N 3.02Å; Y260-R264 WeakPolarHBondContact OH-CD 3.35Å; Y260-R264 VanDerWaalsContact OH-CG 3.25Å; Y260-R264 WeakPolarHBondContact OH-CG 3.31Å; Y260-R264 PolarHBondContact OH-NE 3.47Å; I261-R264 PolarHBondContact O-N 2.91Å; R264-E266 PolarHBondContact O-N 2.53Å; R264-M285 HydrophobicContact CB-CE 3.86Å; R264-K326 PolarHBondContact NH2-O 3.46Å
265	S	94.1	Very high	97.2	Very high	6 Å²	6	27 Å²	27	4%	0.042	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-4.6	175.4	91	0	0	0	0	113.4	I261 M262 D263 M267 K281 M285	I261-S265 WeakPolarHBondContact O-CB 3.42Å; I261-S265 PolarHBondContact O-N 3.11Å; I261-S265 VanDerWaalsContact O-N 3.14Å; M262-S265 PolarHBondContact O-N 3.39Å; M262-S265 PolarHBondContact O-OG 3.06Å; D263-S265 PolarHBondContact O-N 3.43Å; S265-M267 PolarHBondContact O-N 3.13Å; S265-M267 VanDerWaalsContact OG-CB 3.25Å; S265-M267 WeakPolarHBondContact OG-CB 3.17Å; S265-M267 PolarHBondContact OG-N 2.74Å; S265-K281 VanDerWaalsContact CB-CE 3.47Å; S265-K281 WeakPolarHBondContact O-CE 3.3Å; S265-K281 PolarHBondContact O-NZ 2.89Å; S265-K281 WeakPolarHBondContact OG-CE 3.43Å; S265-K281 WeakPolarHBondContact OG-CG 3.2Å; S265-M285 VanDerWaalsContact CA-SD 3.59Å; S265-M285 WeakPolarHBondContact CB-SD 3.36Å
266	E	94.1	Very high	97.2	Very high	151 Å²	151	27 Å²	27	71%	0.706	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	32.3	-171.3	-56.1	-176.1	173.2	0	0	111.8	D263 R264 P268	D263-E266 WeakPolarHBondContact O-CA 3.29Å; D263-E266 PolarHBondContact O-N 2.61Å; R264-E266 PolarHBondContact O-N 2.53Å; E266-P268 VanDerWaalsContact O-CD 3.29Å; E266-P268 WeakPolarHBondContact O-CD 3.25Å
267	M	95.3	Very high	97.2	Very high	5 Å²	5	30 Å²	30	3%	0.025	15%	0.149	C	C	.	.			trans	-68.8	120.4	179.1	-177.2	171.6	-175.2	0	0	109.5	S37 M262 S265 I269 N271 R272 K277 V278 K281	S37-M267 WeakPolarHBondContact CA-O 3.4Å; S37-M267 WeakPolarHBondContact CB-O 3.43Å; M262-M267 HydrophobicContact CG-SD 4.43Å; M262-M267 WeakPolarHBondContact O-CB 3.45Å; M262-M267 PolarHBondContact O-N 2.97Å; M262-M267 HydrophobicContact SD-SD 4.38Å; S265-M267 PolarHBondContact O-N 3.13Å; S265-M267 VanDerWaalsContact OG-CB 3.25Å; S265-M267 WeakPolarHBondContact OG-CB 3.17Å; S265-M267 PolarHBondContact OG-N 2.74Å; M267-I269 PolarHBondContact O-N 3.36Å; M267-N271 HydrophobicContact CE-CB 3.71Å; M267-N271 WeakPolarHBondContact CE-O 3.44Å; M267-N271 HydrophobicContact CG-CB 4.46Å; M267-R272 HydrophobicContact CE-CG 4.26Å; M267-R272 HydrophobicContact CG-CG 4.25Å; M267-R272 PolarHBondContact O-NE 3.38Å; M267-R272 PolarHBondContact O-NH2 3.27Å; M267-R272 VanDerWaalsContact O-NH2 3.15Å; M267-R272 HydrophobicContact SD-CG 4.11Å; M267-K277 HydrophobicContact CE-CB 3.87Å; M267-V278 HydrophobicContact CE-CB 4.42Å; M267-V278 HydrophobicContact CE-CG2 3.71Å; M267-V278 HydrophobicContact SD-CG2 4.39Å; M267-K281 HydrophobicContact CB-CG 4.27Å; M267-K281 HydrophobicContact CG-CG 4.5Å; M267-K281 HydrophobicContact SD-CB 4.17Å; M267-K281 HydrophobicContact SD-CG 4.28Å
268	P	95.8	Very high	97.2	Very high	34 Å²	34	30 Å²	30	22%	0.221	15%	0.149	C	C	.	.			trans	-55	131.8	176.9	-25.7	34.7	0	0	0	110.6	T35 D36 E266 T270 N271	T35-P268 HydrophobicContact CG2-CB 3.91Å; T35-P268 HydrophobicContact CG2-CG 3.95Å; D36-P268 WeakPolarHBondContact O-CA 3.4Å; E266-P268 VanDerWaalsContact O-CD 3.29Å; E266-P268 WeakPolarHBondContact O-CD 3.25Å; P268-T270 PolarHBondContact O-N 2.83Å; P268-T270 VanDerWaalsContact O-N 3.13Å; P268-N271 WeakPolarHBondContact O-CB 3.48Å; P268-N271 PolarHBondContact O-N 3.49Å
269	I	95.8	Very high	97.2	Very high	1 Å²	1	30 Å²	30	1%	0.005	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-54.3	-38.9	-177.6	-69.9	175	0	0	0	110.9	D36 I126 G127 T136 I173 M267 N271 R272	D36-I269 HydrophobicContact CB-CD1 4.3Å; D36-I269 PolarHBondContact O-N 3.14Å; D36-I269 WeakPolarHBondContact OD1-CD1 3.07Å; I126-I269 HydrophobicContact CD1-CG2 3.91Å; I126-I269 HydrophobicContact CG1-CD1 4.42Å; I126-I269 HydrophobicContact CG1-CG2 3.87Å; I126-I269 HydrophobicContact CG2-CG2 4.05Å; G127-I269 VanDerWaalsContact CA-CD1 3.41Å; T136-I269 HydrophobicContact CG2-CG2 3.88Å; I173-I269 HydrophobicContact CD1-CG2 4.2Å; I173-I269 HydrophobicContact CG2-CG2 3.81Å; I173-I269 WeakPolarHBondContact CG2-O 3.46Å; M267-I269 PolarHBondContact O-N 3.36Å; I269-N271 PolarHBondContact O-N 3.37Å; I269-N271 VanDerWaalsContact O-N 3.09Å; I269-R272 WeakPolarHBondContact O-CB 3.17Å; I269-R272 PolarHBondContact O-N 2.67Å
270	T	96.1	Very high	97.1	Very high	69 Å²	69	30.7 Å²	30.7	42%	0.423	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-59.4	-19.7	177	56.5	0	0	0	0	115.1	K134 T136 P268	K134-T270 HydrophobicContact CB-CG2 3.85Å; T136-T270 HydrophobicContact CG2-CG2 4.23Å; P268-T270 PolarHBondContact O-N 2.83Å; P268-T270 VanDerWaalsContact O-N 3.13Å
271	N	97.4	Very high	97.1	Very high	46 Å²	46	32 Å²	32	25%	0.246	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-90.8	-10.7	177.2	-74.4	-30.1	0	0	0	113.3	M267 P268 I269 G273 D274 K277	M267-N271 HydrophobicContact CE-CB 3.71Å; M267-N271 WeakPolarHBondContact CE-O 3.44Å; M267-N271 HydrophobicContact CG-CB 4.46Å; P268-N271 WeakPolarHBondContact O-CB 3.48Å; P268-N271 PolarHBondContact O-N 3.49Å; I269-N271 PolarHBondContact O-N 3.37Å; I269-N271 VanDerWaalsContact O-N 3.09Å; N271-G273 PolarHBondContact O-N 2.95Å; N271-D274 WeakPolarHBondContact O-CB 3.41Å; N271-D274 PolarHBondContact O-N 3.31Å; N271-D274 VanDerWaalsContact O-N 3.14Å; N271-K277 HydrophobicContact CB-CD 3.8Å; N271-K277 PolarHBondContact OD1-NZ 2.96Å
272	R	98.3	Very high	97	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-8.7	-171.4	-56.9	-178.1	-172	-162.5	1.3	114.2	S37 I173 F204 M262 D263 M267 I269 D274	S37-R272 PolarHBondContact O-NH2 2.94Å; I173-R272 HydrophobicContact CG2-CB 4.2Å; F204-R272 WeakPolarHBondContact CZ-O 3.17Å; M262-R272 HydrophobicContact SD-CB 4.48Å; M262-R272 HydrophobicContact SD-CG 4.14Å; D263-R272 IonicContact OD1-CZ 2.61Å; D263-R272 IonicContact OD1-NH1 3.91Å; D263-R272 PolarHBondContact OD1-NH1 3.24Å; D263-R272 IonicContact OD1-NH2 3.03Å; D263-R272 PolarHBondContact OD1-NH2 3.05Å; M267-R272 HydrophobicContact CE-CG 4.26Å; M267-R272 HydrophobicContact CG-CG 4.25Å; M267-R272 PolarHBondContact O-NE 3.38Å; M267-R272 PolarHBondContact O-NH2 3.27Å; M267-R272 VanDerWaalsContact O-NH2 3.15Å; M267-R272 HydrophobicContact SD-CG 4.11Å; I269-R272 WeakPolarHBondContact O-CB 3.17Å; I269-R272 PolarHBondContact O-N 2.67Å; R272-D274 VanDerWaalsContact C-N 3.32Å
273	G	98.1	Very high	96.9	Very high	12 Å²	12	31.9 Å²	31.9	12%	0.124	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-8	169.7	0	0	0	0	0	114.1	R99 N271	R99-G273 PolarHBondContact NH1-O 2.78Å; N271-G273 PolarHBondContact O-N 2.95Å
274	D	98.8	Very high	96.8	Very high	48 Å²	48	31.3 Å²	31.3	26%	0.257	16%	0.156	S	C	.	.			trans	-102.1	109.7	-176.8	-178.2	-17.9	0	0	0	109.8	N271 R272 I276 K277 V278	N271-D274 WeakPolarHBondContact O-CB 3.41Å; N271-D274 PolarHBondContact O-N 3.31Å; N271-D274 VanDerWaalsContact O-N 3.14Å; R272-D274 VanDerWaalsContact C-N 3.32Å; D274-I276 PolarHBondContact O-N 3.38Å; D274-I276 WeakPolarHBondContact OD1-CB 3.1Å; D274-I276 PolarHBondContact OD1-N 2.95Å; D274-K277 HydrophobicContact CB-CB 4.19Å; D274-K277 HydrophobicContact CB-CD 4.05Å; D274-K277 HydrophobicContact CB-CG 4.2Å; D274-K277 PolarHBondContact O-N 3.33Å; D274-K277 PolarHBondContact OD1-N 2.9Å; D274-K277 WeakPolarHBondContact OD2-CD 3.34Å; D274-K277 VanDerWaalsContact OD2-CE 3.24Å; D274-K277 WeakPolarHBondContact OD2-CE 3.43Å; D274-K277 WeakPolarHBondContact OD2-CG 3.26Å; D274-K277 IonicContact OD2-NZ 2.74Å; D274-V278 WeakPolarHBondContact O-CG2 3.43Å; D274-V278 PolarHBondContact O-N 2.94Å
275	P	98.8	Very high	96.9	Very high	5 Å²	5	26.6 Å²	26.6	3%	0.032	14%	0.138	C	C	.	.	H	α-helix	trans	-62.9	-30.7	-175.7	27.4	-33.8	0	0	0	112.1	F204 A212 V213 V278 T279 I350 M400	F204-P275 HydrophobicContact CE1-CB 3.97Å; F204-P275 HydrophobicContact CE1-CG 4.35Å; F204-P275 HydrophobicContact CZ-CB 4.19Å; A212-P275 HydrophobicContact CB-CG 3.87Å; V213-P275 HydrophobicContact CG1-CB 3.78Å; V213-P275 HydrophobicContact CG1-CG 4Å; P275-V278 PolarHBondContact O-N 3.42Å; P275-T279 VanDerWaalsContact O-CG2 3.28Å; P275-T279 WeakPolarHBondContact O-CG2 3.41Å; P275-T279 PolarHBondContact O-N 3.37Å; P275-T279 PolarHBondContact O-OG1 3.28Å; P275-I350 HydrophobicContact CB-CD1 4.26Å; P275-M400 HydrophobicContact CB-CB 4.33Å; P275-M400 HydrophobicContact CB-CE 4.19Å; P275-M400 HydrophobicContact CB-SD 4.09Å; P275-M400 HydrophobicContact CG-CB 4.11Å; P275-M400 HydrophobicContact CG-SD 4.32Å
276	I	98.8	Very high	97	Very high	13 Å²	13	26.3 Å²	26.3	7%	0.067	14%	0.136	C	C	.	.	H	α-helix	trans	-63.9	-47.3	178.8	-61	166	0	0	0	109.8	D274 T279 R280 M400 D404 P431 F446	D274-I276 PolarHBondContact O-N 3.38Å; D274-I276 WeakPolarHBondContact OD1-CB 3.1Å; D274-I276 PolarHBondContact OD1-N 2.95Å; I276-T279 PolarHBondContact O-OG1 2.73Å; I276-R280 WeakPolarHBondContact O-CB 3.32Å; I276-R280 PolarHBondContact O-N 2.97Å; I276-M400 HydrophobicContact CB-SD 4.49Å; I276-M400 HydrophobicContact CG1-SD 3.77Å; I276-D404 VanDerWaalsContact CD1-OD1 3.25Å; I276-D404 WeakPolarHBondContact CD1-OD1 3.48Å; I276-P431 HydrophobicContact CG2-CG 3.82Å; I276-F446 HydrophobicContact CG2-CE2 3.79Å
277	K	98.4	Very high	97	Very high	91 Å²	91	19.1 Å²	19.1	40%	0.396	10%	0.102	S	C	.	.	H	α-helix	trans	-68.9	-39.3	178.8	-67.3	178	-173.1	163	0	111.8	M267 N271 D274 K281	M267-K277 HydrophobicContact CE-CB 3.87Å; N271-K277 HydrophobicContact CB-CD 3.8Å; N271-K277 PolarHBondContact OD1-NZ 2.96Å; D274-K277 HydrophobicContact CB-CB 4.19Å; D274-K277 HydrophobicContact CB-CD 4.05Å; D274-K277 HydrophobicContact CB-CG 4.2Å; D274-K277 PolarHBondContact O-N 3.33Å; D274-K277 PolarHBondContact OD1-N 2.9Å; D274-K277 WeakPolarHBondContact OD2-CD 3.34Å; D274-K277 VanDerWaalsContact OD2-CE 3.24Å; D274-K277 WeakPolarHBondContact OD2-CE 3.43Å; D274-K277 WeakPolarHBondContact OD2-CG 3.26Å; D274-K277 IonicContact OD2-NZ 2.74Å; K277-K281 VanDerWaalsContact O-CB 3.27Å; K277-K281 WeakPolarHBondContact O-CB 3.34Å; K277-K281 PolarHBondContact O-N 3.43Å
278	V	98.7	Very high	96.9	Very high	1 Å²	1	20 Å²	20	1%	0.006	11%	0.109	C	C	.	.	H	α-helix	trans	-61.5	-50.9	177.5	170.2	0	0	0	0	110.1	F204 M262 M267 D274 P275 K281 A282 F344 L348 I350	F204-V278 HydrophobicContact CE2-CG2 4.38Å; F204-V278 HydrophobicContact CZ-CG2 4.17Å; M262-V278 HydrophobicContact SD-CG1 4.29Å; M262-V278 HydrophobicContact SD-CG2 4.39Å; M267-V278 HydrophobicContact CE-CB 4.42Å; M267-V278 HydrophobicContact CE-CG2 3.71Å; M267-V278 HydrophobicContact SD-CG2 4.39Å; D274-V278 WeakPolarHBondContact O-CG2 3.43Å; D274-V278 PolarHBondContact O-N 2.94Å; P275-V278 PolarHBondContact O-N 3.42Å; V278-K281 PolarHBondContact O-N 3.06Å; V278-A282 WeakPolarHBondContact O-CB 3.47Å; V278-A282 PolarHBondContact O-N 3.28Å; V278-F344 HydrophobicContact CG1-CE1 4.02Å; V278-F344 HydrophobicContact CG1-CZ 4.23Å; V278-L348 HydrophobicContact CG1-CD1 4.14Å; V278-I350 HydrophobicContact CG1-CD1 4.13Å
279	T	98.1	Very high	96.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-67.3	-40.6	-178.5	62.1	0	0	0	0	112.3	P275 I276 K281 A282 S283 L345 I350 M400	P275-T279 VanDerWaalsContact O-CG2 3.28Å; P275-T279 WeakPolarHBondContact O-CG2 3.41Å; P275-T279 PolarHBondContact O-N 3.37Å; P275-T279 PolarHBondContact O-OG1 3.28Å; I276-T279 PolarHBondContact O-OG1 2.73Å; T279-K281 PolarHBondContact O-N 2.84Å; T279-A282 PolarHBondContact O-N 2.9Å; T279-S283 PolarHBondContact O-N 3.21Å; T279-S283 PolarHBondContact O-OG 3.03Å; T279-L345 HydrophobicContact CG2-CD2 3.48Å; T279-L345 VanDerWaalsContact CG2-CD2 3.48Å; T279-I350 HydrophobicContact CG2-CD1 4.07Å; T279-M400 HydrophobicContact CG2-CE 3.65Å
280	R	97.3	Very high	95.9	Very high	16 Å²	16	29.1 Å²	29.1	6%	0.06	14%	0.144	C	C	.	.	H	α-helix	trans	-60.2	-44.1	176	-178.6	67.7	171.9	173.7	-3.4	112.9	I276 S283 S423 D424 G430 D447	I276-R280 WeakPolarHBondContact O-CB 3.32Å; I276-R280 PolarHBondContact O-N 2.97Å; R280-S283 PolarHBondContact O-OG 2.73Å; R280-S283 VanDerWaalsContact O-OG 3.08Å; R280-S423 PolarHBondContact NH2-OG 3.21Å; R280-D424 IonicContact NH2-OD2 2.91Å; R280-D424 PolarHBondContact NH2-OD2 3.39Å; R280-G430 WeakPolarHBondContact CD-O 3.35Å; R280-G430 PolarHBondContact NH1-O 2.98Å; R280-D447 IonicContact CZ-OD2 3.99Å; R280-D447 IonicContact NH1-OD2 3.85Å; R280-D447 PolarHBondContact NH1-OD2 3.18Å; R280-D447 IonicContact NH2-OD2 3.69Å
281	K	96.4	Very high	95.4	Very high	53 Å²	53	28.5 Å²	28.5	23%	0.23	14%	0.139	C	C	.	.	H	α-helix	trans	-76.5	-37.3	-179	-170.2	62.6	168.9	162.5	0	111.1	S265 M267 K277 V278 T279 A284 M285	S265-K281 VanDerWaalsContact CB-CE 3.47Å; S265-K281 WeakPolarHBondContact O-CE 3.3Å; S265-K281 PolarHBondContact O-NZ 2.89Å; S265-K281 WeakPolarHBondContact OG-CE 3.43Å; S265-K281 WeakPolarHBondContact OG-CG 3.2Å; M267-K281 HydrophobicContact CB-CG 4.27Å; M267-K281 HydrophobicContact CG-CG 4.5Å; M267-K281 HydrophobicContact SD-CB 4.17Å; M267-K281 HydrophobicContact SD-CG 4.28Å; K277-K281 VanDerWaalsContact O-CB 3.27Å; K277-K281 WeakPolarHBondContact O-CB 3.34Å; K277-K281 PolarHBondContact O-N 3.43Å; V278-K281 PolarHBondContact O-N 3.06Å; T279-K281 PolarHBondContact O-N 2.84Å; K281-A284 PolarHBondContact O-N 3.45Å; K281-M285 WeakPolarHBondContact O-CG 3.23Å; K281-M285 PolarHBondContact O-N 2.87Å
282	A	96.6	Very high	95.1	Very high	4 Å²	4	31 Å²	31	3%	0.033	15%	0.152	C	C	.	.	H	α-helix	trans	-65.7	-42.9	176.7	0	0	0	0	0	111.9	V278 T279 A284 M285 L286 F341 F344	V278-A282 WeakPolarHBondContact O-CB 3.47Å; V278-A282 PolarHBondContact O-N 3.28Å; T279-A282 PolarHBondContact O-N 2.9Å; A282-A284 PolarHBondContact O-N 2.96Å; A282-M285 CarbonylContact O-C 3.52Å; A282-M285 WeakPolarHBondContact O-CA 3.46Å; A282-M285 PolarHBondContact O-N 3.36Å; A282-L286 HydrophobicContact CB-CD2 4.17Å; A282-L286 WeakPolarHBondContact O-CD2 3.33Å; A282-L286 PolarHBondContact O-N 3.38Å; A282-F341 HydrophobicContact CB-CD2 4.38Å; A282-F341 HydrophobicContact CB-CE2 3.57Å; A282-F341 HydrophobicContact CB-CZ 4.34Å; A282-F344 HydrophobicContact CB-CD1 3.94Å; A282-F344 HydrophobicContact CB-CE1 3.32Å; A282-F344 HydrophobicContact CB-CZ 3.66Å
283	S	96.2	Very high	94.9	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-57.6	-35.7	179.4	64.2	0	0	0	0	113	T279 R280 N287	T279-S283 PolarHBondContact O-N 3.21Å; T279-S283 PolarHBondContact O-OG 3.03Å; R280-S283 PolarHBondContact O-OG 2.73Å; R280-S283 VanDerWaalsContact O-OG 3.08Å; S283-N287 PolarHBondContact O-ND2 3.08Å
284	A	95	Very high	94.9	Very high	2 Å²	2	30.4 Å²	30.4	2%	0.017	15%	0.146	C	C	.	.	H	α-helix	trans	-64.9	-47.1	169.7	0	0	0	0	0	112.1	K281 A282 L286 N287 M426 R428	K281-A284 PolarHBondContact O-N 3.45Å; A282-A284 PolarHBondContact O-N 2.96Å; A284-L286 VanDerWaalsContact C-N 3.27Å; A284-L286 PolarHBondContact O-N 3.44Å; A284-N287 PolarHBondContact O-N 3.4Å; A284-N287 PolarHBondContact O-ND2 3.43Å; A284-N287 VanDerWaalsContact O-ND2 3.14Å; A284-N287 VanDerWaalsContact O-O 3.05Å; A284-M426 HydrophobicContact CB-CE 4.37Å; A284-R428 HydrophobicContact CB-CB 3.96Å
285	M	97	Very high	94.9	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-71	-16.9	-177.6	-74	-59.6	-57.4	0	0	115.1	I261 R264 S265 K281 A282 N287 D291 G293 V294	I261-M285 HydrophobicContact CG2-CB 3.73Å; I261-M285 HydrophobicContact CG2-CG 4.33Å; R264-M285 HydrophobicContact CB-CE 3.86Å; S265-M285 VanDerWaalsContact CA-SD 3.59Å; S265-M285 WeakPolarHBondContact CB-SD 3.36Å; K281-M285 WeakPolarHBondContact O-CG 3.23Å; K281-M285 PolarHBondContact O-N 2.87Å; A282-M285 CarbonylContact O-C 3.52Å; A282-M285 WeakPolarHBondContact O-CA 3.46Å; A282-M285 PolarHBondContact O-N 3.36Å; M285-N287 PolarHBondContact O-N 2.7Å; M285-D291 HydrophobicContact SD-CB 3.62Å; M285-G293 CarbonylContact O-C 3.54Å; M285-G293 WeakPolarHBondContact O-CA 3.43Å; M285-V294 PolarHBondContact O-N 2.8Å
286	L	96.8	Very high	94.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-71.1	-26.4	177.5	-92.1	-55.6	0	0	0	111.3	A282 A284 V294 L295 Y337 V340 F341 A417	A282-L286 HydrophobicContact CB-CD2 4.17Å; A282-L286 WeakPolarHBondContact O-CD2 3.33Å; A282-L286 PolarHBondContact O-N 3.38Å; A284-L286 VanDerWaalsContact C-N 3.27Å; A284-L286 PolarHBondContact O-N 3.44Å; L286-V294 HydrophobicContact CD1-CB 4.23Å; L286-V294 HydrophobicContact CD1-CG2 4.13Å; L286-L295 WeakPolarHBondContact O-CB 3.12Å; L286-L295 PolarHBondContact O-N 2.79Å; L286-Y337 WeakPolarHBondContact O-CE1 3.46Å; L286-V340 HydrophobicContact CD1-CB 4.34Å; L286-V340 HydrophobicContact CD1-CG1 3.73Å; L286-F341 HydrophobicContact CD1-CB 4.46Å; L286-F341 HydrophobicContact CD2-CB 4.35Å; L286-F341 HydrophobicContact CD2-CD2 3.44Å; L286-F341 VanDerWaalsContact CD2-CD2 3.44Å; L286-F341 HydrophobicContact CD2-CE2 4.08Å; L286-F341 HydrophobicContact CD2-CG 4.12Å; L286-F341 HydrophobicContact CG-CB 3.91Å; L286-F341 HydrophobicContact CG-CD2 3.97Å; L286-F341 HydrophobicContact CG-CG 4.15Å; L286-A417 HydrophobicContact CB-CB 3.75Å; L286-A417 HydrophobicContact CG-CB 4.33Å
287	N	93.8	Very high	94.7	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	16%	0.155	C	C	.	.	B	Isolated β-bridge	trans	-105.6	150.3	174.9	78.2	84.4	0	0	0	112.1	S283 A284 M285 R289 G293 Y337 P419 Y427	S283-N287 PolarHBondContact O-ND2 3.08Å; A284-N287 PolarHBondContact O-N 3.4Å; A284-N287 PolarHBondContact O-ND2 3.43Å; A284-N287 VanDerWaalsContact O-ND2 3.14Å; A284-N287 VanDerWaalsContact O-O 3.05Å; M285-N287 PolarHBondContact O-N 2.7Å; N287-R289 PolarHBondContact OD1-N 2.88Å; N287-G293 WeakPolarHBondContact O-CA 3.24Å; N287-Y337 HydrophobicContact CB-CE1 3.75Å; N287-P419 HydrophobicContact CB-CB 4.29Å; N287-P419 HydrophobicContact CB-CG 4.05Å; N287-Y427 PolarHBondContact ND2-O 2.91Å
288	S	92.8	Very high	94.4	Very high	24 Å²	24	27.5 Å²	27.5	17%	0.168	14%	0.143	C	C	.	.	S	Bend	trans	-93.2	7	-172.6	76.1	0	0	0	0	115.2	D290 L295	S288-D290 PolarHBondContact O-N 2.84Å; S288-L295 WeakPolarHBondContact CB-O 3.2Å; S288-L295 PolarHBondContact N-O 2.9Å; S288-L295 PolarHBondContact OG-O 3.09Å
289	R	84.8	Confident	94	Very high	152 Å²	152	30.2 Å²	30.2	57%	0.574	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-36.2	-168.9	-77.7	-149.3	175.4	-172.4	4.3	113.7	N287 P419 Y427	N287-R289 PolarHBondContact OD1-N 2.88Å; R289-P419 HydrophobicContact CG-CB 4.24Å; R289-P419 HydrophobicContact CG-CG 4.48Å; R289-Y427 HydrophobicContact CB-CD2 3.62Å; R289-Y427 HydrophobicContact CB-CE2 4.08Å; R289-Y427 HydrophobicContact CB-CG 4.31Å; R289-Y427 HydrophobicContact CG-CD2 4.25Å; R289-Y427 HydrophobicContact CG-CE2 4.46Å; R289-Y427 PolarHBondContact NH1-OH 3.11Å; R289-Y427 VanDerWaalsContact NH1-OH 3.12Å
290	D	85.8	Confident	93.6	Very high	73 Å²	73	33.4 Å²	33.4	39%	0.39	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-44.4	-174	-56.5	-38.3	0	0	0	112.8	S288 M426 Y427	S288-D290 PolarHBondContact O-N 2.84Å; D290-M426 WeakPolarHBondContact OD2-CA 3.45Å; D290-Y427 WeakPolarHBondContact OD2-CD2 3.43Å; D290-Y427 PolarHBondContact OD2-N 2.94Å
291	D	85.4	Confident	93	Very high	56 Å²	56	33.7 Å²	33.7	30%	0.299	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.2	19.7	-164.9	-65.2	-54.4	0	0	0	114.5	M285 G293 M426	M285-D291 HydrophobicContact SD-CB 3.62Å; D291-G293 PolarHBondContact O-N 2.84Å; D291-M426 WeakPolarHBondContact OD2-CE 3.34Å
292	D	90.7	Very high	92.6	Very high	99 Å²	99	35.5 Å²	35.5	53%	0.529	20%	0.196	S	C	.	.			trans	49.5	41.3	-171.4	-70.4	-38.4	0	0	0	112.4	Y322 P328	D292-Y322 PolarHBondContact O-OH 2.78Å; D292-Y322 VanDerWaalsContact O-OH 3.09Å; D292-P328 HydrophobicContact CB-CG 4.32Å
293	G	94.6	Very high	92.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.197	C	C	.	.			trans	-64.1	-174.3	179.1	0	0	0	0	0	115.2	M285 N287 D291 L295 Y322 P328	M285-G293 CarbonylContact O-C 3.54Å; M285-G293 WeakPolarHBondContact O-CA 3.43Å; N287-G293 WeakPolarHBondContact O-CA 3.24Å; D291-G293 PolarHBondContact O-N 2.84Å; G293-L295 PolarHBondContact O-N 2.91Å; G293-Y322 WeakPolarHBondContact O-CE2 3.4Å; G293-P328 WeakPolarHBondContact O-CA 3.48Å; G293-P328 WeakPolarHBondContact O-CB 3.2Å; G293-P328 WeakPolarHBondContact O-CG 3.23Å
294	V	98.3	Very high	92.1	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	-63.5	-43.5	-164.2	-174.8	0	0	0	0	113.1	I261 M285 L286 I318 L319 Y322 V329 V340	I261-V294 HydrophobicContact CD1-CG2 3.58Å; I261-V294 HydrophobicContact CG1-CG2 3.75Å; M285-V294 PolarHBondContact O-N 2.8Å; L286-V294 HydrophobicContact CD1-CB 4.23Å; L286-V294 HydrophobicContact CD1-CG2 4.13Å; V294-I318 HydrophobicContact CG1-CG2 3.96Å; V294-L319 HydrophobicContact CG1-CD2 4.48Å; V294-Y322 HydrophobicContact CB-CD2 4.46Å; V294-Y322 HydrophobicContact CB-CG 4.38Å; V294-Y322 HydrophobicContact CG1-CD1 4.48Å; V294-Y322 HydrophobicContact CG1-CD2 4.47Å; V294-Y322 HydrophobicContact CG1-CG 4.09Å; V294-Y322 HydrophobicContact CG2-CD1 3.99Å; V294-Y322 HydrophobicContact CG2-CE1 4.05Å; V294-Y322 HydrophobicContact CG2-CG 4.28Å; V294-V329 PolarHBondContact O-N 3.5Å; V294-V340 HydrophobicContact CG1-CG1 4.47Å
295	L	98.4	Very high	91.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	135.9	-167	-73.1	166.1	0	0	0	113.5	L286 S288 G293 I318 V329 A332 V336 Y337 V340	L286-L295 WeakPolarHBondContact O-CB 3.12Å; L286-L295 PolarHBondContact O-N 2.79Å; S288-L295 WeakPolarHBondContact CB-O 3.2Å; S288-L295 PolarHBondContact N-O 2.9Å; S288-L295 PolarHBondContact OG-O 3.09Å; G293-L295 PolarHBondContact O-N 2.91Å; L295-I318 HydrophobicContact CD2-CD1 4.39Å; L295-I318 HydrophobicContact CD2-CG2 3.5Å; L295-I318 VanDerWaalsContact CD2-CG2 3.5Å; L295-I318 HydrophobicContact CG-CG2 4.1Å; L295-V329 WeakPolarHBondContact CA-O 3.47Å; L295-V329 HydrophobicContact CD2-CB 4.23Å; L295-V329 HydrophobicContact CD2-CG1 4.49Å; L295-A332 HydrophobicContact CB-CB 3.76Å; L295-A332 HydrophobicContact CD1-CB 3.78Å; L295-A332 HydrophobicContact CD2-CB 3.93Å; L295-A332 HydrophobicContact CG-CB 4.03Å; L295-V336 HydrophobicContact CD1-CG1 4.06Å; L295-V336 HydrophobicContact CD2-CG1 4.47Å; L295-Y337 HydrophobicContact CB-CD1 4.05Å; L295-Y337 HydrophobicContact CB-CE1 3.44Å; L295-Y337 VanDerWaalsContact CB-CE1 3.44Å; L295-Y337 HydrophobicContact CD1-CD1 3.76Å; L295-Y337 HydrophobicContact CD1-CE1 4.03Å; L295-Y337 HydrophobicContact CD1-CG 4.47Å; L295-Y337 HydrophobicContact CG-CE1 4.39Å; L295-Y337 PolarHBondContact O-OH 2.96Å; L295-Y337 VanDerWaalsContact O-OH 3.11Å; L295-V340 HydrophobicContact CD1-CB 4.15Å; L295-V340 HydrophobicContact CD1-CG1 4.44Å; L295-V340 HydrophobicContact CD1-CG2 4.1Å
296	V	97.7	Very high	91.7	Very high	36 Å²	36	51.9 Å²	51.9	22%	0.218	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	122.5	172.1	-173.7	0	0	0	0	110.1	P328 V329 Y331 A332	V296-P328 HydrophobicContact CG2-CB 3.48Å; V296-P328 VanDerWaalsContact CG2-CB 3.48Å; V296-V329 PolarHBondContact N-O 3.32Å; V296-Y331 HydrophobicContact CB-CD1 4.05Å; V296-Y331 HydrophobicContact CB-CE1 4.38Å; V296-Y331 HydrophobicContact CG1-CD1 3.94Å; V296-Y331 HydrophobicContact CG1-CE1 3.96Å; V296-Y331 CarbonylContact O-C 3.45Å; V296-Y331 VanDerWaalsContact O-CA 3.23Å; V296-Y331 WeakPolarHBondContact O-CA 3.07Å; V296-A332 PolarHBondContact O-N 3.2Å
297	G	95.6	Very high	91.6	Very high	32 Å²	32	53.2 Å²	53.2	33%	0.33	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	134.2	179.2	0	0	0	0	0	112	A332 Y337	G297-A332 WeakPolarHBondContact CA-O 3.22Å; G297-Y337 WeakPolarHBondContact CA-OH 3.34Å; G297-Y337 PolarHBondContact N-OH 2.85Å
298	N	93.8	Very high	91.6	Very high	27 Å²	27	53.5 Å²	53.5	14%	0.144	29%	0.291	C	S	.	.			trans	-150	129.4	175.7	-172.9	2.7	0	0	0	111.7	S300 D302 Y303 Y331 A332 Q333	N298-S300 WeakPolarHBondContact OD1-CB 3.15Å; N298-S300 PolarHBondContact OD1-N 3.47Å; N298-S300 PolarHBondContact OD1-OG 3.17Å; N298-D302 PolarHBondContact ND2-O 2.89Å; N298-Y303 HydrophobicContact CB-CD1 4.34Å; N298-Y303 HydrophobicContact CB-CE1 4.01Å; N298-Y331 HydrophobicContact CB-CD1 3.39Å; N298-Y331 HydrophobicContact CB-CD2 4.44Å; N298-Y331 HydrophobicContact CB-CE1 3.97Å; N298-Y331 HydrophobicContact CB-CG 3.66Å; N298-A332 PolarHBondContact N-O 3.41Å; N298-Q333 PolarHBondContact O-NE2 2.93Å
299	W	90.3	Very high	91.7	Very high	59 Å²	59	52.4 Å²	52.4	22%	0.223	28%	0.283	C	S	.	.			trans	-124.6	11.1	-180	-77.4	-105.7	0	0	0	112.3	G301 Q333 Y337 W390 T418 Y575 Y576 T577	W299-G301 PolarHBondContact O-N 3.45Å; W299-Q333 HydrophobicContact CD2-CG 3.99Å; W299-Q333 HydrophobicContact CG-CG 4.41Å; W299-Q333 HydrophobicContact CH2-CG 4.42Å; W299-Q333 HydrophobicContact CZ2-CB 4.02Å; W299-Q333 HydrophobicContact CZ2-CG 3.91Å; W299-Y337 HydrophobicContact CH2-CE2 4.15Å; W299-W390 HydrophobicContact CZ2-CH2 4.08Å; W299-W390 AromaticContact NE1-CH2 3.97Å; W299-T418 HydrophobicContact CH2-CG2 4.24Å; W299-T418 HydrophobicContact CZ2-CG2 4.39Å; W299-Y575 WeakPolarHBondContact O-CE1 3.41Å; W299-Y576 AromaticContact CD1-CE1 3.62Å; W299-Y576 WeakPolarHBondContact CZ2-OH 3.06Å; W299-Y576 AromaticContact NE1-CE1 3.23Å; W299-Y576 AromaticContact NE1-CZ 3.35Å; W299-Y576 PolarHBondContact NE1-OH 3.03Å; W299-T577 VanDerWaalsContact CD1-CG2 3.41Å; W299-T577 VanDerWaalsContact NE1-CG2 3.27Å
300	S	88.1	Confident	92.1	Very high	66 Å²	66	45.2 Å²	45.2	46%	0.462	26%	0.256	S	S	.	.	S	Bend	trans	-70.7	-21.5	-176.6	70.3	0	0	0	0	113	N298 D302 Y575	N298-S300 WeakPolarHBondContact OD1-CB 3.15Å; N298-S300 PolarHBondContact OD1-N 3.47Å; N298-S300 PolarHBondContact OD1-OG 3.17Å; S300-D302 PolarHBondContact OG-N 2.91Å; S300-D302 PolarHBondContact OG-O 2.86Å; S300-D302 VanDerWaalsContact OG-O 3.11Å; S300-Y575 PolarHBondContact O-OH 3.31Å; S300-Y575 VanDerWaalsContact O-OH 3.09Å
301	G	85.3	Confident	92.6	Very high	22 Å²	22	42 Å²	42	23%	0.227	24%	0.239	C	C	.	.	S	Bend	trans	83.7	-10.2	-167.5	0	0	0	0	0	114.1	W299 R731	W299-G301 PolarHBondContact O-N 3.45Å; G301-R731 PolarHBondContact O-NH2 3.28Å
302	D	88.8	Confident	93.1	Very high	92 Å²	92	39.5 Å²	39.5	49%	0.492	23%	0.226	S	C	.	.			trans	-100.9	117.4	171.8	-179.6	9	0	0	0	110.5	N298 S300 T304	N298-D302 PolarHBondContact ND2-O 2.89Å; S300-D302 PolarHBondContact OG-N 2.91Å; S300-D302 PolarHBondContact OG-O 2.86Å; S300-D302 VanDerWaalsContact OG-O 3.11Å; D302-T304 WeakPolarHBondContact OD1-CB 3.37Å; D302-T304 PolarHBondContact OD1-N 3.33Å; D302-T304 PolarHBondContact OD1-OG1 3.31Å
303	Y	92.1	Very high	93.3	Very high	12 Å²	12	35 Å²	35	5%	0.047	20%	0.202	C	C	.	.			trans	-119.8	23.2	-176.4	-54.4	-54	0	0	0	112.6	N298 Y305 G306 A308 P309 Y331 Q333 E616	N298-Y303 HydrophobicContact CB-CD1 4.34Å; N298-Y303 HydrophobicContact CB-CE1 4.01Å; Y303-Y305 PolarHBondContact O-N 3.19Å; Y303-G306 CarbonylContact O-C 3.43Å; Y303-G306 PolarHBondContact O-N 2.88Å; Y303-G306 VanDerWaalsContact O-O 3.04Å; Y303-A308 HydrophobicContact CD2-CB 3.4Å; Y303-A308 VanDerWaalsContact CD2-CB 3.4Å; Y303-A308 HydrophobicContact CE2-CB 4.03Å; Y303-A308 HydrophobicContact CG-CB 4.02Å; Y303-P309 HydrophobicContact CE1-CG 4.15Å; Y303-Y331 AromaticContact CD1-CD2 3.69Å; Y303-Y331 HydrophobicContact CD1-CD2 3.69Å; Y303-Y331 HydrophobicContact CD1-CE2 4.31Å; Y303-Y331 HydrophobicContact CD1-CG 4.19Å; Y303-Y331 HydrophobicContact CG-CD2 4.31Å; Y303-Q333 PolarHBondContact OH-NE2 3.06Å; Y303-Q333 VanDerWaalsContact OH-NE2 3.17Å; Y303-E616 PolarHBondContact OH-OE1 3.45Å; Y303-E616 VanDerWaalsContact OH-OE1 3.09Å; Y303-E616 PolarHBondContact OH-OE2 3.15Å
304	T	88.5	Confident	93.4	Very high	103 Å²	103	35 Å²	35	63%	0.632	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.7	-34.5	-171.4	-65.2	0	0	0	0	114.9	D302	D302-T304 WeakPolarHBondContact OD1-CB 3.37Å; D302-T304 PolarHBondContact OD1-N 3.33Å; D302-T304 PolarHBondContact OD1-OG1 3.31Å
305	Y	90.5	Very high	93.4	Very high	201 Å²	201	35 Å²	35	79%	0.788	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.7	15	-177.5	-55	-60.9	0	0	0	114.6	Y303	Y303-Y305 PolarHBondContact O-N 3.19Å
306	G	93.8	Very high	93.4	Very high	34 Å²	34	35.7 Å²	35.7	35%	0.351	21%	0.206	S	C	.	.	S	Bend	trans	-160.5	-158.9	-177.7	0	0	0	0	0	112.7	Y303	Y303-G306 CarbonylContact O-C 3.43Å; Y303-G306 PolarHBondContact O-N 2.88Å; Y303-G306 VanDerWaalsContact O-O 3.04Å
307	V	94.8	Very high	93.3	Very high	29 Å²	29	36 Å²	36	18%	0.176	21%	0.206	C	C	.	.			trans	-103	132.9	177.1	179.6	0	0	0	0	108.3	W312 C330 Y331 R682	V307-W312 HydrophobicContact CB-CD2 4.49Å; V307-W312 HydrophobicContact CB-CH2 3.81Å; V307-W312 HydrophobicContact CB-CZ2 3.4Å; V307-W312 HydrophobicContact CG1-CD2 3.9Å; V307-W312 HydrophobicContact CG1-CE3 4.24Å; V307-W312 HydrophobicContact CG1-CG 4.5Å; V307-W312 HydrophobicContact CG1-CH2 4.05Å; V307-W312 HydrophobicContact CG1-CZ2 3.74Å; V307-W312 HydrophobicContact CG1-CZ3 4.29Å; V307-W312 HydrophobicContact CG2-CH2 3.69Å; V307-W312 HydrophobicContact CG2-CZ2 3.82Å; V307-W312 HydrophobicContact CG2-CZ3 4.39Å; V307-C330 PolarHBondContact N-O 2.98Å; V307-Y331 PolarHBondContact O-N 2.75Å; V307-R682 VanDerWaalsContact CG2-NH2 3.31Å
308	A	94.1	Very high	93.5	Very high	7 Å²	7	34.5 Å²	34.5	6%	0.058	19%	0.191	C	C	.	.			trans	-59.8	134.7	174.5	0	0	0	0	0	110.6	Y303 T310 S311 D726	Y303-A308 HydrophobicContact CD2-CB 3.4Å; Y303-A308 VanDerWaalsContact CD2-CB 3.4Å; Y303-A308 HydrophobicContact CE2-CB 4.03Å; Y303-A308 HydrophobicContact CG-CB 4.02Å; A308-T310 PolarHBondContact O-N 2.9Å; A308-S311 VanDerWaalsContact O-CB 3.29Å; A308-S311 WeakPolarHBondContact O-CB 3.44Å; A308-S311 PolarHBondContact O-N 2.98Å; A308-D726 WeakPolarHBondContact CB-OD1 3.25Å
309	P	95.5	Very high	93.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-30.4	179	-28.6	36.1	0	0	0	114	Y303 S311 Q333 W335 V336	Y303-P309 HydrophobicContact CE1-CG 4.15Å; P309-S311 VanDerWaalsContact C-N 3.33Å; P309-Q333 HydrophobicContact CB-CB 4.13Å; P309-Q333 HydrophobicContact CB-CG 3.89Å; P309-Q333 HydrophobicContact CG-CG 3.78Å; P309-W335 HydrophobicContact CB-CH2 4.33Å; P309-W335 HydrophobicContact CB-CZ2 3.86Å; P309-V336 HydrophobicContact CB-CG2 4.18Å
310	T	93.1	Very high	94.1	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.006	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-18.4	177.8	44.4	0	0	0	0	114.7	R243 A308 W335 E616 D726 Q732	R243-T310 PolarHBondContact NH1-O 2.87Å; R243-T310 VanDerWaalsContact NH1-O 3.09Å; A308-T310 PolarHBondContact O-N 2.9Å; T310-W335 HydrophobicContact CG2-CZ2 4.2Å; T310-E616 HydrophobicContact CG2-CB 4.41Å; T310-D726 PolarHBondContact OG1-OD2 2.91Å; T310-Q732 HydrophobicContact CG2-CB 4.09Å
311	S	94.4	Very high	94.5	Very high	5 Å²	5	30.6 Å²	30.6	4%	0.035	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-25	-176.6	-171.2	0	0	0	0	112.8	A308 P309 T313 R682 T724	A308-S311 VanDerWaalsContact O-CB 3.29Å; A308-S311 WeakPolarHBondContact O-CB 3.44Å; A308-S311 PolarHBondContact O-N 2.98Å; P309-S311 VanDerWaalsContact C-N 3.33Å; S311-T313 PolarHBondContact O-N 2.9Å; S311-R682 WeakPolarHBondContact O-CD 3.39Å; S311-R682 WeakPolarHBondContact OG-CD 3.47Å; S311-T724 PolarHBondContact O-OG1 2.86Å
312	W	96.4	Very high	95.2	Very high	5 Å²	5	29.6 Å²	29.6	2%	0.019	16%	0.161	C	C	.	.			trans	-60.6	133.1	178.9	-62.1	116.6	0	0	0	112.4	W245 V307 D317 I318 V329 Y331	W245-W312 HydrophobicContact CH2-CB 3.48Å; W245-W312 VanDerWaalsContact CH2-CB 3.48Å; W245-W312 HydrophobicContact CH2-CG 4.35Å; W245-W312 HydrophobicContact CZ3-CB 3.74Å; V307-W312 HydrophobicContact CB-CD2 4.49Å; V307-W312 HydrophobicContact CB-CH2 3.81Å; V307-W312 HydrophobicContact CB-CZ2 3.4Å; V307-W312 HydrophobicContact CG1-CD2 3.9Å; V307-W312 HydrophobicContact CG1-CE3 4.24Å; V307-W312 HydrophobicContact CG1-CG 4.5Å; V307-W312 HydrophobicContact CG1-CH2 4.05Å; V307-W312 HydrophobicContact CG1-CZ2 3.74Å; V307-W312 HydrophobicContact CG1-CZ3 4.29Å; V307-W312 HydrophobicContact CG2-CH2 3.69Å; V307-W312 HydrophobicContact CG2-CZ2 3.82Å; V307-W312 HydrophobicContact CG2-CZ3 4.39Å; W312-D317 HydrophobicContact CZ3-CB 4.45Å; W312-D317 WeakPolarHBondContact CZ3-OD2 3.4Å; W312-I318 HydrophobicContact CD2-CD1 3.73Å; W312-I318 HydrophobicContact CD2-CG1 3.91Å; W312-I318 HydrophobicContact CE3-CD1 3.89Å; W312-I318 HydrophobicContact CE3-CG1 3.64Å; W312-I318 HydrophobicContact CG-CD1 4.06Å; W312-I318 HydrophobicContact CH2-CG1 3.76Å; W312-I318 HydrophobicContact CZ2-CD1 4.39Å; W312-I318 HydrophobicContact CZ2-CG1 3.96Å; W312-I318 HydrophobicContact CZ3-CD1 4.33Å; W312-I318 HydrophobicContact CZ3-CG1 3.58Å; W312-V329 HydrophobicContact CH2-CG1 3.92Å; W312-V329 HydrophobicContact CZ2-CG1 3.92Å; W312-Y331 PolarHBondContact NE1-O 2.87Å
313	T	95.6	Very high	95.6	Very high	4 Å²	4	27.6 Å²	27.6	3%	0.025	15%	0.148	C	C	.	.			trans	-107.5	-14.4	177.9	40.1	0	0	0	0	112.5	N246 S311 R682 E684 T724	N246-T313 PolarHBondContact N-O 2.83Å; S311-T313 PolarHBondContact O-N 2.9Å; T313-R682 HydrophobicContact CG2-CB 4.27Å; T313-E684 WeakPolarHBondContact CB-OE1 3.28Å; T313-E684 PolarHBondContact OG1-OE1 2.95Å; T313-T724 HydrophobicContact CG2-CG2 3.55Å; T313-T724 WeakPolarHBondContact CG2-OG1 3.36Å
314	G	96.9	Very high	95.8	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.01	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-174.9	170.1	-173.9	0	0	0	0	0	113.9	W245 N246 E684	W245-G314 VanDerWaalsContact CZ2-C 3.46Å; N246-G314 CarbonylContact O-C 3.55Å; N246-G314 WeakPolarHBondContact O-CA 3.12Å; G314-E684 WeakPolarHBondContact CA-OE1 3.42Å; G314-E684 PolarHBondContact N-OE1 2.88Å; G314-E684 VanDerWaalsContact N-OE1 3.09Å
315	S	98.5	Very high	96.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	-86.5	-21.8	-175.9	-54.7	0	0	0	0	113.9	W245 N246 D317 I318 L319 A339 V340 S343	W245-S315 PolarHBondContact NE1-OG 3.11Å; N246-S315 PolarHBondContact O-N 3.11Å; S315-D317 PolarHBondContact O-N 2.94Å; S315-I318 PolarHBondContact O-N 3.31Å; S315-L319 WeakPolarHBondContact O-CG 3.21Å; S315-L319 PolarHBondContact O-N 3.39Å; S315-A339 PolarHBondContact OG-O 3.04Å; S315-V340 WeakPolarHBondContact OG-CA 3.08Å; S315-S343 WeakPolarHBondContact CB-OG 3.39Å; S315-S343 PolarHBondContact OG-OG 3.37Å
316	T	97	Very high	96.5	Very high	14 Å²	14	26.8 Å²	26.8	9%	0.086	14%	0.144	C	C	.	.	H	α-helix	trans	-58.2	-50.8	-171.6	-57	0	0	0	0	112	N251 V254 I318 L319 L320	N251-T316 HydrophobicContact CB-CG2 3.81Å; V254-T316 HydrophobicContact CG2-CG2 4.07Å; T316-I318 VanDerWaalsContact C-N 3.3Å; T316-I318 PolarHBondContact O-N 2.9Å; T316-L319 PolarHBondContact O-N 3.48Å; T316-L320 HydrophobicContact CG2-CD1 3.75Å; T316-L320 HydrophobicContact CG2-CG 4.28Å; T316-L320 WeakPolarHBondContact O-CB 3.38Å; T316-L320 VanDerWaalsContact O-CG 3.29Å; T316-L320 WeakPolarHBondContact O-CG 3.28Å; T316-L320 PolarHBondContact O-N 2.88Å
317	D	96.4	Very high	96.6	Very high	42 Å²	42	30.9 Å²	30.9	23%	0.225	16%	0.155	C	C	.	.	H	α-helix	trans	-63.9	-37	-178.4	-174.3	48.1	0	0	0	112	W312 S315 S321 R324 L691	W312-D317 HydrophobicContact CZ3-CB 4.45Å; W312-D317 WeakPolarHBondContact CZ3-OD2 3.4Å; S315-D317 PolarHBondContact O-N 2.94Å; D317-S321 WeakPolarHBondContact O-CB 3.26Å; D317-S321 PolarHBondContact O-N 3.23Å; D317-S321 PolarHBondContact O-OG 3.35Å; D317-R324 IonicContact OD1-NH2 3.53Å; D317-L691 HydrophobicContact CB-CD2 3.66Å
318	I	98.6	Very high	96.7	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.6	-55.5	176.3	-63.7	168.1	0	0	0	110.3	W245 V294 L295 W312 S315 T316 L320 S321 Y322 V329 V336 V340	W245-I318 HydrophobicContact CZ2-CD1 4.43Å; V294-I318 HydrophobicContact CG1-CG2 3.96Å; L295-I318 HydrophobicContact CD2-CD1 4.39Å; L295-I318 HydrophobicContact CD2-CG2 3.5Å; L295-I318 VanDerWaalsContact CD2-CG2 3.5Å; L295-I318 HydrophobicContact CG-CG2 4.1Å; W312-I318 HydrophobicContact CD2-CD1 3.73Å; W312-I318 HydrophobicContact CD2-CG1 3.91Å; W312-I318 HydrophobicContact CE3-CD1 3.89Å; W312-I318 HydrophobicContact CE3-CG1 3.64Å; W312-I318 HydrophobicContact CG-CD1 4.06Å; W312-I318 HydrophobicContact CH2-CG1 3.76Å; W312-I318 HydrophobicContact CZ2-CD1 4.39Å; W312-I318 HydrophobicContact CZ2-CG1 3.96Å; W312-I318 HydrophobicContact CZ3-CD1 4.33Å; W312-I318 HydrophobicContact CZ3-CG1 3.58Å; S315-I318 PolarHBondContact O-N 3.31Å; T316-I318 VanDerWaalsContact C-N 3.3Å; T316-I318 PolarHBondContact O-N 2.9Å; I318-L320 PolarHBondContact O-N 2.91Å; I318-S321 PolarHBondContact O-N 2.78Å; I318-Y322 PolarHBondContact O-N 2.9Å; I318-V329 HydrophobicContact CG2-CB 4.36Å; I318-V329 HydrophobicContact CG2-CG1 4.37Å; I318-V336 HydrophobicContact CD1-CG1 3.85Å; I318-V340 HydrophobicContact CB-CG2 4.32Å; I318-V340 HydrophobicContact CD1-CG2 3.58Å; I318-V340 HydrophobicContact CG2-CG1 4.31Å; I318-V340 HydrophobicContact CG2-CG2 4.12Å
319	L	98.8	Very high	96.9	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-63.1	-43.5	-176.2	-71	171.1	0	0	0	111.6	V254 A257 I261 V294 S315 T316 F323 V340	V254-L319 HydrophobicContact CG1-CD1 3.85Å; A257-L319 HydrophobicContact CB-CB 4.26Å; I261-L319 HydrophobicContact CD1-CD2 3.75Å; V294-L319 HydrophobicContact CG1-CD2 4.48Å; S315-L319 WeakPolarHBondContact O-CG 3.21Å; S315-L319 PolarHBondContact O-N 3.39Å; T316-L319 PolarHBondContact O-N 3.48Å; L319-F323 WeakPolarHBondContact O-CB 3.49Å; L319-F323 PolarHBondContact O-N 2.94Å; L319-V340 HydrophobicContact CD2-CG1 3.73Å; L319-V340 HydrophobicContact CG-CG1 4.01Å
320	L	98.2	Very high	97	Very high	37 Å²	37	32.8 Å²	32.8	19%	0.194	17%	0.168	C	C	.	.	H	α-helix	trans	-70.8	-33.1	178	-65.4	-176.9	0	0	0	112.3	V254 T316 I318 R324	V254-L320 HydrophobicContact CG2-CD2 4.3Å; V254-L320 HydrophobicContact CG2-CG 4.39Å; T316-L320 HydrophobicContact CG2-CD1 3.75Å; T316-L320 HydrophobicContact CG2-CG 4.28Å; T316-L320 WeakPolarHBondContact O-CB 3.38Å; T316-L320 VanDerWaalsContact O-CG 3.29Å; T316-L320 WeakPolarHBondContact O-CG 3.28Å; T316-L320 PolarHBondContact O-N 2.88Å; I318-L320 PolarHBondContact O-N 2.91Å; L320-R324 WeakPolarHBondContact O-CB 3.48Å; L320-R324 VanDerWaalsContact O-CG 3.24Å; L320-R324 WeakPolarHBondContact O-CG 3.43Å; L320-R324 PolarHBondContact O-N 2.87Å; L320-R324 PolarHBondContact O-NE 3.24Å
321	S	98	Very high	97.2	Very high	32 Å²	32	34.1 Å²	34.1	22%	0.224	17%	0.173	C	C	.	.	H	α-helix	trans	-66.4	-47.5	174.2	-68.6	0	0	0	0	111.1	D317 I318 F323 R324 S325	D317-S321 WeakPolarHBondContact O-CB 3.26Å; D317-S321 PolarHBondContact O-N 3.23Å; D317-S321 PolarHBondContact O-OG 3.35Å; I318-S321 PolarHBondContact O-N 2.78Å; S321-F323 VanDerWaalsContact C-N 3.33Å; S321-F323 PolarHBondContact O-N 3.4Å; S321-R324 PolarHBondContact O-N 2.65Å; S321-S325 VanDerWaalsContact O-CB 3.3Å; S321-S325 WeakPolarHBondContact O-CB 3.25Å; S321-S325 PolarHBondContact O-N 3.16Å; S321-S325 PolarHBondContact O-OG 2.91Å
322	Y	98.4	Very high	97.3	Very high	1 Å²	1	33.9 Å²	33.9	0%	0.004	17%	0.171	C	C	.	.	H	α-helix	trans	-57.4	-46.3	173.5	-179	-106.8	0	0	0	111.6	Y260 I261 D292 G293 V294 I318 R324 K326 M327	Y260-Y322 HydrophobicContact CD1-CD1 4.21Å; Y260-Y322 AromaticContact CD1-CE1 3.94Å; Y260-Y322 HydrophobicContact CD1-CE1 3.94Å; Y260-Y322 HydrophobicContact CE1-CD1 4.11Å; Y260-Y322 AromaticContact CE1-CE1 3.69Å; Y260-Y322 HydrophobicContact CE1-CE1 3.69Å; I261-Y322 HydrophobicContact CG1-CD1 4.14Å; I261-Y322 HydrophobicContact CG1-CE1 3.94Å; D292-Y322 PolarHBondContact O-OH 2.78Å; D292-Y322 VanDerWaalsContact O-OH 3.09Å; G293-Y322 WeakPolarHBondContact O-CE2 3.4Å; V294-Y322 HydrophobicContact CB-CD2 4.46Å; V294-Y322 HydrophobicContact CB-CG 4.38Å; V294-Y322 HydrophobicContact CG1-CD1 4.48Å; V294-Y322 HydrophobicContact CG1-CD2 4.47Å; V294-Y322 HydrophobicContact CG1-CG 4.09Å; V294-Y322 HydrophobicContact CG2-CD1 3.99Å; V294-Y322 HydrophobicContact CG2-CE1 4.05Å; V294-Y322 HydrophobicContact CG2-CG 4.28Å; I318-Y322 PolarHBondContact O-N 2.9Å; Y322-R324 VanDerWaalsContact C-N 3.35Å; Y322-R324 PolarHBondContact O-N 3.25Å; Y322-K326 VanDerWaalsContact O-CA 3.28Å; Y322-K326 WeakPolarHBondContact O-CA 3.47Å; Y322-K326 PolarHBondContact O-N 3.23Å; Y322-M327 VanDerWaalsContact CD2-O 3.28Å; Y322-M327 WeakPolarHBondContact CD2-O 3.41Å
323	F	97.7	Very high	97.3	Very high	50 Å²	50	33.7 Å²	33.7	22%	0.219	17%	0.17	C	C	.	.	H	α-helix	trans	-63.5	-37.8	179.4	-177.8	-116.7	0	0	0	112.8	F40 D256 A257 Y260 L319 S321 K326	F40-F323 HydrophobicContact CZ-CE2 4.43Å; D256-F323 HydrophobicContact CB-CE1 4.47Å; D256-F323 HydrophobicContact CB-CZ 4.2Å; A257-F323 HydrophobicContact CB-CB 3.71Å; A257-F323 HydrophobicContact CB-CD2 4.42Å; A257-F323 HydrophobicContact CB-CG 4.06Å; Y260-F323 AromaticContact CD1-CD2 3.64Å; Y260-F323 HydrophobicContact CD1-CD2 3.64Å; Y260-F323 HydrophobicContact CD1-CE2 4.34Å; Y260-F323 HydrophobicContact CD2-CD2 4.27Å; Y260-F323 HydrophobicContact CD2-CE2 4.17Å; Y260-F323 HydrophobicContact CE1-CD2 4.44Å; Y260-F323 AromaticContact CG-CD2 3.53Å; Y260-F323 HydrophobicContact CG-CD2 3.53Å; Y260-F323 AromaticContact CG-CE2 3.78Å; Y260-F323 HydrophobicContact CG-CE2 3.78Å; L319-F323 WeakPolarHBondContact O-CB 3.49Å; L319-F323 PolarHBondContact O-N 2.94Å; S321-F323 VanDerWaalsContact C-N 3.33Å; S321-F323 PolarHBondContact O-N 3.4Å; F323-K326 WeakPolarHBondContact O-CD 3.48Å; F323-K326 WeakPolarHBondContact O-CE 3.3Å; F323-K326 PolarHBondContact O-NZ 3.2Å
324	R	97.6	Very high	97.3	Very high	160 Å²	160	33.5 Å²	33.5	60%	0.604	17%	0.169	S	C	*	.	H	α-helix	trans	-78.3	-46.2	179.8	-73.6	174.9	-71	174.3	-0.2	112.5	D317 L320 S321 Y322	D317-R324 IonicContact OD1-NH2 3.53Å; L320-R324 WeakPolarHBondContact O-CB 3.48Å; L320-R324 VanDerWaalsContact O-CG 3.24Å; L320-R324 WeakPolarHBondContact O-CG 3.43Å; L320-R324 PolarHBondContact O-N 2.87Å; L320-R324 PolarHBondContact O-NE 3.24Å; S321-R324 PolarHBondContact O-N 2.65Å; Y322-R324 VanDerWaalsContact C-N 3.35Å; Y322-R324 PolarHBondContact O-N 3.25Å
325	S	96.7	Very high	97.4	Very high	63 Å²	63	33.5 Å²	33.5	44%	0.441	17%	0.169	S	C	.	.	H	α-helix	trans	-78.4	-25.5	-175.7	71.9	0	0	0	0	112.8	S321 M327	S321-S325 VanDerWaalsContact O-CB 3.3Å; S321-S325 WeakPolarHBondContact O-CB 3.25Å; S321-S325 PolarHBondContact O-N 3.16Å; S321-S325 PolarHBondContact O-OG 2.91Å; S325-M327 PolarHBondContact O-N 3.15Å; S325-M327 PolarHBondContact OG-N 2.8Å; S325-M327 PolarHBondContact OG-O 2.79Å; S325-M327 VanDerWaalsContact OG-O 3.09Å
326	K	95.7	Very high	97.4	Very high	77 Å²	77	33.5 Å²	33.5	34%	0.335	17%	0.169	S	C	.	.			trans	62.2	15.6	-171.3	-45	-69.2	173.4	-166.9	0	112.8	Y260 R264 Y322 F323	Y260-K326 HydrophobicContact CE1-CD 3.88Å; Y260-K326 HydrophobicContact CE2-CD 3.81Å; Y260-K326 WeakPolarHBondContact OH-CD 3.24Å; R264-K326 PolarHBondContact NH2-O 3.46Å; Y322-K326 VanDerWaalsContact O-CA 3.28Å; Y322-K326 WeakPolarHBondContact O-CA 3.47Å; Y322-K326 PolarHBondContact O-N 3.23Å; F323-K326 WeakPolarHBondContact O-CD 3.48Å; F323-K326 WeakPolarHBondContact O-CE 3.3Å; F323-K326 PolarHBondContact O-NZ 3.2Å
327	M	96.3	Very high	97.4	Very high	119 Å²	119	32.9 Å²	32.9	59%	0.586	17%	0.165	S	C	*	.	S	Bend	trans	-123.9	146.8	-175.5	-65.9	-61.4	-63.7	0	0	110.8	Y322 S325	Y322-M327 VanDerWaalsContact CD2-O 3.28Å; Y322-M327 WeakPolarHBondContact CD2-O 3.41Å; S325-M327 PolarHBondContact O-N 3.15Å; S325-M327 PolarHBondContact OG-N 2.8Å; S325-M327 PolarHBondContact OG-O 2.79Å; S325-M327 VanDerWaalsContact OG-O 3.09Å
328	P	97.7	Very high	97.6	Very high	28 Å²	28	30.9 Å²	30.9	18%	0.182	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-51.7	143.4	173.9	-26.9	34.1	0	0	0	113.4	D292 G293 V296	D292-P328 HydrophobicContact CB-CG 4.32Å; G293-P328 WeakPolarHBondContact O-CA 3.48Å; G293-P328 WeakPolarHBondContact O-CB 3.2Å; G293-P328 WeakPolarHBondContact O-CG 3.23Å; V296-P328 HydrophobicContact CG2-CB 3.48Å; V296-P328 VanDerWaalsContact CG2-CB 3.48Å
329	V	98.3	Very high	97.6	Very high	15 Å²	15	30.9 Å²	30.9	9%	0.091	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	125.6	-178	179.4	0	0	0	0	110.1	V294 L295 V296 W312 I318	V294-V329 PolarHBondContact O-N 3.5Å; L295-V329 WeakPolarHBondContact CA-O 3.47Å; L295-V329 HydrophobicContact CD2-CB 4.23Å; L295-V329 HydrophobicContact CD2-CG1 4.49Å; V296-V329 PolarHBondContact N-O 3.32Å; W312-V329 HydrophobicContact CH2-CG1 3.92Å; W312-V329 HydrophobicContact CZ2-CG1 3.92Å; I318-V329 HydrophobicContact CG2-CB 4.36Å; I318-V329 HydrophobicContact CG2-CG1 4.37Å
330	C	97.4	Very high	97.6	Very high	34 Å²	34	30.8 Å²	30.8	23%	0.23	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	130.8	178.4	-66.1	0	0	0	0	110.9	V307	V307-C330 PolarHBondContact N-O 2.98Å
331	Y	96.8	Very high	97.6	Very high	29 Å²	29	29 Å²	29	11%	0.114	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-131.8	167	-4.5	-63.9	-76.3	0	0	0	111.9	V296 N298 Y303 V307 W312	V296-Y331 HydrophobicContact CB-CD1 4.05Å; V296-Y331 HydrophobicContact CB-CE1 4.38Å; V296-Y331 HydrophobicContact CG1-CD1 3.94Å; V296-Y331 HydrophobicContact CG1-CE1 3.96Å; V296-Y331 CarbonylContact O-C 3.45Å; V296-Y331 VanDerWaalsContact O-CA 3.23Å; V296-Y331 WeakPolarHBondContact O-CA 3.07Å; N298-Y331 HydrophobicContact CB-CD1 3.39Å; N298-Y331 HydrophobicContact CB-CD2 4.44Å; N298-Y331 HydrophobicContact CB-CE1 3.97Å; N298-Y331 HydrophobicContact CB-CG 3.66Å; Y303-Y331 AromaticContact CD1-CD2 3.69Å; Y303-Y331 HydrophobicContact CD1-CD2 3.69Å; Y303-Y331 HydrophobicContact CD1-CE2 4.31Å; Y303-Y331 HydrophobicContact CD1-CG 4.19Å; Y303-Y331 HydrophobicContact CG-CD2 4.31Å; V307-Y331 PolarHBondContact O-N 2.75Å; W312-Y331 PolarHBondContact NE1-O 2.87Å
332	A	97	Very high	97.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	160	179.9	0	0	0	0	0	113.5	L295 V296 G297 N298 V336 Y337	L295-A332 HydrophobicContact CB-CB 3.76Å; L295-A332 HydrophobicContact CD1-CB 3.78Å; L295-A332 HydrophobicContact CD2-CB 3.93Å; L295-A332 HydrophobicContact CG-CB 4.03Å; V296-A332 PolarHBondContact O-N 3.2Å; G297-A332 WeakPolarHBondContact CA-O 3.22Å; N298-A332 PolarHBondContact N-O 3.41Å; A332-V336 HydrophobicContact CB-CB 3.88Å; A332-V336 HydrophobicContact CB-CG1 3.8Å; A332-Y337 HydrophobicContact CB-CD1 4.39Å; A332-Y337 HydrophobicContact CB-CD2 4.08Å; A332-Y337 HydrophobicContact CB-CE1 4.1Å; A332-Y337 HydrophobicContact CB-CE2 3.74Å; A332-Y337 HydrophobicContact CB-CG 4.38Å
333	Q	95.7	Very high	97.7	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.134	C	C	.	.			trans	-137.8	177.6	169.7	-72	-176	6.2	0	0	108.5	N298 W299 Y303 P309 W335 V336 Y337 Y576 E616	N298-Q333 PolarHBondContact O-NE2 2.93Å; W299-Q333 HydrophobicContact CD2-CG 3.99Å; W299-Q333 HydrophobicContact CG-CG 4.41Å; W299-Q333 HydrophobicContact CH2-CG 4.42Å; W299-Q333 HydrophobicContact CZ2-CB 4.02Å; W299-Q333 HydrophobicContact CZ2-CG 3.91Å; Y303-Q333 PolarHBondContact OH-NE2 3.06Å; Y303-Q333 VanDerWaalsContact OH-NE2 3.17Å; P309-Q333 HydrophobicContact CB-CB 4.13Å; P309-Q333 HydrophobicContact CB-CG 3.89Å; P309-Q333 HydrophobicContact CG-CG 3.78Å; Q333-W335 VanDerWaalsContact C-N 3.31Å; Q333-W335 HydrophobicContact CB-CD2 4.45Å; Q333-W335 HydrophobicContact CB-CE3 3.93Å; Q333-W335 HydrophobicContact CB-CH2 3.76Å; Q333-W335 HydrophobicContact CB-CZ2 4.26Å; Q333-W335 HydrophobicContact CB-CZ3 3.53Å; Q333-W335 HydrophobicContact CG-CH2 4.3Å; Q333-W335 HydrophobicContact CG-CZ3 4.38Å; Q333-W335 PolarHBondContact O-N 3.03Å; Q333-W335 VanDerWaalsContact O-N 3.13Å; Q333-V336 WeakPolarHBondContact O-CA 3.33Å; Q333-V336 WeakPolarHBondContact O-CB 3.5Å; Q333-V336 PolarHBondContact O-N 3.48Å; Q333-Y337 VanDerWaalsContact O-CD2 3.28Å; Q333-Y337 WeakPolarHBondContact O-CD2 3.4Å; Q333-Y337 PolarHBondContact O-N 3.12Å; Q333-Y576 HydrophobicContact CB-CE1 4.44Å; Q333-Y576 HydrophobicContact CG-CE1 4.46Å; Q333-E616 PolarHBondContact NE2-OE1 2.89Å; Q333-E616 PolarHBondContact NE2-OE2 2.82Å; Q333-E616 PolarHBondContact OE1-OE1 3.02Å
334	C	96.4	Very high	97.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-52.2	-43.6	-166.2	63.4	0	0	0	0	114	V336 Y337 A338 W390 H393 C394 T418 Y576	C334-V336 VanDerWaalsContact C-N 3.35Å; C334-V336 PolarHBondContact O-N 3.28Å; C334-Y337 PolarHBondContact O-N 3.11Å; C334-A338 WeakPolarHBondContact O-CB 3.28Å; C334-A338 PolarHBondContact O-N 3.21Å; C334-W390 HydrophobicContact CB-CZ3 4.38Å; C334-H393 VanDerWaalsContact CB-CE1 3.47Å; C334-H393 WeakPolarHBondContact CB-CE1 3.38Å; C334-H393 VanDerWaalsContact CB-ND1 3.28Å; C334-H393 WeakPolarHBondContact CB-ND1 3.3Å; C334-C394 HydrophobicContact CB-CB 4.4Å; C334-T418 WeakPolarHBondContact CA-OG1 3.5Å; C334-T418 HydrophobicContact CB-CG2 4.09Å; C334-Y576 PolarHBondContact N-OH 3.49Å; C334-Y576 WeakPolarHBondContact SG-CE2 3.44Å; C334-Y576 PolarHBondContact SG-OH 3.29Å
335	W	97.7	Very high	97.8	Very high	1 Å²	1	17.5 Å²	17.5	0%	0.004	10%	0.095	C	C	.	.	H	α-helix	trans	-67.8	-32.3	178.5	69.5	88.9	0	0	0	113.5	I232 P309 T310 Q333 A339 Y392 C394 Y576	I232-W335 HydrophobicContact CD1-CB 4.42Å; I232-W335 HydrophobicContact CG2-CB 4Å; P309-W335 HydrophobicContact CB-CH2 4.33Å; P309-W335 HydrophobicContact CB-CZ2 3.86Å; T310-W335 HydrophobicContact CG2-CZ2 4.2Å; Q333-W335 VanDerWaalsContact C-N 3.31Å; Q333-W335 HydrophobicContact CB-CD2 4.45Å; Q333-W335 HydrophobicContact CB-CE3 3.93Å; Q333-W335 HydrophobicContact CB-CH2 3.76Å; Q333-W335 HydrophobicContact CB-CZ2 4.26Å; Q333-W335 HydrophobicContact CB-CZ3 3.53Å; Q333-W335 HydrophobicContact CG-CH2 4.3Å; Q333-W335 HydrophobicContact CG-CZ3 4.38Å; Q333-W335 PolarHBondContact O-N 3.03Å; Q333-W335 VanDerWaalsContact O-N 3.13Å; W335-A339 WeakPolarHBondContact O-CB 3.29Å; W335-A339 PolarHBondContact O-N 3.04Å; W335-Y392 HydrophobicContact CE3-CE2 4.34Å; W335-C394 HydrophobicContact CB-CB 4.31Å; W335-Y576 HydrophobicContact CH2-CE1 4.48Å; W335-Y576 HydrophobicContact CZ3-CD1 4.2Å; W335-Y576 AromaticContact CZ3-CE1 3.77Å; W335-Y576 HydrophobicContact CZ3-CE1 3.77Å; W335-Y576 HydrophobicContact CZ3-CE2 4.26Å; W335-Y576 AromaticContact CZ3-CZ 3.78Å
336	V	98.4	Very high	97.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-70.1	-44.8	176.3	-177.7	0	0	0	0	109.2	W245 L295 P309 I318 A332 Q333 C334 A339 V340	W245-V336 HydrophobicContact CH2-CG1 4.18Å; W245-V336 HydrophobicContact CH2-CG2 4.34Å; L295-V336 HydrophobicContact CD1-CG1 4.06Å; L295-V336 HydrophobicContact CD2-CG1 4.47Å; P309-V336 HydrophobicContact CB-CG2 4.18Å; I318-V336 HydrophobicContact CD1-CG1 3.85Å; A332-V336 HydrophobicContact CB-CB 3.88Å; A332-V336 HydrophobicContact CB-CG1 3.8Å; Q333-V336 WeakPolarHBondContact O-CA 3.33Å; Q333-V336 WeakPolarHBondContact O-CB 3.5Å; Q333-V336 PolarHBondContact O-N 3.48Å; C334-V336 VanDerWaalsContact C-N 3.35Å; C334-V336 PolarHBondContact O-N 3.28Å; V336-A339 PolarHBondContact O-N 3.26Å; V336-V340 HydrophobicContact CG1-CG2 4.35Å; V336-V340 WeakPolarHBondContact O-CB 3.37Å; V336-V340 VanDerWaalsContact O-CG2 3.3Å; V336-V340 WeakPolarHBondContact O-CG2 3.43Å; V336-V340 PolarHBondContact O-N 2.75Å
337	Y	98.6	Very high	98	Very high	1 Å²	1	11 Å²	11	0%	0.004	6%	0.058	C	C	.	.	H	α-helix	trans	-56.5	-52.5	173.1	-75.3	-65.5	0	0	0	111	L286 N287 L295 G297 W299 A332 Q333 C334 A339 V340 F341 T418	L286-Y337 WeakPolarHBondContact O-CE1 3.46Å; N287-Y337 HydrophobicContact CB-CE1 3.75Å; L295-Y337 HydrophobicContact CB-CD1 4.05Å; L295-Y337 HydrophobicContact CB-CE1 3.44Å; L295-Y337 VanDerWaalsContact CB-CE1 3.44Å; L295-Y337 HydrophobicContact CD1-CD1 3.76Å; L295-Y337 HydrophobicContact CD1-CE1 4.03Å; L295-Y337 HydrophobicContact CD1-CG 4.47Å; L295-Y337 HydrophobicContact CG-CE1 4.39Å; L295-Y337 PolarHBondContact O-OH 2.96Å; L295-Y337 VanDerWaalsContact O-OH 3.11Å; G297-Y337 WeakPolarHBondContact CA-OH 3.34Å; G297-Y337 PolarHBondContact N-OH 2.85Å; W299-Y337 HydrophobicContact CH2-CE2 4.15Å; A332-Y337 HydrophobicContact CB-CD1 4.39Å; A332-Y337 HydrophobicContact CB-CD2 4.08Å; A332-Y337 HydrophobicContact CB-CE1 4.1Å; A332-Y337 HydrophobicContact CB-CE2 3.74Å; A332-Y337 HydrophobicContact CB-CG 4.38Å; Q333-Y337 VanDerWaalsContact O-CD2 3.28Å; Q333-Y337 WeakPolarHBondContact O-CD2 3.4Å; Q333-Y337 PolarHBondContact O-N 3.12Å; C334-Y337 PolarHBondContact O-N 3.11Å; Y337-A339 VanDerWaalsContact C-N 3.31Å; Y337-A339 PolarHBondContact O-N 2.89Å; Y337-V340 PolarHBondContact O-N 2.85Å; Y337-F341 VanDerWaalsContact O-CB 3.26Å; Y337-F341 WeakPolarHBondContact O-CB 3.42Å; Y337-F341 PolarHBondContact O-N 3.43Å; Y337-T418 HydrophobicContact CD2-CG2 4.26Å
338	A	98.8	Very high	98.2	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-61.8	-39	-178.5	0	0	0	0	0	112.3	C334 N342 V354 C394 N396	C334-A338 WeakPolarHBondContact O-CB 3.28Å; C334-A338 PolarHBondContact O-N 3.21Å; A338-N342 VanDerWaalsContact O-CB 3.24Å; A338-N342 WeakPolarHBondContact O-CB 3.47Å; A338-N342 PolarHBondContact O-N 2.86Å; A338-V354 HydrophobicContact CB-CG1 3.99Å; A338-V354 HydrophobicContact CB-CG2 4.38Å; A338-C394 HydrophobicContact CB-CB 4.13Å; A338-N396 WeakPolarHBondContact CA-OD1 3.45Å; A338-N396 PolarHBondContact O-ND2 2.68Å; A338-N396 PolarHBondContact O-OD1 3.23Å
339	A	98.7	Very high	98.2	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-73.8	-40.4	-178.5	0	0	0	0	0	113.3	I232 W245 Y247 S315 W335 V336 Y337 N342 S343	I232-A339 HydrophobicContact CD1-CB 3.74Å; W245-A339 HydrophobicContact CD2-CB 3.66Å; W245-A339 HydrophobicContact CE3-CB 4.36Å; W245-A339 HydrophobicContact CG-CB 3.89Å; W245-A339 HydrophobicContact CH2-CB 4.42Å; W245-A339 HydrophobicContact CZ2-CB 3.75Å; Y247-A339 WeakPolarHBondContact CD1-O 3.36Å; Y247-A339 HydrophobicContact CE1-CB 4.21Å; S315-A339 PolarHBondContact OG-O 3.04Å; W335-A339 WeakPolarHBondContact O-CB 3.29Å; W335-A339 PolarHBondContact O-N 3.04Å; V336-A339 PolarHBondContact O-N 3.26Å; Y337-A339 VanDerWaalsContact C-N 3.31Å; Y337-A339 PolarHBondContact O-N 2.89Å; A339-N342 WeakPolarHBondContact O-CB 3.28Å; A339-N342 PolarHBondContact O-N 2.82Å; A339-S343 PolarHBondContact O-N 2.99Å; A339-S343 PolarHBondContact O-OG 3.04Å
340	V	98.9	Very high	98.2	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-68.9	-39.1	175.3	177.5	0	0	0	0	110.7	W245 L286 V294 L295 S315 I318 L319 V336 Y337 N342 S343 F344	W245-V340 HydrophobicContact CZ2-CG2 4.33Å; L286-V340 HydrophobicContact CD1-CB 4.34Å; L286-V340 HydrophobicContact CD1-CG1 3.73Å; V294-V340 HydrophobicContact CG1-CG1 4.47Å; L295-V340 HydrophobicContact CD1-CB 4.15Å; L295-V340 HydrophobicContact CD1-CG1 4.44Å; L295-V340 HydrophobicContact CD1-CG2 4.1Å; S315-V340 WeakPolarHBondContact OG-CA 3.08Å; I318-V340 HydrophobicContact CB-CG2 4.32Å; I318-V340 HydrophobicContact CD1-CG2 3.58Å; I318-V340 HydrophobicContact CG2-CG1 4.31Å; I318-V340 HydrophobicContact CG2-CG2 4.12Å; L319-V340 HydrophobicContact CD2-CG1 3.73Å; L319-V340 HydrophobicContact CG-CG1 4.01Å; V336-V340 HydrophobicContact CG1-CG2 4.35Å; V336-V340 WeakPolarHBondContact O-CB 3.37Å; V336-V340 VanDerWaalsContact O-CG2 3.3Å; V336-V340 WeakPolarHBondContact O-CG2 3.43Å; V336-V340 PolarHBondContact O-N 2.75Å; Y337-V340 PolarHBondContact O-N 2.85Å; V340-N342 VanDerWaalsContact C-N 3.34Å; V340-S343 WeakPolarHBondContact O-CB 3.31Å; V340-S343 PolarHBondContact O-N 2.88Å; V340-F344 PolarHBondContact O-N 3.43Å
341	F	98.9	Very high	98.3	Very high	0 Å²	0	1.7 Å²	1.7	0%	0	1%	0.007	C	C	.	.	H	α-helix	trans	-65.4	-39.5	174.6	-170.2	-145.7	0	0	0	111.9	A282 L286 Y337 S343 F344 L345 N396 V415 A417	A282-F341 HydrophobicContact CB-CD2 4.38Å; A282-F341 HydrophobicContact CB-CE2 3.57Å; A282-F341 HydrophobicContact CB-CZ 4.34Å; L286-F341 HydrophobicContact CD1-CB 4.46Å; L286-F341 HydrophobicContact CD2-CB 4.35Å; L286-F341 HydrophobicContact CD2-CD2 3.44Å; L286-F341 VanDerWaalsContact CD2-CD2 3.44Å; L286-F341 HydrophobicContact CD2-CE2 4.08Å; L286-F341 HydrophobicContact CD2-CG 4.12Å; L286-F341 HydrophobicContact CG-CB 3.91Å; L286-F341 HydrophobicContact CG-CD2 3.97Å; L286-F341 HydrophobicContact CG-CG 4.15Å; Y337-F341 VanDerWaalsContact O-CB 3.26Å; Y337-F341 WeakPolarHBondContact O-CB 3.42Å; Y337-F341 PolarHBondContact O-N 3.43Å; F341-S343 VanDerWaalsContact C-N 3.32Å; F341-S343 PolarHBondContact O-N 2.74Å; F341-F344 HydrophobicContact CD2-CB 4.42Å; F341-F344 HydrophobicContact CD2-CD1 4.03Å; F341-F344 AromaticContact CE2-CD1 3.88Å; F341-F344 HydrophobicContact CE2-CD1 3.88Å; F341-F344 HydrophobicContact CE2-CE1 4.34Å; F341-F344 WeakPolarHBondContact O-CB 3.42Å; F341-F344 PolarHBondContact O-N 2.88Å; F341-F344 VanDerWaalsContact O-N 3.15Å; F341-L345 HydrophobicContact CD1-CD1 4.1Å; F341-L345 HydrophobicContact CD2-CD1 4.28Å; F341-L345 HydrophobicContact CD2-CG 4.09Å; F341-L345 HydrophobicContact CE1-CD1 3.83Å; F341-L345 HydrophobicContact CE1-CG 4.46Å; F341-L345 HydrophobicContact CE2-CD1 4.06Å; F341-L345 HydrophobicContact CE2-CD2 3.78Å; F341-L345 HydrophobicContact CE2-CG 3.79Å; F341-L345 HydrophobicContact CG-CD1 4.3Å; F341-L345 HydrophobicContact CZ-CD1 3.83Å; F341-L345 HydrophobicContact CZ-CD2 3.85Å; F341-L345 HydrophobicContact CZ-CG 4.01Å; F341-L345 WeakPolarHBondContact O-CG 3.43Å; F341-L345 PolarHBondContact O-N 3.5Å; F341-N396 HydrophobicContact CD1-CB 4.02Å; F341-N396 VanDerWaalsContact CD1-OD1 3.25Å; F341-N396 WeakPolarHBondContact CD1-OD1 3.36Å; F341-N396 HydrophobicContact CE1-CB 4.34Å; F341-V415 HydrophobicContact CD1-CG1 4.44Å; F341-V415 HydrophobicContact CE1-CB 3.8Å; F341-V415 HydrophobicContact CE1-CG1 3.37Å; F341-V415 HydrophobicContact CZ-CB 4.5Å; F341-V415 HydrophobicContact CZ-CG1 3.83Å; F341-A417 HydrophobicContact CB-CB 4.4Å; F341-A417 HydrophobicContact CD1-CB 4.25Å; F341-A417 HydrophobicContact CG-CB 4.41Å
342	N	98.9	Very high	98.4	Very high	0 Å²	0	0.3 Å²	0.3	0%	0	0%	0.001	C	C	.	.	H	α-helix	trans	-59.2	-43.2	173.6	-166.4	69.1	0	0	0	111.8	Y247 A338 A339 V340 F344 L345 R346 S352 R353 V354 N396	Y247-N342 HydrophobicContact CD1-CB 4.16Å; Y247-N342 WeakPolarHBondContact CD1-ND2 3.39Å; Y247-N342 HydrophobicContact CE1-CB 3.77Å; Y247-N342 WeakPolarHBondContact CE1-ND2 3.33Å; Y247-N342 VanDerWaalsContact CE2-ND2 3.29Å; Y247-N342 WeakPolarHBondContact CE2-ND2 3.27Å; A338-N342 VanDerWaalsContact O-CB 3.24Å; A338-N342 WeakPolarHBondContact O-CB 3.47Å; A338-N342 PolarHBondContact O-N 2.86Å; A339-N342 WeakPolarHBondContact O-CB 3.28Å; A339-N342 PolarHBondContact O-N 2.82Å; V340-N342 VanDerWaalsContact C-N 3.34Å; N342-F344 VanDerWaalsContact C-N 3.34Å; N342-F344 PolarHBondContact O-N 2.74Å; N342-L345 PolarHBondContact O-N 2.99Å; N342-R346 VanDerWaalsContact ND2-CZ 3.34Å; N342-R346 PolarHBondContact ND2-NE 3.48Å; N342-R346 WeakPolarHBondContact O-CB 3.24Å; N342-R346 WeakPolarHBondContact O-CG 3.34Å; N342-R346 PolarHBondContact O-N 3.18Å; N342-S352 PolarHBondContact O-OG 3.27Å; N342-S352 WeakPolarHBondContact OD1-CB 3.43Å; N342-S352 PolarHBondContact OD1-O 2.97Å; N342-S352 PolarHBondContact OD1-OG 3.05Å; N342-R353 PolarHBondContact OD1-N 3.24Å; N342-V354 HydrophobicContact CB-CG2 3.85Å; N342-N396 WeakPolarHBondContact CB-ND2 3.32Å
343	S	98.8	Very high	98.5	Very high	0 Å²	0	0.5 Å²	0.5	0%	0	0%	0.002	C	C	.	.	H	α-helix	trans	-58.8	-44.5	173.8	-65.4	0	0	0	0	112.2	Y247 S315 A339 V340 F341 C347	Y247-S343 WeakPolarHBondContact CA-OG 3.33Å; Y247-S343 WeakPolarHBondContact CB-OG 3.42Å; Y247-S343 WeakPolarHBondContact O-CB 3.42Å; Y247-S343 PolarHBondContact O-OG 2.83Å; S315-S343 WeakPolarHBondContact CB-OG 3.39Å; S315-S343 PolarHBondContact OG-OG 3.37Å; A339-S343 PolarHBondContact O-N 2.99Å; A339-S343 PolarHBondContact O-OG 3.04Å; V340-S343 WeakPolarHBondContact O-CB 3.31Å; V340-S343 PolarHBondContact O-N 2.88Å; F341-S343 VanDerWaalsContact C-N 3.32Å; F341-S343 PolarHBondContact O-N 2.74Å; S343-C347 WeakPolarHBondContact O-CB 3.42Å; S343-C347 PolarHBondContact O-N 3.16Å
344	F	98.9	Very high	98.6	Very high	0 Å²	0	0.8 Å²	0.8	0%	0	0%	0.004	C	C	.	.	H	α-helix	trans	-58.4	-49	176.9	170.5	-87	0	0	0	111.8	C258 I261 M262 V278 A282 V340 F341 N342 C347 L348	C258-F344 HydrophobicContact CB-CD2 3.75Å; C258-F344 HydrophobicContact CB-CE2 4.03Å; C258-F344 WeakPolarHBondContact O-CE2 3.28Å; I261-F344 HydrophobicContact CB-CE2 4.15Å; I261-F344 HydrophobicContact CD1-CD2 4.06Å; I261-F344 HydrophobicContact CG2-CE2 4.08Å; M262-F344 HydrophobicContact CG-CE2 4.31Å; M262-F344 HydrophobicContact CG-CZ 4.03Å; M262-F344 HydrophobicContact SD-CZ 4.4Å; V278-F344 HydrophobicContact CG1-CE1 4.02Å; V278-F344 HydrophobicContact CG1-CZ 4.23Å; A282-F344 HydrophobicContact CB-CD1 3.94Å; A282-F344 HydrophobicContact CB-CE1 3.32Å; A282-F344 HydrophobicContact CB-CZ 3.66Å; V340-F344 PolarHBondContact O-N 3.43Å; F341-F344 HydrophobicContact CD2-CB 4.42Å; F341-F344 HydrophobicContact CD2-CD1 4.03Å; F341-F344 AromaticContact CE2-CD1 3.88Å; F341-F344 HydrophobicContact CE2-CD1 3.88Å; F341-F344 HydrophobicContact CE2-CE1 4.34Å; F341-F344 WeakPolarHBondContact O-CB 3.42Å; F341-F344 PolarHBondContact O-N 2.88Å; F341-F344 VanDerWaalsContact O-N 3.15Å; N342-F344 VanDerWaalsContact C-N 3.34Å; N342-F344 PolarHBondContact O-N 2.74Å; F344-C347 PolarHBondContact O-N 3.04Å; F344-L348 HydrophobicContact CD1-CD1 4.35Å; F344-L348 HydrophobicContact CE1-CD1 3.7Å; F344-L348 HydrophobicContact CE2-CD1 3.96Å; F344-L348 HydrophobicContact CZ-CD1 3.48Å; F344-L348 VanDerWaalsContact CZ-CD1 3.48Å; F344-L348 WeakPolarHBondContact O-CG 3.45Å; F344-L348 PolarHBondContact O-N 3.42Å
345	L	98.9	Very high	98.7	Very high	0 Å²	0	0.8 Å²	0.8	0%	0	0%	0.004	C	C	.	.	H	α-helix	trans	-63.1	-50.5	-179.6	-66.4	169.8	0	0	0	111.8	T279 F341 N342 C347 L348 G349 I350 S352 N396 C398	T279-L345 HydrophobicContact CG2-CD2 3.48Å; T279-L345 VanDerWaalsContact CG2-CD2 3.48Å; F341-L345 HydrophobicContact CD1-CD1 4.1Å; F341-L345 HydrophobicContact CD2-CD1 4.28Å; F341-L345 HydrophobicContact CD2-CG 4.09Å; F341-L345 HydrophobicContact CE1-CD1 3.83Å; F341-L345 HydrophobicContact CE1-CG 4.46Å; F341-L345 HydrophobicContact CE2-CD1 4.06Å; F341-L345 HydrophobicContact CE2-CD2 3.78Å; F341-L345 HydrophobicContact CE2-CG 3.79Å; F341-L345 HydrophobicContact CG-CD1 4.3Å; F341-L345 HydrophobicContact CZ-CD1 3.83Å; F341-L345 HydrophobicContact CZ-CD2 3.85Å; F341-L345 HydrophobicContact CZ-CG 4.01Å; F341-L345 WeakPolarHBondContact O-CG 3.43Å; F341-L345 PolarHBondContact O-N 3.5Å; N342-L345 PolarHBondContact O-N 2.99Å; L345-C347 VanDerWaalsContact C-N 3.32Å; L345-C347 PolarHBondContact O-N 2.86Å; L345-L348 PolarHBondContact O-N 2.6Å; L345-G349 PolarHBondContact O-N 3.16Å; L345-G349 VanDerWaalsContact O-N 3.13Å; L345-I350 CarbonylContact C-O 3.54Å; L345-I350 HydrophobicContact CB-CB 4.31Å; L345-I350 HydrophobicContact CD2-CB 4.34Å; L345-I350 HydrophobicContact CD2-CD1 3.99Å; L345-I350 HydrophobicContact CD2-CG2 4.35Å; L345-I350 PolarHBondContact O-N 3.45Å; L345-S352 WeakPolarHBondContact CB-OG 3.32Å; L345-N396 HydrophobicContact CD1-CB 4.49Å; L345-C398 HydrophobicContact CD1-CB 4.16Å
346	R	98.8	Very high	98.8	Very high	4 Å²	4	0.8 Å²	0.8	2%	0.015	0%	0.004	C	C	.	.	H	α-helix	trans	-61.3	-40	177.9	-67.9	-168.1	179.9	-176.2	-0.4	112.1	E223 C224 N227 Y247 Q249 N342 L348 G349 S352	E223-R346 PolarHBondContact O-NH1 3.47Å; E223-R346 PolarHBondContact O-NH2 3.46Å; C224-R346 VanDerWaalsContact O-CG 3.3Å; C224-R346 WeakPolarHBondContact O-CG 3.39Å; C224-R346 PolarHBondContact O-NE 3.1Å; N227-R346 PolarHBondContact O-NH1 2.67Å; Y247-R346 VanDerWaalsContact CE2-NH1 3.34Å; Q249-R346 HydrophobicContact CB-CB 4.38Å; Q249-R346 HydrophobicContact CG-CB 4.09Å; N342-R346 VanDerWaalsContact ND2-CZ 3.34Å; N342-R346 PolarHBondContact ND2-NE 3.48Å; N342-R346 WeakPolarHBondContact O-CB 3.24Å; N342-R346 WeakPolarHBondContact O-CG 3.34Å; N342-R346 PolarHBondContact O-N 3.18Å; R346-L348 VanDerWaalsContact C-N 3.28Å; R346-L348 PolarHBondContact O-N 3.25Å; R346-G349 PolarHBondContact O-N 2.86Å; R346-S352 PolarHBondContact NE-O 3.01Å; R346-S352 PolarHBondContact NH2-O 3.02Å
347	C	98.8	Very high	98.7	Very high	0 Å²	0	0.8 Å²	0.8	0%	0	0%	0.004	C	C	.	.	H	α-helix	trans	-60.5	-38	178.1	-167	0	0	0	0	112.1	Y90 Q249 L255 S343 F344 L345 G349	Y90-C347 PolarHBondContact OH-O 2.91Å; Q249-C347 HydrophobicContact CB-CB 3.85Å; Q249-C347 PolarHBondContact O-SG 3.15Å; L255-C347 WeakPolarHBondContact CA-SG 3.22Å; S343-C347 WeakPolarHBondContact O-CB 3.42Å; S343-C347 PolarHBondContact O-N 3.16Å; F344-C347 PolarHBondContact O-N 3.04Å; L345-C347 VanDerWaalsContact C-N 3.32Å; L345-C347 PolarHBondContact O-N 2.86Å; C347-G349 VanDerWaalsContact C-N 3.33Å
348	L	98.9	Very high	98.5	Very high	0 Å²	0	0.8 Å²	0.8	0%	0	0%	0.004	C	C	.	.	H	α-helix	trans	-82.4	-8.7	176.6	-62.3	-178.4	0	0	0	113.7	V174 L203 F204 L255 C258 L259 M262 V278 F344 L345 R346	V174-L348 HydrophobicContact CG1-CD2 4.25Å; L203-L348 WeakPolarHBondContact CB-O 3.19Å; F204-L348 WeakPolarHBondContact CB-O 3.15Å; F204-L348 HydrophobicContact CD2-CB 4.21Å; F204-L348 WeakPolarHBondContact CD2-O 3.46Å; F204-L348 PolarHBondContact N-O 2.89Å; L255-L348 HydrophobicContact CD1-CD2 4.07Å; C258-L348 HydrophobicContact CB-CD2 4.15Å; C258-L348 HydrophobicContact CB-CG 4.41Å; L259-L348 HydrophobicContact CD2-CD2 4.11Å; M262-L348 HydrophobicContact CE-CD1 3.98Å; M262-L348 HydrophobicContact CE-CD2 4.25Å; M262-L348 HydrophobicContact SD-CD1 4.23Å; V278-L348 HydrophobicContact CG1-CD1 4.14Å; F344-L348 HydrophobicContact CD1-CD1 4.35Å; F344-L348 HydrophobicContact CE1-CD1 3.7Å; F344-L348 HydrophobicContact CE2-CD1 3.96Å; F344-L348 HydrophobicContact CZ-CD1 3.48Å; F344-L348 VanDerWaalsContact CZ-CD1 3.48Å; F344-L348 WeakPolarHBondContact O-CG 3.45Å; F344-L348 PolarHBondContact O-N 3.42Å; L345-L348 PolarHBondContact O-N 2.6Å; R346-L348 VanDerWaalsContact C-N 3.28Å; R346-L348 PolarHBondContact O-N 3.25Å
349	G	98.8	Very high	98.2	Very high	0 Å²	0	1.4 Å²	1.4	0%	0	1%	0.006	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.5	14.1	179.9	0	0	0	0	0	115.3	P206 L345 R346 C347	P206-G349 WeakPolarHBondContact CD-O 3.48Å; L345-G349 PolarHBondContact O-N 3.16Å; L345-G349 VanDerWaalsContact O-N 3.13Å; R346-G349 PolarHBondContact O-N 2.86Å; C347-G349 VanDerWaalsContact C-N 3.33Å
350	I	98.9	Very high	97.8	Very high	0 Å²	0	1.4 Å²	1.4	0%	0	1%	0.006	C	C	.	.			trans	-84.7	119	172	-56	178.3	0	0	0	107.5	F204 V213 P275 V278 T279 L345 S352 C398 M400	F204-I350 HydrophobicContact CB-CG1 4.37Å; F204-I350 HydrophobicContact CD2-CD1 3.91Å; F204-I350 HydrophobicContact CD2-CG1 3.46Å; F204-I350 VanDerWaalsContact CD2-CG1 3.46Å; F204-I350 HydrophobicContact CE2-CD1 3.72Å; F204-I350 HydrophobicContact CE2-CG1 3.84Å; F204-I350 HydrophobicContact CG-CG1 3.89Å; F204-I350 HydrophobicContact CZ-CD1 4.29Å; V213-I350 HydrophobicContact CG1-CG1 4.36Å; V213-I350 HydrophobicContact CG1-CG2 4.3Å; P275-I350 HydrophobicContact CB-CD1 4.26Å; V278-I350 HydrophobicContact CG1-CD1 4.13Å; T279-I350 HydrophobicContact CG2-CD1 4.07Å; L345-I350 CarbonylContact C-O 3.54Å; L345-I350 HydrophobicContact CB-CB 4.31Å; L345-I350 HydrophobicContact CD2-CB 4.34Å; L345-I350 HydrophobicContact CD2-CD1 3.99Å; L345-I350 HydrophobicContact CD2-CG2 4.35Å; L345-I350 PolarHBondContact O-N 3.45Å; I350-S352 PolarHBondContact O-N 3.34Å; I350-C398 HydrophobicContact CG2-CB 4.04Å; I350-M400 HydrophobicContact CG2-CE 4.41Å
351	P	98.9	Very high	97.2	Very high	0 Å²	0	1.4 Å²	1.4	0%	0	1%	0.006	C	C	.	.			trans	-60.5	126	176.8	-20.2	31.6	0	0	0	110.6	P206 L215 C224 V225 C398 Y399	P206-P351 HydrophobicContact CB-CG 3.58Å; P206-P351 HydrophobicContact CG-CG 4.21Å; L215-P351 HydrophobicContact CB-CG 4.34Å; L215-P351 HydrophobicContact CD2-CB 3.94Å; L215-P351 HydrophobicContact CD2-CG 4.24Å; C224-P351 HydrophobicContact CB-CB 4.07Å; C224-P351 WeakPolarHBondContact O-CA 3.32Å; V225-P351 HydrophobicContact CG2-CB 3.93Å; V225-P351 HydrophobicContact CG2-CG 3.84Å; P351-C398 CarbonylContact O-C 3.37Å; P351-C398 WeakPolarHBondContact O-CA 3.29Å; P351-Y399 PolarHBondContact O-N 2.98Å
352	S	98.8	Very high	96	Very high	0 Å²	0	2 Å²	2	0%	0	1%	0.009	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	153	-178.6	68.9	0	0	0	0	113.8	C224 N342 L345 R346 I350 E397	C224-S352 PolarHBondContact O-N 3.41Å; N342-S352 PolarHBondContact O-OG 3.27Å; N342-S352 WeakPolarHBondContact OD1-CB 3.43Å; N342-S352 PolarHBondContact OD1-O 2.97Å; N342-S352 PolarHBondContact OD1-OG 3.05Å; L345-S352 WeakPolarHBondContact CB-OG 3.32Å; R346-S352 PolarHBondContact NE-O 3.01Å; R346-S352 PolarHBondContact NH2-O 3.02Å; I350-S352 PolarHBondContact O-N 3.34Å; S352-E397 CarbonylContact C-O 3.55Å; S352-E397 WeakPolarHBondContact CA-O 3.15Å; S352-E397 WeakPolarHBondContact CB-O 3.33Å
353	R	98.7	Very high	94.4	Very high	5 Å²	5	5.1 Å²	5.1	2%	0.019	3%	0.026	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	149.3	175.8	62.8	-170	-174.6	-171	6.7	111.2	N342 V355 N396 E397 W412 Q500	N342-R353 PolarHBondContact OD1-N 3.24Å; R353-V355 HydrophobicContact CG-CG2 4.37Å; R353-N396 WeakPolarHBondContact O-CA 3.3Å; R353-E397 HydrophobicContact CG-CB 4Å; R353-E397 IonicContact CZ-OE2 3.43Å; R353-E397 PolarHBondContact N-O 2.92Å; R353-E397 IonicContact NE-OE2 2.77Å; R353-E397 PolarHBondContact NE-OE2 3.29Å; R353-E397 IonicContact NH2-OE1 3.58Å; R353-E397 IonicContact NH2-OE2 3.87Å; R353-E397 PolarHBondContact NH2-OE2 2.77Å; R353-E397 PolarHBondContact O-N 3.37Å; R353-W412 HydrophobicContact CG-CH2 4.32Å; R353-W412 HydrophobicContact CG-CZ3 4.15Å; R353-Q500 VanDerWaalsContact NH2-OE1 3.1Å
354	V	98.8	Very high	92.8	Very high	6 Å²	6	5.4 Å²	5.4	4%	0.036	3%	0.027	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	137.4	170	177.9	0	0	0	0	108.4	I232 Y247 A338 N342 T486	I232-V354 HydrophobicContact CG1-CG1 4.31Å; I232-V354 HydrophobicContact CG2-CG1 4.2Å; Y247-V354 HydrophobicContact CE1-CG2 4.23Å; Y247-V354 WeakPolarHBondContact OH-CG2 3.46Å; A338-V354 HydrophobicContact CB-CG1 3.99Å; A338-V354 HydrophobicContact CB-CG2 4.38Å; N342-V354 HydrophobicContact CB-CG2 3.85Å; V354-T486 WeakPolarHBondContact O-CB 3.21Å; V354-T486 PolarHBondContact O-OG1 2.97Å
355	V	98.5	Very high	91.3	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	139.4	179.9	175.3	0	0	0	0	108.9	R353 C394 W395 E397 V484 L485 I497	R353-V355 HydrophobicContact CG-CG2 4.37Å; V355-C394 WeakPolarHBondContact O-CA 3.44Å; V355-W395 HydrophobicContact CG1-CZ2 4.08Å; V355-W395 PolarHBondContact N-O 2.89Å; V355-W395 PolarHBondContact O-N 3.39Å; V355-E397 HydrophobicContact CG2-CB 4.31Å; V355-E397 HydrophobicContact CG2-CG 3.82Å; V355-V484 HydrophobicContact CG1-CG1 3.19Å; V355-L485 CarbonylContact C-O 3.48Å; V355-L485 WeakPolarHBondContact CA-O 3.07Å; V355-I497 HydrophobicContact CG1-CD1 4.24Å; V355-I497 HydrophobicContact CG2-CD1 4Å
356	T	98.5	Very high	89.8	Confident	1 Å²	1	13.1 Å²	13.1	1%	0.006	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	119.5	174.9	-58.7	0	0	0	0	109.4	Y233 Y358 Y392 H393 C394 V484 L485	Y233-T356 WeakPolarHBondContact O-CG2 3.49Å; Y233-T356 PolarHBondContact O-OG1 3.13Å; T356-Y358 HydrophobicContact CG2-CD2 4.09Å; T356-Y358 HydrophobicContact CG2-CE2 3.56Å; T356-Y392 HydrophobicContact CG2-CD2 3.95Å; T356-Y392 HydrophobicContact CG2-CG 4.18Å; T356-H393 CarbonylContact C-O 3.57Å; T356-H393 WeakPolarHBondContact CA-O 3.24Å; T356-C394 PolarHBondContact OG1-SG 3.43Å; T356-V484 CarbonylContact O-C 3.58Å; T356-V484 VanDerWaalsContact O-CA 3.3Å; T356-V484 WeakPolarHBondContact O-CA 3.11Å; T356-L485 PolarHBondContact N-O 2.9Å; T356-L485 PolarHBondContact O-N 3.26Å
357	N	97.6	Very high	88.7	Confident	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	125.8	172.7	179.9	33.7	0	0	0	110.9	S360 Y392 H393 W395 E454 G481 V484	N357-S360 WeakPolarHBondContact ND2-CA 3.41Å; N357-S360 VanDerWaalsContact ND2-CB 3.32Å; N357-S360 WeakPolarHBondContact ND2-CB 3.32Å; N357-S360 PolarHBondContact ND2-OG 3.47Å; N357-Y392 CarbonylContact O-C 3.53Å; N357-Y392 WeakPolarHBondContact O-CA 3.27Å; N357-H393 PolarHBondContact N-O 3Å; N357-H393 PolarHBondContact O-N 2.89Å; N357-W395 HydrophobicContact CB-CE3 4.4Å; N357-W395 HydrophobicContact CB-CH2 3.24Å; N357-W395 HydrophobicContact CB-CZ2 4.13Å; N357-W395 HydrophobicContact CB-CZ3 3.38Å; N357-E454 PolarHBondContact ND2-O 3.2Å; N357-E454 VanDerWaalsContact ND2-O 3.14Å; N357-G481 WeakPolarHBondContact OD1-CA 3.44Å; N357-V484 HydrophobicContact CB-CG2 4.19Å; N357-V484 WeakPolarHBondContact OD1-CG2 3.41Å
358	Y	94.9	Very high	87.9	Confident	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	138.3	177.9	-72.1	-95.3	0	0	0	111.6	H234 V240 T356 N391 G481 R482 M483 L485	H234-Y358 PolarHBondContact N-OH 2.87Å; H234-Y358 PolarHBondContact O-OH 3.18Å; V240-Y358 WeakPolarHBondContact CG1-OH 3.12Å; V240-Y358 HydrophobicContact CG2-CE1 4.37Å; V240-Y358 HydrophobicContact CG2-CE2 4.47Å; T356-Y358 HydrophobicContact CG2-CD2 4.09Å; T356-Y358 HydrophobicContact CG2-CE2 3.56Å; Y358-N391 WeakPolarHBondContact CA-O 3.49Å; Y358-G481 PolarHBondContact O-N 3.14Å; Y358-R482 PolarHBondContact O-N 2.98Å; Y358-R482 VanDerWaalsContact O-N 3.16Å; Y358-M483 HydrophobicContact CD1-CE 4.29Å; Y358-M483 HydrophobicContact CD2-CB 4.25Å; Y358-M483 HydrophobicContact CD2-CE 3.39Å; Y358-M483 HydrophobicContact CD2-CG 4.38Å; Y358-M483 HydrophobicContact CE1-CE 4.37Å; Y358-M483 HydrophobicContact CE2-CE 3.52Å; Y358-M483 HydrophobicContact CG-CE 3.79Å; Y358-M483 PolarHBondContact N-O 3.23Å; Y358-L485 HydrophobicContact CE2-CD1 3.86Å; Y358-L485 HydrophobicContact CE2-CG 4.13Å
359	Y	91.2	Very high	87.3	Confident	14 Å²	14	16.3 Å²	16.3	6%	0.055	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	55.5	54.6	-166.5	-61.8	-70.3	0	0	0	112	Y237 V389 W390 N391 H479 V480 G481 R482	Y237-Y359 HydrophobicContact CD1-CD2 4.44Å; Y237-Y359 AromaticContact CD1-CE2 3.28Å; Y237-Y359 HydrophobicContact CD1-CE2 3.28Å; Y237-Y359 AromaticContact CD1-CZ 3.62Å; Y237-Y359 WeakPolarHBondContact CD1-OH 3.49Å; Y237-Y359 HydrophobicContact CD2-CE2 4.38Å; Y237-Y359 AromaticContact CE1-CE2 3.91Å; Y237-Y359 HydrophobicContact CE1-CE2 3.91Å; Y237-Y359 VanDerWaalsContact CE1-OH 3.27Å; Y237-Y359 WeakPolarHBondContact CE1-OH 3.32Å; Y237-Y359 HydrophobicContact CG-CD2 4.38Å; Y237-Y359 AromaticContact CG-CE2 3.55Å; Y237-Y359 HydrophobicContact CG-CE2 3.55Å; Y359-V389 HydrophobicContact CD1-CG1 3.85Å; Y359-V389 HydrophobicContact CG-CG1 4.32Å; Y359-W390 CarbonylContact C-O 3.42Å; Y359-W390 VanDerWaalsContact CA-O 3.24Å; Y359-W390 WeakPolarHBondContact CA-O 3.21Å; Y359-N391 PolarHBondContact N-O 3.17Å; Y359-H479 WeakPolarHBondContact CB-O 3.48Å; Y359-H479 AromaticContact CD1-CE1 3.78Å; Y359-H479 AromaticContact CD1-NE2 3.61Å; Y359-H479 AromaticContact CE1-CE1 3.63Å; Y359-H479 AromaticContact CE1-NE2 3.78Å; Y359-H479 AromaticContact CZ-CE1 3.99Å; Y359-V480 CarbonylContact O-C 3.41Å; Y359-V480 VanDerWaalsContact O-CA 3.27Å; Y359-V480 WeakPolarHBondContact O-CA 3.28Å; Y359-V480 WeakPolarHBondContact O-CG1 3.41Å; Y359-G481 PolarHBondContact O-N 3.39Å; Y359-R482 HydrophobicContact CD2-CB 4.16Å; Y359-R482 HydrophobicContact CD2-CG 4.02Å
360	S	90.6	Very high	86.7	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	128.1	178.4	-154.7	0	0	0	0	109.9	N357 H362 W390	N357-S360 WeakPolarHBondContact ND2-CA 3.41Å; N357-S360 VanDerWaalsContact ND2-CB 3.32Å; N357-S360 WeakPolarHBondContact ND2-CB 3.32Å; N357-S360 PolarHBondContact ND2-OG 3.47Å; S360-H362 PolarHBondContact O-N 3.34Å; S360-W390 PolarHBondContact N-O 2.68Å; S360-W390 VanDerWaalsContact N-O 3.1Å; S360-W390 PolarHBondContact O-N 3.27Å
361	A	85.6	Confident	86.2	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	115.8	173.3	0	0	0	0	0	109.4	N364 E454 V480	A361-N364 PolarHBondContact O-ND2 2.77Å; A361-E454 PolarHBondContact N-O 3.12Å; A361-E454 VanDerWaalsContact N-O 3.13Å; A361-V480 HydrophobicContact CB-CG1 3.68Å; A361-V480 HydrophobicContact CB-CG2 4.01Å
362	H	74.7	Confident	85.6	Confident	12 Å²	12	18.9 Å²	18.9	6%	0.056	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	156.8	-178.9	-165.9	-75.6	0	0	0	109.8	S360 N364 S388 W390 Q420	S360-H362 PolarHBondContact O-N 3.34Å; H362-N364 VanDerWaalsContact C-N 3.33Å; H362-N364 PolarHBondContact O-N 3.38Å; H362-S388 PolarHBondContact N-O 2.94Å; H362-W390 HydrophobicContact CB-CD2 4.25Å; H362-W390 HydrophobicContact CB-CG 3.87Å; H362-W390 AromaticContact CD2-CD2 3.65Å; H362-W390 AromaticContact CD2-CE2 3.15Å; H362-W390 AromaticContact CD2-CH2 3.86Å; H362-W390 AromaticContact CD2-CZ2 3.29Å; H362-W390 WeakPolarHBondContact CD2-CZ2 3.25Å; H362-W390 AromaticContact CD2-NE1 3.42Å; H362-W390 PolarHBondContact CD2-NE1 3.45Å; H362-W390 AromaticContact CE1-CE2 3.95Å; H362-W390 AromaticContact CE1-CZ2 3.59Å; H362-W390 AromaticContact CG-CD1 3.65Å; H362-W390 AromaticContact CG-CE2 3.41Å; H362-W390 VanDerWaalsContact CG-CE2 3.41Å; H362-W390 AromaticContact CG-CZ2 3.84Å; H362-W390 AromaticContact CG-NE1 3.11Å; H362-W390 AromaticContact ND1-CE2 3.84Å; H362-W390 AromaticContact ND1-CZ2 3.94Å; H362-W390 AromaticContact ND1-NE1 3.5Å; H362-W390 PolarHBondContact ND1-NE1 2.6Å; H362-W390 AromaticContact NE2-CE2 3.52Å; H362-W390 AromaticContact NE2-CH2 3.57Å; H362-W390 AromaticContact NE2-CZ2 3.09Å; H362-W390 WeakPolarHBondContact NE2-CZ2 3.49Å; H362-W390 AromaticContact NE2-NE1 3.98Å; H362-Q420 PolarHBondContact CD2-OE1 3.14Å; H362-Q420 WeakPolarHBondContact NE2-CG 3.14Å; H362-Q420 PolarHBondContact NE2-OE1 3.25Å
363	D	64.4	Low	85.2	Confident	66 Å²	66	20 Å²	20	35%	0.353	11%	0.107	S	C	.	.	S	Bend	trans	55	39.4	-179.7	-52.8	-50.7	0	0	0	114
364	N	65.3	Low	84.8	Confident	6 Å²	6	19.7 Å²	19.7	3%	0.032	11%	0.106	C	C	.	.			trans	-95.7	9.2	-173.9	66.2	33.1	0	0	0	114.8	A361 H362 G366 N367 A453	A361-N364 PolarHBondContact O-ND2 2.77Å; H362-N364 VanDerWaalsContact C-N 3.33Å; H362-N364 PolarHBondContact O-N 3.38Å; N364-G366 PolarHBondContact O-N 2.8Å; N364-G366 VanDerWaalsContact OD1-CA 3.32Å; N364-G366 WeakPolarHBondContact OD1-CA 3.45Å; N364-G366 PolarHBondContact OD1-N 3.04Å; N364-N367 WeakPolarHBondContact O-CA 3.34Å; N364-N367 WeakPolarHBondContact O-CB 3.36Å; N364-N367 PolarHBondContact O-N 3.09Å; N364-A453 WeakPolarHBondContact ND2-CB 3.43Å
365	D	67.8	Low	84.2	Confident	145 Å²	145	21.7 Å²	21.7	78%	0.775	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	21.9	-175.1	-65.5	-38.3	0	0	0	114.2	N367	D365-N367 VanDerWaalsContact C-N 3.34Å
366	G	66.9	Low	83.3	Confident	16 Å²	16	23.9 Å²	23.9	17%	0.165	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	20.3	-172.9	0	0	0	0	0	114.2	N364	N364-G366 PolarHBondContact O-N 2.8Å; N364-G366 VanDerWaalsContact OD1-CA 3.32Å; N364-G366 WeakPolarHBondContact OD1-CA 3.45Å; N364-G366 PolarHBondContact OD1-N 3.04Å
367	N	75.8	Confident	82.2	Confident	28 Å²	28	28.2 Å²	28.2	15%	0.15	15%	0.151	C	C	.	.			trans	-105	150.6	-175.2	-158.4	18.9	0	0	0	112.6	N364 D365 K369 S457 K523	N364-N367 WeakPolarHBondContact O-CA 3.34Å; N364-N367 WeakPolarHBondContact O-CB 3.36Å; N364-N367 PolarHBondContact O-N 3.09Å; D365-N367 VanDerWaalsContact C-N 3.34Å; N367-K369 PolarHBondContact O-N 2.88Å; N367-K369 VanDerWaalsContact O-N 3.11Å; N367-S457 PolarHBondContact O-OG 3.1Å; N367-K523 VanDerWaalsContact OD1-CA 3.3Å; N367-K523 WeakPolarHBondContact OD1-CA 3.27Å; N367-K523 WeakPolarHBondContact OD1-CB 3.39Å; N367-K523 PolarHBondContact OD1-N 2.98Å; N367-K523 PolarHBondContact OD1-O 2.88Å; N367-K523 VanDerWaalsContact OD1-O 3.05Å
368	L	82.9	Confident	81.3	Confident	2 Å²	2	28.2 Å²	28.2	1%	0.01	15%	0.151	C	C	.	.	S	Bend	trans	-83.9	24	-175	-74.4	173.8	0	0	0	114.5	F452 N456 D458 L514 A517 C522	L368-F452 HydrophobicContact CD1-CE1 3.95Å; L368-F452 HydrophobicContact CD2-CD1 3.69Å; L368-F452 HydrophobicContact CD2-CE1 3.61Å; L368-F452 HydrophobicContact CG-CD1 4.48Å; L368-F452 HydrophobicContact CG-CE1 4.31Å; L368-N456 HydrophobicContact CD2-CB 4.08Å; L368-D458 PolarHBondContact O-N 3.26Å; L368-L514 HydrophobicContact CD1-CD2 4.2Å; L368-A517 HydrophobicContact CD1-CB 3.91Å; L368-C522 HydrophobicContact CB-CB 4.48Å; L368-C522 HydrophobicContact CD1-CB 3.56Å; L368-C522 HydrophobicContact CG-CB 3.76Å
369	K	86.1	Confident	80.7	Confident	41 Å²	41	32.8 Å²	32.8	18%	0.178	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	145.2	178.9	65.8	179.4	-158	105.1	0	111.4	N367 D371 D458 V460 Y462	N367-K369 PolarHBondContact O-N 2.88Å; N367-K369 VanDerWaalsContact O-N 3.11Å; K369-D371 IonicContact NZ-OD1 3.67Å; K369-D371 PolarHBondContact NZ-OD1 2.97Å; K369-D371 IonicContact NZ-OD2 3.09Å; K369-D371 PolarHBondContact NZ-OD2 3.04Å; K369-D458 CarbonylContact C-O 3.53Å; K369-D458 WeakPolarHBondContact CA-O 3.21Å; K369-V460 HydrophobicContact CB-CG2 4.04Å; K369-Y462 PolarHBondContact NZ-OH 2.99Å
370	L	86	Confident	80.4	Confident	2 Å²	2	33.3 Å²	33.3	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	124.5	174	-172.4	142.9	0	0	0	109	I372 D387 V389 D458 V459 V460	L370-I372 HydrophobicContact CD2-CD1 4.49Å; L370-I372 HydrophobicContact CD2-CG1 3.98Å; L370-D387 HydrophobicContact CD1-CB 3.87Å; L370-D387 HydrophobicContact CD2-CB 4.01Å; L370-D387 HydrophobicContact CG-CB 3.47Å; L370-D387 VanDerWaalsContact CG-CB 3.47Å; L370-V389 HydrophobicContact CD1-CG2 3.6Å; L370-V389 HydrophobicContact CD2-CG2 4.18Å; L370-V389 HydrophobicContact CG-CG2 4.47Å; L370-D458 PolarHBondContact N-O 3.44Å; L370-V459 HydrophobicContact CB-CG2 4.47Å; L370-V459 HydrophobicContact CD2-CG1 4.15Å; L370-V460 PolarHBondContact O-N 2.82Å
371	D	87.9	Confident	80.2	Confident	42 Å²	42	35 Å²	35	23%	0.225	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	114.7	-169.5	-65.2	-11.4	0	0	0	111.6	K369 D387 Y462	K369-D371 IonicContact NZ-OD1 3.67Å; K369-D371 PolarHBondContact NZ-OD1 2.97Å; K369-D371 IonicContact NZ-OD2 3.09Å; K369-D371 PolarHBondContact NZ-OD2 3.04Å; D371-D387 PolarHBondContact N-OD2 2.96Å; D371-Y462 HydrophobicContact CB-CD2 4.27Å; D371-Y462 HydrophobicContact CB-CE2 4.09Å; D371-Y462 WeakPolarHBondContact OD1-CE2 3.28Å
372	I	87.4	Confident	80	Confident	11 Å²	11	39.4 Å²	39.4	6%	0.056	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	117.7	168.9	-60.6	-178.8	0	0	0	109.3	L370 L374 I380 V459 V460 F461 Y462 M638	L370-I372 HydrophobicContact CD2-CD1 4.49Å; L370-I372 HydrophobicContact CD2-CG1 3.98Å; I372-L374 HydrophobicContact CG2-CD2 4.16Å; I372-I380 HydrophobicContact CG2-CD1 4.19Å; I372-I380 HydrophobicContact CG2-CG1 4.14Å; I372-V459 HydrophobicContact CD1-CG1 3.4Å; I372-V459 VanDerWaalsContact CD1-CG1 3.4Å; I372-V459 HydrophobicContact CG1-CG1 3.92Å; I372-V460 PolarHBondContact N-O 3.11Å; I372-F461 HydrophobicContact CB-CD1 3.9Å; I372-F461 HydrophobicContact CB-CE1 4.07Å; I372-F461 HydrophobicContact CB-CG 4.33Å; I372-F461 HydrophobicContact CD1-CD1 4.4Å; I372-F461 HydrophobicContact CD1-CE1 3.73Å; I372-F461 HydrophobicContact CD1-CE2 4.22Å; I372-F461 HydrophobicContact CD1-CZ 3.62Å; I372-F461 HydrophobicContact CG1-CE1 4.48Å; I372-F461 HydrophobicContact CG2-CD1 3.7Å; I372-F461 HydrophobicContact CG2-CE1 3.76Å; I372-F461 CarbonylContact O-C 3.49Å; I372-F461 WeakPolarHBondContact O-CA 3.4Å; I372-Y462 PolarHBondContact O-N 2.87Å; I372-M638 HydrophobicContact CD1-SD 4.13Å
373	I	89.9	Confident	80.5	Confident	22 Å²	22	45.3 Å²	45.3	11%	0.113	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	125.7	-177.1	-61.8	172.9	0	0	0	109.5	D381 R384 T385 R464 M470	I373-D381 HydrophobicContact CG2-CB 4.12Å; I373-D381 PolarHBondContact O-N 3.09Å; I373-R384 HydrophobicContact CB-CB 4.2Å; I373-R384 HydrophobicContact CD1-CB 3.63Å; I373-R384 HydrophobicContact CG1-CB 4.5Å; I373-R384 HydrophobicContact CG2-CB 4.09Å; I373-T385 PolarHBondContact N-OG1 2.53Å; I373-T385 PolarHBondContact O-OG1 3.09Å; I373-R464 HydrophobicContact CG2-CB 4.21Å; I373-M470 HydrophobicContact CD1-CE 3.82Å; I373-M470 HydrophobicContact CG1-CE 4.18Å; I373-M470 HydrophobicContact CG2-CE 3.74Å; I373-M470 HydrophobicContact CG2-SD 4.22Å
374	L	89.6	Confident	81.6	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	149.6	174.6	-50	-178.6	0	0	0	110.2	I372 R379 I380 F461 Y462 R464 V473 T625 I634	I372-L374 HydrophobicContact CG2-CD2 4.16Å; L374-R379 CarbonylContact C-O 3.59Å; L374-R379 VanDerWaalsContact CA-O 3.23Å; L374-R379 WeakPolarHBondContact CA-O 3.45Å; L374-I380 HydrophobicContact CD2-CB 4.3Å; L374-I380 HydrophobicContact CD2-CG1 3.53Å; L374-F461 HydrophobicContact CD1-CB 4.44Å; L374-F461 HydrophobicContact CD1-CD1 4.26Å; L374-F461 HydrophobicContact CD2-CD1 4.27Å; L374-F461 HydrophobicContact CG-CD1 4.42Å; L374-Y462 WeakPolarHBondContact CB-O 3.18Å; L374-Y462 PolarHBondContact N-O 3.02Å; L374-R464 WeakPolarHBondContact O-CB 2.93Å; L374-R464 PolarHBondContact O-N 3.2Å; L374-V473 HydrophobicContact CD1-CG2 4.14Å; L374-T625 HydrophobicContact CD2-CG2 4.39Å; L374-I634 HydrophobicContact CD1-CG2 3.92Å
375	D	86	Confident	82.4	Confident	48 Å²	48	48.6 Å²	48.6	26%	0.257	24%	0.24	S	C	.	.			trans	-75.6	178.3	166.4	74.8	12.9	0	0	0	112.1	N377 G378 R379 S463	D375-N377 PolarHBondContact O-N 3.06Å; D375-N377 VanDerWaalsContact O-N 3.12Å; D375-N377 WeakPolarHBondContact OD1-CA 3.19Å; D375-N377 PolarHBondContact OD1-N 3.04Å; D375-G378 PolarHBondContact O-N 2.98Å; D375-G378 PolarHBondContact OD1-N 2.71Å; D375-R379 PolarHBondContact N-O 3.24Å; D375-R379 PolarHBondContact OD1-N 2.5Å; D375-S463 PolarHBondContact O-OG 2.92Å
376	D	80.4	Confident	83	Confident	46 Å²	46	49 Å²	49	25%	0.246	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-23.9	179.9	-94.8	-34.6	0	0	0	114.6	R464 K465 K466	D376-R464 PolarHBondContact N-O 3.21Å; D376-K465 VanDerWaalsContact OD1-CA 3.23Å; D376-K465 WeakPolarHBondContact OD1-CA 3.43Å; D376-K466 WeakPolarHBondContact OD2-CG 3.46Å; D376-K466 PolarHBondContact OD2-N 2.89Å
377	N	75.8	Confident	83.5	Confident	92 Å²	92	50.1 Å²	50.1	49%	0.492	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-5.6	179.9	-52	-49.2	0	0	0	111.9	D375 Y568	D375-N377 PolarHBondContact O-N 3.06Å; D375-N377 VanDerWaalsContact O-N 3.12Å; D375-N377 WeakPolarHBondContact OD1-CA 3.19Å; D375-N377 PolarHBondContact OD1-N 3.04Å; N377-Y568 HydrophobicContact CB-CE2 4.07Å; N377-Y568 WeakPolarHBondContact CB-OH 3.38Å; N377-Y568 VanDerWaalsContact O-CE2 3.25Å; N377-Y568 WeakPolarHBondContact O-CE2 2.84Å
378	G	78.1	Confident	83.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	91.6	10.7	-179.5	0	0	0	0	0	114.3	D375 T625	D375-G378 PolarHBondContact O-N 2.98Å; D375-G378 PolarHBondContact OD1-N 2.71Å; G378-T625 WeakPolarHBondContact O-CB 3.34Å; G378-T625 PolarHBondContact O-OG1 2.83Å
379	R	83.1	Confident	83.3	Confident	95 Å²	95	50.9 Å²	50.9	36%	0.358	24%	0.243	S	C	.	.			trans	-80.5	140.8	172.6	-178.5	-174.1	-178.9	179.3	4.9	109.7	L374 D375 D381 Y568	L374-R379 CarbonylContact C-O 3.59Å; L374-R379 VanDerWaalsContact CA-O 3.23Å; L374-R379 WeakPolarHBondContact CA-O 3.45Å; D375-R379 PolarHBondContact N-O 3.24Å; D375-R379 PolarHBondContact OD1-N 2.5Å; R379-D381 PolarHBondContact O-N 2.85Å; R379-Y568 HydrophobicContact CB-CD1 4.21Å; R379-Y568 HydrophobicContact CB-CD2 4.41Å; R379-Y568 HydrophobicContact CB-CE1 4.44Å; R379-Y568 HydrophobicContact CB-CG 4.21Å; R379-Y568 HydrophobicContact CG-CD1 4.45Å
380	I	84.1	Confident	83.2	Confident	26 Å²	26	49.5 Å²	49.5	13%	0.133	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-61.1	125.6	174.6	-64.6	177.8	0	0	0	110.9	I372 L374 R382 I623 T625	I372-I380 HydrophobicContact CG2-CD1 4.19Å; I372-I380 HydrophobicContact CG2-CG1 4.14Å; L374-I380 HydrophobicContact CD2-CB 4.3Å; L374-I380 HydrophobicContact CD2-CG1 3.53Å; I380-R382 HydrophobicContact CG2-CG 4.25Å; I380-R382 PolarHBondContact O-N 3.42Å; I380-I623 HydrophobicContact CD1-CB 4.45Å; I380-I623 HydrophobicContact CD1-CD1 3.68Å; I380-I623 HydrophobicContact CD1-CG2 3.44Å; I380-I623 VanDerWaalsContact CD1-CG2 3.44Å; I380-I623 HydrophobicContact CG1-CG2 4.39Å; I380-T625 HydrophobicContact CG1-CG2 4.32Å
381	D	86.9	Confident	83.2	Confident	35 Å²	35	49.6 Å²	49.6	19%	0.187	24%	0.237	C	C	.	.			trans	-84	92.7	168.3	-172.8	-15	0	0	0	109.2	I373 R379 N383 R384 T385	I373-D381 HydrophobicContact CG2-CB 4.12Å; I373-D381 PolarHBondContact O-N 3.09Å; R379-D381 PolarHBondContact O-N 2.85Å; D381-N383 PolarHBondContact O-N 2.77Å; D381-N383 WeakPolarHBondContact OD1-CB 3.21Å; D381-N383 PolarHBondContact OD1-N 2.64Å; D381-R384 HydrophobicContact CB-CB 4.46Å; D381-R384 PolarHBondContact O-N 3.02Å; D381-R384 PolarHBondContact OD1-N 3.44Å; D381-R384 WeakPolarHBondContact OD2-CD 3.22Å; D381-R384 WeakPolarHBondContact OD2-CG 3.47Å; D381-R384 IonicContact OD2-NE 2.68Å; D381-R384 PolarHBondContact OD2-NE 3.22Å; D381-T385 WeakPolarHBondContact O-CB 3.09Å; D381-T385 PolarHBondContact O-N 2.94Å; D381-T385 PolarHBondContact O-OG1 2.84Å
382	R	81.5	Confident	83.5	Confident	93 Å²	93	47.7 Å²	47.7	35%	0.351	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-20	179.3	-62.3	-178.1	-178.2	-135.5	9.3	113.4	I380 R384 S572 S580 E583	I380-R382 HydrophobicContact CG2-CG 4.25Å; I380-R382 PolarHBondContact O-N 3.42Å; R382-R384 VanDerWaalsContact C-N 3.3Å; R382-S572 PolarHBondContact NH2-OG 2.9Å; R382-S580 VanDerWaalsContact NH1-CB 3.25Å; R382-S580 PolarHBondContact NH1-OG 2.78Å; R382-E583 IonicContact CZ-OE1 2.72Å; R382-E583 IonicContact NH2-OE1 3.69Å; R382-E583 PolarHBondContact NH2-OE1 2.89Å
383	N	84.3	Confident	83.9	Confident	136 Å²	136	47.1 Å²	47.1	73%	0.727	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-27.3	178.1	-67.4	-36.2	0	0	0	111.4	D381 K386	D381-N383 PolarHBondContact O-N 2.77Å; D381-N383 WeakPolarHBondContact OD1-CB 3.21Å; D381-N383 PolarHBondContact OD1-N 2.64Å; N383-K386 VanDerWaalsContact O-CE 3.29Å; N383-K386 WeakPolarHBondContact O-CE 3.29Å; N383-K386 PolarHBondContact O-NZ 2.91Å
384	R	86.8	Confident	84.3	Confident	113 Å²	113	46.1 Å²	46.1	43%	0.426	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	-30	-175.6	-63.2	-174.8	177.9	-94.9	-8.9	113.9	I373 D381 R382 K386	I373-R384 HydrophobicContact CB-CB 4.2Å; I373-R384 HydrophobicContact CD1-CB 3.63Å; I373-R384 HydrophobicContact CG1-CB 4.5Å; I373-R384 HydrophobicContact CG2-CB 4.09Å; D381-R384 HydrophobicContact CB-CB 4.46Å; D381-R384 PolarHBondContact O-N 3.02Å; D381-R384 PolarHBondContact OD1-N 3.44Å; D381-R384 WeakPolarHBondContact OD2-CD 3.22Å; D381-R384 WeakPolarHBondContact OD2-CG 3.47Å; D381-R384 IonicContact OD2-NE 2.68Å; D381-R384 PolarHBondContact OD2-NE 3.22Å; R382-R384 VanDerWaalsContact C-N 3.3Å; R384-K386 PolarHBondContact O-N 2.92Å
385	T	83.9	Confident	84.7	Confident	28 Å²	28	46.1 Å²	46.1	17%	0.172	22%	0.219	C	C	.	.			trans	-70.1	111.2	172.7	-54.2	0	0	0	0	108.4	I373 D381	I373-T385 PolarHBondContact N-OG1 2.53Å; I373-T385 PolarHBondContact O-OG1 3.09Å; D381-T385 WeakPolarHBondContact O-CB 3.09Å; D381-T385 PolarHBondContact O-N 2.94Å; D381-T385 PolarHBondContact O-OG1 2.84Å
386	K	79.3	Confident	85.3	Confident	152 Å²	152	43.8 Å²	43.8	66%	0.661	21%	0.207	S	C	*	.			trans	-106.8	-39.9	-177.7	-65.3	-54.3	-179.9	-167	0	112.4	N383 R384	N383-K386 VanDerWaalsContact O-CE 3.29Å; N383-K386 WeakPolarHBondContact O-CE 3.29Å; N383-K386 PolarHBondContact O-NZ 2.91Å; R384-K386 PolarHBondContact O-N 2.92Å
387	D	77.1	Confident	86.2	Confident	41 Å²	41	41.6 Å²	41.6	22%	0.219	20%	0.195	C	C	.	.			trans	-66	148.8	178.6	-44.5	-6.2	0	0	0	110.7	L370 D371	L370-D387 HydrophobicContact CD1-CB 3.87Å; L370-D387 HydrophobicContact CD2-CB 4.01Å; L370-D387 HydrophobicContact CG-CB 3.47Å; L370-D387 VanDerWaalsContact CG-CB 3.47Å; D371-D387 PolarHBondContact N-OD2 2.96Å
388	S	73.4	Confident	87.2	Confident	17 Å²	17	37.2 Å²	37.2	12%	0.119	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	140.2	179.9	65.5	0	0	0	0	111.3	H362 T577	H362-S388 PolarHBondContact N-O 2.94Å; S388-T577 PolarHBondContact OG-O 3.36Å
389	V	80.9	Confident	88.2	Confident	28 Å²	28	39.8 Å²	39.8	17%	0.17	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	115.8	169	-178.9	0	0	0	0	106.7	Y359 L370 V459	Y359-V389 HydrophobicContact CD1-CG1 3.85Å; Y359-V389 HydrophobicContact CG-CG1 4.32Å; L370-V389 HydrophobicContact CD1-CG2 3.6Å; L370-V389 HydrophobicContact CD2-CG2 4.18Å; L370-V389 HydrophobicContact CG-CG2 4.47Å; V389-V459 HydrophobicContact CG2-CG2 4.19Å
390	W	84	Confident	89	Confident	13 Å²	13	35.3 Å²	35.3	5%	0.049	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	138.6	174.8	-75.2	34.3	0	0	0	108.9	W299 C334 Y359 S360 H362 Y392 H393 Y576 T577	W299-W390 HydrophobicContact CZ2-CH2 4.08Å; W299-W390 AromaticContact NE1-CH2 3.97Å; C334-W390 HydrophobicContact CB-CZ3 4.38Å; Y359-W390 CarbonylContact C-O 3.42Å; Y359-W390 VanDerWaalsContact CA-O 3.24Å; Y359-W390 WeakPolarHBondContact CA-O 3.21Å; S360-W390 PolarHBondContact N-O 2.68Å; S360-W390 VanDerWaalsContact N-O 3.1Å; S360-W390 PolarHBondContact O-N 3.27Å; H362-W390 HydrophobicContact CB-CD2 4.25Å; H362-W390 HydrophobicContact CB-CG 3.87Å; H362-W390 AromaticContact CD2-CD2 3.65Å; H362-W390 AromaticContact CD2-CE2 3.15Å; H362-W390 AromaticContact CD2-CH2 3.86Å; H362-W390 AromaticContact CD2-CZ2 3.29Å; H362-W390 WeakPolarHBondContact CD2-CZ2 3.25Å; H362-W390 AromaticContact CD2-NE1 3.42Å; H362-W390 PolarHBondContact CD2-NE1 3.45Å; H362-W390 AromaticContact CE1-CE2 3.95Å; H362-W390 AromaticContact CE1-CZ2 3.59Å; H362-W390 AromaticContact CG-CD1 3.65Å; H362-W390 AromaticContact CG-CE2 3.41Å; H362-W390 VanDerWaalsContact CG-CE2 3.41Å; H362-W390 AromaticContact CG-CZ2 3.84Å; H362-W390 AromaticContact CG-NE1 3.11Å; H362-W390 AromaticContact ND1-CE2 3.84Å; H362-W390 AromaticContact ND1-CZ2 3.94Å; H362-W390 AromaticContact ND1-NE1 3.5Å; H362-W390 PolarHBondContact ND1-NE1 2.6Å; H362-W390 AromaticContact NE2-CE2 3.52Å; H362-W390 AromaticContact NE2-CH2 3.57Å; H362-W390 AromaticContact NE2-CZ2 3.09Å; H362-W390 WeakPolarHBondContact NE2-CZ2 3.49Å; H362-W390 AromaticContact NE2-NE1 3.98Å; W390-Y392 PolarHBondContact O-N 2.84Å; W390-H393 HydrophobicContact CE3-CB 4.29Å; W390-H393 AromaticContact CE3-ND1 3.98Å; W390-H393 AromaticContact CZ3-ND1 3.85Å; W390-Y576 HydrophobicContact CE3-CD2 4.25Å; W390-Y576 AromaticContact CE3-CE2 3.57Å; W390-Y576 HydrophobicContact CE3-CE2 3.57Å; W390-Y576 AromaticContact CZ3-CE2 3.54Å; W390-Y576 HydrophobicContact CZ3-CE2 3.54Å; W390-Y576 AromaticContact CZ3-CZ 3.71Å; W390-Y576 WeakPolarHBondContact CZ3-OH 3.29Å; W390-T577 HydrophobicContact CD2-CG2 3.8Å; W390-T577 VanDerWaalsContact CE2-CB 3.4Å; W390-T577 VanDerWaalsContact CE2-CG2 3.49Å; W390-T577 HydrophobicContact CE3-CG2 3.89Å; W390-T577 HydrophobicContact CH2-CG2 3.46Å; W390-T577 VanDerWaalsContact CH2-CG2 3.46Å; W390-T577 HydrophobicContact CZ2-CG2 3.32Å; W390-T577 HydrophobicContact CZ3-CG2 3.74Å; W390-T577 PolarHBondContact NE1-O 3.34Å
391	N	86.7	Confident	89.6	Confident	4 Å²	4	37.3 Å²	37.3	2%	0.021	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	-43.8	178.5	-171.8	22.2	0	0	0	110.2	G235 Y358 Y359 Y576	G235-N391 PolarHBondContact O-ND2 3.27Å; Y358-N391 WeakPolarHBondContact CA-O 3.49Å; Y359-N391 PolarHBondContact N-O 3.17Å; N391-Y576 WeakPolarHBondContact CB-O 3.37Å; N391-Y576 PolarHBondContact N-O 2.96Å
392	Y	93.8	Very high	90.2	Very high	1 Å²	1	36.1 Å²	36.1	0%	0.004	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	159.7	164.4	69.9	-86.4	0	0	0	110.7	H234 W335 T356 N357 W390 Y576 Q617	H234-Y392 HydrophobicContact CB-CD1 4.15Å; H234-Y392 HydrophobicContact CB-CD2 4.39Å; H234-Y392 HydrophobicContact CB-CE1 3.62Å; H234-Y392 HydrophobicContact CB-CE2 3.89Å; H234-Y392 VanDerWaalsContact CB-CZ 3.46Å; W335-Y392 HydrophobicContact CE3-CE2 4.34Å; T356-Y392 HydrophobicContact CG2-CD2 3.95Å; T356-Y392 HydrophobicContact CG2-CG 4.18Å; N357-Y392 CarbonylContact O-C 3.53Å; N357-Y392 WeakPolarHBondContact O-CA 3.27Å; W390-Y392 PolarHBondContact O-N 2.84Å; Y392-Y576 HydrophobicContact CD1-CD2 4.37Å; Y392-Y576 AromaticContact CE1-CD2 3.89Å; Y392-Y576 HydrophobicContact CE1-CD2 3.89Å; Y392-Y576 HydrophobicContact CE1-CG 4.22Å; Y392-Y576 HydrophobicContact CE2-CD2 4.16Å; Y392-Y576 HydrophobicContact CE2-CE2 4.4Å; Y392-Y576 AromaticContact CZ-CD2 3.78Å; Y392-Q617 VanDerWaalsContact CE1-OE1 3.31Å; Y392-Q617 PolarHBondContact OH-NE2 2.91Å; Y392-Q617 PolarHBondContact OH-OE1 2.89Å
393	H	95.7	Very high	90.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	147.9	170.5	-177.6	44.1	0	0	0	110.4	C334 T356 N357 W390 W395 D416 Q420 E454	C334-H393 VanDerWaalsContact CB-CE1 3.47Å; C334-H393 WeakPolarHBondContact CB-CE1 3.38Å; C334-H393 VanDerWaalsContact CB-ND1 3.28Å; C334-H393 WeakPolarHBondContact CB-ND1 3.3Å; T356-H393 CarbonylContact C-O 3.57Å; T356-H393 WeakPolarHBondContact CA-O 3.24Å; N357-H393 PolarHBondContact N-O 3Å; N357-H393 PolarHBondContact O-N 2.89Å; W390-H393 HydrophobicContact CE3-CB 4.29Å; W390-H393 AromaticContact CE3-ND1 3.98Å; W390-H393 AromaticContact CZ3-ND1 3.85Å; H393-W395 AromaticContact CD2-CE3 3.55Å; H393-W395 AromaticContact CD2-CZ3 3.93Å; H393-D416 IonicContact CD2-OD2 3.13Å; H393-D416 IonicContact CE1-OD2 3.92Å; H393-D416 PolarHBondContact CE1-OD2 2.8Å; H393-D416 IonicContact NE2-OD1 2.67Å; H393-D416 IonicContact NE2-OD2 2.71Å; H393-D416 PolarHBondContact NE2-OD2 3.45Å; H393-Q420 PolarHBondContact CD2-NE2 2.82Å; H393-Q420 PolarHBondContact CE1-NE2 2.85Å; H393-Q420 PolarHBondContact NE2-NE2 2.78Å; H393-E454 IonicContact CD2-OE1 3.31Å; H393-E454 IonicContact CD2-OE2 2.75Å
394	C	97.9	Very high	91.6	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	132.6	-177.4	-63.4	0	0	0	0	111.5	C334 W335 A338 V355 T356	C334-C394 HydrophobicContact CB-CB 4.4Å; W335-C394 HydrophobicContact CB-CB 4.31Å; A338-C394 HydrophobicContact CB-CB 4.13Å; V355-C394 WeakPolarHBondContact O-CA 3.44Å; T356-C394 PolarHBondContact OG1-SG 3.43Å
395	W	98.4	Very high	92.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	-172.6	172.8	62.5	77.5	0	0	0	111.1	V355 N357 H393 V414 D416 E454 V455 Y501	V355-W395 HydrophobicContact CG1-CZ2 4.08Å; V355-W395 PolarHBondContact N-O 2.89Å; V355-W395 PolarHBondContact O-N 3.39Å; N357-W395 HydrophobicContact CB-CE3 4.4Å; N357-W395 HydrophobicContact CB-CH2 3.24Å; N357-W395 HydrophobicContact CB-CZ2 4.13Å; N357-W395 HydrophobicContact CB-CZ3 3.38Å; H393-W395 AromaticContact CD2-CE3 3.55Å; H393-W395 AromaticContact CD2-CZ3 3.93Å; W395-V414 HydrophobicContact CD2-CG1 4.39Å; W395-V414 HydrophobicContact CG-CG1 4.06Å; W395-D416 HydrophobicContact CB-CB 3.88Å; W395-E454 WeakPolarHBondContact CZ3-OE2 3.46Å; W395-V455 HydrophobicContact CH2-CG1 3.99Å; W395-Y501 HydrophobicContact CZ2-CD1 4.45Å; W395-Y501 AromaticContact CZ2-CE1 3.59Å; W395-Y501 HydrophobicContact CZ2-CE1 3.59Å; W395-Y501 AromaticContact CZ2-CZ 3.8Å; W395-Y501 AromaticContact NE1-CZ 3.93Å; W395-Y501 PolarHBondContact NE1-OH 3.4Å
396	N	98.8	Very high	92.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	144.5	176.3	-64.4	95.3	0	0	0	112.2	A338 F341 N342 L345 R353 V414 V415	A338-N396 WeakPolarHBondContact CA-OD1 3.45Å; A338-N396 PolarHBondContact O-ND2 2.68Å; A338-N396 PolarHBondContact O-OD1 3.23Å; F341-N396 HydrophobicContact CD1-CB 4.02Å; F341-N396 VanDerWaalsContact CD1-OD1 3.25Å; F341-N396 WeakPolarHBondContact CD1-OD1 3.36Å; F341-N396 HydrophobicContact CE1-CB 4.34Å; N342-N396 WeakPolarHBondContact CB-ND2 3.32Å; L345-N396 HydrophobicContact CD1-CB 4.49Å; R353-N396 WeakPolarHBondContact O-CA 3.3Å; N396-V414 WeakPolarHBondContact O-CA 3.47Å; N396-V415 PolarHBondContact N-O 3.23Å; N396-V415 PolarHBondContact O-N 2.51Å
397	E	98.8	Very high	93.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	134.7	156.4	-74.6	178.9	-172.5	0	0	109.8	S352 R353 V355 W412 Q413 V434 Y501	S352-E397 CarbonylContact C-O 3.55Å; S352-E397 WeakPolarHBondContact CA-O 3.15Å; S352-E397 WeakPolarHBondContact CB-O 3.33Å; R353-E397 HydrophobicContact CG-CB 4Å; R353-E397 IonicContact CZ-OE2 3.43Å; R353-E397 PolarHBondContact N-O 2.92Å; R353-E397 IonicContact NE-OE2 2.77Å; R353-E397 PolarHBondContact NE-OE2 3.29Å; R353-E397 IonicContact NH2-OE1 3.58Å; R353-E397 IonicContact NH2-OE2 3.87Å; R353-E397 PolarHBondContact NH2-OE2 2.77Å; R353-E397 PolarHBondContact O-N 3.37Å; V355-E397 HydrophobicContact CG2-CB 4.31Å; V355-E397 HydrophobicContact CG2-CG 3.82Å; E397-W412 HydrophobicContact CB-CB 4.38Å; E397-W412 HydrophobicContact CB-CD2 4.34Å; E397-W412 HydrophobicContact CB-CE3 3.73Å; E397-W412 HydrophobicContact CB-CZ3 4.42Å; E397-W412 HydrophobicContact CG-CB 4.48Å; E397-Q413 CarbonylContact C-O 3.58Å; E397-Q413 VanDerWaalsContact CA-O 3.24Å; E397-Q413 WeakPolarHBondContact CA-O 3.48Å; E397-V434 HydrophobicContact CG-CG2 4.23Å; E397-Y501 WeakPolarHBondContact OE1-CE2 3.49Å; E397-Y501 PolarHBondContact OE1-OH 3.24Å
398	C	98.3	Very high	94.2	Very high	0 Å²	0	32 Å²	32	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	138.5	173.6	52.9	0	0	0	0	110.9	L345 I350 P351 M400 Q413 V415	L345-C398 HydrophobicContact CD1-CB 4.16Å; I350-C398 HydrophobicContact CG2-CB 4.04Å; P351-C398 CarbonylContact O-C 3.37Å; P351-C398 WeakPolarHBondContact O-CA 3.29Å; C398-M400 HydrophobicContact CB-CE 3.9Å; C398-M400 WeakPolarHBondContact SG-CE 3.16Å; C398-Q413 PolarHBondContact N-O 2.62Å; C398-Q413 PolarHBondContact O-N 3.33Å; C398-V415 WeakPolarHBondContact SG-CG2 3.49Å
399	Y	98.8	Very high	95.4	Very high	54 Å²	54	32.5 Å²	32.5	21%	0.212	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	120.3	-175.9	-163.7	-82.4	0	0	0	110.8	F214 L215 P351 W412	F214-Y399 WeakPolarHBondContact O-CE1 3.44Å; L215-Y399 HydrophobicContact CB-CD1 4.32Å; L215-Y399 HydrophobicContact CB-CE1 4.5Å; L215-Y399 HydrophobicContact CD1-CD1 4.03Å; L215-Y399 HydrophobicContact CD1-CD2 3.66Å; L215-Y399 HydrophobicContact CD1-CE1 3.92Å; L215-Y399 HydrophobicContact CD1-CE2 3.48Å; L215-Y399 VanDerWaalsContact CD1-CE2 3.48Å; L215-Y399 HydrophobicContact CD1-CG 3.9Å; P351-Y399 PolarHBondContact O-N 2.98Å; Y399-W412 AromaticContact CD2-CD2 3.89Å; Y399-W412 HydrophobicContact CD2-CD2 3.89Å; Y399-W412 AromaticContact CD2-CE2 3.81Å; Y399-W412 HydrophobicContact CD2-CE3 4.28Å; Y399-W412 HydrophobicContact CD2-CG 4.23Å; Y399-W412 HydrophobicContact CD2-CZ2 4.16Å
400	M	98.8	Very high	96.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	161.1	175.2	65	-167.4	70.4	0	0	112.6	A212 V213 P275 I276 T279 I350 C398 G410 G411 Q413	A212-M400 CarbonylContact O-C 3.55Å; A212-M400 VanDerWaalsContact O-CA 3.29Å; A212-M400 WeakPolarHBondContact O-CA 3.33Å; V213-M400 HydrophobicContact CG1-CB 4.3Å; P275-M400 HydrophobicContact CB-CB 4.33Å; P275-M400 HydrophobicContact CB-CE 4.19Å; P275-M400 HydrophobicContact CB-SD 4.09Å; P275-M400 HydrophobicContact CG-CB 4.11Å; P275-M400 HydrophobicContact CG-SD 4.32Å; I276-M400 HydrophobicContact CB-SD 4.49Å; I276-M400 HydrophobicContact CG1-SD 3.77Å; T279-M400 HydrophobicContact CG2-CE 3.65Å; I350-M400 HydrophobicContact CG2-CE 4.41Å; C398-M400 HydrophobicContact CB-CE 3.9Å; C398-M400 WeakPolarHBondContact SG-CE 3.16Å; M400-G410 CarbonylContact O-C 3.5Å; M400-G410 WeakPolarHBondContact O-CA 3.5Å; M400-G411 PolarHBondContact N-O 3.18Å; M400-G411 PolarHBondContact O-N 2.9Å; M400-G411 VanDerWaalsContact O-O 3.14Å; M400-Q413 HydrophobicContact CG-CG 3.66Å; M400-Q413 HydrophobicContact SD-CG 4.2Å
401	T	98.5	Very high	96.8	Very high	69 Å²	69	32.6 Å²	32.6	42%	0.423	21%	0.209	S	C	.	.			trans	-71	155.8	164.3	60.2	0	0	0	0	111.2	A212	A212-T401 WeakPolarHBondContact CA-OG1 3.37Å; A212-T401 WeakPolarHBondContact CB-OG1 3.24Å; A212-T401 PolarHBondContact O-N 2.83Å; A212-T401 PolarHBondContact O-OG1 3.17Å
402	R	98.3	Very high	97.4	Very high	10 Å²	10	34 Å²	34	4%	0.038	21%	0.214	C	C	.	.			trans	-125.3	70.7	178.5	-71.3	-63.4	-57.9	-85.7	3.3	111.1	D404 L405 F409 Q413 P431 P445	R402-D404 WeakPolarHBondContact CA-OD1 3.21Å; R402-D404 IonicContact CZ-OD1 2.73Å; R402-D404 IonicContact CZ-OD2 3.6Å; R402-D404 IonicContact NE-OD1 3.12Å; R402-D404 PolarHBondContact NE-OD1 2.8Å; R402-D404 IonicContact NE-OD2 2.73Å; R402-D404 PolarHBondContact NE-OD2 3.47Å; R402-D404 IonicContact NH2-OD1 3Å; R402-D404 IonicContact NH2-OD2 3.62Å; R402-D404 PolarHBondContact NH2-OD2 3.14Å; R402-D404 PolarHBondContact O-N 3.32Å; R402-D404 VanDerWaalsContact O-N 3.17Å; R402-L405 HydrophobicContact CB-CB 4.04Å; R402-L405 HydrophobicContact CB-CD1 4Å; R402-L405 HydrophobicContact CB-CG 4.01Å; R402-L405 HydrophobicContact CG-CD1 4.2Å; R402-L405 VanDerWaalsContact CZ-CD1 3.42Å; R402-L405 PolarHBondContact O-N 3Å; R402-F409 WeakPolarHBondContact CG-O 3.44Å; R402-Q413 VanDerWaalsContact CG-OE1 3.27Å; R402-P431 PolarHBondContact NH1-O 3.44Å; R402-P445 PolarHBondContact NH1-O 2.83Å; R402-P445 PolarHBondContact NH2-O 2.73Å
403	P	97.4	Very high	97.6	Very high	114 Å²	114	34 Å²	34	74%	0.74	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-13.7	-179.8	28.5	-36.9	0	0	0	113.7	L405	P403-L405 VanDerWaalsContact C-N 3.31Å
404	D	97.4	Very high	97.8	Very high	73 Å²	73	34 Å²	34	39%	0.39	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-10.7	171.6	63.3	-45.3	0	0	0	113.5	I276 R402	I276-D404 VanDerWaalsContact CD1-OD1 3.25Å; I276-D404 WeakPolarHBondContact CD1-OD1 3.48Å; R402-D404 WeakPolarHBondContact CA-OD1 3.21Å; R402-D404 IonicContact CZ-OD1 2.73Å; R402-D404 IonicContact CZ-OD2 3.6Å; R402-D404 IonicContact NE-OD1 3.12Å; R402-D404 PolarHBondContact NE-OD1 2.8Å; R402-D404 IonicContact NE-OD2 2.73Å; R402-D404 PolarHBondContact NE-OD2 3.47Å; R402-D404 IonicContact NH2-OD1 3Å; R402-D404 IonicContact NH2-OD2 3.62Å; R402-D404 PolarHBondContact NH2-OD2 3.14Å; R402-D404 PolarHBondContact O-N 3.32Å; R402-D404 VanDerWaalsContact O-N 3.17Å
405	L	97.6	Very high	97.8	Very high	18 Å²	18	34 Å²	34	9%	0.094	21%	0.214	C	C	.	.	S	Bend	trans	-113.7	165.2	177.8	-60.6	-172	0	0	0	111.7	R402 P403 F409 F444 P445	R402-L405 HydrophobicContact CB-CB 4.04Å; R402-L405 HydrophobicContact CB-CD1 4Å; R402-L405 HydrophobicContact CB-CG 4.01Å; R402-L405 HydrophobicContact CG-CD1 4.2Å; R402-L405 VanDerWaalsContact CZ-CD1 3.42Å; R402-L405 PolarHBondContact O-N 3Å; P403-L405 VanDerWaalsContact C-N 3.31Å; L405-F409 HydrophobicContact CB-CB 4.1Å; L405-F409 HydrophobicContact CD1-CB 3.67Å; L405-F409 HydrophobicContact CD1-CG 4.45Å; L405-F444 HydrophobicContact CD1-CB 4.38Å; L405-F444 HydrophobicContact CD2-CB 3.85Å; L405-F444 HydrophobicContact CD2-CD1 4.31Å; L405-F444 HydrophobicContact CD2-CG 4.07Å; L405-P445 HydrophobicContact CD2-CG 3.98Å
406	P	97.1	Very high	97.8	Very high	71 Å²	71	34.1 Å²	34.1	46%	0.461	21%	0.214	S	C	.	.			trans	-55.4	153.2	167.2	-24.7	35.3	0	0	0	112.4	G408 F409 F444	P406-G408 PolarHBondContact O-N 3.03Å; P406-F409 HydrophobicContact CB-CD2 4.2Å; P406-F409 HydrophobicContact CB-CE2 4.23Å; P406-F409 WeakPolarHBondContact O-CD2 3.36Å; P406-F444 HydrophobicContact CG-CE1 4.19Å; P406-F444 HydrophobicContact CG-CZ 3.9Å
407	T	94.3	Very high	97.6	Very high	152 Å²	152	34.1 Å²	34.1	93%	0.933	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	135.8	177.9	-51.8	0	0	0	0	111.2
408	G	93.6	Very high	97.4	Very high	49 Å²	49	34.4 Å²	34.4	51%	0.505	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	110	-18.3	178.9	0	0	0	0	0	114.6	P406 L435	P406-G408 PolarHBondContact O-N 3.03Å; G408-L435 WeakPolarHBondContact O-CD2 3.04Å
409	F	97.9	Very high	96.8	Very high	26 Å²	26	35.1 Å²	35.1	11%	0.114	22%	0.221	C	C	.	.			trans	-91.9	9.5	-178.2	-64.5	-71.2	0	0	0	115.1	R402 L405 P406 Q413 S433 L435 A436 Q441 F444	R402-F409 WeakPolarHBondContact CG-O 3.44Å; L405-F409 HydrophobicContact CB-CB 4.1Å; L405-F409 HydrophobicContact CD1-CB 3.67Å; L405-F409 HydrophobicContact CD1-CG 4.45Å; P406-F409 HydrophobicContact CB-CD2 4.2Å; P406-F409 HydrophobicContact CB-CE2 4.23Å; P406-F409 WeakPolarHBondContact O-CD2 3.36Å; F409-Q413 PolarHBondContact O-NE2 2.94Å; F409-Q413 VanDerWaalsContact O-NE2 3.15Å; F409-S433 VanDerWaalsContact O-CB 3.28Å; F409-S433 WeakPolarHBondContact O-CB 3.28Å; F409-S433 PolarHBondContact O-OG 3.32Å; F409-L435 HydrophobicContact CD1-CB 4.26Å; F409-L435 HydrophobicContact CD1-CD2 4.3Å; F409-L435 HydrophobicContact CD1-CG 4.4Å; F409-L435 HydrophobicContact CE1-CD2 4.42Å; F409-L435 HydrophobicContact CE1-CG 4.41Å; F409-A436 HydrophobicContact CD1-CB 3.86Å; F409-A436 HydrophobicContact CE1-CB 4.11Å; F409-Q441 HydrophobicContact CE1-CB 4.42Å; F409-Q441 HydrophobicContact CE1-CG 4.09Å; F409-Q441 HydrophobicContact CZ-CG 3.97Å; F409-F444 HydrophobicContact CD1-CE2 4.47Å; F409-F444 HydrophobicContact CD2-CD2 4.29Å; F409-F444 AromaticContact CD2-CE2 3.81Å; F409-F444 HydrophobicContact CD2-CE2 3.81Å; F409-F444 HydrophobicContact CE1-CD2 4.47Å; F409-F444 HydrophobicContact CE1-CE2 4.13Å; F409-F444 HydrophobicContact CE2-CD2 4.27Å; F409-F444 AromaticContact CE2-CE2 3.41Å; F409-F444 HydrophobicContact CE2-CE2 3.41Å; F409-F444 VanDerWaalsContact CE2-CE2 3.41Å; F409-F444 HydrophobicContact CE2-CZ 4.1Å; F409-F444 HydrophobicContact CG-CD2 4.43Å; F409-F444 HydrophobicContact CG-CE2 4.34Å; F409-F444 HydrophobicContact CZ-CD2 4.37Å; F409-F444 AromaticContact CZ-CE2 3.61Å; F409-F444 HydrophobicContact CZ-CE2 3.61Å
410	G	97	Very high	95.7	Very high	28 Å²	28	33.3 Å²	33.3	29%	0.289	21%	0.214	S	C	.	.			trans	-71.2	-171.1	166.2	0	0	0	0	0	112.6	M400	M400-G410 CarbonylContact O-C 3.5Å; M400-G410 WeakPolarHBondContact O-CA 3.5Å
411	G	98.4	Very high	94.8	Very high	15 Å²	15	36.3 Å²	36.3	16%	0.155	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	91	-140.8	-175.7	0	0	0	0	0	111.4	M400 Q413	M400-G411 PolarHBondContact N-O 3.18Å; M400-G411 PolarHBondContact O-N 2.9Å; M400-G411 VanDerWaalsContact O-O 3.14Å; G411-Q413 PolarHBondContact O-N 3.49Å; G411-Q413 PolarHBondContact O-NE2 2.83Å
412	W	98.8	Very high	94.1	Very high	34 Å²	34	36.4 Å²	36.4	13%	0.129	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	129.2	-179.2	-65	112.9	0	0	0	112.4	C224 R353 E397 Y399 V434	C224-W412 HydrophobicContact CB-CH2 4.31Å; R353-W412 HydrophobicContact CG-CH2 4.32Å; R353-W412 HydrophobicContact CG-CZ3 4.15Å; E397-W412 HydrophobicContact CB-CB 4.38Å; E397-W412 HydrophobicContact CB-CD2 4.34Å; E397-W412 HydrophobicContact CB-CE3 3.73Å; E397-W412 HydrophobicContact CB-CZ3 4.42Å; E397-W412 HydrophobicContact CG-CB 4.48Å; Y399-W412 AromaticContact CD2-CD2 3.89Å; Y399-W412 HydrophobicContact CD2-CD2 3.89Å; Y399-W412 AromaticContact CD2-CE2 3.81Å; Y399-W412 HydrophobicContact CD2-CE3 4.28Å; Y399-W412 HydrophobicContact CD2-CG 4.23Å; Y399-W412 HydrophobicContact CD2-CZ2 4.16Å; W412-V434 HydrophobicContact CB-CB 4.46Å; W412-V434 HydrophobicContact CB-CG2 3.97Å; W412-V434 WeakPolarHBondContact O-CB 3.49Å; W412-V434 WeakPolarHBondContact O-CG2 3.41Å; W412-V434 PolarHBondContact O-N 3.44Å; W412-V434 VanDerWaalsContact O-N 3.09Å
413	Q	98.8	Very high	93.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.5	177.3	-44	-62.6	-61.3	0	0	109.9	E397 C398 M400 R402 F409 G411 P431 A432	E397-Q413 CarbonylContact C-O 3.58Å; E397-Q413 VanDerWaalsContact CA-O 3.24Å; E397-Q413 WeakPolarHBondContact CA-O 3.48Å; C398-Q413 PolarHBondContact N-O 2.62Å; C398-Q413 PolarHBondContact O-N 3.33Å; M400-Q413 HydrophobicContact CG-CG 3.66Å; M400-Q413 HydrophobicContact SD-CG 4.2Å; R402-Q413 VanDerWaalsContact CG-OE1 3.27Å; F409-Q413 PolarHBondContact O-NE2 2.94Å; F409-Q413 VanDerWaalsContact O-NE2 3.15Å; G411-Q413 PolarHBondContact O-N 3.49Å; G411-Q413 PolarHBondContact O-NE2 2.83Å; Q413-P431 HydrophobicContact CB-CB 3.67Å; Q413-P431 HydrophobicContact CG-CB 4.24Å; Q413-A432 CarbonylContact C-O 3.6Å; Q413-A432 VanDerWaalsContact CA-O 3.22Å; Q413-A432 WeakPolarHBondContact CA-O 3.43Å
414	V	98.7	Very high	92.8	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	128.6	173.2	-179.5	0	0	0	0	109.7	W395 N396 G430 P431 A432 V434 V451 Y501	W395-V414 HydrophobicContact CD2-CG1 4.39Å; W395-V414 HydrophobicContact CG-CG1 4.06Å; N396-V414 WeakPolarHBondContact O-CA 3.47Å; V414-G430 WeakPolarHBondContact O-CA 3.34Å; V414-P431 CarbonylContact O-C 3.53Å; V414-P431 VanDerWaalsContact O-CA 3.32Å; V414-P431 WeakPolarHBondContact O-CA 3.45Å; V414-A432 HydrophobicContact CB-CB 4.34Å; V414-A432 PolarHBondContact N-O 3.04Å; V414-A432 PolarHBondContact O-N 3.12Å; V414-V434 HydrophobicContact CG2-CG2 3.64Å; V414-V451 HydrophobicContact CB-CG1 4.03Å; V414-V451 HydrophobicContact CB-CG2 4.41Å; V414-V451 HydrophobicContact CG1-CG1 3.8Å; V414-V451 HydrophobicContact CG1-CG2 3.92Å; V414-V451 HydrophobicContact CG2-CG1 3.97Å; V414-Y501 HydrophobicContact CG2-CE1 3.75Å; V414-Y501 WeakPolarHBondContact CG2-OH 3.21Å
415	V	98.4	Very high	92.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	123.9	172.1	-172.5	0	0	0	0	107.6	F341 N396 C398 C429 P431	F341-V415 HydrophobicContact CD1-CG1 4.44Å; F341-V415 HydrophobicContact CE1-CB 3.8Å; F341-V415 HydrophobicContact CE1-CG1 3.37Å; F341-V415 HydrophobicContact CZ-CB 4.5Å; F341-V415 HydrophobicContact CZ-CG1 3.83Å; N396-V415 PolarHBondContact N-O 3.23Å; N396-V415 PolarHBondContact O-N 2.51Å; C398-V415 WeakPolarHBondContact SG-CG2 3.49Å; V415-C429 VanDerWaalsContact CG1-O 3.25Å; V415-C429 WeakPolarHBondContact CG1-O 3.42Å; V415-P431 HydrophobicContact CG2-CB 3.82Å
416	D	97.4	Very high	91.5	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.011	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	123.9	176.9	-173.7	10.6	0	0	0	110.4	H393 W395 T418 Q420 C429	H393-D416 IonicContact CD2-OD2 3.13Å; H393-D416 IonicContact CE1-OD2 3.92Å; H393-D416 PolarHBondContact CE1-OD2 2.8Å; H393-D416 IonicContact NE2-OD1 2.67Å; H393-D416 IonicContact NE2-OD2 2.71Å; H393-D416 PolarHBondContact NE2-OD2 3.45Å; W395-D416 HydrophobicContact CB-CB 3.88Å; D416-T418 WeakPolarHBondContact OD1-CB 3.39Å; D416-T418 PolarHBondContact OD1-N 2.82Å; D416-T418 PolarHBondContact OD1-OG1 2.71Å; D416-Q420 PolarHBondContact OD2-NE2 2.72Å; D416-C429 HydrophobicContact CB-CB 3.95Å; D416-C429 PolarHBondContact N-O 2.76Å; D416-C429 PolarHBondContact O-N 3.41Å
417	A	96.3	Very high	91.1	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.008	23%	0.23	C	C	.	.			trans	-94.7	-6	178.6	0	0	0	0	0	112.6	L286 F341	L286-A417 HydrophobicContact CB-CB 3.75Å; L286-A417 HydrophobicContact CG-CB 4.33Å; F341-A417 HydrophobicContact CB-CB 4.4Å; F341-A417 HydrophobicContact CD1-CB 4.25Å; F341-A417 HydrophobicContact CG-CB 4.41Å
418	T	93.9	Very high	90.9	Very high	5 Å²	5	31.3 Å²	31.3	3%	0.031	19%	0.193	C	C	.	.	S	Bend	trans	-70.9	126	175	-48.2	0	0	0	0	108.8	W299 C334 Y337 D416 Q420	W299-T418 HydrophobicContact CH2-CG2 4.24Å; W299-T418 HydrophobicContact CZ2-CG2 4.39Å; C334-T418 WeakPolarHBondContact CA-OG1 3.5Å; C334-T418 HydrophobicContact CB-CG2 4.09Å; Y337-T418 HydrophobicContact CD2-CG2 4.26Å; D416-T418 WeakPolarHBondContact OD1-CB 3.39Å; D416-T418 PolarHBondContact OD1-N 2.82Å; D416-T418 PolarHBondContact OD1-OG1 2.71Å; T418-Q420 HydrophobicContact CG2-CG 4.23Å; T418-Q420 PolarHBondContact O-N 3Å
419	P	86.4	Confident	91	Very high	15 Å²	15	29.3 Å²	29.3	10%	0.097	17%	0.172	C	C	.	.			trans	-73.7	92.1	179.8	29	-33.2	0	0	0	110.2	N287 R289 Y427	N287-P419 HydrophobicContact CB-CB 4.29Å; N287-P419 HydrophobicContact CB-CG 4.05Å; R289-P419 HydrophobicContact CG-CB 4.24Å; R289-P419 HydrophobicContact CG-CG 4.48Å; P419-Y427 HydrophobicContact CB-CD1 3.72Å; P419-Y427 HydrophobicContact CB-CE1 4.5Å; P419-Y427 HydrophobicContact CB-CG 3.84Å
420	Q	74.4	Confident	90.9	Very high	17 Å²	17	28.1 Å²	28.1	8%	0.079	17%	0.166	C	C	.	.			trans	-102.8	-76.3	175.5	-53.8	-169.4	42.3	0	0	110.5	H362 H393 D416 T418 F450 E454	H362-Q420 PolarHBondContact CD2-OE1 3.14Å; H362-Q420 WeakPolarHBondContact NE2-CG 3.14Å; H362-Q420 PolarHBondContact NE2-OE1 3.25Å; H393-Q420 PolarHBondContact CD2-NE2 2.82Å; H393-Q420 PolarHBondContact CE1-NE2 2.85Å; H393-Q420 PolarHBondContact NE2-NE2 2.78Å; D416-Q420 PolarHBondContact OD2-NE2 2.72Å; T418-Q420 HydrophobicContact CG2-CG 4.23Å; T418-Q420 PolarHBondContact O-N 3Å; Q420-F450 HydrophobicContact CB-CZ 4.01Å; Q420-F450 HydrophobicContact CG-CZ 4.49Å; Q420-F450 VanDerWaalsContact OE1-CZ 3.31Å; Q420-E454 PolarHBondContact NE2-OE1 3.34Å; Q420-E454 PolarHBondContact OE1-OE1 3.24Å
421	E	80.4	Confident	90.9	Very high	62 Å²	62	26.8 Å²	26.8	29%	0.29	15%	0.152	S	C	.	.	S	Bend	trans	-108.7	155.9	179.4	-72	-61.9	160.1	0	0	111.3	F450	E421-F450 HydrophobicContact CB-CD2 4.23Å; E421-F450 HydrophobicContact CB-CE2 4.03Å; E421-F450 HydrophobicContact CB-CZ 4.48Å; E421-F450 HydrophobicContact CG-CD2 3.79Å; E421-F450 HydrophobicContact CG-CE2 3.42Å; E421-F450 VanDerWaalsContact CG-CE2 3.42Å; E421-F450 HydrophobicContact CG-CZ 4.19Å
422	T	84.2	Confident	90.9	Very high	72 Å²	72	26 Å²	26	44%	0.442	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	132.7	174.3	65.4	0	0	0	0	111	M426 Y427	T422-M426 CarbonylContact C-O 3.6Å; T422-M426 VanDerWaalsContact CA-O 3.3Å; T422-M426 WeakPolarHBondContact CA-O 3.01Å; T422-Y427 HydrophobicContact CG2-CD1 4.14Å; T422-Y427 HydrophobicContact CG2-CD2 4.24Å; T422-Y427 HydrophobicContact CG2-CE1 3.97Å; T422-Y427 HydrophobicContact CG2-CE2 4.05Å; T422-Y427 HydrophobicContact CG2-CG 4.29Å
423	S	85.1	Confident	90.9	Very high	10 Å²	10	24.5 Å²	24.5	7%	0.07	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	118.7	169.2	-174.2	0	0	0	0	110	R280 G425 M426 R428 D447	R280-S423 PolarHBondContact NH2-OG 3.21Å; S423-G425 PolarHBondContact O-N 3.16Å; S423-M426 PolarHBondContact N-O 2.97Å; S423-M426 PolarHBondContact O-N 3.25Å; S423-R428 WeakPolarHBondContact CB-O 3.48Å; S423-R428 PolarHBondContact O-NE 3.23Å; S423-D447 WeakPolarHBondContact CB-OD1 3.33Å; S423-D447 PolarHBondContact OG-OD1 3.28Å; S423-D447 PolarHBondContact OG-OD2 3.43Å
424	D	83.5	Confident	90.9	Very high	129 Å²	129	24.9 Å²	24.9	69%	0.69	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	31.4	-168.9	-47.4	-55.8	0	0	0	113.4	R280 R428	R280-D424 IonicContact NH2-OD2 2.91Å; R280-D424 PolarHBondContact NH2-OD2 3.39Å; D424-R428 IonicContact OD2-CZ 3.23Å; D424-R428 IonicContact OD2-NH2 2.8Å; D424-R428 PolarHBondContact OD2-NH2 2.82Å
425	G	83.7	Confident	90.9	Very high	56 Å²	56	28 Å²	28	58%	0.577	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.7	9.5	-179	0	0	0	0	0	115.3	S423	S423-G425 PolarHBondContact O-N 3.16Å
426	M	82.4	Confident	90.8	Very high	41 Å²	41	28.1 Å²	28.1	20%	0.202	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	144.2	174.6	-59.9	-177.4	74.9	0	0	111	A284 D290 D291 T422 S423 R428	A284-M426 HydrophobicContact CB-CE 4.37Å; D290-M426 WeakPolarHBondContact OD2-CA 3.45Å; D291-M426 WeakPolarHBondContact OD2-CE 3.34Å; T422-M426 CarbonylContact C-O 3.6Å; T422-M426 VanDerWaalsContact CA-O 3.3Å; T422-M426 WeakPolarHBondContact CA-O 3.01Å; S423-M426 PolarHBondContact N-O 2.97Å; S423-M426 PolarHBondContact O-N 3.25Å; M426-R428 HydrophobicContact CB-CG 4.37Å; M426-R428 PolarHBondContact O-N 2.97Å
427	Y	88.6	Confident	90.8	Very high	52 Å²	52	28 Å²	28	20%	0.204	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	94.7	173	-71.7	-80.4	0	0	0	110.7	N287 R289 D290 P419 T422	N287-Y427 PolarHBondContact ND2-O 2.91Å; R289-Y427 HydrophobicContact CB-CD2 3.62Å; R289-Y427 HydrophobicContact CB-CE2 4.08Å; R289-Y427 HydrophobicContact CB-CG 4.31Å; R289-Y427 HydrophobicContact CG-CD2 4.25Å; R289-Y427 HydrophobicContact CG-CE2 4.46Å; R289-Y427 PolarHBondContact NH1-OH 3.11Å; R289-Y427 VanDerWaalsContact NH1-OH 3.12Å; D290-Y427 WeakPolarHBondContact OD2-CD2 3.43Å; D290-Y427 PolarHBondContact OD2-N 2.94Å; P419-Y427 HydrophobicContact CB-CD1 3.72Å; P419-Y427 HydrophobicContact CB-CE1 4.5Å; P419-Y427 HydrophobicContact CB-CG 3.84Å; T422-Y427 HydrophobicContact CG2-CD1 4.14Å; T422-Y427 HydrophobicContact CG2-CD2 4.24Å; T422-Y427 HydrophobicContact CG2-CE1 3.97Å; T422-Y427 HydrophobicContact CG2-CE2 4.05Å; T422-Y427 HydrophobicContact CG2-CG 4.29Å
428	R	90.7	Very high	90.9	Very high	43 Å²	43	30.1 Å²	30.1	16%	0.162	17%	0.167	C	C	.	.			trans	-162.2	149.3	178.5	66	-171.3	-177	178.8	5.2	109.6	A284 S423 D424 M426	A284-R428 HydrophobicContact CB-CB 3.96Å; S423-R428 WeakPolarHBondContact CB-O 3.48Å; S423-R428 PolarHBondContact O-NE 3.23Å; D424-R428 IonicContact OD2-CZ 3.23Å; D424-R428 IonicContact OD2-NH2 2.8Å; D424-R428 PolarHBondContact OD2-NH2 2.82Å; M426-R428 HydrophobicContact CB-CG 4.37Å; M426-R428 PolarHBondContact O-N 2.97Å
429	C	95.3	Very high	90.9	Very high	7 Å²	7	33.5 Å²	33.5	5%	0.047	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	141.1	175.2	178.2	0	0	0	0	111.2	V415 D416 D447	V415-C429 VanDerWaalsContact CG1-O 3.25Å; V415-C429 WeakPolarHBondContact CG1-O 3.42Å; D416-C429 HydrophobicContact CB-CB 3.95Å; D416-C429 PolarHBondContact N-O 2.76Å; D416-C429 PolarHBondContact O-N 3.41Å; C429-D447 WeakPolarHBondContact CA-OD2 3.4Å
430	G	96.1	Very high	91.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	78.9	178.9	175.9	0	0	0	0	0	114.3	R280 V414 D447	R280-G430 WeakPolarHBondContact CD-O 3.35Å; R280-G430 PolarHBondContact NH1-O 2.98Å; V414-G430 WeakPolarHBondContact O-CA 3.34Å; G430-D447 PolarHBondContact N-OD2 3.5Å
431	P	98.1	Very high	92.2	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-76	118.3	8.8	27.7	-33.1	0	0	0	114.5	I276 R402 Q413 V414 V415 F446	I276-P431 HydrophobicContact CG2-CG 3.82Å; R402-P431 PolarHBondContact NH1-O 3.44Å; Q413-P431 HydrophobicContact CB-CB 3.67Å; Q413-P431 HydrophobicContact CG-CB 4.24Å; V414-P431 CarbonylContact O-C 3.53Å; V414-P431 VanDerWaalsContact O-CA 3.32Å; V414-P431 WeakPolarHBondContact O-CA 3.45Å; V415-P431 HydrophobicContact CG2-CB 3.82Å; P431-F446 HydrophobicContact CG-CD2 4.04Å; P431-F446 HydrophobicContact CG-CE2 4.45Å; P431-F446 PolarHBondContact O-N 3.22Å
432	A	98.3	Very high	92.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	128.5	172.6	0	0	0	0	0	109.9	Q413 V414 V434 I437 F446 V451	Q413-A432 CarbonylContact C-O 3.6Å; Q413-A432 VanDerWaalsContact CA-O 3.22Å; Q413-A432 WeakPolarHBondContact CA-O 3.43Å; V414-A432 HydrophobicContact CB-CB 4.34Å; V414-A432 PolarHBondContact N-O 3.04Å; V414-A432 PolarHBondContact O-N 3.12Å; A432-V434 PolarHBondContact O-N 2.97Å; A432-I437 HydrophobicContact CB-CD1 4.36Å; A432-F446 WeakPolarHBondContact CB-O 3.45Å; A432-V451 HydrophobicContact CB-CG2 4.12Å
433	S	98.7	Very high	93.2	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.014	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	123.1	178.7	174.9	0	0	0	0	110.8	F409 L435 A436 I437	F409-S433 VanDerWaalsContact O-CB 3.28Å; F409-S433 WeakPolarHBondContact O-CB 3.28Å; F409-S433 PolarHBondContact O-OG 3.32Å; S433-L435 PolarHBondContact O-N 3.33Å; S433-L435 PolarHBondContact OG-N 3.05Å; S433-A436 WeakPolarHBondContact O-CA 3.46Å; S433-A436 WeakPolarHBondContact O-CB 3.41Å; S433-A436 PolarHBondContact O-N 2.89Å; S433-A436 PolarHBondContact OG-N 3.41Å; S433-I437 WeakPolarHBondContact O-CG1 3.04Å; S433-I437 PolarHBondContact O-N 3.42Å
434	V	98.6	Very high	93.7	Very high	8 Å²	8	32.7 Å²	32.7	5%	0.048	18%	0.178	C	C	.	.	H	α-helix	trans	-56.5	-36.6	177.1	172.6	0	0	0	0	110.6	E397 W412 V414 A432 I437 K438 Q500 Y501	E397-V434 HydrophobicContact CG-CG2 4.23Å; W412-V434 HydrophobicContact CB-CB 4.46Å; W412-V434 HydrophobicContact CB-CG2 3.97Å; W412-V434 WeakPolarHBondContact O-CB 3.49Å; W412-V434 WeakPolarHBondContact O-CG2 3.41Å; W412-V434 PolarHBondContact O-N 3.44Å; W412-V434 VanDerWaalsContact O-N 3.09Å; V414-V434 HydrophobicContact CG2-CG2 3.64Å; A432-V434 PolarHBondContact O-N 2.97Å; V434-I437 WeakPolarHBondContact O-CB 3.44Å; V434-I437 PolarHBondContact O-N 3.37Å; V434-K438 PolarHBondContact O-N 2.96Å; V434-Q500 HydrophobicContact CG1-CB 4.01Å; V434-Q500 VanDerWaalsContact CG1-O 3.23Å; V434-Q500 WeakPolarHBondContact CG1-O 3.39Å; V434-Y501 HydrophobicContact CG1-CD2 4.33Å; V434-Y501 HydrophobicContact CG1-CE2 4.22Å
435	L	97.9	Very high	94.3	Very high	67 Å²	67	29.1 Å²	29.1	35%	0.351	16%	0.161	S	C	.	.	H	α-helix	trans	-67.6	-36.5	175.7	-168.6	69	0	0	0	112.4	G408 F409 S433 I437 K438 H439	G408-L435 WeakPolarHBondContact O-CD2 3.04Å; F409-L435 HydrophobicContact CD1-CB 4.26Å; F409-L435 HydrophobicContact CD1-CD2 4.3Å; F409-L435 HydrophobicContact CD1-CG 4.4Å; F409-L435 HydrophobicContact CE1-CD2 4.42Å; F409-L435 HydrophobicContact CE1-CG 4.41Å; S433-L435 PolarHBondContact O-N 3.33Å; S433-L435 PolarHBondContact OG-N 3.05Å; L435-I437 VanDerWaalsContact C-N 3.33Å; L435-K438 PolarHBondContact O-N 3.13Å; L435-H439 PolarHBondContact O-CD2 3.47Å; L435-H439 PolarHBondContact O-N 3.2Å; L435-H439 VanDerWaalsContact O-N 3.09Å
436	A	97.3	Very high	94.8	Very high	1 Å²	1	29 Å²	29	1%	0.008	15%	0.145	C	C	.	.	H	α-helix	trans	-64.5	-40.1	173.8	0	0	0	0	0	111.3	F409 S433 H439 G440 Q441 F444	F409-A436 HydrophobicContact CD1-CB 3.86Å; F409-A436 HydrophobicContact CE1-CB 4.11Å; S433-A436 WeakPolarHBondContact O-CA 3.46Å; S433-A436 WeakPolarHBondContact O-CB 3.41Å; S433-A436 PolarHBondContact O-N 2.89Å; S433-A436 PolarHBondContact OG-N 3.41Å; A436-H439 PolarHBondContact O-N 3.36Å; A436-G440 PolarHBondContact O-N 3.05Å; A436-G440 VanDerWaalsContact O-N 3.08Å; A436-Q441 HydrophobicContact CB-CB 3.99Å; A436-Q441 PolarHBondContact O-N 3.41Å; A436-F444 HydrophobicContact CB-CD2 4.15Å
437	I	97.1	Very high	95.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-59	-54.2	172.8	-58.2	-54.4	0	0	0	110.1	A432 S433 V434 L435 H439 G440 A448 V451 F452 V455 Y501	A432-I437 HydrophobicContact CB-CD1 4.36Å; S433-I437 WeakPolarHBondContact O-CG1 3.04Å; S433-I437 PolarHBondContact O-N 3.42Å; V434-I437 WeakPolarHBondContact O-CB 3.44Å; V434-I437 PolarHBondContact O-N 3.37Å; L435-I437 VanDerWaalsContact C-N 3.33Å; I437-H439 PolarHBondContact O-N 2.97Å; I437-H439 VanDerWaalsContact O-N 3.15Å; I437-G440 PolarHBondContact O-N 3.15Å; I437-G440 VanDerWaalsContact O-N 3.09Å; I437-A448 HydrophobicContact CD1-CB 3.9Å; I437-A448 VanDerWaalsContact CD1-O 3.23Å; I437-A448 WeakPolarHBondContact CD1-O 3.1Å; I437-V451 HydrophobicContact CD1-CB 3.8Å; I437-V451 HydrophobicContact CD1-CG1 3.85Å; I437-V451 HydrophobicContact CG1-CB 4.37Å; I437-V451 HydrophobicContact CG1-CG1 3.85Å; I437-F452 HydrophobicContact CD1-CB 4.14Å; I437-F452 HydrophobicContact CG2-CB 4.39Å; I437-F452 HydrophobicContact CG2-CD2 3.99Å; I437-F452 WeakPolarHBondContact O-CD2 3.43Å; I437-F452 WeakPolarHBondContact O-CE2 3.29Å; I437-V455 HydrophobicContact CG2-CG2 4.17Å; I437-Y501 HydrophobicContact CG2-CD1 4.29Å
438	K	97.4	Very high	95.6	Very high	46 Å²	46	26.2 Å²	26.2	20%	0.2	14%	0.135	C	C	.	.	H	α-helix	trans	-53.6	-39.9	179.7	-174.4	171.3	178.6	167	0	114.1	V434 L435 D499 Q500 Y501 F503	V434-K438 PolarHBondContact O-N 2.96Å; L435-K438 PolarHBondContact O-N 3.13Å; K438-D499 VanDerWaalsContact CE-O 3.23Å; K438-D499 WeakPolarHBondContact CE-O 3.35Å; K438-D499 PolarHBondContact NZ-O 3.36Å; K438-Q500 WeakPolarHBondContact CB-O 3.46Å; K438-Y501 VanDerWaalsContact CA-O 3.23Å; K438-Y501 WeakPolarHBondContact CA-O 3.48Å; K438-Y501 PolarHBondContact N-O 2.88Å; K438-F503 HydrophobicContact CG-CD2 4.43Å; K438-F503 HydrophobicContact CG-CE2 3.99Å; K438-F503 HydrophobicContact CG-CZ 4.15Å; K438-F503 WeakPolarHBondContact O-CE2 3.22Å
439	H	95.8	Very high	95.7	Very high	76 Å²	76	26.3 Å²	26.3	35%	0.352	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	11.5	-176.3	-71.8	-82.2	0	0	0	114.3	L435 A436 I437 Q441 F503	L435-H439 PolarHBondContact O-CD2 3.47Å; L435-H439 PolarHBondContact O-N 3.2Å; L435-H439 VanDerWaalsContact O-N 3.09Å; A436-H439 PolarHBondContact O-N 3.36Å; I437-H439 PolarHBondContact O-N 2.97Å; I437-H439 VanDerWaalsContact O-N 3.15Å; H439-Q441 HydrophobicContact CB-CG 4.17Å; H439-Q441 PolarHBondContact O-N 3.2Å; H439-F503 AromaticContact CE1-CZ 3.63Å; H439-F503 AromaticContact ND1-CZ 3.81Å
440	G	93.3	Very high	95.4	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	25.6	178.3	0	0	0	0	0	114.1	A436 I437 I442	A436-G440 PolarHBondContact O-N 3.05Å; A436-G440 VanDerWaalsContact O-N 3.08Å; I437-G440 PolarHBondContact O-N 3.15Å; I437-G440 VanDerWaalsContact O-N 3.09Å; G440-I442 PolarHBondContact O-N 3.39Å
441	Q	94.8	Very high	95.3	Very high	43 Å²	43	27 Å²	27	20%	0.201	14%	0.143	C	C	.	.			trans	-84.3	52.7	177.8	-58.7	-79.1	14.9	0	0	110.5	F409 A436 H439 C443 F444 K516	F409-Q441 HydrophobicContact CE1-CB 4.42Å; F409-Q441 HydrophobicContact CE1-CG 4.09Å; F409-Q441 HydrophobicContact CZ-CG 3.97Å; A436-Q441 HydrophobicContact CB-CB 3.99Å; A436-Q441 PolarHBondContact O-N 3.41Å; H439-Q441 HydrophobicContact CB-CG 4.17Å; H439-Q441 PolarHBondContact O-N 3.2Å; Q441-C443 PolarHBondContact O-N 2.89Å; Q441-F444 HydrophobicContact CB-CD2 3.66Å; Q441-F444 HydrophobicContact CB-CE2 3.62Å; Q441-F444 HydrophobicContact CG-CE2 4.08Å; Q441-F444 PolarHBondContact O-N 3.36Å; Q441-K516 VanDerWaalsContact OE1-CE 3.24Å
442	I	92.4	Very high	95.2	Very high	5 Å²	5	27 Å²	27	3%	0.026	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-5.2	-168.9	63.4	170.1	0	0	0	113.9	G440 F444 A448 P449 F452 A517 F520 C522	G440-I442 PolarHBondContact O-N 3.39Å; I442-F444 PolarHBondContact O-N 3.43Å; I442-A448 HydrophobicContact CB-CB 4.26Å; I442-P449 HydrophobicContact CB-CB 4.43Å; I442-P449 HydrophobicContact CB-CG 4.05Å; I442-P449 HydrophobicContact CD1-CB 4.22Å; I442-P449 HydrophobicContact CD1-CG 4.35Å; I442-P449 HydrophobicContact CG1-CG 4.44Å; I442-P449 VanDerWaalsContact O-CD 3.24Å; I442-P449 WeakPolarHBondContact O-CD 3.4Å; I442-P449 WeakPolarHBondContact O-CG 3.35Å; I442-F452 HydrophobicContact CG2-CB 3.62Å; I442-F452 HydrophobicContact CG2-CD1 4.18Å; I442-F452 HydrophobicContact CG2-CD2 3.92Å; I442-F452 HydrophobicContact CG2-CG 3.65Å; I442-A517 HydrophobicContact CD1-CB 3.92Å; I442-F520 HydrophobicContact CD1-CB 3.87Å; I442-F520 HydrophobicContact CG1-CB 3.63Å; I442-F520 HydrophobicContact CG1-CD2 3.78Å; I442-F520 HydrophobicContact CG1-CG 4.07Å; I442-C522 WeakPolarHBondContact CD1-SG 3.44Å
443	C	92.8	Very high	94.8	Very high	69 Å²	69	27 Å²	27	47%	0.466	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-13.8	171.6	61.8	0	0	0	0	113.3	Q441 F520	Q441-C443 PolarHBondContact O-N 2.89Å; C443-F520 HydrophobicContact CB-CD1 3.7Å; C443-F520 HydrophobicContact CB-CE1 3.68Å; C443-F520 HydrophobicContact CB-CE2 4.47Å; C443-F520 HydrophobicContact CB-CG 4.14Å; C443-F520 HydrophobicContact CB-CZ 4.08Å; C443-F520 VanDerWaalsContact SG-CZ 3.55Å
444	F	95.6	Very high	94.5	Very high	41 Å²	41	27 Å²	27	18%	0.18	14%	0.143	C	C	.	.	S	Bend	trans	-78.1	139.6	178.5	-65.1	-31.4	0	0	0	111.8	L405 P406 F409 A436 Q441 I442 A448	L405-F444 HydrophobicContact CD1-CB 4.38Å; L405-F444 HydrophobicContact CD2-CB 3.85Å; L405-F444 HydrophobicContact CD2-CD1 4.31Å; L405-F444 HydrophobicContact CD2-CG 4.07Å; P406-F444 HydrophobicContact CG-CE1 4.19Å; P406-F444 HydrophobicContact CG-CZ 3.9Å; F409-F444 HydrophobicContact CD1-CE2 4.47Å; F409-F444 HydrophobicContact CD2-CD2 4.29Å; F409-F444 AromaticContact CD2-CE2 3.81Å; F409-F444 HydrophobicContact CD2-CE2 3.81Å; F409-F444 HydrophobicContact CE1-CD2 4.47Å; F409-F444 HydrophobicContact CE1-CE2 4.13Å; F409-F444 HydrophobicContact CE2-CD2 4.27Å; F409-F444 AromaticContact CE2-CE2 3.41Å; F409-F444 HydrophobicContact CE2-CE2 3.41Å; F409-F444 VanDerWaalsContact CE2-CE2 3.41Å; F409-F444 HydrophobicContact CE2-CZ 4.1Å; F409-F444 HydrophobicContact CG-CD2 4.43Å; F409-F444 HydrophobicContact CG-CE2 4.34Å; F409-F444 HydrophobicContact CZ-CD2 4.37Å; F409-F444 AromaticContact CZ-CE2 3.61Å; F409-F444 HydrophobicContact CZ-CE2 3.61Å; A436-F444 HydrophobicContact CB-CD2 4.15Å; Q441-F444 HydrophobicContact CB-CD2 3.66Å; Q441-F444 HydrophobicContact CB-CE2 3.62Å; Q441-F444 HydrophobicContact CG-CE2 4.08Å; Q441-F444 PolarHBondContact O-N 3.36Å; I442-F444 PolarHBondContact O-N 3.43Å; F444-A448 WeakPolarHBondContact O-CB 3.28Å
445	P	94.8	Very high	94.3	Very high	54 Å²	54	26.6 Å²	26.6	35%	0.351	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	152.1	172.4	29.3	-35.5	0	0	0	110.5	R402 L405	R402-P445 PolarHBondContact NH1-O 2.83Å; R402-P445 PolarHBondContact NH2-O 2.73Å; L405-P445 HydrophobicContact CD2-CG 3.98Å
446	F	95.1	Very high	94.1	Very high	53 Å²	53	24.2 Å²	24.2	23%	0.232	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	cis	-112.5	143	-2.9	-61.4	-91.8	0	0	0	109	I276 P431 A432 A448	I276-F446 HydrophobicContact CG2-CE2 3.79Å; P431-F446 HydrophobicContact CG-CD2 4.04Å; P431-F446 HydrophobicContact CG-CE2 4.45Å; P431-F446 PolarHBondContact O-N 3.22Å; A432-F446 WeakPolarHBondContact CB-O 3.45Å; F446-A448 PolarHBondContact O-N 3.34Å
447	D	93.9	Very high	93.8	Very high	34 Å²	34	24.1 Å²	24.1	18%	0.182	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	23.1	169.5	-42	-49.5	0	0	0	115.9	R280 S423 C429 G430 P449 F450 V451	R280-D447 IonicContact CZ-OD2 3.99Å; R280-D447 IonicContact NH1-OD2 3.85Å; R280-D447 PolarHBondContact NH1-OD2 3.18Å; R280-D447 IonicContact NH2-OD2 3.69Å; S423-D447 WeakPolarHBondContact CB-OD1 3.33Å; S423-D447 PolarHBondContact OG-OD1 3.28Å; S423-D447 PolarHBondContact OG-OD2 3.43Å; C429-D447 WeakPolarHBondContact CA-OD2 3.4Å; G430-D447 PolarHBondContact N-OD2 3.5Å; D447-P449 VanDerWaalsContact C-N 3.33Å; D447-F450 WeakPolarHBondContact O-CB 3.21Å; D447-F450 PolarHBondContact O-N 3.21Å; D447-F450 VanDerWaalsContact O-N 3.12Å; D447-V451 PolarHBondContact O-N 3.26Å
448	A	94.1	Very high	93.5	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.008	13%	0.129	C	C	.	.	H	α-helix	trans	-57.4	-36.2	-179.2	0	0	0	0	0	114	I437 I442 F444 F446 F450 F452	I437-A448 HydrophobicContact CD1-CB 3.9Å; I437-A448 VanDerWaalsContact CD1-O 3.23Å; I437-A448 WeakPolarHBondContact CD1-O 3.1Å; I442-A448 HydrophobicContact CB-CB 4.26Å; F444-A448 WeakPolarHBondContact O-CB 3.28Å; F446-A448 PolarHBondContact O-N 3.34Å; A448-F450 VanDerWaalsContact C-N 3.31Å; A448-F450 PolarHBondContact O-N 3.36Å; A448-F452 WeakPolarHBondContact O-CB 3.47Å; A448-F452 PolarHBondContact O-N 3.23Å
449	P	91.9	Very high	93.1	Very high	46 Å²	46	22.2 Å²	22.2	30%	0.299	12%	0.12	S	C	.	.	H	α-helix	trans	-61.3	-39.9	176.1	-23.1	34.5	0	0	0	112.8	I442 D447 F452 A453	I442-P449 HydrophobicContact CB-CB 4.43Å; I442-P449 HydrophobicContact CB-CG 4.05Å; I442-P449 HydrophobicContact CD1-CB 4.22Å; I442-P449 HydrophobicContact CD1-CG 4.35Å; I442-P449 HydrophobicContact CG1-CG 4.44Å; I442-P449 VanDerWaalsContact O-CD 3.24Å; I442-P449 WeakPolarHBondContact O-CD 3.4Å; I442-P449 WeakPolarHBondContact O-CG 3.35Å; D447-P449 VanDerWaalsContact C-N 3.33Å; P449-F452 PolarHBondContact O-N 2.77Å; P449-A453 WeakPolarHBondContact O-CB 3.25Å; P449-A453 PolarHBondContact O-N 2.97Å
450	F	90.5	Very high	92.8	Very high	20 Å²	20	18.6 Å²	18.6	9%	0.088	10%	0.103	C	C	.	.	H	α-helix	trans	-66	-53.2	-179.6	175.3	-101.6	0	0	0	111.1	Q420 E421 D447 A448 F452 A453 E454	Q420-F450 HydrophobicContact CB-CZ 4.01Å; Q420-F450 HydrophobicContact CG-CZ 4.49Å; Q420-F450 VanDerWaalsContact OE1-CZ 3.31Å; E421-F450 HydrophobicContact CB-CD2 4.23Å; E421-F450 HydrophobicContact CB-CE2 4.03Å; E421-F450 HydrophobicContact CB-CZ 4.48Å; E421-F450 HydrophobicContact CG-CD2 3.79Å; E421-F450 HydrophobicContact CG-CE2 3.42Å; E421-F450 VanDerWaalsContact CG-CE2 3.42Å; E421-F450 HydrophobicContact CG-CZ 4.19Å; D447-F450 WeakPolarHBondContact O-CB 3.21Å; D447-F450 PolarHBondContact O-N 3.21Å; D447-F450 VanDerWaalsContact O-N 3.12Å; A448-F450 VanDerWaalsContact C-N 3.31Å; A448-F450 PolarHBondContact O-N 3.36Å; F450-F452 VanDerWaalsContact C-N 3.25Å; F450-F452 PolarHBondContact O-N 2.69Å; F450-A453 PolarHBondContact O-N 2.82Å; F450-A453 VanDerWaalsContact O-N 3.12Å; F450-E454 HydrophobicContact CE1-CG 4.19Å; F450-E454 WeakPolarHBondContact CE1-OE1 3.33Å; F450-E454 HydrophobicContact CZ-CG 4.24Å; F450-E454 VanDerWaalsContact CZ-OE1 3.25Å; F450-E454 WeakPolarHBondContact CZ-OE1 3.41Å; F450-E454 PolarHBondContact O-N 3.37Å
451	V	93.7	Very high	92.6	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.006	10%	0.103	C	C	.	.	H	α-helix	trans	-60.4	-37.5	177.3	177.4	0	0	0	0	111.5	V414 A432 I437 D447 A453 E454	V414-V451 HydrophobicContact CB-CG1 4.03Å; V414-V451 HydrophobicContact CB-CG2 4.41Å; V414-V451 HydrophobicContact CG1-CG1 3.8Å; V414-V451 HydrophobicContact CG1-CG2 3.92Å; V414-V451 HydrophobicContact CG2-CG1 3.97Å; A432-V451 HydrophobicContact CB-CG2 4.12Å; I437-V451 HydrophobicContact CD1-CB 3.8Å; I437-V451 HydrophobicContact CD1-CG1 3.85Å; I437-V451 HydrophobicContact CG1-CB 4.37Å; I437-V451 HydrophobicContact CG1-CG1 3.85Å; D447-V451 PolarHBondContact O-N 3.26Å; V451-A453 VanDerWaalsContact C-N 3.35Å; V451-E454 PolarHBondContact O-N 2.9Å
452	F	94.3	Very high	92.4	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-64.1	-40.9	177.3	-175.4	-95.3	0	0	0	111.9	L368 I437 I442 A448 P449 F450 V455 N456 V513 L514 A517	L368-F452 HydrophobicContact CD1-CE1 3.95Å; L368-F452 HydrophobicContact CD2-CD1 3.69Å; L368-F452 HydrophobicContact CD2-CE1 3.61Å; L368-F452 HydrophobicContact CG-CD1 4.48Å; L368-F452 HydrophobicContact CG-CE1 4.31Å; I437-F452 HydrophobicContact CD1-CB 4.14Å; I437-F452 HydrophobicContact CG2-CB 4.39Å; I437-F452 HydrophobicContact CG2-CD2 3.99Å; I437-F452 WeakPolarHBondContact O-CD2 3.43Å; I437-F452 WeakPolarHBondContact O-CE2 3.29Å; I442-F452 HydrophobicContact CG2-CB 3.62Å; I442-F452 HydrophobicContact CG2-CD1 4.18Å; I442-F452 HydrophobicContact CG2-CD2 3.92Å; I442-F452 HydrophobicContact CG2-CG 3.65Å; A448-F452 WeakPolarHBondContact O-CB 3.47Å; A448-F452 PolarHBondContact O-N 3.23Å; P449-F452 PolarHBondContact O-N 2.77Å; F450-F452 VanDerWaalsContact C-N 3.25Å; F450-F452 PolarHBondContact O-N 2.69Å; F452-V455 WeakPolarHBondContact O-CG2 3.29Å; F452-V455 PolarHBondContact O-N 3.27Å; F452-N456 HydrophobicContact CD1-CB 4.43Å; F452-N456 WeakPolarHBondContact CD2-ND2 3.3Å; F452-N456 HydrophobicContact CE1-CB 4.1Å; F452-N456 WeakPolarHBondContact CE2-ND2 3.32Å; F452-N456 HydrophobicContact CZ-CB 4.27Å; F452-N456 WeakPolarHBondContact CZ-ND2 3.39Å; F452-N456 WeakPolarHBondContact O-CB 3.33Å; F452-N456 PolarHBondContact O-N 3.47Å; F452-N456 VanDerWaalsContact O-N 3.1Å; F452-N456 PolarHBondContact O-ND2 2.83Å; F452-V513 HydrophobicContact CE2-CG1 3.65Å; F452-V513 HydrophobicContact CZ-CG1 3.66Å; F452-L514 HydrophobicContact CE1-CD2 4.2Å; F452-L514 HydrophobicContact CZ-CD2 4.17Å; F452-A517 HydrophobicContact CD1-CB 4.22Å; F452-A517 HydrophobicContact CE1-CB 3.56Å; F452-A517 HydrophobicContact CZ-CB 4.01Å
453	A	91.8	Very high	92.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-67.7	-35.8	177	0	0	0	0	0	112.4	N364 P449 F450 V451 V455 N456 S457	N364-A453 WeakPolarHBondContact ND2-CB 3.43Å; P449-A453 WeakPolarHBondContact O-CB 3.25Å; P449-A453 PolarHBondContact O-N 2.97Å; F450-A453 PolarHBondContact O-N 2.82Å; F450-A453 VanDerWaalsContact O-N 3.12Å; V451-A453 VanDerWaalsContact C-N 3.35Å; A453-V455 PolarHBondContact O-N 2.88Å; A453-N456 PolarHBondContact O-N 3.01Å; A453-S457 WeakPolarHBondContact O-CB 3.15Å; A453-S457 PolarHBondContact O-N 3.03Å; A453-S457 VanDerWaalsContact O-N 3.14Å; A453-S457 PolarHBondContact O-OG 2.99Å
454	E	92.2	Very high	92.2	Very high	2 Å²	2	18 Å²	18	1%	0.009	9%	0.091	C	C	.	.	H	α-helix	trans	-56.6	-27	177.2	-68.5	-156.9	161.4	0	0	113.9	N357 A361 H393 W395 Q420 F450 V451 V480	N357-E454 PolarHBondContact ND2-O 3.2Å; N357-E454 VanDerWaalsContact ND2-O 3.14Å; A361-E454 PolarHBondContact N-O 3.12Å; A361-E454 VanDerWaalsContact N-O 3.13Å; H393-E454 IonicContact CD2-OE1 3.31Å; H393-E454 IonicContact CD2-OE2 2.75Å; W395-E454 WeakPolarHBondContact CZ3-OE2 3.46Å; Q420-E454 PolarHBondContact NE2-OE1 3.34Å; Q420-E454 PolarHBondContact OE1-OE1 3.24Å; F450-E454 HydrophobicContact CE1-CG 4.19Å; F450-E454 WeakPolarHBondContact CE1-OE1 3.33Å; F450-E454 HydrophobicContact CZ-CG 4.24Å; F450-E454 VanDerWaalsContact CZ-OE1 3.25Å; F450-E454 WeakPolarHBondContact CZ-OE1 3.41Å; F450-E454 PolarHBondContact O-N 3.37Å; V451-E454 PolarHBondContact O-N 2.9Å; E454-V480 WeakPolarHBondContact O-CG1 3.4Å
455	V	93.8	Very high	91.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-112.6	-14.3	-176.6	-62.9	0	0	0	0	114.9	W395 I437 F452 A453 Y501 K502	W395-V455 HydrophobicContact CH2-CG1 3.99Å; I437-V455 HydrophobicContact CG2-CG2 4.17Å; F452-V455 WeakPolarHBondContact O-CG2 3.29Å; F452-V455 PolarHBondContact O-N 3.27Å; A453-V455 PolarHBondContact O-N 2.88Å; V455-Y501 HydrophobicContact CG1-CD1 4.08Å; V455-Y501 HydrophobicContact CG2-CD1 4.38Å; V455-K502 PolarHBondContact O-NZ 3.3Å
456	N	93.1	Very high	91.4	Very high	16 Å²	16	26.4 Å²	26.4	9%	0.086	12%	0.122	C	C	.	.	H	α-helix	trans	-124.5	0.2	-173.9	-67.8	-59	0	0	0	115.6	L368 F452 A453 K502 L514	L368-N456 HydrophobicContact CD2-CB 4.08Å; F452-N456 HydrophobicContact CD1-CB 4.43Å; F452-N456 WeakPolarHBondContact CD2-ND2 3.3Å; F452-N456 HydrophobicContact CE1-CB 4.1Å; F452-N456 WeakPolarHBondContact CE2-ND2 3.32Å; F452-N456 HydrophobicContact CZ-CB 4.27Å; F452-N456 WeakPolarHBondContact CZ-ND2 3.39Å; F452-N456 WeakPolarHBondContact O-CB 3.33Å; F452-N456 PolarHBondContact O-N 3.47Å; F452-N456 VanDerWaalsContact O-N 3.1Å; F452-N456 PolarHBondContact O-ND2 2.83Å; A453-N456 PolarHBondContact O-N 3.01Å; N456-K502 WeakPolarHBondContact OD1-CB 3.29Å; N456-K502 WeakPolarHBondContact OD1-CD 3.32Å; N456-L514 HydrophobicContact CB-CD2 4.36Å
457	S	91.1	Very high	91.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.141	C	C	.	.			trans	-67.3	139.1	-176.2	-73.3	0	0	0	0	114.3	N367 A453 V480	N367-S457 PolarHBondContact O-OG 3.1Å; A453-S457 WeakPolarHBondContact O-CB 3.15Å; A453-S457 PolarHBondContact O-N 3.03Å; A453-S457 VanDerWaalsContact O-N 3.14Å; A453-S457 PolarHBondContact O-OG 2.99Å; S457-V480 VanDerWaalsContact O-CB 3.22Å; S457-V480 WeakPolarHBondContact O-CB 3.5Å; S457-V480 WeakPolarHBondContact O-CG2 3.07Å
458	D	90.2	Very high	90.7	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.016	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	142.9	172.3	-70.4	-27.3	0	0	0	110.6	L368 K369 L370 V460 V475 K477 Q524	L368-D458 PolarHBondContact O-N 3.26Å; K369-D458 CarbonylContact C-O 3.53Å; K369-D458 WeakPolarHBondContact CA-O 3.21Å; L370-D458 PolarHBondContact N-O 3.44Å; D458-V460 HydrophobicContact CB-CG2 4.46Å; D458-V475 HydrophobicContact CB-CG1 4.2Å; D458-K477 WeakPolarHBondContact OD1-CA 3.39Å; D458-K477 WeakPolarHBondContact OD1-CB 3.26Å; D458-Q524 WeakPolarHBondContact OD2-CG 3.37Å; D458-Q524 PolarHBondContact OD2-NE2 3.41Å
459	V	89.1	Confident	90.4	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.012	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	115.1	170.6	-177.5	0	0	0	0	109.9	L370 I372 V389 F461 K476 H479 V480	L370-V459 HydrophobicContact CB-CG2 4.47Å; L370-V459 HydrophobicContact CD2-CG1 4.15Å; I372-V459 HydrophobicContact CD1-CG1 3.4Å; I372-V459 VanDerWaalsContact CD1-CG1 3.4Å; I372-V459 HydrophobicContact CG1-CG1 3.92Å; V389-V459 HydrophobicContact CG2-CG2 4.19Å; V459-F461 HydrophobicContact CG1-CD2 4.49Å; V459-F461 HydrophobicContact CG1-CE2 3.84Å; V459-F461 HydrophobicContact CG1-CZ 4.3Å; V459-K476 HydrophobicContact CB-CB 4.27Å; V459-K476 PolarHBondContact N-O 2.91Å; V459-K476 PolarHBondContact O-N 2.91Å; V459-H479 HydrophobicContact CG2-CB 4.06Å; V459-V480 HydrophobicContact CG2-CG2 4.05Å
460	V	90.1	Very high	90.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	124.9	-172.6	-172.6	0	0	0	0	110.2	K369 L370 I372 D458 Y462 T472 V475 E525	K369-V460 HydrophobicContact CB-CG2 4.04Å; L370-V460 PolarHBondContact O-N 2.82Å; I372-V460 PolarHBondContact N-O 3.11Å; D458-V460 HydrophobicContact CB-CG2 4.46Å; V460-Y462 HydrophobicContact CB-CE2 3.89Å; V460-Y462 HydrophobicContact CG1-CD2 4.06Å; V460-Y462 HydrophobicContact CG1-CE1 4.03Å; V460-Y462 HydrophobicContact CG1-CE2 3.42Å; V460-Y462 VanDerWaalsContact CG1-CE2 3.42Å; V460-Y462 VanDerWaalsContact CG1-CZ 3.41Å; V460-T472 HydrophobicContact CG1-CG2 3.61Å; V460-V475 HydrophobicContact CG1-CG2 4.36Å; V460-V475 HydrophobicContact CG2-CG1 4.47Å; V460-E525 HydrophobicContact CG1-CB 4.33Å; V460-E525 HydrophobicContact CG1-CG 3.78Å; V460-E525 HydrophobicContact CG2-CB 3.55Å; V460-E525 HydrophobicContact CG2-CG 3.9Å
461	F	89.1	Confident	90.4	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	121.3	175.9	-65	-104.6	0	0	0	109.7	I372 L374 V459 V473 K474 K476 M638	I372-F461 HydrophobicContact CB-CD1 3.9Å; I372-F461 HydrophobicContact CB-CE1 4.07Å; I372-F461 HydrophobicContact CB-CG 4.33Å; I372-F461 HydrophobicContact CD1-CD1 4.4Å; I372-F461 HydrophobicContact CD1-CE1 3.73Å; I372-F461 HydrophobicContact CD1-CE2 4.22Å; I372-F461 HydrophobicContact CD1-CZ 3.62Å; I372-F461 HydrophobicContact CG1-CE1 4.48Å; I372-F461 HydrophobicContact CG2-CD1 3.7Å; I372-F461 HydrophobicContact CG2-CE1 3.76Å; I372-F461 CarbonylContact O-C 3.49Å; I372-F461 WeakPolarHBondContact O-CA 3.4Å; L374-F461 HydrophobicContact CD1-CB 4.44Å; L374-F461 HydrophobicContact CD1-CD1 4.26Å; L374-F461 HydrophobicContact CD2-CD1 4.27Å; L374-F461 HydrophobicContact CG-CD1 4.42Å; V459-F461 HydrophobicContact CG1-CD2 4.49Å; V459-F461 HydrophobicContact CG1-CE2 3.84Å; V459-F461 HydrophobicContact CG1-CZ 4.3Å; F461-V473 HydrophobicContact CB-CG2 3.96Å; F461-V473 VanDerWaalsContact O-CG2 3.29Å; F461-V473 WeakPolarHBondContact O-CG2 3.41Å; F461-V473 PolarHBondContact O-N 3.29Å; F461-K474 HydrophobicContact CB-CB 3.97Å; F461-K474 HydrophobicContact CD2-CB 3.99Å; F461-K474 HydrophobicContact CD2-CG 4.26Å; F461-K474 HydrophobicContact CG-CB 4.18Å; F461-K474 PolarHBondContact N-O 2.75Å; F461-K474 PolarHBondContact O-N 3.21Å; F461-K476 HydrophobicContact CE2-CD 3.96Å; F461-K476 HydrophobicContact CE2-CG 4.11Å; F461-K476 HydrophobicContact CZ-CD 4.45Å; F461-M638 HydrophobicContact CZ-SD 4.28Å
462	Y	91.2	Very high	90.3	Very high	28 Å²	28	39.3 Å²	39.3	11%	0.11	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	132.2	173.3	-64.6	-80.2	0	0	0	110.1	K369 D371 I372 L374 V460 M470 E471 T472 E525	K369-Y462 PolarHBondContact NZ-OH 2.99Å; D371-Y462 HydrophobicContact CB-CD2 4.27Å; D371-Y462 HydrophobicContact CB-CE2 4.09Å; D371-Y462 WeakPolarHBondContact OD1-CE2 3.28Å; I372-Y462 PolarHBondContact O-N 2.87Å; L374-Y462 WeakPolarHBondContact CB-O 3.18Å; L374-Y462 PolarHBondContact N-O 3.02Å; V460-Y462 HydrophobicContact CB-CE2 3.89Å; V460-Y462 HydrophobicContact CG1-CD2 4.06Å; V460-Y462 HydrophobicContact CG1-CE1 4.03Å; V460-Y462 HydrophobicContact CG1-CE2 3.42Å; V460-Y462 VanDerWaalsContact CG1-CE2 3.42Å; V460-Y462 VanDerWaalsContact CG1-CZ 3.41Å; Y462-M470 HydrophobicContact CD1-CB 4.33Å; Y462-E471 CarbonylContact C-O 3.58Å; Y462-E471 WeakPolarHBondContact CA-O 3.26Å; Y462-T472 HydrophobicContact CE1-CG2 4.4Å; Y462-T472 WeakPolarHBondContact CE1-OG1 3.47Å; Y462-E525 PolarHBondContact OH-OE2 3.05Å
463	S	89.9	Confident	90	Very high	13 Å²	13	40.7 Å²	40.7	9%	0.091	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	124.2	165.8	-177	0	0	0	0	109.2	D375 E471	D375-S463 PolarHBondContact O-OG 2.92Å; S463-E471 PolarHBondContact N-O 2.8Å; S463-E471 PolarHBondContact O-N 2.71Å
464	R	90.3	Very high	89.8	Confident	64 Å²	64	43.4 Å²	43.4	24%	0.242	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	118	178.9	-169.9	174.9	-178.4	-99.9	-6.9	110.6	I373 L374 D376 T469 M470	I373-R464 HydrophobicContact CG2-CB 4.21Å; L374-R464 WeakPolarHBondContact O-CB 2.93Å; L374-R464 PolarHBondContact O-N 3.2Å; D376-R464 PolarHBondContact N-O 3.21Å; R464-T469 WeakPolarHBondContact CA-O 3.21Å; R464-M470 HydrophobicContact CB-CE 3.96Å; R464-M470 HydrophobicContact CB-SD 3.45Å; R464-M470 WeakPolarHBondContact CB-SD 3.25Å; R464-M470 HydrophobicContact CG-CE 3.8Å; R464-M470 HydrophobicContact CG-SD 3.65Å
465	K	87.1	Confident	89.7	Confident	80 Å²	80	44.6 Å²	44.6	35%	0.348	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-74.3	155	173.7	-65.3	178.6	-172.9	162.9	0	112.2	D376 D467 G468 T469 E471	D376-K465 VanDerWaalsContact OD1-CA 3.23Å; D376-K465 WeakPolarHBondContact OD1-CA 3.43Å; K465-D467 VanDerWaalsContact CB-OD1 3.25Å; K465-D467 WeakPolarHBondContact CB-OD1 3.41Å; K465-D467 PolarHBondContact O-N 3.2Å; K465-D467 VanDerWaalsContact O-N 3.14Å; K465-G468 WeakPolarHBondContact O-CA 3.47Å; K465-G468 PolarHBondContact O-N 2.93Å; K465-T469 PolarHBondContact N-O 3.02Å; K465-E471 VanDerWaalsContact CE-OE2 3.32Å; K465-E471 WeakPolarHBondContact CE-OE2 3.24Å; K465-E471 IonicContact NZ-OE2 3.74Å; K465-E471 PolarHBondContact NZ-OE2 2.77Å
466	K	86	Confident	89.4	Confident	192 Å²	192	46.4 Å²	46.4	84%	0.835	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-31	173	-88.4	164	-166.3	-176	0	114.1	D376 G468	D376-K466 WeakPolarHBondContact OD2-CG 3.46Å; D376-K466 PolarHBondContact OD2-N 2.89Å; K466-G468 PolarHBondContact O-N 3.49Å
467	D	88.8	Confident	89.1	Confident	119 Å²	119	51 Å²	51	64%	0.636	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-6.5	175.7	64.8	10.7	0	0	0	113.7	K465 T469	K465-D467 VanDerWaalsContact CB-OD1 3.25Å; K465-D467 WeakPolarHBondContact CB-OD1 3.41Å; K465-D467 PolarHBondContact O-N 3.2Å; K465-D467 VanDerWaalsContact O-N 3.14Å; D467-T469 WeakPolarHBondContact OD1-CB 3.25Å; D467-T469 WeakPolarHBondContact OD1-CG2 3.33Å; D467-T469 PolarHBondContact OD1-N 3.06Å; D467-T469 PolarHBondContact OD1-OG1 3.37Å
468	G	85.6	Confident	89	Confident	28 Å²	28	53.9 Å²	53.9	29%	0.289	27%	0.272	S	S	.	.	S	Bend	trans	93.9	-4.8	178.8	0	0	0	0	0	115	K465 K466	K465-G468 WeakPolarHBondContact O-CA 3.47Å; K465-G468 PolarHBondContact O-N 2.93Å; K466-G468 PolarHBondContact O-N 3.49Å
469	T	89.6	Confident	88.8	Confident	69 Å²	69	54.5 Å²	54.5	42%	0.423	28%	0.275	S	S	.	.			trans	-68.3	146.5	176	60.2	0	0	0	0	111.5	R464 K465 D467	R464-T469 WeakPolarHBondContact CA-O 3.21Å; K465-T469 PolarHBondContact N-O 3.02Å; D467-T469 WeakPolarHBondContact OD1-CB 3.25Å; D467-T469 WeakPolarHBondContact OD1-CG2 3.33Å; D467-T469 PolarHBondContact OD1-N 3.06Å; D467-T469 PolarHBondContact OD1-OG1 3.37Å
470	M	90.5	Very high	89	Confident	82 Å²	82	54.4 Å²	54.4	40%	0.404	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	132.9	178.1	-66.7	-69.2	-165.6	0	0	109.5	I373 Y462 R464	I373-M470 HydrophobicContact CD1-CE 3.82Å; I373-M470 HydrophobicContact CG1-CE 4.18Å; I373-M470 HydrophobicContact CG2-CE 3.74Å; I373-M470 HydrophobicContact CG2-SD 4.22Å; Y462-M470 HydrophobicContact CD1-CB 4.33Å; R464-M470 HydrophobicContact CB-CE 3.96Å; R464-M470 HydrophobicContact CB-SD 3.45Å; R464-M470 WeakPolarHBondContact CB-SD 3.25Å; R464-M470 HydrophobicContact CG-CE 3.8Å; R464-M470 HydrophobicContact CG-SD 3.65Å
471	E	90.3	Very high	89	Confident	98 Å²	98	54.4 Å²	54.4	46%	0.458	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	129.6	175.6	-176.5	175.5	168.5	0	0	109.7	Y462 S463 K465 V473	Y462-E471 CarbonylContact C-O 3.58Å; Y462-E471 WeakPolarHBondContact CA-O 3.26Å; S463-E471 PolarHBondContact N-O 2.8Å; S463-E471 PolarHBondContact O-N 2.71Å; K465-E471 VanDerWaalsContact CE-OE2 3.32Å; K465-E471 WeakPolarHBondContact CE-OE2 3.24Å; K465-E471 IonicContact NZ-OE2 3.74Å; K465-E471 PolarHBondContact NZ-OE2 2.77Å; E471-V473 PolarHBondContact O-N 3.32Å
472	T	91.3	Very high	89.2	Confident	29 Å²	29	59.1 Å²	59.1	18%	0.178	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	118.5	175.7	-45.2	0	0	0	0	109.9	V460 Y462 V475 E525 S527	V460-T472 HydrophobicContact CG1-CG2 3.61Å; Y462-T472 HydrophobicContact CE1-CG2 4.4Å; Y462-T472 WeakPolarHBondContact CE1-OG1 3.47Å; T472-V475 HydrophobicContact CG2-CG2 3.9Å; T472-E525 HydrophobicContact CG2-CG 4.16Å; T472-S527 WeakPolarHBondContact CB-OG 3.47Å; T472-S527 WeakPolarHBondContact CG2-OG 3.11Å
473	V	89.3	Confident	89.4	Confident	29 Å²	29	58.9 Å²	58.9	18%	0.176	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	-22.2	-174.9	-67.7	0	0	0	0	113.6	L374 F461 E471 I634	L374-V473 HydrophobicContact CD1-CG2 4.14Å; F461-V473 HydrophobicContact CB-CG2 3.96Å; F461-V473 VanDerWaalsContact O-CG2 3.29Å; F461-V473 WeakPolarHBondContact O-CG2 3.41Å; F461-V473 PolarHBondContact O-N 3.29Å; E471-V473 PolarHBondContact O-N 3.32Å; V473-I634 HydrophobicContact CB-CB 4.49Å; V473-I634 HydrophobicContact CB-CG1 4.13Å; V473-I634 HydrophobicContact CG1-CG1 4.44Å; V473-I634 HydrophobicContact CG2-CB 4.43Å; V473-I634 HydrophobicContact CG2-CG1 4.13Å
474	K	87.4	Confident	89.8	Confident	58 Å²	58	58.2 Å²	58.2	25%	0.252	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	144.3	176.8	-171.1	170	-175.3	167.4	0	110.5	F461 S636	F461-K474 HydrophobicContact CB-CB 3.97Å; F461-K474 HydrophobicContact CD2-CB 3.99Å; F461-K474 HydrophobicContact CD2-CG 4.26Å; F461-K474 HydrophobicContact CG-CB 4.18Å; F461-K474 PolarHBondContact N-O 2.75Å; F461-K474 PolarHBondContact O-N 3.21Å; K474-S636 PolarHBondContact NZ-O 2.95Å; K474-S636 VanDerWaalsContact NZ-O 3.08Å
475	V	88.9	Confident	90.2	Very high	27 Å²	27	55.2 Å²	55.2	16%	0.164	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	126.5	172.8	-176.5	0	0	0	0	108	D458 V460 T472 K477 E525 P529	D458-V475 HydrophobicContact CB-CG1 4.2Å; V460-V475 HydrophobicContact CG1-CG2 4.36Å; V460-V475 HydrophobicContact CG2-CG1 4.47Å; T472-V475 HydrophobicContact CG2-CG2 3.9Å; V475-K477 HydrophobicContact CG1-CG 4.04Å; V475-E525 HydrophobicContact CG2-CG 3.86Å; V475-P529 HydrophobicContact CG2-CG 4.35Å
476	K	87.7	Confident	90.7	Very high	38 Å²	38	51.5 Å²	51.5	17%	0.165	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	106.3	174	-67.3	-176.2	179.4	177.5	0	109.1	V459 F461 H479	V459-K476 HydrophobicContact CB-CB 4.27Å; V459-K476 PolarHBondContact N-O 2.91Å; V459-K476 PolarHBondContact O-N 2.91Å; F461-K476 HydrophobicContact CE2-CD 3.96Å; F461-K476 HydrophobicContact CE2-CG 4.11Å; F461-K476 HydrophobicContact CZ-CD 4.45Å; K476-H479 HydrophobicContact CB-CB 4.18Å
477	K	88.1	Confident	91.3	Very high	111 Å²	111	43 Å²	43	48%	0.483	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-28.9	-175.4	-57.1	-171.2	173.8	-171.6	0	114.5	D458 V475	D458-K477 WeakPolarHBondContact OD1-CA 3.39Å; D458-K477 WeakPolarHBondContact OD1-CB 3.26Å; V475-K477 HydrophobicContact CG1-CG 4.04Å
478	S	87.6	Confident	91.7	Very high	61 Å²	61	38.2 Å²	38.2	43%	0.427	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	27.8	-175.1	60.4	0	0	0	0	113.9	R482 E505	S478-R482 PolarHBondContact O-NE 3.48Å; S478-R482 PolarHBondContact O-NH2 3.03Å; S478-E505 WeakPolarHBondContact CA-OE2 3.5Å; S478-E505 VanDerWaalsContact CB-OE2 3.25Å; S478-E505 WeakPolarHBondContact CB-OE2 3.35Å
479	H	87.9	Confident	92.2	Very high	16 Å²	16	38.5 Å²	38.5	7%	0.074	20%	0.2	C	C	.	.	S	Bend	trans	-90	-37.9	-179.5	-166.4	59	0	0	0	113.3	Y359 V459 K476 R482	Y359-H479 WeakPolarHBondContact CB-O 3.48Å; Y359-H479 AromaticContact CD1-CE1 3.78Å; Y359-H479 AromaticContact CD1-NE2 3.61Å; Y359-H479 AromaticContact CE1-CE1 3.63Å; Y359-H479 AromaticContact CE1-NE2 3.78Å; Y359-H479 AromaticContact CZ-CE1 3.99Å; V459-H479 HydrophobicContact CG2-CB 4.06Å; K476-H479 HydrophobicContact CB-CB 4.18Å; H479-R482 WeakPolarHBondContact O-CG 3.44Å
480	V	91.4	Very high	92.2	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.006	22%	0.215	C	C	.	.	S	Bend	trans	-86.2	146.7	-177.2	170.8	0	0	0	0	110.8	Y359 A361 E454 S457 V459 R482 K502	Y359-V480 CarbonylContact O-C 3.41Å; Y359-V480 VanDerWaalsContact O-CA 3.27Å; Y359-V480 WeakPolarHBondContact O-CA 3.28Å; Y359-V480 WeakPolarHBondContact O-CG1 3.41Å; A361-V480 HydrophobicContact CB-CG1 3.68Å; A361-V480 HydrophobicContact CB-CG2 4.01Å; E454-V480 WeakPolarHBondContact O-CG1 3.4Å; S457-V480 VanDerWaalsContact O-CB 3.22Å; S457-V480 WeakPolarHBondContact O-CB 3.5Å; S457-V480 WeakPolarHBondContact O-CG2 3.07Å; V459-V480 HydrophobicContact CG2-CG2 4.05Å; V480-R482 PolarHBondContact O-N 2.74Å; V480-K502 PolarHBondContact O-NZ 3.33Å
481	G	92.1	Very high	92.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	58.7	50.2	174.3	0	0	0	0	0	112.9	N357 Y358 Y359 M483 I498 K502	N357-G481 WeakPolarHBondContact OD1-CA 3.44Å; Y358-G481 PolarHBondContact O-N 3.14Å; Y359-G481 PolarHBondContact O-N 3.39Å; G481-M483 VanDerWaalsContact C-N 3.34Å; G481-I498 VanDerWaalsContact O-CD1 3.27Å; G481-I498 WeakPolarHBondContact O-CD1 3.46Å; G481-K502 WeakPolarHBondContact O-CE 3.17Å; G481-K502 PolarHBondContact O-NZ 3.14Å
482	R	92.5	Very high	92.3	Very high	99 Å²	99	34.9 Å²	34.9	37%	0.374	20%	0.204	S	C	.	.			trans	-76.4	-24.3	-175.1	-75.5	-171.4	169.9	-171.5	-4.8	113.9	Y358 Y359 S478 H479 V480	Y358-R482 PolarHBondContact O-N 2.98Å; Y358-R482 VanDerWaalsContact O-N 3.16Å; Y359-R482 HydrophobicContact CD2-CB 4.16Å; Y359-R482 HydrophobicContact CD2-CG 4.02Å; S478-R482 PolarHBondContact O-NE 3.48Å; S478-R482 PolarHBondContact O-NH2 3.03Å; H479-R482 WeakPolarHBondContact O-CG 3.44Å; V480-R482 PolarHBondContact O-N 2.74Å
483	M	95.6	Very high	92.4	Very high	22 Å²	22	35 Å²	35	11%	0.108	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.3	134.2	-174.5	-177.4	172.8	60	0	0	108.3	Y237 V240 Y358 G481 L485	Y237-M483 WeakPolarHBondContact O-CE 3.3Å; V240-M483 HydrophobicContact CG2-CE 3.43Å; V240-M483 VanDerWaalsContact CG2-CE 3.43Å; Y358-M483 HydrophobicContact CD1-CE 4.29Å; Y358-M483 HydrophobicContact CD2-CB 4.25Å; Y358-M483 HydrophobicContact CD2-CE 3.39Å; Y358-M483 HydrophobicContact CD2-CG 4.38Å; Y358-M483 HydrophobicContact CE1-CE 4.37Å; Y358-M483 HydrophobicContact CE2-CE 3.52Å; Y358-M483 HydrophobicContact CG-CE 3.79Å; Y358-M483 PolarHBondContact N-O 3.23Å; G481-M483 VanDerWaalsContact C-N 3.34Å; M483-L485 HydrophobicContact CE-CD1 3.91Å; M483-L485 HydrophobicContact CE-CG 4.26Å; M483-L485 HydrophobicContact CG-CD1 4.44Å; M483-L485 HydrophobicContact CG-CD2 3.65Å; M483-L485 HydrophobicContact CG-CG 3.81Å; M483-L485 HydrophobicContact SD-CD1 3.98Å; M483-L485 HydrophobicContact SD-CD2 3.83Å; M483-L485 HydrophobicContact SD-CG 3.99Å
484	V	97.9	Very high	92.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	112.8	176.9	177.2	0	0	0	0	107.6	V355 T356 N357 D496 I497 I498 Y501	V355-V484 HydrophobicContact CG1-CG1 3.19Å; T356-V484 CarbonylContact O-C 3.58Å; T356-V484 VanDerWaalsContact O-CA 3.3Å; T356-V484 WeakPolarHBondContact O-CA 3.11Å; N357-V484 HydrophobicContact CB-CG2 4.19Å; N357-V484 WeakPolarHBondContact OD1-CG2 3.41Å; V484-D496 WeakPolarHBondContact O-CA 3.45Å; V484-D496 VanDerWaalsContact O-OD1 3.09Å; V484-I497 HydrophobicContact CB-CG1 4.19Å; V484-I497 HydrophobicContact CG1-CD1 4.02Å; V484-I497 HydrophobicContact CG1-CG1 3.62Å; V484-I497 WeakPolarHBondContact O-CG1 3.39Å; V484-I497 PolarHBondContact O-N 3.37Å; V484-I498 HydrophobicContact CB-CB 4.37Å; V484-I498 HydrophobicContact CB-CD1 4.23Å; V484-I498 HydrophobicContact CG2-CD1 3.53Å; V484-Y501 HydrophobicContact CG1-CD2 4.12Å; V484-Y501 HydrophobicContact CG1-CE2 3.86Å
485	L	98.4	Very high	93.2	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	145.8	-173.5	-61.7	-174	0	0	0	112.2	Y233 V240 V355 T356 Y358 M483 R495 D496	Y233-L485 HydrophobicContact CD1-CD1 4.26Å; Y233-L485 HydrophobicContact CD2-CB 3.67Å; Y233-L485 HydrophobicContact CD2-CD1 4.37Å; Y233-L485 HydrophobicContact CE2-CB 4.36Å; Y233-L485 HydrophobicContact CG-CB 4.03Å; Y233-L485 HydrophobicContact CG-CD1 3.95Å; V240-L485 HydrophobicContact CG1-CD1 3.97Å; V240-L485 HydrophobicContact CG2-CD1 4.23Å; V355-L485 CarbonylContact C-O 3.48Å; V355-L485 WeakPolarHBondContact CA-O 3.07Å; T356-L485 PolarHBondContact N-O 2.9Å; T356-L485 PolarHBondContact O-N 3.26Å; Y358-L485 HydrophobicContact CE2-CD1 3.86Å; Y358-L485 HydrophobicContact CE2-CG 4.13Å; M483-L485 HydrophobicContact CE-CD1 3.91Å; M483-L485 HydrophobicContact CE-CG 4.26Å; M483-L485 HydrophobicContact CG-CD1 4.44Å; M483-L485 HydrophobicContact CG-CD2 3.65Å; M483-L485 HydrophobicContact CG-CG 3.81Å; M483-L485 HydrophobicContact SD-CD1 3.98Å; M483-L485 HydrophobicContact SD-CD2 3.83Å; M483-L485 HydrophobicContact SD-CG 3.99Å; L485-R495 WeakPolarHBondContact CA-O 3.38Å; L485-D496 HydrophobicContact CD2-CB 3.92Å
486	T	98.6	Very high	93.6	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.012	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	163.1	164.8	-167.7	0	0	0	0	110	V354 R495 I497	V354-T486 WeakPolarHBondContact O-CB 3.21Å; V354-T486 PolarHBondContact O-OG1 2.97Å; T486-R495 HydrophobicContact CG2-CB 4.24Å; T486-R495 PolarHBondContact N-O 3.19Å; T486-R495 PolarHBondContact O-N 2.91Å; T486-I497 HydrophobicContact CG2-CD1 4.1Å; T486-I497 HydrophobicContact CG2-CG2 4.06Å
487	K	98.1	Very high	94.1	Very high	13 Å²	13	40.9 Å²	40.9	6%	0.057	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	137	175.9	-177.1	177.8	172.2	-61.1	0	109.4	E223 N227 I231 S491	E223-K487 WeakPolarHBondContact OE1-CD 3.47Å; E223-K487 WeakPolarHBondContact OE1-CE 3.3Å; E223-K487 IonicContact OE1-NZ 3.88Å; E223-K487 PolarHBondContact OE1-NZ 3.49Å; E223-K487 IonicContact OE2-NZ 2.72Å; E223-K487 PolarHBondContact OE2-NZ 3.08Å; N227-K487 PolarHBondContact ND2-NZ 3.44Å; I231-K487 HydrophobicContact CB-CD 4.05Å; I231-K487 HydrophobicContact CB-CG 4.37Å; I231-K487 HydrophobicContact CD1-CD 4.18Å; I231-K487 HydrophobicContact CG1-CD 3.99Å; K487-S491 WeakPolarHBondContact CE-O 3.38Å; K487-S491 PolarHBondContact NZ-O 2.77Å
488	A	97.2	Very high	94.5	Very high	18 Å²	18	37 Å²	37	15%	0.149	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-73.6	141.6	177.4	0	0	0	0	0	111.4	G490 S491 G493 R495	A488-G490 PolarHBondContact O-N 2.76Å; A488-S491 WeakPolarHBondContact CB-OG 3.46Å; A488-S491 PolarHBondContact O-N 3.08Å; A488-S491 VanDerWaalsContact O-O 3.05Å; A488-G493 WeakPolarHBondContact CB-O 3.39Å; A488-G493 PolarHBondContact N-O 3.03Å; A488-R495 HydrophobicContact CB-CB 4.12Å
489	A	95.9	Very high	95	Very high	34 Å²	34	38.6 Å²	38.6	28%	0.281	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	131.3	176.6	0	0	0	0	0	111.2	E220 E223 S491	E220-A489 HydrophobicContact CG-CB 4.48Å; E223-A489 HydrophobicContact CB-CB 3.95Å; E223-A489 HydrophobicContact CG-CB 4.29Å; A489-S491 PolarHBondContact O-N 2.99Å; A489-S491 VanDerWaalsContact O-N 3.17Å
490	G	90.3	Very high	95.5	Very high	73 Å²	73	40.5 Å²	40.5	75%	0.753	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.4	5.3	176.2	0	0	0	0	0	115.9	A488	A488-G490 PolarHBondContact O-N 2.76Å
491	S	92	Very high	95.8	Very high	53 Å²	53	40.4 Å²	40.4	37%	0.371	23%	0.226	S	C	.	.	S	Bend	trans	-139.1	166.5	176.2	78.1	0	0	0	0	112.5	K487 A488 A489 G493	K487-S491 WeakPolarHBondContact CE-O 3.38Å; K487-S491 PolarHBondContact NZ-O 2.77Å; A488-S491 WeakPolarHBondContact CB-OG 3.46Å; A488-S491 PolarHBondContact O-N 3.08Å; A488-S491 VanDerWaalsContact O-O 3.05Å; A489-S491 PolarHBondContact O-N 2.99Å; A489-S491 VanDerWaalsContact O-N 3.17Å; S491-G493 PolarHBondContact OG-N 3.31Å
492	D	90.1	Very high	96	Very high	48 Å²	48	41.2 Å²	41.2	26%	0.257	23%	0.23	S	C	.	.	S	Bend	trans	-87.9	7.8	175	-59.7	-29	0	0	0	111.8	I231 K718 R720	I231-D492 HydrophobicContact CD1-CB 4.01Å; I231-D492 WeakPolarHBondContact CD1-O 3.41Å; D492-K718 IonicContact OD2-NZ 2.69Å; D492-K718 PolarHBondContact OD2-NZ 3.34Å; D492-K718 VanDerWaalsContact OD2-NZ 3.12Å; D492-R720 IonicContact OD1-NH2 3.77Å; D492-R720 IonicContact OD2-CZ 3.55Å; D492-R720 IonicContact OD2-NH2 2.73Å; D492-R720 PolarHBondContact OD2-NH2 3.14Å
493	G	93.5	Very high	96.2	Very high	30 Å²	30	38.3 Å²	38.3	31%	0.309	22%	0.22	S	C	.	.	S	Bend	trans	-88	168.8	-179.1	0	0	0	0	0	113.6	Y233 A488 S491	Y233-G493 PolarHBondContact OH-O 2.71Å; A488-G493 WeakPolarHBondContact CB-O 3.39Å; A488-G493 PolarHBondContact N-O 3.03Å; S491-G493 PolarHBondContact OG-N 3.31Å
494	R	95.2	Very high	96.2	Very high	141 Å²	141	41.8 Å²	41.8	53%	0.532	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	147.8	175	70	-176.2	-179.3	-179	2.7	112.5	Y233	Y233-R494 HydrophobicContact CD1-CB 4.41Å; Y233-R494 HydrophobicContact CE1-CB 3.61Å; Y233-R494 HydrophobicContact CE2-CB 3.99Å; Y233-R494 WeakPolarHBondContact OH-CA 3.38Å; Y233-R494 WeakPolarHBondContact OH-CB 3.47Å; Y233-R494 PolarHBondContact OH-N 2.85Å
495	R	97.6	Very high	95.8	Very high	58 Å²	58	45.6 Å²	45.6	22%	0.219	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	120.9	169.1	175.6	176.9	52.9	-177	-16.5	108.7	E220 L485 T486 A488 I497	E220-R495 IonicContact OE1-CZ 3.56Å; E220-R495 IonicContact OE1-NH1 3.45Å; E220-R495 PolarHBondContact OE1-NH1 2.89Å; E220-R495 IonicContact OE1-NH2 3.5Å; E220-R495 PolarHBondContact OE1-NH2 2.79Å; E220-R495 VanDerWaalsContact OE1-NH2 3.11Å; E220-R495 IonicContact OE2-NH2 2.71Å; L485-R495 WeakPolarHBondContact CA-O 3.38Å; T486-R495 HydrophobicContact CG2-CB 4.24Å; T486-R495 PolarHBondContact N-O 3.19Å; T486-R495 PolarHBondContact O-N 2.91Å; A488-R495 HydrophobicContact CB-CB 4.12Å; R495-I497 HydrophobicContact CG-CG2 3.74Å
496	D	97.9	Very high	95.4	Very high	78 Å²	78	48.5 Å²	48.5	42%	0.417	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	129.9	168.7	-166.9	-11.7	0	0	0	109.2	V484 L485 I498	V484-D496 WeakPolarHBondContact O-CA 3.45Å; V484-D496 VanDerWaalsContact O-OD1 3.09Å; L485-D496 HydrophobicContact CD2-CB 3.92Å; D496-I498 WeakPolarHBondContact OD1-CB 3.33Å; D496-I498 VanDerWaalsContact OD1-CG2 3.31Å; D496-I498 WeakPolarHBondContact OD1-CG2 3.21Å; D496-I498 PolarHBondContact OD1-N 3.38Å
497	I	98.3	Very high	95.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	30%	0.297	C	S	.	.			trans	-126.8	17.4	-177.5	62.5	172.9	0	0	0	111.9	V355 V484 T486 R495 D499 Q500 Y501	V355-I497 HydrophobicContact CG1-CD1 4.24Å; V355-I497 HydrophobicContact CG2-CD1 4Å; V484-I497 HydrophobicContact CB-CG1 4.19Å; V484-I497 HydrophobicContact CG1-CD1 4.02Å; V484-I497 HydrophobicContact CG1-CG1 3.62Å; V484-I497 WeakPolarHBondContact O-CG1 3.39Å; V484-I497 PolarHBondContact O-N 3.37Å; T486-I497 HydrophobicContact CG2-CD1 4.1Å; T486-I497 HydrophobicContact CG2-CG2 4.06Å; R495-I497 HydrophobicContact CG-CG2 3.74Å; I497-D499 PolarHBondContact O-N 2.97Å; I497-Q500 HydrophobicContact CB-CG 4.25Å; I497-Q500 VanDerWaalsContact O-CB 3.28Å; I497-Q500 WeakPolarHBondContact O-CB 3.24Å; I497-Q500 PolarHBondContact O-N 2.97Å; I497-Y501 HydrophobicContact CD1-CE2 4.08Å; I497-Y501 HydrophobicContact CG1-CE2 4.35Å
498	I	97.2	Very high	95	Very high	30 Å²	30	53 Å²	53	15%	0.154	32%	0.323	C	S	.	.	H	α-helix	trans	-57.6	-32.7	-178.9	-173.3	61.1	0	0	0	113	G481 V484 D496 Q500 Y501 K502	G481-I498 VanDerWaalsContact O-CD1 3.27Å; G481-I498 WeakPolarHBondContact O-CD1 3.46Å; V484-I498 HydrophobicContact CB-CB 4.37Å; V484-I498 HydrophobicContact CB-CD1 4.23Å; V484-I498 HydrophobicContact CG2-CD1 3.53Å; D496-I498 WeakPolarHBondContact OD1-CB 3.33Å; D496-I498 VanDerWaalsContact OD1-CG2 3.31Å; D496-I498 WeakPolarHBondContact OD1-CG2 3.21Å; D496-I498 PolarHBondContact OD1-N 3.38Å; I498-Q500 PolarHBondContact O-N 2.9Å; I498-Q500 VanDerWaalsContact O-N 3.16Å; I498-Y501 PolarHBondContact O-N 3.45Å; I498-K502 HydrophobicContact CD1-CD 4.29Å; I498-K502 HydrophobicContact CD1-CG 4.06Å; I498-K502 HydrophobicContact CG1-CG 4.2Å; I498-K502 PolarHBondContact O-N 2.92Å; I498-K502 VanDerWaalsContact O-N 3.1Å
499	D	97.6	Very high	94.9	Very high	93 Å²	93	56.7 Å²	56.7	50%	0.497	34%	0.337	S	S	.	.	H	α-helix	trans	-65.1	-16.5	177	71.1	-61	0	0	0	112.9	K438 I497	K438-D499 VanDerWaalsContact CE-O 3.23Å; K438-D499 WeakPolarHBondContact CE-O 3.35Å; K438-D499 PolarHBondContact NZ-O 3.36Å; I497-D499 PolarHBondContact O-N 2.97Å
500	Q	98.1	Very high	94.8	Very high	56 Å²	56	56.6 Å²	56.6	26%	0.262	33%	0.331	S	S	.	.	H	α-helix	trans	-80.8	-21.6	172.6	-56.7	-179.8	22.9	0	0	112.1	R353 V434 K438 I497 I498	R353-Q500 VanDerWaalsContact NH2-OE1 3.1Å; V434-Q500 HydrophobicContact CG1-CB 4.01Å; V434-Q500 VanDerWaalsContact CG1-O 3.23Å; V434-Q500 WeakPolarHBondContact CG1-O 3.39Å; K438-Q500 WeakPolarHBondContact CB-O 3.46Å; I497-Q500 HydrophobicContact CB-CG 4.25Å; I497-Q500 VanDerWaalsContact O-CB 3.28Å; I497-Q500 WeakPolarHBondContact O-CB 3.24Å; I497-Q500 PolarHBondContact O-N 2.97Å; I498-Q500 PolarHBondContact O-N 2.9Å; I498-Q500 VanDerWaalsContact O-N 3.16Å
501	Y	97.9	Very high	94.8	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-98.9	-34.4	-176.9	-79.7	-100.7	0	0	0	113.7	W395 E397 V414 V434 I437 K438 V455 V484 I497 I498	W395-Y501 HydrophobicContact CZ2-CD1 4.45Å; W395-Y501 AromaticContact CZ2-CE1 3.59Å; W395-Y501 HydrophobicContact CZ2-CE1 3.59Å; W395-Y501 AromaticContact CZ2-CZ 3.8Å; W395-Y501 AromaticContact NE1-CZ 3.93Å; W395-Y501 PolarHBondContact NE1-OH 3.4Å; E397-Y501 WeakPolarHBondContact OE1-CE2 3.49Å; E397-Y501 PolarHBondContact OE1-OH 3.24Å; V414-Y501 HydrophobicContact CG2-CE1 3.75Å; V414-Y501 WeakPolarHBondContact CG2-OH 3.21Å; V434-Y501 HydrophobicContact CG1-CD2 4.33Å; V434-Y501 HydrophobicContact CG1-CE2 4.22Å; I437-Y501 HydrophobicContact CG2-CD1 4.29Å; K438-Y501 VanDerWaalsContact CA-O 3.23Å; K438-Y501 WeakPolarHBondContact CA-O 3.48Å; K438-Y501 PolarHBondContact N-O 2.88Å; V455-Y501 HydrophobicContact CG1-CD1 4.08Å; V455-Y501 HydrophobicContact CG2-CD1 4.38Å; V484-Y501 HydrophobicContact CG1-CD2 4.12Å; V484-Y501 HydrophobicContact CG1-CE2 3.86Å; I497-Y501 HydrophobicContact CD1-CE2 4.08Å; I497-Y501 HydrophobicContact CG1-CE2 4.35Å; I498-Y501 PolarHBondContact O-N 3.45Å
502	K	95.9	Very high	94.8	Very high	17 Å²	17	62.1 Å²	62.1	7%	0.074	33%	0.331	C	S	.	.			trans	-149.3	159.4	-178.9	64	-179.8	-174.4	178.6	0	113.1	V455 N456 V480 G481 I498 E505	V455-K502 PolarHBondContact O-NZ 3.3Å; N456-K502 WeakPolarHBondContact OD1-CB 3.29Å; N456-K502 WeakPolarHBondContact OD1-CD 3.32Å; V480-K502 PolarHBondContact O-NZ 3.33Å; G481-K502 WeakPolarHBondContact O-CE 3.17Å; G481-K502 PolarHBondContact O-NZ 3.14Å; I498-K502 HydrophobicContact CD1-CD 4.29Å; I498-K502 HydrophobicContact CD1-CG 4.06Å; I498-K502 HydrophobicContact CG1-CG 4.2Å; I498-K502 PolarHBondContact O-N 2.92Å; I498-K502 VanDerWaalsContact O-N 3.1Å; K502-E505 WeakPolarHBondContact CE-OE1 3.41Å; K502-E505 IonicContact NZ-OE1 2.62Å; K502-E505 PolarHBondContact NZ-OE1 3.49Å
503	F	96.8	Very high	95	Very high	38 Å²	38	60.6 Å²	60.6	17%	0.167	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-76.5	160.3	173.1	-69.9	-76.4	0	0	0	111	K438 H439 E505 E509 E510 V513	K438-F503 HydrophobicContact CG-CD2 4.43Å; K438-F503 HydrophobicContact CG-CE2 3.99Å; K438-F503 HydrophobicContact CG-CZ 4.15Å; K438-F503 WeakPolarHBondContact O-CE2 3.22Å; H439-F503 AromaticContact CE1-CZ 3.63Å; H439-F503 AromaticContact ND1-CZ 3.81Å; F503-E505 PolarHBondContact O-N 3.19Å; F503-E509 HydrophobicContact CB-CB 4.06Å; F503-E509 HydrophobicContact CD1-CB 3.64Å; F503-E509 HydrophobicContact CD1-CG 4.2Å; F503-E509 HydrophobicContact CD2-CB 3.9Å; F503-E509 HydrophobicContact CE1-CB 4.01Å; F503-E509 HydrophobicContact CE1-CG 4.26Å; F503-E509 HydrophobicContact CE2-CB 4.25Å; F503-E509 HydrophobicContact CG-CB 3.58Å; F503-E509 HydrophobicContact CZ-CB 4.3Å; F503-E510 HydrophobicContact CB-CB 4.12Å; F503-V513 HydrophobicContact CD2-CG2 3.87Å; F503-V513 HydrophobicContact CE2-CG2 3.7Å
504	P	95	Very high	94.8	Very high	95 Å²	95	60 Å²	60	62%	0.617	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-56.9	136.9	176.7	-25.3	35.2	0	0	0	112.3	G506 S507	P504-G506 PolarHBondContact O-N 3.4Å; P504-S507 WeakPolarHBondContact O-CB 3.16Å; P504-S507 PolarHBondContact O-N 2.9Å; P504-S507 VanDerWaalsContact O-N 3.07Å; P504-S507 PolarHBondContact O-OG 3.12Å
505	E	90.9	Very high	94.5	Very high	80 Å²	80	58.1 Å²	58.1	37%	0.374	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	131.4	179	-58.7	-85.1	163.2	0	0	111.1	S478 K502 F503 S507 E510	S478-E505 WeakPolarHBondContact CA-OE2 3.5Å; S478-E505 VanDerWaalsContact CB-OE2 3.25Å; S478-E505 WeakPolarHBondContact CB-OE2 3.35Å; K502-E505 WeakPolarHBondContact CE-OE1 3.41Å; K502-E505 IonicContact NZ-OE1 2.62Å; K502-E505 PolarHBondContact NZ-OE1 3.49Å; F503-E505 PolarHBondContact O-N 3.19Å; E505-S507 VanDerWaalsContact C-N 3.34Å; E505-E510 WeakPolarHBondContact CA-OE1 3.49Å
506	G	88.9	Confident	94.2	Very high	62 Å²	62	58 Å²	58	64%	0.639	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	-1	-176.5	0	0	0	0	0	115.4	P504 E510	P504-G506 PolarHBondContact O-N 3.4Å; G506-E510 WeakPolarHBondContact CA-OE2 3.27Å; G506-E510 PolarHBondContact N-OE2 2.9Å
507	S	93.9	Very high	93.7	Very high	17 Å²	17	54.2 Å²	54.2	12%	0.119	29%	0.291	C	S	.	.			trans	-73.8	153.1	178.9	65.8	0	0	0	0	112.9	P504 E505 E509 E510 R511	P504-S507 WeakPolarHBondContact O-CB 3.16Å; P504-S507 PolarHBondContact O-N 2.9Å; P504-S507 VanDerWaalsContact O-N 3.07Å; P504-S507 PolarHBondContact O-OG 3.12Å; E505-S507 VanDerWaalsContact C-N 3.34Å; S507-E509 WeakPolarHBondContact CB-OE2 3.29Å; S507-E509 PolarHBondContact O-N 3.16Å; S507-E510 PolarHBondContact O-N 2.89Å; S507-E510 WeakPolarHBondContact OG-CB 3.27Å; S507-E510 PolarHBondContact OG-N 2.87Å; S507-E510 VanDerWaalsContact OG-N 3.16Å; S507-R511 PolarHBondContact O-N 2.78Å
508	P	94.4	Very high	93.3	Very high	91 Å²	91	56.2 Å²	56.2	59%	0.591	30%	0.3	S	S	*	.	H	α-helix	trans	-57.2	-35.3	171.2	-24.8	34.7	0	0	0	113.3	R511 T512	P508-R511 PolarHBondContact O-N 2.88Å; P508-T512 PolarHBondContact O-N 2.95Å; P508-T512 PolarHBondContact O-OG1 3.18Å
509	E	95.6	Very high	92.8	Very high	97 Å²	97	62.5 Å²	62.5	45%	0.453	33%	0.329	S	S	.	.	H	α-helix	trans	-66.3	-45.6	179.6	-65.3	76.1	-170.4	0	0	111.6	F503 S507 R511 T512 V513	F503-E509 HydrophobicContact CB-CB 4.06Å; F503-E509 HydrophobicContact CD1-CB 3.64Å; F503-E509 HydrophobicContact CD1-CG 4.2Å; F503-E509 HydrophobicContact CD2-CB 3.9Å; F503-E509 HydrophobicContact CE1-CB 4.01Å; F503-E509 HydrophobicContact CE1-CG 4.26Å; F503-E509 HydrophobicContact CE2-CB 4.25Å; F503-E509 HydrophobicContact CG-CB 3.58Å; F503-E509 HydrophobicContact CZ-CB 4.3Å; S507-E509 WeakPolarHBondContact CB-OE2 3.29Å; S507-E509 PolarHBondContact O-N 3.16Å; E509-R511 VanDerWaalsContact C-N 3.34Å; E509-R511 PolarHBondContact O-N 2.65Å; E509-T512 PolarHBondContact O-N 3.32Å; E509-V513 WeakPolarHBondContact O-CB 3.3Å; E509-V513 WeakPolarHBondContact O-CG2 3.43Å; E509-V513 PolarHBondContact O-N 3.11Å
510	E	94.2	Very high	92.3	Very high	32 Å²	32	62.1 Å²	62.1	15%	0.15	32%	0.323	C	S	.	.	H	α-helix	trans	-55.3	-50.1	174.4	176.6	-159.9	-137.7	0	0	110.9	F503 E505 G506 S507 T512 V513 L514	F503-E510 HydrophobicContact CB-CB 4.12Å; E505-E510 WeakPolarHBondContact CA-OE1 3.49Å; G506-E510 WeakPolarHBondContact CA-OE2 3.27Å; G506-E510 PolarHBondContact N-OE2 2.9Å; S507-E510 PolarHBondContact O-N 2.89Å; S507-E510 WeakPolarHBondContact OG-CB 3.27Å; S507-E510 PolarHBondContact OG-N 2.87Å; S507-E510 VanDerWaalsContact OG-N 3.16Å; E510-T512 VanDerWaalsContact C-N 3.32Å; E510-T512 PolarHBondContact O-N 3.49Å; E510-V513 PolarHBondContact O-N 2.95Å; E510-V513 VanDerWaalsContact O-N 3.16Å; E510-L514 HydrophobicContact CG-CD1 4.09Å; E510-L514 WeakPolarHBondContact O-CG 3.32Å; E510-L514 PolarHBondContact O-N 2.78Å
511	R	89.2	Confident	91.5	Very high	156 Å²	156	62.2 Å²	62.2	59%	0.589	34%	0.339	S	S	*	.	H	α-helix	trans	-58.9	-45.6	179.7	-174.7	178.6	-57.8	158.2	7.8	112	S507 P508 E509 V513 L514 E515	S507-R511 PolarHBondContact O-N 2.78Å; P508-R511 PolarHBondContact O-N 2.88Å; E509-R511 VanDerWaalsContact C-N 3.34Å; E509-R511 PolarHBondContact O-N 2.65Å; R511-V513 VanDerWaalsContact C-N 3.26Å; R511-V513 PolarHBondContact O-N 2.65Å; R511-L514 PolarHBondContact O-N 3Å; R511-E515 HydrophobicContact CG-CG 4.46Å; R511-E515 WeakPolarHBondContact CG-OE1 3.42Å; R511-E515 WeakPolarHBondContact O-CG 3.48Å; R511-E515 PolarHBondContact O-N 3.11Å
512	T	92.5	Very high	90.8	Very high	86 Å²	86	62.6 Å²	62.6	53%	0.528	34%	0.341	S	S	.	.	H	α-helix	trans	-60.7	-39.5	179.4	-54.8	0	0	0	0	111.2	P508 E509 E510 K516	P508-T512 PolarHBondContact O-N 2.95Å; P508-T512 PolarHBondContact O-OG1 3.18Å; E509-T512 PolarHBondContact O-N 3.32Å; E510-T512 VanDerWaalsContact C-N 3.32Å; E510-T512 PolarHBondContact O-N 3.49Å; T512-K516 WeakPolarHBondContact O-CB 3.12Å; T512-K516 PolarHBondContact O-N 3.11Å; T512-K516 VanDerWaalsContact O-N 3.08Å
513	V	93.8	Very high	90.1	Very high	15 Å²	15	68.5 Å²	68.5	9%	0.091	37%	0.367	C	S	.	.	H	α-helix	trans	-68.9	-41.4	179	162.1	0	0	0	0	112	F452 F503 E509 E510 R511 K516 A517	F452-V513 HydrophobicContact CE2-CG1 3.65Å; F452-V513 HydrophobicContact CZ-CG1 3.66Å; F503-V513 HydrophobicContact CD2-CG2 3.87Å; F503-V513 HydrophobicContact CE2-CG2 3.7Å; E509-V513 WeakPolarHBondContact O-CB 3.3Å; E509-V513 WeakPolarHBondContact O-CG2 3.43Å; E509-V513 PolarHBondContact O-N 3.11Å; E510-V513 PolarHBondContact O-N 2.95Å; E510-V513 VanDerWaalsContact O-N 3.16Å; R511-V513 VanDerWaalsContact C-N 3.26Å; R511-V513 PolarHBondContact O-N 2.65Å; V513-K516 PolarHBondContact O-N 2.81Å; V513-A517 PolarHBondContact O-N 3.26Å
514	L	90.3	Very high	89.4	Confident	17 Å²	17	68.7 Å²	68.7	9%	0.089	37%	0.368	C	S	.	.	H	α-helix	trans	-66	-44.9	175.9	-68.9	173.2	0	0	0	111.9	L368 F452 N456 E510 R511 K516 A517 E518	L368-L514 HydrophobicContact CD1-CD2 4.2Å; F452-L514 HydrophobicContact CE1-CD2 4.2Å; F452-L514 HydrophobicContact CZ-CD2 4.17Å; N456-L514 HydrophobicContact CB-CD2 4.36Å; E510-L514 HydrophobicContact CG-CD1 4.09Å; E510-L514 WeakPolarHBondContact O-CG 3.32Å; E510-L514 PolarHBondContact O-N 2.78Å; R511-L514 PolarHBondContact O-N 3Å; L514-K516 VanDerWaalsContact C-N 3.26Å; L514-K516 PolarHBondContact O-N 2.86Å; L514-A517 WeakPolarHBondContact O-CB 3.48Å; L514-A517 PolarHBondContact O-N 2.97Å; L514-A517 VanDerWaalsContact O-N 3.11Å; L514-E518 PolarHBondContact O-N 3.47Å
515	E	88.8	Confident	88.8	Confident	102 Å²	102	65.7 Å²	65.7	48%	0.477	35%	0.346	S	S	.	.	H	α-helix	trans	-57	-42.6	175.1	-74.7	172	-175.5	0	0	111.1	R511 E518 E519	R511-E515 HydrophobicContact CG-CG 4.46Å; R511-E515 WeakPolarHBondContact CG-OE1 3.42Å; R511-E515 WeakPolarHBondContact O-CG 3.48Å; R511-E515 PolarHBondContact O-N 3.11Å; E515-E518 WeakPolarHBondContact O-CB 3.4Å; E515-E518 PolarHBondContact O-N 3.4Å; E515-E519 PolarHBondContact O-N 2.9Å
516	K	90.3	Very high	88.4	Confident	55 Å²	55	69.1 Å²	69.1	24%	0.239	36%	0.36	C	S	.	.	H	α-helix	trans	-66.3	-38.3	175.9	-178.5	172.1	179.5	164.9	0	113.3	Q441 T512 V513 L514 E518 E519 F520	Q441-K516 VanDerWaalsContact OE1-CE 3.24Å; T512-K516 WeakPolarHBondContact O-CB 3.12Å; T512-K516 PolarHBondContact O-N 3.11Å; T512-K516 VanDerWaalsContact O-N 3.08Å; V513-K516 PolarHBondContact O-N 2.81Å; L514-K516 VanDerWaalsContact C-N 3.26Å; L514-K516 PolarHBondContact O-N 2.86Å; K516-E518 VanDerWaalsContact C-N 3.25Å; K516-E518 PolarHBondContact O-N 3.39Å; K516-E519 WeakPolarHBondContact O-CB 3.48Å; K516-E519 PolarHBondContact O-N 3.21Å; K516-F520 HydrophobicContact CD-CE2 4.38Å; K516-F520 HydrophobicContact CG-CD2 4.25Å; K516-F520 HydrophobicContact CG-CE2 3.79Å; K516-F520 VanDerWaalsContact O-CD2 3.26Å; K516-F520 WeakPolarHBondContact O-CD2 3.41Å; K516-F520 PolarHBondContact O-N 3.22Å
517	A	88.9	Confident	88.1	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-62.9	-34.9	174.5	0	0	0	0	0	111.4	L368 I442 F452 V513 L514 F520 G521 C522	L368-A517 HydrophobicContact CD1-CB 3.91Å; I442-A517 HydrophobicContact CD1-CB 3.92Å; F452-A517 HydrophobicContact CD1-CB 4.22Å; F452-A517 HydrophobicContact CE1-CB 3.56Å; F452-A517 HydrophobicContact CZ-CB 4.01Å; V513-A517 PolarHBondContact O-N 3.26Å; L514-A517 WeakPolarHBondContact O-CB 3.48Å; L514-A517 PolarHBondContact O-N 2.97Å; L514-A517 VanDerWaalsContact O-N 3.11Å; A517-F520 PolarHBondContact O-N 2.93Å; A517-G521 PolarHBondContact O-N 2.96Å; A517-C522 HydrophobicContact CB-CB 4.4Å; A517-C522 WeakPolarHBondContact O-CB 3.45Å; A517-C522 PolarHBondContact O-N 3.45Å
518	E	88.1	Confident	87.5	Confident	42 Å²	42	72.3 Å²	72.3	20%	0.196	37%	0.372	C	S	.	.	H	α-helix	trans	-63.5	-38.6	172.9	-63.8	-167.3	126.6	0	0	112.7	L514 E515 K516 F520 G521 C522 Q524 K526	L514-E518 PolarHBondContact O-N 3.47Å; E515-E518 WeakPolarHBondContact O-CB 3.4Å; E515-E518 PolarHBondContact O-N 3.4Å; K516-E518 VanDerWaalsContact C-N 3.25Å; K516-E518 PolarHBondContact O-N 3.39Å; E518-F520 PolarHBondContact O-N 3.25Å; E518-G521 PolarHBondContact O-N 3.39Å; E518-C522 WeakPolarHBondContact CA-O 2.94Å; E518-Q524 HydrophobicContact CG-CB 4.4Å; E518-Q524 VanDerWaalsContact OE1-CB 3.23Å; E518-Q524 WeakPolarHBondContact OE1-CB 3.47Å; E518-Q524 PolarHBondContact OE1-N 3.38Å; E518-K526 VanDerWaalsContact CD-CE 3.47Å; E518-K526 WeakPolarHBondContact OE1-CE 3.47Å; E518-K526 IonicContact OE1-NZ 3.12Å; E518-K526 PolarHBondContact OE1-NZ 2.97Å; E518-K526 WeakPolarHBondContact OE2-CE 3.39Å; E518-K526 IonicContact OE2-NZ 2.74Å; E518-K526 PolarHBondContact OE2-NZ 3.01Å
519	E	88.6	Confident	87.1	Confident	162 Å²	162	69.1 Å²	69.1	76%	0.757	35%	0.352	S	S	*	.	H	α-helix	trans	-59.8	-26.8	175.1	-64.7	179.2	176.4	0	0	112.5	E515 K516	E515-E519 PolarHBondContact O-N 2.9Å; K516-E519 WeakPolarHBondContact O-CB 3.48Å; K516-E519 PolarHBondContact O-N 3.21Å
520	F	86.7	Confident	86.5	Confident	85 Å²	85	68 Å²	68	37%	0.373	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	6.8	176.7	-65	-53	0	0	0	114.4	I442 C443 K516 A517 E518	I442-F520 HydrophobicContact CD1-CB 3.87Å; I442-F520 HydrophobicContact CG1-CB 3.63Å; I442-F520 HydrophobicContact CG1-CD2 3.78Å; I442-F520 HydrophobicContact CG1-CG 4.07Å; C443-F520 HydrophobicContact CB-CD1 3.7Å; C443-F520 HydrophobicContact CB-CE1 3.68Å; C443-F520 HydrophobicContact CB-CE2 4.47Å; C443-F520 HydrophobicContact CB-CG 4.14Å; C443-F520 HydrophobicContact CB-CZ 4.08Å; C443-F520 VanDerWaalsContact SG-CZ 3.55Å; K516-F520 HydrophobicContact CD-CE2 4.38Å; K516-F520 HydrophobicContact CG-CD2 4.25Å; K516-F520 HydrophobicContact CG-CE2 3.79Å; K516-F520 VanDerWaalsContact O-CD2 3.26Å; K516-F520 WeakPolarHBondContact O-CD2 3.41Å; K516-F520 PolarHBondContact O-N 3.22Å; A517-F520 PolarHBondContact O-N 2.93Å; E518-F520 PolarHBondContact O-N 3.25Å
521	G	81.1	Confident	86	Confident	57 Å²	57	75.3 Å²	75.3	59%	0.588	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.2	-1.2	169.4	0	0	0	0	0	115.7	A517 E518	A517-G521 PolarHBondContact O-N 2.96Å; E518-G521 PolarHBondContact O-N 3.39Å
522	C	82.6	Confident	86	Confident	9 Å²	9	69.2 Å²	69.2	6%	0.061	37%	0.37	C	S	.	.			trans	-67.1	152	167.3	-66.9	0	0	0	0	110.5	L368 I442 A517 E518	L368-C522 HydrophobicContact CB-CB 4.48Å; L368-C522 HydrophobicContact CD1-CB 3.56Å; L368-C522 HydrophobicContact CG-CB 3.76Å; I442-C522 WeakPolarHBondContact CD1-SG 3.44Å; A517-C522 HydrophobicContact CB-CB 4.4Å; A517-C522 WeakPolarHBondContact O-CB 3.45Å; A517-C522 PolarHBondContact O-N 3.45Å; E518-C522 WeakPolarHBondContact CA-O 2.94Å
523	K	81.9	Confident	86	Confident	141 Å²	141	66.8 Å²	66.8	61%	0.613	35%	0.354	S	S	*	.			trans	-120.2	121.8	178.9	-53.8	173.8	-178.5	167.8	0	109.8	N367	N367-K523 VanDerWaalsContact OD1-CA 3.3Å; N367-K523 WeakPolarHBondContact OD1-CA 3.27Å; N367-K523 WeakPolarHBondContact OD1-CB 3.39Å; N367-K523 PolarHBondContact OD1-N 2.98Å; N367-K523 PolarHBondContact OD1-O 2.88Å; N367-K523 VanDerWaalsContact OD1-O 3.05Å
524	Q	81.5	Confident	86	Confident	42 Å²	42	66.2 Å²	66.2	20%	0.196	35%	0.35	C	S	.	.			trans	-97.4	152.7	171.1	-162.7	175.5	25.4	0	0	111.4	D458 E518 K526	D458-Q524 WeakPolarHBondContact OD2-CG 3.37Å; D458-Q524 PolarHBondContact OD2-NE2 3.41Å; E518-Q524 HydrophobicContact CG-CB 4.4Å; E518-Q524 VanDerWaalsContact OE1-CB 3.23Å; E518-Q524 WeakPolarHBondContact OE1-CB 3.47Å; E518-Q524 PolarHBondContact OE1-N 3.38Å; Q524-K526 PolarHBondContact O-N 2.73Å
525	E	82.9	Confident	86.2	Confident	32 Å²	32	68.7 Å²	68.7	15%	0.15	36%	0.363	C	S	.	.			trans	-82.2	109.3	165.8	179.6	59.5	-111.6	0	0	110.1	V460 Y462 T472 V475 S527	V460-E525 HydrophobicContact CG1-CB 4.33Å; V460-E525 HydrophobicContact CG1-CG 3.78Å; V460-E525 HydrophobicContact CG2-CB 3.55Å; V460-E525 HydrophobicContact CG2-CG 3.9Å; Y462-E525 PolarHBondContact OH-OE2 3.05Å; T472-E525 HydrophobicContact CG2-CG 4.16Å; V475-E525 HydrophobicContact CG2-CG 3.86Å; E525-S527 VanDerWaalsContact CG-OG 3.26Å; E525-S527 WeakPolarHBondContact CG-OG 3.32Å; E525-S527 WeakPolarHBondContact OE1-CB 3.19Å; E525-S527 PolarHBondContact OE1-N 2.61Å; E525-S527 VanDerWaalsContact OE1-N 3.08Å; E525-S527 PolarHBondContact OE1-OG 3Å
526	K	81.3	Confident	86.4	Confident	152 Å²	152	64.8 Å²	64.8	66%	0.661	35%	0.347	S	S	*	.			trans	-86.6	-6.2	-177.8	-62.7	-171.1	-179.8	-171.8	0	113.6	E518 Q524	E518-K526 VanDerWaalsContact CD-CE 3.47Å; E518-K526 WeakPolarHBondContact OE1-CE 3.47Å; E518-K526 IonicContact OE1-NZ 3.12Å; E518-K526 PolarHBondContact OE1-NZ 2.97Å; E518-K526 WeakPolarHBondContact OE2-CE 3.39Å; E518-K526 IonicContact OE2-NZ 2.74Å; E518-K526 PolarHBondContact OE2-NZ 3.01Å; Q524-K526 PolarHBondContact O-N 2.73Å
527	S	83.1	Confident	86.6	Confident	34 Å²	34	65.5 Å²	65.5	24%	0.238	36%	0.355	C	S	.	.			trans	-64.6	140.2	177	58	0	0	0	0	111.5	T472 E525 P529	T472-S527 WeakPolarHBondContact CB-OG 3.47Å; T472-S527 WeakPolarHBondContact CG2-OG 3.11Å; E525-S527 VanDerWaalsContact CG-OG 3.26Å; E525-S527 WeakPolarHBondContact CG-OG 3.32Å; E525-S527 WeakPolarHBondContact OE1-CB 3.19Å; E525-S527 PolarHBondContact OE1-N 2.61Å; E525-S527 VanDerWaalsContact OE1-N 3.08Å; E525-S527 PolarHBondContact OE1-OG 3Å; S527-P529 VanDerWaalsContact C-CD 3.41Å; S527-P529 WeakPolarHBondContact O-CD 3.47Å
528	S	82.6	Confident	86.8	Confident	112 Å²	112	66.6 Å²	66.6	78%	0.783	36%	0.361	S	S	*	.			trans	-119.6	71.6	173.6	-178.9	0	0	0	0	108.1
529	P	84.4	Confident	86.9	Confident	24 Å²	24	66 Å²	66	16%	0.156	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-58.1	138.4	178.6	25.1	-32.8	0	0	0	109.5	V475 S527 E531	V475-P529 HydrophobicContact CG2-CG 4.35Å; S527-P529 VanDerWaalsContact C-CD 3.41Å; S527-P529 WeakPolarHBondContact O-CD 3.47Å; P529-E531 PolarHBondContact O-N 3.4Å
530	P	83.9	Confident	86.9	Confident	74 Å²	74	63.1 Å²	63.1	48%	0.481	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-56.5	134.5	179.2	-27.1	33.7	0	0	0	111.9
531	E	84.1	Confident	86.9	Confident	185 Å²	185	60.6 Å²	60.6	86%	0.864	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-63.1	148.7	179.8	-65.6	-167.9	155.7	0	0	111.7	P529	P529-E531 PolarHBondContact O-N 3.4Å
532	A	87.9	Confident	87.3	Confident	27 Å²	27	65.4 Å²	65.4	22%	0.223	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-74.1	146.9	171	0	0	0	0	0	109.6	V534 I628 R633 V635	A532-V534 VanDerWaalsContact C-N 3.28Å; A532-I628 HydrophobicContact CB-CD1 3.99Å; A532-R633 HydrophobicContact CB-CB 4.1Å; A532-V635 HydrophobicContact CB-CG1 3.81Å
533	D	92.6	Very high	87.8	Confident	36 Å²	36	65.4 Å²	65.4	19%	0.193	35%	0.351	C	S	.	.	S	Bend	trans	-93.4	13.1	178.2	59.1	-9	0	0	0	113.3	N557 Q558 S559 R563 I628	D533-N557 PolarHBondContact O-OD1 2.83Å; D533-Q558 PolarHBondContact O-N 2.95Å; D533-S559 WeakPolarHBondContact OD2-CB 3.47Å; D533-R563 IonicContact OD1-NE 2.75Å; D533-R563 PolarHBondContact OD1-NE 2.88Å; D533-R563 IonicContact OD2-CZ 3.12Å; D533-R563 IonicContact OD2-NE 3.69Å; D533-R563 PolarHBondContact OD2-NE 3.49Å; D533-R563 IonicContact OD2-NH2 2.68Å; D533-R563 PolarHBondContact OD2-NH2 2.87Å; D533-I628 WeakPolarHBondContact OD1-CD1 3.49Å
534	V	94.6	Very high	88.3	Confident	3 Å²	3	61.3 Å²	61.3	2%	0.018	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	126.4	172	-179.9	0	0	0	0	108.8	A532 F555 V556 N557 R563 V565 I628 V635	A532-V534 VanDerWaalsContact C-N 3.28Å; V534-F555 HydrophobicContact CG1-CB 4.3Å; V534-V556 CarbonylContact C-O 3.52Å; V534-V556 VanDerWaalsContact CA-O 3.27Å; V534-V556 WeakPolarHBondContact CA-O 3.43Å; V534-N557 HydrophobicContact CG2-CB 4.22Å; V534-R563 HydrophobicContact CG2-CB 3.72Å; V534-R563 HydrophobicContact CG2-CG 3.82Å; V534-V565 HydrophobicContact CG1-CG2 4.09Å; V534-V565 HydrophobicContact CG2-CG2 4.45Å; V534-I628 HydrophobicContact CB-CD1 3.88Å; V534-I628 HydrophobicContact CG2-CD1 3.82Å; V534-V635 HydrophobicContact CB-CG1 4.19Å; V534-V635 WeakPolarHBondContact O-CG1 3.47Å
535	D	93.7	Very high	88.7	Confident	68 Å²	68	60.1 Å²	60.1	36%	0.364	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	149.7	171.3	-64.2	-52.1	0	0	0	111.2	F555 V556 Q558	D535-F555 CarbonylContact O-C 3.49Å; D535-F555 WeakPolarHBondContact O-CA 3.5Å; D535-V556 HydrophobicContact CB-CB 4.3Å; D535-V556 PolarHBondContact N-O 2.8Å; D535-V556 PolarHBondContact O-N 3.34Å; D535-Q558 PolarHBondContact OD2-NE2 3.06Å
536	V	94.4	Very high	89	Confident	21 Å²	21	59.6 Å²	59.6	13%	0.127	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	119.8	171.5	179.5	0	0	0	0	107.8	L538 V553 E554 F555 V624 V635 A637	V536-L538 HydrophobicContact CG1-CD2 4.24Å; V536-V553 HydrophobicContact CG1-CG1 3.74Å; V536-E554 WeakPolarHBondContact CA-O 3.49Å; V536-F555 HydrophobicContact CG2-CD1 3.76Å; V536-F555 HydrophobicContact CG2-CE1 3.77Å; V536-V624 HydrophobicContact CG1-CB 3.97Å; V536-V624 HydrophobicContact CG1-CG1 3.74Å; V536-V635 HydrophobicContact CG2-CB 3.79Å; V536-V635 HydrophobicContact CG2-CG2 3.7Å; V536-A637 HydrophobicContact CB-CB 3.97Å; V536-A637 HydrophobicContact CG1-CB 3.8Å; V536-A637 WeakPolarHBondContact O-CB 3.45Å
537	V	94.2	Very high	89.6	Confident	69 Å²	69	55.9 Å²	55.9	42%	0.418	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	127.6	-179	-176.1	0	0	0	0	108.7	E554 V556	V537-E554 HydrophobicContact CB-CB 4.29Å; V537-E554 PolarHBondContact N-O 3.25Å; V537-E554 PolarHBondContact O-N 3.3Å; V537-V556 HydrophobicContact CG2-CG2 4.27Å
538	L	93.4	Very high	90.1	Very high	23 Å²	23	58.8 Å²	58.8	12%	0.12	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-101.2	144.4	176.4	-55.8	-176.1	0	0	0	109.7	V536 F551 V553 V624 A637 K639	V536-L538 HydrophobicContact CG1-CD2 4.24Å; L538-F551 HydrophobicContact CD2-CZ 3.99Å; L538-V553 HydrophobicContact CD2-CG1 4.1Å; L538-V553 HydrophobicContact CD2-CG2 4.17Å; L538-V624 HydrophobicContact CD2-CB 4.3Å; L538-V624 HydrophobicContact CD2-CG2 3.58Å; L538-A637 HydrophobicContact CD1-CB 3.91Å; L538-A637 HydrophobicContact CD2-CB 4.31Å; L538-A637 HydrophobicContact CG-CB 3.8Å; L538-K639 HydrophobicContact CB-CB 4.13Å; L538-K639 HydrophobicContact CB-CD 4.17Å; L538-K639 HydrophobicContact CD1-CB 3.61Å
539	P	90.5	Very high	90.7	Very high	30 Å²	30	54.3 Å²	54.3	20%	0.195	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-74	153.9	-173.5	31.5	-31.8	0	0	0	111	L541 F551 N552 K639	P539-L541 HydrophobicContact CB-CD2 4.23Å; P539-L541 HydrophobicContact CB-CG 4.3Å; P539-L541 HydrophobicContact CG-CD1 4.04Å; P539-L541 HydrophobicContact CG-CD2 4.16Å; P539-L541 HydrophobicContact CG-CG 4.02Å; P539-F551 HydrophobicContact CG-CD2 4.04Å; P539-F551 HydrophobicContact CG-CE2 4.1Å; P539-N552 VanDerWaalsContact CD-O 3.25Å; P539-N552 WeakPolarHBondContact CD-O 3.06Å; P539-K639 WeakPolarHBondContact O-CD 3.23Å; P539-K639 WeakPolarHBondContact O-CE 3.48Å; P539-K639 PolarHBondContact O-NZ 3.19Å; P539-K639 VanDerWaalsContact O-NZ 3.11Å
540	T	86.9	Confident	91.3	Very high	101 Å²	101	58 Å²	58	62%	0.62	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-84.4	130.7	162	-57.9	0	0	0	0	108.9	K639	T540-K639 VanDerWaalsContact CA-NZ 3.31Å; T540-K639 PolarHBondContact OG1-NZ 3.36Å; T540-K639 VanDerWaalsContact OG1-NZ 3.1Å
541	L	88.3	Confident	91.8	Very high	33 Å²	33	54.5 Å²	54.5	17%	0.173	30%	0.298	C	S	.	.			trans	-132	131.1	-170.1	-65.5	173.7	0	0	0	108.7	P539 I543 F549 F551 V641	P539-L541 HydrophobicContact CB-CD2 4.23Å; P539-L541 HydrophobicContact CB-CG 4.3Å; P539-L541 HydrophobicContact CG-CD1 4.04Å; P539-L541 HydrophobicContact CG-CD2 4.16Å; P539-L541 HydrophobicContact CG-CG 4.02Å; L541-I543 HydrophobicContact CB-CD1 3.67Å; L541-I543 HydrophobicContact CB-CG1 4.06Å; L541-I543 HydrophobicContact CD1-CD1 3.91Å; L541-I543 HydrophobicContact CD2-CD1 4.5Å; L541-I543 HydrophobicContact CG-CD1 4.23Å; L541-F549 HydrophobicContact CD1-CD2 4.24Å; L541-F549 HydrophobicContact CD1-CE2 4.13Å; L541-F551 HydrophobicContact CD1-CD2 3.88Å; L541-F551 HydrophobicContact CD1-CE2 4.45Å; L541-V641 HydrophobicContact CB-CG1 4.13Å; L541-V641 HydrophobicContact CB-CG2 4.44Å; L541-V641 HydrophobicContact CD1-CG2 4.23Å
542	E	89.2	Confident	92.3	Very high	158 Å²	158	48 Å²	48	74%	0.738	27%	0.269	S	S	*	.			trans	-114.1	109.4	168.9	-68.8	178.3	-173	0	0	106.5
543	I	91.9	Very high	92.7	Very high	9 Å²	9	46.7 Å²	46.7	5%	0.046	26%	0.259	C	S	.	.			trans	-135.4	135.3	-169	-59.1	164.2	0	0	0	108.6	L541 D547 F549 V641 L643 H644	L541-I543 HydrophobicContact CB-CD1 3.67Å; L541-I543 HydrophobicContact CB-CG1 4.06Å; L541-I543 HydrophobicContact CD1-CD1 3.91Å; L541-I543 HydrophobicContact CD2-CD1 4.5Å; L541-I543 HydrophobicContact CG-CD1 4.23Å; I543-D547 HydrophobicContact CG2-CB 3.97Å; I543-F549 HydrophobicContact CD1-CB 3.93Å; I543-F549 HydrophobicContact CD1-CD1 3.64Å; I543-F549 HydrophobicContact CD1-CD2 3.36Å; I543-F549 HydrophobicContact CD1-CE1 3.85Å; I543-F549 HydrophobicContact CD1-CE2 3.59Å; I543-F549 HydrophobicContact CD1-CG 3.36Å; I543-F549 HydrophobicContact CD1-CZ 3.81Å; I543-F549 HydrophobicContact CG1-CB 4.22Å; I543-F549 HydrophobicContact CG1-CD1 4.36Å; I543-F549 HydrophobicContact CG1-CD2 4.49Å; I543-F549 HydrophobicContact CG1-CG 4.14Å; I543-F549 HydrophobicContact CG2-CD1 3.83Å; I543-F549 HydrophobicContact CG2-CE1 4.29Å; I543-F549 HydrophobicContact CG2-CG 4.36Å; I543-V641 HydrophobicContact CD1-CG1 4.17Å; I543-L643 HydrophobicContact CB-CD2 3.8Å; I543-L643 HydrophobicContact CG2-CD2 3.64Å; I543-L643 CarbonylContact O-C 3.57Å; I543-L643 WeakPolarHBondContact O-CA 3.41Å; I543-H644 PolarHBondContact O-N 2.71Å
544	S	92.1	Very high	92.9	Very high	55 Å²	55	47.3 Å²	47.3	39%	0.385	26%	0.261	S	S	.	.	B	Isolated β-bridge	trans	-88.2	154	174.7	-46.7	0	0	0	0	111.5	G546 D547 H644	S544-G546 PolarHBondContact O-N 2.92Å; S544-G546 VanDerWaalsContact O-N 3.13Å; S544-D547 WeakPolarHBondContact CB-OD2 3.48Å; S544-D547 PolarHBondContact N-OD2 3.32Å; S544-D547 VanDerWaalsContact N-OD2 3.13Å; S544-D547 PolarHBondContact O-N 3.33Å; S544-D547 PolarHBondContact OG-OD2 2.97Å; S544-H644 WeakPolarHBondContact CA-O 3.44Å
545	V	91.5	Very high	93	Very high	16 Å²	16	47.2 Å²	47.2	10%	0.097	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	121	172	176.6	0	0	0	0	109.4	L611 L614 A618 L643 H644 T645 F672	V545-L611 HydrophobicContact CG1-CD1 3.81Å; V545-L614 HydrophobicContact CG1-CD1 3.81Å; V545-A618 HydrophobicContact CG2-CB 3.97Å; V545-L643 HydrophobicContact CG2-CB 3.62Å; V545-L643 HydrophobicContact CG2-CD1 4.39Å; V545-H644 PolarHBondContact N-O 3.41Å; V545-T645 HydrophobicContact CG2-CG2 4.16Å; V545-F672 HydrophobicContact CB-CZ 4.35Å; V545-F672 HydrophobicContact CG1-CE1 3.99Å; V545-F672 HydrophobicContact CG1-CZ 3.75Å; V545-F672 WeakPolarHBondContact O-CE1 3.38Å
546	G	89.3	Confident	93.2	Very high	22 Å²	22	46 Å²	46	23%	0.227	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	102.6	-5	177.8	0	0	0	0	0	115	S544 S607 Y610	S544-G546 PolarHBondContact O-N 2.92Å; S544-G546 VanDerWaalsContact O-N 3.13Å; G546-S607 WeakPolarHBondContact O-CB 3.34Å; G546-Y610 PolarHBondContact N-OH 2.9Å
547	D	92.4	Very high	93.4	Very high	73 Å²	73	45.1 Å²	45.1	39%	0.39	25%	0.25	S	C	.	.			trans	-82.4	145.2	179.6	-67.4	-19.7	0	0	0	113	I543 S544 Y610	I543-D547 HydrophobicContact CG2-CB 3.97Å; S544-D547 WeakPolarHBondContact CB-OD2 3.48Å; S544-D547 PolarHBondContact N-OD2 3.32Å; S544-D547 VanDerWaalsContact N-OD2 3.13Å; S544-D547 PolarHBondContact O-N 3.33Å; S544-D547 PolarHBondContact OG-OD2 2.97Å; D547-Y610 PolarHBondContact N-OH 3.13Å; D547-Y610 PolarHBondContact O-OH 3.09Å
548	D	94.8	Very high	93.4	Very high	96 Å²	96	47.7 Å²	47.7	51%	0.513	26%	0.257	S	S	.	.			trans	-82.9	144.9	162.1	-64.7	-5.1	0	0	0	109	I605 E606 S607	D548-I605 CarbonylContact C-O 3.54Å; D548-I605 WeakPolarHBondContact CA-O 3.46Å; D548-E606 WeakPolarHBondContact OD1-CA 3.29Å; D548-S607 VanDerWaalsContact OD1-CB 3.24Å; D548-S607 WeakPolarHBondContact OD1-CB 3.36Å; D548-S607 PolarHBondContact OD1-N 2.82Å; D548-S607 PolarHBondContact OD1-OG 3.03Å
549	F	95.6	Very high	93.5	Very high	18 Å²	18	47.4 Å²	47.4	8%	0.079	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	161.3	-177.9	64.2	-87.2	0	0	0	114.5	L541 I543 F551 I605 Y610 L620 F622	L541-F549 HydrophobicContact CD1-CD2 4.24Å; L541-F549 HydrophobicContact CD1-CE2 4.13Å; I543-F549 HydrophobicContact CD1-CB 3.93Å; I543-F549 HydrophobicContact CD1-CD1 3.64Å; I543-F549 HydrophobicContact CD1-CD2 3.36Å; I543-F549 HydrophobicContact CD1-CE1 3.85Å; I543-F549 HydrophobicContact CD1-CE2 3.59Å; I543-F549 HydrophobicContact CD1-CG 3.36Å; I543-F549 HydrophobicContact CD1-CZ 3.81Å; I543-F549 HydrophobicContact CG1-CB 4.22Å; I543-F549 HydrophobicContact CG1-CD1 4.36Å; I543-F549 HydrophobicContact CG1-CD2 4.49Å; I543-F549 HydrophobicContact CG1-CG 4.14Å; I543-F549 HydrophobicContact CG2-CD1 3.83Å; I543-F549 HydrophobicContact CG2-CE1 4.29Å; I543-F549 HydrophobicContact CG2-CG 4.36Å; F549-F551 HydrophobicContact CE2-CB 4.39Å; F549-I605 HydrophobicContact CD1-CB 4.11Å; F549-I605 HydrophobicContact CD1-CG2 4.37Å; F549-I605 HydrophobicContact CD2-CB 4.12Å; F549-I605 HydrophobicContact CD2-CG1 4.15Å; F549-I605 HydrophobicContact CE1-CB 3.8Å; F549-I605 HydrophobicContact CE1-CG2 3.64Å; F549-I605 HydrophobicContact CE2-CB 3.81Å; F549-I605 HydrophobicContact CE2-CG1 3.65Å; F549-I605 HydrophobicContact CE2-CG2 4.25Å; F549-I605 HydrophobicContact CG-CB 4.28Å; F549-I605 HydrophobicContact CZ-CB 3.65Å; F549-I605 HydrophobicContact CZ-CG1 3.88Å; F549-I605 HydrophobicContact CZ-CG2 3.59Å; F549-I605 PolarHBondContact N-O 3.48Å; F549-I605 PolarHBondContact O-N 3.25Å; F549-Y610 HydrophobicContact CD1-CE1 4.42Å; F549-Y610 HydrophobicContact CE1-CD1 4.45Å; F549-Y610 AromaticContact CE1-CE1 3.8Å; F549-Y610 HydrophobicContact CE1-CE1 3.8Å; F549-L620 HydrophobicContact CE1-CD1 4.09Å; F549-L620 HydrophobicContact CZ-CD1 3.87Å; F549-F622 AromaticContact CE2-CZ 3.95Å; F549-F622 HydrophobicContact CE2-CZ 3.95Å; F549-F622 HydrophobicContact CZ-CE2 4.48Å; F549-F622 AromaticContact CZ-CZ 3.87Å; F549-F622 HydrophobicContact CZ-CZ 3.87Å
550	E	95	Very high	93.8	Very high	102 Å²	102	53.1 Å²	53.1	48%	0.477	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	123.8	174.6	-77.3	178.1	-168.1	0	0	111.4	L602 M604	E550-L602 HydrophobicContact CG-CD1 4.37Å; E550-M604 HydrophobicContact CB-SD 4.48Å; E550-M604 HydrophobicContact CG-CE 3.88Å; E550-M604 HydrophobicContact CG-SD 3.34Å; E550-M604 WeakPolarHBondContact CG-SD 3.44Å
551	F	95.4	Very high	94.2	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	108.2	173	-175	-107.1	0	0	0	110.4	L538 P539 L541 F549 V553 V569 M603 I605 F622	L538-F551 HydrophobicContact CD2-CZ 3.99Å; P539-F551 HydrophobicContact CG-CD2 4.04Å; P539-F551 HydrophobicContact CG-CE2 4.1Å; L541-F551 HydrophobicContact CD1-CD2 3.88Å; L541-F551 HydrophobicContact CD1-CE2 4.45Å; F549-F551 HydrophobicContact CE2-CB 4.39Å; F551-V553 HydrophobicContact CD1-CG2 3.86Å; F551-V553 HydrophobicContact CE1-CG2 3.34Å; F551-V553 HydrophobicContact CZ-CG2 4.09Å; F551-V569 HydrophobicContact CE1-CG1 3.99Å; F551-M603 HydrophobicContact CB-CB 4.44Å; F551-M603 PolarHBondContact N-O 2.84Å; F551-M603 PolarHBondContact O-N 2.9Å; F551-I605 HydrophobicContact CB-CD1 4.39Å; F551-I605 HydrophobicContact CB-CG1 3.93Å; F551-F622 HydrophobicContact CD1-CD1 4.13Å; F551-F622 HydrophobicContact CD1-CE1 4.35Å; F551-F622 HydrophobicContact CD2-CD1 4.03Å; F551-F622 HydrophobicContact CD2-CD2 4.34Å; F551-F622 HydrophobicContact CD2-CE1 4.05Å; F551-F622 HydrophobicContact CD2-CE2 4.35Å; F551-F622 HydrophobicContact CD2-CG 4.17Å; F551-F622 HydrophobicContact CD2-CZ 4.2Å; F551-F622 HydrophobicContact CE1-CB 4.33Å; F551-F622 AromaticContact CE1-CD1 3.81Å; F551-F622 HydrophobicContact CE1-CD1 3.81Å; F551-F622 HydrophobicContact CE1-CE1 4.47Å; F551-F622 HydrophobicContact CE1-CG 4.23Å; F551-F622 HydrophobicContact CE2-CB 3.88Å; F551-F622 AromaticContact CE2-CD1 3.73Å; F551-F622 HydrophobicContact CE2-CD1 3.73Å; F551-F622 AromaticContact CE2-CD2 3.84Å; F551-F622 HydrophobicContact CE2-CD2 3.84Å; F551-F622 HydrophobicContact CE2-CE1 4.21Å; F551-F622 HydrophobicContact CE2-CE2 4.31Å; F551-F622 AromaticContact CE2-CG 3.52Å; F551-F622 HydrophobicContact CE2-CG 3.52Å; F551-F622 HydrophobicContact CE2-CZ 4.47Å; F551-F622 HydrophobicContact CG-CD1 4.23Å; F551-F622 HydrophobicContact CG-CE1 4.13Å; F551-F622 HydrophobicContact CZ-CB 3.52Å; F551-F622 AromaticContact CZ-CD1 3.61Å; F551-F622 HydrophobicContact CZ-CD1 3.61Å; F551-F622 HydrophobicContact CZ-CD2 4.33Å; F551-F622 HydrophobicContact CZ-CE1 4.41Å; F551-F622 AromaticContact CZ-CG 3.56Å; F551-F622 HydrophobicContact CZ-CG 3.56Å
552	N	94.2	Very high	94.6	Very high	48 Å²	48	58.1 Å²	58.1	26%	0.257	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	108.1	-173.6	-73.7	-45.7	0	0	0	111.9	P539 L602	P539-N552 VanDerWaalsContact CD-O 3.25Å; P539-N552 WeakPolarHBondContact CD-O 3.06Å; N552-L602 WeakPolarHBondContact OD1-CA 3.35Å; N552-L602 WeakPolarHBondContact OD1-CB 3.02Å; N552-L602 VanDerWaalsContact OD1-CD1 3.25Å; N552-L602 WeakPolarHBondContact OD1-CD1 3.03Å; N552-L602 WeakPolarHBondContact OD1-CG 3.39Å
553	V	96.6	Very high	95	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	122.1	176.7	-175.4	0	0	0	0	109.6	V536 L538 F551 F555 K600 E601 V624	V536-V553 HydrophobicContact CG1-CG1 3.74Å; L538-V553 HydrophobicContact CD2-CG1 4.1Å; L538-V553 HydrophobicContact CD2-CG2 4.17Å; F551-V553 HydrophobicContact CD1-CG2 3.86Å; F551-V553 HydrophobicContact CE1-CG2 3.34Å; F551-V553 HydrophobicContact CZ-CG2 4.09Å; V553-F555 HydrophobicContact CB-CE2 4.16Å; V553-F555 HydrophobicContact CG1-CD2 4.23Å; V553-F555 HydrophobicContact CG1-CE2 3.56Å; V553-F555 HydrophobicContact CG1-CZ 3.82Å; V553-K600 CarbonylContact O-C 3.53Å; V553-K600 WeakPolarHBondContact O-CA 3.35Å; V553-E601 PolarHBondContact N-O 3.09Å; V553-E601 PolarHBondContact O-N 2.91Å; V553-V624 HydrophobicContact CG1-CG1 4.25Å; V553-V624 HydrophobicContact CG1-CG2 4.14Å; V553-V624 HydrophobicContact CG2-CG2 4.05Å
554	E	97.3	Very high	95.3	Very high	49 Å²	49	52.1 Å²	52.1	23%	0.229	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	125	178.4	-178.1	166.2	-163.4	0	0	111.4	V536 V537 V556 S598 K600	V536-E554 WeakPolarHBondContact CA-O 3.49Å; V537-E554 HydrophobicContact CB-CB 4.29Å; V537-E554 PolarHBondContact N-O 3.25Å; V537-E554 PolarHBondContact O-N 3.3Å; E554-V556 HydrophobicContact CG-CG2 3.94Å; E554-S598 WeakPolarHBondContact OE1-CB 3.45Å; E554-S598 PolarHBondContact OE1-OG 3.02Å; E554-K600 HydrophobicContact CB-CG 4.1Å; E554-K600 HydrophobicContact CG-CG 4.12Å; E554-K600 VanDerWaalsContact OE2-CE 3.24Å; E554-K600 WeakPolarHBondContact OE2-CE 3.46Å; E554-K600 IonicContact OE2-NZ 2.83Å
555	F	97.4	Very high	95.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	118.5	174.5	-62.6	-97.9	0	0	0	109.1	V534 D535 V536 V553 V565 A567 V591 V593 S598 V599 E601 V624	V534-F555 HydrophobicContact CG1-CB 4.3Å; D535-F555 CarbonylContact O-C 3.49Å; D535-F555 WeakPolarHBondContact O-CA 3.5Å; V536-F555 HydrophobicContact CG2-CD1 3.76Å; V536-F555 HydrophobicContact CG2-CE1 3.77Å; V553-F555 HydrophobicContact CB-CE2 4.16Å; V553-F555 HydrophobicContact CG1-CD2 4.23Å; V553-F555 HydrophobicContact CG1-CE2 3.56Å; V553-F555 HydrophobicContact CG1-CZ 3.82Å; F555-V565 HydrophobicContact CD1-CB 4.38Å; F555-V565 HydrophobicContact CD1-CG1 4.31Å; F555-V565 HydrophobicContact CD1-CG2 4.3Å; F555-V565 HydrophobicContact CE1-CB 4.4Å; F555-V565 HydrophobicContact CE1-CG1 4.01Å; F555-A567 HydrophobicContact CE1-CB 3.96Å; F555-A567 HydrophobicContact CZ-CB 3.8Å; F555-V591 HydrophobicContact CB-CG1 4.45Å; F555-V591 HydrophobicContact CD2-CB 4.29Å; F555-V591 HydrophobicContact CD2-CG1 3.93Å; F555-V591 HydrophobicContact CD2-CG2 4.04Å; F555-V591 HydrophobicContact CE2-CB 4.4Å; F555-V591 HydrophobicContact CE2-CG1 4.45Å; F555-V591 HydrophobicContact CE2-CG2 3.7Å; F555-V591 HydrophobicContact CG-CB 4.48Å; F555-V591 HydrophobicContact CG-CG1 4.2Å; F555-V591 HydrophobicContact CZ-CG2 3.98Å; F555-V593 HydrophobicContact CB-CG2 3.7Å; F555-S598 CarbonylContact O-C 3.57Å; F555-S598 WeakPolarHBondContact O-CA 3.45Å; F555-S598 WeakPolarHBondContact O-CB 3.17Å; F555-V599 PolarHBondContact N-O 2.96Å; F555-V599 PolarHBondContact O-N 2.87Å; F555-E601 HydrophobicContact CD2-CG 4.41Å; F555-E601 HydrophobicContact CE2-CB 4.32Å; F555-E601 HydrophobicContact CE2-CG 3.96Å; F555-V624 HydrophobicContact CZ-CG1 4.37Å
556	V	97.4	Very high	95.6	Very high	44 Å²	44	52.4 Å²	52.4	27%	0.267	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	112	-175.9	-173.2	0	0	0	0	109.4	V534 D535 V537 E554	V534-V556 CarbonylContact C-O 3.52Å; V534-V556 VanDerWaalsContact CA-O 3.27Å; V534-V556 WeakPolarHBondContact CA-O 3.43Å; D535-V556 HydrophobicContact CB-CB 4.3Å; D535-V556 PolarHBondContact N-O 2.8Å; D535-V556 PolarHBondContact O-N 3.34Å; V537-V556 HydrophobicContact CG2-CG2 4.27Å; E554-V556 HydrophobicContact CG-CG2 3.94Å
557	N	97.1	Very high	95.8	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.011	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	112.6	179.5	179	6.3	0	0	0	110.5	D533 V534 S559 Q561 V593 P594 Q596 K597	D533-N557 PolarHBondContact O-OD1 2.83Å; V534-N557 HydrophobicContact CG2-CB 4.22Å; N557-S559 WeakPolarHBondContact OD1-CA 3.34Å; N557-S559 WeakPolarHBondContact OD1-CB 3.31Å; N557-S559 PolarHBondContact OD1-N 2.63Å; N557-S559 PolarHBondContact OD1-OG 2.69Å; N557-Q561 PolarHBondContact ND2-O 3.48Å; N557-V593 HydrophobicContact CB-CB 3.87Å; N557-V593 HydrophobicContact CB-CG1 3.43Å; N557-V593 VanDerWaalsContact CB-CG1 3.43Å; N557-V593 PolarHBondContact ND2-O 2.86Å; N557-V593 VanDerWaalsContact ND2-O 3.09Å; N557-P594 WeakPolarHBondContact CB-O 3.22Å; N557-P594 PolarHBondContact ND2-O 3.39Å; N557-Q596 WeakPolarHBondContact O-CA 3.41Å; N557-Q596 PolarHBondContact O-N 3.18Å; N557-K597 PolarHBondContact N-O 3.42Å
558	Q	95.3	Very high	95.9	Very high	123 Å²	123	50 Å²	50	58%	0.575	24%	0.244	S	C	*	.			trans	-84.8	-12.2	178.3	-58.8	-159.7	7.2	0	0	112.9	D533 D535 Q596	D533-Q558 PolarHBondContact O-N 2.95Å; D535-Q558 PolarHBondContact OD2-NE2 3.06Å; Q558-Q596 PolarHBondContact O-NE2 2.91Å
559	S	95.1	Very high	95.8	Very high	16 Å²	16	45.4 Å²	45.4	11%	0.112	22%	0.219	C	C	.	.	S	Bend	trans	-79	160.7	-178.1	82.5	0	0	0	0	113.1	D533 N557 Q561 A595 Q596	D533-S559 WeakPolarHBondContact OD2-CB 3.47Å; N557-S559 WeakPolarHBondContact OD1-CA 3.34Å; N557-S559 WeakPolarHBondContact OD1-CB 3.31Å; N557-S559 PolarHBondContact OD1-N 2.63Å; N557-S559 PolarHBondContact OD1-OG 2.69Å; S559-Q561 PolarHBondContact O-N 3.28Å; S559-Q561 PolarHBondContact OG-N 3.19Å; S559-Q561 PolarHBondContact OG-O 2.86Å; S559-A595 WeakPolarHBondContact O-CA 3.41Å; S559-Q596 PolarHBondContact O-N 3.47Å; S559-Q596 VanDerWaalsContact O-N 3.08Å
560	L	96.1	Very high	95.7	Very high	150 Å²	150	45.3 Å²	45.3	79%	0.785	22%	0.221	S	C	*	.	S	Bend	trans	-79	0.1	171.7	-61.9	177.6	0	0	0	113.1	A595 Q596	L560-A595 VanDerWaalsContact O-CB 3.29Å; L560-A595 WeakPolarHBondContact O-CB 3.35Å; L560-Q596 HydrophobicContact CD2-CG 4.05Å
561	Q	96.4	Very high	95.6	Very high	120 Å²	120	40.4 Å²	40.4	56%	0.561	20%	0.198	S	C	*	.	S	Bend	trans	-114	154.6	-179.3	-66.4	-177.6	-9.2	0	0	110.4	N557 S559	N557-Q561 PolarHBondContact ND2-O 3.48Å; S559-Q561 PolarHBondContact O-N 3.28Å; S559-Q561 PolarHBondContact OG-N 3.19Å; S559-Q561 PolarHBondContact OG-O 2.86Å
562	K	97.2	Very high	95.5	Very high	119 Å²	119	40.6 Å²	40.6	52%	0.517	20%	0.199	S	C	.	.			trans	-64.1	140.1	167.5	169.9	179.1	141.7	167	0	109.2	T592	K562-T592 HydrophobicContact CD-CG2 3.58Å; K562-T592 HydrophobicContact CG-CG2 3.94Å
563	R	97.3	Very high	95.3	Very high	23 Å²	23	38.3 Å²	38.3	9%	0.087	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	147.6	173	-65.6	-58	-172.4	-138.2	-2.8	111.2	D533 V534 V593 I628	D533-R563 IonicContact OD1-NE 2.75Å; D533-R563 PolarHBondContact OD1-NE 2.88Å; D533-R563 IonicContact OD2-CZ 3.12Å; D533-R563 IonicContact OD2-NE 3.69Å; D533-R563 PolarHBondContact OD2-NE 3.49Å; D533-R563 IonicContact OD2-NH2 2.68Å; D533-R563 PolarHBondContact OD2-NH2 2.87Å; V534-R563 HydrophobicContact CG2-CB 3.72Å; V534-R563 HydrophobicContact CG2-CG 3.82Å; R563-V593 PolarHBondContact N-O 2.88Å; R563-V593 PolarHBondContact O-N 2.61Å; R563-I628 HydrophobicContact CB-CG2 4.24Å; R563-I628 HydrophobicContact CG-CG2 4.31Å
564	T	97.2	Very high	95	Very high	18 Å²	18	38.4 Å²	38.4	11%	0.11	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	116.3	175	-46.6	0	0	0	0	108.5	T590 V591 I628 K629 E630	T564-T590 HydrophobicContact CG2-CG2 3.78Å; T564-V591 CarbonylContact C-O 3.53Å; T564-V591 WeakPolarHBondContact CA-O 3.38Å; T564-I628 WeakPolarHBondContact O-CA 3.02Å; T564-K629 HydrophobicContact CG2-CD 3.87Å; T564-K629 HydrophobicContact CG2-CG 4.3Å; T564-K629 PolarHBondContact O-N 2.73Å; T564-E630 VanDerWaalsContact CB-OE1 3.28Å; T564-E630 WeakPolarHBondContact CB-OE1 3.26Å; T564-E630 PolarHBondContact N-OE1 2.83Å; T564-E630 VanDerWaalsContact N-OE1 3.13Å; T564-E630 PolarHBondContact N-OE2 3.14Å; T564-E630 PolarHBondContact OG1-OE1 3.23Å
565	V	95.4	Very high	94.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	121.7	-179.3	-170.2	0	0	0	0	109.3	V534 F555 A567 T590 V591 I628 V635	V534-V565 HydrophobicContact CG1-CG2 4.09Å; V534-V565 HydrophobicContact CG2-CG2 4.45Å; F555-V565 HydrophobicContact CD1-CB 4.38Å; F555-V565 HydrophobicContact CD1-CG1 4.31Å; F555-V565 HydrophobicContact CD1-CG2 4.3Å; F555-V565 HydrophobicContact CE1-CB 4.4Å; F555-V565 HydrophobicContact CE1-CG1 4.01Å; V565-A567 HydrophobicContact CG1-CB 4.22Å; V565-T590 CarbonylContact O-C 3.53Å; V565-T590 WeakPolarHBondContact O-CA 3.36Å; V565-V591 PolarHBondContact N-O 2.78Å; V565-V591 PolarHBondContact O-N 2.94Å; V565-I628 HydrophobicContact CG2-CG1 4.37Å; V565-V635 HydrophobicContact CG1-CG2 3.74Å
566	E	94.6	Very high	94	Very high	77 Å²	77	37.9 Å²	37.9	36%	0.36	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	101.1	164.1	-67.8	-177.6	154.3	0	0	107.7	G626 K627 K629	E566-G626 CarbonylContact O-C 3.58Å; E566-G626 WeakPolarHBondContact O-CA 3.09Å; E566-K627 PolarHBondContact N-O 3.03Å; E566-K627 PolarHBondContact O-N 2.83Å; E566-K629 HydrophobicContact CG-CD 4.49Å; E566-K629 HydrophobicContact CG-CG 4.26Å; E566-K629 WeakPolarHBondContact OE1-CE 3.18Å; E566-K629 IonicContact OE1-NZ 3.4Å; E566-K629 PolarHBondContact OE1-NZ 3.45Å
567	A	94	Very high	93.2	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.008	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	151.2	-174.1	0	0	0	0	0	111.9	F555 V565 T588 P589 T625	F555-A567 HydrophobicContact CE1-CB 3.96Å; F555-A567 HydrophobicContact CZ-CB 3.8Å; V565-A567 HydrophobicContact CG1-CB 4.22Å; A567-T588 CarbonylContact O-C 3.53Å; A567-T588 WeakPolarHBondContact O-CA 3.5Å; A567-P589 HydrophobicContact CB-CG 4.2Å; A567-P589 PolarHBondContact N-O 3.09Å; A567-P589 WeakPolarHBondContact O-CD 3.44Å; A567-T625 CarbonylContact C-O 3.59Å; A567-T625 VanDerWaalsContact CA-O 3.29Å; A567-T625 WeakPolarHBondContact CA-O 3.3Å
568	Y	93.9	Very high	92.4	Very high	43 Å²	43	37.2 Å²	37.2	17%	0.169	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	118.8	170.4	-62.3	-88.4	0	0	0	107	N377 R379 F586 T588 V624 T625	N377-Y568 HydrophobicContact CB-CE2 4.07Å; N377-Y568 WeakPolarHBondContact CB-OH 3.38Å; N377-Y568 VanDerWaalsContact O-CE2 3.25Å; N377-Y568 WeakPolarHBondContact O-CE2 2.84Å; R379-Y568 HydrophobicContact CB-CD1 4.21Å; R379-Y568 HydrophobicContact CB-CD2 4.41Å; R379-Y568 HydrophobicContact CB-CE1 4.44Å; R379-Y568 HydrophobicContact CB-CG 4.21Å; R379-Y568 HydrophobicContact CG-CD1 4.45Å; Y568-F586 HydrophobicContact CD1-CE2 4.26Å; Y568-F586 AromaticContact CD1-CZ 3.97Å; Y568-F586 HydrophobicContact CD1-CZ 3.97Å; Y568-T588 HydrophobicContact CD1-CG2 3.65Å; Y568-T588 HydrophobicContact CE1-CG2 3.8Å; Y568-V624 VanDerWaalsContact O-CA 3.31Å; Y568-V624 WeakPolarHBondContact O-CA 3.24Å; Y568-T625 PolarHBondContact N-O 3.14Å; Y568-T625 PolarHBondContact O-N 3.26Å
569	V	93.9	Very high	91.9	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	115.8	175.1	-177.3	0	0	0	0	107.7	F551 L585 F586 K587 P589 M603 V624	F551-V569 HydrophobicContact CE1-CG1 3.99Å; V569-L585 HydrophobicContact CG1-CD2 4.06Å; V569-F586 CarbonylContact O-C 3.57Å; V569-F586 WeakPolarHBondContact O-CA 3.5Å; V569-K587 HydrophobicContact CB-CB 4.4Å; V569-K587 PolarHBondContact N-O 2.84Å; V569-K587 PolarHBondContact O-N 3.34Å; V569-P589 HydrophobicContact CG2-CG 4.2Å; V569-M603 HydrophobicContact CB-CE 3.79Å; V569-M603 HydrophobicContact CB-SD 4.05Å; V569-M603 HydrophobicContact CG1-CE 3.93Å; V569-M603 HydrophobicContact CG1-SD 3.66Å; V569-M603 HydrophobicContact CG2-CE 3.56Å; V569-M603 HydrophobicContact CG2-SD 4.42Å; V569-V624 HydrophobicContact CB-CG2 4.38Å; V569-V624 HydrophobicContact CG1-CG2 4.03Å; V569-V624 HydrophobicContact CG2-CG1 4.09Å; V569-V624 HydrophobicContact CG2-CG2 3.94Å
570	S	92.3	Very high	91.4	Very high	16 Å²	16	36.5 Å²	36.5	11%	0.112	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	135.3	175	60.9	0	0	0	0	110.7	L585 F622 I623	S570-L585 CarbonylContact C-O 3.57Å; S570-L585 VanDerWaalsContact CA-O 3.26Å; S570-L585 WeakPolarHBondContact CA-O 3.43Å; S570-F622 WeakPolarHBondContact O-CA 3.34Å; S570-I623 PolarHBondContact N-O 3.29Å; S570-I623 PolarHBondContact O-N 2.92Å; S570-I623 PolarHBondContact OG-O 3.4Å
571	G	93.1	Very high	90.9	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	129.7	169.5	0	0	0	0	0	109.5	F584 L585 N621	G571-F584 VanDerWaalsContact C-CE1 3.45Å; G571-F584 PolarHBondContact O-N 3.48Å; G571-L585 PolarHBondContact N-O 2.73Å; G571-L585 PolarHBondContact O-N 3.36Å; G571-L585 VanDerWaalsContact O-N 3.17Å; G571-N621 CarbonylContact C-O 3.57Å; G571-N621 WeakPolarHBondContact CA-O 3.39Å
572	S	92.8	Very high	90.6	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.021	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	144.9	-179.8	-58.7	0	0	0	0	111.7	R382 S580 N582 F584 L620 N621	R382-S572 PolarHBondContact NH2-OG 2.9Å; S572-S580 WeakPolarHBondContact CB-OG 3.34Å; S572-N582 CarbonylContact C-O 3.53Å; S572-N582 WeakPolarHBondContact CA-O 2.93Å; S572-N582 WeakPolarHBondContact CB-O 3.48Å; S572-F584 VanDerWaalsContact C-CE1 3.45Å; S572-L620 CarbonylContact O-C 3.27Å; S572-L620 WeakPolarHBondContact O-CA 3.43Å; S572-N621 PolarHBondContact N-O 3.25Å; S572-N621 PolarHBondContact O-N 3.49Å
573	V	91.5	Very high	90.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	130.9	164.8	-178.4	0	0	0	0	107.8	S581 N582 F584 H613 L614 V615 L620	V573-S581 PolarHBondContact O-N 3.18Å; V573-N582 PolarHBondContact N-O 2.99Å; V573-F584 HydrophobicContact CG2-CD1 4.07Å; V573-F584 HydrophobicContact CG2-CE1 4.45Å; V573-H613 WeakPolarHBondContact CG1-O 3.4Å; V573-H613 HydrophobicContact CG2-CB 4.15Å; V573-L614 HydrophobicContact CG1-CD2 4.33Å; V573-L614 HydrophobicContact CG2-CD2 4.33Å; V573-V615 HydrophobicContact CG1-CG1 4.37Å; V573-V615 HydrophobicContact CG1-CG2 3.98Å; V573-L620 HydrophobicContact CG2-CD2 4Å
574	V	89.3	Confident	90.1	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.018	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	150.1	179.9	-60.6	0	0	0	0	111.3	V579 V615 N619 N621	V574-V579 CarbonylContact C-O 3.53Å; V574-V579 VanDerWaalsContact CA-O 3.25Å; V574-V579 WeakPolarHBondContact CA-O 3.43Å; V574-V579 WeakPolarHBondContact CB-O 3.31Å; V574-V615 VanDerWaalsContact O-CG2 3.28Å; V574-V615 WeakPolarHBondContact O-CG2 3.41Å; V574-N619 HydrophobicContact CG2-CB 3.71Å; V574-N619 PolarHBondContact N-O 3.04Å; V574-N621 HydrophobicContact CB-CB 4.29Å; V574-N621 HydrophobicContact CG1-CB 3.41Å; V574-N621 VanDerWaalsContact CG1-CB 3.41Å; V574-N621 HydrophobicContact CG2-CB 3.82Å
575	Y	88.3	Confident	89.9	Confident	38 Å²	38	26.4 Å²	26.4	15%	0.149	15%	0.148	C	C	.	.			trans	-68.9	161.1	162.8	-65	-92.4	0	0	0	109.3	W299 S300 T577 G578 V579 V615	W299-Y575 WeakPolarHBondContact O-CE1 3.41Å; S300-Y575 PolarHBondContact O-OH 3.31Å; S300-Y575 VanDerWaalsContact O-OH 3.09Å; Y575-T577 WeakPolarHBondContact CB-OG1 3.47Å; Y575-T577 PolarHBondContact O-N 3.43Å; Y575-T577 VanDerWaalsContact O-N 3.08Å; Y575-G578 PolarHBondContact O-N 3.5Å; Y575-V579 HydrophobicContact CD2-CB 4.28Å; Y575-V579 HydrophobicContact CD2-CG1 4.43Å; Y575-V579 WeakPolarHBondContact CD2-O 3.25Å; Y575-V579 PolarHBondContact N-O 3.38Å; Y575-V615 HydrophobicContact CD1-CB 3.96Å; Y575-V615 HydrophobicContact CD1-CG1 4.43Å; Y575-V615 HydrophobicContact CD1-CG2 3.81Å; Y575-V615 HydrophobicContact CD2-CG2 4.28Å; Y575-V615 HydrophobicContact CE1-CB 3.7Å; Y575-V615 HydrophobicContact CE1-CG1 3.85Å; Y575-V615 HydrophobicContact CE1-CG2 4.07Å; Y575-V615 HydrophobicContact CE2-CG1 3.98Å; Y575-V615 HydrophobicContact CG-CB 4.47Å; Y575-V615 HydrophobicContact CG-CG2 3.93Å
576	Y	85.8	Confident	89.8	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-20	176.4	81	-79.1	0	0	0	112.8	W299 Q333 C334 W335 W390 N391 Y392 G578 Q617	W299-Y576 AromaticContact CD1-CE1 3.62Å; W299-Y576 WeakPolarHBondContact CZ2-OH 3.06Å; W299-Y576 AromaticContact NE1-CE1 3.23Å; W299-Y576 AromaticContact NE1-CZ 3.35Å; W299-Y576 PolarHBondContact NE1-OH 3.03Å; Q333-Y576 HydrophobicContact CB-CE1 4.44Å; Q333-Y576 HydrophobicContact CG-CE1 4.46Å; C334-Y576 PolarHBondContact N-OH 3.49Å; C334-Y576 WeakPolarHBondContact SG-CE2 3.44Å; C334-Y576 PolarHBondContact SG-OH 3.29Å; W335-Y576 HydrophobicContact CH2-CE1 4.48Å; W335-Y576 HydrophobicContact CZ3-CD1 4.2Å; W335-Y576 AromaticContact CZ3-CE1 3.77Å; W335-Y576 HydrophobicContact CZ3-CE1 3.77Å; W335-Y576 HydrophobicContact CZ3-CE2 4.26Å; W335-Y576 AromaticContact CZ3-CZ 3.78Å; W390-Y576 HydrophobicContact CE3-CD2 4.25Å; W390-Y576 AromaticContact CE3-CE2 3.57Å; W390-Y576 HydrophobicContact CE3-CE2 3.57Å; W390-Y576 AromaticContact CZ3-CE2 3.54Å; W390-Y576 HydrophobicContact CZ3-CE2 3.54Å; W390-Y576 AromaticContact CZ3-CZ 3.71Å; W390-Y576 WeakPolarHBondContact CZ3-OH 3.29Å; N391-Y576 WeakPolarHBondContact CB-O 3.37Å; N391-Y576 PolarHBondContact N-O 2.96Å; Y392-Y576 HydrophobicContact CD1-CD2 4.37Å; Y392-Y576 AromaticContact CE1-CD2 3.89Å; Y392-Y576 HydrophobicContact CE1-CD2 3.89Å; Y392-Y576 HydrophobicContact CE1-CG 4.22Å; Y392-Y576 HydrophobicContact CE2-CD2 4.16Å; Y392-Y576 HydrophobicContact CE2-CE2 4.4Å; Y392-Y576 AromaticContact CZ-CD2 3.78Å; Y576-G578 PolarHBondContact O-N 3.01Å; Y576-Q617 VanDerWaalsContact CD1-NE2 3.29Å
577	T	81.5	Confident	89.8	Confident	7 Å²	7	32 Å²	32	4%	0.043	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-4	172	62.9	0	0	0	0	113.9	W299 S388 W390 Y575 V579	W299-T577 VanDerWaalsContact CD1-CG2 3.41Å; W299-T577 VanDerWaalsContact NE1-CG2 3.27Å; S388-T577 PolarHBondContact OG-O 3.36Å; W390-T577 HydrophobicContact CD2-CG2 3.8Å; W390-T577 VanDerWaalsContact CE2-CB 3.4Å; W390-T577 VanDerWaalsContact CE2-CG2 3.49Å; W390-T577 HydrophobicContact CE3-CG2 3.89Å; W390-T577 HydrophobicContact CH2-CG2 3.46Å; W390-T577 VanDerWaalsContact CH2-CG2 3.46Å; W390-T577 HydrophobicContact CZ2-CG2 3.32Å; W390-T577 HydrophobicContact CZ3-CG2 3.74Å; W390-T577 PolarHBondContact NE1-O 3.34Å; Y575-T577 WeakPolarHBondContact CB-OG1 3.47Å; Y575-T577 PolarHBondContact O-N 3.43Å; Y575-T577 VanDerWaalsContact O-N 3.08Å; T577-V579 PolarHBondContact O-N 3.44Å; T577-V579 WeakPolarHBondContact OG1-CG2 3.41Å
578	G	80.1	Confident	89.8	Confident	25 Å²	25	36 Å²	36	26%	0.258	20%	0.196	S	C	.	.	S	Bend	trans	83.4	-7.7	-176.9	0	0	0	0	0	114.4	Y575 Y576 S580	Y575-G578 PolarHBondContact O-N 3.5Å; Y576-G578 PolarHBondContact O-N 3.01Å; G578-S580 PolarHBondContact O-N 3.09Å
579	V	83.9	Confident	89.9	Confident	78 Å²	78	35 Å²	35	47%	0.473	20%	0.195	S	C	.	.			trans	-66.4	129.8	176.2	179	0	0	0	0	110.3	V574 Y575 T577	V574-V579 CarbonylContact C-O 3.53Å; V574-V579 VanDerWaalsContact CA-O 3.25Å; V574-V579 WeakPolarHBondContact CA-O 3.43Å; V574-V579 WeakPolarHBondContact CB-O 3.31Å; Y575-V579 HydrophobicContact CD2-CB 4.28Å; Y575-V579 HydrophobicContact CD2-CG1 4.43Å; Y575-V579 WeakPolarHBondContact CD2-O 3.25Å; Y575-V579 PolarHBondContact N-O 3.38Å; T577-V579 PolarHBondContact O-N 3.44Å; T577-V579 WeakPolarHBondContact OG1-CG2 3.41Å
580	S	84.6	Confident	90	Very high	45 Å²	45	39 Å²	39	32%	0.315	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	132.7	179.5	-174.4	0	0	0	0	112.5	R382 S572 G578	R382-S580 VanDerWaalsContact NH1-CB 3.25Å; R382-S580 PolarHBondContact NH1-OG 2.78Å; S572-S580 WeakPolarHBondContact CB-OG 3.34Å; G578-S580 PolarHBondContact O-N 3.09Å
581	S	86.3	Confident	90.2	Very high	58 Å²	58	38.3 Å²	38.3	41%	0.406	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-61.7	173	174.5	0	0	0	0	111.5	V573	V573-S581 PolarHBondContact O-N 3.18Å
582	N	89.1	Confident	90.4	Very high	52 Å²	52	41.2 Å²	41.2	28%	0.278	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	139.2	-176.2	-170.6	49.6	0	0	0	112.4	S572 V573 H613	S572-N582 CarbonylContact C-O 3.53Å; S572-N582 WeakPolarHBondContact CA-O 2.93Å; S572-N582 WeakPolarHBondContact CB-O 3.48Å; V573-N582 PolarHBondContact N-O 2.99Å; N582-H613 HydrophobicContact CB-CB 3.89Å; N582-H613 PolarHBondContact ND2-CD2 3.01Å; N582-H613 PolarHBondContact ND2-ND1 3.37Å; N582-H613 PolarHBondContact ND2-NE2 2.86Å
583	E	91.3	Very high	90.6	Very high	66 Å²	66	41.1 Å²	41.1	31%	0.308	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	118.5	174.2	-172.4	171.5	-99.4	0	0	109.6	R382	R382-E583 IonicContact CZ-OE1 2.72Å; R382-E583 IonicContact NH2-OE1 3.69Å; R382-E583 PolarHBondContact NH2-OE1 2.89Å
584	F	93.6	Very high	90.9	Very high	29 Å²	29	44.1 Å²	44.1	13%	0.127	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	-13.7	-178.6	65.9	-97.6	0	0	0	113	G571 S572 V573 I605 N609 L620 F622	G571-F584 VanDerWaalsContact C-CE1 3.45Å; G571-F584 PolarHBondContact O-N 3.48Å; S572-F584 VanDerWaalsContact C-CE1 3.45Å; V573-F584 HydrophobicContact CG2-CD1 4.07Å; V573-F584 HydrophobicContact CG2-CE1 4.45Å; F584-I605 HydrophobicContact CD2-CG2 4.15Å; F584-I605 HydrophobicContact CE2-CD1 4.48Å; F584-I605 HydrophobicContact CE2-CG2 3.69Å; F584-N609 HydrophobicContact CB-CB 4.27Å; F584-N609 VanDerWaalsContact CB-O 3.24Å; F584-N609 WeakPolarHBondContact CB-O 3.38Å; F584-L620 HydrophobicContact CE1-CB 4.28Å; F584-L620 HydrophobicContact CE1-CD2 3.78Å; F584-L620 HydrophobicContact CE1-CG 4.41Å; F584-L620 HydrophobicContact CZ-CB 4.25Å; F584-L620 HydrophobicContact CZ-CD1 4.13Å; F584-L620 HydrophobicContact CZ-CD2 4.23Å; F584-L620 HydrophobicContact CZ-CG 4.44Å; F584-F622 HydrophobicContact CE2-CE1 4.09Å; F584-F622 HydrophobicContact CE2-CZ 4.21Å; F584-F622 AromaticContact CZ-CE1 3.88Å; F584-F622 HydrophobicContact CZ-CE1 3.88Å; F584-F622 AromaticContact CZ-CZ 3.77Å; F584-F622 HydrophobicContact CZ-CZ 3.77Å
585	L	93.6	Very high	91.2	Very high	14 Å²	14	45.7 Å²	45.7	7%	0.073	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	129.5	178.5	174.8	73.8	0	0	0	109.3	V569 S570 G571 K587 M603 I605 F622	V569-L585 HydrophobicContact CG1-CD2 4.06Å; S570-L585 CarbonylContact C-O 3.57Å; S570-L585 VanDerWaalsContact CA-O 3.26Å; S570-L585 WeakPolarHBondContact CA-O 3.43Å; G571-L585 PolarHBondContact N-O 2.73Å; G571-L585 PolarHBondContact O-N 3.36Å; G571-L585 VanDerWaalsContact O-N 3.17Å; L585-K587 HydrophobicContact CD1-CG 3.89Å; L585-M603 HydrophobicContact CD1-SD 4.42Å; L585-M603 HydrophobicContact CD2-SD 4.16Å; L585-I605 HydrophobicContact CB-CD1 4.46Å; L585-I605 HydrophobicContact CD1-CD1 3.9Å; L585-I605 HydrophobicContact CD2-CD1 3.69Å; L585-I605 HydrophobicContact CG-CD1 4.22Å; L585-F622 HydrophobicContact CD2-CD1 4.27Å; L585-F622 HydrophobicContact CD2-CE1 4.07Å
586	F	93	Very high	91.6	Very high	79 Å²	79	49.9 Å²	49.9	35%	0.346	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	121.5	166	-174.8	-106.6	0	0	0	110	Y568 V569 T588	Y568-F586 HydrophobicContact CD1-CE2 4.26Å; Y568-F586 AromaticContact CD1-CZ 3.97Å; Y568-F586 HydrophobicContact CD1-CZ 3.97Å; V569-F586 CarbonylContact O-C 3.57Å; V569-F586 WeakPolarHBondContact O-CA 3.5Å; F586-T588 HydrophobicContact CE1-CG2 3.8Å; F586-T588 HydrophobicContact CZ-CG2 3.82Å
587	K	93.9	Very high	92.2	Very high	115 Å²	115	56.4 Å²	56.4	50%	0.5	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	149.1	178.9	-63.8	-67.9	-177.5	178.7	0	110.3	V569 L585 P589 M603	V569-K587 HydrophobicContact CB-CB 4.4Å; V569-K587 PolarHBondContact N-O 2.84Å; V569-K587 PolarHBondContact O-N 3.34Å; L585-K587 HydrophobicContact CD1-CG 3.89Å; K587-P589 VanDerWaalsContact C-CD 3.47Å; K587-M603 HydrophobicContact CB-CE 4.05Å; K587-M603 HydrophobicContact CB-SD 4.12Å; K587-M603 HydrophobicContact CG-CE 4.38Å; K587-M603 HydrophobicContact CG-SD 3.89Å
588	T	94.4	Very high	92.9	Very high	85 Å²	85	58.8 Å²	58.8	52%	0.521	33%	0.331	S	S	.	.			trans	-126.6	64.5	179.8	59	0	0	0	0	112.1	A567 Y568 F586	A567-T588 CarbonylContact O-C 3.53Å; A567-T588 WeakPolarHBondContact O-CA 3.5Å; Y568-T588 HydrophobicContact CD1-CG2 3.65Å; Y568-T588 HydrophobicContact CE1-CG2 3.8Å; F586-T588 HydrophobicContact CE1-CG2 3.8Å; F586-T588 HydrophobicContact CZ-CG2 3.82Å
589	P	95	Very high	93.7	Very high	22 Å²	22	59.5 Å²	59.5	14%	0.143	33%	0.33	C	S	.	.			trans	-69	144	-177.6	28.8	-33	0	0	0	111.5	A567 V569 K587 V591 E601 M603	A567-P589 HydrophobicContact CB-CG 4.2Å; A567-P589 PolarHBondContact N-O 3.09Å; A567-P589 WeakPolarHBondContact O-CD 3.44Å; V569-P589 HydrophobicContact CG2-CG 4.2Å; K587-P589 VanDerWaalsContact C-CD 3.47Å; P589-V591 HydrophobicContact CB-CG2 4.08Å; P589-V591 HydrophobicContact CG-CG2 4.43Å; P589-E601 HydrophobicContact CB-CG 4.43Å; P589-M603 HydrophobicContact CG-CE 4.2Å
590	T	96.1	Very high	94.3	Very high	84 Å²	84	62.1 Å²	62.1	52%	0.515	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	106.7	167.2	-60.6	0	0	0	0	108.3	T564 V565	T564-T590 HydrophobicContact CG2-CG2 3.78Å; V565-T590 CarbonylContact O-C 3.53Å; V565-T590 WeakPolarHBondContact O-CA 3.36Å
591	V	96.3	Very high	94.8	Very high	1 Å²	1	62.9 Å²	62.9	1%	0.006	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	120.7	-170.9	-169.7	0	0	0	0	109.7	F555 T564 V565 P589 V593 V599 E601	F555-V591 HydrophobicContact CB-CG1 4.45Å; F555-V591 HydrophobicContact CD2-CB 4.29Å; F555-V591 HydrophobicContact CD2-CG1 3.93Å; F555-V591 HydrophobicContact CD2-CG2 4.04Å; F555-V591 HydrophobicContact CE2-CB 4.4Å; F555-V591 HydrophobicContact CE2-CG1 4.45Å; F555-V591 HydrophobicContact CE2-CG2 3.7Å; F555-V591 HydrophobicContact CG-CB 4.48Å; F555-V591 HydrophobicContact CG-CG1 4.2Å; F555-V591 HydrophobicContact CZ-CG2 3.98Å; T564-V591 CarbonylContact C-O 3.53Å; T564-V591 WeakPolarHBondContact CA-O 3.38Å; V565-V591 PolarHBondContact N-O 2.78Å; V565-V591 PolarHBondContact O-N 2.94Å; P589-V591 HydrophobicContact CB-CG2 4.08Å; P589-V591 HydrophobicContact CG-CG2 4.43Å; V591-V593 HydrophobicContact CG1-CG2 3.93Å; V591-V599 HydrophobicContact CG1-CB 4.04Å; V591-V599 HydrophobicContact CG1-CG1 3.74Å; V591-E601 HydrophobicContact CG1-CG 4.37Å; V591-E601 HydrophobicContact CG2-CG 3.5Å
592	T	97.3	Very high	95.2	Very high	62 Å²	62	64.5 Å²	64.5	38%	0.38	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	115.5	171.5	-71.5	0	0	0	0	109.3	K562	K562-T592 HydrophobicContact CD-CG2 3.58Å; K562-T592 HydrophobicContact CG-CG2 3.94Å
593	V	97.3	Very high	95.5	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	116.2	-179.5	-163.4	0	0	0	0	109.3	F555 N557 R563 V591 K597 V599	F555-V593 HydrophobicContact CB-CG2 3.7Å; N557-V593 HydrophobicContact CB-CB 3.87Å; N557-V593 HydrophobicContact CB-CG1 3.43Å; N557-V593 VanDerWaalsContact CB-CG1 3.43Å; N557-V593 PolarHBondContact ND2-O 2.86Å; N557-V593 VanDerWaalsContact ND2-O 3.09Å; R563-V593 PolarHBondContact N-O 2.88Å; R563-V593 PolarHBondContact O-N 2.61Å; V591-V593 HydrophobicContact CG1-CG2 3.93Å; V593-K597 WeakPolarHBondContact CG1-O 3.42Å; V593-V599 HydrophobicContact CG1-CG2 4.18Å; V593-V599 HydrophobicContact CG2-CB 4.43Å
594	P	97.5	Very high	95.7	Very high	63 Å²	63	64.9 Å²	64.9	41%	0.409	34%	0.339	S	S	.	.			trans	-59.1	159.8	174.4	-21	32.4	0	0	0	112	N557 Q596 K597	N557-P594 WeakPolarHBondContact CB-O 3.22Å; N557-P594 PolarHBondContact ND2-O 3.39Å; P594-Q596 PolarHBondContact O-N 3.44Å; P594-K597 HydrophobicContact CB-CB 4.07Å; P594-K597 HydrophobicContact CB-CG 4.08Å; P594-K597 HydrophobicContact CG-CB 4.42Å; P594-K597 PolarHBondContact O-N 2.93Å
595	A	96.6	Very high	95.8	Very high	37 Å²	37	63.7 Å²	63.7	31%	0.306	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	134.5	175.9	0	0	0	0	0	111.3	S559 L560 K597	S559-A595 WeakPolarHBondContact O-CA 3.41Å; L560-A595 VanDerWaalsContact O-CB 3.29Å; L560-A595 WeakPolarHBondContact O-CB 3.35Å; A595-K597 PolarHBondContact O-N 3.36Å
596	Q	96.5	Very high	95.8	Very high	126 Å²	126	66.2 Å²	66.2	59%	0.589	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	33.4	176.4	-62.8	-97.4	-44	0	0	113.7	N557 Q558 S559 L560 P594	N557-Q596 WeakPolarHBondContact O-CA 3.41Å; N557-Q596 PolarHBondContact O-N 3.18Å; Q558-Q596 PolarHBondContact O-NE2 2.91Å; S559-Q596 PolarHBondContact O-N 3.47Å; S559-Q596 VanDerWaalsContact O-N 3.08Å; L560-Q596 HydrophobicContact CD2-CG 4.05Å; P594-Q596 PolarHBondContact O-N 3.44Å
597	K	97.6	Very high	95.8	Very high	136 Å²	136	63.7 Å²	63.7	59%	0.591	34%	0.338	S	S	*	.			trans	-132.5	166.1	179.2	-67.8	-64.5	179.8	-175	0	110.8	N557 V593 P594 A595	N557-K597 PolarHBondContact N-O 3.42Å; V593-K597 WeakPolarHBondContact CG1-O 3.42Å; P594-K597 HydrophobicContact CB-CB 4.07Å; P594-K597 HydrophobicContact CB-CG 4.08Å; P594-K597 HydrophobicContact CG-CB 4.42Å; P594-K597 PolarHBondContact O-N 2.93Å; A595-K597 PolarHBondContact O-N 3.36Å
598	S	96.8	Very high	95.7	Very high	57 Å²	57	66.2 Å²	66.2	40%	0.399	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	152.3	168.7	67.8	0	0	0	0	112.2	E554 F555	E554-S598 WeakPolarHBondContact OE1-CB 3.45Å; E554-S598 PolarHBondContact OE1-OG 3.02Å; F555-S598 CarbonylContact O-C 3.57Å; F555-S598 WeakPolarHBondContact O-CA 3.45Å; F555-S598 WeakPolarHBondContact O-CB 3.17Å
599	V	97.4	Very high	95.5	Very high	41 Å²	41	65.2 Å²	65.2	25%	0.248	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	137.7	174.1	174.2	0	0	0	0	108.3	F555 V591 V593	F555-V599 PolarHBondContact N-O 2.96Å; F555-V599 PolarHBondContact O-N 2.87Å; V591-V599 HydrophobicContact CG1-CB 4.04Å; V591-V599 HydrophobicContact CG1-CG1 3.74Å; V593-V599 HydrophobicContact CG1-CG2 4.18Å; V593-V599 HydrophobicContact CG2-CB 4.43Å
600	K	96.4	Very high	95.4	Very high	133 Å²	133	64.1 Å²	64.1	58%	0.578	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.1	133.5	178.8	-65.9	-174.9	176	-174.6	0	110.5	V553 E554	V553-K600 CarbonylContact O-C 3.53Å; V553-K600 WeakPolarHBondContact O-CA 3.35Å; E554-K600 HydrophobicContact CB-CG 4.1Å; E554-K600 HydrophobicContact CG-CG 4.12Å; E554-K600 VanDerWaalsContact OE2-CE 3.24Å; E554-K600 WeakPolarHBondContact OE2-CE 3.46Å; E554-K600 IonicContact OE2-NZ 2.83Å
601	E	95.9	Very high	95.1	Very high	61 Å²	61	61.9 Å²	61.9	29%	0.285	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	115.2	170.8	-70.7	-62.5	155.7	0	0	109.1	V553 F555 P589 V591	V553-E601 PolarHBondContact N-O 3.09Å; V553-E601 PolarHBondContact O-N 2.91Å; F555-E601 HydrophobicContact CD2-CG 4.41Å; F555-E601 HydrophobicContact CE2-CB 4.32Å; F555-E601 HydrophobicContact CE2-CG 3.96Å; P589-E601 HydrophobicContact CB-CG 4.43Å; V591-E601 HydrophobicContact CG1-CG 4.37Å; V591-E601 HydrophobicContact CG2-CG 3.5Å
602	L	94.6	Very high	94.6	Very high	91 Å²	91	68.5 Å²	68.5	48%	0.476	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	134.3	-176.5	-175.9	150.1	0	0	0	110.9	E550 N552 M604	E550-L602 HydrophobicContact CG-CD1 4.37Å; N552-L602 WeakPolarHBondContact OD1-CA 3.35Å; N552-L602 WeakPolarHBondContact OD1-CB 3.02Å; N552-L602 VanDerWaalsContact OD1-CD1 3.25Å; N552-L602 WeakPolarHBondContact OD1-CD1 3.03Å; N552-L602 WeakPolarHBondContact OD1-CG 3.39Å; L602-M604 HydrophobicContact CD2-CG 4.28Å; L602-M604 HydrophobicContact CD2-SD 4.05Å
603	M	94.6	Very high	94.2	Very high	18 Å²	18	69.5 Å²	69.5	9%	0.089	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	121.8	176.9	-54.6	-176	-171.1	0	0	110	F551 V569 L585 K587 P589 I605	F551-M603 HydrophobicContact CB-CB 4.44Å; F551-M603 PolarHBondContact N-O 2.84Å; F551-M603 PolarHBondContact O-N 2.9Å; V569-M603 HydrophobicContact CB-CE 3.79Å; V569-M603 HydrophobicContact CB-SD 4.05Å; V569-M603 HydrophobicContact CG1-CE 3.93Å; V569-M603 HydrophobicContact CG1-SD 3.66Å; V569-M603 HydrophobicContact CG2-CE 3.56Å; V569-M603 HydrophobicContact CG2-SD 4.42Å; L585-M603 HydrophobicContact CD1-SD 4.42Å; L585-M603 HydrophobicContact CD2-SD 4.16Å; K587-M603 HydrophobicContact CB-CE 4.05Å; K587-M603 HydrophobicContact CB-SD 4.12Å; K587-M603 HydrophobicContact CG-CE 4.38Å; K587-M603 HydrophobicContact CG-SD 3.89Å; P589-M603 HydrophobicContact CG-CE 4.2Å; M603-I605 HydrophobicContact CB-CD1 4.44Å
604	M	95.3	Very high	93.8	Very high	108 Å²	108	71.6 Å²	71.6	53%	0.532	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	126	171.9	-65.4	-55.7	-54	0	0	110.3	E550 L602	E550-M604 HydrophobicContact CB-SD 4.48Å; E550-M604 HydrophobicContact CG-CE 3.88Å; E550-M604 HydrophobicContact CG-SD 3.34Å; E550-M604 WeakPolarHBondContact CG-SD 3.44Å; L602-M604 HydrophobicContact CD2-CG 4.28Å; L602-M604 HydrophobicContact CD2-SD 4.05Å
605	I	95.8	Very high	93.2	Very high	4 Å²	4	69.5 Å²	69.5	2%	0.021	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	112.8	175.7	-48.6	-56.4	0	0	0	108.6	D548 F549 F551 F584 L585 M603 Y610	D548-I605 CarbonylContact C-O 3.54Å; D548-I605 WeakPolarHBondContact CA-O 3.46Å; F549-I605 HydrophobicContact CD1-CB 4.11Å; F549-I605 HydrophobicContact CD1-CG2 4.37Å; F549-I605 HydrophobicContact CD2-CB 4.12Å; F549-I605 HydrophobicContact CD2-CG1 4.15Å; F549-I605 HydrophobicContact CE1-CB 3.8Å; F549-I605 HydrophobicContact CE1-CG2 3.64Å; F549-I605 HydrophobicContact CE2-CB 3.81Å; F549-I605 HydrophobicContact CE2-CG1 3.65Å; F549-I605 HydrophobicContact CE2-CG2 4.25Å; F549-I605 HydrophobicContact CG-CB 4.28Å; F549-I605 HydrophobicContact CZ-CB 3.65Å; F549-I605 HydrophobicContact CZ-CG1 3.88Å; F549-I605 HydrophobicContact CZ-CG2 3.59Å; F549-I605 PolarHBondContact N-O 3.48Å; F549-I605 PolarHBondContact O-N 3.25Å; F551-I605 HydrophobicContact CB-CD1 4.39Å; F551-I605 HydrophobicContact CB-CG1 3.93Å; F584-I605 HydrophobicContact CD2-CG2 4.15Å; F584-I605 HydrophobicContact CE2-CD1 4.48Å; F584-I605 HydrophobicContact CE2-CG2 3.69Å; L585-I605 HydrophobicContact CB-CD1 4.46Å; L585-I605 HydrophobicContact CD1-CD1 3.9Å; L585-I605 HydrophobicContact CD2-CD1 3.69Å; L585-I605 HydrophobicContact CG-CD1 4.22Å; M603-I605 HydrophobicContact CB-CD1 4.44Å; I605-Y610 HydrophobicContact CG2-CD1 4.05Å; I605-Y610 HydrophobicContact CG2-CE1 4.33Å
606	E	94.3	Very high	92.5	Very high	68 Å²	68	67.9 Å²	67.9	32%	0.318	33%	0.332	S	S	.	.			trans	-91.4	136.5	177.7	-57	166.6	145.8	0	0	110.5	D548 R608 N609	D548-E606 WeakPolarHBondContact OD1-CA 3.29Å; E606-R608 HydrophobicContact CB-CG 3.98Å; E606-R608 PolarHBondContact O-N 3.19Å; E606-R608 IonicContact OE1-CZ 3.45Å; E606-R608 IonicContact OE1-NE 3.6Å; E606-R608 IonicContact OE1-NH2 3.32Å; E606-R608 PolarHBondContact OE1-NH2 3.3Å; E606-R608 IonicContact OE2-CZ 3.02Å; E606-R608 IonicContact OE2-NE 2.76Å; E606-R608 PolarHBondContact OE2-NE 3.15Å; E606-R608 IonicContact OE2-NH2 3.96Å; E606-R608 PolarHBondContact OE2-NH2 2.69Å; E606-N609 WeakPolarHBondContact O-CB 3.48Å; E606-N609 PolarHBondContact O-N 3.15Å
607	S	92.4	Very high	92	Very high	26 Å²	26	62.2 Å²	62.2	18%	0.182	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-46.1	-43.9	176.6	54.7	0	0	0	0	113.6	G546 D548 N609 Y610 L611	G546-S607 WeakPolarHBondContact O-CB 3.34Å; D548-S607 VanDerWaalsContact OD1-CB 3.24Å; D548-S607 WeakPolarHBondContact OD1-CB 3.36Å; D548-S607 PolarHBondContact OD1-N 2.82Å; D548-S607 PolarHBondContact OD1-OG 3.03Å; S607-N609 PolarHBondContact O-N 3.27Å; S607-Y610 PolarHBondContact O-N 3.41Å; S607-L611 WeakPolarHBondContact O-CB 3.28Å; S607-L611 PolarHBondContact O-N 2.89Å
608	R	91.2	Very high	91.6	Very high	168 Å²	168	56.1 Å²	56.1	63%	0.634	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-54.4	-25.4	178.7	67.5	178.4	177.4	-175.3	-6.4	114.7	E606	E606-R608 HydrophobicContact CB-CG 3.98Å; E606-R608 PolarHBondContact O-N 3.19Å; E606-R608 IonicContact OE1-CZ 3.45Å; E606-R608 IonicContact OE1-NE 3.6Å; E606-R608 IonicContact OE1-NH2 3.32Å; E606-R608 PolarHBondContact OE1-NH2 3.3Å; E606-R608 IonicContact OE2-CZ 3.02Å; E606-R608 IonicContact OE2-NE 2.76Å; E606-R608 PolarHBondContact OE2-NE 3.15Å; E606-R608 IonicContact OE2-NH2 3.96Å; E606-R608 PolarHBondContact OE2-NH2 2.69Å
609	N	91.6	Very high	91.3	Very high	63 Å²	63	53.5 Å²	53.5	34%	0.337	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-82.6	-23.6	-176.9	-61.8	-33.2	0	0	0	112.6	F584 E606 S607	F584-N609 HydrophobicContact CB-CB 4.27Å; F584-N609 VanDerWaalsContact CB-O 3.24Å; F584-N609 WeakPolarHBondContact CB-O 3.38Å; E606-N609 WeakPolarHBondContact O-CB 3.48Å; E606-N609 PolarHBondContact O-N 3.15Å; S607-N609 PolarHBondContact O-N 3.27Å
610	Y	92	Very high	91.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116	-28.7	-177.6	68.5	-106.9	0	0	0	113.5	G546 D547 F549 I605 S607 N612 H613 L614 L620 L643	G546-Y610 PolarHBondContact N-OH 2.9Å; D547-Y610 PolarHBondContact N-OH 3.13Å; D547-Y610 PolarHBondContact O-OH 3.09Å; F549-Y610 HydrophobicContact CD1-CE1 4.42Å; F549-Y610 HydrophobicContact CE1-CD1 4.45Å; F549-Y610 AromaticContact CE1-CE1 3.8Å; F549-Y610 HydrophobicContact CE1-CE1 3.8Å; I605-Y610 HydrophobicContact CG2-CD1 4.05Å; I605-Y610 HydrophobicContact CG2-CE1 4.33Å; S607-Y610 PolarHBondContact O-N 3.41Å; Y610-N612 PolarHBondContact O-N 3.28Å; Y610-H613 CarbonylContact O-C 3.46Å; Y610-H613 PolarHBondContact O-N 2.83Å; Y610-L614 HydrophobicContact CD2-CD1 4.25Å; Y610-L614 HydrophobicContact CD2-CD2 3.86Å; Y610-L614 HydrophobicContact CD2-CG 4.1Å; Y610-L614 HydrophobicContact CE2-CD1 4.35Å; Y610-L614 PolarHBondContact O-N 2.76Å; Y610-L614 VanDerWaalsContact O-N 3.13Å; Y610-L620 HydrophobicContact CD1-CD1 4.46Å; Y610-L620 HydrophobicContact CD2-CD2 4.44Å; Y610-L620 HydrophobicContact CG-CD1 4.48Å; Y610-L620 HydrophobicContact CG-CD2 4.35Å; Y610-L643 HydrophobicContact CD2-CD1 3.99Å; Y610-L643 HydrophobicContact CE2-CD1 3.5Å; Y610-L643 VanDerWaalsContact CE2-CD1 3.5Å
611	L	89.2	Confident	90.8	Very high	36 Å²	36	46.2 Å²	46.2	19%	0.188	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-59.2	-47	-166.6	-168.8	64.8	0	0	0	113.5	V545 S607 H613 L614 F674	V545-L611 HydrophobicContact CG1-CD1 3.81Å; S607-L611 WeakPolarHBondContact O-CB 3.28Å; S607-L611 PolarHBondContact O-N 2.89Å; L611-H613 PolarHBondContact O-N 2.94Å; L611-L614 HydrophobicContact CD1-CD1 3.91Å; L611-L614 PolarHBondContact O-N 3.28Å; L611-F674 HydrophobicContact CD2-CE1 3.89Å
612	N	86.9	Confident	90.7	Very high	140 Å²	140	43.3 Å²	43.3	75%	0.749	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-74.1	-4.7	179.9	-67.7	-19	0	0	0	113.9	Y610	Y610-N612 PolarHBondContact O-N 3.28Å
613	H	88.5	Confident	90.4	Very high	83 Å²	83	39.9 Å²	39.9	38%	0.384	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-113.1	-1.7	179.9	-59.6	-67.4	0	0	0	112.3	V573 N582 Y610 L611 V615	V573-H613 WeakPolarHBondContact CG1-O 3.4Å; V573-H613 HydrophobicContact CG2-CB 4.15Å; N582-H613 HydrophobicContact CB-CB 3.89Å; N582-H613 PolarHBondContact ND2-CD2 3.01Å; N582-H613 PolarHBondContact ND2-ND1 3.37Å; N582-H613 PolarHBondContact ND2-NE2 2.86Å; Y610-H613 CarbonylContact O-C 3.46Å; Y610-H613 PolarHBondContact O-N 2.83Å; L611-H613 PolarHBondContact O-N 2.94Å; H613-V615 PolarHBondContact O-N 2.89Å
614	L	88.1	Confident	90.4	Very high	44 Å²	44	39 Å²	39	23%	0.23	19%	0.192	C	C	.	.			trans	-57.3	130.2	178.8	-71.9	-177.2	0	0	0	110.1	V545 V573 Y610 L611 A618 L620 L643	V545-L614 HydrophobicContact CG1-CD1 3.81Å; V573-L614 HydrophobicContact CG1-CD2 4.33Å; V573-L614 HydrophobicContact CG2-CD2 4.33Å; Y610-L614 HydrophobicContact CD2-CD1 4.25Å; Y610-L614 HydrophobicContact CD2-CD2 3.86Å; Y610-L614 HydrophobicContact CD2-CG 4.1Å; Y610-L614 HydrophobicContact CE2-CD1 4.35Å; Y610-L614 PolarHBondContact O-N 2.76Å; Y610-L614 VanDerWaalsContact O-N 3.13Å; L611-L614 HydrophobicContact CD1-CD1 3.91Å; L611-L614 PolarHBondContact O-N 3.28Å; L614-A618 HydrophobicContact CD1-CB 4.19Å; L614-A618 HydrophobicContact CD2-CB 4.29Å; L614-L620 HydrophobicContact CD2-CD2 4.05Å; L614-L643 HydrophobicContact CD1-CD1 4.15Å; L614-L643 HydrophobicContact CD2-CD1 3.98Å
615	V	86.3	Confident	90.2	Very high	20 Å²	20	34 Å²	34	12%	0.121	17%	0.167	C	C	.	.			trans	-97.1	176.8	167.2	-57.2	0	0	0	0	108.4	V573 V574 Y575 H613 A618	V573-V615 HydrophobicContact CG1-CG1 4.37Å; V573-V615 HydrophobicContact CG1-CG2 3.98Å; V574-V615 VanDerWaalsContact O-CG2 3.28Å; V574-V615 WeakPolarHBondContact O-CG2 3.41Å; Y575-V615 HydrophobicContact CD1-CB 3.96Å; Y575-V615 HydrophobicContact CD1-CG1 4.43Å; Y575-V615 HydrophobicContact CD1-CG2 3.81Å; Y575-V615 HydrophobicContact CD2-CG2 4.28Å; Y575-V615 HydrophobicContact CE1-CB 3.7Å; Y575-V615 HydrophobicContact CE1-CG1 3.85Å; Y575-V615 HydrophobicContact CE1-CG2 4.07Å; Y575-V615 HydrophobicContact CE2-CG1 3.98Å; Y575-V615 HydrophobicContact CG-CB 4.47Å; Y575-V615 HydrophobicContact CG-CG2 3.93Å; H613-V615 PolarHBondContact O-N 2.89Å; V615-A618 PolarHBondContact O-N 2.67Å; V615-A618 VanDerWaalsContact O-N 3.12Å
616	E	80.9	Confident	89.9	Confident	3 Å²	3	33.8 Å²	33.8	1%	0.014	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-53.4	148.4	177.6	70.2	-160.7	155.5	0	0	112.8	Y303 T310 Q333 A618	Y303-E616 PolarHBondContact OH-OE1 3.45Å; Y303-E616 VanDerWaalsContact OH-OE1 3.09Å; Y303-E616 PolarHBondContact OH-OE2 3.15Å; T310-E616 HydrophobicContact CG2-CB 4.41Å; Q333-E616 PolarHBondContact NE2-OE1 2.89Å; Q333-E616 PolarHBondContact NE2-OE2 2.82Å; Q333-E616 PolarHBondContact OE1-OE1 3.02Å; E616-A618 PolarHBondContact O-N 2.73Å; E616-A618 VanDerWaalsContact O-N 3.1Å
617	Q	85.5	Confident	89.7	Confident	7 Å²	7	34.2 Å²	34.2	3%	0.033	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	62	3	-172.9	-26.4	-162.7	20.9	0	0	116.5	Y392 Y576 N619 Q732	Y392-Q617 VanDerWaalsContact CE1-OE1 3.31Å; Y392-Q617 PolarHBondContact OH-NE2 2.91Å; Y392-Q617 PolarHBondContact OH-OE1 2.89Å; Y576-Q617 VanDerWaalsContact CD1-NE2 3.29Å; Q617-N619 PolarHBondContact O-N 2.75Å; Q617-Q732 VanDerWaalsContact CB-OE1 3.24Å
618	A	89.4	Confident	89.8	Confident	8 Å²	8	33 Å²	33	7%	0.066	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	48.3	49.3	166.8	0	0	0	0	0	114.5	V545 L614 V615 E616 L643	V545-A618 HydrophobicContact CG2-CB 3.97Å; L614-A618 HydrophobicContact CD1-CB 4.19Å; L614-A618 HydrophobicContact CD2-CB 4.29Å; V615-A618 PolarHBondContact O-N 2.67Å; V615-A618 VanDerWaalsContact O-N 3.12Å; E616-A618 PolarHBondContact O-N 2.73Å; E616-A618 VanDerWaalsContact O-N 3.1Å; A618-L643 HydrophobicContact CB-CB 3.92Å; A618-L643 HydrophobicContact CB-CD1 4.36Å; A618-L643 HydrophobicContact CB-CG 4.46Å; A618-L643 WeakPolarHBondContact O-CB 3.34Å; A618-L643 WeakPolarHBondContact O-CG 3.33Å; A618-L643 PolarHBondContact O-N 3.17Å
619	N	91.4	Very high	89.9	Confident	1 Å²	1	30.3 Å²	30.3	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	134.2	179.6	-64.7	-56.3	0	0	0	111.9	V574 Q617 V640 T642	V574-N619 HydrophobicContact CG2-CB 3.71Å; V574-N619 PolarHBondContact N-O 3.04Å; Q617-N619 PolarHBondContact O-N 2.75Å; N619-V640 HydrophobicContact CB-CG1 4.03Å; N619-T642 WeakPolarHBondContact OD1-CB 3.48Å; N619-T642 PolarHBondContact OD1-OG1 2.89Å
620	L	92.6	Very high	90	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	123.6	171	-51.7	-176.6	0	0	0	109.1	F549 S572 V573 F584 Y610 L614 F622 V640 V641 L643	F549-L620 HydrophobicContact CE1-CD1 4.09Å; F549-L620 HydrophobicContact CZ-CD1 3.87Å; S572-L620 CarbonylContact O-C 3.27Å; S572-L620 WeakPolarHBondContact O-CA 3.43Å; V573-L620 HydrophobicContact CG2-CD2 4Å; F584-L620 HydrophobicContact CE1-CB 4.28Å; F584-L620 HydrophobicContact CE1-CD2 3.78Å; F584-L620 HydrophobicContact CE1-CG 4.41Å; F584-L620 HydrophobicContact CZ-CB 4.25Å; F584-L620 HydrophobicContact CZ-CD1 4.13Å; F584-L620 HydrophobicContact CZ-CD2 4.23Å; F584-L620 HydrophobicContact CZ-CG 4.44Å; Y610-L620 HydrophobicContact CD1-CD1 4.46Å; Y610-L620 HydrophobicContact CD2-CD2 4.44Å; Y610-L620 HydrophobicContact CG-CD1 4.48Å; Y610-L620 HydrophobicContact CG-CD2 4.35Å; L614-L620 HydrophobicContact CD2-CD2 4.05Å; L620-F622 HydrophobicContact CB-CE2 3.88Å; L620-F622 HydrophobicContact CB-CZ 4.37Å; L620-F622 HydrophobicContact CD1-CZ 4.47Å; L620-V640 CarbonylContact O-C 3.48Å; L620-V640 WeakPolarHBondContact O-CA 3.41Å; L620-V641 PolarHBondContact N-O 3.06Å; L620-V641 PolarHBondContact O-N 3.43Å; L620-L643 HydrophobicContact CD1-CD1 4.18Å; L620-L643 HydrophobicContact CD1-CD2 3.92Å; L620-L643 HydrophobicContact CD1-CG 4.23Å; L620-L643 HydrophobicContact CD2-CD1 4.43Å; L620-L643 HydrophobicContact CG-CD1 4.24Å; L620-L643 HydrophobicContact CG-CD2 4.36Å; L620-L643 HydrophobicContact CG-CG 4.21Å
621	N	91.4	Very high	90	Very high	22 Å²	22	33.8 Å²	33.8	12%	0.118	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	125.3	174.5	-172	16.6	0	0	0	110.2	G571 S572 V574 K639 V640	G571-N621 CarbonylContact C-O 3.57Å; G571-N621 WeakPolarHBondContact CA-O 3.39Å; S572-N621 PolarHBondContact N-O 3.25Å; S572-N621 PolarHBondContact O-N 3.49Å; V574-N621 HydrophobicContact CB-CB 4.29Å; V574-N621 HydrophobicContact CG1-CB 3.41Å; V574-N621 VanDerWaalsContact CG1-CB 3.41Å; V574-N621 HydrophobicContact CG2-CB 3.82Å; N621-K639 PolarHBondContact OD1-O 3.19Å; N621-V640 HydrophobicContact CB-CG2 4.45Å
622	F	91.8	Very high	89.9	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	126.4	173.3	-64.7	-85.1	0	0	0	109.6	F549 F551 S570 F584 L585 L620 M638 K639 V641	F549-F622 AromaticContact CE2-CZ 3.95Å; F549-F622 HydrophobicContact CE2-CZ 3.95Å; F549-F622 HydrophobicContact CZ-CE2 4.48Å; F549-F622 AromaticContact CZ-CZ 3.87Å; F549-F622 HydrophobicContact CZ-CZ 3.87Å; F551-F622 HydrophobicContact CD1-CD1 4.13Å; F551-F622 HydrophobicContact CD1-CE1 4.35Å; F551-F622 HydrophobicContact CD2-CD1 4.03Å; F551-F622 HydrophobicContact CD2-CD2 4.34Å; F551-F622 HydrophobicContact CD2-CE1 4.05Å; F551-F622 HydrophobicContact CD2-CE2 4.35Å; F551-F622 HydrophobicContact CD2-CG 4.17Å; F551-F622 HydrophobicContact CD2-CZ 4.2Å; F551-F622 HydrophobicContact CE1-CB 4.33Å; F551-F622 AromaticContact CE1-CD1 3.81Å; F551-F622 HydrophobicContact CE1-CD1 3.81Å; F551-F622 HydrophobicContact CE1-CE1 4.47Å; F551-F622 HydrophobicContact CE1-CG 4.23Å; F551-F622 HydrophobicContact CE2-CB 3.88Å; F551-F622 AromaticContact CE2-CD1 3.73Å; F551-F622 HydrophobicContact CE2-CD1 3.73Å; F551-F622 AromaticContact CE2-CD2 3.84Å; F551-F622 HydrophobicContact CE2-CD2 3.84Å; F551-F622 HydrophobicContact CE2-CE1 4.21Å; F551-F622 HydrophobicContact CE2-CE2 4.31Å; F551-F622 AromaticContact CE2-CG 3.52Å; F551-F622 HydrophobicContact CE2-CG 3.52Å; F551-F622 HydrophobicContact CE2-CZ 4.47Å; F551-F622 HydrophobicContact CG-CD1 4.23Å; F551-F622 HydrophobicContact CG-CE1 4.13Å; F551-F622 HydrophobicContact CZ-CB 3.52Å; F551-F622 AromaticContact CZ-CD1 3.61Å; F551-F622 HydrophobicContact CZ-CD1 3.61Å; F551-F622 HydrophobicContact CZ-CD2 4.33Å; F551-F622 HydrophobicContact CZ-CE1 4.41Å; F551-F622 AromaticContact CZ-CG 3.56Å; F551-F622 HydrophobicContact CZ-CG 3.56Å; S570-F622 WeakPolarHBondContact O-CA 3.34Å; F584-F622 HydrophobicContact CE2-CE1 4.09Å; F584-F622 HydrophobicContact CE2-CZ 4.21Å; F584-F622 AromaticContact CZ-CE1 3.88Å; F584-F622 HydrophobicContact CZ-CE1 3.88Å; F584-F622 AromaticContact CZ-CZ 3.77Å; F584-F622 HydrophobicContact CZ-CZ 3.77Å; L585-F622 HydrophobicContact CD2-CD1 4.27Å; L585-F622 HydrophobicContact CD2-CE1 4.07Å; L620-F622 HydrophobicContact CB-CE2 3.88Å; L620-F622 HydrophobicContact CB-CZ 4.37Å; L620-F622 HydrophobicContact CD1-CZ 4.47Å; F622-M638 CarbonylContact O-C 3.59Å; F622-M638 VanDerWaalsContact O-CA 3.29Å; F622-M638 WeakPolarHBondContact O-CA 3.48Å; F622-K639 PolarHBondContact N-O 2.95Å; F622-K639 PolarHBondContact O-N 3Å; F622-V641 HydrophobicContact CD2-CG2 4.01Å; F622-V641 HydrophobicContact CE2-CB 4.36Å; F622-V641 HydrophobicContact CE2-CG2 4Å
623	I	89.9	Confident	90	Very high	18 Å²	18	31.8 Å²	31.8	9%	0.092	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	123.7	177.1	-52.9	176	0	0	0	106.8	I380 S570 T625 M638	I380-I623 HydrophobicContact CD1-CB 4.45Å; I380-I623 HydrophobicContact CD1-CD1 3.68Å; I380-I623 HydrophobicContact CD1-CG2 3.44Å; I380-I623 VanDerWaalsContact CD1-CG2 3.44Å; I380-I623 HydrophobicContact CG1-CG2 4.39Å; S570-I623 PolarHBondContact N-O 3.29Å; S570-I623 PolarHBondContact O-N 2.92Å; S570-I623 PolarHBondContact OG-O 3.4Å; I623-T625 HydrophobicContact CG2-CG2 4.01Å; I623-M638 HydrophobicContact CB-CG 4.4Å; I623-M638 HydrophobicContact CD1-CE 3.75Å; I623-M638 HydrophobicContact CG1-CE 3.87Å; I623-M638 HydrophobicContact CG1-CG 4.2Å; I623-M638 HydrophobicContact CG2-CG 3.97Å
624	V	93.1	Very high	90	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	120	169.1	-177	0	0	0	0	107.6	V536 L538 V553 F555 Y568 V569 S636 A637	V536-V624 HydrophobicContact CG1-CB 3.97Å; V536-V624 HydrophobicContact CG1-CG1 3.74Å; L538-V624 HydrophobicContact CD2-CB 4.3Å; L538-V624 HydrophobicContact CD2-CG2 3.58Å; V553-V624 HydrophobicContact CG1-CG1 4.25Å; V553-V624 HydrophobicContact CG1-CG2 4.14Å; V553-V624 HydrophobicContact CG2-CG2 4.05Å; F555-V624 HydrophobicContact CZ-CG1 4.37Å; Y568-V624 VanDerWaalsContact O-CA 3.31Å; Y568-V624 WeakPolarHBondContact O-CA 3.24Å; V569-V624 HydrophobicContact CB-CG2 4.38Å; V569-V624 HydrophobicContact CG1-CG2 4.03Å; V569-V624 HydrophobicContact CG2-CG1 4.09Å; V569-V624 HydrophobicContact CG2-CG2 3.94Å; V624-S636 CarbonylContact O-C 3.56Å; V624-S636 WeakPolarHBondContact O-CA 3.49Å; V624-A637 PolarHBondContact N-O 3.12Å; V624-A637 PolarHBondContact O-N 3.39Å; V624-A637 VanDerWaalsContact O-O 3.09Å
625	T	91.8	Very high	90.1	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.018	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	159.1	168.8	60.1	0	0	0	0	109.2	L374 G378 I380 A567 Y568 I623 V635	L374-T625 HydrophobicContact CD2-CG2 4.39Å; G378-T625 WeakPolarHBondContact O-CB 3.34Å; G378-T625 PolarHBondContact O-OG1 2.83Å; I380-T625 HydrophobicContact CG1-CG2 4.32Å; A567-T625 CarbonylContact C-O 3.59Å; A567-T625 VanDerWaalsContact CA-O 3.29Å; A567-T625 WeakPolarHBondContact CA-O 3.3Å; Y568-T625 PolarHBondContact N-O 3.14Å; Y568-T625 PolarHBondContact O-N 3.26Å; I623-T625 HydrophobicContact CG2-CG2 4.01Å; T625-V635 CarbonylContact C-O 3.55Å; T625-V635 VanDerWaalsContact CA-O 3.3Å; T625-V635 WeakPolarHBondContact CA-O 3.29Å
626	G	89.3	Confident	90.2	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.6	164.5	175.3	0	0	0	0	0	113.3	E566 I634 V635	E566-G626 CarbonylContact O-C 3.58Å; E566-G626 WeakPolarHBondContact O-CA 3.09Å; G626-I634 CarbonylContact O-C 3.49Å; G626-I634 VanDerWaalsContact O-CA 3.27Å; G626-I634 WeakPolarHBondContact O-CA 3.49Å; G626-V635 PolarHBondContact N-O 2.7Å; G626-V635 PolarHBondContact O-N 3.15Å
627	K	91.4	Very high	90.6	Very high	77 Å²	77	26.4 Å²	26.4	34%	0.335	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	129	178.4	-167.6	172.9	-173.6	170.7	0	110.3	E566 K629 R633 I634	E566-K627 PolarHBondContact N-O 3.03Å; E566-K627 PolarHBondContact O-N 2.83Å; K627-K629 PolarHBondContact O-N 2.88Å; K627-R633 WeakPolarHBondContact CA-O 3.34Å; K627-I634 HydrophobicContact CB-CD1 3.99Å; K627-I634 HydrophobicContact CD-CD1 4.47Å; K627-I634 HydrophobicContact CG-CD1 4.07Å
628	I	93.3	Very high	90.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	118.3	172.5	-56	179.4	0	0	0	107.6	A532 D533 V534 R563 T564 V565 E630 T631 G632 R633 V635	A532-I628 HydrophobicContact CB-CD1 3.99Å; D533-I628 WeakPolarHBondContact OD1-CD1 3.49Å; V534-I628 HydrophobicContact CB-CD1 3.88Å; V534-I628 HydrophobicContact CG2-CD1 3.82Å; R563-I628 HydrophobicContact CB-CG2 4.24Å; R563-I628 HydrophobicContact CG-CG2 4.31Å; T564-I628 WeakPolarHBondContact O-CA 3.02Å; V565-I628 HydrophobicContact CG2-CG1 4.37Å; I628-E630 VanDerWaalsContact C-N 3.29Å; I628-E630 PolarHBondContact O-N 2.83Å; I628-T631 WeakPolarHBondContact CB-OG1 3.46Å; I628-T631 HydrophobicContact CG2-CG2 4.38Å; I628-T631 WeakPolarHBondContact CG2-OG1 3.44Å; I628-T631 PolarHBondContact O-N 2.84Å; I628-G632 VanDerWaalsContact O-CA 3.28Å; I628-G632 WeakPolarHBondContact O-CA 3.47Å; I628-G632 PolarHBondContact O-N 2.84Å; I628-R633 HydrophobicContact CD1-CB 4.34Å; I628-R633 PolarHBondContact N-O 3.21Å; I628-V635 HydrophobicContact CD1-CG1 3.89Å; I628-V635 HydrophobicContact CG1-CG1 4.01Å
629	K	93.4	Very high	90.6	Very high	111 Å²	111	29 Å²	29	48%	0.483	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-43	-175.8	-70.7	-165.8	-178.8	-155.1	0	112.6	T564 E566 K627	T564-K629 HydrophobicContact CG2-CD 3.87Å; T564-K629 HydrophobicContact CG2-CG 4.3Å; T564-K629 PolarHBondContact O-N 2.73Å; E566-K629 HydrophobicContact CG-CD 4.49Å; E566-K629 HydrophobicContact CG-CG 4.26Å; E566-K629 WeakPolarHBondContact OE1-CE 3.18Å; E566-K629 IonicContact OE1-NZ 3.4Å; E566-K629 PolarHBondContact OE1-NZ 3.45Å; K627-K629 PolarHBondContact O-N 2.88Å
630	E	94.4	Very high	90.5	Very high	86 Å²	86	29.7 Å²	29.7	40%	0.402	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-29.4	-170.6	-61.9	80.6	-176.3	0	0	112.9	T564 I628	T564-E630 VanDerWaalsContact CB-OE1 3.28Å; T564-E630 WeakPolarHBondContact CB-OE1 3.26Å; T564-E630 PolarHBondContact N-OE1 2.83Å; T564-E630 VanDerWaalsContact N-OE1 3.13Å; T564-E630 PolarHBondContact N-OE2 3.14Å; T564-E630 PolarHBondContact OG1-OE1 3.23Å; I628-E630 VanDerWaalsContact C-N 3.29Å; I628-E630 PolarHBondContact O-N 2.83Å
631	T	91.3	Very high	90.4	Very high	51 Å²	51	30 Å²	30	31%	0.313	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-13.6	-174.7	64	0	0	0	0	113.3	I628 R633	I628-T631 WeakPolarHBondContact CB-OG1 3.46Å; I628-T631 HydrophobicContact CG2-CG2 4.38Å; I628-T631 WeakPolarHBondContact CG2-OG1 3.44Å; I628-T631 PolarHBondContact O-N 2.84Å; T631-R633 PolarHBondContact O-N 2.84Å; T631-R633 WeakPolarHBondContact OG1-CB 3.29Å; T631-R633 WeakPolarHBondContact OG1-CG 3.5Å; T631-R633 PolarHBondContact OG1-N 3.08Å
632	G	87.7	Confident	90.4	Very high	37 Å²	37	29.5 Å²	29.5	38%	0.381	15%	0.151	S	C	.	.			trans	69.5	3.6	-172.9	0	0	0	0	0	114.3	I628	I628-G632 VanDerWaalsContact O-CA 3.28Å; I628-G632 WeakPolarHBondContact O-CA 3.47Å; I628-G632 PolarHBondContact O-N 2.84Å
633	R	89.1	Confident	90.4	Very high	96 Å²	96	29.7 Å²	29.7	36%	0.362	15%	0.152	S	C	.	.	P	Polyproline II helix	trans	-75.5	150.7	-175.6	-61.9	-68.6	168.8	-159.4	-6.1	111.9	A532 K627 I628 T631	A532-R633 HydrophobicContact CB-CB 4.1Å; K627-R633 WeakPolarHBondContact CA-O 3.34Å; I628-R633 HydrophobicContact CD1-CB 4.34Å; I628-R633 PolarHBondContact N-O 3.21Å; T631-R633 PolarHBondContact O-N 2.84Å; T631-R633 WeakPolarHBondContact OG1-CB 3.29Å; T631-R633 WeakPolarHBondContact OG1-CG 3.5Å; T631-R633 PolarHBondContact OG1-N 3.08Å
634	I	87.7	Confident	90.5	Very high	15 Å²	15	31.8 Å²	31.8	8%	0.077	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	129.2	178.7	-60.9	-61.2	0	0	0	110.3	L374 V473 G626 K627	L374-I634 HydrophobicContact CD1-CG2 3.92Å; V473-I634 HydrophobicContact CB-CB 4.49Å; V473-I634 HydrophobicContact CB-CG1 4.13Å; V473-I634 HydrophobicContact CG1-CG1 4.44Å; V473-I634 HydrophobicContact CG2-CB 4.43Å; V473-I634 HydrophobicContact CG2-CG1 4.13Å; G626-I634 CarbonylContact O-C 3.49Å; G626-I634 VanDerWaalsContact O-CA 3.27Å; G626-I634 WeakPolarHBondContact O-CA 3.49Å; K627-I634 HydrophobicContact CB-CD1 3.99Å; K627-I634 HydrophobicContact CD-CD1 4.47Å; K627-I634 HydrophobicContact CG-CD1 4.07Å
635	V	90.4	Very high	90.4	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.012	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	144.5	166.1	-60.7	0	0	0	0	109.2	A532 V534 V536 V565 T625 G626 I628	A532-V635 HydrophobicContact CB-CG1 3.81Å; V534-V635 HydrophobicContact CB-CG1 4.19Å; V534-V635 WeakPolarHBondContact O-CG1 3.47Å; V536-V635 HydrophobicContact CG2-CB 3.79Å; V536-V635 HydrophobicContact CG2-CG2 3.7Å; V565-V635 HydrophobicContact CG1-CG2 3.74Å; T625-V635 CarbonylContact C-O 3.55Å; T625-V635 VanDerWaalsContact CA-O 3.3Å; T625-V635 WeakPolarHBondContact CA-O 3.29Å; G626-V635 PolarHBondContact N-O 2.7Å; G626-V635 PolarHBondContact O-N 3.15Å; I628-V635 HydrophobicContact CD1-CG1 3.89Å; I628-V635 HydrophobicContact CG1-CG1 4.01Å
636	S	88.6	Confident	90.4	Very high	8 Å²	8	35 Å²	35	6%	0.056	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	133.2	176.7	173.3	0	0	0	0	112	K474 V624	K474-S636 PolarHBondContact NZ-O 2.95Å; K474-S636 VanDerWaalsContact NZ-O 3.08Å; V624-S636 CarbonylContact O-C 3.56Å; V624-S636 WeakPolarHBondContact O-CA 3.49Å
637	A	89.3	Confident	90.6	Very high	12 Å²	12	43.7 Å²	43.7	10%	0.099	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	147.7	170.4	0	0	0	0	0	109.7	V536 L538 V624	V536-A637 HydrophobicContact CB-CB 3.97Å; V536-A637 HydrophobicContact CG1-CB 3.8Å; V536-A637 WeakPolarHBondContact O-CB 3.45Å; L538-A637 HydrophobicContact CD1-CB 3.91Å; L538-A637 HydrophobicContact CD2-CB 4.31Å; L538-A637 HydrophobicContact CG-CB 3.8Å; V624-A637 PolarHBondContact N-O 3.12Å; V624-A637 PolarHBondContact O-N 3.39Å; V624-A637 VanDerWaalsContact O-O 3.09Å
638	M	87.6	Confident	90.7	Very high	50 Å²	50	40.3 Å²	40.3	25%	0.246	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	140.8	179.6	-62.2	174.3	73.4	0	0	108.2	I372 F461 F622 I623	I372-M638 HydrophobicContact CD1-SD 4.13Å; F461-M638 HydrophobicContact CZ-SD 4.28Å; F622-M638 CarbonylContact O-C 3.59Å; F622-M638 VanDerWaalsContact O-CA 3.29Å; F622-M638 WeakPolarHBondContact O-CA 3.48Å; I623-M638 HydrophobicContact CB-CG 4.4Å; I623-M638 HydrophobicContact CD1-CE 3.75Å; I623-M638 HydrophobicContact CG1-CE 3.87Å; I623-M638 HydrophobicContact CG1-CG 4.2Å; I623-M638 HydrophobicContact CG2-CG 3.97Å
639	K	87.9	Confident	90.9	Very high	19 Å²	19	43.6 Å²	43.6	8%	0.083	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	130.8	177.3	-175.7	165.7	-175.3	135.1	0	110.7	D238 L538 P539 T540 N621 F622 V641	D238-K639 WeakPolarHBondContact OD2-CE 3.4Å; D238-K639 IonicContact OD2-NZ 3.69Å; D238-K639 PolarHBondContact OD2-NZ 2.87Å; L538-K639 HydrophobicContact CB-CB 4.13Å; L538-K639 HydrophobicContact CB-CD 4.17Å; L538-K639 HydrophobicContact CD1-CB 3.61Å; P539-K639 WeakPolarHBondContact O-CD 3.23Å; P539-K639 WeakPolarHBondContact O-CE 3.48Å; P539-K639 PolarHBondContact O-NZ 3.19Å; P539-K639 VanDerWaalsContact O-NZ 3.11Å; T540-K639 VanDerWaalsContact CA-NZ 3.31Å; T540-K639 PolarHBondContact OG1-NZ 3.36Å; T540-K639 VanDerWaalsContact OG1-NZ 3.1Å; N621-K639 PolarHBondContact OD1-O 3.19Å; F622-K639 PolarHBondContact N-O 2.95Å; F622-K639 PolarHBondContact O-N 3Å; K639-V641 HydrophobicContact CG-CG2 4.28Å
640	V	88.9	Confident	91.1	Very high	17 Å²	17	39 Å²	39	10%	0.103	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	135.1	167.3	-178.6	0	0	0	0	107.9	N619 L620 N621	N619-V640 HydrophobicContact CB-CG1 4.03Å; L620-V640 CarbonylContact O-C 3.48Å; L620-V640 WeakPolarHBondContact O-CA 3.41Å; N621-V640 HydrophobicContact CB-CG2 4.45Å
641	V	91.1	Very high	91.2	Very high	6 Å²	6	40.1 Å²	40.1	4%	0.036	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	116.3	174.6	-179.8	0	0	0	0	107.1	L541 I543 L620 F622 K639	L541-V641 HydrophobicContact CB-CG1 4.13Å; L541-V641 HydrophobicContact CB-CG2 4.44Å; L541-V641 HydrophobicContact CD1-CG2 4.23Å; I543-V641 HydrophobicContact CD1-CG1 4.17Å; L620-V641 PolarHBondContact N-O 3.06Å; L620-V641 PolarHBondContact O-N 3.43Å; F622-V641 HydrophobicContact CD2-CG2 4.01Å; F622-V641 HydrophobicContact CE2-CB 4.36Å; F622-V641 HydrophobicContact CE2-CG2 4Å; K639-V641 HydrophobicContact CG-CG2 4.28Å
642	T	91	Very high	91.3	Very high	12 Å²	12	39.2 Å²	39.2	7%	0.074	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	121.6	176.4	-58.7	0	0	0	0	108.7	N619	N619-T642 WeakPolarHBondContact OD1-CB 3.48Å; N619-T642 PolarHBondContact OD1-OG1 2.89Å
643	L	92.2	Very high	91.3	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.016	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-75.7	133.7	178	-58.9	179.4	0	0	0	110.7	I543 V545 Y610 L614 A618 L620 T645	I543-L643 HydrophobicContact CB-CD2 3.8Å; I543-L643 HydrophobicContact CG2-CD2 3.64Å; I543-L643 CarbonylContact O-C 3.57Å; I543-L643 WeakPolarHBondContact O-CA 3.41Å; V545-L643 HydrophobicContact CG2-CB 3.62Å; V545-L643 HydrophobicContact CG2-CD1 4.39Å; Y610-L643 HydrophobicContact CD2-CD1 3.99Å; Y610-L643 HydrophobicContact CE2-CD1 3.5Å; Y610-L643 VanDerWaalsContact CE2-CD1 3.5Å; L614-L643 HydrophobicContact CD1-CD1 4.15Å; L614-L643 HydrophobicContact CD2-CD1 3.98Å; A618-L643 HydrophobicContact CB-CB 3.92Å; A618-L643 HydrophobicContact CB-CD1 4.36Å; A618-L643 HydrophobicContact CB-CG 4.46Å; A618-L643 WeakPolarHBondContact O-CB 3.34Å; A618-L643 WeakPolarHBondContact O-CG 3.33Å; A618-L643 PolarHBondContact O-N 3.17Å; L620-L643 HydrophobicContact CD1-CD1 4.18Å; L620-L643 HydrophobicContact CD1-CD2 3.92Å; L620-L643 HydrophobicContact CD1-CG 4.23Å; L620-L643 HydrophobicContact CD2-CD1 4.43Å; L620-L643 HydrophobicContact CG-CD1 4.24Å; L620-L643 HydrophobicContact CG-CD2 4.36Å; L620-L643 HydrophobicContact CG-CG 4.21Å; L643-T645 PolarHBondContact O-N 3.07Å
644	H	91.4	Very high	90.5	Very high	62 Å²	62	38.8 Å²	38.8	29%	0.287	23%	0.225	S	C	.	.	B	Isolated β-bridge	trans	-73.3	124	179.3	-67.1	178.4	0	0	0	110.6	D239 I543 S544 V545	D239-H644 IonicContact OD1-NE2 2.73Å; D239-H644 IonicContact OD2-CD2 3.75Å; D239-H644 IonicContact OD2-CE1 3.81Å; D239-H644 IonicContact OD2-NE2 3.73Å; D239-H644 PolarHBondContact OD2-NE2 2.86Å; I543-H644 PolarHBondContact O-N 2.71Å; S544-H644 WeakPolarHBondContact CA-O 3.44Å; V545-H644 PolarHBondContact N-O 3.41Å
645	T	91.1	Very high	89.4	Confident	38 Å²	38	41 Å²	41	23%	0.233	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-80.5	149.3	175	54.6	0	0	0	0	110.6	V545 L643 Q732	V545-T645 HydrophobicContact CG2-CG2 4.16Å; L643-T645 PolarHBondContact O-N 3.07Å; T645-Q732 PolarHBondContact OG1-O 3Å
646	P	91.9	Very high	88.8	Confident	32 Å²	32	41.2 Å²	41.2	21%	0.208	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-57.7	143.4	171.9	-19.5	30.7	0	0	0	110.7	F668 P671 V733	P646-F668 HydrophobicContact CB-CE2 4.09Å; P646-P671 HydrophobicContact CB-CG 4.25Å; P646-P671 HydrophobicContact CG-CG 3.58Å; P646-V733 WeakPolarHBondContact O-CG1 2.96Å
647	K	92.2	Very high	88.8	Confident	183 Å²	183	46.4 Å²	46.4	80%	0.796	27%	0.272	S	S	*	.	P	Polyproline II helix	trans	-87.2	149.7	-179.9	-68	-177.5	-179.3	177.4	0	111.3
648	L	94.8	Very high	88.9	Confident	7 Å²	7	47 Å²	47	4%	0.037	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-96.8	130.4	172.5	-176.6	150.9	0	0	0	108.8	V650 V666 L681 A723 L725 V733 S734 G735	L648-V650 HydrophobicContact CD2-CG2 3.37Å; L648-V666 HydrophobicContact CD1-CG1 3.77Å; L648-V666 HydrophobicContact CD2-CB 4.25Å; L648-V666 HydrophobicContact CD2-CG1 3.48Å; L648-V666 VanDerWaalsContact CD2-CG1 3.48Å; L648-V666 HydrophobicContact CD2-CG2 4.06Å; L648-V666 HydrophobicContact CG-CG1 3.74Å; L648-L681 HydrophobicContact CD1-CD2 3.69Å; L648-A723 HydrophobicContact CD2-CB 3.67Å; L648-L725 HydrophobicContact CD1-CB 3.82Å; L648-V733 HydrophobicContact CB-CG1 3.81Å; L648-V733 HydrophobicContact CD1-CG1 4.29Å; L648-S734 PolarHBondContact N-O 3.28Å; L648-S734 VanDerWaalsContact N-O 3.11Å; L648-G735 WeakPolarHBondContact O-CA 3.49Å
649	T	97.3	Very high	89	Confident	68 Å²	68	49.8 Å²	49.8	42%	0.417	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	124.4	178.8	-59.1	0	0	0	0	108.3	E651 V666 Q667	T649-E651 HydrophobicContact CG2-CG 4.23Å; T649-V666 CarbonylContact O-C 3.33Å; T649-V666 WeakPolarHBondContact O-CA 3.5Å; T649-Q667 PolarHBondContact N-O 2.73Å; T649-Q667 PolarHBondContact O-N 2.82Å
650	V	96.7	Very high	89.2	Confident	14 Å²	14	53.4 Å²	53.4	9%	0.085	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	127.4	174	-174.6	0	0	0	0	107.7	L648 T665 V666 V721 A723 G735 A737	L648-V650 HydrophobicContact CD2-CG2 3.37Å; V650-T665 WeakPolarHBondContact CA-O 3.37Å; V650-V666 HydrophobicContact CG2-CG2 4.35Å; V650-V721 HydrophobicContact CG1-CB 4.39Å; V650-V721 HydrophobicContact CG1-CG1 4Å; V650-A723 HydrophobicContact CG2-CB 3.93Å; V650-G735 VanDerWaalsContact CG2-C 3.42Å; V650-A737 HydrophobicContact CB-CB 4.14Å; V650-A737 HydrophobicContact CG1-CB 3.81Å
651	E	96	Very high	89.4	Confident	110 Å²	110	58.9 Å²	58.9	51%	0.514	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	143.5	175.1	-66.3	-178.9	171.8	0	0	109.1	T649 A664 T665	T649-E651 HydrophobicContact CG2-CG 4.23Å; E651-A664 CarbonylContact O-C 3.48Å; E651-A664 WeakPolarHBondContact O-CA 3.42Å; E651-T665 PolarHBondContact N-O 3.4Å; E651-T665 PolarHBondContact O-N 3.23Å
652	V	94.1	Very high	89.5	Confident	32 Å²	32	59 Å²	59	19%	0.194	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	137.7	174.1	-177.2	0	0	0	0	108.6	G654 M662 M663 A664 F711 V721 A737 I739	V652-G654 PolarHBondContact O-N 3.15Å; V652-M662 HydrophobicContact CG1-CE 3.63Å; V652-M663 CarbonylContact C-O 3.57Å; V652-M663 VanDerWaalsContact CA-O 3.31Å; V652-M663 WeakPolarHBondContact CA-O 3.45Å; V652-A664 HydrophobicContact CG2-CB 4.23Å; V652-F711 HydrophobicContact CG1-CE1 4.14Å; V652-F711 HydrophobicContact CG1-CZ 3.94Å; V652-V721 HydrophobicContact CG2-CB 4.04Å; V652-V721 HydrophobicContact CG2-CG2 3.88Å; V652-A737 HydrophobicContact CG2-CB 3.82Å; V652-I739 HydrophobicContact CB-CG2 3.71Å; V652-I739 HydrophobicContact CG1-CG2 3.77Å; V652-I739 HydrophobicContact CG2-CG2 3.76Å
653	S	88.2	Confident	89.7	Confident	43 Å²	43	62.9 Å²	62.9	30%	0.301	35%	0.351	S	S	.	.			trans	-56	135.2	176	57.7	0	0	0	0	111.2	M662 M663	S653-M662 VanDerWaalsContact O-CE 3.23Å; S653-M662 WeakPolarHBondContact O-CE 3.3Å; S653-M663 PolarHBondContact N-O 3.19Å; S653-M663 PolarHBondContact OG-N 2.83Å; S653-M663 PolarHBondContact OG-O 3.41Å
654	G	71.9	Confident	89.9	Confident	82 Å²	82	62.8 Å²	62.8	85%	0.845	35%	0.35	S	S	*	.	S	Bend	trans	-69.9	151.5	-175.3	0	0	0	0	0	114.4	V652	V652-G654 PolarHBondContact O-N 3.15Å
655	G	65.8	Low	90.2	Very high	62 Å²	62	61 Å²	61	64%	0.639	34%	0.344	S	S	*	.			trans	85.4	42.2	170.7	0	0	0	0	0	116.1	R657	G655-R657 PolarHBondContact O-N 3.32Å
656	G	77.1	Confident	90.5	Very high	6 Å²	6	59.2 Å²	59.2	6%	0.062	33%	0.333	C	S	.	.			trans	-67.8	126	-176.6	0	0	0	0	0	114	M662 V741 E742	G656-M662 VanDerWaalsContact CA-CE 3.41Å; G656-M662 WeakPolarHBondContact CA-SD 3.25Å; G656-V741 CarbonylContact O-C 3.49Å; G656-V741 WeakPolarHBondContact O-CA 3.31Å; G656-E742 PolarHBondContact O-N 3.48Å
657	R	88.8	Confident	90.7	Very high	116 Å²	116	61.2 Å²	61.2	44%	0.438	34%	0.34	S	S	.	.	B	Isolated β-bridge	trans	-120	152.9	170.5	-78.5	171.6	177.2	-163.3	-0.5	111	G655 N659 E660 P713 E742	G655-R657 PolarHBondContact O-N 3.32Å; R657-N659 PolarHBondContact O-N 3.38Å; R657-E660 HydrophobicContact CB-CB 4.16Å; R657-E660 HydrophobicContact CB-CG 3.9Å; R657-E660 WeakPolarHBondContact CD-OE1 3.38Å; R657-E660 PolarHBondContact O-N 3.13Å; R657-E660 VanDerWaalsContact O-N 3.11Å; R657-P713 WeakPolarHBondContact O-CG 3.44Å; R657-E742 CarbonylContact C-O 3.13Å; R657-E742 WeakPolarHBondContact CA-O 3.48Å; R657-E742 HydrophobicContact CG-CB 3.81Å; R657-E742 IonicContact CZ-OE2 3.66Å; R657-E742 IonicContact NE-OE2 3.37Å; R657-E742 PolarHBondContact NE-OE2 3.48Å; R657-E742 IonicContact NH2-OE2 2.74Å
658	V	90.6	Very high	91	Very high	26 Å²	26	52.8 Å²	52.8	16%	0.158	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	133	173.7	175.6	0	0	0	0	109.3	E660 P716 V741 E742	V658-E660 PolarHBondContact O-N 3Å; V658-P716 HydrophobicContact CG2-CB 3.97Å; V658-P716 HydrophobicContact CG2-CG 4.4Å; V658-V741 HydrophobicContact CG2-CG1 3.79Å; V658-E742 WeakPolarHBondContact CG2-O 3.33Å; V658-E742 PolarHBondContact N-O 3.46Å
659	N	90.6	Very high	91.1	Very high	107 Å²	107	56.1 Å²	56.1	57%	0.572	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.6	8.2	-178.1	-56	-42.6	0	0	0	116.5	R657 P713 Q714	R657-N659 PolarHBondContact O-N 3.38Å; N659-P713 PolarHBondContact N-O 3.44Å; N659-Q714 PolarHBondContact OD1-NE2 3.02Å; N659-Q714 PolarHBondContact OD1-OE1 2.86Å
660	E	91.6	Very high	91	Very high	96 Å²	96	52.9 Å²	52.9	45%	0.449	30%	0.303	S	S	.	.	S	Bend	trans	-98.1	140.1	170.2	-67.3	-173.7	-172.5	0	0	110.8	R657 V658 P713	R657-E660 HydrophobicContact CB-CB 4.16Å; R657-E660 HydrophobicContact CB-CG 3.9Å; R657-E660 WeakPolarHBondContact CD-OE1 3.38Å; R657-E660 PolarHBondContact O-N 3.13Å; R657-E660 VanDerWaalsContact O-N 3.11Å; V658-E660 PolarHBondContact O-N 3Å; E660-P713 WeakPolarHBondContact O-CD 3.19Å
661	E	92.3	Very high	90.8	Very high	132 Å²	132	55.8 Å²	55.8	62%	0.617	32%	0.323	S	S	*	.			trans	-71.3	134.7	-179.2	-171	173.3	-109	0	0	111.3	M710	E661-M710 HydrophobicContact CG-CB 4.2Å
662	M	93.4	Very high	90.5	Very high	9 Å²	9	51.4 Å²	51.4	4%	0.044	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	159.2	177.5	-60.6	-174.3	76.4	0	0	110.2	V652 S653 G656 M710 F711 P713	V652-M662 HydrophobicContact CG1-CE 3.63Å; S653-M662 VanDerWaalsContact O-CE 3.23Å; S653-M662 WeakPolarHBondContact O-CE 3.3Å; G656-M662 VanDerWaalsContact CA-CE 3.41Å; G656-M662 WeakPolarHBondContact CA-SD 3.25Å; M662-M710 CarbonylContact O-C 3.57Å; M662-M710 VanDerWaalsContact O-CA 3.3Å; M662-M710 WeakPolarHBondContact O-CA 3.16Å; M662-F711 HydrophobicContact CB-CD1 4.26Å; M662-F711 HydrophobicContact CB-CE1 3.76Å; M662-F711 HydrophobicContact CB-CE2 4.07Å; M662-F711 HydrophobicContact CB-CZ 3.66Å; M662-F711 HydrophobicContact CE-CZ 4.5Å; M662-F711 HydrophobicContact CG-CZ 4.42Å; M662-F711 PolarHBondContact N-O 2.92Å; M662-F711 PolarHBondContact O-N 2.76Å; M662-F711 HydrophobicContact SD-CE2 4.04Å; M662-F711 HydrophobicContact SD-CZ 4Å; M662-P713 HydrophobicContact SD-CG 3.88Å
663	M	95.2	Very high	90.3	Very high	93 Å²	93	55.7 Å²	55.7	46%	0.458	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.9	174.6	-68.5	-176.9	-71	0	0	110.8	V652 S653 T708 E709 M710	V652-M663 CarbonylContact C-O 3.57Å; V652-M663 VanDerWaalsContact CA-O 3.31Å; V652-M663 WeakPolarHBondContact CA-O 3.45Å; S653-M663 PolarHBondContact N-O 3.19Å; S653-M663 PolarHBondContact OG-N 2.83Å; S653-M663 PolarHBondContact OG-O 3.41Å; M663-T708 HydrophobicContact CB-CG2 4.05Å; M663-T708 HydrophobicContact CG-CG2 4.32Å; M663-T708 HydrophobicContact SD-CG2 4.24Å; M663-E709 WeakPolarHBondContact CA-O 3.41Å; M663-M710 HydrophobicContact CG-CG 4.02Å
664	A	96.6	Very high	90.5	Very high	0 Å²	0	57 Å²	57	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128.3	166.4	0	0	0	0	0	109.4	E651 V652 M683 M689 T708 E709 F711 V721	E651-A664 CarbonylContact O-C 3.48Å; E651-A664 WeakPolarHBondContact O-CA 3.42Å; V652-A664 HydrophobicContact CG2-CB 4.23Å; A664-M683 HydrophobicContact CB-CE 3.93Å; A664-M683 HydrophobicContact CB-SD 3.64Å; A664-M689 HydrophobicContact CB-CE 4.5Å; A664-T708 CarbonylContact O-C 3.54Å; A664-T708 VanDerWaalsContact O-CA 3.28Å; A664-T708 WeakPolarHBondContact O-CA 3.32Å; A664-E709 PolarHBondContact N-O 2.83Å; A664-E709 PolarHBondContact O-N 3.02Å; A664-F711 HydrophobicContact CB-CD1 4.27Å; A664-F711 HydrophobicContact CB-CE1 3.87Å; A664-V721 HydrophobicContact CB-CG1 4.09Å
665	T	97.2	Very high	91.6	Very high	26 Å²	26	56.9 Å²	56.9	16%	0.16	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	126	178.8	-60.6	0	0	0	0	110.3	V650 E651 Q667 T706 W707 T708	V650-T665 WeakPolarHBondContact CA-O 3.37Å; E651-T665 PolarHBondContact N-O 3.4Å; E651-T665 PolarHBondContact O-N 3.23Å; T665-Q667 HydrophobicContact CG2-CG 4.2Å; T665-T706 HydrophobicContact CG2-CG2 3.68Å; T665-W707 CarbonylContact C-O 3.59Å; T665-W707 WeakPolarHBondContact CA-O 3.45Å; T665-T708 WeakPolarHBondContact CG2-OG1 3.23Å; T665-T708 WeakPolarHBondContact OG1-CG2 3.43Å; T665-T708 PolarHBondContact OG1-OG1 3.31Å
666	V	97.4	Very high	93	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	132	174.7	165.5	0	0	0	0	109.1	L648 T649 V650 L681 M683 T706 W707 A723	L648-V666 HydrophobicContact CD1-CG1 3.77Å; L648-V666 HydrophobicContact CD2-CB 4.25Å; L648-V666 HydrophobicContact CD2-CG1 3.48Å; L648-V666 VanDerWaalsContact CD2-CG1 3.48Å; L648-V666 HydrophobicContact CD2-CG2 4.06Å; L648-V666 HydrophobicContact CG-CG1 3.74Å; T649-V666 CarbonylContact O-C 3.33Å; T649-V666 WeakPolarHBondContact O-CA 3.5Å; V650-V666 HydrophobicContact CG2-CG2 4.35Å; V666-L681 HydrophobicContact CG1-CD1 4.37Å; V666-L681 HydrophobicContact CG1-CD2 4.04Å; V666-M683 HydrophobicContact CG2-CG 4.41Å; V666-M683 HydrophobicContact CG2-SD 3.55Å; V666-M683 VanDerWaalsContact CG2-SD 3.55Å; V666-T706 CarbonylContact O-C 3.54Å; V666-T706 WeakPolarHBondContact O-CA 3.1Å; V666-W707 PolarHBondContact N-O 3.44Å; V666-W707 PolarHBondContact O-N 3.38Å; V666-A723 HydrophobicContact CG2-CB 3.69Å
667	Q	97.6	Very high	93.8	Very high	74 Å²	74	59 Å²	59	35%	0.346	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	140.2	174	-60.7	176.7	11.5	0	0	110.9	T649 T665 L705 T706	T649-Q667 PolarHBondContact N-O 2.73Å; T649-Q667 PolarHBondContact O-N 2.82Å; T665-Q667 HydrophobicContact CG2-CG 4.2Å; Q667-L705 WeakPolarHBondContact CA-O 3.48Å; Q667-T706 HydrophobicContact CG-CG2 3.96Å
668	F	97.7	Very high	94.1	Very high	6 Å²	6	57 Å²	57	3%	0.026	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	135.6	176.2	175.9	-98.8	0	0	0	110.4	P646 N670 L676 L699 S704 L705 L725 L730 V733	P646-F668 HydrophobicContact CB-CE2 4.09Å; F668-N670 HydrophobicContact CE1-CB 4.32Å; F668-L676 HydrophobicContact CE1-CD1 4.01Å; F668-L676 HydrophobicContact CZ-CD1 4.42Å; F668-L699 HydrophobicContact CD1-CD2 3.66Å; F668-L699 HydrophobicContact CE1-CD2 3.74Å; F668-S704 CarbonylContact O-C 3.59Å; F668-S704 VanDerWaalsContact O-CA 3.25Å; F668-S704 WeakPolarHBondContact O-CA 3.48Å; F668-L705 HydrophobicContact CB-CD1 4.02Å; F668-L705 HydrophobicContact CB-CG 4.16Å; F668-L705 PolarHBondContact N-O 2.83Å; F668-L705 VanDerWaalsContact N-O 3.11Å; F668-L705 PolarHBondContact O-N 2.82Å; F668-L725 HydrophobicContact CB-CD1 4.07Å; F668-L725 HydrophobicContact CD1-CD1 3.4Å; F668-L725 VanDerWaalsContact CD1-CD1 3.4Å; F668-L725 HydrophobicContact CD2-CD1 4.18Å; F668-L725 HydrophobicContact CE1-CD1 3.83Å; F668-L725 HydrophobicContact CG-CD1 3.61Å; F668-L725 HydrophobicContact CZ-CD1 4.38Å; F668-L730 HydrophobicContact CE1-CD2 4.34Å; F668-L730 HydrophobicContact CE2-CD2 4.18Å; F668-L730 HydrophobicContact CZ-CD2 3.49Å; F668-L730 VanDerWaalsContact CZ-CD2 3.49Å; F668-V733 HydrophobicContact CD2-CG1 3.91Å; F668-V733 HydrophobicContact CE2-CG1 3.82Å; F668-V733 HydrophobicContact CE2-CG2 4.28Å
669	T	96.4	Very high	94.3	Very high	76 Å²	76	55.7 Å²	55.7	47%	0.466	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	126	173.3	-55.7	0	0	0	0	108.6	P671 S703 S704	T669-P671 WeakPolarHBondContact O-CD 3.04Å; T669-S703 WeakPolarHBondContact CA-O 3.24Å; T669-S704 WeakPolarHBondContact CB-OG 3.47Å; T669-S704 WeakPolarHBondContact CG2-OG 3.35Å; T669-S704 PolarHBondContact OG1-OG 3.45Å
670	N	95.5	Very high	94.5	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.29	C	S	.	.			trans	-68.1	109.8	173.6	179.5	3.2	0	0	0	109.2	F668 F672 F674 L676 L699 P700 G701 G702 S703	F668-N670 HydrophobicContact CE1-CB 4.32Å; N670-F672 PolarHBondContact O-N 2.89Å; N670-F672 WeakPolarHBondContact OD1-CB 2.99Å; N670-F672 VanDerWaalsContact OD1-CD2 3.29Å; N670-F672 WeakPolarHBondContact OD1-CD2 3.38Å; N670-F672 PolarHBondContact OD1-N 2.89Å; N670-F674 PolarHBondContact ND2-O 2.81Å; N670-L676 HydrophobicContact CB-CD1 4.37Å; N670-L699 HydrophobicContact CB-CD2 3.85Å; N670-L699 HydrophobicContact CB-CG 4.08Å; N670-L699 PolarHBondContact ND2-O 2.74Å; N670-P700 PolarHBondContact ND2-O 2.91Å; N670-G701 WeakPolarHBondContact ND2-CA 3.45Å; N670-G702 WeakPolarHBondContact O-CA 3.25Å; N670-G702 PolarHBondContact O-N 2.79Å; N670-S703 PolarHBondContact N-O 2.56Å
671	P	92.1	Very high	94.7	Very high	76 Å²	76	51.7 Å²	51.7	49%	0.494	27%	0.269	S	S	.	.			trans	-79.5	-9.3	-176.1	35	-35.2	0	0	0	112.5	P646 T669	P646-P671 HydrophobicContact CB-CG 4.25Å; P646-P671 HydrophobicContact CG-CG 3.58Å; T669-P671 WeakPolarHBondContact O-CD 3.04Å
672	F	90.8	Very high	94.9	Very high	18 Å²	18	46.8 Å²	46.8	8%	0.079	25%	0.245	C	C	.	.	S	Bend	trans	-88.4	160	-175.4	-51.5	-63.8	0	0	0	112.2	V545 N670 F674 L676 G701 G702 L730	V545-F672 HydrophobicContact CB-CZ 4.35Å; V545-F672 HydrophobicContact CG1-CE1 3.99Å; V545-F672 HydrophobicContact CG1-CZ 3.75Å; V545-F672 WeakPolarHBondContact O-CE1 3.38Å; N670-F672 PolarHBondContact O-N 2.89Å; N670-F672 WeakPolarHBondContact OD1-CB 2.99Å; N670-F672 VanDerWaalsContact OD1-CD2 3.29Å; N670-F672 WeakPolarHBondContact OD1-CD2 3.38Å; N670-F672 PolarHBondContact OD1-N 2.89Å; F672-F674 VanDerWaalsContact C-N 3.34Å; F672-F674 HydrophobicContact CB-CD1 3.65Å; F672-F674 HydrophobicContact CB-CD2 4.49Å; F672-F674 HydrophobicContact CB-CE1 3.41Å; F672-F674 VanDerWaalsContact CB-CE1 3.41Å; F672-F674 HydrophobicContact CB-CE2 4.3Å; F672-F674 HydrophobicContact CB-CG 4.19Å; F672-F674 HydrophobicContact CB-CZ 3.76Å; F672-F674 AromaticContact CD1-CE1 3.89Å; F672-F674 HydrophobicContact CD1-CE1 3.89Å; F672-F674 HydrophobicContact CD1-CZ 4.13Å; F672-F674 HydrophobicContact CD2-CE1 4.12Å; F672-F674 HydrophobicContact CD2-CE2 4.17Å; F672-F674 AromaticContact CD2-CZ 3.64Å; F672-F674 HydrophobicContact CD2-CZ 3.64Å; F672-F674 HydrophobicContact CE2-CZ 4.27Å; F672-F674 HydrophobicContact CG-CD1 4.3Å; F672-F674 AromaticContact CG-CE1 3.54Å; F672-F674 HydrophobicContact CG-CE1 3.54Å; F672-F674 HydrophobicContact CG-CE2 4.35Å; F672-F674 AromaticContact CG-CZ 3.56Å; F672-F674 HydrophobicContact CG-CZ 3.56Å; F672-L676 HydrophobicContact CD2-CD2 4.43Å; F672-G701 CarbonylContact O-C 3.57Å; F672-G701 WeakPolarHBondContact O-CA 3.48Å; F672-G702 PolarHBondContact O-N 3.23Å; F672-L730 HydrophobicContact CE2-CB 4.43Å; F672-L730 HydrophobicContact CE2-CD1 3.87Å; F672-L730 HydrophobicContact CE2-CD2 3.9Å; F672-L730 HydrophobicContact CE2-CG 4.27Å; F672-L730 HydrophobicContact CZ-CD1 4.1Å
673	S	89.9	Confident	95	Very high	122 Å²	122	46.4 Å²	46.4	85%	0.853	24%	0.243	S	C	*	.	S	Bend	trans	-77.5	-19.7	172.2	57.4	0	0	0	0	113.2
674	F	91.2	Very high	95	Very high	69 Å²	69	42.2 Å²	42.2	30%	0.303	22%	0.223	S	C	.	.	S	Bend	trans	-93.5	161.2	177.4	63.6	-93	0	0	0	112.1	L611 N670 F672 L676 G701	L611-F674 HydrophobicContact CD2-CE1 3.89Å; N670-F674 PolarHBondContact ND2-O 2.81Å; F672-F674 VanDerWaalsContact C-N 3.34Å; F672-F674 HydrophobicContact CB-CD1 3.65Å; F672-F674 HydrophobicContact CB-CD2 4.49Å; F672-F674 HydrophobicContact CB-CE1 3.41Å; F672-F674 VanDerWaalsContact CB-CE1 3.41Å; F672-F674 HydrophobicContact CB-CE2 4.3Å; F672-F674 HydrophobicContact CB-CG 4.19Å; F672-F674 HydrophobicContact CB-CZ 3.76Å; F672-F674 AromaticContact CD1-CE1 3.89Å; F672-F674 HydrophobicContact CD1-CE1 3.89Å; F672-F674 HydrophobicContact CD1-CZ 4.13Å; F672-F674 HydrophobicContact CD2-CE1 4.12Å; F672-F674 HydrophobicContact CD2-CE2 4.17Å; F672-F674 AromaticContact CD2-CZ 3.64Å; F672-F674 HydrophobicContact CD2-CZ 3.64Å; F672-F674 HydrophobicContact CE2-CZ 4.27Å; F672-F674 HydrophobicContact CG-CD1 4.3Å; F672-F674 AromaticContact CG-CE1 3.54Å; F672-F674 HydrophobicContact CG-CE1 3.54Å; F672-F674 HydrophobicContact CG-CE2 4.35Å; F672-F674 AromaticContact CG-CZ 3.56Å; F672-F674 HydrophobicContact CG-CZ 3.56Å; F674-L676 HydrophobicContact CD2-CD2 4.4Å; F674-L676 HydrophobicContact CE2-CD2 3.74Å; F674-G701 WeakPolarHBondContact O-CA 3.41Å
675	N	95.3	Very high	94.9	Very high	81 Å²	81	42.2 Å²	42.2	43%	0.433	22%	0.223	S	C	.	.	P	Polyproline II helix	trans	-81.2	143.5	-180	-57.6	-23.2	0	0	0	111.2	L698 P700 G701	N675-L698 HydrophobicContact CB-CD1 3.67Å; N675-L698 HydrophobicContact CB-CG 4.48Å; N675-P700 VanDerWaalsContact OD1-CA 3.31Å; N675-P700 WeakPolarHBondContact OD1-CA 3.28Å; N675-G701 PolarHBondContact OD1-N 2.8Å
676	L	94.8	Very high	94.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	127.8	166.7	-59.6	176.8	0	0	0	109.1	F668 N670 F672 F674 V679 L698 L699 L730	F668-L676 HydrophobicContact CE1-CD1 4.01Å; F668-L676 HydrophobicContact CZ-CD1 4.42Å; N670-L676 HydrophobicContact CB-CD1 4.37Å; F672-L676 HydrophobicContact CD2-CD2 4.43Å; F674-L676 HydrophobicContact CD2-CD2 4.4Å; F674-L676 HydrophobicContact CE2-CD2 3.74Å; L676-V679 HydrophobicContact CB-CG2 3.72Å; L676-L698 CarbonylContact O-C 3.42Å; L676-L698 WeakPolarHBondContact O-CA 2.91Å; L676-L699 HydrophobicContact CB-CB 4.31Å; L676-L699 HydrophobicContact CD1-CD2 4.38Å; L676-L699 PolarHBondContact N-O 3.26Å; L676-L699 PolarHBondContact O-N 2.67Å; L676-L730 HydrophobicContact CD1-CB 4.13Å; L676-L730 HydrophobicContact CD1-CD2 3.86Å; L676-L730 HydrophobicContact CD2-CB 3.82Å
677	E	94.8	Very high	94.1	Very high	111 Å²	111	42.1 Å²	42.1	52%	0.519	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	150.9	-179.7	-68.2	-178.7	-171.8	0	0	111.1	V679 S697 L698 C727	E677-V679 PolarHBondContact O-N 2.86Å; E677-S697 WeakPolarHBondContact CA-O 3.25Å; E677-L698 HydrophobicContact CG-CD1 3.64Å; E677-C727 VanDerWaalsContact O-CB 3.28Å; E677-C727 WeakPolarHBondContact O-CB 3.49Å
678	N	94.3	Very high	93.7	Very high	74 Å²	74	39.2 Å²	39.2	40%	0.396	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	51.8	51.9	175.7	-49.7	-55.6	0	0	0	112.9	Y680 Y695 Y696 S697	N678-Y680 WeakPolarHBondContact O-CD2 3.43Å; N678-Y680 WeakPolarHBondContact O-CE2 3.31Å; N678-Y695 HydrophobicContact CB-CE2 4.05Å; N678-Y695 PolarHBondContact OD1-OH 2.85Å; N678-Y696 CarbonylContact C-O 3.58Å; N678-S697 PolarHBondContact N-O 3.36Å
679	V	94.9	Very high	93.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	121	-175.8	-177.9	0	0	0	0	110.5	L676 E677 Y696 L699 L725 C727	L676-V679 HydrophobicContact CB-CG2 3.72Å; E677-V679 PolarHBondContact O-N 2.86Å; V679-Y696 PolarHBondContact N-O 3.26Å; V679-Y696 PolarHBondContact O-N 2.81Å; V679-L699 HydrophobicContact CG2-CB 4.28Å; V679-L725 HydrophobicContact CG1-CD1 3.73Å; V679-L725 HydrophobicContact CG1-CD2 3.94Å; V679-L725 HydrophobicContact CG1-CG 3.61Å; V679-C727 HydrophobicContact CG2-CB 4.2Å
680	Y	94.7	Very high	93.2	Very high	117 Å²	117	42.4 Å²	42.4	46%	0.459	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	127.9	174.2	-69.1	-90.4	0	0	0	110.4	N678 Y695 L725 D726	N678-Y680 WeakPolarHBondContact O-CD2 3.43Å; N678-Y680 WeakPolarHBondContact O-CE2 3.31Å; Y680-Y695 AromaticContact CD1-CD2 3.95Å; Y680-Y695 HydrophobicContact CD1-CD2 3.95Å; Y680-Y695 HydrophobicContact CD2-CD2 4.27Å; Y680-Y695 AromaticContact CE1-CD2 3.52Å; Y680-Y695 HydrophobicContact CE1-CD2 3.52Å; Y680-Y695 HydrophobicContact CE1-CE2 4.26Å; Y680-Y695 HydrophobicContact CE1-CG 4.23Å; Y680-Y695 AromaticContact CE2-CD2 3.87Å; Y680-Y695 HydrophobicContact CE2-CD2 3.87Å; Y680-Y695 AromaticContact CE2-CE2 3.93Å; Y680-Y695 HydrophobicContact CE2-CE2 3.93Å; Y680-Y695 HydrophobicContact CG-CD2 4.31Å; Y680-Y695 AromaticContact CZ-CD2 3.48Å; Y680-Y695 VanDerWaalsContact CZ-CD2 3.48Å; Y680-Y695 AromaticContact CZ-CE2 3.74Å; Y680-L725 WeakPolarHBondContact O-CA 3.29Å; Y680-D726 PolarHBondContact N-O 2.82Å; Y680-D726 PolarHBondContact O-N 2.82Å
681	L	95.9	Very high	93.2	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	138.8	167.4	-75.1	169.6	0	0	0	109.7	L648 V666 S693 R694 Y696 L705 W707 T724 L725	L648-L681 HydrophobicContact CD1-CD2 3.69Å; V666-L681 HydrophobicContact CG1-CD1 4.37Å; V666-L681 HydrophobicContact CG1-CD2 4.04Å; L681-S693 CarbonylContact O-C 3.53Å; L681-S693 WeakPolarHBondContact O-CA 3.46Å; L681-R694 HydrophobicContact CB-CB 4.41Å; L681-R694 PolarHBondContact N-O 3.4Å; L681-R694 PolarHBondContact O-N 3.16Å; L681-Y696 HydrophobicContact CD1-CD2 4.26Å; L681-Y696 HydrophobicContact CD1-CE2 3.62Å; L681-L705 HydrophobicContact CD1-CD1 3.52Å; L681-L705 HydrophobicContact CD1-CD2 4.14Å; L681-W707 HydrophobicContact CB-CE3 3.73Å; L681-W707 HydrophobicContact CB-CZ3 3.71Å; L681-W707 HydrophobicContact CD1-CB 4.39Å; L681-W707 HydrophobicContact CD1-CE3 3.92Å; L681-W707 HydrophobicContact CG-CE3 4.42Å; L681-T724 WeakPolarHBondContact CA-O 3.43Å; L681-L725 HydrophobicContact CD2-CB 3.69Å; L681-L725 HydrophobicContact CD2-CD1 3.98Å; L681-L725 HydrophobicContact CD2-CG 4.07Å
682	R	96.5	Very high	93.3	Very high	30 Å²	30	44.7 Å²	44.7	11%	0.113	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	142.5	171.4	-68.4	-179.7	165.6	-149	-10.7	109.2	V307 S311 T313 L691 K692 A723 T724	V307-R682 VanDerWaalsContact CG2-NH2 3.31Å; S311-R682 WeakPolarHBondContact O-CD 3.39Å; S311-R682 WeakPolarHBondContact OG-CD 3.47Å; T313-R682 HydrophobicContact CG2-CB 4.27Å; R682-L691 HydrophobicContact CB-CD1 4.07Å; R682-L691 HydrophobicContact CG-CD1 4.43Å; R682-K692 WeakPolarHBondContact CA-O 3.42Å; R682-A723 CarbonylContact O-C 3.28Å; R682-A723 WeakPolarHBondContact O-CA 3.49Å; R682-A723 WeakPolarHBondContact O-CB 3.41Å; R682-T724 PolarHBondContact N-O 2.83Å; R682-T724 PolarHBondContact O-N 3.44Å
683	M	96.1	Very high	93.6	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	131.2	-179.8	-173.5	176.2	54.3	0	0	109.9	A664 V666 M689 K692 W707 E709 V721 M722 A723	A664-M683 HydrophobicContact CB-CE 3.93Å; A664-M683 HydrophobicContact CB-SD 3.64Å; V666-M683 HydrophobicContact CG2-CG 4.41Å; V666-M683 HydrophobicContact CG2-SD 3.55Å; V666-M683 VanDerWaalsContact CG2-SD 3.55Å; M683-M689 HydrophobicContact CB-CE 4.49Å; M683-M689 HydrophobicContact CE-CE 4.15Å; M683-M689 HydrophobicContact CE-SD 4.21Å; M683-M689 HydrophobicContact CG-CE 3.51Å; M683-M689 HydrophobicContact SD-CE 4.02Å; M683-K692 PolarHBondContact N-O 3.2Å; M683-K692 PolarHBondContact O-N 3.14Å; M683-W707 HydrophobicContact CB-CH2 4.02Å; M683-W707 HydrophobicContact CB-CZ3 3.83Å; M683-W707 HydrophobicContact CE-CH2 4.43Å; M683-E709 HydrophobicContact CE-CB 3.51Å; M683-E709 HydrophobicContact CE-CG 3.62Å; M683-V721 HydrophobicContact CG-CG1 3.71Å; M683-V721 HydrophobicContact SD-CG1 3.86Å; M683-M722 WeakPolarHBondContact CA-O 3.4Å; M683-A723 HydrophobicContact CB-CB 4.13Å; M683-A723 HydrophobicContact CG-CB 4.08Å
684	E	95.6	Very high	93.8	Very high	5 Å²	5	47.3 Å²	47.3	2%	0.023	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	169.2	176.1	70.3	177.8	116.6	0	0	111.3	N246 T313 G314 L691 M722	N246-E684 HydrophobicContact CB-CG 4.31Å; N246-E684 WeakPolarHBondContact CB-OE2 3.19Å; N246-E684 PolarHBondContact ND2-OE2 2.87Å; T313-E684 WeakPolarHBondContact CB-OE1 3.28Å; T313-E684 PolarHBondContact OG1-OE1 2.95Å; G314-E684 WeakPolarHBondContact CA-OE1 3.42Å; G314-E684 PolarHBondContact N-OE1 2.88Å; G314-E684 VanDerWaalsContact N-OE1 3.09Å; E684-L691 HydrophobicContact CB-CD1 4.34Å; E684-M722 HydrophobicContact CG-CG 4.31Å; E684-M722 PolarHBondContact N-O 3.19Å; E684-M722 WeakPolarHBondContact O-CG 3.22Å; E684-M722 PolarHBondContact O-N 2.82Å
685	G	93.8	Very high	94.1	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	122.6	176.8	0	0	0	0	0	112	G687 V688 M689 R720	G685-G687 PolarHBondContact O-N 3.44Å; G685-V688 WeakPolarHBondContact O-CG2 3.02Å; G685-V688 PolarHBondContact O-N 3.12Å; G685-M689 PolarHBondContact N-O 2.85Å; G685-M689 PolarHBondContact O-N 2.85Å; G685-M689 VanDerWaalsContact O-O 3.08Å; G685-R720 VanDerWaalsContact CA-O 3.23Å; G685-R720 WeakPolarHBondContact CA-O 3.14Å
686	P	91.6	Very high	94.1	Very high	6 Å²	6	47.5 Å²	47.5	4%	0.039	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	116.1	-179.3	-24	31.8	0	0	0	111.5	E228 L229 N246 V688 T719 R720 M722	E228-P686 HydrophobicContact CB-CB 4.06Å; L229-P686 HydrophobicContact CB-CG 4.31Å; L229-P686 HydrophobicContact CD1-CG 4.17Å; N246-P686 HydrophobicContact CB-CG 3.82Å; N246-P686 WeakPolarHBondContact OD1-CA 3.33Å; N246-P686 WeakPolarHBondContact OD1-CB 3.47Å; P686-V688 PolarHBondContact O-N 2.79Å; P686-T719 PolarHBondContact O-OG1 3.02Å; P686-R720 WeakPolarHBondContact CD-O 3.47Å; P686-M722 HydrophobicContact CG-CE 3.88Å
687	G	86.6	Confident	94.1	Very high	17 Å²	17	51.3 Å²	51.3	18%	0.175	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	4.6	177.7	0	0	0	0	0	118.8	G685	G685-G687 PolarHBondContact O-N 3.44Å
688	V	89.9	Confident	94.2	Very high	14 Å²	14	49.7 Å²	49.7	9%	0.085	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.5	-33.3	-176.4	-68.2	0	0	0	0	113.2	G685 P686 F711 P713 T719 I739 V741	G685-V688 WeakPolarHBondContact O-CG2 3.02Å; G685-V688 PolarHBondContact O-N 3.12Å; P686-V688 PolarHBondContact O-N 2.79Å; V688-F711 HydrophobicContact CB-CD2 4.47Å; V688-F711 HydrophobicContact CB-CE2 4.21Å; V688-F711 HydrophobicContact CG2-CE2 4.45Å; V688-F711 WeakPolarHBondContact O-CD2 2.98Å; V688-P713 HydrophobicContact CB-CB 3.97Å; V688-P713 HydrophobicContact CG1-CB 3.69Å; V688-T719 HydrophobicContact CB-CG2 4.29Å; V688-T719 HydrophobicContact CG1-CG2 3.57Å; V688-T719 HydrophobicContact CG2-CG2 3.73Å; V688-I739 HydrophobicContact CB-CD1 4.42Å; V688-I739 HydrophobicContact CG1-CD1 4.37Å; V688-I739 HydrophobicContact CG2-CD1 4.05Å; V688-V741 HydrophobicContact CG1-CG2 3.98Å
689	M	91.6	Very high	94.3	Very high	8 Å²	8	46.6 Å²	46.6	4%	0.039	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	122.4	-176.4	-179.5	170.7	61.8	0	0	110.8	A664 M683 G685 F711 V721	A664-M689 HydrophobicContact CB-CE 4.5Å; M683-M689 HydrophobicContact CB-CE 4.49Å; M683-M689 HydrophobicContact CE-CE 4.15Å; M683-M689 HydrophobicContact CE-SD 4.21Å; M683-M689 HydrophobicContact CG-CE 3.51Å; M683-M689 HydrophobicContact SD-CE 4.02Å; G685-M689 PolarHBondContact N-O 2.85Å; G685-M689 PolarHBondContact O-N 2.85Å; G685-M689 VanDerWaalsContact O-O 3.08Å; M689-F711 HydrophobicContact CB-CB 4.03Å; M689-F711 HydrophobicContact CB-CD2 3.98Å; M689-F711 HydrophobicContact CB-CG 3.98Å; M689-F711 HydrophobicContact CG-CB 3.84Å; M689-F711 HydrophobicContact CG-CG 4.13Å; M689-F711 HydrophobicContact SD-CB 3.9Å; M689-F711 HydrophobicContact SD-CD1 3.77Å; M689-F711 HydrophobicContact SD-CG 3.88Å; M689-V721 HydrophobicContact CE-CB 4.31Å; M689-V721 HydrophobicContact CE-CG1 3.41Å; M689-V721 VanDerWaalsContact CE-CG1 3.41Å; M689-V721 HydrophobicContact CE-CG2 4.02Å
690	E	91.3	Very high	94.4	Very high	141 Å²	141	49.3 Å²	49.3	66%	0.659	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	160.8	170.1	-62.4	-174.9	162.1	0	0	111.6	K692	E690-K692 PolarHBondContact O-N 3.21Å
691	L	94.6	Very high	94.5	Very high	50 Å²	50	45.1 Å²	45.1	26%	0.262	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	122.7	-179.9	-179.9	65.5	0	0	0	111.8	D317 R682 E684	D317-L691 HydrophobicContact CB-CD2 3.66Å; R682-L691 HydrophobicContact CB-CD1 4.07Å; R682-L691 HydrophobicContact CG-CD1 4.43Å; E684-L691 HydrophobicContact CB-CD1 4.34Å
692	K	96	Very high	94.4	Very high	74 Å²	74	47.8 Å²	47.8	32%	0.322	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	147.2	166	-56.5	-60.5	-177.4	180	0	108.9	R682 M683 E690 W707 E709	R682-K692 WeakPolarHBondContact CA-O 3.42Å; M683-K692 PolarHBondContact N-O 3.2Å; M683-K692 PolarHBondContact O-N 3.14Å; E690-K692 PolarHBondContact O-N 3.21Å; K692-W707 HydrophobicContact CB-CH2 3.73Å; K692-W707 HydrophobicContact CB-CZ2 3.79Å; K692-E709 HydrophobicContact CB-CG 4.14Å; K692-E709 HydrophobicContact CG-CG 4.14Å
693	S	95.4	Very high	94.4	Very high	86 Å²	86	48 Å²	48	60%	0.601	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.6	145.8	176.9	62.9	0	0	0	0	111.8	L681	L681-S693 CarbonylContact O-C 3.53Å; L681-S693 WeakPolarHBondContact O-CA 3.46Å
694	R	95.8	Very high	94.4	Very high	108 Å²	108	51.6 Å²	51.6	41%	0.408	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	143.2	175.2	-165	165.8	-173	-178.2	6.7	111.2	L681 Y696 W707	L681-R694 HydrophobicContact CB-CB 4.41Å; L681-R694 PolarHBondContact N-O 3.4Å; L681-R694 PolarHBondContact O-N 3.16Å; R694-Y696 HydrophobicContact CB-CE2 4.16Å; R694-Y696 VanDerWaalsContact CD-OH 3.32Å; R694-Y696 WeakPolarHBondContact CD-OH 3.27Å; R694-Y696 HydrophobicContact CG-CD2 4.35Å; R694-Y696 HydrophobicContact CG-CE2 3.63Å; R694-Y696 PolarHBondContact NE-OH 2.83Å; R694-Y696 PolarHBondContact NH1-OH 2.66Å; R694-W707 HydrophobicContact CB-CD2 3.84Å; R694-W707 HydrophobicContact CB-CE3 4.07Å; R694-W707 HydrophobicContact CB-CG 4.44Å; R694-W707 HydrophobicContact CB-CH2 4.18Å; R694-W707 HydrophobicContact CB-CZ2 3.94Å; R694-W707 HydrophobicContact CB-CZ3 4.24Å; R694-W707 VanDerWaalsContact CD-CD1 3.46Å
695	Y	95.8	Very high	94.4	Very high	108 Å²	108	51.8 Å²	51.8	42%	0.424	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	136.1	-179	171.3	-104.5	0	0	0	110.9	N678 Y680	N678-Y695 HydrophobicContact CB-CE2 4.05Å; N678-Y695 PolarHBondContact OD1-OH 2.85Å; Y680-Y695 AromaticContact CD1-CD2 3.95Å; Y680-Y695 HydrophobicContact CD1-CD2 3.95Å; Y680-Y695 HydrophobicContact CD2-CD2 4.27Å; Y680-Y695 AromaticContact CE1-CD2 3.52Å; Y680-Y695 HydrophobicContact CE1-CD2 3.52Å; Y680-Y695 HydrophobicContact CE1-CE2 4.26Å; Y680-Y695 HydrophobicContact CE1-CG 4.23Å; Y680-Y695 AromaticContact CE2-CD2 3.87Å; Y680-Y695 HydrophobicContact CE2-CD2 3.87Å; Y680-Y695 AromaticContact CE2-CE2 3.93Å; Y680-Y695 HydrophobicContact CE2-CE2 3.93Å; Y680-Y695 HydrophobicContact CG-CD2 4.31Å; Y680-Y695 AromaticContact CZ-CD2 3.48Å; Y680-Y695 VanDerWaalsContact CZ-CD2 3.48Å; Y680-Y695 AromaticContact CZ-CE2 3.74Å
696	Y	95.2	Very high	94.6	Very high	47 Å²	47	55.5 Å²	55.5	18%	0.184	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	121	173.2	-63.5	-99.4	0	0	0	108.6	N678 V679 L681 R694 L698 L705	N678-Y696 CarbonylContact C-O 3.58Å; V679-Y696 PolarHBondContact N-O 3.26Å; V679-Y696 PolarHBondContact O-N 2.81Å; L681-Y696 HydrophobicContact CD1-CD2 4.26Å; L681-Y696 HydrophobicContact CD1-CE2 3.62Å; R694-Y696 HydrophobicContact CB-CE2 4.16Å; R694-Y696 VanDerWaalsContact CD-OH 3.32Å; R694-Y696 WeakPolarHBondContact CD-OH 3.27Å; R694-Y696 HydrophobicContact CG-CD2 4.35Å; R694-Y696 HydrophobicContact CG-CE2 3.63Å; R694-Y696 PolarHBondContact NE-OH 2.83Å; R694-Y696 PolarHBondContact NH1-OH 2.66Å; Y696-L698 VanDerWaalsContact C-N 3.27Å; Y696-L698 PolarHBondContact O-N 3.26Å; Y696-L705 HydrophobicContact CD2-CD2 4.28Å; Y696-L705 HydrophobicContact CE1-CB 4.49Å; Y696-L705 HydrophobicContact CE2-CD2 4.34Å
697	S	96	Very high	94.8	Very high	79 Å²	79	55.4 Å²	55.4	55%	0.552	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.3	-31.1	-178.8	57.1	0	0	0	0	113.1	E677 N678	E677-S697 WeakPolarHBondContact CA-O 3.25Å; N678-S697 PolarHBondContact N-O 3.36Å
698	L	96	Very high	95.3	Very high	77 Å²	77	57.5 Å²	57.5	40%	0.403	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	135.5	-176.7	-171.6	74.9	0	0	0	110.6	N675 L676 E677 Y696 P700	N675-L698 HydrophobicContact CB-CD1 3.67Å; N675-L698 HydrophobicContact CB-CG 4.48Å; L676-L698 CarbonylContact O-C 3.42Å; L676-L698 WeakPolarHBondContact O-CA 2.91Å; E677-L698 HydrophobicContact CG-CD1 3.64Å; Y696-L698 VanDerWaalsContact C-N 3.27Å; Y696-L698 PolarHBondContact O-N 3.26Å; L698-P700 HydrophobicContact CD2-CG 4.49Å
699	L	96.8	Very high	95.6	Very high	9 Å²	9	59.5 Å²	59.5	5%	0.047	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	103.3	167.3	-177.9	68.8	0	0	0	109.1	F668 N670 L676 V679 S703 L705	F668-L699 HydrophobicContact CD1-CD2 3.66Å; F668-L699 HydrophobicContact CE1-CD2 3.74Å; N670-L699 HydrophobicContact CB-CD2 3.85Å; N670-L699 HydrophobicContact CB-CG 4.08Å; N670-L699 PolarHBondContact ND2-O 2.74Å; L676-L699 HydrophobicContact CB-CB 4.31Å; L676-L699 HydrophobicContact CD1-CD2 4.38Å; L676-L699 PolarHBondContact N-O 3.26Å; L676-L699 PolarHBondContact O-N 2.67Å; V679-L699 HydrophobicContact CG2-CB 4.28Å; L699-S703 VanDerWaalsContact CD1-OG 3.27Å; L699-S703 WeakPolarHBondContact CD1-OG 3.36Å; L699-L705 HydrophobicContact CD1-CB 4.17Å; L699-L705 HydrophobicContact CD1-CD2 4.28Å; L699-L705 HydrophobicContact CD1-CG 4.5Å; L699-L705 HydrophobicContact CD2-CD2 3.96Å; L699-L705 HydrophobicContact CD2-CG 4.49Å
700	P	97.4	Very high	95.8	Very high	58 Å²	58	64.1 Å²	64.1	38%	0.377	36%	0.361	S	S	.	.			trans	-58.1	154.6	-178.8	-27	35	0	0	0	114.5	N670 N675 L698 G702 S703	N670-P700 PolarHBondContact ND2-O 2.91Å; N675-P700 VanDerWaalsContact OD1-CA 3.31Å; N675-P700 WeakPolarHBondContact OD1-CA 3.28Å; L698-P700 HydrophobicContact CD2-CG 4.49Å; P700-G702 PolarHBondContact O-N 2.82Å; P700-S703 WeakPolarHBondContact CD-OG 3.47Å; P700-S703 WeakPolarHBondContact O-CB 3.49Å; P700-S703 PolarHBondContact O-N 2.85Å; P700-S703 VanDerWaalsContact O-N 3.16Å; P700-S703 PolarHBondContact O-OG 3.43Å
701	G	95.8	Very high	95.9	Very high	28 Å²	28	58 Å²	58	29%	0.289	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	133.9	172.9	0	0	0	0	0	112.6	N670 F672 F674 N675 S703	N670-G701 WeakPolarHBondContact ND2-CA 3.45Å; F672-G701 CarbonylContact O-C 3.57Å; F672-G701 WeakPolarHBondContact O-CA 3.48Å; F674-G701 WeakPolarHBondContact O-CA 3.41Å; N675-G701 PolarHBondContact OD1-N 2.8Å; G701-S703 PolarHBondContact O-N 2.95Å; G701-S703 VanDerWaalsContact O-N 3.15Å
702	G	95.1	Very high	95.8	Very high	57 Å²	57	58.3 Å²	58.3	59%	0.588	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	-3	-178.3	0	0	0	0	0	116.2	N670 F672 P700	N670-G702 WeakPolarHBondContact O-CA 3.25Å; N670-G702 PolarHBondContact O-N 2.79Å; F672-G702 PolarHBondContact O-N 3.23Å; P700-G702 PolarHBondContact O-N 2.82Å
703	S	96.6	Very high	95.6	Very high	34 Å²	34	54.8 Å²	54.8	24%	0.238	32%	0.321	C	S	.	.			trans	-86.3	160.1	179.6	73.3	0	0	0	0	112.2	T669 N670 L699 P700 G701	T669-S703 WeakPolarHBondContact CA-O 3.24Å; N670-S703 PolarHBondContact N-O 2.56Å; L699-S703 VanDerWaalsContact CD1-OG 3.27Å; L699-S703 WeakPolarHBondContact CD1-OG 3.36Å; P700-S703 WeakPolarHBondContact CD-OG 3.47Å; P700-S703 WeakPolarHBondContact O-CB 3.49Å; P700-S703 PolarHBondContact O-N 2.85Å; P700-S703 VanDerWaalsContact O-N 3.16Å; P700-S703 PolarHBondContact O-OG 3.43Å; G701-S703 PolarHBondContact O-N 2.95Å; G701-S703 VanDerWaalsContact O-N 3.15Å
704	S	96.1	Very high	95.2	Very high	77 Å²	77	56.5 Å²	56.5	54%	0.538	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	148.3	179.2	-55.7	0	0	0	0	111.7	F668 T669	F668-S704 CarbonylContact O-C 3.59Å; F668-S704 VanDerWaalsContact O-CA 3.25Å; F668-S704 WeakPolarHBondContact O-CA 3.48Å; T669-S704 WeakPolarHBondContact CB-OG 3.47Å; T669-S704 WeakPolarHBondContact CG2-OG 3.35Å; T669-S704 PolarHBondContact OG1-OG 3.45Å
705	L	95.4	Very high	94.8	Very high	9 Å²	9	53.4 Å²	53.4	5%	0.047	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	151.1	167.5	64.9	77.7	0	0	0	110.6	Q667 F668 L681 Y696 L699 L725	Q667-L705 WeakPolarHBondContact CA-O 3.48Å; F668-L705 HydrophobicContact CB-CD1 4.02Å; F668-L705 HydrophobicContact CB-CG 4.16Å; F668-L705 PolarHBondContact N-O 2.83Å; F668-L705 VanDerWaalsContact N-O 3.11Å; F668-L705 PolarHBondContact O-N 2.82Å; L681-L705 HydrophobicContact CD1-CD1 3.52Å; L681-L705 HydrophobicContact CD1-CD2 4.14Å; Y696-L705 HydrophobicContact CD2-CD2 4.28Å; Y696-L705 HydrophobicContact CE1-CB 4.49Å; Y696-L705 HydrophobicContact CE2-CD2 4.34Å; L699-L705 HydrophobicContact CD1-CB 4.17Å; L699-L705 HydrophobicContact CD1-CD2 4.28Å; L699-L705 HydrophobicContact CD1-CG 4.5Å; L699-L705 HydrophobicContact CD2-CD2 3.96Å; L699-L705 HydrophobicContact CD2-CG 4.49Å; L705-L725 HydrophobicContact CD2-CD1 4.36Å
706	T	96.9	Very high	94.6	Very high	78 Å²	78	51.9 Å²	51.9	48%	0.479	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	134.7	172	-56.5	0	0	0	0	108.9	T665 V666 Q667	T665-T706 HydrophobicContact CG2-CG2 3.68Å; V666-T706 CarbonylContact O-C 3.54Å; V666-T706 WeakPolarHBondContact O-CA 3.1Å; Q667-T706 HydrophobicContact CG-CG2 3.96Å
707	W	97.5	Very high	94.3	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.015	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	123.3	177	175.4	29.1	0	0	0	110.4	T665 V666 L681 M683 K692 R694 E709	T665-W707 CarbonylContact C-O 3.59Å; T665-W707 WeakPolarHBondContact CA-O 3.45Å; V666-W707 PolarHBondContact N-O 3.44Å; V666-W707 PolarHBondContact O-N 3.38Å; L681-W707 HydrophobicContact CB-CE3 3.73Å; L681-W707 HydrophobicContact CB-CZ3 3.71Å; L681-W707 HydrophobicContact CD1-CB 4.39Å; L681-W707 HydrophobicContact CD1-CE3 3.92Å; L681-W707 HydrophobicContact CG-CE3 4.42Å; M683-W707 HydrophobicContact CB-CH2 4.02Å; M683-W707 HydrophobicContact CB-CZ3 3.83Å; M683-W707 HydrophobicContact CE-CH2 4.43Å; K692-W707 HydrophobicContact CB-CH2 3.73Å; K692-W707 HydrophobicContact CB-CZ2 3.79Å; R694-W707 HydrophobicContact CB-CD2 3.84Å; R694-W707 HydrophobicContact CB-CE3 4.07Å; R694-W707 HydrophobicContact CB-CG 4.44Å; R694-W707 HydrophobicContact CB-CH2 4.18Å; R694-W707 HydrophobicContact CB-CZ2 3.94Å; R694-W707 HydrophobicContact CB-CZ3 4.24Å; R694-W707 VanDerWaalsContact CD-CD1 3.46Å; W707-E709 HydrophobicContact CD2-CG 4.46Å; W707-E709 VanDerWaalsContact CE2-CG 3.46Å; W707-E709 VanDerWaalsContact CE2-OE1 3.3Å; W707-E709 HydrophobicContact CH2-CG 4.3Å; W707-E709 HydrophobicContact CZ2-CG 3.39Å; W707-E709 WeakPolarHBondContact CZ2-OE1 3.37Å; W707-E709 PolarHBondContact NE1-OE1 2.7Å
708	T	96.9	Very high	94	Very high	62 Å²	62	54.1 Å²	54.1	38%	0.38	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	134.6	177.1	-56	0	0	0	0	110	M663 A664 T665	M663-T708 HydrophobicContact CB-CG2 4.05Å; M663-T708 HydrophobicContact CG-CG2 4.32Å; M663-T708 HydrophobicContact SD-CG2 4.24Å; A664-T708 CarbonylContact O-C 3.54Å; A664-T708 VanDerWaalsContact O-CA 3.28Å; A664-T708 WeakPolarHBondContact O-CA 3.32Å; T665-T708 WeakPolarHBondContact CG2-OG1 3.23Å; T665-T708 WeakPolarHBondContact OG1-CG2 3.43Å; T665-T708 PolarHBondContact OG1-OG1 3.31Å
709	E	96.3	Very high	93.8	Very high	55 Å²	55	51.2 Å²	51.2	26%	0.257	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	147.5	171.7	-71.2	-69.7	148.4	0	0	110.7	M663 A664 M683 K692 W707	M663-E709 WeakPolarHBondContact CA-O 3.41Å; A664-E709 PolarHBondContact N-O 2.83Å; A664-E709 PolarHBondContact O-N 3.02Å; M683-E709 HydrophobicContact CE-CB 3.51Å; M683-E709 HydrophobicContact CE-CG 3.62Å; K692-E709 HydrophobicContact CB-CG 4.14Å; K692-E709 HydrophobicContact CG-CG 4.14Å; W707-E709 HydrophobicContact CD2-CG 4.46Å; W707-E709 VanDerWaalsContact CE2-CG 3.46Å; W707-E709 VanDerWaalsContact CE2-OE1 3.3Å; W707-E709 HydrophobicContact CH2-CG 4.3Å; W707-E709 HydrophobicContact CZ2-CG 3.39Å; W707-E709 WeakPolarHBondContact CZ2-OE1 3.37Å; W707-E709 PolarHBondContact NE1-OE1 2.7Å
710	M	94.3	Very high	93.6	Very high	106 Å²	106	51.8 Å²	51.8	52%	0.522	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	141.4	172.6	-62.2	-177.1	-53.4	0	0	110.2	E661 M662 M663	E661-M710 HydrophobicContact CG-CB 4.2Å; M662-M710 CarbonylContact O-C 3.57Å; M662-M710 VanDerWaalsContact O-CA 3.3Å; M662-M710 WeakPolarHBondContact O-CA 3.16Å; M663-M710 HydrophobicContact CG-CG 4.02Å
711	F	94.1	Very high	93.5	Very high	12 Å²	12	49 Å²	49	5%	0.053	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	156.8	175.3	70.5	-81.7	0	0	0	111.2	V652 M662 A664 V688 M689 V721 I739	V652-F711 HydrophobicContact CG1-CE1 4.14Å; V652-F711 HydrophobicContact CG1-CZ 3.94Å; M662-F711 HydrophobicContact CB-CD1 4.26Å; M662-F711 HydrophobicContact CB-CE1 3.76Å; M662-F711 HydrophobicContact CB-CE2 4.07Å; M662-F711 HydrophobicContact CB-CZ 3.66Å; M662-F711 HydrophobicContact CE-CZ 4.5Å; M662-F711 HydrophobicContact CG-CZ 4.42Å; M662-F711 PolarHBondContact N-O 2.92Å; M662-F711 PolarHBondContact O-N 2.76Å; M662-F711 HydrophobicContact SD-CE2 4.04Å; M662-F711 HydrophobicContact SD-CZ 4Å; A664-F711 HydrophobicContact CB-CD1 4.27Å; A664-F711 HydrophobicContact CB-CE1 3.87Å; V688-F711 HydrophobicContact CB-CD2 4.47Å; V688-F711 HydrophobicContact CB-CE2 4.21Å; V688-F711 HydrophobicContact CG2-CE2 4.45Å; V688-F711 WeakPolarHBondContact O-CD2 2.98Å; M689-F711 HydrophobicContact CB-CB 4.03Å; M689-F711 HydrophobicContact CB-CD2 3.98Å; M689-F711 HydrophobicContact CB-CG 3.98Å; M689-F711 HydrophobicContact CG-CB 3.84Å; M689-F711 HydrophobicContact CG-CG 4.13Å; M689-F711 HydrophobicContact SD-CB 3.9Å; M689-F711 HydrophobicContact SD-CD1 3.77Å; M689-F711 HydrophobicContact SD-CG 3.88Å; F711-V721 HydrophobicContact CE1-CG2 4.48Å; F711-V721 HydrophobicContact CZ-CG2 4.17Å; F711-I739 HydrophobicContact CE2-CD1 4.26Å; F711-I739 HydrophobicContact CZ-CD1 4.24Å
712	T	92.9	Very high	93.4	Very high	57 Å²	57	48 Å²	48	35%	0.35	28%	0.279	S	S	.	.			trans	-124.4	103	-179	-51.5	0	0	0	0	109.5	Q714	T712-Q714 PolarHBondContact O-N 3.05Å; T712-Q714 PolarHBondContact O-NE2 2.76Å
713	P	91.7	Very high	93.5	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.251	C	S	.	.			trans	-64.2	135.2	-179.6	29.4	-35.8	0	0	0	111	R657 N659 E660 M662 V688 V741	R657-P713 WeakPolarHBondContact O-CG 3.44Å; N659-P713 PolarHBondContact N-O 3.44Å; E660-P713 WeakPolarHBondContact O-CD 3.19Å; M662-P713 HydrophobicContact SD-CG 3.88Å; V688-P713 HydrophobicContact CB-CB 3.97Å; V688-P713 HydrophobicContact CG1-CB 3.69Å; P713-V741 HydrophobicContact CB-CB 4.49Å; P713-V741 HydrophobicContact CB-CG1 3.88Å; P713-V741 HydrophobicContact CB-CG2 3.8Å; P713-V741 HydrophobicContact CG-CG1 3.81Å; P713-V741 HydrophobicContact CG-CG2 4.08Å
714	Q	87.4	Confident	93.5	Very high	121 Å²	121	44.1 Å²	44.1	57%	0.565	24%	0.242	S	C	*	.			trans	-103.4	-4.7	-177.6	-62.2	-61.5	-59.6	0	0	112.8	N659 T712	N659-Q714 PolarHBondContact OD1-NE2 3.02Å; N659-Q714 PolarHBondContact OD1-OE1 2.86Å; T712-Q714 PolarHBondContact O-N 3.05Å; T712-Q714 PolarHBondContact O-NE2 2.76Å
715	R	87	Confident	93.5	Very high	43 Å²	43	40.4 Å²	40.4	16%	0.162	22%	0.217	C	C	.	.	S	Bend	trans	-137.8	137.3	-174.9	-62.1	-169.4	-72.2	-169.9	3.8	110.3	L89 E228 V741	L89-R715 PolarHBondContact O-NH1 2.87Å; E228-R715 IonicContact OE1-CZ 3.61Å; E228-R715 IonicContact OE1-NH1 3.11Å; E228-R715 PolarHBondContact OE1-NH1 3.26Å; E228-R715 IonicContact OE1-NH2 3.74Å; E228-R715 PolarHBondContact OE1-NH2 2.99Å; E228-R715 IonicContact OE2-CZ 3.43Å; E228-R715 VanDerWaalsContact OE2-CZ 3.24Å; E228-R715 IonicContact OE2-NH1 3.33Å; E228-R715 PolarHBondContact OE2-NH1 2.66Å; E228-R715 IonicContact OE2-NH2 2.65Å; E228-R715 PolarHBondContact OE2-NH2 2.84Å; R715-V741 WeakPolarHBondContact O-CG1 3.49Å
716	P	90.4	Very high	93.4	Very high	76 Å²	76	40.4 Å²	40.4	49%	0.494	22%	0.217	S	C	.	.			trans	-76.1	165.6	174.3	34	-34.9	0	0	0	110.7	V658 V741 T743	V658-P716 HydrophobicContact CG2-CB 3.97Å; V658-P716 HydrophobicContact CG2-CG 4.4Å; P716-V741 CarbonylContact C-O 3.59Å; P716-V741 VanDerWaalsContact CA-O 3.3Å; P716-V741 WeakPolarHBondContact CA-O 3.36Å; P716-V741 WeakPolarHBondContact CB-O 3.44Å; P716-T743 HydrophobicContact CB-CG2 3.99Å; P716-T743 HydrophobicContact CG-CG2 4.19Å
717	G	89.8	Confident	93.1	Very high	34 Å²	34	36.9 Å²	36.9	35%	0.351	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	120	177	172.6	0	0	0	0	0	114.2	T740 V741	G717-T740 WeakPolarHBondContact O-CA 3.34Å; G717-V741 PolarHBondContact N-O 3.27Å; G717-V741 PolarHBondContact O-N 2.97Å
718	K	90.1	Very high	92.6	Very high	140 Å²	140	41.2 Å²	41.2	61%	0.609	23%	0.226	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81.9	127.1	177.8	-172.3	-175	175.5	-159	0	109.5	D492 I739	D492-K718 IonicContact OD2-NZ 2.69Å; D492-K718 PolarHBondContact OD2-NZ 3.34Å; D492-K718 VanDerWaalsContact OD2-NZ 3.12Å; K718-I739 WeakPolarHBondContact CA-O 3.12Å
719	T	90.9	Very high	92.1	Very high	16 Å²	16	40.3 Å²	40.3	10%	0.098	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	-169.8	174.3	-170	0	0	0	0	109.9	P686 V688 I739	P686-T719 PolarHBondContact O-OG1 3.02Å; V688-T719 HydrophobicContact CB-CG2 4.29Å; V688-T719 HydrophobicContact CG1-CG2 3.57Å; V688-T719 HydrophobicContact CG2-CG2 3.73Å; T719-I739 HydrophobicContact CG2-CD1 3.82Å; T719-I739 HydrophobicContact CG2-CG1 3.52Å; T719-I739 PolarHBondContact N-O 2.89Å; T719-I739 PolarHBondContact O-N 3.1Å
720	R	92.7	Very high	91.8	Very high	20 Å²	20	38 Å²	38	8%	0.075	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	149.5	178.4	-57.4	-171.6	174.7	174.8	-1.8	111	L229 N244 D492 G685 P686 A737 S738	L229-R720 HydrophobicContact CD2-CG 3.93Å; N244-R720 PolarHBondContact OD1-NH1 3.19Å; D492-R720 IonicContact OD1-NH2 3.77Å; D492-R720 IonicContact OD2-CZ 3.55Å; D492-R720 IonicContact OD2-NH2 2.73Å; D492-R720 PolarHBondContact OD2-NH2 3.14Å; G685-R720 VanDerWaalsContact CA-O 3.23Å; G685-R720 WeakPolarHBondContact CA-O 3.14Å; P686-R720 WeakPolarHBondContact CD-O 3.47Å; R720-A737 CarbonylContact C-O 3.52Å; R720-A737 VanDerWaalsContact CA-O 3.22Å; R720-A737 WeakPolarHBondContact CA-O 3.4Å; R720-S738 PolarHBondContact NE-OG 3.01Å
721	V	94.9	Very high	91.6	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	130	158.4	174	0	0	0	0	107.2	V650 V652 A664 M683 M689 F711 Q736 A737 I739	V650-V721 HydrophobicContact CG1-CB 4.39Å; V650-V721 HydrophobicContact CG1-CG1 4Å; V652-V721 HydrophobicContact CG2-CB 4.04Å; V652-V721 HydrophobicContact CG2-CG2 3.88Å; A664-V721 HydrophobicContact CB-CG1 4.09Å; M683-V721 HydrophobicContact CG-CG1 3.71Å; M683-V721 HydrophobicContact SD-CG1 3.86Å; M689-V721 HydrophobicContact CE-CB 4.31Å; M689-V721 HydrophobicContact CE-CG1 3.41Å; M689-V721 VanDerWaalsContact CE-CG1 3.41Å; M689-V721 HydrophobicContact CE-CG2 4.02Å; F711-V721 HydrophobicContact CE1-CG2 4.48Å; F711-V721 HydrophobicContact CZ-CG2 4.17Å; V721-Q736 CarbonylContact O-C 3.57Å; V721-Q736 WeakPolarHBondContact O-CA 3.34Å; V721-Q736 WeakPolarHBondContact O-CB 3.13Å; V721-A737 PolarHBondContact N-O 3.1Å; V721-A737 PolarHBondContact O-N 2.94Å; V721-I739 HydrophobicContact CG2-CD1 4.4Å
722	M	95.6	Very high	91.2	Very high	7 Å²	7	35 Å²	35	3%	0.034	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	142.2	-179.3	49.5	177.3	94	0	0	109.9	L229 N244 N246 M683 E684 P686 G735 Q736	L229-M722 HydrophobicContact CD1-CE 3.33Å; N244-M722 HydrophobicContact CB-CE 3.8Å; N244-M722 HydrophobicContact CB-SD 4.02Å; N246-M722 HydrophobicContact CB-CE 4.47Å; M683-M722 WeakPolarHBondContact CA-O 3.4Å; E684-M722 HydrophobicContact CG-CG 4.31Å; E684-M722 PolarHBondContact N-O 3.19Å; E684-M722 WeakPolarHBondContact O-CG 3.22Å; E684-M722 PolarHBondContact O-N 2.82Å; P686-M722 HydrophobicContact CG-CE 3.88Å; M722-G735 WeakPolarHBondContact CA-O 3.19Å; M722-Q736 HydrophobicContact CB-CB 4.48Å
723	A	96.4	Very high	91.2	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.008	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	147.8	-178.8	0	0	0	0	0	111.6	L648 V650 V666 R682 M683 S734 G735	L648-A723 HydrophobicContact CD2-CB 3.67Å; V650-A723 HydrophobicContact CG2-CB 3.93Å; V666-A723 HydrophobicContact CG2-CB 3.69Å; R682-A723 CarbonylContact O-C 3.28Å; R682-A723 WeakPolarHBondContact O-CA 3.49Å; R682-A723 WeakPolarHBondContact O-CB 3.41Å; M683-A723 HydrophobicContact CB-CB 4.13Å; M683-A723 HydrophobicContact CG-CB 4.08Å; A723-S734 CarbonylContact O-C 3.51Å; A723-S734 VanDerWaalsContact O-CA 3.28Å; A723-S734 WeakPolarHBondContact O-CA 3.42Å; A723-G735 PolarHBondContact N-O 3.47Å; A723-G735 PolarHBondContact O-N 3.37Å
724	T	96.3	Very high	91.4	Very high	8 Å²	8	34.7 Å²	34.7	5%	0.049	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	146.9	175.5	56.3	0	0	0	0	110.5	S311 T313 L681 R682 V733	S311-T724 PolarHBondContact O-OG1 2.86Å; T313-T724 HydrophobicContact CG2-CG2 3.55Å; T313-T724 WeakPolarHBondContact CG2-OG1 3.36Å; L681-T724 WeakPolarHBondContact CA-O 3.43Å; R682-T724 PolarHBondContact N-O 2.83Å; R682-T724 PolarHBondContact O-N 3.44Å; T724-V733 CarbonylContact C-O 3.49Å; T724-V733 VanDerWaalsContact CA-O 3.29Å; T724-V733 WeakPolarHBondContact CA-O 3.3Å
725	L	95.4	Very high	91.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	130.7	166.8	-179	156	0	0	0	108	L648 F668 V679 Y680 L681 L705 L730 V733	L648-L725 HydrophobicContact CD1-CB 3.82Å; F668-L725 HydrophobicContact CB-CD1 4.07Å; F668-L725 HydrophobicContact CD1-CD1 3.4Å; F668-L725 VanDerWaalsContact CD1-CD1 3.4Å; F668-L725 HydrophobicContact CD2-CD1 4.18Å; F668-L725 HydrophobicContact CE1-CD1 3.83Å; F668-L725 HydrophobicContact CG-CD1 3.61Å; F668-L725 HydrophobicContact CZ-CD1 4.38Å; V679-L725 HydrophobicContact CG1-CD1 3.73Å; V679-L725 HydrophobicContact CG1-CD2 3.94Å; V679-L725 HydrophobicContact CG1-CG 3.61Å; Y680-L725 WeakPolarHBondContact O-CA 3.29Å; L681-L725 HydrophobicContact CD2-CB 3.69Å; L681-L725 HydrophobicContact CD2-CD1 3.98Å; L681-L725 HydrophobicContact CD2-CG 4.07Å; L705-L725 HydrophobicContact CD2-CD1 4.36Å; L725-L730 HydrophobicContact CD2-CD2 4.37Å; L725-V733 HydrophobicContact CB-CB 3.96Å; L725-V733 HydrophobicContact CB-CG1 3.86Å; L725-V733 HydrophobicContact CD2-CB 4.33Å; L725-V733 HydrophobicContact CD2-CG2 4.49Å; L725-V733 PolarHBondContact N-O 2.77Å; L725-V733 PolarHBondContact O-N 2.74Å
726	D	93.1	Very high	92.1	Very high	9 Å²	9	31 Å²	31	5%	0.048	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	132.6	179.2	-161.8	-84.6	0	0	0	111.6	A308 T310 Y680 R731	A308-D726 WeakPolarHBondContact CB-OD1 3.25Å; T310-D726 PolarHBondContact OG1-OD2 2.91Å; Y680-D726 PolarHBondContact N-O 2.82Å; Y680-D726 PolarHBondContact O-N 2.82Å; D726-R731 IonicContact OD1-NH1 2.77Å; D726-R731 PolarHBondContact OD1-NH1 3.21Å; D726-R731 IonicContact OD2-NH1 2.93Å
727	C	91.3	Very high	92.3	Very high	4 Å²	4	28.1 Å²	28.1	3%	0.027	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	173.9	163.9	67.5	0	0	0	0	110.5	E677 V679 G729 L730 R731	E677-C727 VanDerWaalsContact O-CB 3.28Å; E677-C727 WeakPolarHBondContact O-CB 3.49Å; V679-C727 HydrophobicContact CG2-CB 4.2Å; C727-G729 VanDerWaalsContact C-N 3.3Å; C727-G729 PolarHBondContact O-N 3.23Å; C727-L730 PolarHBondContact N-O 3.32Å; C727-L730 CarbonylContact O-C 3.6Å; C727-L730 VanDerWaalsContact O-C 3.27Å; C727-L730 PolarHBondContact O-N 2.91Å; C727-L730 PolarHBondContact SG-N 3.33Å; C727-L730 VanDerWaalsContact SG-N 3.39Å; C727-R731 WeakPolarHBondContact O-CG 3.48Å
728	S	87.4	Confident	92.4	Very high	95 Å²	95	30 Å²	30	66%	0.664	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-34.7	179.7	53.9	0	0	0	0	113.5
729	G	87.1	Confident	92.5	Very high	42 Å²	42	24 Å²	24	43%	0.433	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-17.3	179.6	0	0	0	0	0	114.6	C727	C727-G729 VanDerWaalsContact C-N 3.3Å; C727-G729 PolarHBondContact O-N 3.23Å
730	L	89.8	Confident	92.5	Very high	8 Å²	8	27.7 Å²	27.7	4%	0.042	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	113.8	179.1	-177.9	62.1	0	0	0	110.2	F668 F672 L676 L725 C727 V733	F668-L730 HydrophobicContact CE1-CD2 4.34Å; F668-L730 HydrophobicContact CE2-CD2 4.18Å; F668-L730 HydrophobicContact CZ-CD2 3.49Å; F668-L730 VanDerWaalsContact CZ-CD2 3.49Å; F672-L730 HydrophobicContact CE2-CB 4.43Å; F672-L730 HydrophobicContact CE2-CD1 3.87Å; F672-L730 HydrophobicContact CE2-CD2 3.9Å; F672-L730 HydrophobicContact CE2-CG 4.27Å; F672-L730 HydrophobicContact CZ-CD1 4.1Å; L676-L730 HydrophobicContact CD1-CB 4.13Å; L676-L730 HydrophobicContact CD1-CD2 3.86Å; L676-L730 HydrophobicContact CD2-CB 3.82Å; L725-L730 HydrophobicContact CD2-CD2 4.37Å; C727-L730 PolarHBondContact N-O 3.32Å; C727-L730 CarbonylContact O-C 3.6Å; C727-L730 VanDerWaalsContact O-C 3.27Å; C727-L730 PolarHBondContact O-N 2.91Å; C727-L730 PolarHBondContact SG-N 3.33Å; C727-L730 VanDerWaalsContact SG-N 3.39Å; L730-V733 HydrophobicContact CD1-CG2 3.99Å; L730-V733 HydrophobicContact CD2-CG2 3.52Å; L730-V733 HydrophobicContact CG-CG2 3.58Å
731	R	88.9	Confident	92.5	Very high	40 Å²	40	26.9 Å²	26.9	15%	0.151	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	162.2	178.7	-62	-172.9	-176.3	-77.3	8.5	110.8	G301 D726 C727 V733	G301-R731 PolarHBondContact O-NH2 3.28Å; D726-R731 IonicContact OD1-NH1 2.77Å; D726-R731 PolarHBondContact OD1-NH1 3.21Å; D726-R731 IonicContact OD2-NH1 2.93Å; C727-R731 WeakPolarHBondContact O-CG 3.48Å; R731-V733 VanDerWaalsContact C-N 3.29Å; R731-V733 PolarHBondContact O-N 3.49Å
732	Q	86.6	Confident	92.3	Very high	15 Å²	15	31.9 Å²	31.9	7%	0.07	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	61.6	34.6	171.2	-170.8	163.8	1.7	0	0	114.2	H234 R243 T310 Q617 T645	H234-Q732 PolarHBondContact CD2-NE2 2.99Å; H234-Q732 PolarHBondContact NE2-NE2 3.07Å; R243-Q732 VanDerWaalsContact NH2-CD 3.3Å; R243-Q732 VanDerWaalsContact NH2-NE2 3.15Å; T310-Q732 HydrophobicContact CG2-CB 4.09Å; Q617-Q732 VanDerWaalsContact CB-OE1 3.24Å; T645-Q732 PolarHBondContact OG1-O 3Å
733	V	93.1	Very high	91.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	124.5	165.5	169.2	0	0	0	0	107.5	P646 L648 F668 T724 L725 L730 R731	P646-V733 WeakPolarHBondContact O-CG1 2.96Å; L648-V733 HydrophobicContact CB-CG1 3.81Å; L648-V733 HydrophobicContact CD1-CG1 4.29Å; F668-V733 HydrophobicContact CD2-CG1 3.91Å; F668-V733 HydrophobicContact CE2-CG1 3.82Å; F668-V733 HydrophobicContact CE2-CG2 4.28Å; T724-V733 CarbonylContact C-O 3.49Å; T724-V733 VanDerWaalsContact CA-O 3.29Å; T724-V733 WeakPolarHBondContact CA-O 3.3Å; L725-V733 HydrophobicContact CB-CB 3.96Å; L725-V733 HydrophobicContact CB-CG1 3.86Å; L725-V733 HydrophobicContact CD2-CB 4.33Å; L725-V733 HydrophobicContact CD2-CG2 4.49Å; L725-V733 PolarHBondContact N-O 2.77Å; L725-V733 PolarHBondContact O-N 2.74Å; L730-V733 HydrophobicContact CD1-CG2 3.99Å; L730-V733 HydrophobicContact CD2-CG2 3.52Å; L730-V733 HydrophobicContact CG-CG2 3.58Å; R731-V733 VanDerWaalsContact C-N 3.29Å; R731-V733 PolarHBondContact O-N 3.49Å
734	S	94.5	Very high	91.6	Very high	50 Å²	50	40.7 Å²	40.7	35%	0.35	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	158.6	-179.8	65.8	0	0	0	0	111.9	L648 A723	L648-S734 PolarHBondContact N-O 3.28Å; L648-S734 VanDerWaalsContact N-O 3.11Å; A723-S734 CarbonylContact O-C 3.51Å; A723-S734 VanDerWaalsContact O-CA 3.28Å; A723-S734 WeakPolarHBondContact O-CA 3.42Å
735	G	95.3	Very high	91.3	Very high	13 Å²	13	42.4 Å²	42.4	13%	0.134	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	158.9	-179.3	0	0	0	0	0	110.5	L648 V650 M722 A723	L648-G735 WeakPolarHBondContact O-CA 3.49Å; V650-G735 VanDerWaalsContact CG2-C 3.42Å; M722-G735 WeakPolarHBondContact CA-O 3.19Å; A723-G735 PolarHBondContact N-O 3.47Å; A723-G735 PolarHBondContact O-N 3.37Å
736	Q	95.3	Very high	91.1	Very high	73 Å²	73	44.8 Å²	44.8	34%	0.341	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	157.3	177.9	59.9	169.7	5.3	0	0	112.4	N244 V721 M722	N244-Q736 PolarHBondContact ND2-OE1 3.05Å; N244-Q736 PolarHBondContact OD1-OE1 3.39Å; V721-Q736 CarbonylContact O-C 3.57Å; V721-Q736 WeakPolarHBondContact O-CA 3.34Å; V721-Q736 WeakPolarHBondContact O-CB 3.13Å; M722-Q736 HydrophobicContact CB-CB 4.48Å
737	A	94.7	Very high	91	Very high	16 Å²	16	46.9 Å²	46.9	13%	0.132	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	130.1	170.3	0	0	0	0	0	109.5	V650 V652 R720 V721	V650-A737 HydrophobicContact CB-CB 4.14Å; V650-A737 HydrophobicContact CG1-CB 3.81Å; V652-A737 HydrophobicContact CG2-CB 3.82Å; R720-A737 CarbonylContact C-O 3.52Å; R720-A737 VanDerWaalsContact CA-O 3.22Å; R720-A737 WeakPolarHBondContact CA-O 3.4Å; V721-A737 PolarHBondContact N-O 3.1Å; V721-A737 PolarHBondContact O-N 2.94Å
738	S	92.3	Very high	91	Very high	72 Å²	72	49.6 Å²	49.6	50%	0.503	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	139.4	172.4	-66.2	0	0	0	0	110.3	R720	R720-S738 PolarHBondContact NE-OG 3.01Å
739	I	91.4	Very high	91.2	Very high	14 Å²	14	46.5 Å²	46.5	7%	0.072	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	149.6	175.7	68.4	171.4	0	0	0	109.6	V652 V688 F711 K718 T719 V721 V741	V652-I739 HydrophobicContact CB-CG2 3.71Å; V652-I739 HydrophobicContact CG1-CG2 3.77Å; V652-I739 HydrophobicContact CG2-CG2 3.76Å; V688-I739 HydrophobicContact CB-CD1 4.42Å; V688-I739 HydrophobicContact CG1-CD1 4.37Å; V688-I739 HydrophobicContact CG2-CD1 4.05Å; F711-I739 HydrophobicContact CE2-CD1 4.26Å; F711-I739 HydrophobicContact CZ-CD1 4.24Å; K718-I739 WeakPolarHBondContact CA-O 3.12Å; T719-I739 HydrophobicContact CG2-CD1 3.82Å; T719-I739 HydrophobicContact CG2-CG1 3.52Å; T719-I739 PolarHBondContact N-O 2.89Å; T719-I739 PolarHBondContact O-N 3.1Å; V721-I739 HydrophobicContact CG2-CD1 4.4Å; I739-V741 HydrophobicContact CD1-CG2 4.1Å
740	T	91.7	Very high	91.5	Very high	95 Å²	95	46.9 Å²	46.9	58%	0.583	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	118.7	169	-58.1	0	0	0	0	106.9	G717	G717-T740 WeakPolarHBondContact O-CA 3.34Å
741	V	91.4	Very high	91.6	Very high	3 Å²	3	49.8 Å²	49.8	2%	0.018	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	118.1	178.7	-176.8	0	0	0	0	108.3	G656 V658 V688 P713 R715 P716 G717 I739	G656-V741 CarbonylContact O-C 3.49Å; G656-V741 WeakPolarHBondContact O-CA 3.31Å; V658-V741 HydrophobicContact CG2-CG1 3.79Å; V688-V741 HydrophobicContact CG1-CG2 3.98Å; P713-V741 HydrophobicContact CB-CB 4.49Å; P713-V741 HydrophobicContact CB-CG1 3.88Å; P713-V741 HydrophobicContact CB-CG2 3.8Å; P713-V741 HydrophobicContact CG-CG1 3.81Å; P713-V741 HydrophobicContact CG-CG2 4.08Å; R715-V741 WeakPolarHBondContact O-CG1 3.49Å; P716-V741 CarbonylContact C-O 3.59Å; P716-V741 VanDerWaalsContact CA-O 3.3Å; P716-V741 WeakPolarHBondContact CA-O 3.36Å; P716-V741 WeakPolarHBondContact CB-O 3.44Å; G717-V741 PolarHBondContact N-O 3.27Å; G717-V741 PolarHBondContact O-N 2.97Å; I739-V741 HydrophobicContact CD1-CG2 4.1Å
742	E	90.9	Very high	91.9	Very high	104 Å²	104	50.7 Å²	50.7	49%	0.486	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-76.3	155.4	173	-68.7	-179.2	179.8	0	0	111.1	G656 R657 V658	G656-E742 PolarHBondContact O-N 3.48Å; R657-E742 CarbonylContact C-O 3.13Å; R657-E742 WeakPolarHBondContact CA-O 3.48Å; R657-E742 HydrophobicContact CG-CB 3.81Å; R657-E742 IonicContact CZ-OE2 3.66Å; R657-E742 IonicContact NE-OE2 3.37Å; R657-E742 PolarHBondContact NE-OE2 3.48Å; R657-E742 IonicContact NH2-OE2 2.74Å; V658-E742 WeakPolarHBondContact CG2-O 3.33Å; V658-E742 PolarHBondContact N-O 3.46Å
743	T	85.2	Confident	92.3	Very high	153 Å²	153	53.9 Å²	53.9	94%	0.939	32%	0.323	S	S	*	.			trans	-67.3	0	176.5	48.5	0	0	0	0	113.5	P716	P716-T743 HydrophobicContact CB-CG2 3.99Å; P716-T743 HydrophobicContact CG-CG2 4.19Å

Retrieved 743 of 743 residues in 1253.2 ms (Link to these results)

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