A0A3B3UE51_9TELE Loading...

Thrombospondin 3a

Adhesive glycoprotein that mediates cell-to-cell and cell-to-matrix interactions. Can bind to fibrinogen, fibronectin, laminin and type V collagen.

AlphaFold DB , UniProt , Accession A0A3B3UE51, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 951 aa.

						>A0A3B3UE51_9TELE|A0A3B3UE51
MGWGFPVLLAVLFAQLSAGFPDGADVQVIDVLSLQDSKQNVAAVEKLSGGLSVLSDVYVVSTIRLPVKMGGVLFGLYSKQDNRKYLEVAIMGKIHKVLVRYVKADGKVHTVNLQNSVLADGRTHSIILRLGGLQRSNMQVELYADCRLVDSSQGVPPLVPLPREADMVEIRHGQKSYARLQGAVESLRLALGGSVAKAGALTDCPFQGDSSAFNSGKGEVQSILGEHTKALIGQLIIFNQILGELRQDIREQVKEMSLIRNTILECQVCGFHEPRSRCSPNPCYRGVSCMDSLQYPGYTCGQCPPGTTGNGTHCRDVDECELQPCYSPDACINTEGGFICKPCPPGLWGAPLAGTGLDYAKTHKQECVDIDECVDLSDACASNSVCINTVGSYKCGGCKPGFYGNQTSGCSPRKSCAALTFDPCDTNAHCAMERNGEVSCRCNVGWAGNGHTCGMDTDIDGYPDRSLPCMDNDKHCKQDNCMFTPNSGQEDADNDGIGDQCDEDADGDGIKNVEDNCRLVPNKDQQNSDSDSFGDSCDNCPTVPNSDQKDTDNNGQGDACDQDIDGDGIPNVLDNCPKVPNPMQTDRDRDGVGDACDSCPELSNPMQTDVDNDLVGDVCDTNLDSDGDGHQDSRDNCPDIPNSSQLDSDNDGLGDDCDHDDDNDGVIDDYDNCRLIINPNQKDSDANGVGDVCENDFDNDAVMDLIDVCPESAEVTLTDFRAYQTVILDPEGEAQIDPNWVVLNQGMEIVQTMNSDPGLAVGYTAFNGVDFEGTFHVNTVTDDDYAGFIFGYQDSSSFYVVMWKQTEQAYWQSVPFRATAQPALQLKAVKSQTGPGEYLRNALWHTGDTLGEVKLLWKDPRNAGWKDKTSYRWQLSHRPQVGYIRVRFFEGTDMVADSGVVIDTTMRGGRLGVFCFSQENIIWSNLRYRCNDTVPEDFAAHRQQFLMHIHV
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.4	Very low	32.3	Very low	253 Å²	253	143.2 Å²	143.2	100%	1.246	81%	0.807	S	S	*	*				0	126.4	0	-63.6	174.4	-174.2	0	0	107.4
2	G	32.3	Very low	31.9	Very low	59 Å²	59	142.6 Å²	142.6	61%	0.608	80%	0.799	S	S	*	*			cis	-160.4	117.4	-9	0	0	0	0	0	104.5
3	W	30.3	Very low	31.7	Very low	268 Å²	268	146.3 Å²	146.3	100%	1.015	80%	0.802	S	S	*	*				67.7	126.9	109	-65.2	35.8	0	0	0	113.8
4	G	27.1	Very low	31.3	Very low	76 Å²	76	142.9 Å²	142.9	78%	0.784	80%	0.803	S	S	*	*			cis	-177.5	158.9	5.6	0	0	0	0	0	112.5
5	F	34.4	Very low	31	Very low	196 Å²	196	147 Å²	147	86%	0.86	81%	0.813	S	S	*	*			trans	-67.9	164.9	147.6	-97	-98.8	0	0	0	108.9
6	P	50.4	Low	31	Very low	110 Å²	110	148.6 Å²	148.6	71%	0.714	82%	0.819	S	S	*	*			cis	-149.1	151.7	41.4	43.6	-21.3	0	0	0	116
7	V	33.2	Very low	30.9	Very low	109 Å²	109	146.9 Å²	146.9	66%	0.661	82%	0.82	S	S	*	*				93.2	135.8	98.8	168.5	0	0	0	0	117.7
8	L	28.6	Very low	30.7	Very low	148 Å²	148	143.9 Å²	143.9	78%	0.775	82%	0.817	S	S	*	*			trans	105.9	130.7	142.9	-98.4	145.6	0	0	0	122.2
9	L	27.1	Very low	30.6	Very low	149 Å²	149	140.3 Å²	140.3	78%	0.78	82%	0.815	S	S	*	*			trans	93.3	68.7	154.4	-87.6	129.4	0	0	0	120.8
10	A	28.6	Very low	30.5	Very low	82 Å²	82	143.1 Å²	143.1	68%	0.678	82%	0.817	S	S	*	*				32.1	130.4	106.9	0	0	0	0	0	121.2
11	V	30.3	Very low	30.4	Very low	125 Å²	125	141.2 Å²	141.2	76%	0.758	81%	0.81	S	S	*	*			trans	94.4	125.2	140.4	-144.3	0	0	0	0	120
12	L	27.7	Very low	30.4	Very low	136 Å²	136	137.9 Å²	137.9	71%	0.712	80%	0.797	S	S	*	*			trans	114.4	106.8	142.2	-83	115.5	0	0	0	118.2
13	F	28.4	Very low	30.8	Very low	191 Å²	191	138.1 Å²	138.1	84%	0.838	80%	0.8	S	S	*	*			trans	70.4	101.6	137	-80.1	-110.9	0	0	0	119.2
14	A	26.4	Very low	31.4	Very low	99 Å²	99	129 Å²	129	82%	0.818	78%	0.782	S	S	*	*				172.5	101.7	119.3	0	0	0	0	0	110.4
15	Q	26.8	Very low	32.8	Very low	204 Å²	204	132.6 Å²	132.6	95%	0.953	78%	0.783	S	S	*	*			trans	-136.9	94.9	153.7	-97.5	179	-22.5	0	0	108
16	L	30.3	Very low	34.3	Very low	172 Å²	172	124.7 Å²	124.7	90%	0.901	75%	0.751	S	S	*	*			trans	-131.5	140	161.6	-103	162.4	0	0	0	106.9
17	S	29.5	Very low	35.8	Very low	121 Å²	121	125 Å²	125	85%	0.846	74%	0.743	S	S	*	*			trans	83.8	80.3	174.2	71.1	0	0	0	0	118.3
18	A	28.1	Very low	38.2	Very low	93 Å²	93	122.9 Å²	122.9	77%	0.769	73%	0.73	S	S	*	*			trans	-132.8	106.6	132.3	0	0	0	0	0	107.1
19	G	29.1	Very low	41.1	Very low	74 Å²	74	116.5 Å²	116.5	76%	0.763	70%	0.697	S	S	*	*			trans	-72.9	147.7	174.9	0	0	0	0	0	111.7
20	F	27.6	Very low	44	Very low	197 Å²	197	112.2 Å²	112.2	86%	0.864	67%	0.674	S	S	*	*			trans	-135.6	153.3	164.1	-88.2	-77.3	0	0	0	107.5
21	P	29.6	Very low	46.9	Very low	103 Å²	103	108.4 Å²	108.4	67%	0.669	64%	0.643	S	S	*	*			trans	-95.6	156.7	-130.2	1.5	19.4	0	0	0	113.7	G23	P21-G23 PolarHBondContact O-N 2.69Å; P21-G23 VanDerWaalsContact O-N 3.09Å
22	D	32.9	Very low	49.6	Very low	183 Å²	183	103.9 Å²	103.9	98%	0.979	61%	0.614	S	S	*	*	S	Bend	trans	-54	108.4	156.5	-106	-29.1	0	0	0	109.3
23	G	39.8	Very low	52.3	Low	65 Å²	65	100.4 Å²	100.4	67%	0.67	60%	0.601	S	S	*	*	S	Bend	trans	139.1	59.2	-174.9	0	0	0	0	0	111.3	P21 D25	P21-G23 PolarHBondContact O-N 2.69Å; P21-G23 VanDerWaalsContact O-N 3.09Å; G23-D25 PolarHBondContact O-N 2.82Å
24	A	43.7	Very low	54.9	Low	77 Å²	77	92.6 Å²	92.6	64%	0.636	57%	0.568	S	S	*	*			trans	-69.7	107.5	-175.5	0	0	0	0	0	111.4
25	D	55.5	Low	57.1	Low	151 Å²	151	96 Å²	96	81%	0.807	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-58.8	131	161.6	-118.3	-14.8	0	0	0	109	G23 Q27	G23-D25 PolarHBondContact O-N 2.82Å; D25-Q27 PolarHBondContact O-N 3.11Å
26	V	67.1	Low	59.5	Low	30 Å²	30	91.4 Å²	91.4	18%	0.182	55%	0.549	C	S	.	.	P	Polyproline II helix	trans	-70.7	118.4	176.7	175.6	0	0	0	0	107.9	V28 A190 K197	V26-V28 HydrophobicContact CG1-CG2 3.95Å; V26-V28 PolarHBondContact O-N 2.82Å; V26-A190 HydrophobicContact CG1-CB 3.69Å; V26-K197 HydrophobicContact CG2-CB 3.99Å; V26-K197 HydrophobicContact CG2-CD 3.64Å; V26-K197 HydrophobicContact CG2-CG 4.49Å
27	Q	81.1	Confident	61.6	Low	116 Å²	116	87.4 Å²	87.4	54%	0.542	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	118	174.5	-68.8	-171.2	3.9	0	0	109.2	D25 L191	D25-Q27 PolarHBondContact O-N 3.11Å; Q27-L191 HydrophobicContact CB-CB 4.26Å; Q27-L191 PolarHBondContact N-O 3.15Å; Q27-L191 PolarHBondContact O-N 2.94Å
28	V	84.9	Confident	64	Low	64 Å²	64	90.1 Å²	90.1	39%	0.388	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	130.2	-178	-175.1	0	0	0	0	110.1	V26 R188 L189 L201	V26-V28 HydrophobicContact CG1-CG2 3.95Å; V26-V28 PolarHBondContact O-N 2.82Å; V28-R188 HydrophobicContact CG1-CB 3.98Å; V28-R188 HydrophobicContact CG1-CG 4.28Å; V28-L189 CarbonylContact C-O 3.56Å; V28-L189 WeakPolarHBondContact CA-O 3.33Å; V28-L201 HydrophobicContact CG1-CD1 4.24Å; V28-L201 HydrophobicContact CG2-CD1 3.86Å; V28-L201 HydrophobicContact CG2-CD2 4.21Å
29	I	88.8	Confident	66.6	Low	15 Å²	15	89.6 Å²	89.6	8%	0.077	51%	0.514	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	117.3	171.7	-56.6	173.6	0	0	0	107.6	V31 L34 A43 K46 L47 R188 L189 L191	I29-V31 PolarHBondContact O-N 3.25Å; I29-L34 HydrophobicContact CG2-CD1 4.43Å; I29-A43 HydrophobicContact CG2-CB 4.01Å; I29-K46 HydrophobicContact CD1-CB 4.01Å; I29-L47 HydrophobicContact CD1-CB 4.49Å; I29-R188 CarbonylContact O-C 3.37Å; I29-R188 VanDerWaalsContact O-CA 3.28Å; I29-R188 WeakPolarHBondContact O-CA 2.99Å; I29-L189 HydrophobicContact CB-CB 4.29Å; I29-L189 PolarHBondContact N-O 2.83Å; I29-L189 PolarHBondContact O-N 2.97Å; I29-L191 HydrophobicContact CD1-CD1 3.94Å
30	D	88.3	Confident	69.1	Low	59 Å²	59	87.9 Å²	87.9	32%	0.316	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	106.4	173.4	-169.7	-32.3	0	0	0	109.7	L32 S33 R188	D30-L32 PolarHBondContact OD1-N 2.95Å; D30-S33 PolarHBondContact O-N 3.33Å; D30-S33 PolarHBondContact O-OG 2.69Å; D30-R188 HydrophobicContact CB-CG 4.49Å; D30-R188 IonicContact OD2-NE 3.79Å
31	V	89.3	Confident	71.7	Confident	1 Å²	1	79.7 Å²	79.7	1%	0.006	45%	0.453	C	S	.	.	G	3₁₀ helix	trans	-72.4	-31.7	-170.9	-177.7	0	0	0	0	111.5	I29 S33 L34 F74 I170 H172 L187 L189	I29-V31 PolarHBondContact O-N 3.25Å; V31-S33 PolarHBondContact O-N 3.22Å; V31-L34 PolarHBondContact O-N 3.01Å; V31-F74 HydrophobicContact CG1-CD2 4.2Å; V31-F74 HydrophobicContact CG1-CE2 4.25Å; V31-F74 HydrophobicContact CG2-CE2 4.25Å; V31-I170 HydrophobicContact CG1-CG2 3.86Å; V31-H172 HydrophobicContact CG1-CB 4.13Å; V31-L187 HydrophobicContact CB-CB 4.43Å; V31-L187 HydrophobicContact CB-CD2 3.95Å; V31-L187 HydrophobicContact CB-CG 3.97Å; V31-L187 WeakPolarHBondContact CB-O 3.26Å; V31-L187 HydrophobicContact CG1-CD2 3.87Å; V31-L187 HydrophobicContact CG1-CG 4.43Å; V31-L187 HydrophobicContact CG2-CG 4.24Å; V31-L187 PolarHBondContact N-O 3.01Å; V31-L189 HydrophobicContact CG2-CD1 3.73Å; V31-L189 HydrophobicContact CG2-CG 3.69Å
32	L	86.9	Confident	74.3	Confident	31 Å²	31	76.7 Å²	76.7	16%	0.162	44%	0.437	C	S	.	.	G	3₁₀ helix	trans	-72.1	-19.1	179.3	-56.8	-176.3	0	0	0	112.3	D30 Q174 V184 L187	D30-L32 PolarHBondContact OD1-N 2.95Å; L32-Q174 HydrophobicContact CD2-CB 4.09Å; L32-Q174 HydrophobicContact CD2-CG 4.42Å; L32-V184 HydrophobicContact CD1-CG1 4.37Å; L32-V184 HydrophobicContact CD2-CG1 4.41Å; L32-L187 HydrophobicContact CD1-CB 4.36Å; L32-L187 HydrophobicContact CD2-CB 3.94Å; L32-L187 HydrophobicContact CD2-CD2 4.4Å; L32-L187 HydrophobicContact CG-CB 3.9Å
33	S	83.8	Confident	76.7	Confident	62 Å²	62	68.2 Å²	68.2	43%	0.434	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-85.4	-5.2	179.8	76.7	0	0	0	0	114.8	D30 V31 Q35	D30-S33 PolarHBondContact O-N 3.33Å; D30-S33 PolarHBondContact O-OG 2.69Å; V31-S33 PolarHBondContact O-N 3.22Å; S33-Q35 PolarHBondContact O-N 3.37Å; S33-Q35 VanDerWaalsContact O-N 3.14Å
34	L	83.6	Confident	78.9	Confident	27 Å²	27	65.1 Å²	65.1	14%	0.141	36%	0.36	C	S	.	.			trans	-82.1	90	-176.3	-59.2	175.1	0	0	0	110.8	I29 V31 Q39 N40 A43 I170	I29-L34 HydrophobicContact CG2-CD1 4.43Å; V31-L34 PolarHBondContact O-N 3.01Å; L34-Q39 HydrophobicContact CD2-CB 3.94Å; L34-N40 WeakPolarHBondContact CB-OD1 3.3Å; L34-A43 HydrophobicContact CD1-CB 3.84Å; L34-A43 HydrophobicContact CD2-CB 4.07Å; L34-I170 HydrophobicContact CD1-CD1 4.02Å
35	Q	71.9	Confident	80.8	Confident	172 Å²	172	67.4 Å²	67.4	80%	0.804	36%	0.358	S	S	*	.			trans	-96.5	-29	-176.4	-65.6	-174.5	-9.6	0	0	113.4	S33 Q39	S33-Q35 PolarHBondContact O-N 3.37Å; S33-Q35 VanDerWaalsContact O-N 3.14Å; Q35-Q39 VanDerWaalsContact N-OE1 3.13Å
36	D	78.4	Confident	82.2	Confident	106 Å²	106	66 Å²	66	57%	0.567	34%	0.344	S	S	*	.	S	Bend	trans	-109.5	149	-175.7	-71.6	-32.1	0	0	0	113.6	K38 Q39 N40	D36-K38 PolarHBondContact O-N 3.37Å; D36-K38 VanDerWaalsContact O-N 3.16Å; D36-Q39 HydrophobicContact CB-CG 4.37Å; D36-Q39 WeakPolarHBondContact O-CB 3.41Å; D36-Q39 PolarHBondContact O-N 2.74Å; D36-N40 PolarHBondContact O-N 3.29Å; D36-N40 VanDerWaalsContact O-N 3.14Å
37	S	74.8	Confident	83	Confident	89 Å²	89	64.9 Å²	64.9	62%	0.622	34%	0.337	S	S	*	.	H	α-helix	trans	-56.5	-34.3	179.1	60.9	0	0	0	0	113.4	N40 V41	S37-N40 PolarHBondContact O-N 3.49Å; S37-V41 WeakPolarHBondContact O-CG2 3.25Å; S37-V41 PolarHBondContact O-N 2.66Å; S37-V41 VanDerWaalsContact O-N 3.09Å
38	K	78.9	Confident	83.1	Confident	177 Å²	177	60.9 Å²	60.9	77%	0.77	32%	0.322	S	S	*	.	H	α-helix	trans	-67.1	-34.9	175.8	-68.6	-176.7	179.7	177.9	0	113.1	D36 A42	D36-K38 PolarHBondContact O-N 3.37Å; D36-K38 VanDerWaalsContact O-N 3.16Å; K38-A42 PolarHBondContact O-N 3.25Å; K38-A42 VanDerWaalsContact O-N 3.13Å
39	Q	82.2	Confident	82.8	Confident	83 Å²	83	59.5 Å²	59.5	39%	0.388	32%	0.321	S	S	.	.	H	α-helix	trans	-72	-38.9	177.2	-66.3	176.1	-38.8	0	0	110.7	L34 Q35 D36 A42 A43	L34-Q39 HydrophobicContact CD2-CB 3.94Å; Q35-Q39 VanDerWaalsContact N-OE1 3.13Å; D36-Q39 HydrophobicContact CB-CG 4.37Å; D36-Q39 WeakPolarHBondContact O-CB 3.41Å; D36-Q39 PolarHBondContact O-N 2.74Å; Q39-A42 PolarHBondContact O-N 3.45Å; Q39-A43 WeakPolarHBondContact O-CB 3.08Å; Q39-A43 PolarHBondContact O-N 3.46Å
40	N	81.8	Confident	82.2	Confident	37 Å²	37	59.1 Å²	59.1	20%	0.198	32%	0.32	C	S	.	.	H	α-helix	trans	-59.8	-45	173.5	-84.1	-32	0	0	0	112.1	L34 D36 S37 A43 V44	L34-N40 WeakPolarHBondContact CB-OD1 3.3Å; D36-N40 PolarHBondContact O-N 3.29Å; D36-N40 VanDerWaalsContact O-N 3.14Å; S37-N40 PolarHBondContact O-N 3.49Å; N40-A43 PolarHBondContact O-N 2.87Å; N40-V44 VanDerWaalsContact O-CG2 3.29Å; N40-V44 WeakPolarHBondContact O-CG2 3.21Å; N40-V44 PolarHBondContact O-N 3.4Å
41	V	83.4	Confident	81.8	Confident	25 Å²	25	57.3 Å²	57.3	15%	0.152	31%	0.311	C	S	.	.	H	α-helix	trans	-63.8	-45.3	178.1	175.7	0	0	0	0	111	S37 A43 V44 E45 A165 D166	S37-V41 WeakPolarHBondContact O-CG2 3.25Å; S37-V41 PolarHBondContact O-N 2.66Å; S37-V41 VanDerWaalsContact O-N 3.09Å; V41-A43 VanDerWaalsContact C-N 3.31Å; V41-A43 PolarHBondContact O-N 2.99Å; V41-V44 PolarHBondContact O-N 2.87Å; V41-E45 WeakPolarHBondContact O-CG 3.44Å; V41-E45 PolarHBondContact O-N 2.83Å; V41-A165 HydrophobicContact CG1-CB 4Å; V41-D166 WeakPolarHBondContact CG1-OD1 3.43Å; V41-D166 WeakPolarHBondContact CG2-OD1 3.16Å
42	A	83.4	Confident	81.1	Confident	41 Å²	41	60.7 Å²	60.7	34%	0.339	34%	0.335	S	S	.	.	H	α-helix	trans	-63.8	-33.6	175.8	0	0	0	0	0	113.2	K38 Q39 K46	K38-A42 PolarHBondContact O-N 3.25Å; K38-A42 VanDerWaalsContact O-N 3.13Å; Q39-A42 PolarHBondContact O-N 3.45Å; A42-K46 WeakPolarHBondContact O-CG 3.35Å; A42-K46 PolarHBondContact O-N 3.27Å
43	A	83.9	Confident	80.6	Confident	4 Å²	4	64.4 Å²	64.4	3%	0.033	36%	0.358	C	S	.	.	H	α-helix	trans	-69.8	-42.2	174.5	0	0	0	0	0	111.7	I29 L34 Q39 N40 V41 K46 L47 I170	I29-A43 HydrophobicContact CG2-CB 4.01Å; L34-A43 HydrophobicContact CD1-CB 3.84Å; L34-A43 HydrophobicContact CD2-CB 4.07Å; Q39-A43 WeakPolarHBondContact O-CB 3.08Å; Q39-A43 PolarHBondContact O-N 3.46Å; N40-A43 PolarHBondContact O-N 2.87Å; V41-A43 VanDerWaalsContact C-N 3.31Å; V41-A43 PolarHBondContact O-N 2.99Å; A43-K46 PolarHBondContact O-N 2.85Å; A43-L47 VanDerWaalsContact O-CB 3.29Å; A43-L47 WeakPolarHBondContact O-CB 3.34Å; A43-L47 PolarHBondContact O-N 3.38Å; A43-I170 HydrophobicContact CB-CD1 3.89Å
44	V	85.3	Confident	80.4	Confident	0 Å²	0	64 Å²	64	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-64.3	-40.8	174.9	171.1	0	0	0	0	111.3	N40 V41 L47 S48 A165 V168 I170	N40-V44 VanDerWaalsContact O-CG2 3.29Å; N40-V44 WeakPolarHBondContact O-CG2 3.21Å; N40-V44 PolarHBondContact O-N 3.4Å; V41-V44 PolarHBondContact O-N 2.87Å; V44-L47 PolarHBondContact O-N 2.75Å; V44-S48 WeakPolarHBondContact O-CB 3.25Å; V44-S48 PolarHBondContact O-N 2.04Å; V44-A165 HydrophobicContact CB-CB 4.15Å; V44-A165 HydrophobicContact CG1-CB 3.72Å; V44-V168 HydrophobicContact CG1-CB 3.86Å; V44-V168 HydrophobicContact CG1-CG1 4.37Å; V44-V168 HydrophobicContact CG1-CG2 4.33Å; V44-V168 HydrophobicContact CG2-CB 4.26Å; V44-V168 HydrophobicContact CG2-CG1 4.32Å; V44-I170 HydrophobicContact CG2-CD1 3.93Å; V44-I170 HydrophobicContact CG2-CG1 3.88Å
45	E	83.9	Confident	80.2	Confident	125 Å²	125	66 Å²	66	58%	0.584	37%	0.367	S	S	*	.	H	α-helix	trans	-61.1	-45.8	175.8	-75.9	-177.1	167.4	0	0	111.8	V41 G49 A165	V41-E45 WeakPolarHBondContact O-CG 3.44Å; V41-E45 PolarHBondContact O-N 2.83Å; E45-G49 PolarHBondContact O-N 3.35Å; E45-A165 HydrophobicContact CG-CB 3.46Å; E45-A165 VanDerWaalsContact CG-CB 3.46Å
46	K	84.1	Confident	80.8	Confident	122 Å²	122	58.7 Å²	58.7	53%	0.53	33%	0.334	S	S	.	.	H	α-helix	trans	-63.4	-42	176.3	-74	176.9	-178.9	-177.9	0	112.1	I29 A42 A43 G49 G50 L191	I29-K46 HydrophobicContact CD1-CB 4.01Å; A42-K46 WeakPolarHBondContact O-CG 3.35Å; A42-K46 PolarHBondContact O-N 3.27Å; A43-K46 PolarHBondContact O-N 2.85Å; K46-G49 PolarHBondContact O-N 3.19Å; K46-G50 PolarHBondContact O-N 3.46Å; K46-L191 HydrophobicContact CB-CD1 4.41Å
47	L	84.4	Confident	81.3	Confident	6 Å²	6	53.9 Å²	53.9	3%	0.031	31%	0.308	C	S	.	.	H	α-helix	trans	-70.7	-39.7	-179.8	-171.5	126.7	0	0	0	112.1	I29 A43 V44 G50 L51 L76 L161 L189 L191	I29-L47 HydrophobicContact CD1-CB 4.49Å; A43-L47 VanDerWaalsContact O-CB 3.29Å; A43-L47 WeakPolarHBondContact O-CB 3.34Å; A43-L47 PolarHBondContact O-N 3.38Å; V44-L47 PolarHBondContact O-N 2.75Å; L47-G50 PolarHBondContact O-N 2.84Å; L47-L51 HydrophobicContact CD2-CD1 3.61Å; L47-L51 HydrophobicContact CD2-CG 4.35Å; L47-L51 HydrophobicContact CG-CD1 4.27Å; L47-L51 HydrophobicContact CG-CG 4.5Å; L47-L51 WeakPolarHBondContact O-CB 3.31Å; L47-L51 WeakPolarHBondContact O-CG 3.31Å; L47-L51 PolarHBondContact O-N 3.01Å; L47-L76 HydrophobicContact CD2-CD1 3.49Å; L47-L76 VanDerWaalsContact CD2-CD1 3.49Å; L47-L76 HydrophobicContact CD2-CD2 4.44Å; L47-L161 HydrophobicContact CD2-CD1 3.55Å; L47-L189 HydrophobicContact CD1-CD1 3.44Å; L47-L189 VanDerWaalsContact CD1-CD1 3.44Å; L47-L191 HydrophobicContact CD1-CD2 4.5Å
48	S	82.8	Confident	82.1	Confident	33 Å²	33	49.7 Å²	49.7	23%	0.231	28%	0.279	C	S	.	.	H	α-helix	trans	-62.5	-44	173.5	-175.7	0	0	0	0	111.2	V44 S52	V44-S48 WeakPolarHBondContact O-CB 3.25Å; V44-S48 PolarHBondContact O-N 2.04Å; S48-S52 WeakPolarHBondContact O-CB 3.18Å; S48-S52 PolarHBondContact O-N 3.12Å; S48-S52 PolarHBondContact O-OG 3.39Å
49	G	78.6	Confident	82.7	Confident	35 Å²	35	41.5 Å²	41.5	36%	0.361	24%	0.243	S	C	.	.	H	α-helix	trans	-59.5	-47.6	171.1	0	0	0	0	0	112.4	E45 K46 S52 V53	E45-G49 PolarHBondContact O-N 3.35Å; K46-G49 PolarHBondContact O-N 3.19Å; G49-S52 PolarHBondContact O-N 3.32Å; G49-S52 PolarHBondContact O-OG 2.73Å; G49-V53 WeakPolarHBondContact O-CG2 3.45Å; G49-V53 PolarHBondContact O-N 2.78Å
50	G	77.5	Confident	83.2	Confident	6 Å²	6	37.6 Å²	37.6	6%	0.062	23%	0.225	C	C	.	.	H	α-helix	trans	-60.3	-49	179.1	0	0	0	0	0	113.4	K46 L47 S52 V53 L54	K46-G50 PolarHBondContact O-N 3.46Å; L47-G50 PolarHBondContact O-N 2.84Å; G50-S52 PolarHBondContact O-N 3.35Å; G50-V53 PolarHBondContact O-N 2.77Å; G50-L54 VanDerWaalsContact O-CB 3.24Å; G50-L54 WeakPolarHBondContact O-CB 3.38Å; G50-L54 WeakPolarHBondContact O-CG 3.48Å; G50-L54 PolarHBondContact O-N 3.36Å
51	L	78.9	Confident	83.7	Confident	22 Å²	22	35.8 Å²	35.8	12%	0.115	22%	0.216	C	C	.	.	H	α-helix	trans	-61.6	-28.5	177.6	-72	171.7	0	0	0	112.7	L47 V57 L133 L158 L161	L47-L51 HydrophobicContact CD2-CD1 3.61Å; L47-L51 HydrophobicContact CD2-CG 4.35Å; L47-L51 HydrophobicContact CG-CD1 4.27Å; L47-L51 HydrophobicContact CG-CG 4.5Å; L47-L51 WeakPolarHBondContact O-CB 3.31Å; L47-L51 WeakPolarHBondContact O-CG 3.31Å; L47-L51 PolarHBondContact O-N 3.01Å; L51-V57 HydrophobicContact CD2-CG2 4.17Å; L51-L133 HydrophobicContact CD2-CD1 3.91Å; L51-L133 HydrophobicContact CD2-CD2 4Å; L51-L158 HydrophobicContact CD1-CD2 4.04Å; L51-L161 HydrophobicContact CD1-CD1 3.86Å; L51-L161 HydrophobicContact CD1-CG 4.24Å
52	S	74.7	Confident	84.1	Confident	72 Å²	72	35.5 Å²	35.5	50%	0.503	21%	0.214	S	C	.	.	H	α-helix	trans	-86.8	-17.2	-179.4	72.4	0	0	0	0	115.2	S48 G49 G50 Q134	S48-S52 WeakPolarHBondContact O-CB 3.18Å; S48-S52 PolarHBondContact O-N 3.12Å; S48-S52 PolarHBondContact O-OG 3.39Å; G49-S52 PolarHBondContact O-N 3.32Å; G49-S52 PolarHBondContact O-OG 2.73Å; G50-S52 PolarHBondContact O-N 3.35Å; S52-Q134 PolarHBondContact O-NE2 2.82Å
53	V	76.5	Confident	84.5	Confident	109 Å²	109	33.6 Å²	33.6	66%	0.661	20%	0.198	S	C	*	.	H	α-helix	trans	-122.4	-33.3	-172.5	179.3	0	0	0	0	113.1	G49 G50	G49-V53 WeakPolarHBondContact O-CG2 3.45Å; G49-V53 PolarHBondContact O-N 2.78Å; G50-V53 PolarHBondContact O-N 2.77Å
54	L	80.6	Confident	84.8	Confident	53 Å²	53	38.7 Å²	38.7	28%	0.277	22%	0.216	S	C	.	.			trans	-88.4	150.5	-173.8	-58.7	169.6	0	0	0	111	G50 L191	G50-L54 VanDerWaalsContact O-CB 3.24Å; G50-L54 WeakPolarHBondContact O-CB 3.38Å; G50-L54 WeakPolarHBondContact O-CG 3.48Å; G50-L54 PolarHBondContact O-N 3.36Å; L54-L191 HydrophobicContact CD1-CB 3.59Å
55	S	77.4	Confident	84.9	Confident	70 Å²	70	38.7 Å²	38.7	49%	0.49	22%	0.216	S	C	.	.	S	Bend	trans	-75.8	-36	174.9	63.5	0	0	0	0	112	G131 G132 L133	S55-G131 CarbonylContact O-C 3.56Å; S55-G132 PolarHBondContact O-N 2.82Å; S55-L133 PolarHBondContact O-N 2.77Å
56	D	84.4	Confident	84.8	Confident	17 Å²	17	34 Å²	34	9%	0.091	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	136.6	-168.7	-64.8	14.5	0	0	0	111	Y58 R129 L130 G131 G192	D56-Y58 HydrophobicContact CB-CE2 4.11Å; D56-Y58 PolarHBondContact OD2-OH 3.34Å; D56-R129 IonicContact OD2-CZ 2.77Å; D56-R129 VanDerWaalsContact OD2-CZ 3.23Å; D56-R129 IonicContact OD2-NE 3.66Å; D56-R129 PolarHBondContact OD2-NE 3.33Å; D56-R129 IonicContact OD2-NH2 3.9Å; D56-R129 PolarHBondContact OD2-NH2 3.48Å; D56-L130 WeakPolarHBondContact CA-O 3.48Å; D56-G131 WeakPolarHBondContact OD1-CA 3.45Å; D56-G192 WeakPolarHBondContact O-CA 3.43Å; D56-G192 PolarHBondContact O-N 3.16Å; D56-G192 VanDerWaalsContact O-N 3.11Å
57	V	89.6	Confident	84.7	Confident	5 Å²	5	32.9 Å²	32.9	3%	0.03	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	139.3	172.4	171.9	0	0	0	0	108.9	L51 L130 L133 L191	L51-V57 HydrophobicContact CD2-CG2 4.17Å; V57-L130 PolarHBondContact N-O 3.42Å; V57-L130 PolarHBondContact O-N 3.38Å; V57-L133 HydrophobicContact CB-CD1 4.09Å; V57-L133 HydrophobicContact CG2-CD1 3.63Å; V57-L191 HydrophobicContact CG1-CD2 3.89Å; V57-L191 HydrophobicContact CG2-CD2 3.97Å
58	Y	91.4	Very high	84.5	Confident	1 Å²	1	37.1 Å²	37.1	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	130.6	-177.5	-53.4	-88.7	0	0	0	111.1	D56 I127 L128 R129 L189 A190 G193 V195 A198	D56-Y58 HydrophobicContact CB-CE2 4.11Å; D56-Y58 PolarHBondContact OD2-OH 3.34Å; Y58-I127 HydrophobicContact CD1-CG2 4.2Å; Y58-L128 CarbonylContact C-O 3.53Å; Y58-L128 WeakPolarHBondContact CA-O 3.05Å; Y58-R129 HydrophobicContact CD1-CB 3.72Å; Y58-R129 HydrophobicContact CD1-CG 3.83Å; Y58-R129 HydrophobicContact CE1-CB 3.7Å; Y58-R129 HydrophobicContact CE1-CG 3.37Å; Y58-L189 CarbonylContact O-C 3.13Å; Y58-L189 WeakPolarHBondContact O-CA 3.36Å; Y58-A190 HydrophobicContact CD2-CB 4.4Å; Y58-A190 PolarHBondContact N-O 2.74Å; Y58-A190 PolarHBondContact O-N 2.76Å; Y58-G193 PolarHBondContact OH-O 2.92Å; Y58-V195 HydrophobicContact CE1-CB 4.48Å; Y58-V195 HydrophobicContact CE1-CG2 3.79Å; Y58-V195 PolarHBondContact OH-N 3.02Å; Y58-A198 HydrophobicContact CD1-CB 4Å; Y58-A198 HydrophobicContact CD2-CB 4.08Å; Y58-A198 HydrophobicContact CE1-CB 4.49Å; Y58-A198 HydrophobicContact CG-CB 3.78Å
59	V	92.5	Very high	84.6	Confident	5 Å²	5	39.4 Å²	39.4	3%	0.03	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	116.2	164.3	-171.7	0	0	0	0	107.3	I127 L128 L187 L189	V59-I127 CarbonylContact O-C 3.52Å; V59-I127 WeakPolarHBondContact O-CA 2.97Å; V59-L128 HydrophobicContact CB-CB 4.18Å; V59-L128 HydrophobicContact CG2-CD2 4.49Å; V59-L128 PolarHBondContact N-O 3.35Å; V59-L128 PolarHBondContact O-N 3.35Å; V59-L187 HydrophobicContact CG1-CD1 4Å; V59-L189 HydrophobicContact CB-CD2 4.1Å; V59-L189 HydrophobicContact CG1-CD2 3.96Å; V59-L189 HydrophobicContact CG2-CD2 3.7Å
60	V	92.4	Very high	84.9	Confident	1 Å²	1	39 Å²	39	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	125.6	-174	-170.7	0	0	0	0	108.1	I126 I127 L187 R188 A198 L201 T202	V60-I126 WeakPolarHBondContact CA-O 3.3Å; V60-I127 HydrophobicContact CG1-CG1 4.24Å; V60-I127 HydrophobicContact CG2-CG2 4.32Å; V60-L187 WeakPolarHBondContact O-CA 3.35Å; V60-R188 PolarHBondContact N-O 3.4Å; V60-R188 PolarHBondContact O-N 3.31Å; V60-A198 HydrophobicContact CG2-CB 4.25Å; V60-L201 HydrophobicContact CG1-CB 4.29Å; V60-T202 HydrophobicContact CG1-CG2 3.32Å
61	S	92.5	Very high	85.4	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	146	-177.9	-166.7	0	0	0	0	112.2	I63 I126 S186	S61-I63 WeakPolarHBondContact OG-CG2 3.15Å; S61-I126 PolarHBondContact N-O 3.3Å; S61-I126 VanDerWaalsContact O-CG1 3.29Å; S61-I126 WeakPolarHBondContact O-CG1 3.23Å; S61-I126 PolarHBondContact O-N 3.07Å; S61-S186 WeakPolarHBondContact CA-O 3.23Å; S61-S186 WeakPolarHBondContact CB-O 3.45Å; S61-S186 PolarHBondContact OG-O 3.47Å
62	T	92.3	Very high	86	Confident	19 Å²	19	41.1 Å²	41.1	12%	0.117	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	122.4	167.4	-51.7	0	0	0	0	107.5	T123 H124 E185 S186 T202	T62-T123 HydrophobicContact CG2-CG2 3.5Å; T62-H124 WeakPolarHBondContact CA-O 3.49Å; T62-E185 HydrophobicContact CG2-CB 4.31Å; T62-E185 WeakPolarHBondContact CG2-OE2 3.25Å; T62-E185 PolarHBondContact O-N 2.8Å; T62-S186 WeakPolarHBondContact CB-OG 3.34Å; T62-S186 PolarHBondContact N-O 3.35Å; T62-S186 VanDerWaalsContact N-O 3.08Å; T62-S186 PolarHBondContact N-OG 2.8Å; T62-S186 VanDerWaalsContact N-OG 3.13Å; T62-S186 PolarHBondContact O-N 2.72Å; T62-S186 PolarHBondContact OG1-OG 2.76Å; T62-S186 VanDerWaalsContact OG1-OG 3.12Å; T62-T202 WeakPolarHBondContact OG1-CG2 3.47Å
63	I	91.8	Very high	86.7	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	149.9	-172.4	60.7	174.2	0	0	0	110.8	S61 L65 L73 I90 T123 H124 I126 A183 V184	S61-I63 WeakPolarHBondContact OG-CG2 3.15Å; I63-L65 HydrophobicContact CD1-CD1 4.18Å; I63-L73 HydrophobicContact CG2-CD1 3.68Å; I63-I90 HydrophobicContact CD1-CD1 3.09Å; I63-T123 CarbonylContact O-C 3.54Å; I63-T123 WeakPolarHBondContact O-CA 3.27Å; I63-H124 PolarHBondContact N-O 3.15Å; I63-H124 PolarHBondContact O-N 2.92Å; I63-I126 HydrophobicContact CD1-CD1 3.85Å; I63-I126 HydrophobicContact CD1-CG1 4.43Å; I63-I126 HydrophobicContact CD1-CG2 4.45Å; I63-I126 HydrophobicContact CG1-CD1 4.48Å; I63-A183 CarbonylContact C-O 3.54Å; I63-A183 WeakPolarHBondContact CA-O 3.36Å; I63-V184 HydrophobicContact CG2-CB 4.49Å; I63-V184 HydrophobicContact CG2-CG1 4.22Å; I63-V184 HydrophobicContact CG2-CG2 4.2Å
64	R	90.4	Very high	87.5	Confident	112 Å²	112	32.6 Å²	32.6	42%	0.423	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	115.2	168.4	-176.6	176.1	67.6	141	6.3	107.6	G182 A183	R64-G182 CarbonylContact O-C 3.44Å; R64-G182 WeakPolarHBondContact O-CA 2.76Å; R64-A183 HydrophobicContact CB-CB 4.48Å; R64-A183 PolarHBondContact N-O 3.26Å; R64-A183 PolarHBondContact O-N 3.49Å
65	L	87.2	Confident	88	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.171	C	C	.	.			trans	-112.8	135.7	178.4	-81.5	169.7	0	0	0	108.9	I63 I90 A119 G121 Y177	I63-L65 HydrophobicContact CD1-CD1 4.18Å; L65-I90 HydrophobicContact CD1-CB 4.21Å; L65-I90 HydrophobicContact CD1-CD1 4.28Å; L65-I90 HydrophobicContact CD1-CG2 3.8Å; L65-A119 HydrophobicContact CB-CB 3.88Å; L65-A119 HydrophobicContact CD1-CB 4.35Å; L65-G121 WeakPolarHBondContact O-CA 3.5Å; L65-G121 PolarHBondContact O-N 3.11Å; L65-Y177 HydrophobicContact CD1-CE1 3.8Å; L65-Y177 HydrophobicContact CD2-CD1 3.35Å; L65-Y177 HydrophobicContact CD2-CE1 3.3Å; L65-Y177 HydrophobicContact CD2-CG 4.12Å; L65-Y177 HydrophobicContact CG-CD1 3.96Å; L65-Y177 HydrophobicContact CG-CE1 3.64Å
66	P	80.6	Confident	88.7	Confident	27 Å²	27	26.9 Å²	26.9	18%	0.175	15%	0.148	C	C	.	.			trans	-64.1	162.4	168.7	3.8	5	0	0	0	111.2	K68 M69 L180 Q181	P66-K68 PolarHBondContact O-N 2.78Å; P66-M69 HydrophobicContact CB-CG 4.4Å; P66-M69 HydrophobicContact CG-CB 4.29Å; P66-M69 HydrophobicContact CG-CG 4.35Å; P66-M69 HydrophobicContact CG-SD 4.17Å; P66-M69 PolarHBondContact O-N 2.93Å; P66-L180 WeakPolarHBondContact CG-O 3.28Å; P66-Q181 HydrophobicContact CG-CB 4.49Å
67	V	82.3	Confident	88.9	Confident	97 Å²	97	26.6 Å²	26.6	59%	0.588	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	135.9	-173.3	-173.6	0	0	0	0	111.3	M69 A119	V67-M69 PolarHBondContact O-N 3.42Å; V67-A119 VanDerWaalsContact CA-O 3.29Å; V67-A119 WeakPolarHBondContact CA-O 3.39Å
68	K	80.8	Confident	88.7	Confident	96 Å²	96	26.7 Å²	26.7	42%	0.417	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	3.8	179.9	-65.3	177.1	-177.1	-178.7	0	114.7	P66 G92 K93 A119 D651	P66-K68 PolarHBondContact O-N 2.78Å; K68-G92 CarbonylContact O-C 3.39Å; K68-K93 HydrophobicContact CB-CG 4.49Å; K68-K93 VanDerWaalsContact O-CG 3.27Å; K68-K93 WeakPolarHBondContact O-CG 3.47Å; K68-K93 PolarHBondContact O-N 3.4Å; K68-A119 PolarHBondContact N-O 2.94Å; K68-D651 IonicContact NZ-OD1 3.92Å; K68-D651 PolarHBondContact NZ-OD1 2.79Å; K68-D651 IonicContact NZ-OD2 3.79Å; K68-D651 PolarHBondContact NZ-OD2 3.1Å
69	M	84.1	Confident	88.4	Confident	81 Å²	81	31.7 Å²	31.7	40%	0.399	17%	0.168	S	C	.	.			trans	-94.7	146.5	179.7	-63.1	-149.2	-165.3	0	0	114	P66 V67 G92 A119 L180	P66-M69 HydrophobicContact CB-CG 4.4Å; P66-M69 HydrophobicContact CG-CB 4.29Å; P66-M69 HydrophobicContact CG-CG 4.35Å; P66-M69 HydrophobicContact CG-SD 4.17Å; P66-M69 PolarHBondContact O-N 2.93Å; V67-M69 PolarHBondContact O-N 3.42Å; M69-G92 WeakPolarHBondContact O-CA 3.06Å; M69-A119 VanDerWaalsContact O-CB 3.24Å; M69-A119 WeakPolarHBondContact O-CB 3.37Å; M69-L180 HydrophobicContact SD-CB 3.86Å; M69-L180 HydrophobicContact SD-CD2 3.72Å; M69-L180 HydrophobicContact SD-CG 4.26Å
70	G	84.8	Confident	87.9	Confident	27 Å²	27	38.6 Å²	38.6	28%	0.278	20%	0.2	S	C	.	.			trans	-151.3	179.2	-178.3	0	0	0	0	0	113.5	I90	G70-I90 CarbonylContact C-O 3.31Å; G70-I90 WeakPolarHBondContact CA-O 3.36Å
71	G	87.9	Confident	87.3	Confident	22 Å²	22	43.1 Å²	43.1	23%	0.227	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.8	178	176.5	0	0	0	0	0	113.3	L73 I90 Y177	G71-L73 PolarHBondContact O-N 3.25Å; G71-I90 PolarHBondContact N-O 3.37Å; G71-I90 PolarHBondContact O-N 2.95Å; G71-Y177 PolarHBondContact O-OH 2.01Å
72	V	91.9	Very high	86.9	Confident	49 Å²	49	47.2 Å²	47.2	30%	0.297	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	118.7	176.6	179.5	0	0	0	0	109.9	E87 A89 G173 Y177	V72-E87 HydrophobicContact CG1-CG 3.88Å; V72-E87 HydrophobicContact CG2-CG 4.16Å; V72-A89 HydrophobicContact CG2-CB 4.19Å; V72-G173 WeakPolarHBondContact O-CA 3.3Å; V72-Y177 WeakPolarHBondContact O-CE2 3.23Å
73	L	90.2	Very high	86.4	Confident	1 Å²	1	51 Å²	51	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-48	176.4	178.9	68.1	0	0	0	111.1	I63 G71 V88 I90 I126 H172 G173 Y177 V184 L187	I63-L73 HydrophobicContact CG2-CD1 3.68Å; G71-L73 PolarHBondContact O-N 3.25Å; L73-V88 PolarHBondContact N-O 3.49Å; L73-I90 HydrophobicContact CD2-CD1 4.39Å; L73-I126 HydrophobicContact CD2-CD1 3.35Å; L73-H172 WeakPolarHBondContact O-CA 3.09Å; L73-G173 PolarHBondContact O-N 3.06Å; L73-Y177 HydrophobicContact CD1-CE1 4.45Å; L73-V184 HydrophobicContact CD1-CG1 4.22Å; L73-V184 HydrophobicContact CD1-CG2 4.07Å; L73-L187 HydrophobicContact CD2-CD1 4.38Å; L73-L187 HydrophobicContact CG-CD1 4.22Å
74	F	93.1	Very high	86.1	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.009	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	141.8	-174.2	170.7	-101.1	0	0	0	110.5	V31 L76 L86 E87 V88 I170 L187 L189	V31-F74 HydrophobicContact CG1-CD2 4.2Å; V31-F74 HydrophobicContact CG1-CE2 4.25Å; V31-F74 HydrophobicContact CG2-CE2 4.25Å; F74-L76 HydrophobicContact CE1-CD2 4.43Å; F74-L76 HydrophobicContact CE1-CG 4.15Å; F74-L76 HydrophobicContact CE2-CD2 4.46Å; F74-L76 HydrophobicContact CZ-CD2 3.76Å; F74-L76 HydrophobicContact CZ-CG 3.97Å; F74-L86 HydrophobicContact CE1-CD2 4.34Å; F74-E87 WeakPolarHBondContact O-CA 3.49Å; F74-V88 PolarHBondContact N-O 3.11Å; F74-V88 PolarHBondContact O-N 2.95Å; F74-I170 HydrophobicContact CD2-CG2 4.22Å; F74-I170 HydrophobicContact CE2-CG2 3.54Å; F74-I170 HydrophobicContact CZ-CG2 4.4Å; F74-L187 HydrophobicContact CB-CD1 4.42Å; F74-L187 HydrophobicContact CB-CD2 4.22Å; F74-L187 HydrophobicContact CD2-CD2 4.23Å; F74-L189 HydrophobicContact CE1-CD1 4.47Å; F74-L189 HydrophobicContact CE1-CD2 4.19Å; F74-L189 HydrophobicContact CE2-CD1 3.76Å; F74-L189 HydrophobicContact CE2-CD2 4.33Å; F74-L189 HydrophobicContact CE2-CG 4.47Å; F74-L189 HydrophobicContact CZ-CD1 3.58Å; F74-L189 HydrophobicContact CZ-CD2 4.04Å; F74-L189 HydrophobicContact CZ-CG 4.41Å
75	G	91.6	Very high	86.1	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.9	158.3	169.4	0	0	0	0	0	115.2	Y77 L86 R171	G75-Y77 VanDerWaalsContact C-CE2 3.47Å; G75-L86 CarbonylContact C-O 3.14Å; G75-L86 WeakPolarHBondContact CA-O 3.39Å; G75-R171 PolarHBondContact N-O 2.96Å; G75-R171 PolarHBondContact O-N 3.23Å
76	L	90.8	Very high	86.2	Confident	2 Å²	2	51 Å²	51	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	119.8	177	-60.4	177.3	0	0	0	108.5	L47 F74 Y85 L86 L161 V168 E169 I170	L47-L76 HydrophobicContact CD2-CD1 3.49Å; L47-L76 VanDerWaalsContact CD2-CD1 3.49Å; L47-L76 HydrophobicContact CD2-CD2 4.44Å; F74-L76 HydrophobicContact CE1-CD2 4.43Å; F74-L76 HydrophobicContact CE1-CG 4.15Å; F74-L76 HydrophobicContact CE2-CD2 4.46Å; F74-L76 HydrophobicContact CZ-CD2 3.76Å; F74-L76 HydrophobicContact CZ-CG 3.97Å; L76-Y85 PolarHBondContact O-N 3.23Å; L76-L86 HydrophobicContact CB-CB 4.47Å; L76-L86 HydrophobicContact CD1-CB 4.22Å; L76-L86 HydrophobicContact CG-CB 4.47Å; L76-L86 PolarHBondContact N-O 3.29Å; L76-L161 HydrophobicContact CD1-CD1 4.25Å; L76-L161 HydrophobicContact CD1-CD2 4.47Å; L76-V168 HydrophobicContact CB-CG1 4.31Å; L76-E169 WeakPolarHBondContact CA-O 3.29Å; L76-I170 HydrophobicContact CD2-CB 4.41Å; L76-I170 HydrophobicContact CD2-CG1 3.68Å
77	Y	89.3	Confident	86.9	Confident	12 Å²	12	49.9 Å²	49.9	5%	0.047	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	145.8	-173.7	-60	-98.9	0	0	0	110.6	G75 R83 K84 E87 V168 E169 R171	G75-Y77 VanDerWaalsContact C-CE2 3.47Å; Y77-R83 CarbonylContact C-O 3.5Å; Y77-R83 WeakPolarHBondContact CA-O 3.25Å; Y77-K84 HydrophobicContact CD1-CB 4.48Å; Y77-K84 HydrophobicContact CD1-CG 3.94Å; Y77-K84 HydrophobicContact CE1-CB 4.36Å; Y77-K84 HydrophobicContact CE1-CD 4.08Å; Y77-K84 HydrophobicContact CE1-CG 3.66Å; Y77-E87 PolarHBondContact OH-OE2 2.92Å; Y77-V168 CarbonylContact O-C 3.59Å; Y77-V168 WeakPolarHBondContact O-CA 2.96Å; Y77-E169 PolarHBondContact N-O 3.42Å; Y77-E169 PolarHBondContact O-N 2.04Å; Y77-R171 HydrophobicContact CD2-CB 3.98Å; Y77-R171 HydrophobicContact CD2-CG 3.72Å; Y77-R171 HydrophobicContact CE2-CB 3.76Å; Y77-R171 HydrophobicContact CE2-CG 3.97Å
78	S	85.9	Confident	87.4	Confident	6 Å²	6	45.4 Å²	45.4	4%	0.042	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	132.5	166.6	166.4	0	0	0	0	110.1	Q80 D81 N82 R83	S78-Q80 VanDerWaalsContact C-N 3.25Å; S78-Q80 PolarHBondContact O-N 3.02Å; S78-Q80 PolarHBondContact OG-N 3.04Å; S78-D81 WeakPolarHBondContact CB-OD1 3.17Å; S78-D81 PolarHBondContact OG-OD1 2.94Å; S78-N82 WeakPolarHBondContact O-CA 3.25Å; S78-N82 PolarHBondContact O-N 3.02Å; S78-R83 PolarHBondContact N-O 2.78Å
79	K	84.2	Confident	87.9	Confident	107 Å²	107	41.1 Å²	41.1	47%	0.465	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-17.4	175.8	-71.7	-172.5	-171.6	155.9	0	113.8	D166 M167 E169	K79-D166 WeakPolarHBondContact CD-O 3.48Å; K79-D166 WeakPolarHBondContact CE-O 3.31Å; K79-D166 PolarHBondContact NZ-O 3.3Å; K79-M167 PolarHBondContact N-O 2.81Å; K79-E169 HydrophobicContact CG-CB 3.87Å
80	Q	82	Confident	88.2	Confident	149 Å²	149	37.4 Å²	37.4	70%	0.696	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-46.6	-175	-68.7	-173	-16.3	0	0	112.7	S78 M167	S78-Q80 VanDerWaalsContact C-N 3.25Å; S78-Q80 PolarHBondContact O-N 3.02Å; S78-Q80 PolarHBondContact OG-N 3.04Å; Q80-M167 VanDerWaalsContact NE2-CE 3.29Å
81	D	80.9	Confident	88.4	Confident	96 Å²	96	39.7 Å²	39.7	51%	0.513	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.4	6.8	-171.2	63.7	-11.4	0	0	0	112.6	S78 R83	S78-D81 WeakPolarHBondContact CB-OD1 3.17Å; S78-D81 PolarHBondContact OG-OD1 2.94Å; D81-R83 PolarHBondContact O-N 2.04Å; D81-R83 VanDerWaalsContact OD1-CB 3.26Å; D81-R83 WeakPolarHBondContact OD1-CB 3.45Å; D81-R83 PolarHBondContact OD1-N 3.44Å
82	N	82.1	Confident	88	Confident	86 Å²	86	38.7 Å²	38.7	46%	0.46	19%	0.185	S	C	.	.			trans	57.4	19.7	-178.2	-153.8	37.1	0	0	0	113.8	S78 R171	S78-N82 WeakPolarHBondContact O-CA 3.25Å; S78-N82 PolarHBondContact O-N 3.02Å; N82-R171 VanDerWaalsContact OD1-CZ 3.27Å; N82-R171 PolarHBondContact OD1-NH1 3.17Å; N82-R171 PolarHBondContact OD1-NH2 3.35Å
83	R	82.9	Confident	87.5	Confident	98 Å²	98	44.8 Å²	44.8	37%	0.37	21%	0.207	S	C	.	.			trans	-68.1	134.4	-179.7	-172.9	175.2	-179.9	-176	0.7	110.9	Y77 S78 D81 Y85 V102 G106	Y77-R83 CarbonylContact C-O 3.5Å; Y77-R83 WeakPolarHBondContact CA-O 3.25Å; S78-R83 PolarHBondContact N-O 2.78Å; D81-R83 PolarHBondContact O-N 2.04Å; D81-R83 VanDerWaalsContact OD1-CB 3.26Å; D81-R83 WeakPolarHBondContact OD1-CB 3.45Å; D81-R83 PolarHBondContact OD1-N 3.44Å; R83-Y85 PolarHBondContact O-N 3.21Å; R83-V102 HydrophobicContact CG-CG2 4.29Å; R83-G106 VanDerWaalsContact NH2-CA 3.32Å; R83-G106 PolarHBondContact NH2-O 3.38Å
84	K	86.3	Confident	87.1	Confident	75 Å²	75	48.7 Å²	48.7	33%	0.326	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	107.4	-175.2	-47.1	-174.2	177	-168.6	0	110.3	Y77 E87 V102	Y77-K84 HydrophobicContact CD1-CB 4.48Å; Y77-K84 HydrophobicContact CD1-CG 3.94Å; Y77-K84 HydrophobicContact CE1-CB 4.36Å; Y77-K84 HydrophobicContact CE1-CD 4.08Å; Y77-K84 HydrophobicContact CE1-CG 3.66Å; K84-E87 HydrophobicContact CD-CB 4.4Å; K84-E87 WeakPolarHBondContact CD-OE2 3.15Å; K84-E87 VanDerWaalsContact CE-OE2 3.28Å; K84-E87 WeakPolarHBondContact CE-OE2 3.43Å; K84-E87 IonicContact NZ-OE1 3.11Å; K84-E87 PolarHBondContact NZ-OE1 3.25Å; K84-E87 IonicContact NZ-OE2 2.98Å; K84-E87 PolarHBondContact NZ-OE2 3.18Å; K84-V102 WeakPolarHBondContact O-CG2 3.05Å
85	Y	88.4	Confident	86.6	Confident	29 Å²	29	52 Å²	52	11%	0.114	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	-40.9	173.8	-71	-70.6	0	0	0	111.7	L76 R83 Y101 V102 V159 L161 P162 V168	L76-Y85 PolarHBondContact O-N 3.23Å; R83-Y85 PolarHBondContact O-N 3.21Å; Y85-Y101 VanDerWaalsContact O-CA 3.31Å; Y85-Y101 WeakPolarHBondContact O-CA 3.4Å; Y85-Y101 VanDerWaalsContact O-CB 3.25Å; Y85-Y101 WeakPolarHBondContact O-CB 3.04Å; Y85-V102 PolarHBondContact O-N 3.49Å; Y85-V159 HydrophobicContact CD1-CG1 3.72Å; Y85-V159 HydrophobicContact CE1-CG1 4.18Å; Y85-L161 HydrophobicContact CD1-CD2 3.99Å; Y85-L161 HydrophobicContact CD2-CD2 3.99Å; Y85-L161 HydrophobicContact CG-CD2 3.62Å; Y85-P162 HydrophobicContact CE1-CG 4.46Å; Y85-P162 HydrophobicContact CE2-CG 4.33Å; Y85-P162 VanDerWaalsContact OH-CG 3.22Å; Y85-P162 WeakPolarHBondContact OH-CG 3.05Å; Y85-V168 HydrophobicContact CD2-CG1 4.32Å; Y85-V168 HydrophobicContact CD2-CG2 4.4Å; Y85-V168 HydrophobicContact CE2-CG2 4.05Å
86	L	90.9	Very high	86.3	Confident	8 Å²	8	55.3 Å²	55.3	4%	0.042	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	133.2	175.4	176	64	0	0	0	108	F74 G75 L76 V99 R100 L130 L158	F74-L86 HydrophobicContact CE1-CD2 4.34Å; G75-L86 CarbonylContact C-O 3.14Å; G75-L86 WeakPolarHBondContact CA-O 3.39Å; L76-L86 HydrophobicContact CB-CB 4.47Å; L76-L86 HydrophobicContact CD1-CB 4.22Å; L76-L86 HydrophobicContact CG-CB 4.47Å; L76-L86 PolarHBondContact N-O 3.29Å; L86-V99 HydrophobicContact CD1-CG1 3.77Å; L86-R100 CarbonylContact C-O 3.36Å; L86-R100 VanDerWaalsContact CA-O 3.31Å; L86-R100 WeakPolarHBondContact CA-O 3.42Å; L86-L130 HydrophobicContact CD1-CD1 4.46Å; L86-L130 HydrophobicContact CD2-CD1 3.86Å; L86-L158 HydrophobicContact CB-CD1 4.41Å; L86-L158 HydrophobicContact CD1-CD1 4.3Å
87	E	93.6	Very high	86.3	Confident	4 Å²	4	55.3 Å²	55.3	2%	0.019	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	127.4	176.8	177.6	179.8	80.5	0	0	107.8	V72 F74 Y77 K84 V99 R100	V72-E87 HydrophobicContact CG1-CG 3.88Å; V72-E87 HydrophobicContact CG2-CG 4.16Å; F74-E87 WeakPolarHBondContact O-CA 3.49Å; Y77-E87 PolarHBondContact OH-OE2 2.92Å; K84-E87 HydrophobicContact CD-CB 4.4Å; K84-E87 WeakPolarHBondContact CD-OE2 3.15Å; K84-E87 VanDerWaalsContact CE-OE2 3.28Å; K84-E87 WeakPolarHBondContact CE-OE2 3.43Å; K84-E87 IonicContact NZ-OE1 3.11Å; K84-E87 PolarHBondContact NZ-OE1 3.25Å; K84-E87 IonicContact NZ-OE2 2.98Å; K84-E87 PolarHBondContact NZ-OE2 3.18Å; E87-V99 CarbonylContact O-C 3.55Å; E87-V99 WeakPolarHBondContact O-CA 3.47Å; E87-R100 HydrophobicContact CB-CB 4.35Å; E87-R100 PolarHBondContact N-O 3.03Å; E87-R100 PolarHBondContact O-N 3.44Å; E87-R100 IonicContact OE1-NH1 2.91Å
88	V	92.9	Very high	86.4	Confident	4 Å²	4	55.3 Å²	55.3	2%	0.024	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	117	173.3	-176.6	0	0	0	0	106.9	L73 F74 V97 L98 V99 L128	L73-V88 PolarHBondContact N-O 3.49Å; F74-V88 PolarHBondContact N-O 3.11Å; F74-V88 PolarHBondContact O-N 2.95Å; V88-V97 HydrophobicContact CG1-CG1 4.06Å; V88-L98 WeakPolarHBondContact CA-O 3.23Å; V88-V99 HydrophobicContact CG2-CG1 4.47Å; V88-V99 HydrophobicContact CG2-CG2 4.5Å; V88-L128 HydrophobicContact CG1-CD2 4.11Å; V88-L128 HydrophobicContact CG2-CD2 3.6Å
89	A	92.4	Very high	86.7	Confident	5 Å²	5	55 Å²	55	4%	0.041	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	142.6	179.7	0	0	0	0	0	110.2	V72 L98	V72-A89 HydrophobicContact CG2-CB 4.19Å; A89-L98 PolarHBondContact N-O 2.95Å; A89-L98 PolarHBondContact O-N 3Å
90	I	90.9	Very high	87.1	Confident	4 Å²	4	54.1 Å²	54.1	2%	0.021	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	124	176.7	-56.8	176.7	0	0	0	106.5	I63 L65 G70 G71 L73 V97 L118 I126	I63-I90 HydrophobicContact CD1-CD1 3.09Å; L65-I90 HydrophobicContact CD1-CB 4.21Å; L65-I90 HydrophobicContact CD1-CD1 4.28Å; L65-I90 HydrophobicContact CD1-CG2 3.8Å; G70-I90 CarbonylContact C-O 3.31Å; G70-I90 WeakPolarHBondContact CA-O 3.36Å; G71-I90 PolarHBondContact N-O 3.37Å; G71-I90 PolarHBondContact O-N 2.95Å; L73-I90 HydrophobicContact CD2-CD1 4.39Å; I90-V97 HydrophobicContact CG1-CG2 4.38Å; I90-L118 HydrophobicContact CD1-CD1 4.44Å; I90-L118 HydrophobicContact CG2-CB 4.25Å; I90-L118 HydrophobicContact CG2-CD1 4.31Å; I90-I126 HydrophobicContact CD1-CD1 3.9Å
91	M	88.4	Confident	87.6	Confident	74 Å²	74	47 Å²	47	37%	0.365	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	95.4	179	-59.8	-67.7	-65.8	0	0	108.1	I94 H95 K96 L98	M91-I94 HydrophobicContact CB-CD1 3.81Å; M91-I94 HydrophobicContact CB-CG1 3.47Å; M91-I94 VanDerWaalsContact CB-CG1 3.47Å; M91-I94 HydrophobicContact CE-CD1 4.22Å; M91-I94 HydrophobicContact CG-CD1 4.18Å; M91-I94 HydrophobicContact CG-CG1 4.38Å; M91-I94 PolarHBondContact O-N 2.87Å; M91-H95 PolarHBondContact O-N 2.78Å; M91-H95 VanDerWaalsContact O-N 3.08Å; M91-K96 WeakPolarHBondContact CB-O 3.4Å; M91-K96 PolarHBondContact N-O 2.95Å; M91-K96 PolarHBondContact O-N 3.03Å; M91-L98 HydrophobicContact CG-CD1 3.45Å; M91-L98 VanDerWaalsContact CG-CD1 3.45Å; M91-L98 HydrophobicContact CG-CG 3.73Å; M91-L98 HydrophobicContact SD-CD1 3.84Å
92	G	79.9	Confident	87.9	Confident	2 Å²	2	42.5 Å²	42.5	2%	0.021	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-59.5	-47.2	-175.8	0	0	0	0	0	113.4	K68 M69 I94 H95	K68-G92 CarbonylContact O-C 3.39Å; M69-G92 WeakPolarHBondContact O-CA 3.06Å; G92-I94 PolarHBondContact O-N 3.34Å; G92-H95 PolarHBondContact O-N 3.35Å; G92-H95 PolarHBondContact O-ND1 3.44Å
93	K	80.1	Confident	88.1	Confident	176 Å²	176	40 Å²	40	77%	0.765	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-55.4	-33.3	179.9	-69.1	-164.2	173.9	-163	0	114.4	K68	K68-K93 HydrophobicContact CB-CG 4.49Å; K68-K93 VanDerWaalsContact O-CG 3.27Å; K68-K93 WeakPolarHBondContact O-CG 3.47Å; K68-K93 PolarHBondContact O-N 3.4Å
94	I	81.6	Confident	87.7	Confident	84 Å²	84	38.7 Å²	38.7	43%	0.431	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-118.6	13.1	-172.2	59.6	178.4	0	0	0	112.8	M91 G92 K96	M91-I94 HydrophobicContact CB-CD1 3.81Å; M91-I94 HydrophobicContact CB-CG1 3.47Å; M91-I94 VanDerWaalsContact CB-CG1 3.47Å; M91-I94 HydrophobicContact CE-CD1 4.22Å; M91-I94 HydrophobicContact CG-CD1 4.18Å; M91-I94 HydrophobicContact CG-CG1 4.38Å; M91-I94 PolarHBondContact O-N 2.87Å; G92-I94 PolarHBondContact O-N 3.34Å; I94-K96 HydrophobicContact CB-CD 4.37Å; I94-K96 HydrophobicContact CD1-CB 4.35Å; I94-K96 HydrophobicContact CD1-CD 3.87Å; I94-K96 HydrophobicContact CG1-CB 4.12Å; I94-K96 HydrophobicContact CG1-CD 4.06Å; I94-K96 HydrophobicContact CG1-CG 4.39Å; I94-K96 WeakPolarHBondContact O-CG 3.33Å; I94-K96 PolarHBondContact O-N 3.04Å
95	H	82.9	Confident	87.3	Confident	72 Å²	72	39.9 Å²	39.9	33%	0.333	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	44.5	40.5	-179.1	-56.4	-52.8	0	0	0	115.2	M91 G92	M91-H95 PolarHBondContact O-N 2.78Å; M91-H95 VanDerWaalsContact O-N 3.08Å; G92-H95 PolarHBondContact O-N 3.35Å; G92-H95 PolarHBondContact O-ND1 3.44Å
96	K	86.1	Confident	86.6	Confident	68 Å²	68	40 Å²	40	30%	0.296	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	141.5	-178.4	-75.4	162.6	-167.8	169.5	0	111.7	M91 I94 L113 Q114	M91-K96 WeakPolarHBondContact CB-O 3.4Å; M91-K96 PolarHBondContact N-O 2.95Å; M91-K96 PolarHBondContact O-N 3.03Å; I94-K96 HydrophobicContact CB-CD 4.37Å; I94-K96 HydrophobicContact CD1-CB 4.35Å; I94-K96 HydrophobicContact CD1-CD 3.87Å; I94-K96 HydrophobicContact CG1-CB 4.12Å; I94-K96 HydrophobicContact CG1-CD 4.06Å; I94-K96 HydrophobicContact CG1-CG 4.39Å; I94-K96 WeakPolarHBondContact O-CG 3.33Å; I94-K96 PolarHBondContact O-N 3.04Å; K96-L113 WeakPolarHBondContact CA-O 3.29Å; K96-Q114 HydrophobicContact CG-CG 4.41Å
97	V	90.2	Very high	86.2	Confident	3 Å²	3	46.4 Å²	46.4	2%	0.018	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	119.2	165.7	-178.1	0	0	0	0	108.6	V88 I90 L113 L118 L142	V88-V97 HydrophobicContact CG1-CG1 4.06Å; I90-V97 HydrophobicContact CG1-CG2 4.38Å; V97-L113 HydrophobicContact CB-CB 4.43Å; V97-L113 PolarHBondContact N-O 3.42Å; V97-L113 PolarHBondContact O-N 3Å; V97-L118 HydrophobicContact CG2-CD1 3.63Å; V97-L142 HydrophobicContact CB-CD2 3.9Å; V97-L142 HydrophobicContact CG2-CD1 4.33Å; V97-L142 HydrophobicContact CG2-CD2 3.57Å
98	L	92.1	Very high	85.8	Confident	12 Å²	12	50.5 Å²	50.5	6%	0.063	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	124	179.1	-61.3	-179	0	0	0	110	V88 A89 M91 T110 N112	V88-L98 WeakPolarHBondContact CA-O 3.23Å; A89-L98 PolarHBondContact N-O 2.95Å; A89-L98 PolarHBondContact O-N 3Å; M91-L98 HydrophobicContact CG-CD1 3.45Å; M91-L98 VanDerWaalsContact CG-CD1 3.45Å; M91-L98 HydrophobicContact CG-CG 3.73Å; M91-L98 HydrophobicContact SD-CD1 3.84Å; L98-T110 HydrophobicContact CD2-CG2 4.33Å; L98-N112 HydrophobicContact CD2-CB 4.36Å; L98-N112 WeakPolarHBondContact CD2-OD1 3.41Å
99	V	92.6	Very high	85.6	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	105.4	171.3	-173.9	0	0	0	0	108.5	L86 E87 V88 Y101 V111 L113 L128 V140	L86-V99 HydrophobicContact CD1-CG1 3.77Å; E87-V99 CarbonylContact O-C 3.55Å; E87-V99 WeakPolarHBondContact O-CA 3.47Å; V88-V99 HydrophobicContact CG2-CG1 4.47Å; V88-V99 HydrophobicContact CG2-CG2 4.5Å; V99-Y101 HydrophobicContact CG1-CD1 4.48Å; V99-V111 HydrophobicContact CB-CB 4.3Å; V99-V111 PolarHBondContact N-O 2.84Å; V99-V111 PolarHBondContact O-N 3.38Å; V99-L113 HydrophobicContact CG2-CD1 4.16Å; V99-L128 HydrophobicContact CG1-CD2 4.38Å; V99-L128 HydrophobicContact CG2-CD1 3.95Å; V99-L128 HydrophobicContact CG2-CD2 3.63Å; V99-L128 HydrophobicContact CG2-CG 4.44Å; V99-V140 HydrophobicContact CG2-CG1 4.36Å
100	R	92.6	Very high	85.6	Confident	88 Å²	88	55.6 Å²	55.6	33%	0.332	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	126.7	-180	-67.2	174.3	177	161.3	-5.2	109.8	L86 E87 H109 T110	L86-R100 CarbonylContact C-O 3.36Å; L86-R100 VanDerWaalsContact CA-O 3.31Å; L86-R100 WeakPolarHBondContact CA-O 3.42Å; E87-R100 HydrophobicContact CB-CB 4.35Å; E87-R100 PolarHBondContact N-O 3.03Å; E87-R100 PolarHBondContact O-N 3.44Å; E87-R100 IonicContact OE1-NH1 2.91Å; R100-H109 CarbonylContact C-O 3.49Å; R100-H109 WeakPolarHBondContact CA-O 3.13Å; R100-T110 HydrophobicContact CG-CG2 3.76Å
101	Y	90.8	Very high	85.6	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	159.1	177.2	66.5	-86.9	0	0	0	112.6	Y85 V99 K103 V108 H109 V111 M138 V155 P156 L158	Y85-Y101 VanDerWaalsContact O-CA 3.31Å; Y85-Y101 WeakPolarHBondContact O-CA 3.4Å; Y85-Y101 VanDerWaalsContact O-CB 3.25Å; Y85-Y101 WeakPolarHBondContact O-CB 3.04Å; V99-Y101 HydrophobicContact CG1-CD1 4.48Å; Y101-K103 HydrophobicContact CE2-CG 4.26Å; Y101-V108 CarbonylContact O-C 3.31Å; Y101-V108 WeakPolarHBondContact O-CA 3.32Å; Y101-H109 AromaticContact CE1-CD2 3.95Å; Y101-H109 AromaticContact CZ-CD2 3.85Å; Y101-H109 PolarHBondContact N-O 3.07Å; Y101-H109 PolarHBondContact O-N 3.21Å; Y101-V111 HydrophobicContact CE1-CG2 3.95Å; Y101-M138 HydrophobicContact CE1-CE 3.96Å; Y101-M138 HydrophobicContact CE2-CE 4.17Å; Y101-V155 WeakPolarHBondContact OH-CB 3.39Å; Y101-P156 VanDerWaalsContact CE2-O 3.31Å; Y101-P156 WeakPolarHBondContact CE2-O 3.33Å; Y101-P156 PolarHBondContact OH-O 3.48Å; Y101-L158 HydrophobicContact CD2-CB 4.19Å; Y101-L158 HydrophobicContact CD2-CD1 3.68Å; Y101-L158 HydrophobicContact CD2-CG 4.18Å; Y101-L158 HydrophobicContact CE2-CB 4.44Å; Y101-L158 HydrophobicContact CG-CD1 3.77Å
102	V	87.5	Confident	85.7	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.006	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	126.7	176.3	171.7	0	0	0	0	109.5	R83 K84 Y85 V108 V159	R83-V102 HydrophobicContact CG-CG2 4.29Å; K84-V102 WeakPolarHBondContact O-CG2 3.05Å; Y85-V102 PolarHBondContact O-N 3.49Å; V102-V108 HydrophobicContact CG2-CG2 4.04Å; V102-V159 HydrophobicContact CB-CG1 3.86Å; V102-V159 HydrophobicContact CG1-CB 4.14Å; V102-V159 HydrophobicContact CG1-CG1 3.79Å; V102-V159 WeakPolarHBondContact O-CB 3Å; V102-V159 WeakPolarHBondContact O-CG1 3.38Å; V102-V159 PolarHBondContact O-N 2.77Å
103	K	87.3	Confident	86	Confident	34 Å²	34	56.3 Å²	56.3	15%	0.148	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-77	165.8	175.6	-60.8	179.9	-74.8	157	0	111.2	Y101 D105 G106 K107 H109 P156	Y101-K103 HydrophobicContact CE2-CG 4.26Å; K103-D105 VanDerWaalsContact CB-OD1 3.31Å; K103-D105 WeakPolarHBondContact CB-OD1 3.3Å; K103-D105 WeakPolarHBondContact CE-OD1 3.33Å; K103-D105 IonicContact NZ-OD1 3.23Å; K103-D105 IonicContact NZ-OD2 2.74Å; K103-D105 PolarHBondContact NZ-OD2 3.1Å; K103-D105 PolarHBondContact O-N 2.78Å; K103-D105 VanDerWaalsContact O-N 3.09Å; K103-G106 PolarHBondContact O-N 2.77Å; K103-K107 PolarHBondContact N-O 2.73Å; K103-H109 HydrophobicContact CD-CB 3.68Å; K103-H109 HydrophobicContact CG-CB 3.59Å; K103-P156 HydrophobicContact CD-CB 3.61Å; K103-P156 HydrophobicContact CD-CG 3.74Å; K103-P156 HydrophobicContact CG-CB 3.93Å; K103-P156 HydrophobicContact CG-CG 4.47Å
104	A	74.8	Confident	86	Confident	70 Å²	70	53.2 Å²	53.2	58%	0.579	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-24.5	173.4	0	0	0	0	0	114.6	G106 P157	A104-G106 VanDerWaalsContact C-N 3.25Å; A104-G106 PolarHBondContact O-N 3.18Å; A104-P157 PolarHBondContact N-O 3.17Å
105	D	76.8	Confident	84.9	Confident	100 Å²	100	55.8 Å²	55.8	54%	0.535	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-1.8	175.7	69	6	0	0	0	114	K103 K107	K103-D105 VanDerWaalsContact CB-OD1 3.31Å; K103-D105 WeakPolarHBondContact CB-OD1 3.3Å; K103-D105 WeakPolarHBondContact CE-OD1 3.33Å; K103-D105 IonicContact NZ-OD1 3.23Å; K103-D105 IonicContact NZ-OD2 2.74Å; K103-D105 PolarHBondContact NZ-OD2 3.1Å; K103-D105 PolarHBondContact O-N 2.78Å; K103-D105 VanDerWaalsContact O-N 3.09Å; D105-K107 VanDerWaalsContact C-N 3.33Å; D105-K107 PolarHBondContact O-N 3.5Å; D105-K107 WeakPolarHBondContact OD1-CB 3.49Å; D105-K107 PolarHBondContact OD1-N 3.15Å
106	G	74.7	Confident	83.9	Confident	30 Å²	30	52.6 Å²	52.6	31%	0.309	28%	0.28	S	S	.	.	S	Bend	trans	82.9	-2.6	-179	0	0	0	0	0	115	R83 K103 A104	R83-G106 VanDerWaalsContact NH2-CA 3.32Å; R83-G106 PolarHBondContact NH2-O 3.38Å; K103-G106 PolarHBondContact O-N 2.77Å; A104-G106 VanDerWaalsContact C-N 3.25Å; A104-G106 PolarHBondContact O-N 3.18Å
107	K	81.5	Confident	83.5	Confident	144 Å²	144	53.1 Å²	53.1	63%	0.626	29%	0.289	S	S	*	.			trans	-87.9	149.3	174.3	-63.9	-176.2	178.1	-175.3	0	111	K103 D105	K103-K107 PolarHBondContact N-O 2.73Å; D105-K107 VanDerWaalsContact C-N 3.33Å; D105-K107 PolarHBondContact O-N 3.5Å; D105-K107 WeakPolarHBondContact OD1-CB 3.49Å; D105-K107 PolarHBondContact OD1-N 3.15Å
108	V	85.8	Confident	83.1	Confident	89 Å²	89	53 Å²	53	54%	0.539	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	138.6	172.7	-178.5	0	0	0	0	109	Y101 V102	Y101-V108 CarbonylContact O-C 3.31Å; Y101-V108 WeakPolarHBondContact O-CA 3.32Å; V102-V108 HydrophobicContact CG2-CG2 4.04Å
109	H	88.9	Confident	82.7	Confident	56 Å²	56	52.6 Å²	52.6	26%	0.259	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	139.4	172	-170.4	65	0	0	0	109.1	R100 Y101 K103	R100-H109 CarbonylContact C-O 3.49Å; R100-H109 WeakPolarHBondContact CA-O 3.13Å; Y101-H109 AromaticContact CE1-CD2 3.95Å; Y101-H109 AromaticContact CZ-CD2 3.85Å; Y101-H109 PolarHBondContact N-O 3.07Å; Y101-H109 PolarHBondContact O-N 3.21Å; K103-H109 HydrophobicContact CD-CB 3.68Å; K103-H109 HydrophobicContact CG-CB 3.59Å
110	T	92.2	Very high	82.3	Confident	60 Å²	60	55 Å²	55	37%	0.368	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	125	-178.2	-53.5	0	0	0	0	108	L98 R100 N112	L98-T110 HydrophobicContact CD2-CG2 4.33Å; R100-T110 HydrophobicContact CG-CG2 3.76Å; T110-N112 WeakPolarHBondContact CG2-OD1 3.31Å
111	V	91	Very high	81.8	Confident	4 Å²	4	52.5 Å²	52.5	2%	0.024	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	122.2	170.8	-177.1	0	0	0	0	107.4	V99 Y101 L113 V140 V155	V99-V111 HydrophobicContact CB-CB 4.3Å; V99-V111 PolarHBondContact N-O 2.84Å; V99-V111 PolarHBondContact O-N 3.38Å; Y101-V111 HydrophobicContact CE1-CG2 3.95Å; V111-L113 HydrophobicContact CG1-CD2 4.01Å; V111-L113 HydrophobicContact CG1-CG 4.16Å; V111-V140 HydrophobicContact CG1-CB 4.4Å; V111-V155 HydrophobicContact CG2-CB 4.45Å; V111-V155 HydrophobicContact CG2-CG1 3.9Å
112	N	90.5	Very high	81.5	Confident	91 Å²	91	61.1 Å²	61.1	49%	0.487	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	114.2	177.3	-62.1	-16.3	0	0	0	107.9	L98 T110	L98-N112 HydrophobicContact CD2-CB 4.36Å; L98-N112 WeakPolarHBondContact CD2-OD1 3.41Å; T110-N112 WeakPolarHBondContact CG2-OD1 3.31Å
113	L	86.1	Confident	81.6	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	118.5	175.4	-59.4	166.4	0	0	0	107.6	K96 V97 V99 V111 L128 V140 L142 D150	K96-L113 WeakPolarHBondContact CA-O 3.29Å; V97-L113 HydrophobicContact CB-CB 4.43Å; V97-L113 PolarHBondContact N-O 3.42Å; V97-L113 PolarHBondContact O-N 3Å; V99-L113 HydrophobicContact CG2-CD1 4.16Å; V111-L113 HydrophobicContact CG1-CD2 4.01Å; V111-L113 HydrophobicContact CG1-CG 4.16Å; L113-L128 HydrophobicContact CD1-CD1 3.58Å; L113-V140 HydrophobicContact CD1-CG1 3.72Å; L113-L142 HydrophobicContact CB-CB 4.29Å; L113-L142 HydrophobicContact CB-CD2 4.14Å; L113-L142 HydrophobicContact CD1-CB 3.79Å; L113-D150 VanDerWaalsContact CA-OD2 3.29Å; L113-D150 WeakPolarHBondContact CA-OD2 3.39Å; L113-D150 HydrophobicContact CB-CB 4.3Å; L113-D150 HydrophobicContact CD2-CB 4.39Å
114	Q	79.6	Confident	81.7	Confident	111 Å²	111	63.2 Å²	63.2	52%	0.519	35%	0.348	S	S	.	.			trans	-90.9	171.6	-173.1	-64	-172.2	-9.6	0	0	112.2	K96 S116 V149 D150	K96-Q114 HydrophobicContact CG-CG 4.41Å; Q114-S116 PolarHBondContact O-N 2.78Å; Q114-V149 WeakPolarHBondContact O-CG1 3.38Å; Q114-D150 PolarHBondContact N-OD2 2.99Å; Q114-D150 WeakPolarHBondContact O-CB 3.48Å
115	N	59.5	Low	82.4	Confident	139 Å²	139	60.9 Å²	60.9	74%	0.743	33%	0.328	S	S	*	.			trans	74.7	24.7	158.3	-137.7	10.7	0	0	0	116.9	V149	N115-V149 HydrophobicContact CB-CG1 4.06Å; N115-V149 WeakPolarHBondContact O-CG1 3.48Å
116	S	61.1	Low	83.1	Confident	5 Å²	5	56.5 Å²	56.5	4%	0.035	30%	0.304	C	S	.	.			trans	-114.6	99	174.8	66.9	0	0	0	0	110.2	Q114 L118	Q114-S116 PolarHBondContact O-N 2.78Å; S116-L118 VanDerWaalsContact C-N 3.26Å; S116-L118 PolarHBondContact O-N 3.34Å; S116-L118 VanDerWaalsContact OG-CD1 3.25Å; S116-L118 WeakPolarHBondContact OG-CD1 3.37Å; S116-L118 WeakPolarHBondContact OG-CG 3.41Å
117	V	77.3	Confident	83.9	Confident	78 Å²	78	55.1 Å²	55.1	47%	0.473	29%	0.29	S	S	.	.			trans	-67.6	89.7	166.9	-176.7	0	0	0	0	107.3	D120 H124	V117-D120 HydrophobicContact CG1-CB 3.92Å; V117-H124 PolarHBondContact O-CE1 2.84Å; V117-H124 PolarHBondContact O-NE2 2.95Å
118	L	81.9	Confident	84.4	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.01	26%	0.261	C	S	.	.			trans	-107.6	-4.9	-176.9	-66.2	175	0	0	0	113.2	I90 V97 S116 H124 I126 A144	I90-L118 HydrophobicContact CD1-CD1 4.44Å; I90-L118 HydrophobicContact CG2-CB 4.25Å; I90-L118 HydrophobicContact CG2-CD1 4.31Å; V97-L118 HydrophobicContact CG2-CD1 3.63Å; S116-L118 VanDerWaalsContact C-N 3.26Å; S116-L118 PolarHBondContact O-N 3.34Å; S116-L118 VanDerWaalsContact OG-CD1 3.25Å; S116-L118 WeakPolarHBondContact OG-CD1 3.37Å; S116-L118 WeakPolarHBondContact OG-CG 3.41Å; L118-H124 HydrophobicContact CD2-CB 3.8Å; L118-H124 PolarHBondContact O-CD2 2.8Å; L118-I126 HydrophobicContact CD1-CG2 3.88Å; L118-I126 HydrophobicContact CD2-CG2 3.59Å; L118-I126 HydrophobicContact CG-CG2 4.39Å; L118-A144 HydrophobicContact CD2-CB 3.78Å
119	A	84	Confident	84.7	Confident	2 Å²	2	46.6 Å²	46.6	2%	0.017	24%	0.244	C	C	.	.			trans	-126	62.1	-176.2	0	0	0	0	0	109.3	L65 V67 K68 M69	L65-A119 HydrophobicContact CB-CB 3.88Å; L65-A119 HydrophobicContact CD1-CB 4.35Å; V67-A119 VanDerWaalsContact CA-O 3.29Å; V67-A119 WeakPolarHBondContact CA-O 3.39Å; K68-A119 PolarHBondContact N-O 2.94Å; M69-A119 VanDerWaalsContact O-CB 3.24Å; M69-A119 WeakPolarHBondContact O-CB 3.37Å
120	D	84.7	Confident	84.8	Confident	52 Å²	52	44 Å²	44	28%	0.278	23%	0.232	S	C	.	.	S	Bend	trans	-113.9	11.9	179.8	67.6	-8.1	0	0	0	112.4	V117 R122 H124	V117-D120 HydrophobicContact CG1-CB 3.92Å; D120-R122 PolarHBondContact O-N 2.81Å; D120-R122 WeakPolarHBondContact OD1-CA 3.42Å; D120-R122 WeakPolarHBondContact OD1-CB 3.42Å; D120-R122 PolarHBondContact OD1-N 3.47Å; D120-R122 WeakPolarHBondContact OD2-CD 3.4Å; D120-H124 IonicContact OD1-CD2 3.7Å; D120-H124 IonicContact OD1-CE1 2.71Å; D120-H124 IonicContact OD1-NE2 3.25Å; D120-H124 PolarHBondContact OD1-NE2 2.91Å; D120-H124 IonicContact OD2-CE1 3.5Å; D120-H124 IonicContact OD2-NE2 2.89Å; D120-H124 PolarHBondContact OD2-NE2 2.92Å
121	G	81.1	Confident	84.5	Confident	35 Å²	35	41.2 Å²	41.2	36%	0.361	22%	0.215	S	C	.	.	S	Bend	trans	80.4	-8.7	-173.9	0	0	0	0	0	115	L65	L65-G121 WeakPolarHBondContact O-CA 3.5Å; L65-G121 PolarHBondContact O-N 3.11Å
122	R	86.4	Confident	84	Confident	181 Å²	181	41.4 Å²	41.4	68%	0.683	22%	0.218	S	C	*	.	S	Bend	trans	-91.7	166.6	178.2	-55.2	-176.5	179.1	-174.5	2.8	111.1	D120	D120-R122 PolarHBondContact O-N 2.81Å; D120-R122 WeakPolarHBondContact OD1-CA 3.42Å; D120-R122 WeakPolarHBondContact OD1-CB 3.42Å; D120-R122 PolarHBondContact OD1-N 3.47Å; D120-R122 WeakPolarHBondContact OD2-CD 3.4Å
123	T	88.3	Confident	83.5	Confident	66 Å²	66	38.3 Å²	38.3	41%	0.405	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	120.4	178.9	-53.1	0	0	0	0	108.9	T62 I63	T62-T123 HydrophobicContact CG2-CG2 3.5Å; I63-T123 CarbonylContact O-C 3.54Å; I63-T123 WeakPolarHBondContact O-CA 3.27Å
124	H	89.9	Confident	82.7	Confident	13 Å²	13	43.8 Å²	43.8	6%	0.06	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	145.9	179.3	-63.6	-79	0	0	0	111.5	T62 I63 V117 L118 D120 D145	T62-H124 WeakPolarHBondContact CA-O 3.49Å; I63-H124 PolarHBondContact N-O 3.15Å; I63-H124 PolarHBondContact O-N 2.92Å; V117-H124 PolarHBondContact O-CE1 2.84Å; V117-H124 PolarHBondContact O-NE2 2.95Å; L118-H124 HydrophobicContact CD2-CB 3.8Å; L118-H124 PolarHBondContact O-CD2 2.8Å; D120-H124 IonicContact OD1-CD2 3.7Å; D120-H124 IonicContact OD1-CE1 2.71Å; D120-H124 IonicContact OD1-NE2 3.25Å; D120-H124 PolarHBondContact OD1-NE2 2.91Å; D120-H124 IonicContact OD2-CE1 3.5Å; D120-H124 IonicContact OD2-NE2 2.89Å; D120-H124 PolarHBondContact OD2-NE2 2.92Å; H124-D145 WeakPolarHBondContact CA-OD1 3.12Å; H124-D145 IonicContact CE1-OD2 2.65Å; H124-D145 IonicContact CG-OD2 3.96Å; H124-D145 IonicContact ND1-OD1 3.53Å; H124-D145 IonicContact ND1-OD2 3.96Å; H124-D145 PolarHBondContact ND1-OD2 2.96Å
125	S	89.4	Confident	82.4	Confident	21 Å²	21	47.3 Å²	47.3	15%	0.147	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	118.3	171.4	-68.6	0	0	0	0	110.3	A144 D145	S125-A144 CarbonylContact O-C 3.58Å; S125-A144 WeakPolarHBondContact O-CA 3.39Å; S125-D145 PolarHBondContact N-OD1 3.16Å; S125-D145 PolarHBondContact O-N 3.44Å
126	I	91.4	Very high	82.8	Confident	8 Å²	8	45.5 Å²	45.5	4%	0.041	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	139.1	-177.6	59.7	167.9	0	0	0	111.9	V60 S61 I63 L73 I90 L118 Y143 A144	V60-I126 WeakPolarHBondContact CA-O 3.3Å; S61-I126 PolarHBondContact N-O 3.3Å; S61-I126 VanDerWaalsContact O-CG1 3.29Å; S61-I126 WeakPolarHBondContact O-CG1 3.23Å; S61-I126 PolarHBondContact O-N 3.07Å; I63-I126 HydrophobicContact CD1-CD1 3.85Å; I63-I126 HydrophobicContact CD1-CG1 4.43Å; I63-I126 HydrophobicContact CD1-CG2 4.45Å; I63-I126 HydrophobicContact CG1-CD1 4.48Å; L73-I126 HydrophobicContact CD2-CD1 3.35Å; I90-I126 HydrophobicContact CD1-CD1 3.9Å; L118-I126 HydrophobicContact CD1-CG2 3.88Å; L118-I126 HydrophobicContact CD2-CG2 3.59Å; L118-I126 HydrophobicContact CG-CG2 4.39Å; I126-Y143 CarbonylContact C-O 3.43Å; I126-Y143 WeakPolarHBondContact CA-O 3.44Å; I126-A144 HydrophobicContact CG2-CB 4.47Å
127	I	91.7	Very high	83.5	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	111.2	175.4	-49.5	175.6	0	0	0	107.9	Y58 V59 V60 Y143 A198 F206	Y58-I127 HydrophobicContact CD1-CG2 4.2Å; V59-I127 CarbonylContact O-C 3.52Å; V59-I127 WeakPolarHBondContact O-CA 2.97Å; V60-I127 HydrophobicContact CG1-CG1 4.24Å; V60-I127 HydrophobicContact CG2-CG2 4.32Å; I127-Y143 PolarHBondContact N-O 3.47Å; I127-Y143 PolarHBondContact O-N 3.19Å; I127-A198 HydrophobicContact CG2-CB 4.45Å; I127-F206 HydrophobicContact CD1-CE2 3.74Å; I127-F206 HydrophobicContact CD1-CZ 3.97Å
128	L	92.1	Very high	83.9	Confident	6 Å²	6	46.2 Å²	46.2	3%	0.031	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	116.9	171.9	-175.2	75.8	0	0	0	109.1	Y58 V59 V88 V99 L113 L130 V140 E141 L142	Y58-L128 CarbonylContact C-O 3.53Å; Y58-L128 WeakPolarHBondContact CA-O 3.05Å; V59-L128 HydrophobicContact CB-CB 4.18Å; V59-L128 HydrophobicContact CG2-CD2 4.49Å; V59-L128 PolarHBondContact N-O 3.35Å; V59-L128 PolarHBondContact O-N 3.35Å; V88-L128 HydrophobicContact CG1-CD2 4.11Å; V88-L128 HydrophobicContact CG2-CD2 3.6Å; V99-L128 HydrophobicContact CG1-CD2 4.38Å; V99-L128 HydrophobicContact CG2-CD1 3.95Å; V99-L128 HydrophobicContact CG2-CD2 3.63Å; V99-L128 HydrophobicContact CG2-CG 4.44Å; L113-L128 HydrophobicContact CD1-CD1 3.58Å; L128-L130 HydrophobicContact CD2-CD2 4.48Å; L128-V140 HydrophobicContact CD1-CG1 3.7Å; L128-V140 HydrophobicContact CG-CG1 4.38Å; L128-E141 CarbonylContact C-O 3.53Å; L128-E141 WeakPolarHBondContact CA-O 3.49Å; L128-L142 HydrophobicContact CD1-CB 4.41Å; L128-L142 HydrophobicContact CD1-CD1 4.36Å
129	R	92	Very high	84.2	Confident	47 Å²	47	48.4 Å²	48.4	18%	0.177	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	121.8	175.4	177.8	-170.9	-175.1	-159.5	-3.7	110.1	D56 Y58 V140 E141	D56-R129 IonicContact OD2-CZ 2.77Å; D56-R129 VanDerWaalsContact OD2-CZ 3.23Å; D56-R129 IonicContact OD2-NE 3.66Å; D56-R129 PolarHBondContact OD2-NE 3.33Å; D56-R129 IonicContact OD2-NH2 3.9Å; D56-R129 PolarHBondContact OD2-NH2 3.48Å; Y58-R129 HydrophobicContact CD1-CB 3.72Å; Y58-R129 HydrophobicContact CD1-CG 3.83Å; Y58-R129 HydrophobicContact CE1-CB 3.7Å; Y58-R129 HydrophobicContact CE1-CG 3.37Å; R129-V140 WeakPolarHBondContact O-CA 3.25Å; R129-E141 HydrophobicContact CB-CB 4.26Å; R129-E141 WeakPolarHBondContact CD-OE2 3.39Å; R129-E141 IonicContact CZ-OE2 3.66Å; R129-E141 PolarHBondContact N-O 3.27Å; R129-E141 IonicContact NE-OE2 3.77Å; R129-E141 IonicContact NH1-OE1 3.36Å; R129-E141 PolarHBondContact NH1-OE1 3.3Å; R129-E141 IonicContact NH1-OE2 2.74Å; R129-E141 PolarHBondContact NH1-OE2 2.97Å; R129-E141 PolarHBondContact O-N 2.93Å
130	L	89.9	Confident	84.5	Confident	3 Å²	3	48.3 Å²	48.3	2%	0.016	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	97.2	165.7	-58.2	177	0	0	0	107.6	D56 V57 L86 L128 M138 V140	D56-L130 WeakPolarHBondContact CA-O 3.48Å; V57-L130 PolarHBondContact N-O 3.42Å; V57-L130 PolarHBondContact O-N 3.38Å; L86-L130 HydrophobicContact CD1-CD1 4.46Å; L86-L130 HydrophobicContact CD2-CD1 3.86Å; L128-L130 HydrophobicContact CD2-CD2 4.48Å; L130-M138 HydrophobicContact CD2-CE 4.49Å; L130-V140 HydrophobicContact CD2-CB 4.41Å; L130-V140 HydrophobicContact CD2-CG1 3.99Å; L130-V140 HydrophobicContact CD2-CG2 3.77Å
131	G	86.4	Confident	84.9	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	156.7	-175.6	0	0	0	0	0	112.8	S55 D56 M138 Q139	S55-G131 CarbonylContact O-C 3.56Å; D56-G131 WeakPolarHBondContact OD1-CA 3.45Å; G131-M138 WeakPolarHBondContact O-CG 3.39Å; G131-Q139 PolarHBondContact N-O 3.37Å; G131-Q139 WeakPolarHBondContact O-CG 3.46Å; G131-Q139 PolarHBondContact O-N 2.9Å
132	G	81.1	Confident	85.4	Confident	9 Å²	9	45.2 Å²	45.2	9%	0.093	22%	0.218	C	C	.	.			trans	73.1	27	177.6	0	0	0	0	0	114.6	S55 Q134 R135	S55-G132 PolarHBondContact O-N 2.82Å; G132-Q134 PolarHBondContact O-N 2.82Å; G132-R135 PolarHBondContact O-N 3.44Å
133	L	79.4	Confident	85.6	Confident	25 Å²	25	38 Å²	38	13%	0.131	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-22.2	-179.8	-71.6	162.5	0	0	0	114.4	L51 S55 V57 M138	L51-L133 HydrophobicContact CD2-CD1 3.91Å; L51-L133 HydrophobicContact CD2-CD2 4Å; S55-L133 PolarHBondContact O-N 2.77Å; V57-L133 HydrophobicContact CB-CD1 4.09Å; V57-L133 HydrophobicContact CG2-CD1 3.63Å; L133-M138 HydrophobicContact CD2-CG 4.48Å; L133-M138 HydrophobicContact CD2-SD 3.63Å
134	Q	70.6	Confident	85.6	Confident	115 Å²	115	35.4 Å²	35.4	54%	0.537	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-3.3	177.9	-65	-64.1	-55.8	0	0	114	S52 G132	S52-Q134 PolarHBondContact O-NE2 2.82Å; G132-Q134 PolarHBondContact O-N 2.82Å
135	R	72.2	Confident	85.4	Confident	186 Å²	186	38.3 Å²	38.3	70%	0.702	19%	0.192	S	C	*	.	S	Bend	trans	-98.8	162.3	-178.3	-63.3	-177.4	178.9	-178.3	0.4	109.7	G132 N137	G132-R135 PolarHBondContact O-N 3.44Å; R135-N137 PolarHBondContact O-N 3.13Å
136	S	68.1	Low	85.1	Confident	101 Å²	101	39.1 Å²	39.1	71%	0.706	20%	0.197	S	C	*	.	S	Bend	trans	-61.3	-25.6	177.9	52.6	0	0	0	0	113.1
137	N	74.9	Confident	84.7	Confident	95 Å²	95	48.2 Å²	48.2	51%	0.508	23%	0.231	S	C	.	.	S	Bend	trans	-125.8	127.8	177	-65.2	-3	0	0	0	108.8	R135	R135-N137 PolarHBondContact O-N 3.13Å
138	M	86	Confident	84.4	Confident	3 Å²	3	52.4 Å²	52.4	2%	0.015	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	160.5	175	-176.6	-177.1	76.3	0	0	109.3	Y101 L130 G131 L133 V140 G154 V155	Y101-M138 HydrophobicContact CE1-CE 3.96Å; Y101-M138 HydrophobicContact CE2-CE 4.17Å; L130-M138 HydrophobicContact CD2-CE 4.49Å; G131-M138 WeakPolarHBondContact O-CG 3.39Å; L133-M138 HydrophobicContact CD2-CG 4.48Å; L133-M138 HydrophobicContact CD2-SD 3.63Å; M138-V140 HydrophobicContact CE-CG2 3.97Å; M138-G154 PolarHBondContact O-N 3.38Å; M138-V155 HydrophobicContact CB-CG2 3.9Å; M138-V155 HydrophobicContact CE-CG2 3.66Å; M138-V155 HydrophobicContact CG-CG2 4.27Å; M138-V155 PolarHBondContact N-O 3.01Å; M138-V155 VanDerWaalsContact O-CG2 3.25Å; M138-V155 WeakPolarHBondContact O-CG2 3.45Å; M138-V155 PolarHBondContact O-N 2.81Å
139	Q	88.3	Confident	84	Confident	47 Å²	47	54 Å²	54	22%	0.22	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	142.3	174	59	177.6	56.2	0	0	110	G131 E141 S152	G131-Q139 PolarHBondContact N-O 3.37Å; G131-Q139 WeakPolarHBondContact O-CG 3.46Å; G131-Q139 PolarHBondContact O-N 2.9Å; Q139-E141 PolarHBondContact NE2-OE1 3.29Å; Q139-S152 WeakPolarHBondContact CA-O 3.15Å
140	V	91.6	Very high	83.8	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	121.6	177.7	-175.2	0	0	0	0	108.4	V99 V111 L113 L128 R129 L130 M138 S151 S152 V155	V99-V140 HydrophobicContact CG2-CG1 4.36Å; V111-V140 HydrophobicContact CG1-CB 4.4Å; L113-V140 HydrophobicContact CD1-CG1 3.72Å; L128-V140 HydrophobicContact CD1-CG1 3.7Å; L128-V140 HydrophobicContact CG-CG1 4.38Å; R129-V140 WeakPolarHBondContact O-CA 3.25Å; L130-V140 HydrophobicContact CD2-CB 4.41Å; L130-V140 HydrophobicContact CD2-CG1 3.99Å; L130-V140 HydrophobicContact CD2-CG2 3.77Å; M138-V140 HydrophobicContact CE-CG2 3.97Å; V140-S151 CarbonylContact O-C 3.56Å; V140-S151 VanDerWaalsContact O-CA 3.31Å; V140-S151 WeakPolarHBondContact O-CA 3.3Å; V140-S152 PolarHBondContact N-O 2.99Å; V140-S152 PolarHBondContact O-N 3.26Å; V140-V155 HydrophobicContact CG2-CG2 3.84Å
141	E	92.2	Very high	83.8	Confident	20 Å²	20	56.1 Å²	56.1	9%	0.093	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	132.1	179.7	-67.4	165.4	-175	0	0	109.4	L128 R129 Q139 Y143 L148	L128-E141 CarbonylContact C-O 3.53Å; L128-E141 WeakPolarHBondContact CA-O 3.49Å; R129-E141 HydrophobicContact CB-CB 4.26Å; R129-E141 WeakPolarHBondContact CD-OE2 3.39Å; R129-E141 IonicContact CZ-OE2 3.66Å; R129-E141 PolarHBondContact N-O 3.27Å; R129-E141 IonicContact NE-OE2 3.77Å; R129-E141 IonicContact NH1-OE1 3.36Å; R129-E141 PolarHBondContact NH1-OE1 3.3Å; R129-E141 IonicContact NH1-OE2 2.74Å; R129-E141 PolarHBondContact NH1-OE2 2.97Å; R129-E141 PolarHBondContact O-N 2.93Å; Q139-E141 PolarHBondContact NE2-OE1 3.29Å; E141-Y143 HydrophobicContact CB-CE2 3.83Å; E141-Y143 PolarHBondContact OE2-OH 2.85Å; E141-L148 HydrophobicContact CB-CD1 3.92Å; E141-L148 HydrophobicContact CG-CD1 4.32Å
142	L	92	Very high	84	Confident	2 Å²	2	58 Å²	58	1%	0.01	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	123.1	174.3	177.1	68.4	0	0	0	109.8	V97 L113 L128 V149 D150	V97-L142 HydrophobicContact CB-CD2 3.9Å; V97-L142 HydrophobicContact CG2-CD1 4.33Å; V97-L142 HydrophobicContact CG2-CD2 3.57Å; L113-L142 HydrophobicContact CB-CB 4.29Å; L113-L142 HydrophobicContact CB-CD2 4.14Å; L113-L142 HydrophobicContact CD1-CB 3.79Å; L128-L142 HydrophobicContact CD1-CB 4.41Å; L128-L142 HydrophobicContact CD1-CD1 4.36Å; L142-V149 PolarHBondContact O-N 2.89Å; L142-D150 PolarHBondContact N-O 3.27Å; L142-D150 PolarHBondContact O-N 2.8Å
143	Y	89.1	Confident	84.3	Confident	31 Å²	31	64.6 Å²	64.6	12%	0.122	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	132.8	167.6	-56.4	-104.8	0	0	0	109.3	I126 I127 E141 R147 L148 V195 F206	I126-Y143 CarbonylContact C-O 3.43Å; I126-Y143 WeakPolarHBondContact CA-O 3.44Å; I127-Y143 PolarHBondContact N-O 3.47Å; I127-Y143 PolarHBondContact O-N 3.19Å; E141-Y143 HydrophobicContact CB-CE2 3.83Å; E141-Y143 PolarHBondContact OE2-OH 2.85Å; Y143-R147 CarbonylContact C-O 3.55Å; Y143-R147 WeakPolarHBondContact CA-O 3.31Å; Y143-R147 WeakPolarHBondContact CB-O 3.22Å; Y143-L148 HydrophobicContact CD1-CB 3.87Å; Y143-L148 HydrophobicContact CD1-CD1 4.19Å; Y143-L148 HydrophobicContact CD2-CD1 4.26Å; Y143-L148 HydrophobicContact CE1-CB 3.67Å; Y143-L148 HydrophobicContact CE1-CD1 3.85Å; Y143-L148 HydrophobicContact CE1-CG 4.32Å; Y143-L148 HydrophobicContact CE2-CD1 3.92Å; Y143-L148 HydrophobicContact CG-CD1 4.38Å; Y143-V195 HydrophobicContact CE1-CG1 4.24Å; Y143-V195 HydrophobicContact CE2-CG1 4.17Å; Y143-V195 HydrophobicContact CE2-CG2 4.44Å; Y143-F206 AromaticContact CD1-CE1 3.95Å; Y143-F206 HydrophobicContact CD1-CE1 3.95Å; Y143-F206 HydrophobicContact CD1-CZ 4.13Å; Y143-F206 HydrophobicContact CE1-CE1 4.38Å; Y143-F206 HydrophobicContact CG-CZ 4.5Å
144	A	88.6	Confident	84.3	Confident	10 Å²	10	65.5 Å²	65.5	8%	0.083	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	136.1	169.7	0	0	0	0	0	108.4	L118 S125 I126 C146 R147 V149	L118-A144 HydrophobicContact CD2-CB 3.78Å; S125-A144 CarbonylContact O-C 3.58Å; S125-A144 WeakPolarHBondContact O-CA 3.39Å; I126-A144 HydrophobicContact CG2-CB 4.47Å; A144-C146 PolarHBondContact O-N 2.99Å; A144-C146 VanDerWaalsContact O-N 3.09Å; A144-R147 PolarHBondContact N-O 2.92Å; A144-R147 PolarHBondContact O-N 3.33Å; A144-V149 HydrophobicContact CB-CG2 3.55Å
145	D	86.5	Confident	85.1	Confident	74 Å²	74	60.3 Å²	60.3	40%	0.396	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.4	45.9	179.7	-55.5	-35.2	0	0	0	112.8	H124 S125 R147	H124-D145 WeakPolarHBondContact CA-OD1 3.12Å; H124-D145 IonicContact CE1-OD2 2.65Å; H124-D145 IonicContact CG-OD2 3.96Å; H124-D145 IonicContact ND1-OD1 3.53Å; H124-D145 IonicContact ND1-OD2 3.96Å; H124-D145 PolarHBondContact ND1-OD2 2.96Å; S125-D145 PolarHBondContact N-OD1 3.16Å; S125-D145 PolarHBondContact O-N 3.44Å; D145-R147 PolarHBondContact O-N 3.01Å
146	C	82.3	Confident	85.7	Confident	38 Å²	38	53.4 Å²	53.4	26%	0.257	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	66	17.3	176.8	-26.4	0	0	0	0	115.1	A144 C204 F206	A144-C146 PolarHBondContact O-N 2.99Å; A144-C146 VanDerWaalsContact O-N 3.09Å; C146-C204 VanDerWaalsContact CA-SG 3.52Å; C146-C204 HydrophobicContact CB-CB 3.72Å; C146-C204 WeakPolarHBondContact CB-SG 3.26Å; C146-C204 PolarHBondContact N-SG 2.64Å; C146-C204 VanDerWaalsContact N-SG 3.39Å; C146-C204 WeakPolarHBondContact SG-CA 3.31Å; C146-C204 WeakPolarHBondContact SG-CB 3.4Å; C146-C204 CovalentContact SG-SG 2.03Å; C146-C204 PolarHBondContact SG-SG 2.61Å; C146-F206 HydrophobicContact CB-CE1 4.16Å; C146-F206 HydrophobicContact CB-CZ 4.2Å; C146-F206 WeakPolarHBondContact O-CE1 3.45Å
147	R	82.7	Confident	86.4	Confident	199 Å²	199	51.1 Å²	51.1	75%	0.751	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.8	142.2	173.1	-66.1	-176.6	176.7	179.9	0.4	110.6	Y143 A144 D145 V149	Y143-R147 CarbonylContact C-O 3.55Å; Y143-R147 WeakPolarHBondContact CA-O 3.31Å; Y143-R147 WeakPolarHBondContact CB-O 3.22Å; A144-R147 PolarHBondContact N-O 2.92Å; A144-R147 PolarHBondContact O-N 3.33Å; D145-R147 PolarHBondContact O-N 3.01Å; R147-V149 PolarHBondContact O-N 2.96Å
148	L	86.6	Confident	86.9	Confident	90 Å²	90	47.8 Å²	47.8	47%	0.471	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	117.7	171.5	179.7	69	0	0	0	107.6	E141 Y143	E141-L148 HydrophobicContact CB-CD1 3.92Å; E141-L148 HydrophobicContact CG-CD1 4.32Å; Y143-L148 HydrophobicContact CD1-CB 3.87Å; Y143-L148 HydrophobicContact CD1-CD1 4.19Å; Y143-L148 HydrophobicContact CD2-CD1 4.26Å; Y143-L148 HydrophobicContact CE1-CB 3.67Å; Y143-L148 HydrophobicContact CE1-CD1 3.85Å; Y143-L148 HydrophobicContact CE1-CG 4.32Å; Y143-L148 HydrophobicContact CE2-CD1 3.92Å; Y143-L148 HydrophobicContact CG-CD1 4.38Å
149	V	84.4	Confident	86.9	Confident	40 Å²	40	49.1 Å²	49.1	24%	0.242	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	-49.4	-179.6	-178	0	0	0	0	110.4	Q114 N115 L142 A144 R147	Q114-V149 WeakPolarHBondContact O-CG1 3.38Å; N115-V149 HydrophobicContact CB-CG1 4.06Å; N115-V149 WeakPolarHBondContact O-CG1 3.48Å; L142-V149 PolarHBondContact O-N 2.89Å; A144-V149 HydrophobicContact CB-CG2 3.55Å; R147-V149 PolarHBondContact O-N 2.96Å
150	D	87.2	Confident	86.5	Confident	48 Å²	48	51.9 Å²	51.9	26%	0.257	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	157.8	-178	-164.4	10.5	0	0	0	111.5	L113 Q114 L142	L113-D150 VanDerWaalsContact CA-OD2 3.29Å; L113-D150 WeakPolarHBondContact CA-OD2 3.39Å; L113-D150 HydrophobicContact CB-CB 4.3Å; L113-D150 HydrophobicContact CD2-CB 4.39Å; Q114-D150 PolarHBondContact N-OD2 2.99Å; Q114-D150 WeakPolarHBondContact O-CB 3.48Å; L142-D150 PolarHBondContact N-O 3.27Å; L142-D150 PolarHBondContact O-N 2.8Å
151	S	90.6	Very high	86.1	Confident	46 Å²	46	52.5 Å²	52.5	32%	0.322	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	137.6	178.2	70.3	0	0	0	0	112.7	V140	V140-S151 CarbonylContact O-C 3.56Å; V140-S151 VanDerWaalsContact O-CA 3.31Å; V140-S151 WeakPolarHBondContact O-CA 3.3Å
152	S	88.8	Confident	85.5	Confident	38 Å²	38	53.1 Å²	53.1	27%	0.266	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	117.2	174.1	-169.1	0	0	0	0	110.2	Q139 V140 V155	Q139-S152 WeakPolarHBondContact CA-O 3.15Å; V140-S152 PolarHBondContact N-O 2.99Å; V140-S152 PolarHBondContact O-N 3.26Å; S152-V155 WeakPolarHBondContact OG-CG1 3.31Å
153	Q	87.9	Confident	84.3	Confident	148 Å²	148	65.1 Å²	65.1	69%	0.692	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	152.5	177.7	-61.6	-172.8	8.8	0	0	110.7
154	G	80.5	Confident	83.9	Confident	45 Å²	45	69.4 Å²	69.4	46%	0.464	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	85.3	11.7	174.5	0	0	0	0	0	114.4	M138	M138-G154 PolarHBondContact O-N 3.38Å
155	V	86	Confident	83.2	Confident	6 Å²	6	69.4 Å²	69.4	4%	0.036	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	144.9	-174.5	-59.1	0	0	0	0	111.3	Y101 V111 M138 V140 S152	Y101-V155 WeakPolarHBondContact OH-CB 3.39Å; V111-V155 HydrophobicContact CG2-CB 4.45Å; V111-V155 HydrophobicContact CG2-CG1 3.9Å; M138-V155 HydrophobicContact CB-CG2 3.9Å; M138-V155 HydrophobicContact CE-CG2 3.66Å; M138-V155 HydrophobicContact CG-CG2 4.27Å; M138-V155 PolarHBondContact N-O 3.01Å; M138-V155 VanDerWaalsContact O-CG2 3.25Å; M138-V155 WeakPolarHBondContact O-CG2 3.45Å; M138-V155 PolarHBondContact O-N 2.81Å; V140-V155 HydrophobicContact CG2-CG2 3.84Å; S152-V155 WeakPolarHBondContact OG-CG1 3.31Å
156	P	86.3	Confident	82.9	Confident	41 Å²	41	71 Å²	71	27%	0.266	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-61.7	152.3	-176.5	-24.8	36.1	0	0	0	113	Y101 K103	Y101-P156 VanDerWaalsContact CE2-O 3.31Å; Y101-P156 WeakPolarHBondContact CE2-O 3.33Å; Y101-P156 PolarHBondContact OH-O 3.48Å; K103-P156 HydrophobicContact CD-CB 3.61Å; K103-P156 HydrophobicContact CD-CG 3.74Å; K103-P156 HydrophobicContact CG-CB 3.93Å; K103-P156 HydrophobicContact CG-CG 4.47Å
157	P	82.8	Confident	82.9	Confident	53 Å²	53	72 Å²	72	34%	0.344	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-67.1	142.1	-178.4	27.2	-34.3	0	0	0	112.4	A104	A104-P157 PolarHBondContact N-O 3.17Å
158	L	83.9	Confident	83	Confident	25 Å²	25	62.6 Å²	62.6	13%	0.131	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-65.7	141.3	175.9	-168.5	115.6	0	0	0	110.8	L51 L86 Y101	L51-L158 HydrophobicContact CD1-CD2 4.04Å; L86-L158 HydrophobicContact CB-CD1 4.41Å; L86-L158 HydrophobicContact CD1-CD1 4.3Å; Y101-L158 HydrophobicContact CD2-CB 4.19Å; Y101-L158 HydrophobicContact CD2-CD1 3.68Å; Y101-L158 HydrophobicContact CD2-CG 4.18Å; Y101-L158 HydrophobicContact CE2-CB 4.44Å; Y101-L158 HydrophobicContact CG-CD1 3.77Å
159	V	85.9	Confident	83.1	Confident	30 Å²	30	61.4 Å²	61.4	18%	0.182	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-63.3	135.1	173.5	72.5	0	0	0	0	110	Y85 V102 L161	Y85-V159 HydrophobicContact CD1-CG1 3.72Å; Y85-V159 HydrophobicContact CE1-CG1 4.18Å; V102-V159 HydrophobicContact CB-CG1 3.86Å; V102-V159 HydrophobicContact CG1-CB 4.14Å; V102-V159 HydrophobicContact CG1-CG1 3.79Å; V102-V159 WeakPolarHBondContact O-CB 3Å; V102-V159 WeakPolarHBondContact O-CG1 3.38Å; V102-V159 PolarHBondContact O-N 2.77Å; V159-L161 PolarHBondContact O-N 3.41Å
160	P	80.6	Confident	83.3	Confident	105 Å²	105	60.1 Å²	60.1	68%	0.682	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-61.4	136.7	173.4	24.5	-33.1	0	0	0	110
161	L	82.7	Confident	83.5	Confident	14 Å²	14	62.2 Å²	62.2	7%	0.073	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-62.8	150.8	175.6	-67.2	176.1	0	0	0	110.7	L47 L51 L76 Y85 V159	L47-L161 HydrophobicContact CD2-CD1 3.55Å; L51-L161 HydrophobicContact CD1-CD1 3.86Å; L51-L161 HydrophobicContact CD1-CG 4.24Å; L76-L161 HydrophobicContact CD1-CD1 4.25Å; L76-L161 HydrophobicContact CD1-CD2 4.47Å; Y85-L161 HydrophobicContact CD1-CD2 3.99Å; Y85-L161 HydrophobicContact CD2-CD2 3.99Å; Y85-L161 HydrophobicContact CG-CD2 3.62Å; V159-L161 PolarHBondContact O-N 3.41Å
162	P	79.1	Confident	83.5	Confident	32 Å²	32	63 Å²	63	21%	0.208	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-52.4	146	175.5	-25.3	33	0	0	0	112.7	Y85 E164 V168	Y85-P162 HydrophobicContact CE1-CG 4.46Å; Y85-P162 HydrophobicContact CE2-CG 4.33Å; Y85-P162 VanDerWaalsContact OH-CG 3.22Å; Y85-P162 WeakPolarHBondContact OH-CG 3.05Å; P162-E164 PolarHBondContact O-N 3.45Å; P162-V168 HydrophobicContact CG-CG2 4.05Å
163	R	68	Low	83.4	Confident	254 Å²	254	61.4 Å²	61.4	96%	0.958	31%	0.314	S	S	*	.	S	Bend	trans	-65.5	-23.7	176.7	-69.8	-174.6	176.5	-179.9	-0.4	112.9
164	E	80.4	Confident	83.4	Confident	122 Å²	122	58 Å²	58	57%	0.57	30%	0.299	S	S	*	.			trans	-93.1	95	177.3	-68.2	169.9	-160.3	0	0	108.8	P162 D166 M167	P162-E164 PolarHBondContact O-N 3.45Å; E164-D166 PolarHBondContact O-N 2.74Å; E164-D166 VanDerWaalsContact O-N 3.12Å; E164-M167 HydrophobicContact CB-CG 4.11Å; E164-M167 HydrophobicContact CB-SD 4.27Å; E164-M167 WeakPolarHBondContact O-CB 3.32Å; E164-M167 PolarHBondContact O-N 3.44Å; E164-M167 WeakPolarHBondContact OE2-CE 2.97Å
165	A	73.8	Confident	83.6	Confident	10 Å²	10	63.6 Å²	63.6	8%	0.083	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-59.6	-23.2	-176.4	0	0	0	0	0	113.7	V41 V44 E45 M167 V168	V41-A165 HydrophobicContact CG1-CB 4Å; V44-A165 HydrophobicContact CB-CB 4.15Å; V44-A165 HydrophobicContact CG1-CB 3.72Å; E45-A165 HydrophobicContact CG-CB 3.46Å; E45-A165 VanDerWaalsContact CG-CB 3.46Å; A165-M167 PolarHBondContact O-N 3.39Å; A165-V168 PolarHBondContact O-N 2.73Å
166	D	79.5	Confident	83.6	Confident	106 Å²	106	66.5 Å²	66.5	57%	0.567	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-62.1	-23.1	175	-73.2	-31.4	0	0	0	113.6	V41 K79 E164	V41-D166 WeakPolarHBondContact CG1-OD1 3.43Å; V41-D166 WeakPolarHBondContact CG2-OD1 3.16Å; K79-D166 WeakPolarHBondContact CD-O 3.48Å; K79-D166 WeakPolarHBondContact CE-O 3.31Å; K79-D166 PolarHBondContact NZ-O 3.3Å; E164-D166 PolarHBondContact O-N 2.74Å; E164-D166 VanDerWaalsContact O-N 3.12Å
167	M	82.3	Confident	83.6	Confident	59 Å²	59	64.5 Å²	64.5	29%	0.291	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-80.9	-13	-178.9	-66	-168.9	161.5	0	0	114	K79 Q80 E164 A165	K79-M167 PolarHBondContact N-O 2.81Å; Q80-M167 VanDerWaalsContact NE2-CE 3.29Å; E164-M167 HydrophobicContact CB-CG 4.11Å; E164-M167 HydrophobicContact CB-SD 4.27Å; E164-M167 WeakPolarHBondContact O-CB 3.32Å; E164-M167 PolarHBondContact O-N 3.44Å; E164-M167 WeakPolarHBondContact OE2-CE 2.97Å; A165-M167 PolarHBondContact O-N 3.39Å
168	V	85.3	Confident	83.7	Confident	2 Å²	2	65 Å²	65	1%	0.012	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	136.8	-179.9	-174.1	0	0	0	0	109.8	V44 L76 Y77 Y85 P162 A165	V44-V168 HydrophobicContact CG1-CB 3.86Å; V44-V168 HydrophobicContact CG1-CG1 4.37Å; V44-V168 HydrophobicContact CG1-CG2 4.33Å; V44-V168 HydrophobicContact CG2-CB 4.26Å; V44-V168 HydrophobicContact CG2-CG1 4.32Å; L76-V168 HydrophobicContact CB-CG1 4.31Å; Y77-V168 CarbonylContact O-C 3.59Å; Y77-V168 WeakPolarHBondContact O-CA 2.96Å; Y85-V168 HydrophobicContact CD2-CG1 4.32Å; Y85-V168 HydrophobicContact CD2-CG2 4.4Å; Y85-V168 HydrophobicContact CE2-CG2 4.05Å; P162-V168 HydrophobicContact CG-CG2 4.05Å; A165-V168 PolarHBondContact O-N 2.73Å
169	E	88.5	Confident	83.8	Confident	66 Å²	66	74 Å²	74	31%	0.308	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	134.5	176.3	-177.5	176.6	-133.9	0	0	110.1	L76 Y77 K79 R171	L76-E169 WeakPolarHBondContact CA-O 3.29Å; Y77-E169 PolarHBondContact N-O 3.42Å; Y77-E169 PolarHBondContact O-N 2.04Å; K79-E169 HydrophobicContact CG-CB 3.87Å; E169-R171 HydrophobicContact CG-CG 4.26Å; E169-R171 IonicContact OE2-CZ 3.83Å; E169-R171 IonicContact OE2-NE 3.32Å; E169-R171 PolarHBondContact OE2-NE 3.03Å; E169-R171 IonicContact OE2-NH2 3.22Å; E169-R171 PolarHBondContact OE2-NH2 2.87Å
170	I	89.9	Confident	83.6	Confident	13 Å²	13	75.3 Å²	75.3	7%	0.067	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	125.3	172.2	-56.9	175.5	0	0	0	107.9	V31 L34 A43 V44 F74 L76	V31-I170 HydrophobicContact CG1-CG2 3.86Å; L34-I170 HydrophobicContact CD1-CD1 4.02Å; A43-I170 HydrophobicContact CB-CD1 3.89Å; V44-I170 HydrophobicContact CG2-CD1 3.93Å; V44-I170 HydrophobicContact CG2-CG1 3.88Å; F74-I170 HydrophobicContact CD2-CG2 4.22Å; F74-I170 HydrophobicContact CE2-CG2 3.54Å; F74-I170 HydrophobicContact CZ-CG2 4.4Å; L76-I170 HydrophobicContact CD2-CB 4.41Å; L76-I170 HydrophobicContact CD2-CG1 3.68Å
171	R	90.4	Very high	83.7	Confident	91 Å²	91	78.4 Å²	78.4	34%	0.343	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	144.9	172.4	-58	-175.6	-178.6	157.8	5.9	109.9	G75 Y77 N82 E169	G75-R171 PolarHBondContact N-O 2.96Å; G75-R171 PolarHBondContact O-N 3.23Å; Y77-R171 HydrophobicContact CD2-CB 3.98Å; Y77-R171 HydrophobicContact CD2-CG 3.72Å; Y77-R171 HydrophobicContact CE2-CB 3.76Å; Y77-R171 HydrophobicContact CE2-CG 3.97Å; N82-R171 VanDerWaalsContact OD1-CZ 3.27Å; N82-R171 PolarHBondContact OD1-NH1 3.17Å; N82-R171 PolarHBondContact OD1-NH2 3.35Å; E169-R171 HydrophobicContact CG-CG 4.26Å; E169-R171 IonicContact OE2-CZ 3.83Å; E169-R171 IonicContact OE2-NE 3.32Å; E169-R171 PolarHBondContact OE2-NE 3.03Å; E169-R171 IonicContact OE2-NH2 3.22Å; E169-R171 PolarHBondContact OE2-NH2 2.87Å
172	H	90.8	Very high	83.9	Confident	64 Å²	64	78.1 Å²	78.1	30%	0.296	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	152.7	179.7	63.6	96.7	0	0	0	111.1	V31 L73 Q174 L187	V31-H172 HydrophobicContact CG1-CB 4.13Å; L73-H172 WeakPolarHBondContact O-CA 3.09Å; H172-Q174 VanDerWaalsContact C-N 3.32Å; H172-Q174 PolarHBondContact CE1-OE1 2.78Å; H172-Q174 WeakPolarHBondContact ND1-CB 3.21Å; H172-Q174 PolarHBondContact O-N 3.39Å; H172-L187 HydrophobicContact CB-CD2 3.69Å
173	G	86.3	Confident	84.3	Confident	3 Å²	3	77.9 Å²	77.9	3%	0.031	37%	0.371	C	S	.	.	S	Bend	trans	-77.6	-2.3	-171.1	0	0	0	0	0	116.4	V72 L73 K175 S176 Y177	V72-G173 WeakPolarHBondContact O-CA 3.3Å; L73-G173 PolarHBondContact O-N 3.06Å; G173-K175 PolarHBondContact O-N 2.96Å; G173-S176 PolarHBondContact O-N 3.09Å; G173-Y177 VanDerWaalsContact O-CD2 3.25Å; G173-Y177 WeakPolarHBondContact O-CD2 3.5Å; G173-Y177 PolarHBondContact O-N 3.18Å
174	Q	88.4	Confident	85.4	Confident	77 Å²	77	66.1 Å²	66.1	36%	0.36	33%	0.328	S	S	.	.	H	α-helix	trans	-54.1	-44.7	-166.6	-170.1	-176.9	18.5	0	0	114.1	L32 H172 A178 V184	L32-Q174 HydrophobicContact CD2-CB 4.09Å; L32-Q174 HydrophobicContact CD2-CG 4.42Å; H172-Q174 VanDerWaalsContact C-N 3.32Å; H172-Q174 PolarHBondContact CE1-OE1 2.78Å; H172-Q174 WeakPolarHBondContact ND1-CB 3.21Å; H172-Q174 PolarHBondContact O-N 3.39Å; Q174-A178 WeakPolarHBondContact O-CB 3.46Å; Q174-A178 PolarHBondContact O-N 2.78Å; Q174-A178 VanDerWaalsContact O-N 3.11Å; Q174-V184 HydrophobicContact CB-CB 4.49Å
175	K	85.8	Confident	85.8	Confident	163 Å²	163	65.8 Å²	65.8	71%	0.709	33%	0.326	S	S	*	.	H	α-helix	trans	-71.6	-36.8	177.8	-70.9	-176.7	-179.7	176.7	0	112.5	G173 R179	G173-K175 PolarHBondContact O-N 2.96Å; K175-R179 WeakPolarHBondContact O-CG 3.29Å; K175-R179 PolarHBondContact O-N 2.94Å
176	S	84.6	Confident	86.6	Confident	66 Å²	66	66.1 Å²	66.1	46%	0.462	33%	0.328	S	S	.	.	H	α-helix	trans	-68.6	-44.3	179	-53.7	0	0	0	0	110.8	G173 A178 R179 L180	G173-S176 PolarHBondContact O-N 3.09Å; S176-A178 VanDerWaalsContact C-N 3.34Å; S176-A178 PolarHBondContact O-N 3.36Å; S176-R179 PolarHBondContact O-N 2.88Å; S176-L180 WeakPolarHBondContact O-CG 3.2Å; S176-L180 PolarHBondContact O-N 3.37Å
177	Y	86.1	Confident	87.2	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-65.6	-37.7	177.8	-79	-133.1	0	0	0	110.9	L65 G71 V72 L73 G173 R179 L180 G182 V184	L65-Y177 HydrophobicContact CD1-CE1 3.8Å; L65-Y177 HydrophobicContact CD2-CD1 3.35Å; L65-Y177 HydrophobicContact CD2-CE1 3.3Å; L65-Y177 HydrophobicContact CD2-CG 4.12Å; L65-Y177 HydrophobicContact CG-CD1 3.96Å; L65-Y177 HydrophobicContact CG-CE1 3.64Å; G71-Y177 PolarHBondContact O-OH 2.01Å; V72-Y177 WeakPolarHBondContact O-CE2 3.23Å; L73-Y177 HydrophobicContact CD1-CE1 4.45Å; G173-Y177 VanDerWaalsContact O-CD2 3.25Å; G173-Y177 WeakPolarHBondContact O-CD2 3.5Å; G173-Y177 PolarHBondContact O-N 3.18Å; Y177-R179 PolarHBondContact O-N 2.71Å; Y177-L180 CarbonylContact O-C 3.57Å; Y177-L180 PolarHBondContact O-N 2.9Å; Y177-G182 CarbonylContact C-O 3.56Å; Y177-G182 CarbonylContact O-C 3.55Å; Y177-G182 VanDerWaalsContact O-CA 3.29Å; Y177-G182 WeakPolarHBondContact O-CA 3.26Å; Y177-G182 PolarHBondContact O-N 2.8Å; Y177-V184 HydrophobicContact CD1-CG2 3.53Å; Y177-V184 HydrophobicContact CD2-CG2 4.39Å; Y177-V184 HydrophobicContact CE1-CG2 4.11Å; Y177-V184 HydrophobicContact CG-CG2 3.71Å
178	A	84.8	Confident	87.7	Confident	64 Å²	64	62 Å²	62	53%	0.529	30%	0.301	S	S	.	.	H	α-helix	trans	-64.4	-34.3	175.3	0	0	0	0	0	113.9	Q174 S176 L180 Q181 G182	Q174-A178 WeakPolarHBondContact O-CB 3.46Å; Q174-A178 PolarHBondContact O-N 2.78Å; Q174-A178 VanDerWaalsContact O-N 3.11Å; S176-A178 VanDerWaalsContact C-N 3.34Å; S176-A178 PolarHBondContact O-N 3.36Å; A178-L180 VanDerWaalsContact C-N 3.28Å; A178-Q181 PolarHBondContact O-N 2.87Å; A178-G182 WeakPolarHBondContact CA-O 3.35Å
179	R	85.9	Confident	87.9	Confident	212 Å²	212	62 Å²	62	80%	0.8	30%	0.301	S	S	*	.	H	α-helix	trans	-67.8	-31.6	174.2	-71.9	178	-169.4	175.2	0.9	112.2	K175 S176 Y177 Q181	K175-R179 WeakPolarHBondContact O-CG 3.29Å; K175-R179 PolarHBondContact O-N 2.94Å; S176-R179 PolarHBondContact O-N 2.88Å; Y177-R179 PolarHBondContact O-N 2.71Å; R179-Q181 PolarHBondContact O-N 3.16Å
180	L	83.3	Confident	87.9	Confident	59 Å²	59	58.8 Å²	58.8	31%	0.309	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	12.8	176.1	-61.6	171.5	0	0	0	112.4	P66 M69 S176 Y177 A178 G182	P66-L180 WeakPolarHBondContact CG-O 3.28Å; M69-L180 HydrophobicContact SD-CB 3.86Å; M69-L180 HydrophobicContact SD-CD2 3.72Å; M69-L180 HydrophobicContact SD-CG 4.26Å; S176-L180 WeakPolarHBondContact O-CG 3.2Å; S176-L180 PolarHBondContact O-N 3.37Å; Y177-L180 CarbonylContact O-C 3.57Å; Y177-L180 PolarHBondContact O-N 2.9Å; A178-L180 VanDerWaalsContact C-N 3.28Å; L180-G182 PolarHBondContact O-N 3.11Å; L180-G182 VanDerWaalsContact O-N 3.09Å
181	Q	82.7	Confident	87.7	Confident	169 Å²	169	58.5 Å²	58.5	79%	0.79	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	10.6	-172.5	-50.2	-177.4	-4.1	0	0	115.2	P66 A178 R179	P66-Q181 HydrophobicContact CG-CB 4.49Å; A178-Q181 PolarHBondContact O-N 2.87Å; R179-Q181 PolarHBondContact O-N 3.16Å
182	G	85.3	Confident	87.1	Confident	8 Å²	8	54.7 Å²	54.7	8%	0.082	27%	0.273	C	S	.	.			trans	-90.1	-179.7	169.9	0	0	0	0	0	113.5	R64 Y177 A178 L180	R64-G182 CarbonylContact O-C 3.44Å; R64-G182 WeakPolarHBondContact O-CA 2.76Å; Y177-G182 CarbonylContact C-O 3.56Å; Y177-G182 CarbonylContact O-C 3.55Å; Y177-G182 VanDerWaalsContact O-CA 3.29Å; Y177-G182 WeakPolarHBondContact O-CA 3.26Å; Y177-G182 PolarHBondContact O-N 2.8Å; A178-G182 WeakPolarHBondContact CA-O 3.35Å; L180-G182 PolarHBondContact O-N 3.11Å; L180-G182 VanDerWaalsContact O-N 3.09Å
183	A	88.6	Confident	86.6	Confident	28 Å²	28	53.4 Å²	53.4	23%	0.231	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	139.5	176	0	0	0	0	0	111.7	I63 R64 E185	I63-A183 CarbonylContact C-O 3.54Å; I63-A183 WeakPolarHBondContact CA-O 3.36Å; R64-A183 HydrophobicContact CB-CB 4.48Å; R64-A183 PolarHBondContact N-O 3.26Å; R64-A183 PolarHBondContact O-N 3.49Å; A183-E185 HydrophobicContact CB-CG 4.41Å
184	V	90.4	Very high	86.3	Confident	7 Å²	7	55.8 Å²	55.8	4%	0.042	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	101.2	162.2	-178.6	0	0	0	0	106.3	L32 I63 L73 Q174 Y177 L187	L32-V184 HydrophobicContact CD1-CG1 4.37Å; L32-V184 HydrophobicContact CD2-CG1 4.41Å; I63-V184 HydrophobicContact CG2-CB 4.49Å; I63-V184 HydrophobicContact CG2-CG1 4.22Å; I63-V184 HydrophobicContact CG2-CG2 4.2Å; L73-V184 HydrophobicContact CD1-CG1 4.22Å; L73-V184 HydrophobicContact CD1-CG2 4.07Å; Q174-V184 HydrophobicContact CB-CB 4.49Å; Y177-V184 HydrophobicContact CD1-CG2 3.53Å; Y177-V184 HydrophobicContact CD2-CG2 4.39Å; Y177-V184 HydrophobicContact CE1-CG2 4.11Å; Y177-V184 HydrophobicContact CG-CG2 3.71Å; V184-L187 HydrophobicContact CG1-CB 4.14Å
185	E	88.8	Confident	86	Confident	115 Å²	115	53.3 Å²	53.3	54%	0.537	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	-36.9	-173.7	-60.4	-171.4	161.2	0	0	111.9	T62 A183	T62-E185 HydrophobicContact CG2-CB 4.31Å; T62-E185 WeakPolarHBondContact CG2-OE2 3.25Å; T62-E185 PolarHBondContact O-N 2.8Å; A183-E185 HydrophobicContact CB-CG 4.41Å
186	S	91.1	Very high	85.6	Confident	16 Å²	16	47.5 Å²	47.5	11%	0.112	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	143.5	174.9	78.9	0	0	0	0	110.5	S61 T62	S61-S186 WeakPolarHBondContact CA-O 3.23Å; S61-S186 WeakPolarHBondContact CB-O 3.45Å; S61-S186 PolarHBondContact OG-O 3.47Å; T62-S186 WeakPolarHBondContact CB-OG 3.34Å; T62-S186 PolarHBondContact N-O 3.35Å; T62-S186 VanDerWaalsContact N-O 3.08Å; T62-S186 PolarHBondContact N-OG 2.8Å; T62-S186 VanDerWaalsContact N-OG 3.13Å; T62-S186 PolarHBondContact O-N 2.72Å; T62-S186 PolarHBondContact OG1-OG 2.76Å; T62-S186 VanDerWaalsContact OG1-OG 3.12Å
187	L	92.6	Very high	85.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	110.1	169.9	-179.6	65.7	0	0	0	109.2	V31 L32 V59 V60 L73 F74 H172 V184	V31-L187 HydrophobicContact CB-CB 4.43Å; V31-L187 HydrophobicContact CB-CD2 3.95Å; V31-L187 HydrophobicContact CB-CG 3.97Å; V31-L187 WeakPolarHBondContact CB-O 3.26Å; V31-L187 HydrophobicContact CG1-CD2 3.87Å; V31-L187 HydrophobicContact CG1-CG 4.43Å; V31-L187 HydrophobicContact CG2-CG 4.24Å; V31-L187 PolarHBondContact N-O 3.01Å; L32-L187 HydrophobicContact CD1-CB 4.36Å; L32-L187 HydrophobicContact CD2-CB 3.94Å; L32-L187 HydrophobicContact CD2-CD2 4.4Å; L32-L187 HydrophobicContact CG-CB 3.9Å; V59-L187 HydrophobicContact CG1-CD1 4Å; V60-L187 WeakPolarHBondContact O-CA 3.35Å; L73-L187 HydrophobicContact CD2-CD1 4.38Å; L73-L187 HydrophobicContact CG-CD1 4.22Å; F74-L187 HydrophobicContact CB-CD1 4.42Å; F74-L187 HydrophobicContact CB-CD2 4.22Å; F74-L187 HydrophobicContact CD2-CD2 4.23Å; H172-L187 HydrophobicContact CB-CD2 3.69Å; V184-L187 HydrophobicContact CG1-CB 4.14Å
188	R	91.4	Very high	85	Confident	78 Å²	78	49.7 Å²	49.7	29%	0.294	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	142.9	-174.7	-63.5	175.7	-177.4	154	2	110.6	V28 I29 D30 V60 L201	V28-R188 HydrophobicContact CG1-CB 3.98Å; V28-R188 HydrophobicContact CG1-CG 4.28Å; I29-R188 CarbonylContact O-C 3.37Å; I29-R188 VanDerWaalsContact O-CA 3.28Å; I29-R188 WeakPolarHBondContact O-CA 2.99Å; D30-R188 HydrophobicContact CB-CG 4.49Å; D30-R188 IonicContact OD2-NE 3.79Å; V60-R188 PolarHBondContact N-O 3.4Å; V60-R188 PolarHBondContact O-N 3.31Å; R188-L201 PolarHBondContact NH1-O 3.07Å
189	L	89.9	Confident	84.7	Confident	2 Å²	2	46.6 Å²	46.6	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	116.8	171.6	-57.4	169.9	0	0	0	108.2	V28 I29 V31 L47 Y58 V59 F74	V28-L189 CarbonylContact C-O 3.56Å; V28-L189 WeakPolarHBondContact CA-O 3.33Å; I29-L189 HydrophobicContact CB-CB 4.29Å; I29-L189 PolarHBondContact N-O 2.83Å; I29-L189 PolarHBondContact O-N 2.97Å; V31-L189 HydrophobicContact CG2-CD1 3.73Å; V31-L189 HydrophobicContact CG2-CG 3.69Å; L47-L189 HydrophobicContact CD1-CD1 3.44Å; L47-L189 VanDerWaalsContact CD1-CD1 3.44Å; Y58-L189 CarbonylContact O-C 3.13Å; Y58-L189 WeakPolarHBondContact O-CA 3.36Å; V59-L189 HydrophobicContact CB-CD2 4.1Å; V59-L189 HydrophobicContact CG1-CD2 3.96Å; V59-L189 HydrophobicContact CG2-CD2 3.7Å; F74-L189 HydrophobicContact CE1-CD1 4.47Å; F74-L189 HydrophobicContact CE1-CD2 4.19Å; F74-L189 HydrophobicContact CE2-CD1 3.76Å; F74-L189 HydrophobicContact CE2-CD2 4.33Å; F74-L189 HydrophobicContact CE2-CG 4.47Å; F74-L189 HydrophobicContact CZ-CD1 3.58Å; F74-L189 HydrophobicContact CZ-CD2 4.04Å; F74-L189 HydrophobicContact CZ-CG 4.41Å
190	A	88.5	Confident	84.3	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	116.4	174.9	0	0	0	0	0	109.5	V26 Y58 L201	V26-A190 HydrophobicContact CG1-CB 3.69Å; Y58-A190 HydrophobicContact CD2-CB 4.4Å; Y58-A190 PolarHBondContact N-O 2.74Å; Y58-A190 PolarHBondContact O-N 2.76Å; A190-L201 HydrophobicContact CB-CD1 3.94Å
191	L	86.7	Confident	84	Confident	6 Å²	6	39 Å²	39	3%	0.031	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	105	-179.7	-56.3	-179.2	0	0	0	108.3	Q27 I29 K46 L47 L54 V57	Q27-L191 HydrophobicContact CB-CB 4.26Å; Q27-L191 PolarHBondContact N-O 3.15Å; Q27-L191 PolarHBondContact O-N 2.94Å; I29-L191 HydrophobicContact CD1-CD1 3.94Å; K46-L191 HydrophobicContact CB-CD1 4.41Å; L47-L191 HydrophobicContact CD1-CD2 4.5Å; L54-L191 HydrophobicContact CD1-CB 3.59Å; V57-L191 HydrophobicContact CG1-CD2 3.89Å; V57-L191 HydrophobicContact CG2-CD2 3.97Å
192	G	78	Confident	83.5	Confident	11 Å²	11	31.5 Å²	31.5	11%	0.113	19%	0.193	C	C	.	.	S	Bend	trans	80.6	178.7	-178.5	0	0	0	0	0	114.2	D56	D56-G192 WeakPolarHBondContact O-CA 3.43Å; D56-G192 PolarHBondContact O-N 3.16Å; D56-G192 VanDerWaalsContact O-N 3.11Å
193	G	78.9	Confident	82.7	Confident	37 Å²	37	38.7 Å²	38.7	38%	0.381	23%	0.23	S	C	.	.	S	Bend	trans	99.2	-174.4	-175.1	0	0	0	0	0	113.7	Y58	Y58-G193 PolarHBondContact OH-O 2.92Å
194	S	80.7	Confident	81.6	Confident	54 Å²	54	37.8 Å²	37.8	38%	0.378	22%	0.222	S	C	.	.			trans	-98.5	160.3	172.7	64	0	0	0	0	110.7	A196 K197 A198	S194-A196 PolarHBondContact O-N 2.68Å; S194-A196 VanDerWaalsContact O-N 3.16Å; S194-K197 PolarHBondContact O-N 3.4Å; S194-K197 PolarHBondContact OG-N 2.8Å; S194-A198 PolarHBondContact O-N 3.12Å
195	V	81.8	Confident	80.1	Confident	24 Å²	24	42.7 Å²	42.7	15%	0.145	25%	0.254	C	S	.	.	H	α-helix	trans	-53.4	-35.4	173.8	-179.7	0	0	0	0	111.2	Y58 Y143 K197 A198 G199 F206	Y58-V195 HydrophobicContact CE1-CB 4.48Å; Y58-V195 HydrophobicContact CE1-CG2 3.79Å; Y58-V195 PolarHBondContact OH-N 3.02Å; Y143-V195 HydrophobicContact CE1-CG1 4.24Å; Y143-V195 HydrophobicContact CE2-CG1 4.17Å; Y143-V195 HydrophobicContact CE2-CG2 4.44Å; V195-K197 PolarHBondContact O-N 2.94Å; V195-A198 PolarHBondContact O-N 2.74Å; V195-G199 PolarHBondContact O-N 3.38Å; V195-F206 HydrophobicContact CG1-CE1 4.39Å; V195-F206 HydrophobicContact CG1-CE2 4.11Å; V195-F206 HydrophobicContact CG1-CZ 4.01Å
196	A	77	Confident	78.9	Confident	42 Å²	42	39.7 Å²	39.7	35%	0.347	24%	0.239	S	C	.	.	H	α-helix	trans	-64.2	-38.7	176	0	0	0	0	0	113.1	S194 G199 A200	S194-A196 PolarHBondContact O-N 2.68Å; S194-A196 VanDerWaalsContact O-N 3.16Å; A196-G199 PolarHBondContact O-N 3.11Å; A196-A200 PolarHBondContact O-N 3.33Å; A196-A200 VanDerWaalsContact O-N 3.14Å
197	K	80.1	Confident	76.7	Confident	109 Å²	109	48.8 Å²	48.8	47%	0.474	28%	0.28	S	S	.	.	H	α-helix	trans	-71.2	-34	174.1	-71.6	-169.8	-179.4	-176.6	0	112.2	V26 S194 V195	V26-K197 HydrophobicContact CG2-CB 3.99Å; V26-K197 HydrophobicContact CG2-CD 3.64Å; V26-K197 HydrophobicContact CG2-CG 4.49Å; S194-K197 PolarHBondContact O-N 3.4Å; S194-K197 PolarHBondContact OG-N 2.8Å; V195-K197 PolarHBondContact O-N 2.94Å
198	A	79.4	Confident	74.2	Confident	2 Å²	2	51.8 Å²	51.8	2%	0.017	31%	0.31	C	S	.	.	H	α-helix	trans	-68.6	-39.2	173.2	0	0	0	0	0	111.5	Y58 V60 I127 S194 V195 A200 L201	Y58-A198 HydrophobicContact CD1-CB 4Å; Y58-A198 HydrophobicContact CD2-CB 4.08Å; Y58-A198 HydrophobicContact CE1-CB 4.49Å; Y58-A198 HydrophobicContact CG-CB 3.78Å; V60-A198 HydrophobicContact CG2-CB 4.25Å; I127-A198 HydrophobicContact CG2-CB 4.45Å; S194-A198 PolarHBondContact O-N 3.12Å; V195-A198 PolarHBondContact O-N 2.74Å; A198-A200 VanDerWaalsContact C-N 3.32Å; A198-A200 PolarHBondContact O-N 3.08Å; A198-L201 VanDerWaalsContact O-CB 3.29Å; A198-L201 WeakPolarHBondContact O-CB 3.4Å; A198-L201 PolarHBondContact O-N 3.11Å; A198-L201 VanDerWaalsContact O-N 3.09Å
199	G	77.1	Confident	71.4	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-65	-30.6	175.6	0	0	0	0	0	114.6	V195 A196 L201 T202 D203 C204	V195-G199 PolarHBondContact O-N 3.38Å; A196-G199 PolarHBondContact O-N 3.11Å; G199-L201 PolarHBondContact O-N 2.99Å; G199-L201 VanDerWaalsContact O-N 3.12Å; G199-T202 PolarHBondContact O-N 2.99Å; G199-T202 VanDerWaalsContact O-N 3.15Å; G199-D203 PolarHBondContact O-N 3.28Å; G199-C204 PolarHBondContact O-N 2.83Å; G199-C204 VanDerWaalsContact O-N 3.08Å
200	A	77.6	Confident	68.5	Low	70 Å²	70	60.1 Å²	60.1	58%	0.579	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-12.9	172.4	0	0	0	0	0	113.4	A196 A198	A196-A200 PolarHBondContact O-N 3.33Å; A196-A200 VanDerWaalsContact O-N 3.14Å; A198-A200 VanDerWaalsContact C-N 3.32Å; A198-A200 PolarHBondContact O-N 3.08Å
201	L	78.1	Confident	65.8	Low	42 Å²	42	65.4 Å²	65.4	22%	0.22	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-13	176.7	-60.4	172.5	0	0	0	113.7	V28 V60 R188 A190 A198 G199	V28-L201 HydrophobicContact CG1-CD1 4.24Å; V28-L201 HydrophobicContact CG2-CD1 3.86Å; V28-L201 HydrophobicContact CG2-CD2 4.21Å; V60-L201 HydrophobicContact CG1-CB 4.29Å; R188-L201 PolarHBondContact NH1-O 3.07Å; A190-L201 HydrophobicContact CB-CD1 3.94Å; A198-L201 VanDerWaalsContact O-CB 3.29Å; A198-L201 WeakPolarHBondContact O-CB 3.4Å; A198-L201 PolarHBondContact O-N 3.11Å; A198-L201 VanDerWaalsContact O-N 3.09Å; G199-L201 PolarHBondContact O-N 2.99Å; G199-L201 VanDerWaalsContact O-N 3.12Å
202	T	72.4	Confident	63.2	Low	10 Å²	10	68.5 Å²	68.5	6%	0.061	43%	0.433	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.5	32.6	-179.7	44.4	0	0	0	0	112.5	V60 T62 G199 C204	V60-T202 HydrophobicContact CG1-CG2 3.32Å; T62-T202 WeakPolarHBondContact OG1-CG2 3.47Å; G199-T202 PolarHBondContact O-N 2.99Å; G199-T202 VanDerWaalsContact O-N 3.15Å; T202-C204 PolarHBondContact O-N 2.81Å; T202-C204 VanDerWaalsContact O-N 3.09Å
203	D	67.8	Low	60.7	Low	159 Å²	159	76.8 Å²	76.8	85%	0.85	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	32.8	177.1	-67.5	-36.1	0	0	0	114.9	G199 P205	G199-D203 PolarHBondContact O-N 3.28Å; D203-P205 WeakPolarHBondContact O-CD 3.45Å
204	C	65.7	Low	58.2	Low	10 Å²	10	81.8 Å²	81.8	7%	0.068	49%	0.485	C	S	.	.			trans	-93.6	112.8	180	-99.5	0	0	0	0	112.6	C146 G199 T202 F206	C146-C204 VanDerWaalsContact CA-SG 3.52Å; C146-C204 HydrophobicContact CB-CB 3.72Å; C146-C204 WeakPolarHBondContact CB-SG 3.26Å; C146-C204 PolarHBondContact N-SG 2.64Å; C146-C204 VanDerWaalsContact N-SG 3.39Å; C146-C204 WeakPolarHBondContact SG-CA 3.31Å; C146-C204 WeakPolarHBondContact SG-CB 3.4Å; C146-C204 CovalentContact SG-SG 2.03Å; C146-C204 PolarHBondContact SG-SG 2.61Å; G199-C204 PolarHBondContact O-N 2.83Å; G199-C204 VanDerWaalsContact O-N 3.08Å; T202-C204 PolarHBondContact O-N 2.81Å; T202-C204 VanDerWaalsContact O-N 3.09Å; C204-F206 HydrophobicContact CB-CD2 4.26Å; C204-F206 HydrophobicContact CB-CE2 3.95Å; C204-F206 PolarHBondContact O-N 3.38Å
205	P	57.6	Low	55.7	Low	109 Å²	109	85.1 Å²	85.1	71%	0.708	51%	0.508	S	S	*	.			trans	-84.2	82.1	178.8	33.7	-32.9	0	0	0	110.8	D203 Q207	D203-P205 WeakPolarHBondContact O-CD 3.45Å; P205-Q207 PolarHBondContact O-N 2.82Å; P205-Q207 VanDerWaalsContact O-N 3.09Å
206	F	64.4	Low	53.1	Low	52 Å²	52	87.3 Å²	87.3	23%	0.228	54%	0.535	C	S	.	.			trans	-65.7	108.5	168.6	-70.9	-75.6	0	0	0	109.6	I127 Y143 C146 V195 C204 G208	I127-F206 HydrophobicContact CD1-CE2 3.74Å; I127-F206 HydrophobicContact CD1-CZ 3.97Å; Y143-F206 AromaticContact CD1-CE1 3.95Å; Y143-F206 HydrophobicContact CD1-CE1 3.95Å; Y143-F206 HydrophobicContact CD1-CZ 4.13Å; Y143-F206 HydrophobicContact CE1-CE1 4.38Å; Y143-F206 HydrophobicContact CG-CZ 4.5Å; C146-F206 HydrophobicContact CB-CE1 4.16Å; C146-F206 HydrophobicContact CB-CZ 4.2Å; C146-F206 WeakPolarHBondContact O-CE1 3.45Å; V195-F206 HydrophobicContact CG1-CE1 4.39Å; V195-F206 HydrophobicContact CG1-CE2 4.11Å; V195-F206 HydrophobicContact CG1-CZ 4.01Å; C204-F206 HydrophobicContact CB-CD2 4.26Å; C204-F206 HydrophobicContact CB-CE2 3.95Å; C204-F206 PolarHBondContact O-N 3.38Å; F206-G208 PolarHBondContact O-N 3.14Å
207	Q	44.5	Very low	50.8	Low	208 Å²	208	95.6 Å²	95.6	97%	0.972	56%	0.564	S	S	*	*	S	Bend	trans	-69.7	97.7	174.3	-98.4	-175.8	-11.8	0	0	109.9	P205	P205-Q207 PolarHBondContact O-N 2.82Å; P205-Q207 VanDerWaalsContact O-N 3.09Å
208	G	41.5	Very low	48.3	Very low	62 Å²	62	93.9 Å²	93.9	64%	0.639	58%	0.576	S	S	*	*	S	Bend	trans	157.7	46.1	173.7	0	0	0	0	0	115.3	F206	F206-G208 PolarHBondContact O-N 3.14Å
209	D	30.9	Very low	45.8	Very low	137 Å²	137	102.8 Å²	102.8	73%	0.733	62%	0.618	S	S	*	*			trans	-170.1	68.3	144.3	-112	-12.2	0	0	0	110.7	S211	D209-S211 PolarHBondContact O-N 2.93Å
210	S	29.4	Very low	43.5	Very low	118 Å²	118	108.1 Å²	108.1	83%	0.825	65%	0.65	S	S	*	*			trans	-87.6	83.5	159.9	43.5	0	0	0	0	108.8	A212	S210-A212 VanDerWaalsContact C-N 3.25Å; S210-A212 PolarHBondContact O-N 2.9Å
211	S	31.5	Very low	41.2	Very low	112 Å²	112	113.3 Å²	113.3	78%	0.783	66%	0.662	S	S	*	*			trans	-83.5	68.7	160	45.4	0	0	0	0	109.9	D209	D209-S211 PolarHBondContact O-N 2.93Å
212	A	32.9	Very low	38.9	Very low	70 Å²	70	115.4 Å²	115.4	58%	0.579	68%	0.681	S	S	*	*			trans	-168.4	125.9	157.6	0	0	0	0	0	111.4	S210	S210-A212 VanDerWaalsContact C-N 3.25Å; S210-A212 PolarHBondContact O-N 2.9Å
213	F	26.4	Very low	36.9	Very low	185 Å²	185	122 Å²	122	81%	0.811	71%	0.714	S	S	*	*			trans	72.2	125.7	176.7	-61.2	-87.5	0	0	0	115.3
214	N	25.8	Very low	35	Very low	142 Å²	142	122.7 Å²	122.7	76%	0.759	72%	0.717	S	S	*	*			cis	-158.5	150.1	15.7	-122.1	-21.7	0	0	0	111.1
215	S	28.7	Very low	33.4	Very low	125 Å²	125	125.9 Å²	125.9	87%	0.874	75%	0.751	S	S	*	*			trans	-58.7	140.3	166.3	-62.2	0	0	0	0	112
216	G	26.7	Very low	32.6	Very low	69 Å²	69	129.9 Å²	129.9	71%	0.711	76%	0.76	S	S	*	*			trans	130.1	103.3	143.2	0	0	0	0	0	117.1
217	K	27.8	Very low	31.5	Very low	217 Å²	217	136 Å²	136	94%	0.943	79%	0.79	S	S	*	*			trans	74.3	121.2	143.4	-66.2	-177.8	173.8	-179	0	119.4
218	G	27	Very low	31.3	Very low	72 Å²	72	132.2 Å²	132.2	74%	0.742	78%	0.781	S	S	*	*				111.7	88.9	125.9	0	0	0	0	0	116.4
219	E	28.1	Very low	31.2	Very low	189 Å²	189	139 Å²	139	88%	0.883	79%	0.792	S	S	*	*			trans	13.6	124.3	134.8	-67.9	179.4	140.5	0	0	118.5
220	V	28.8	Very low	31.8	Very low	113 Å²	113	136 Å²	136	69%	0.685	79%	0.787	S	S	*	*				169.7	135	90.6	168.5	0	0	0	0	110.4
221	Q	28.2	Very low	32.5	Very low	178 Å²	178	137 Å²	137	83%	0.832	78%	0.782	S	S	*	*			trans	71.2	144.5	159.4	-81	157.5	-26.6	0	0	120.5
222	S	30.3	Very low	33.2	Very low	87 Å²	87	138.2 Å²	138.2	61%	0.608	78%	0.779	S	S	*	*			cis	174	146.1	-43.7	57.9	0	0	0	0	107.1
223	I	31.7	Very low	33.7	Very low	147 Å²	147	137.3 Å²	137.3	75%	0.754	78%	0.777	S	S	*	*			trans	90	95.3	155	-55.2	153.8	0	0	0	117.7
224	L	27.7	Very low	35	Very low	175 Å²	175	135.7 Å²	135.7	92%	0.916	77%	0.772	S	S	*	*				168.2	127.8	115.7	-102.3	138	0	0	0	110.4
225	G	31.5	Very low	36.1	Very low	77 Å²	77	135.4 Å²	135.4	79%	0.794	77%	0.769	S	S	*	*			trans	130.2	46.8	164	0	0	0	0	0	117.6
226	E	41.2	Very low	37.1	Very low	192 Å²	192	135.6 Å²	135.6	90%	0.897	76%	0.759	S	S	*	*			trans	-118.7	39.7	176.2	-147.6	-179.7	-154.4	0	0	113.1
227	H	40	Very low	38.5	Very low	182 Å²	182	137.6 Å²	137.6	84%	0.843	75%	0.752	S	S	*	*			trans	-117.4	2.8	-176.2	-88.8	-68	0	0	0	117.7
228	T	40.6	Very low	39.4	Very low	128 Å²	128	134.1 Å²	134.1	79%	0.785	74%	0.738	S	S	*	*	S	Bend	trans	-110.6	2.7	-177.5	46.2	0	0	0	0	116
229	K	40.1	Very low	40.4	Very low	203 Å²	203	137 Å²	137	88%	0.883	74%	0.736	S	S	*	*	S	Bend	trans	-98.2	-5.8	179.1	-78.7	-176.4	177.9	175.7	0	116.1
230	A	43.6	Very low	41.4	Very low	76 Å²	76	134.7 Å²	134.7	63%	0.628	73%	0.725	S	S	*	*	S	Bend	trans	-90.1	-11.7	-178	0	0	0	0	0	114.6
231	L	43.7	Very low	42.6	Very low	137 Å²	137	134.6 Å²	134.6	72%	0.717	72%	0.719	S	S	*	*	S	Bend	trans	-84.9	-21.7	-172.5	-126.9	84.9	0	0	0	114.7
232	I	46.1	Very low	43.8	Very low	138 Å²	138	132.1 Å²	132.1	71%	0.708	71%	0.711	S	S	*	*	S	Bend	trans	-87.2	-18.2	-175.1	-65.6	172.5	0	0	0	112.5
233	G	43.8	Very low	44.5	Very low	52 Å²	52	130.3 Å²	130.3	54%	0.536	71%	0.707	S	S	.	*	S	Bend	trans	-80.2	-18.6	179.1	0	0	0	0	0	115.4
234	Q	53.1	Low	45.4	Very low	151 Å²	151	130.6 Å²	130.6	71%	0.706	71%	0.705	S	S	*	*	S	Bend	trans	-91	-20	-172.3	-75.3	-176	-29	0	0	114.5
235	L	49.6	Very low	46.2	Very low	135 Å²	135	129.6 Å²	129.6	71%	0.707	70%	0.7	S	S	*	*	H	α-helix	trans	-81.4	-14	-178.8	-92.2	147.7	0	0	0	114.6
236	I	49.6	Very low	47.1	Very low	129 Å²	129	136.7 Å²	136.7	66%	0.662	70%	0.702	S	S	*	*	H	α-helix	trans	-85.8	-23.2	-180	-65.7	175.9	0	0	0	112.4
237	I	55.9	Low	47.3	Very low	111 Å²	111	134.9 Å²	134.9	57%	0.569	69%	0.694	S	S	*	*	H	α-helix	trans	-84.2	-24	-179.4	-64.4	172.9	0	0	0	111.9	Q240 I241	I237-Q240 PolarHBondContact O-N 2.91Å; I237-I241 HydrophobicContact CG2-CD1 4.22Å
238	F	47.6	Very low	47.5	Very low	145 Å²	145	133.5 Å²	133.5	64%	0.636	69%	0.693	S	S	*	*	H	α-helix	trans	-73.5	-32.5	-173.6	-165	-105.3	0	0	0	113.9	L242	F238-L242 HydrophobicContact CE1-CD1 4.42Å
239	N	47.1	Very low	48.1	Very low	131 Å²	131	134.9 Å²	134.9	70%	0.701	69%	0.694	S	S	*	*	H	α-helix	trans	-81.1	-10.6	177.6	-85.1	-30.2	0	0	0	114.4
240	Q	48.4	Very low	48.4	Very low	141 Å²	141	136.4 Å²	136.4	66%	0.659	69%	0.694	S	S	*	*	H	α-helix	trans	-88.1	-23.3	-179.9	-153.4	161.6	-4.3	0	0	112.5	I237	I237-Q240 PolarHBondContact O-N 2.91Å
241	I	55.8	Low	48.7	Very low	111 Å²	111	141.7 Å²	141.7	57%	0.569	71%	0.706	S	S	*	*	H	α-helix	trans	-84.4	-26.9	-178.2	-64.7	173.7	0	0	0	112.4	I237 G243	I237-I241 HydrophobicContact CG2-CD1 4.22Å; I241-G243 VanDerWaalsContact C-N 3.3Å; I241-G243 PolarHBondContact O-N 3.03Å
242	L	52.4	Low	48.6	Very low	126 Å²	126	144.2 Å²	144.2	66%	0.66	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	-14.4	179.2	-85.8	162.3	0	0	0	114.2	F238	F238-L242 HydrophobicContact CE1-CD1 4.42Å
243	G	45.9	Very low	48.7	Very low	50 Å²	50	143.4 Å²	143.4	52%	0.515	72%	0.715	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.2	-26.7	177	0	0	0	0	0	114.7	I241	I241-G243 VanDerWaalsContact C-N 3.3Å; I241-G243 PolarHBondContact O-N 3.03Å
244	E	50	Low	48.4	Very low	153 Å²	153	150.6 Å²	150.6	72%	0.715	73%	0.731	S	S	*	*	G	3₁₀ helix	trans	-81	-14.6	-175.5	-70	-174.4	163.7	0	0	113.3	R246	E244-R246 PolarHBondContact O-N 2.83Å
245	L	44.4	Very low	47.7	Very low	153 Å²	153	150.6 Å²	150.6	80%	0.801	73%	0.731	S	S	*	*	G	3₁₀ helix	trans	-85.3	-2.3	-177.4	-138	92.6	0	0	0	115.3
246	R	49.3	Very low	47.5	Very low	226 Å²	226	152.7 Å²	152.7	85%	0.853	74%	0.74	S	S	*	*	G	3₁₀ helix	trans	-101.7	-7.8	-180	-165.4	169.7	163.6	164.5	-3.9	114.1	E244	E244-R246 PolarHBondContact O-N 2.83Å
247	Q	45.9	Very low	46.8	Very low	154 Å²	154	151.7 Å²	151.7	72%	0.72	74%	0.744	S	S	*	*	S	Bend	trans	-102.5	-18.9	-171.5	-139.9	90.6	-6.8	0	0	115.3	I249	Q247-I249 PolarHBondContact O-N 3.14Å
248	D	44.4	Very low	46.1	Very low	153 Å²	153	153.5 Å²	153.5	82%	0.818	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-3.7	-173.8	-94.3	3.7	0	0	0	115.8	R250	D248-R250 VanDerWaalsContact C-N 3.35Å; D248-R250 PolarHBondContact O-N 3.21Å
249	I	53.3	Low	46	Very low	157 Å²	157	153.9 Å²	153.9	81%	0.805	76%	0.761	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-0.3	178.9	-68.5	178.8	0	0	0	113	Q247	Q247-I249 PolarHBondContact O-N 3.14Å
250	R	46.4	Very low	46	Very low	235 Å²	235	158.1 Å²	158.1	89%	0.887	77%	0.768	S	S	*	*	S	Bend	trans	-109.4	-2.4	-176.1	-104.1	-174.5	-166	164.1	5.2	118.9	D248	D248-R250 VanDerWaalsContact C-N 3.35Å; D248-R250 PolarHBondContact O-N 3.21Å
251	E	48.9	Very low	45.8	Very low	188 Å²	188	158.1 Å²	158.1	88%	0.879	77%	0.772	S	S	*	*			trans	-113.8	25.5	-179.9	-69.5	-164.9	159	0	0	114.9	V253	E251-V253 VanDerWaalsContact C-N 3.32Å; E251-V253 PolarHBondContact O-N 2.74Å
252	Q	42.9	Very low	45.1	Very low	189 Å²	189	158.9 Å²	158.9	88%	0.883	78%	0.782	S	S	*	*			trans	-88.5	33.6	163.2	-105.5	-147.1	-7.7	0	0	114.3
253	V	48.5	Very low	44.9	Very low	122 Å²	122	160.8 Å²	160.8	74%	0.739	79%	0.791	S	S	*	*			trans	-146.1	80.9	159.2	-168.7	0	0	0	0	110.9	E251	E251-V253 VanDerWaalsContact C-N 3.32Å; E251-V253 PolarHBondContact O-N 2.74Å
254	K	36.4	Very low	44.6	Very low	202 Å²	202	165.7 Å²	165.7	88%	0.878	81%	0.805	S	S	*	*	S	Bend	trans	-143.2	79.7	140.3	-109.4	175.6	-171.4	176.8	0	109.7
255	E	39.7	Very low	44.1	Very low	151 Å²	151	167.1 Å²	167.1	71%	0.706	81%	0.812	S	S	*	*			trans	28.9	107.8	135.2	-63.9	-168.7	150.6	0	0	117.5	S257	E255-S257 PolarHBondContact O-N 2.54Å
256	M	44	Very low	43.7	Very low	180 Å²	180	164.7 Å²	164.7	89%	0.887	81%	0.806	S	S	*	*				38.5	74.9	100.3	-164	171.9	67.4	0	0	115.1
257	S	35	Very low	42.9	Very low	108 Å²	108	162 Å²	162	76%	0.755	80%	0.803	S	S	*	*			trans	-155.7	130.8	140.7	61	0	0	0	0	111.5	E255	E255-S257 PolarHBondContact O-N 2.54Å
258	L	41.5	Very low	42.3	Very low	149 Å²	149	160.4 Å²	160.4	78%	0.78	80%	0.804	S	S	*	*	S	Bend	trans	74.6	74.1	153.5	-140.1	81.2	0	0	0	115.8
259	I	46.5	Very low	41.7	Very low	152 Å²	152	159.3 Å²	159.3	78%	0.779	81%	0.806	S	S	*	*				-129	66.1	97.9	-49.8	-175.7	0	0	0	110.3	N261	I259-N261 PolarHBondContact O-N 2.81Å
260	R	47.2	Very low	40.7	Very low	221 Å²	221	154.9 Å²	154.9	83%	0.834	80%	0.8	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	59.2	147	-171.6	-158.7	-151.7	169.3	9	110.1
261	N	43.1	Very low	40.1	Very low	141 Å²	141	153.4 Å²	153.4	75%	0.754	80%	0.8	S	S	*	*	T	Hydrogen-bonded Turn	trans	-164	34.6	168.8	-105.2	-3.1	0	0	0	116.3	I259	I259-N261 PolarHBondContact O-N 2.81Å
262	T	40.4	Very low	39.4	Very low	127 Å²	127	153.4 Å²	153.4	78%	0.779	80%	0.8	S	S	*	*	S	Bend	trans	-145	41.5	157	-17.5	0	0	0	0	113.1
263	I	49.6	Very low	39.3	Very low	165 Å²	165	152.9 Å²	152.9	85%	0.846	80%	0.798	S	S	*	*			trans	-105.9	91.4	145.6	-63.7	176.8	0	0	0	105
264	L	39.8	Very low	39.7	Very low	153 Å²	153	152.1 Å²	152.1	80%	0.801	80%	0.795	S	S	*	*			trans	-157.2	38.3	160.9	-109.4	179.1	0	0	0	112.5
265	E	39.1	Very low	40.3	Very low	184 Å²	184	153.9 Å²	153.9	86%	0.86	80%	0.796	S	S	*	*	S	Bend	trans	-139.5	93.5	143.7	-70.6	-163.3	165.2	0	0	105.9
266	C	36.7	Very low	41.2	Very low	101 Å²	101	150 Å²	150	68%	0.682	79%	0.786	S	S	*	*				62.3	125.4	96.8	-87.2	0	0	0	0	112.5
267	Q	32.5	Very low	42.2	Very low	169 Å²	169	149.1 Å²	149.1	79%	0.79	77%	0.773	S	S	*	*			cis	177.8	151.4	0.5	-149.3	172.7	-15.3	0	0	106.8
268	V	32.8	Very low	43.8	Very low	121 Å²	121	145 Å²	145	73%	0.733	74%	0.744	S	S	*	*			trans	96.4	96.5	153.5	-162.2	0	0	0	0	120.1
269	C	31.4	Very low	44.9	Very low	130 Å²	130	142.8 Å²	142.8	88%	0.878	74%	0.74	S	S	*	*			trans	-1	145.2	138.7	-51.1	0	0	0	0	122.8
270	G	31.6	Very low	45.8	Very low	65 Å²	65	141.2 Å²	141.2	67%	0.67	74%	0.74	S	S	*	*				138.2	93.6	120.9	0	0	0	0	0	120.9
271	F	34.2	Very low	47.1	Very low	203 Å²	203	135 Å²	135	89%	0.89	72%	0.723	S	S	*	*			trans	59.4	118.4	139.1	-76	-85.1	0	0	0	124.5
272	H	33.9	Very low	48.6	Very low	188 Å²	188	130.2 Å²	130.2	87%	0.87	70%	0.7	S	S	*	*				177.5	137.4	112.5	-105.7	-75	0	0	0	111.8
273	E	41.7	Very low	50.5	Low	179 Å²	179	124.8 Å²	124.8	84%	0.836	67%	0.667	S	S	*	*			trans	-117.6	174.4	168.4	-102.1	-166.7	177.7	0	0	109.5
274	P	55.8	Low	52	Low	106 Å²	106	120.4 Å²	120.4	69%	0.688	64%	0.641	S	S	*	*			cis	-141.1	171.4	-38.7	37.4	-19	0	0	0	113.5
275	R	50.4	Low	53.7	Low	239 Å²	239	124.2 Å²	124.2	90%	0.902	64%	0.644	S	S	*	*			trans	-154	120.4	151.6	-103.8	-174.9	179.1	179.9	-0.5	108.5
276	S	58.7	Low	55.3	Low	70 Å²	70	119.2 Å²	119.2	49%	0.49	64%	0.642	S	S	.	*			trans	-66.9	138.1	176.2	170.7	0	0	0	0	110.4	C278 D291	S276-C278 VanDerWaalsContact C-N 3.35Å; S276-C278 PolarHBondContact OG-N 3.21Å; S276-D291 WeakPolarHBondContact CA-OD2 3.47Å; S276-D291 WeakPolarHBondContact CB-OD2 3.39Å; S276-D291 VanDerWaalsContact OG-CG 3.25Å; S276-D291 PolarHBondContact OG-OD1 3.06Å; S276-D291 PolarHBondContact OG-OD2 2.63Å
277	R	65.4	Low	57.4	Low	161 Å²	161	114.8 Å²	114.8	61%	0.608	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	-2.9	-175.9	-61.8	-177.3	-172.5	-150.9	5.2	112.5	S279 D291	R277-S279 VanDerWaalsContact C-N 3.32Å; R277-S279 PolarHBondContact O-N 3.08Å; R277-D291 WeakPolarHBondContact CA-OD1 3.32Å; R277-D291 PolarHBondContact N-OD1 2.85Å
278	C	67.7	Low	59.5	Low	21 Å²	21	110.6 Å²	110.6	14%	0.142	60%	0.601	C	S	.	*	T	Hydrogen-bonded Turn	trans	-85.4	14.8	172.8	-77.1	0	0	0	0	114.8	S276 P280 N281 C289 M290 D291	S276-C278 VanDerWaalsContact C-N 3.35Å; S276-C278 PolarHBondContact OG-N 3.21Å; C278-P280 CarbonylContact O-C 3.48Å; C278-N281 VanDerWaalsContact O-CA 3.3Å; C278-N281 WeakPolarHBondContact O-CA 3.37Å; C278-N281 PolarHBondContact O-N 3.2Å; C278-C289 HydrophobicContact CB-CB 3.8Å; C278-C289 WeakPolarHBondContact CB-SG 3.45Å; C278-C289 WeakPolarHBondContact SG-CB 3.36Å; C278-C289 CovalentContact SG-SG 2.05Å; C278-C289 PolarHBondContact SG-SG 2.94Å; C278-M290 VanDerWaalsContact SG-C 3.59Å; C278-D291 PolarHBondContact N-OD1 2.89Å
279	S	65	Low	61.7	Low	102 Å²	102	106.1 Å²	106.1	71%	0.713	58%	0.575	S	S	*	*	S	Bend	trans	-136	111	179.6	-160.6	0	0	0	0	111.9	R277	R277-S279 VanDerWaalsContact C-N 3.32Å; R277-S279 PolarHBondContact O-N 3.08Å
280	P	64.1	Low	64	Low	119 Å²	119	105.4 Å²	105.4	77%	0.773	56%	0.56	S	S	*	*	S	Bend	cis	-70.6	147	5.2	29.3	-34	0	0	0	113.2	C278 P282	C278-P280 CarbonylContact O-C 3.48Å; P280-P282 WeakPolarHBondContact O-CD 3.19Å
281	N	74.8	Confident	65.9	Low	91 Å²	91	106.5 Å²	106.5	49%	0.487	55%	0.55	S	S	.	*			trans	-62.3	114.1	-171.8	-172.4	-4	0	0	0	111.3	C278 C283 C289	C278-N281 VanDerWaalsContact O-CA 3.3Å; C278-N281 WeakPolarHBondContact O-CA 3.37Å; C278-N281 PolarHBondContact O-N 3.2Å; N281-C283 VanDerWaalsContact C-N 3.31Å; N281-C283 WeakPolarHBondContact OD1-CB 3.49Å; N281-C283 PolarHBondContact OD1-N 2.84Å; N281-C289 WeakPolarHBondContact OD1-CB 3.4Å
282	P	75	Confident	67.6	Low	41 Å²	41	98.6 Å²	98.6	27%	0.266	52%	0.52	S	S	.	.			trans	-83	-4	-179	34.5	-35.6	0	0	0	113.8	P280 Y298	P280-P282 WeakPolarHBondContact O-CD 3.19Å; P282-Y298 HydrophobicContact CB-CD1 4.35Å; P282-Y298 HydrophobicContact CB-CD2 4.09Å; P282-Y298 HydrophobicContact CB-CE1 3.88Å; P282-Y298 HydrophobicContact CB-CE2 3.61Å; P282-Y298 HydrophobicContact CB-CG 4.44Å; P282-Y298 VanDerWaalsContact CB-CZ 3.49Å; P282-Y298 HydrophobicContact CG-CD1 3.72Å; P282-Y298 HydrophobicContact CG-CD2 3.34Å; P282-Y298 HydrophobicContact CG-CE1 3.78Å; P282-Y298 HydrophobicContact CG-CE2 3.41Å; P282-Y298 VanDerWaalsContact CG-CE2 3.41Å; P282-Y298 HydrophobicContact CG-CG 3.5Å
283	C	80.6	Confident	68.9	Low	13 Å²	13	98.5 Å²	98.5	9%	0.088	53%	0.525	C	S	.	.	S	Bend	trans	-87.8	158.9	179.6	-54.4	0	0	0	0	112.5	N281 V287 C289 C300	N281-C283 VanDerWaalsContact C-N 3.31Å; N281-C283 WeakPolarHBondContact OD1-CB 3.49Å; N281-C283 PolarHBondContact OD1-N 2.84Å; C283-V287 HydrophobicContact CB-CB 4.17Å; C283-V287 HydrophobicContact CB-CG1 4.23Å; C283-C289 HydrophobicContact CB-CB 4.45Å; C283-C289 WeakPolarHBondContact SG-CB 3.31Å; C283-C289 VanDerWaalsContact SG-SG 3.67Å; C283-C300 WeakPolarHBondContact CA-SG 3.47Å; C283-C300 HydrophobicContact CB-CB 3.71Å; C283-C300 WeakPolarHBondContact CB-SG 3.27Å; C283-C300 WeakPolarHBondContact SG-CA 3.09Å; C283-C300 WeakPolarHBondContact SG-CB 3.38Å; C283-C300 CovalentContact SG-SG 2.02Å; C283-C300 PolarHBondContact SG-SG 3.01Å
284	Y	80.1	Confident	70.1	Confident	73 Å²	73	97.6 Å²	97.6	29%	0.286	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-58.5	150.1	178.8	-172.9	-94	0	0	0	111.5	G286 V287 P304 G311 C314	Y284-G286 PolarHBondContact O-N 3.34Å; Y284-G286 VanDerWaalsContact O-N 3.1Å; Y284-V287 HydrophobicContact CD1-CG2 4.46Å; Y284-V287 WeakPolarHBondContact O-CB 3.33Å; Y284-V287 PolarHBondContact O-N 3.25Å; Y284-P304 HydrophobicContact CD1-CG 4.29Å; Y284-P304 HydrophobicContact CE1-CG 4.46Å; Y284-G311 PolarHBondContact N-O 2.91Å; Y284-C314 HydrophobicContact CD1-CB 3.78Å; Y284-C314 HydrophobicContact CD2-CB 3.99Å; Y284-C314 HydrophobicContact CE1-CB 3.96Å; Y284-C314 HydrophobicContact CE2-CB 4.16Å; Y284-C314 HydrophobicContact CG-CB 3.8Å
285	R	77	Confident	70	Confident	233 Å²	233	103 Å²	103	88%	0.879	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	117.5	-173.3	-170.7	179.4	-176.2	-178.2	-0.5	110.3
286	G	71.3	Confident	70.4	Confident	78 Å²	78	94.8 Å²	94.8	80%	0.804	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.8	-4.2	-177.5	0	0	0	0	0	115.4	Y284	Y284-G286 PolarHBondContact O-N 3.34Å; Y284-G286 VanDerWaalsContact O-N 3.1Å
287	V	80.5	Confident	70.9	Confident	8 Å²	8	91.5 Å²	91.5	5%	0.048	48%	0.484	C	S	.	.	P	Polyproline II helix	trans	-94.4	135.6	177.8	-179.9	0	0	0	0	111.5	C283 Y284 C300 G301 P304	C283-V287 HydrophobicContact CB-CB 4.17Å; C283-V287 HydrophobicContact CB-CG1 4.23Å; Y284-V287 HydrophobicContact CD1-CG2 4.46Å; Y284-V287 WeakPolarHBondContact O-CB 3.33Å; Y284-V287 PolarHBondContact O-N 3.25Å; V287-C300 HydrophobicContact CG1-CB 4.19Å; V287-G301 WeakPolarHBondContact CG1-O 3.24Å; V287-P304 HydrophobicContact CG2-CG 4.09Å
288	S	78.5	Confident	71.4	Confident	82 Å²	82	86.8 Å²	86.8	57%	0.573	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-72.6	129.6	178.8	-170.6	0	0	0	0	111.9	G301	S288-G301 PolarHBondContact O-N 2.83Å
289	C	78.9	Confident	71.9	Confident	26 Å²	26	89.1 Å²	89.1	18%	0.176	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	128.4	177.9	-174.3	0	0	0	0	110.5	C278 N281 C283	C278-C289 HydrophobicContact CB-CB 3.8Å; C278-C289 WeakPolarHBondContact CB-SG 3.45Å; C278-C289 WeakPolarHBondContact SG-CB 3.36Å; C278-C289 CovalentContact SG-SG 2.05Å; C278-C289 PolarHBondContact SG-SG 2.94Å; N281-C289 WeakPolarHBondContact OD1-CB 3.4Å; C283-C289 HydrophobicContact CB-CB 4.45Å; C283-C289 WeakPolarHBondContact SG-CB 3.31Å; C283-C289 VanDerWaalsContact SG-SG 3.67Å
290	M	78.8	Confident	72.7	Confident	116 Å²	116	85.6 Å²	85.6	57%	0.571	46%	0.455	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.9	134.8	174.4	-54.7	-175.6	-149.2	0	0	109.9	C278 S292 Y298 T299	C278-M290 VanDerWaalsContact SG-C 3.59Å; M290-S292 PolarHBondContact O-N 2.91Å; M290-Y298 CarbonylContact O-C 3.55Å; M290-Y298 WeakPolarHBondContact O-CA 3.03Å; M290-T299 PolarHBondContact N-O 3.14Å; M290-T299 PolarHBondContact O-N 2.91Å; M290-T299 PolarHBondContact O-OG1 3.49Å
291	D	71.8	Confident	73.4	Confident	87 Å²	87	81 Å²	81	47%	0.465	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	132.3	174.4	-77.4	-42.4	0	0	0	110	S276 R277 C278	S276-D291 WeakPolarHBondContact CA-OD2 3.47Å; S276-D291 WeakPolarHBondContact CB-OD2 3.39Å; S276-D291 VanDerWaalsContact OG-CG 3.25Å; S276-D291 PolarHBondContact OG-OD1 3.06Å; S276-D291 PolarHBondContact OG-OD2 2.63Å; R277-D291 WeakPolarHBondContact CA-OD1 3.32Å; R277-D291 PolarHBondContact N-OD1 2.85Å; C278-D291 PolarHBondContact N-OD1 2.89Å
292	S	68.6	Low	73.8	Confident	37 Å²	37	85.4 Å²	85.4	26%	0.259	45%	0.448	S	S	.	.			trans	-124.1	150.1	-179.9	-179.1	0	0	0	0	110.6	M290 G297	M290-S292 PolarHBondContact O-N 2.91Å; S292-G297 PolarHBondContact N-O 3.29Å; S292-G297 CarbonylContact O-C 3.55Å; S292-G297 WeakPolarHBondContact O-CA 3.36Å
293	L	62.9	Low	74.1	Confident	187 Å²	187	84.4 Å²	84.4	98%	0.979	44%	0.442	S	S	*	.	S	Bend	trans	-85.6	-13.3	-179.5	-67.1	168.8	0	0	0	112.7
294	Q	65.4	Low	74	Confident	160 Å²	160	85.6 Å²	85.6	75%	0.748	45%	0.449	S	S	*	.	S	Bend	trans	-92.8	134.9	175.5	-83.3	172.3	8	0	0	111	G297	Q294-G297 WeakPolarHBondContact O-CA 3.33Å; Q294-G297 PolarHBondContact O-N 3.49Å
295	Y	55.1	Low	73.8	Confident	218 Å²	218	87.2 Å²	87.2	86%	0.855	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	126.7	179.1	-168.5	-90.8	0	0	0	109.8
296	P	58.2	Low	73.5	Confident	68 Å²	68	76.4 Å²	76.4	44%	0.442	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	cis	-87.9	3.3	23.6	34	-35.4	0	0	0	116.7	Y298	P296-Y298 HydrophobicContact CB-CD1 4.33Å; P296-Y298 HydrophobicContact CB-CE1 3.86Å; P296-Y298 HydrophobicContact CG-CD1 4.27Å; P296-Y298 HydrophobicContact CG-CE1 3.87Å
297	G	70.1	Confident	74	Confident	1 Å²	1	73.9 Å²	73.9	1%	0.01	40%	0.399	C	S	.	.	S	Bend	trans	96	9.2	171.7	0	0	0	0	0	115	S292 Q294	S292-G297 PolarHBondContact N-O 3.29Å; S292-G297 CarbonylContact O-C 3.55Å; S292-G297 WeakPolarHBondContact O-CA 3.36Å; Q294-G297 WeakPolarHBondContact O-CA 3.33Å; Q294-G297 PolarHBondContact O-N 3.49Å
298	Y	75.2	Confident	73.9	Confident	62 Å²	62	76.6 Å²	76.6	24%	0.243	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	152.5	172.5	63.4	-91.1	0	0	0	108.8	P282 M290 P296 T312	P282-Y298 HydrophobicContact CB-CD1 4.35Å; P282-Y298 HydrophobicContact CB-CD2 4.09Å; P282-Y298 HydrophobicContact CB-CE1 3.88Å; P282-Y298 HydrophobicContact CB-CE2 3.61Å; P282-Y298 HydrophobicContact CB-CG 4.44Å; P282-Y298 VanDerWaalsContact CB-CZ 3.49Å; P282-Y298 HydrophobicContact CG-CD1 3.72Å; P282-Y298 HydrophobicContact CG-CD2 3.34Å; P282-Y298 HydrophobicContact CG-CE1 3.78Å; P282-Y298 HydrophobicContact CG-CE2 3.41Å; P282-Y298 VanDerWaalsContact CG-CE2 3.41Å; P282-Y298 HydrophobicContact CG-CG 3.5Å; M290-Y298 CarbonylContact O-C 3.55Å; M290-Y298 WeakPolarHBondContact O-CA 3.03Å; P296-Y298 HydrophobicContact CB-CD1 4.33Å; P296-Y298 HydrophobicContact CB-CE1 3.86Å; P296-Y298 HydrophobicContact CG-CD1 4.27Å; P296-Y298 HydrophobicContact CG-CE1 3.87Å; Y298-T312 HydrophobicContact CE2-CG2 3.99Å
299	T	78.9	Confident	74	Confident	69 Å²	69	75 Å²	75	42%	0.423	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	127.5	172.4	46	0	0	0	0	108.8	M290	M290-T299 PolarHBondContact N-O 3.14Å; M290-T299 PolarHBondContact O-N 2.91Å; M290-T299 PolarHBondContact O-OG1 3.49Å
300	C	81.6	Confident	74	Confident	28 Å²	28	79 Å²	79	19%	0.189	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	142.1	176.9	-59.8	0	0	0	0	110.4	C283 V287 G311 T312	C283-C300 WeakPolarHBondContact CA-SG 3.47Å; C283-C300 HydrophobicContact CB-CB 3.71Å; C283-C300 WeakPolarHBondContact CB-SG 3.27Å; C283-C300 WeakPolarHBondContact SG-CA 3.09Å; C283-C300 WeakPolarHBondContact SG-CB 3.38Å; C283-C300 CovalentContact SG-SG 2.02Å; C283-C300 PolarHBondContact SG-SG 3.01Å; V287-C300 HydrophobicContact CG1-CB 4.19Å; C300-G311 WeakPolarHBondContact CB-O 3.41Å; C300-T312 HydrophobicContact CB-CG2 4.27Å; C300-T312 WeakPolarHBondContact SG-CG2 3.29Å
301	G	79.1	Confident	73.8	Confident	23 Å²	23	73.5 Å²	73.5	24%	0.237	40%	0.404	C	S	.	.			trans	-66.4	-173.2	171.9	0	0	0	0	0	113.2	V287 S288 G311	V287-G301 WeakPolarHBondContact CG1-O 3.24Å; S288-G301 PolarHBondContact O-N 2.83Å; G301-G311 VanDerWaalsContact O-CA 3.3Å; G301-G311 WeakPolarHBondContact O-CA 3.45Å
302	Q	81.6	Confident	74.1	Confident	184 Å²	184	71.2 Å²	71.2	86%	0.86	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-66.1	152.2	176.6	-64.3	-179.6	-5.4	0	0	111.4
303	C	81.2	Confident	74.5	Confident	20 Å²	20	76.6 Å²	76.6	14%	0.135	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-62.6	153.4	175.1	-73.5	0	0	0	0	111.6	T307 G309 C314	C303-T307 WeakPolarHBondContact CB-OG1 2.95Å; C303-G309 VanDerWaalsContact SG-CA 3.57Å; C303-C314 VanDerWaalsContact CA-SG 3.53Å; C303-C314 HydrophobicContact CB-CB 3.75Å; C303-C314 WeakPolarHBondContact CB-SG 3.36Å; C303-C314 VanDerWaalsContact SG-CA 3.59Å; C303-C314 WeakPolarHBondContact SG-CB 3.23Å; C303-C314 CovalentContact SG-SG 2.03Å; C303-C314 PolarHBondContact SG-SG 2.95Å
304	P	79.5	Confident	75.5	Confident	38 Å²	38	68.4 Å²	68.4	25%	0.247	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-57.6	152.8	177.1	-23.2	34.9	0	0	0	112.3	Y284 V287 G306 T307	Y284-P304 HydrophobicContact CD1-CG 4.29Å; Y284-P304 HydrophobicContact CE1-CG 4.46Å; V287-P304 HydrophobicContact CG2-CG 4.09Å; P304-G306 PolarHBondContact O-N 2.89Å; P304-T307 WeakPolarHBondContact CD-OG1 3.06Å; P304-T307 PolarHBondContact O-N 2.98Å; P304-T307 PolarHBondContact O-OG1 3.04Å
305	P	74.6	Confident	76.2	Confident	106 Å²	106	69.6 Å²	69.6	69%	0.688	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	138.9	176.1	-24.6	33.5	0	0	0	111.9	T307	P305-T307 VanDerWaalsContact C-N 3.32Å
306	G	72.7	Confident	77.6	Confident	7 Å²	7	61.8 Å²	61.8	7%	0.072	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.8	0.2	-173.9	0	0	0	0	0	115	P304 V317	P304-G306 PolarHBondContact O-N 2.89Å; G306-V317 WeakPolarHBondContact O-CB 3.35Å; G306-V317 PolarHBondContact O-N 2.93Å
307	T	80.6	Confident	78.8	Confident	24 Å²	24	59.8 Å²	59.8	15%	0.147	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	150.5	178.3	70.2	0	0	0	0	112.1	C303 P304 P305 R315	C303-T307 WeakPolarHBondContact CB-OG1 2.95Å; P304-T307 WeakPolarHBondContact CD-OG1 3.06Å; P304-T307 PolarHBondContact O-N 2.98Å; P304-T307 PolarHBondContact O-OG1 3.04Å; P305-T307 VanDerWaalsContact C-N 3.32Å; T307-R315 CarbonylContact C-O 3.2Å; T307-R315 VanDerWaalsContact CA-O 3.26Å; T307-R315 WeakPolarHBondContact CA-O 3.37Å; T307-R315 WeakPolarHBondContact CB-O 3.45Å
308	T	79.6	Confident	79.4	Confident	66 Å²	66	63 Å²	63	41%	0.405	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	144.2	-178.8	-168.2	0	0	0	0	111.5	R315 V317	T308-R315 HydrophobicContact CG2-CG 3.79Å; T308-R315 PolarHBondContact N-O 3Å; T308-R315 WeakPolarHBondContact O-CG 3.21Å; T308-R315 PolarHBondContact O-N 3.39Å; T308-V317 HydrophobicContact CG2-CG2 3.69Å
309	G	80.2	Confident	80	Confident	47 Å²	47	60 Å²	60	49%	0.485	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	161.4	-169.6	-177.7	0	0	0	0	0	114	C303 H313	C303-G309 VanDerWaalsContact SG-CA 3.57Å; G309-H313 WeakPolarHBondContact CA-O 3.26Å
310	N	79.1	Confident	80.3	Confident	111 Å²	111	57.9 Å²	57.9	59%	0.594	32%	0.322	S	S	*	.	S	Bend	trans	-96.5	17.5	-176.6	68.3	-3	0	0	0	113.3	T312 H313	N310-T312 VanDerWaalsContact CG-OG1 3.3Å; N310-T312 PolarHBondContact ND2-OG1 3.45Å; N310-T312 PolarHBondContact O-N 2.99Å; N310-T312 VanDerWaalsContact O-N 3.11Å; N310-T312 PolarHBondContact OD1-N 2.04Å; N310-T312 PolarHBondContact OD1-OG1 2.75Å; N310-H313 PolarHBondContact N-O 2.89Å; N310-H313 PolarHBondContact OD1-N 3Å; N310-H313 PolarHBondContact OD1-O 3.26Å
311	G	74.1	Confident	80.4	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	35%	0.349	C	S	.	.	S	Bend	trans	77.3	-16.6	-179.4	0	0	0	0	0	115.7	Y284 C300 G301	Y284-G311 PolarHBondContact N-O 2.91Å; C300-G311 WeakPolarHBondContact CB-O 3.41Å; G301-G311 VanDerWaalsContact O-CA 3.3Å; G301-G311 WeakPolarHBondContact O-CA 3.45Å
312	T	77.2	Confident	80.6	Confident	39 Å²	39	66.8 Å²	66.8	24%	0.239	36%	0.357	C	S	.	.	S	Bend	trans	-98.4	-38.1	170.7	48.9	0	0	0	0	111.7	Y298 C300 N310	Y298-T312 HydrophobicContact CE2-CG2 3.99Å; C300-T312 HydrophobicContact CB-CG2 4.27Å; C300-T312 WeakPolarHBondContact SG-CG2 3.29Å; N310-T312 VanDerWaalsContact CG-OG1 3.3Å; N310-T312 PolarHBondContact ND2-OG1 3.45Å; N310-T312 PolarHBondContact O-N 2.99Å; N310-T312 VanDerWaalsContact O-N 3.11Å; N310-T312 PolarHBondContact OD1-N 2.04Å; N310-T312 PolarHBondContact OD1-OG1 2.75Å
313	H	78.3	Confident	80.7	Confident	150 Å²	150	63.4 Å²	63.4	69%	0.694	34%	0.341	S	S	*	.	S	Bend	trans	-123.2	110.6	170.5	-75.5	-87.4	0	0	0	109.1	G309 N310	G309-H313 WeakPolarHBondContact CA-O 3.26Å; N310-H313 PolarHBondContact N-O 2.89Å; N310-H313 PolarHBondContact OD1-N 3Å; N310-H313 PolarHBondContact OD1-O 3.26Å
314	C	82.6	Confident	80.9	Confident	15 Å²	15	62.5 Å²	62.5	10%	0.101	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	134.4	173.8	-56.3	0	0	0	0	108.7	Y284 C303	Y284-C314 HydrophobicContact CD1-CB 3.78Å; Y284-C314 HydrophobicContact CD2-CB 3.99Å; Y284-C314 HydrophobicContact CE1-CB 3.96Å; Y284-C314 HydrophobicContact CE2-CB 4.16Å; Y284-C314 HydrophobicContact CG-CB 3.8Å; C303-C314 VanDerWaalsContact CA-SG 3.53Å; C303-C314 HydrophobicContact CB-CB 3.75Å; C303-C314 WeakPolarHBondContact CB-SG 3.36Å; C303-C314 VanDerWaalsContact SG-CA 3.59Å; C303-C314 WeakPolarHBondContact SG-CB 3.23Å; C303-C314 CovalentContact SG-SG 2.03Å; C303-C314 PolarHBondContact SG-SG 2.95Å
315	R	81.5	Confident	81.3	Confident	185 Å²	185	61.2 Å²	61.2	70%	0.698	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.7	148.4	172.8	63.4	176.5	179.8	-179.1	3	109.3	T307 T308	T307-R315 CarbonylContact C-O 3.2Å; T307-R315 VanDerWaalsContact CA-O 3.26Å; T307-R315 WeakPolarHBondContact CA-O 3.37Å; T307-R315 WeakPolarHBondContact CB-O 3.45Å; T308-R315 HydrophobicContact CG2-CG 3.79Å; T308-R315 PolarHBondContact N-O 3Å; T308-R315 WeakPolarHBondContact O-CG 3.21Å; T308-R315 PolarHBondContact O-N 3.39Å
316	D	82.9	Confident	81.7	Confident	55 Å²	55	61.7 Å²	61.7	29%	0.294	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	145.7	175.4	-171.5	58.9	0	0	0	112	N333 G336	D316-N333 PolarHBondContact OD2-ND2 3.11Å; D316-G336 PolarHBondContact OD1-N 2.8Å
317	V	83.8	Confident	82.2	Confident	26 Å²	26	63.5 Å²	63.5	16%	0.158	33%	0.327	C	S	.	.			trans	-105.2	123.3	175.8	173.6	0	0	0	0	107.6	G306 T308 E319 L357	G306-V317 WeakPolarHBondContact O-CB 3.35Å; G306-V317 PolarHBondContact O-N 2.93Å; T308-V317 HydrophobicContact CG2-CG2 3.69Å; V317-E319 PolarHBondContact O-N 2.92Å; V317-E319 VanDerWaalsContact O-N 3.11Å; V317-L357 HydrophobicContact CG1-CD1 3.53Å; V317-L357 HydrophobicContact CG1-CD2 3.99Å; V317-L357 HydrophobicContact CG1-CG 3.58Å
318	D	83.3	Confident	82.1	Confident	68 Å²	68	65.8 Å²	65.8	36%	0.364	34%	0.342	S	S	.	.			trans	-79.8	97.2	179.1	-166.1	-22.9	0	0	0	110.5	C320 E321 N333	D318-C320 PolarHBondContact O-N 2.86Å; D318-C320 VanDerWaalsContact OD1-CB 3.22Å; D318-C320 WeakPolarHBondContact OD1-CB 3.34Å; D318-C320 PolarHBondContact OD1-N 3Å; D318-E321 HydrophobicContact CB-CG 4.41Å; D318-N333 WeakPolarHBondContact OD1-CB 3.15Å
319	E	87.9	Confident	82.2	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-72.6	-13.5	178.2	-62	96.3	169	0	0	113.5	V317 E321 L322 G337 F338 G356 L357 A360	V317-E319 PolarHBondContact O-N 2.92Å; V317-E319 VanDerWaalsContact O-N 3.11Å; E319-E321 PolarHBondContact O-N 3.04Å; E319-L322 PolarHBondContact O-N 2.95Å; E319-G337 WeakPolarHBondContact OE2-CA 3.47Å; E319-F338 HydrophobicContact CB-CB 4.22Å; E319-F338 HydrophobicContact CB-CD1 3.66Å; E319-F338 HydrophobicContact CB-CE1 4.39Å; E319-F338 HydrophobicContact CB-CG 4.12Å; E319-F338 HydrophobicContact CG-CD1 4.19Å; E319-G356 WeakPolarHBondContact OE1-CA 3.46Å; E319-G356 PolarHBondContact OE1-N 2.76Å; E319-L357 HydrophobicContact CG-CD2 4.43Å; E319-L357 HydrophobicContact CG-CG 4.43Å; E319-A360 HydrophobicContact CB-CB 3.79Å; E319-A360 HydrophobicContact CG-CB 4.28Å
320	C	85.6	Confident	82.3	Confident	23 Å²	23	67.5 Å²	67.5	16%	0.155	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-70.1	-17.1	178.7	-66.5	0	0	0	0	113.4	D318 L322 Q323 C331 I332 N333	D318-C320 PolarHBondContact O-N 2.86Å; D318-C320 VanDerWaalsContact OD1-CB 3.22Å; D318-C320 WeakPolarHBondContact OD1-CB 3.34Å; D318-C320 PolarHBondContact OD1-N 3Å; C320-L322 PolarHBondContact O-N 2.91Å; C320-Q323 PolarHBondContact O-N 3.45Å; C320-C331 WeakPolarHBondContact CA-SG 3.46Å; C320-C331 HydrophobicContact CB-CB 3.59Å; C320-C331 WeakPolarHBondContact CB-SG 3.2Å; C320-C331 WeakPolarHBondContact SG-CB 3.4Å; C320-C331 CovalentContact SG-SG 2.04Å; C320-C331 PolarHBondContact SG-SG 2.03Å; C320-I332 VanDerWaalsContact SG-C 3.57Å; C320-N333 PolarHBondContact SG-N 3.47Å; C320-N333 VanDerWaalsContact SG-N 3.4Å
321	E	84	Confident	82.7	Confident	161 Å²	161	63.1 Å²	63.1	75%	0.752	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-60.2	-23.9	171.4	-67.2	-169.9	166.2	0	0	112.6	D318 E319 Q323	D318-E321 HydrophobicContact CB-CG 4.41Å; E319-E321 PolarHBondContact O-N 3.04Å; E321-Q323 VanDerWaalsContact C-N 3.35Å
322	L	82.2	Confident	83.4	Confident	77 Å²	77	67.1 Å²	67.1	40%	0.403	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-87.6	0.2	177.3	-66.1	-178.7	0	0	0	114.1	E319 C320 L357 A360 K361	E319-L322 PolarHBondContact O-N 2.95Å; C320-L322 PolarHBondContact O-N 2.91Å; L322-L357 HydrophobicContact CD1-CB 4.34Å; L322-L357 HydrophobicContact CD1-CD2 3.56Å; L322-L357 HydrophobicContact CG-CD2 4.09Å; L322-A360 HydrophobicContact CD1-CB 4.45Å; L322-K361 HydrophobicContact CD1-CB 4.25Å
323	Q	84.6	Confident	83.8	Confident	113 Å²	113	67.7 Å²	67.7	53%	0.528	34%	0.339	S	S	.	.			trans	48.4	59.3	-178.5	-60.2	-179.9	-23.3	0	0	113.5	C320 E321 C325 P328	C320-Q323 PolarHBondContact O-N 3.45Å; E321-Q323 VanDerWaalsContact C-N 3.35Å; Q323-C325 VanDerWaalsContact C-N 3.26Å; Q323-C325 PolarHBondContact O-N 3.47Å; Q323-P328 HydrophobicContact CG-CB 4.41Å
324	P	84.9	Confident	84.1	Confident	1 Å²	1	63 Å²	63	1%	0.006	32%	0.321	C	S	.	.			trans	-73.4	-15.7	179.9	30.3	-35.5	0	0	0	113.7	F338 A360 K364 Q365	P324-F338 HydrophobicContact CB-CD2 4.4Å; P324-F338 HydrophobicContact CB-CE2 3.61Å; P324-F338 HydrophobicContact CB-CZ 3.79Å; P324-F338 HydrophobicContact CG-CD2 3.62Å; P324-F338 HydrophobicContact CG-CE2 3.31Å; P324-F338 HydrophobicContact CG-CG 4.34Å; P324-F338 HydrophobicContact CG-CZ 3.82Å; P324-A360 HydrophobicContact CB-CB 4.16Å; P324-A360 HydrophobicContact CG-CB 4.29Å; P324-K364 CarbonylContact O-C 3.53Å; P324-K364 VanDerWaalsContact O-CA 3.29Å; P324-K364 WeakPolarHBondContact O-CA 3.29Å; P324-Q365 PolarHBondContact O-N 2.83Å
325	C	87.1	Confident	83.9	Confident	11 Å²	11	70.5 Å²	70.5	7%	0.074	36%	0.355	C	S	.	.	S	Bend	trans	-94.4	163.1	-177	-49.1	0	0	0	0	112.4	Q323 S327 A330 C331 C340	Q323-C325 VanDerWaalsContact C-N 3.26Å; Q323-C325 PolarHBondContact O-N 3.47Å; C325-S327 PolarHBondContact O-N 2.82Å; C325-S327 VanDerWaalsContact O-N 3.14Å; C325-A330 HydrophobicContact CB-CB 4.06Å; C325-C331 HydrophobicContact CB-CB 4.24Å; C325-C331 WeakPolarHBondContact SG-CA 3.04Å; C325-C331 WeakPolarHBondContact SG-CB 3.1Å; C325-C331 VanDerWaalsContact SG-SG 3.66Å; C325-C340 WeakPolarHBondContact CA-SG 3.31Å; C325-C340 HydrophobicContact CB-CB 3.75Å; C325-C340 WeakPolarHBondContact CB-SG 3.41Å; C325-C340 WeakPolarHBondContact SG-CA 3.35Å; C325-C340 WeakPolarHBondContact SG-CB 3.32Å; C325-C340 CovalentContact SG-SG 2.02Å; C325-C340 PolarHBondContact SG-SG 3.04Å
326	Y	84.7	Confident	83.6	Confident	117 Å²	117	62.6 Å²	62.6	46%	0.459	33%	0.33	S	S	.	.	S	Bend	trans	-55.7	-34.7	-176.4	179.2	-103.1	0	0	0	113.5	P344 L347 Q365 C367	Y326-P344 HydrophobicContact CD1-CG 3.91Å; Y326-P344 HydrophobicContact CE1-CG 3.93Å; Y326-L347 HydrophobicContact CE1-CD1 3.92Å; Y326-Q365 VanDerWaalsContact N-OE1 3.16Å; Y326-C367 VanDerWaalsContact CB-SG 3.59Å; Y326-C367 HydrophobicContact CD2-CB 3.71Å; Y326-C367 HydrophobicContact CE2-CB 3.96Å; Y326-C367 HydrophobicContact CG-CB 4.08Å
327	S	82.1	Confident	83.8	Confident	44 Å²	44	60 Å²	60	31%	0.308	32%	0.317	S	S	.	.	S	Bend	trans	-128.3	150.6	170.2	63.4	0	0	0	0	111.3	C325 D329 A330	C325-S327 PolarHBondContact O-N 2.82Å; C325-S327 VanDerWaalsContact O-N 3.14Å; S327-D329 PolarHBondContact O-N 3.3Å; S327-A330 WeakPolarHBondContact O-CB 3.32Å; S327-A330 PolarHBondContact O-N 3.06Å; S327-A330 WeakPolarHBondContact OG-CB 3.49Å
328	P	77.7	Confident	84	Confident	73 Å²	73	58.9 Å²	58.9	47%	0.474	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-57.3	-34.6	-179.4	-25.4	34.5	0	0	0	113.7	Q323 A330	Q323-P328 HydrophobicContact CG-CB 4.41Å; P328-A330 VanDerWaalsContact C-N 3.27Å; P328-A330 PolarHBondContact O-N 3.15Å
329	D	82.1	Confident	84.3	Confident	140 Å²	140	59.6 Å²	59.6	75%	0.749	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-81.7	-4.6	-178.6	-58	-40.9	0	0	0	113.5	S327 K341	S327-D329 PolarHBondContact O-N 3.3Å; D329-K341 PolarHBondContact O-NZ 2.87Å
330	A	83.7	Confident	84.3	Confident	8 Å²	8	60 Å²	60	7%	0.066	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-88.6	-12.9	178.7	0	0	0	0	0	113.5	C325 S327 P328 K341	C325-A330 HydrophobicContact CB-CB 4.06Å; S327-A330 WeakPolarHBondContact O-CB 3.32Å; S327-A330 PolarHBondContact O-N 3.06Å; S327-A330 WeakPolarHBondContact OG-CB 3.49Å; P328-A330 VanDerWaalsContact C-N 3.27Å; P328-A330 PolarHBondContact O-N 3.15Å; A330-K341 HydrophobicContact CB-CB 4.1Å; A330-K341 WeakPolarHBondContact O-CG 3.2Å; A330-K341 PolarHBondContact O-N 2.83Å
331	C	87.7	Confident	84.4	Confident	20 Å²	20	63.5 Å²	63.5	14%	0.135	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	130.8	179.6	-165.3	0	0	0	0	111.9	C320 C325	C320-C331 WeakPolarHBondContact CA-SG 3.46Å; C320-C331 HydrophobicContact CB-CB 3.59Å; C320-C331 WeakPolarHBondContact CB-SG 3.2Å; C320-C331 WeakPolarHBondContact SG-CB 3.4Å; C320-C331 CovalentContact SG-SG 2.04Å; C320-C331 PolarHBondContact SG-SG 2.03Å; C325-C331 HydrophobicContact CB-CB 4.24Å; C325-C331 WeakPolarHBondContact SG-CA 3.04Å; C325-C331 WeakPolarHBondContact SG-CB 3.1Å; C325-C331 VanDerWaalsContact SG-SG 3.66Å
332	I	88.6	Confident	84.4	Confident	83 Å²	83	61.2 Å²	61.2	43%	0.426	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	114.9	174	-55.4	175.6	0	0	0	108	C320 T334 I339 K341	C320-I332 VanDerWaalsContact SG-C 3.57Å; I332-T334 HydrophobicContact CG2-CG2 4.5Å; I332-I339 PolarHBondContact N-O 3.15Å; I332-I339 PolarHBondContact O-N 3.19Å; I332-K341 HydrophobicContact CD1-CG 3.97Å; I332-K341 HydrophobicContact CG1-CG 4.36Å
333	N	85.6	Confident	84.6	Confident	51 Å²	51	58.5 Å²	58.5	27%	0.273	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	135.2	174	-173.1	36.4	0	0	0	110.6	D316 D318 C320 G337	D316-N333 PolarHBondContact OD2-ND2 3.11Å; D318-N333 WeakPolarHBondContact OD1-CB 3.15Å; C320-N333 PolarHBondContact SG-N 3.47Å; C320-N333 VanDerWaalsContact SG-N 3.4Å; N333-G337 PolarHBondContact OD1-O 3.36Å
334	T	84.1	Confident	84.6	Confident	51 Å²	51	55.6 Å²	55.6	31%	0.313	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	156.4	-177.1	58.7	0	0	0	0	110.4	I332 G336 G337 I339	I332-T334 HydrophobicContact CG2-CG2 4.5Å; T334-G336 PolarHBondContact O-N 2.82Å; T334-G337 CarbonylContact C-O 3.48Å; T334-G337 VanDerWaalsContact C-O 3.31Å; T334-G337 VanDerWaalsContact CA-O 3.29Å; T334-G337 WeakPolarHBondContact CA-O 3.42Å; T334-G337 WeakPolarHBondContact CB-O 3.11Å; T334-G337 PolarHBondContact N-O 3.21Å; T334-G337 PolarHBondContact O-N 3.4Å; T334-G337 PolarHBondContact OG1-O 2.84Å; T334-I339 HydrophobicContact CG2-CD1 4.07Å; T334-I339 HydrophobicContact CG2-CG1 4.15Å
335	E	79	Confident	84.3	Confident	174 Å²	174	61.6 Å²	61.6	81%	0.813	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	106.4	-178.2	-169.1	177.3	-174.1	0	0	111
336	G	75	Confident	83.7	Confident	18 Å²	18	61.8 Å²	61.8	19%	0.186	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.7	8.8	-177.5	0	0	0	0	0	116	D316 T334 T355	D316-G336 PolarHBondContact OD1-N 2.8Å; T334-G336 PolarHBondContact O-N 2.82Å; G336-T355 WeakPolarHBondContact O-CB 3.46Å; G336-T355 WeakPolarHBondContact O-CG2 3.37Å
337	G	86.3	Confident	83.7	Confident	2 Å²	2	57.1 Å²	57.1	2%	0.021	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.7	-162.9	176.2	0	0	0	0	0	114.1	E319 N333 T334 G354	E319-G337 WeakPolarHBondContact OE2-CA 3.47Å; N333-G337 PolarHBondContact OD1-O 3.36Å; T334-G337 CarbonylContact C-O 3.48Å; T334-G337 VanDerWaalsContact C-O 3.31Å; T334-G337 VanDerWaalsContact CA-O 3.29Å; T334-G337 WeakPolarHBondContact CA-O 3.42Å; T334-G337 WeakPolarHBondContact CB-O 3.11Å; T334-G337 PolarHBondContact N-O 3.21Å; T334-G337 PolarHBondContact O-N 3.4Å; T334-G337 PolarHBondContact OG1-O 2.84Å; G337-G354 CarbonylContact C-O 3.48Å; G337-G354 WeakPolarHBondContact CA-O 3.12Å
338	F	88.2	Confident	83.7	Confident	2 Å²	2	63.1 Å²	63.1	1%	0.009	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	158.3	-179.1	75.1	-77.1	0	0	0	112.8	E319 P324 L352 A353 G354 Y359 A360	E319-F338 HydrophobicContact CB-CB 4.22Å; E319-F338 HydrophobicContact CB-CD1 3.66Å; E319-F338 HydrophobicContact CB-CE1 4.39Å; E319-F338 HydrophobicContact CB-CG 4.12Å; E319-F338 HydrophobicContact CG-CD1 4.19Å; P324-F338 HydrophobicContact CB-CD2 4.4Å; P324-F338 HydrophobicContact CB-CE2 3.61Å; P324-F338 HydrophobicContact CB-CZ 3.79Å; P324-F338 HydrophobicContact CG-CD2 3.62Å; P324-F338 HydrophobicContact CG-CE2 3.31Å; P324-F338 HydrophobicContact CG-CG 4.34Å; P324-F338 HydrophobicContact CG-CZ 3.82Å; F338-L352 HydrophobicContact CE2-CD2 4.26Å; F338-L352 HydrophobicContact CE2-CG 4.32Å; F338-L352 HydrophobicContact CZ-CD2 4.4Å; F338-L352 HydrophobicContact CZ-CG 4.43Å; F338-A353 WeakPolarHBondContact O-CA 3.33Å; F338-G354 WeakPolarHBondContact CD1-O 3.42Å; F338-G354 PolarHBondContact N-O 3.23Å; F338-G354 PolarHBondContact O-N 2.97Å; F338-G354 VanDerWaalsContact O-N 3.14Å; F338-Y359 HydrophobicContact CE1-CD1 4.32Å; F338-Y359 HydrophobicContact CZ-CD1 4.47Å; F338-A360 HydrophobicContact CD1-CB 4.21Å; F338-A360 HydrophobicContact CE1-CB 3.6Å; F338-A360 HydrophobicContact CZ-CB 4Å
339	I	88.7	Confident	83.9	Confident	83 Å²	83	60.4 Å²	60.4	43%	0.426	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	129.4	174.1	-56.3	177.6	0	0	0	109.1	I332 T334 A353	I332-I339 PolarHBondContact N-O 3.15Å; I332-I339 PolarHBondContact O-N 3.19Å; T334-I339 HydrophobicContact CG2-CD1 4.07Å; T334-I339 HydrophobicContact CG2-CG1 4.15Å; I339-A353 HydrophobicContact CG1-CB 4.07Å
340	C	89.3	Confident	83.7	Confident	7 Å²	7	56.8 Å²	56.8	5%	0.047	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	140.5	169.9	-65	0	0	0	0	111.2	C325 L352	C325-C340 WeakPolarHBondContact CA-SG 3.31Å; C325-C340 HydrophobicContact CB-CB 3.75Å; C325-C340 WeakPolarHBondContact CB-SG 3.41Å; C325-C340 WeakPolarHBondContact SG-CA 3.35Å; C325-C340 WeakPolarHBondContact SG-CB 3.32Å; C325-C340 CovalentContact SG-SG 2.02Å; C325-C340 PolarHBondContact SG-SG 3.04Å; C340-L352 HydrophobicContact CB-CB 4.24Å; C340-L352 PolarHBondContact N-O 3.16Å
341	K	86.8	Confident	83.5	Confident	98 Å²	98	62.2 Å²	62.2	43%	0.426	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-62.4	155.9	166.1	-69.4	178.5	-165.7	154.4	0	110.2	D329 A330 I332 Q365	D329-K341 PolarHBondContact O-NZ 2.87Å; A330-K341 HydrophobicContact CB-CB 4.1Å; A330-K341 WeakPolarHBondContact O-CG 3.2Å; A330-K341 PolarHBondContact O-N 2.83Å; I332-K341 HydrophobicContact CD1-CG 3.97Å; I332-K341 HydrophobicContact CG1-CG 4.36Å; K341-Q365 PolarHBondContact O-NE2 2.79Å
342	P	84.7	Confident	83.3	Confident	113 Å²	113	62.3 Å²	62.3	73%	0.734	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-54.8	156.1	171.9	-23	33.2	0	0	0	112.1
343	C	85.8	Confident	83.2	Confident	20 Å²	20	61.1 Å²	61.1	14%	0.135	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-55.9	149.7	174.6	-68.1	0	0	0	0	111.2	L347 G349 C367	C343-L347 HydrophobicContact CB-CB 4.2Å; C343-L347 WeakPolarHBondContact CB-O 3.35Å; C343-G349 VanDerWaalsContact SG-CA 3.57Å; C343-G349 PolarHBondContact SG-N 2.98Å; C343-C367 HydrophobicContact CB-CB 3.87Å; C343-C367 WeakPolarHBondContact CB-SG 3.34Å; C343-C367 WeakPolarHBondContact SG-CB 3.48Å; C343-C367 CovalentContact SG-SG 2.04Å; C343-C367 PolarHBondContact SG-SG 3.45Å
344	P	84.1	Confident	83.1	Confident	51 Å²	51	59.2 Å²	59.2	33%	0.331	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-54.2	153.3	173.9	-23.6	33.4	0	0	0	112.1	Y326 G346 L347	Y326-P344 HydrophobicContact CD1-CG 3.91Å; Y326-P344 HydrophobicContact CE1-CG 3.93Å; P344-G346 PolarHBondContact O-N 2.86Å; P344-L347 HydrophobicContact CB-CD1 4.44Å; P344-L347 HydrophobicContact CG-CD1 4.33Å; P344-L347 PolarHBondContact O-N 2.93Å
345	P	79.3	Confident	83.1	Confident	127 Å²	127	60.9 Å²	60.9	83%	0.825	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	137	174.3	-23.7	33.3	0	0	0	111.7	L347	P345-L347 VanDerWaalsContact C-N 3.34Å
346	G	74.3	Confident	83.1	Confident	16 Å²	16	53.3 Å²	53.3	17%	0.165	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.5	-6.3	-175.1	0	0	0	0	0	114.7	P344 I370	P344-G346 PolarHBondContact O-N 2.86Å; G346-I370 PolarHBondContact O-N 3.08Å; G346-I370 VanDerWaalsContact O-N 3.11Å
347	L	84.4	Confident	83.2	Confident	18 Å²	18	56.1 Å²	56.1	9%	0.094	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	142	174.5	-57.4	171.1	0	0	0	110	Y326 C343 P344 P345 C367 V368 D369 V390	Y326-L347 HydrophobicContact CE1-CD1 3.92Å; C343-L347 HydrophobicContact CB-CB 4.2Å; C343-L347 WeakPolarHBondContact CB-O 3.35Å; P344-L347 HydrophobicContact CB-CD1 4.44Å; P344-L347 HydrophobicContact CG-CD1 4.33Å; P344-L347 PolarHBondContact O-N 2.93Å; P345-L347 VanDerWaalsContact C-N 3.34Å; L347-C367 HydrophobicContact CB-CB 4.03Å; L347-C367 HydrophobicContact CD1-CB 4.28Å; L347-V368 CarbonylContact C-O 3.52Å; L347-V368 VanDerWaalsContact CA-O 3.28Å; L347-V368 WeakPolarHBondContact CA-O 3.23Å; L347-D369 HydrophobicContact CD2-CB 4.2Å; L347-V390 HydrophobicContact CD2-CG1 4.33Å
348	W	82.1	Confident	82.9	Confident	171 Å²	171	62.5 Å²	62.5	65%	0.648	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.4	144.2	175.4	-176.1	86.3	0	0	0	111.5	C367 V368 I370	W348-C367 CarbonylContact O-C 3.48Å; W348-C367 WeakPolarHBondContact O-CA 3.3Å; W348-V368 HydrophobicContact CE3-CG2 4.04Å; W348-V368 PolarHBondContact N-O 2.65Å; W348-V368 VanDerWaalsContact O-CG2 3.31Å; W348-V368 WeakPolarHBondContact O-CG2 3.38Å; W348-V368 PolarHBondContact O-N 2.91Å; W348-I370 HydrophobicContact CB-CD1 3.94Å; W348-I370 HydrophobicContact CB-CG1 3.72Å
349	G	81.3	Confident	82.6	Confident	16 Å²	16	66.8 Å²	66.8	17%	0.165	39%	0.39	C	S	.	.			trans	-169.4	148	174.4	0	0	0	0	0	110.6	C343	C343-G349 VanDerWaalsContact SG-CA 3.57Å; C343-G349 PolarHBondContact SG-N 2.98Å
350	A	78.3	Confident	82.2	Confident	64 Å²	64	62.9 Å²	62.9	53%	0.529	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-62.2	141.9	-179.8	0	0	0	0	0	111	L352	A350-L352 PolarHBondContact O-N 2.6Å
351	P	79.6	Confident	81.8	Confident	122 Å²	122	69.7 Å²	69.7	79%	0.792	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-65.2	124.1	177.4	26.6	-33.1	0	0	0	110.2
352	L	84.5	Confident	81.5	Confident	22 Å²	22	69.9 Å²	69.9	12%	0.115	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-100.6	121.1	179.9	-177.2	65.8	0	0	0	110.8	F338 C340 A350 Y359 H363 Q365	F338-L352 HydrophobicContact CE2-CD2 4.26Å; F338-L352 HydrophobicContact CE2-CG 4.32Å; F338-L352 HydrophobicContact CZ-CD2 4.4Å; F338-L352 HydrophobicContact CZ-CG 4.43Å; C340-L352 HydrophobicContact CB-CB 4.24Å; C340-L352 PolarHBondContact N-O 3.16Å; A350-L352 PolarHBondContact O-N 2.6Å; L352-Y359 HydrophobicContact CD1-CE1 4.09Å; L352-H363 HydrophobicContact CD1-CB 4.19Å; L352-H363 WeakPolarHBondContact CD2-O 3.32Å; L352-Q365 HydrophobicContact CB-CB 4.28Å; L352-Q365 HydrophobicContact CD2-CB 4.02Å
353	A	86.3	Confident	81.3	Confident	57 Å²	57	68.7 Å²	68.7	47%	0.471	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	140.9	170.3	0	0	0	0	0	109.3	F338 I339	F338-A353 WeakPolarHBondContact O-CA 3.33Å; I339-A353 HydrophobicContact CG1-CB 4.07Å
354	G	83.9	Confident	81.2	Confident	12 Å²	12	74.3 Å²	74.3	12%	0.124	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	169.6	-174.7	0	0	0	0	0	113	G337 F338	G337-G354 CarbonylContact C-O 3.48Å; G337-G354 WeakPolarHBondContact CA-O 3.12Å; F338-G354 WeakPolarHBondContact CD1-O 3.42Å; F338-G354 PolarHBondContact N-O 3.23Å; F338-G354 PolarHBondContact O-N 2.97Å; F338-G354 VanDerWaalsContact O-N 3.14Å
355	T	82.8	Confident	81.2	Confident	86 Å²	86	72.5 Å²	72.5	53%	0.528	40%	0.403	S	S	.	.			trans	-125.8	130.5	-177.2	58.2	0	0	0	0	110.3	G336	G336-T355 WeakPolarHBondContact O-CB 3.46Å; G336-T355 WeakPolarHBondContact O-CG2 3.37Å
356	G	79.4	Confident	81.4	Confident	15 Å²	15	74 Å²	74	16%	0.155	40%	0.398	C	S	.	.	S	Bend	trans	86.3	151.7	177.7	0	0	0	0	0	115.5	E319 D358 Y359 A360	E319-G356 WeakPolarHBondContact OE1-CA 3.46Å; E319-G356 PolarHBondContact OE1-N 2.76Å; G356-D358 VanDerWaalsContact C-N 3.33Å; G356-D358 PolarHBondContact O-N 3.44Å; G356-Y359 PolarHBondContact O-N 3.3Å; G356-A360 PolarHBondContact O-N 3.14Å
357	L	78.1	Confident	81.9	Confident	76 Å²	76	74.2 Å²	74.2	40%	0.398	40%	0.397	S	S	.	.	H	α-helix	trans	-61.2	-34.2	-174.9	-74	158.7	0	0	0	114.2	V317 E319 L322 Y359 A360 K361	V317-L357 HydrophobicContact CG1-CD1 3.53Å; V317-L357 HydrophobicContact CG1-CD2 3.99Å; V317-L357 HydrophobicContact CG1-CG 3.58Å; E319-L357 HydrophobicContact CG-CD2 4.43Å; E319-L357 HydrophobicContact CG-CG 4.43Å; L322-L357 HydrophobicContact CD1-CB 4.34Å; L322-L357 HydrophobicContact CD1-CD2 3.56Å; L322-L357 HydrophobicContact CG-CD2 4.09Å; L357-Y359 VanDerWaalsContact C-N 3.32Å; L357-Y359 PolarHBondContact O-N 3.42Å; L357-A360 PolarHBondContact O-N 2.89Å; L357-K361 VanDerWaalsContact O-CB 3.31Å; L357-K361 WeakPolarHBondContact O-CB 3.36Å; L357-K361 PolarHBondContact O-N 3.36Å
358	D	80.1	Confident	81.9	Confident	137 Å²	137	77.3 Å²	77.3	73%	0.733	42%	0.417	S	S	*	.	H	α-helix	trans	-68.5	-34.7	-178.8	-68.1	-37.6	0	0	0	111.8	G356 T362	G356-D358 VanDerWaalsContact C-N 3.33Å; G356-D358 PolarHBondContact O-N 3.44Å; D358-T362 WeakPolarHBondContact O-CG2 3.27Å; D358-T362 PolarHBondContact O-N 3.41Å; D358-T362 PolarHBondContact O-OG1 3.06Å
359	Y	81.6	Confident	81.9	Confident	91 Å²	91	71.6 Å²	71.6	36%	0.357	40%	0.399	S	S	.	.	H	α-helix	trans	-70.6	-47.7	175.8	-166.8	-91.9	0	0	0	110.7	F338 L352 G356 L357 K361 T362 H363	F338-Y359 HydrophobicContact CE1-CD1 4.32Å; F338-Y359 HydrophobicContact CZ-CD1 4.47Å; L352-Y359 HydrophobicContact CD1-CE1 4.09Å; G356-Y359 PolarHBondContact O-N 3.3Å; L357-Y359 VanDerWaalsContact C-N 3.32Å; L357-Y359 PolarHBondContact O-N 3.42Å; Y359-K361 PolarHBondContact O-N 2.97Å; Y359-T362 PolarHBondContact O-N 3.27Å; Y359-T362 PolarHBondContact O-OG1 2.83Å; Y359-H363 HydrophobicContact CD1-CB 4.42Å; Y359-H363 AromaticContact CD2-ND1 3.82Å; Y359-H363 HydrophobicContact CE1-CB 4.1Å; Y359-H363 AromaticContact CE2-CE1 3.9Å; Y359-H363 AromaticContact CE2-ND1 3.78Å; Y359-H363 AromaticContact CZ-CG 3.95Å; Y359-H363 PolarHBondContact O-N 3.15Å
360	A	79.8	Confident	81.9	Confident	1 Å²	1	73.2 Å²	73.2	1%	0.008	40%	0.403	C	S	.	.	H	α-helix	trans	-60.1	-28	176	0	0	0	0	0	113.5	E319 L322 P324 F338 G356 L357	E319-A360 HydrophobicContact CB-CB 3.79Å; E319-A360 HydrophobicContact CG-CB 4.28Å; L322-A360 HydrophobicContact CD1-CB 4.45Å; P324-A360 HydrophobicContact CB-CB 4.16Å; P324-A360 HydrophobicContact CG-CB 4.29Å; F338-A360 HydrophobicContact CD1-CB 4.21Å; F338-A360 HydrophobicContact CE1-CB 3.6Å; F338-A360 HydrophobicContact CZ-CB 4Å; G356-A360 PolarHBondContact O-N 3.14Å; L357-A360 PolarHBondContact O-N 2.89Å
361	K	80.4	Confident	81.9	Confident	151 Å²	151	72.9 Å²	72.9	66%	0.657	39%	0.392	S	S	*	.	H	α-helix	trans	-78.8	-30.7	178.5	-169.8	175	-179.7	-178.1	0	113.6	L322 L357 Y359	L322-K361 HydrophobicContact CD1-CB 4.25Å; L357-K361 VanDerWaalsContact O-CB 3.31Å; L357-K361 WeakPolarHBondContact O-CB 3.36Å; L357-K361 PolarHBondContact O-N 3.36Å; Y359-K361 PolarHBondContact O-N 2.97Å
362	T	80.8	Confident	82.2	Confident	101 Å²	101	67.9 Å²	67.9	62%	0.62	36%	0.359	S	S	*	.	H	α-helix	trans	-100.3	-26.4	-171.7	48.7	0	0	0	0	113.2	D358 Y359	D358-T362 WeakPolarHBondContact O-CG2 3.27Å; D358-T362 PolarHBondContact O-N 3.41Å; D358-T362 PolarHBondContact O-OG1 3.06Å; Y359-T362 PolarHBondContact O-N 3.27Å; Y359-T362 PolarHBondContact O-OG1 2.83Å
363	H	81.5	Confident	81.9	Confident	89 Å²	89	68.8 Å²	68.8	41%	0.412	37%	0.366	S	S	.	.			trans	-115.5	108.7	-178.1	-61.6	75.5	0	0	0	108.9	L352 Y359	L352-H363 HydrophobicContact CD1-CB 4.19Å; L352-H363 WeakPolarHBondContact CD2-O 3.32Å; Y359-H363 HydrophobicContact CD1-CB 4.42Å; Y359-H363 AromaticContact CD2-ND1 3.82Å; Y359-H363 HydrophobicContact CE1-CB 4.1Å; Y359-H363 AromaticContact CE2-CE1 3.9Å; Y359-H363 AromaticContact CE2-ND1 3.78Å; Y359-H363 AromaticContact CZ-CG 3.95Å; Y359-H363 PolarHBondContact O-N 3.15Å
364	K	83.3	Confident	81.4	Confident	138 Å²	138	71.5 Å²	71.5	60%	0.6	38%	0.377	S	S	*	.			trans	-105	146.3	175.3	-66.8	-172.2	176.3	-170.1	0	109.9	P324 E366	P324-K364 CarbonylContact O-C 3.53Å; P324-K364 VanDerWaalsContact O-CA 3.29Å; P324-K364 WeakPolarHBondContact O-CA 3.29Å; K364-E366 PolarHBondContact O-N 3.21Å
365	Q	83.7	Confident	81	Confident	13 Å²	13	76.6 Å²	76.6	6%	0.061	40%	0.401	C	S	.	.			trans	-71.9	111.3	175.1	-175	-178.3	28.7	0	0	109.2	P324 Y326 K341 L352	P324-Q365 PolarHBondContact O-N 2.83Å; Y326-Q365 VanDerWaalsContact N-OE1 3.16Å; K341-Q365 PolarHBondContact O-NE2 2.79Å; L352-Q365 HydrophobicContact CB-CB 4.28Å; L352-Q365 HydrophobicContact CD2-CB 4.02Å
366	E	83.7	Confident	80.6	Confident	158 Å²	158	77.1 Å²	77.1	74%	0.738	40%	0.4	S	S	*	.			trans	-91.7	124.7	171.3	-68.2	-179.9	176	0	0	108.8	K364	K364-E366 PolarHBondContact O-N 3.21Å
367	C	84.4	Confident	79.6	Confident	20 Å²	20	81.7 Å²	81.7	14%	0.135	43%	0.43	C	S	.	.			trans	-112.1	118.1	172.7	-62.6	0	0	0	0	107	Y326 C343 L347 W348	Y326-C367 VanDerWaalsContact CB-SG 3.59Å; Y326-C367 HydrophobicContact CD2-CB 3.71Å; Y326-C367 HydrophobicContact CE2-CB 3.96Å; Y326-C367 HydrophobicContact CG-CB 4.08Å; C343-C367 HydrophobicContact CB-CB 3.87Å; C343-C367 WeakPolarHBondContact CB-SG 3.34Å; C343-C367 WeakPolarHBondContact SG-CB 3.48Å; C343-C367 CovalentContact SG-SG 2.04Å; C343-C367 PolarHBondContact SG-SG 3.45Å; L347-C367 HydrophobicContact CB-CB 4.03Å; L347-C367 HydrophobicContact CD1-CB 4.28Å; W348-C367 CarbonylContact O-C 3.48Å; W348-C367 WeakPolarHBondContact O-CA 3.3Å
368	V	83.6	Confident	79.2	Confident	84 Å²	84	85 Å²	85	51%	0.509	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	152.5	174.5	-66.4	0	0	0	0	109.7	L347 W348	L347-V368 CarbonylContact C-O 3.52Å; L347-V368 VanDerWaalsContact CA-O 3.28Å; L347-V368 WeakPolarHBondContact CA-O 3.23Å; W348-V368 HydrophobicContact CE3-CG2 4.04Å; W348-V368 PolarHBondContact N-O 2.65Å; W348-V368 VanDerWaalsContact O-CG2 3.31Å; W348-V368 WeakPolarHBondContact O-CG2 3.38Å; W348-V368 PolarHBondContact O-N 2.91Å
369	D	83.1	Confident	78.8	Confident	50 Å²	50	79.1 Å²	79.1	27%	0.267	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	138.5	177.1	-166.6	44.3	0	0	0	111.4	L347 N388 G391	L347-D369 HydrophobicContact CD2-CB 4.2Å; D369-N388 PolarHBondContact OD2-ND2 2.93Å; D369-N388 PolarHBondContact OD2-OD1 3.08Å; D369-G391 WeakPolarHBondContact OD1-CA 3.3Å; D369-G391 PolarHBondContact OD1-N 3.08Å
370	I	80.7	Confident	78.8	Confident	50 Å²	50	75.8 Å²	75.8	26%	0.256	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-88.6	116.7	170.9	-59.8	174.4	0	0	0	106	G346 W348 E372 D375	G346-I370 PolarHBondContact O-N 3.08Å; G346-I370 VanDerWaalsContact O-N 3.11Å; W348-I370 HydrophobicContact CB-CD1 3.94Å; W348-I370 HydrophobicContact CB-CG1 3.72Å; I370-E372 VanDerWaalsContact C-N 3.3Å; I370-E372 HydrophobicContact CG2-CG 4.2Å; I370-E372 PolarHBondContact O-N 3.27Å; I370-D375 HydrophobicContact CG2-CB 4.49Å
371	D	79.1	Confident	78.7	Confident	57 Å²	57	76.6 Å²	76.6	31%	0.305	42%	0.415	S	S	.	.			trans	-75.9	90	173.8	-161.6	-36.7	0	0	0	109.7	C373 V374 D375 N388	D371-C373 PolarHBondContact O-N 2.8Å; D371-C373 VanDerWaalsContact OD1-CB 3.23Å; D371-C373 WeakPolarHBondContact OD1-CB 3.44Å; D371-C373 PolarHBondContact OD1-N 2.86Å; D371-V374 HydrophobicContact CB-CB 4.43Å; D371-V374 HydrophobicContact CB-CG2 4.34Å; D371-V374 PolarHBondContact O-N 3.13Å; D371-V374 PolarHBondContact OD1-N 3.27Å; D371-D375 PolarHBondContact O-N 2.72Å; D371-N388 VanDerWaalsContact CG-ND2 3.33Å; D371-N388 PolarHBondContact OD2-ND2 3.06Å
372	E	85.6	Confident	78.2	Confident	18 Å²	18	73.5 Å²	73.5	8%	0.084	41%	0.412	C	S	.	.	H	α-helix	trans	-66.8	-16.8	-178.4	-59	112	155.9	0	0	112.3	I370 V374 L376 A379 S392 Y393	I370-E372 VanDerWaalsContact C-N 3.3Å; I370-E372 HydrophobicContact CG2-CG 4.2Å; I370-E372 PolarHBondContact O-N 3.27Å; E372-V374 VanDerWaalsContact C-N 3.28Å; E372-L376 HydrophobicContact CB-CD1 4.18Å; E372-L376 HydrophobicContact CG-CD1 4.35Å; E372-L376 WeakPolarHBondContact O-CB 3.42Å; E372-L376 PolarHBondContact O-N 3.02Å; E372-A379 VanDerWaalsContact O-CB 3.29Å; E372-A379 WeakPolarHBondContact O-CB 3.48Å; E372-S392 WeakPolarHBondContact OE2-CA 3.11Å; E372-Y393 HydrophobicContact CB-CD1 3.35Å; E372-Y393 HydrophobicContact CB-CE1 3.97Å; E372-Y393 HydrophobicContact CB-CG 3.99Å; E372-Y393 HydrophobicContact CG-CD1 3.78Å; E372-Y393 HydrophobicContact CG-CE1 4.32Å; E372-Y393 WeakPolarHBondContact OE2-CD1 3.48Å; E372-Y393 PolarHBondContact OE2-N 2.96Å
373	C	78.8	Confident	77.8	Confident	40 Å²	40	72 Å²	72	27%	0.27	40%	0.4	S	S	.	.	H	α-helix	trans	-72.4	-24.2	173.9	-58.9	0	0	0	0	112.4	D371 C386	D371-C373 PolarHBondContact O-N 2.8Å; D371-C373 VanDerWaalsContact OD1-CB 3.23Å; D371-C373 WeakPolarHBondContact OD1-CB 3.44Å; D371-C373 PolarHBondContact OD1-N 2.86Å; C373-C386 WeakPolarHBondContact CA-SG 3.38Å; C373-C386 HydrophobicContact CB-CB 3.67Å; C373-C386 WeakPolarHBondContact CB-SG 3.04Å; C373-C386 WeakPolarHBondContact SG-CB 3.33Å; C373-C386 CovalentContact SG-SG 2.04Å; C373-C386 PolarHBondContact SG-SG 2.58Å
374	V	76.1	Confident	77.8	Confident	115 Å²	115	68.2 Å²	68.2	70%	0.697	38%	0.384	S	S	*	.	H	α-helix	trans	-99.9	-42.1	179.3	-178.8	0	0	0	0	111.2	D371 E372	D371-V374 HydrophobicContact CB-CB 4.43Å; D371-V374 HydrophobicContact CB-CG2 4.34Å; D371-V374 PolarHBondContact O-N 3.13Å; D371-V374 PolarHBondContact OD1-N 3.27Å; E372-V374 VanDerWaalsContact C-N 3.28Å
375	D	75.5	Confident	77.7	Confident	119 Å²	119	64.6 Å²	64.6	64%	0.636	37%	0.373	S	S	*	.	H	α-helix	trans	-82.3	-20.1	-173.3	-78	-19.2	0	0	0	113.9	I370 D371	I370-D375 HydrophobicContact CG2-CB 4.49Å; D371-D375 PolarHBondContact O-N 2.72Å
376	L	72.8	Confident	77.7	Confident	96 Å²	96	65.9 Å²	65.9	50%	0.503	38%	0.383	S	S	.	.			trans	-121.7	109.5	179.1	-71.2	164.7	0	0	0	111	E372 D378 A379	E372-L376 HydrophobicContact CB-CD1 4.18Å; E372-L376 HydrophobicContact CG-CD1 4.35Å; E372-L376 WeakPolarHBondContact O-CB 3.42Å; E372-L376 PolarHBondContact O-N 3.02Å; L376-D378 PolarHBondContact O-N 2.91Å; L376-D378 VanDerWaalsContact O-N 3.12Å; L376-A379 HydrophobicContact CB-CB 4.05Å; L376-A379 PolarHBondContact O-N 3.07Å
377	S	59.6	Low	77.8	Confident	111 Å²	111	62.6 Å²	62.6	78%	0.776	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-20.7	178.6	55.3	0	0	0	0	114.6
378	D	69.2	Low	77.6	Confident	147 Å²	147	64 Å²	64	79%	0.786	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.7	23.3	-179.7	-63.9	-37.4	0	0	0	112.9	L376 C380	L376-D378 PolarHBondContact O-N 2.91Å; L376-D378 VanDerWaalsContact O-N 3.12Å; D378-C380 VanDerWaalsContact C-N 3.32Å; D378-C380 PolarHBondContact O-N 3.47Å
379	A	72.4	Confident	77.6	Confident	13 Å²	13	62.1 Å²	62.1	11%	0.107	37%	0.365	C	S	.	.	S	Bend	trans	-59	-45	179.7	0	0	0	0	0	111.7	E372 L376 Y393	E372-A379 VanDerWaalsContact O-CB 3.29Å; E372-A379 WeakPolarHBondContact O-CB 3.48Å; L376-A379 HydrophobicContact CB-CB 4.05Å; L376-A379 PolarHBondContact O-N 3.07Å; A379-Y393 HydrophobicContact CB-CD2 4.16Å; A379-Y393 HydrophobicContact CB-CE1 4.39Å; A379-Y393 HydrophobicContact CB-CE2 3.93Å; A379-Y393 WeakPolarHBondContact O-CE2 3.11Å; A379-Y393 PolarHBondContact O-OH 2.89Å
380	C	81.6	Confident	77.5	Confident	20 Å²	20	65.7 Å²	65.7	14%	0.135	39%	0.388	C	S	.	.	S	Bend	trans	-120.9	165.2	175.3	-62.3	0	0	0	0	110.8	D378 S382 S384 C386 C395	D378-C380 VanDerWaalsContact C-N 3.32Å; D378-C380 PolarHBondContact O-N 3.47Å; C380-S382 PolarHBondContact O-N 2.55Å; C380-S384 VanDerWaalsContact CB-OG 3.27Å; C380-S384 WeakPolarHBondContact CB-OG 2.95Å; C380-C386 HydrophobicContact CB-CB 4.41Å; C380-C395 WeakPolarHBondContact CA-SG 3.22Å; C380-C395 HydrophobicContact CB-CB 3.68Å; C380-C395 WeakPolarHBondContact CB-SG 3.26Å; C380-C395 WeakPolarHBondContact SG-CA 3.3Å; C380-C395 WeakPolarHBondContact SG-CB 3.33Å; C380-C395 CovalentContact SG-SG 2.03Å; C380-C395 PolarHBondContact SG-SG 2.85Å
381	A	77.6	Confident	77.4	Confident	19 Å²	19	64.4 Å²	64.4	16%	0.157	39%	0.387	C	S	.	.			trans	-51.6	136.1	171.8	0	0	0	0	0	110.3	N383 S384	A381-N383 PolarHBondContact O-N 3.44Å; A381-S384 PolarHBondContact N-OG 2.84Å; A381-S384 VanDerWaalsContact O-CB 3.29Å; A381-S384 WeakPolarHBondContact O-CB 3.14Å; A381-S384 PolarHBondContact O-N 2.74Å; A381-S384 PolarHBondContact O-OG 2.9Å
382	S	69.9	Low	77.5	Confident	86 Å²	86	64.5 Å²	64.5	60%	0.601	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	136.3	177.3	47.1	0	0	0	0	110.4	C380 S384 C410	C380-S382 PolarHBondContact O-N 2.55Å; S382-S384 VanDerWaalsContact C-N 3.33Å; S382-S384 PolarHBondContact O-N 2.82Å; S382-C410 VanDerWaalsContact O-CB 3.29Å; S382-C410 WeakPolarHBondContact O-CB 3.11Å
383	N	71.4	Confident	77.5	Confident	68 Å²	68	67.5 Å²	67.5	36%	0.364	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.5	29.5	-174.2	-52	-48.3	0	0	0	115.2	A381 K399 F402 C410	A381-N383 PolarHBondContact O-N 3.44Å; N383-K399 PolarHBondContact O-N 3.11Å; N383-F402 HydrophobicContact CB-CB 4.41Å; N383-F402 HydrophobicContact CB-CD1 3.52Å; N383-F402 HydrophobicContact CB-CD2 3.93Å; N383-F402 HydrophobicContact CB-CE1 3.66Å; N383-F402 HydrophobicContact CB-CE2 4.05Å; N383-F402 HydrophobicContact CB-CG 3.69Å; N383-F402 HydrophobicContact CB-CZ 3.93Å; N383-F402 VanDerWaalsContact CG-CE1 3.44Å; N383-F402 WeakPolarHBondContact ND2-CE1 3.38Å; N383-C410 HydrophobicContact CB-CB 4.18Å
384	S	81.1	Confident	77.7	Confident	10 Å²	10	72.1 Å²	72.1	7%	0.07	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	154	166.2	70.8	0	0	0	0	112.3	C380 A381 S382 C386 G397 Q406	C380-S384 VanDerWaalsContact CB-OG 3.27Å; C380-S384 WeakPolarHBondContact CB-OG 2.95Å; A381-S384 PolarHBondContact N-OG 2.84Å; A381-S384 VanDerWaalsContact O-CB 3.29Å; A381-S384 WeakPolarHBondContact O-CB 3.14Å; A381-S384 PolarHBondContact O-N 2.74Å; A381-S384 PolarHBondContact O-OG 2.9Å; S382-S384 VanDerWaalsContact C-N 3.33Å; S382-S384 PolarHBondContact O-N 2.82Å; S384-C386 PolarHBondContact O-N 2.83Å; S384-G397 WeakPolarHBondContact CA-O 3.06Å; S384-Q406 VanDerWaalsContact CB-NE2 3.29Å; S384-Q406 PolarHBondContact OG-NE2 3.31Å
385	V	81.6	Confident	78.1	Confident	62 Å²	62	68.8 Å²	68.8	38%	0.376	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	119.7	178.1	-179.8	0	0	0	0	108.5	I387 G396 G397 K399	V385-I387 HydrophobicContact CG1-CG1 4.13Å; V385-G396 WeakPolarHBondContact O-CA 3.47Å; V385-G396 PolarHBondContact O-N 3.14Å; V385-G397 PolarHBondContact N-O 2.83Å; V385-K399 HydrophobicContact CG2-CG 4.03Å
386	C	84.9	Confident	78.2	Confident	40 Å²	40	64.4 Å²	64.4	27%	0.27	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	128.8	172.4	-172.1	0	0	0	0	109.1	C373 C380 S384	C373-C386 WeakPolarHBondContact CA-SG 3.38Å; C373-C386 HydrophobicContact CB-CB 3.67Å; C373-C386 WeakPolarHBondContact CB-SG 3.04Å; C373-C386 WeakPolarHBondContact SG-CB 3.33Å; C373-C386 CovalentContact SG-SG 2.04Å; C373-C386 PolarHBondContact SG-SG 2.58Å; C380-C386 HydrophobicContact CB-CB 4.41Å; S384-C386 PolarHBondContact O-N 2.83Å
387	I	84.4	Confident	78.6	Confident	90 Å²	90	62.3 Å²	62.3	46%	0.462	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	108.5	179.2	-55.3	173.9	0	0	0	107.2	V385 K394	V385-I387 HydrophobicContact CG1-CG1 4.13Å; I387-K394 WeakPolarHBondContact CA-O 3.47Å; I387-K394 WeakPolarHBondContact CB-O 3.5Å; I387-K394 PolarHBondContact N-O 2.98Å; I387-K394 PolarHBondContact O-N 2.05Å
388	N	81.5	Confident	79.4	Confident	48 Å²	48	58.5 Å²	58.5	26%	0.257	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	138.4	176.4	-173.8	25.9	0	0	0	110.8	D369 D371	D369-N388 PolarHBondContact OD2-ND2 2.93Å; D369-N388 PolarHBondContact OD2-OD1 3.08Å; D371-N388 VanDerWaalsContact CG-ND2 3.33Å; D371-N388 PolarHBondContact OD2-ND2 3.06Å
389	T	83.5	Confident	79.4	Confident	46 Å²	46	56.6 Å²	56.6	28%	0.282	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	154.8	173.3	74.9	0	0	0	0	110.2	G391 S392 K394	T389-G391 PolarHBondContact O-N 3.42Å; T389-S392 CarbonylContact C-O 3.53Å; T389-S392 WeakPolarHBondContact CA-O 3.28Å; T389-S392 VanDerWaalsContact CB-O 3.23Å; T389-S392 WeakPolarHBondContact CB-O 3.2Å; T389-S392 PolarHBondContact N-O 2.04Å; T389-S392 CarbonylContact O-C 3.35Å; T389-S392 PolarHBondContact O-N 3.06Å; T389-S392 PolarHBondContact OG1-O 3.1Å; T389-K394 HydrophobicContact CG2-CD 4.24Å; T389-K394 HydrophobicContact CG2-CG 4.24Å
390	V	80.6	Confident	78.8	Confident	125 Å²	125	61.5 Å²	61.5	76%	0.758	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	113	-175	-176.8	0	0	0	0	111.4	L347	L347-V390 HydrophobicContact CD2-CG1 4.33Å
391	G	77.3	Confident	77.5	Confident	23 Å²	23	62.8 Å²	62.8	24%	0.237	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	7.3	-178.8	0	0	0	0	0	115.3	D369 T389	D369-G391 WeakPolarHBondContact OD1-CA 3.3Å; D369-G391 PolarHBondContact OD1-N 3.08Å; T389-G391 PolarHBondContact O-N 3.42Å
392	S	82.1	Confident	76.8	Confident	59 Å²	59	64.7 Å²	64.7	41%	0.413	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.4	158.1	179.8	-167.1	0	0	0	0	112.4	E372 T389	E372-S392 WeakPolarHBondContact OE2-CA 3.11Å; T389-S392 CarbonylContact C-O 3.53Å; T389-S392 WeakPolarHBondContact CA-O 3.28Å; T389-S392 VanDerWaalsContact CB-O 3.23Å; T389-S392 WeakPolarHBondContact CB-O 3.2Å; T389-S392 PolarHBondContact N-O 2.04Å; T389-S392 CarbonylContact O-C 3.35Å; T389-S392 PolarHBondContact O-N 3.06Å; T389-S392 PolarHBondContact OG1-O 3.1Å
393	Y	85.4	Confident	76.7	Confident	80 Å²	80	66.9 Å²	66.9	31%	0.314	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	160.6	171.9	63.5	-80.3	0	0	0	113.6	E372 A379	E372-Y393 HydrophobicContact CB-CD1 3.35Å; E372-Y393 HydrophobicContact CB-CE1 3.97Å; E372-Y393 HydrophobicContact CB-CG 3.99Å; E372-Y393 HydrophobicContact CG-CD1 3.78Å; E372-Y393 HydrophobicContact CG-CE1 4.32Å; E372-Y393 WeakPolarHBondContact OE2-CD1 3.48Å; E372-Y393 PolarHBondContact OE2-N 2.96Å; A379-Y393 HydrophobicContact CB-CD2 4.16Å; A379-Y393 HydrophobicContact CB-CE1 4.39Å; A379-Y393 HydrophobicContact CB-CE2 3.93Å; A379-Y393 WeakPolarHBondContact O-CE2 3.11Å; A379-Y393 PolarHBondContact O-OH 2.89Å
394	K	84.2	Confident	76.6	Confident	137 Å²	137	65.7 Å²	65.7	60%	0.596	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124	129.4	169.7	-71.3	-178	-176	171.5	0	110.6	I387 T389	I387-K394 WeakPolarHBondContact CA-O 3.47Å; I387-K394 WeakPolarHBondContact CB-O 3.5Å; I387-K394 PolarHBondContact N-O 2.98Å; I387-K394 PolarHBondContact O-N 2.05Å; T389-K394 HydrophobicContact CG2-CD 4.24Å; T389-K394 HydrophobicContact CG2-CG 4.24Å
395	C	83.7	Confident	76.4	Confident	46 Å²	46	69 Å²	69	31%	0.311	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	121.4	174.1	-50.9	0	0	0	0	110.8	C380 Q406	C380-C395 WeakPolarHBondContact CA-SG 3.22Å; C380-C395 HydrophobicContact CB-CB 3.68Å; C380-C395 WeakPolarHBondContact CB-SG 3.26Å; C380-C395 WeakPolarHBondContact SG-CA 3.3Å; C380-C395 WeakPolarHBondContact SG-CB 3.33Å; C380-C395 CovalentContact SG-SG 2.03Å; C380-C395 PolarHBondContact SG-SG 2.85Å; C395-Q406 HydrophobicContact CB-CG 3.93Å
396	G	78.2	Confident	76	Confident	26 Å²	26	69.7 Å²	69.7	27%	0.268	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	-161.4	173.5	0	0	0	0	0	113.1	V385 Q406	V385-G396 WeakPolarHBondContact O-CA 3.47Å; V385-G396 PolarHBondContact O-N 3.14Å; G396-Q406 PolarHBondContact O-NE2 3.16Å
397	G	79.7	Confident	75.4	Confident	53 Å²	53	74.3 Å²	74.3	55%	0.546	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	172.3	174.4	0	0	0	0	0	112.5	S384 V385	S384-G397 WeakPolarHBondContact CA-O 3.06Å; V385-G397 PolarHBondContact N-O 2.83Å
398	C	76.9	Confident	74.6	Confident	30 Å²	30	74.2 Å²	74.2	20%	0.203	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	143.9	167.9	-59.2	0	0	0	0	110	F402 G404 C410	C398-F402 HydrophobicContact CB-CB 3.84Å; C398-F402 VanDerWaalsContact CB-O 3.27Å; C398-F402 WeakPolarHBondContact CB-O 3.37Å; C398-G404 PolarHBondContact SG-N 3.4Å; C398-C410 WeakPolarHBondContact CA-SG 3.32Å; C398-C410 HydrophobicContact CB-CB 3.63Å; C398-C410 WeakPolarHBondContact CB-SG 3.39Å; C398-C410 WeakPolarHBondContact SG-CB 3.43Å; C398-C410 CovalentContact SG-SG 2.03Å; C398-C410 PolarHBondContact SG-SG 2.72Å
399	K	69.1	Low	74	Confident	107 Å²	107	72.9 Å²	72.9	47%	0.465	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-57.5	157.3	173.1	-69.3	-174.8	177.3	-171.7	0	110.1	N383 V385 G401 F402	N383-K399 PolarHBondContact O-N 3.11Å; V385-K399 HydrophobicContact CG2-CG 4.03Å; K399-G401 PolarHBondContact O-N 3.23Å; K399-F402 PolarHBondContact O-N 2.87Å
400	P	59.4	Low	73.4	Confident	117 Å²	117	71.1 Å²	71.1	76%	0.76	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.2	139	172.8	-25.8	34.5	0	0	0	111.1	F402	P400-F402 VanDerWaalsContact C-N 3.35Å; P400-F402 PolarHBondContact O-N 3.09Å
401	G	55.1	Low	72.3	Confident	47 Å²	47	67.7 Å²	67.7	49%	0.485	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	-5.7	-174.5	0	0	0	0	0	116.1	K399 P412 R413	K399-G401 PolarHBondContact O-N 3.23Å; G401-P412 CarbonylContact O-C 3.46Å; G401-P412 WeakPolarHBondContact O-CA 3.15Å; G401-R413 PolarHBondContact O-N 2.81Å
402	F	63.2	Low	71.4	Confident	59 Å²	59	69 Å²	69	26%	0.259	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	145	177.9	-65.7	-102.3	0	0	0	112.7	N383 C398 K399 P400 C410 S411 P412	N383-F402 HydrophobicContact CB-CB 4.41Å; N383-F402 HydrophobicContact CB-CD1 3.52Å; N383-F402 HydrophobicContact CB-CD2 3.93Å; N383-F402 HydrophobicContact CB-CE1 3.66Å; N383-F402 HydrophobicContact CB-CE2 4.05Å; N383-F402 HydrophobicContact CB-CG 3.69Å; N383-F402 HydrophobicContact CB-CZ 3.93Å; N383-F402 VanDerWaalsContact CG-CE1 3.44Å; N383-F402 WeakPolarHBondContact ND2-CE1 3.38Å; C398-F402 HydrophobicContact CB-CB 3.84Å; C398-F402 VanDerWaalsContact CB-O 3.27Å; C398-F402 WeakPolarHBondContact CB-O 3.37Å; K399-F402 PolarHBondContact O-N 2.87Å; P400-F402 VanDerWaalsContact C-N 3.35Å; P400-F402 PolarHBondContact O-N 3.09Å; F402-C410 HydrophobicContact CB-CB 4Å; F402-S411 CarbonylContact C-O 3.59Å; F402-S411 VanDerWaalsContact CA-O 3.23Å; F402-S411 WeakPolarHBondContact CA-O 3.4Å; F402-S411 VanDerWaalsContact CD1-C 3.46Å; F402-P412 HydrophobicContact CD1-CB 4.46Å; F402-P412 HydrophobicContact CD1-CG 4.16Å; F402-P412 HydrophobicContact CE1-CB 4.3Å; F402-P412 HydrophobicContact CE1-CG 3.72Å; F402-P412 HydrophobicContact CZ-CG 4.43Å
403	Y	67.9	Low	70	Confident	131 Å²	131	75.3 Å²	75.3	51%	0.514	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	149.9	172.5	78.7	-71.1	0	0	0	110.7	S411 P412 R413	Y403-S411 VanDerWaalsContact CD1-O 3.23Å; Y403-S411 WeakPolarHBondContact CD1-O 3.06Å; Y403-S411 PolarHBondContact N-O 3.28Å; Y403-S411 PolarHBondContact O-N 2.84Å; Y403-P412 WeakPolarHBondContact CD1-O 3.46Å; Y403-P412 WeakPolarHBondContact CE1-O 3.47Å; Y403-R413 HydrophobicContact CD1-CB 4.5Å; Y403-R413 HydrophobicContact CD1-CG 4.18Å; Y403-R413 HydrophobicContact CG-CG 4.4Å
404	G	68.9	Low	68.5	Low	44 Å²	44	77.7 Å²	77.7	45%	0.454	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	147	-159.9	-179.9	0	0	0	0	0	111.9	C398 G409	C398-G404 PolarHBondContact SG-N 3.4Å; G404-G409 WeakPolarHBondContact CA-O 3.35Å
405	N	76.5	Confident	67.2	Low	79 Å²	79	72.7 Å²	72.7	42%	0.422	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	171.2	175.2	65	32.8	0	0	0	109.8	T407 S408 G409	N405-T407 PolarHBondContact O-N 3.46Å; N405-T407 WeakPolarHBondContact OD1-CA 3.47Å; N405-T407 WeakPolarHBondContact OD1-CB 3.43Å; N405-T407 PolarHBondContact OD1-N 3.29Å; N405-S408 VanDerWaalsContact CG-OG 3.27Å; N405-S408 PolarHBondContact ND2-OG 3.45Å; N405-S408 PolarHBondContact O-N 3.19Å; N405-S408 VanDerWaalsContact O-N 3.15Å; N405-S408 WeakPolarHBondContact OD1-CB 3.29Å; N405-S408 PolarHBondContact OD1-N 3.26Å; N405-S408 PolarHBondContact OD1-OG 2.75Å; N405-G409 PolarHBondContact N-O 3.31Å; N405-G409 CarbonylContact O-C 3.51Å; N405-G409 PolarHBondContact O-N 3.07Å
406	Q	74.2	Confident	66.1	Low	77 Å²	77	72.2 Å²	72.2	36%	0.36	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-13.6	-179.7	-63.9	-61.5	-30.3	0	0	114.3	S384 C395 G396	S384-Q406 VanDerWaalsContact CB-NE2 3.29Å; S384-Q406 PolarHBondContact OG-NE2 3.31Å; C395-Q406 HydrophobicContact CB-CG 3.93Å; G396-Q406 PolarHBondContact O-NE2 3.16Å
407	T	70.9	Confident	65.1	Low	136 Å²	136	75.6 Å²	75.6	83%	0.834	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-23.3	179.6	-34	0	0	0	0	113.3	N405	N405-T407 PolarHBondContact O-N 3.46Å; N405-T407 WeakPolarHBondContact OD1-CA 3.47Å; N405-T407 WeakPolarHBondContact OD1-CB 3.43Å; N405-T407 PolarHBondContact OD1-N 3.29Å
408	S	67.3	Low	64.1	Low	88 Å²	88	75.7 Å²	75.7	62%	0.615	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.2	-9.6	-174.7	-38.2	0	0	0	0	112.3	N405	N405-S408 VanDerWaalsContact CG-OG 3.27Å; N405-S408 PolarHBondContact ND2-OG 3.45Å; N405-S408 PolarHBondContact O-N 3.19Å; N405-S408 VanDerWaalsContact O-N 3.15Å; N405-S408 WeakPolarHBondContact OD1-CB 3.29Å; N405-S408 PolarHBondContact OD1-N 3.26Å; N405-S408 PolarHBondContact OD1-OG 2.75Å
409	G	69.3	Low	63.4	Low	21 Å²	21	77 Å²	77	22%	0.216	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	81.5	158.6	-165.2	0	0	0	0	0	111.4	G404 N405	G404-G409 WeakPolarHBondContact CA-O 3.35Å; N405-G409 PolarHBondContact N-O 3.31Å; N405-G409 CarbonylContact O-C 3.51Å; N405-G409 PolarHBondContact O-N 3.07Å
410	C	71.4	Confident	62.9	Low	8 Å²	8	79.3 Å²	79.3	5%	0.054	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	116.5	167	-68.2	0	0	0	0	108.4	S382 N383 C398 F402	S382-C410 VanDerWaalsContact O-CB 3.29Å; S382-C410 WeakPolarHBondContact O-CB 3.11Å; N383-C410 HydrophobicContact CB-CB 4.18Å; C398-C410 WeakPolarHBondContact CA-SG 3.32Å; C398-C410 HydrophobicContact CB-CB 3.63Å; C398-C410 WeakPolarHBondContact CB-SG 3.39Å; C398-C410 WeakPolarHBondContact SG-CB 3.43Å; C398-C410 CovalentContact SG-SG 2.03Å; C398-C410 PolarHBondContact SG-SG 2.72Å; F402-C410 HydrophobicContact CB-CB 4Å
411	S	58.3	Low	63.2	Low	53 Å²	53	81.5 Å²	81.5	37%	0.371	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	149.4	179.8	-56	0	0	0	0	110	F402 Y403 R413	F402-S411 CarbonylContact C-O 3.59Å; F402-S411 VanDerWaalsContact CA-O 3.23Å; F402-S411 WeakPolarHBondContact CA-O 3.4Å; F402-S411 VanDerWaalsContact CD1-C 3.46Å; Y403-S411 VanDerWaalsContact CD1-O 3.23Å; Y403-S411 WeakPolarHBondContact CD1-O 3.06Å; Y403-S411 PolarHBondContact N-O 3.28Å; Y403-S411 PolarHBondContact O-N 2.84Å; S411-R413 PolarHBondContact O-N 3.21Å
412	P	57.1	Low	64	Low	51 Å²	51	83.2 Å²	83.2	33%	0.331	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	134.9	179.3	-20.4	29.3	0	0	0	111.5	G401 F402 Y403 K414	G401-P412 CarbonylContact O-C 3.46Å; G401-P412 WeakPolarHBondContact O-CA 3.15Å; F402-P412 HydrophobicContact CD1-CB 4.46Å; F402-P412 HydrophobicContact CD1-CG 4.16Å; F402-P412 HydrophobicContact CE1-CB 4.3Å; F402-P412 HydrophobicContact CE1-CG 3.72Å; F402-P412 HydrophobicContact CZ-CG 4.43Å; Y403-P412 WeakPolarHBondContact CD1-O 3.46Å; Y403-P412 WeakPolarHBondContact CE1-O 3.47Å; P412-K414 PolarHBondContact O-N 2.93Å; P412-K414 VanDerWaalsContact O-N 3.09Å
413	R	54.2	Low	64.9	Low	192 Å²	192	82.9 Å²	82.9	73%	0.725	47%	0.473	S	S	*	.	S	Bend	trans	-56.5	-24.5	-179.8	-106.1	-179.2	148	-177.2	-6.3	113.2	G401 Y403 S411	G401-R413 PolarHBondContact O-N 2.81Å; Y403-R413 HydrophobicContact CD1-CB 4.5Å; Y403-R413 HydrophobicContact CD1-CG 4.18Å; Y403-R413 HydrophobicContact CG-CG 4.4Å; S411-R413 PolarHBondContact O-N 3.21Å
414	K	53.1	Low	65.8	Low	129 Å²	129	77.5 Å²	77.5	56%	0.561	45%	0.454	S	S	*	.	S	Bend	trans	-149.2	121.8	161.4	-65	179.4	-171.6	164.4	0	106.6	P412 M432	P412-K414 PolarHBondContact O-N 2.93Å; P412-K414 VanDerWaalsContact O-N 3.09Å; K414-M432 HydrophobicContact CB-CE 3.96Å; K414-M432 WeakPolarHBondContact O-CE 3.43Å
415	S	55.9	Low	66.8	Low	33 Å²	33	77.1 Å²	77.1	23%	0.231	44%	0.442	C	S	.	.			trans	-113.7	156	161.2	62.3	0	0	0	0	107.5	A417 A418 L419	S415-A417 PolarHBondContact O-N 2.76Å; S415-A418 WeakPolarHBondContact O-CA 3.4Å; S415-A418 WeakPolarHBondContact O-CB 3.49Å; S415-A418 PolarHBondContact O-N 3.35Å; S415-A418 WeakPolarHBondContact OG-CB 2.83Å; S415-A418 PolarHBondContact OG-N 3.27Å; S415-L419 PolarHBondContact O-N 2.76Å
416	C	60.9	Low	67.5	Low	36 Å²	36	79.6 Å²	79.6	24%	0.243	46%	0.46	C	S	.	.	G	3₁₀ helix	trans	-49.5	-33.8	170.6	-62.1	0	0	0	0	111.8	L419 C430	C416-L419 PolarHBondContact O-N 3.12Å; C416-C430 HydrophobicContact CB-CB 3.54Å; C416-C430 WeakPolarHBondContact CB-SG 3.46Å; C416-C430 WeakPolarHBondContact SG-CB 3.08Å; C416-C430 PolarHBondContact SG-O 3.15Å; C416-C430 CovalentContact SG-SG 2.02Å; C416-C430 PolarHBondContact SG-SG 3.19Å
417	A	58.3	Low	68.3	Low	97 Å²	97	78 Å²	78	80%	0.802	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-74.7	-18.1	175.5	0	0	0	0	0	115.1	S415	S415-A417 PolarHBondContact O-N 2.76Å
418	A	57.2	Low	69.3	Low	54 Å²	54	72 Å²	72	45%	0.446	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-90	-9.4	176.8	0	0	0	0	0	113.1	S415	S415-A418 WeakPolarHBondContact O-CA 3.4Å; S415-A418 WeakPolarHBondContact O-CB 3.49Å; S415-A418 PolarHBondContact O-N 3.35Å; S415-A418 WeakPolarHBondContact OG-CB 2.83Å; S415-A418 PolarHBondContact OG-N 3.27Å
419	L	62.1	Low	70.3	Confident	58 Å²	58	72.1 Å²	72.1	30%	0.304	41%	0.409	S	S	.	.			trans	-70	132.7	174.5	-63	170.3	0	0	0	109.9	S415 C416 F421 P423 V438	S415-L419 PolarHBondContact O-N 2.76Å; C416-L419 PolarHBondContact O-N 3.12Å; L419-F421 WeakPolarHBondContact CB-O 3.42Å; L419-F421 PolarHBondContact O-N 3.35Å; L419-P423 HydrophobicContact CD1-CG 4.48Å; L419-V438 HydrophobicContact CD1-CG1 4.29Å; L419-V438 HydrophobicContact CD1-CG2 3.88Å
420	T	59.1	Low	71	Confident	156 Å²	156	72.1 Å²	72.1	96%	0.957	41%	0.406	S	S	*	.	S	Bend	trans	-68.2	-14.6	175.6	38.6	0	0	0	0	113.6
421	F	66.6	Low	71.4	Confident	163 Å²	163	72.7 Å²	72.7	72%	0.715	41%	0.411	S	S	*	.	S	Bend	trans	-151.5	131.5	176.9	179.7	-98.2	0	0	0	108	L419 P423	L419-F421 WeakPolarHBondContact CB-O 3.42Å; L419-F421 PolarHBondContact O-N 3.35Å; F421-P423 WeakPolarHBondContact O-CD 3.26Å
422	D	72.2	Confident	72	Confident	83 Å²	83	73.4 Å²	73.4	44%	0.444	41%	0.409	S	S	.	.			trans	-78.3	115.3	175.2	-167	-19.1	0	0	0	108.9	C424	D422-C424 PolarHBondContact O-N 3.29Å; D422-C424 WeakPolarHBondContact OD1-CB 3.33Å; D422-C424 PolarHBondContact OD1-N 3.43Å; D422-C424 VanDerWaalsContact OD1-N 3.1Å
423	P	81.1	Confident	72.5	Confident	52 Å²	52	71.9 Å²	71.9	34%	0.338	40%	0.397	S	S	.	.			trans	-76.7	-6.3	-178.6	33.6	-36.2	0	0	0	113.6	L419 F421 V438 H451	L419-P423 HydrophobicContact CD1-CG 4.48Å; F421-P423 WeakPolarHBondContact O-CD 3.26Å; P423-V438 HydrophobicContact CG-CG1 3.9Å; P423-H451 PolarHBondContact O-ND1 2.88Å
424	C	87.4	Confident	72.9	Confident	17 Å²	17	68.7 Å²	68.7	12%	0.115	39%	0.386	C	S	.	.	S	Bend	trans	-88.5	160.7	-176	-54.1	0	0	0	0	112.6	D422 A428 C440	D422-C424 PolarHBondContact O-N 3.29Å; D422-C424 WeakPolarHBondContact OD1-CB 3.33Å; D422-C424 PolarHBondContact OD1-N 3.43Å; D422-C424 VanDerWaalsContact OD1-N 3.1Å; C424-A428 HydrophobicContact CB-CB 3.97Å; C424-C440 WeakPolarHBondContact CA-SG 3.23Å; C424-C440 HydrophobicContact CB-CB 3.71Å; C424-C440 WeakPolarHBondContact CB-SG 3.44Å; C424-C440 VanDerWaalsContact SG-CA 3.56Å; C424-C440 WeakPolarHBondContact SG-CB 3.28Å; C424-C440 CovalentContact SG-SG 2.04Å; C424-C440 PolarHBondContact SG-SG 3.43Å
425	D	90.2	Very high	73.2	Confident	36 Å²	36	66.9 Å²	66.9	19%	0.193	38%	0.382	C	S	.	.			trans	-60.5	155.2	171.8	-166.6	-78.7	0	0	0	110.9	N427 A428 G450 C453	D425-N427 PolarHBondContact O-N 2.94Å; D425-N427 VanDerWaalsContact O-N 3.14Å; D425-N427 PolarHBondContact OD1-N 3.13Å; D425-N427 PolarHBondContact OD1-ND2 3.46Å; D425-A428 HydrophobicContact CB-CB 4.03Å; D425-A428 PolarHBondContact O-N 3.19Å; D425-G450 PolarHBondContact N-O 3.48Å; D425-C453 HydrophobicContact CB-CB 4.18Å; D425-C453 PolarHBondContact OD2-N 2.83Å
426	T	90.3	Very high	73.4	Confident	131 Å²	131	66.6 Å²	66.6	80%	0.804	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-25.9	172.1	47.7	0	0	0	0	114.4
427	N	92.1	Very high	73.8	Confident	43 Å²	43	70.7 Å²	70.7	23%	0.23	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	18.5	176.9	-53.3	-61.1	0	0	0	112.4	D425 N443 W446 C453	D425-N427 PolarHBondContact O-N 2.94Å; D425-N427 VanDerWaalsContact O-N 3.14Å; D425-N427 PolarHBondContact OD1-N 3.13Å; D425-N427 PolarHBondContact OD1-ND2 3.46Å; N427-N443 VanDerWaalsContact C-ND2 3.29Å; N427-N443 VanDerWaalsContact O-CB 3.28Å; N427-N443 WeakPolarHBondContact O-CB 3.34Å; N427-N443 VanDerWaalsContact O-CG 3.24Å; N427-N443 PolarHBondContact O-N 3.14Å; N427-N443 PolarHBondContact O-ND2 3.09Å; N427-N443 VanDerWaalsContact O-ND2 3.16Å; N427-W446 HydrophobicContact CB-CD2 3.49Å; N427-W446 VanDerWaalsContact CB-CD2 3.49Å; N427-W446 HydrophobicContact CB-CE3 3.82Å; N427-W446 HydrophobicContact CB-CG 3.79Å; N427-W446 HydrophobicContact CB-CZ2 4.24Å; N427-W446 HydrophobicContact CB-CZ3 4.34Å; N427-W446 WeakPolarHBondContact ND2-CH2 3.27Å; N427-W446 WeakPolarHBondContact ND2-CZ3 3.02Å; N427-W446 WeakPolarHBondContact OD1-CZ2 3.47Å; N427-C453 HydrophobicContact CB-CB 4.35Å
428	A	91.2	Very high	74.5	Confident	11 Å²	11	68.2 Å²	68.2	9%	0.091	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	162.9	170.2	0	0	0	0	0	110.5	C424 D425 R441 G450	C424-A428 HydrophobicContact CB-CB 3.97Å; D425-A428 HydrophobicContact CB-CB 4.03Å; D425-A428 PolarHBondContact O-N 3.19Å; A428-R441 CarbonylContact C-O 3.56Å; A428-R441 WeakPolarHBondContact CA-O 3.38Å; A428-R441 VanDerWaalsContact CB-O 3.28Å; A428-R441 WeakPolarHBondContact CB-O 3.2Å; A428-G450 WeakPolarHBondContact CB-O 3.45Å
429	H	88.7	Confident	75.7	Confident	90 Å²	90	66.7 Å²	66.7	42%	0.417	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	144.7	165.5	64.2	-81.1	0	0	0	109.8	R441 N443	H429-R441 PolarHBondContact N-O 2.74Å; H429-R441 PolarHBondContact ND1-O 2.85Å; H429-R441 PolarHBondContact O-N 2.99Å; H429-N443 PolarHBondContact N-OD1 3.24Å; H429-N443 PolarHBondContact ND1-OD1 3.02Å
430	C	84.4	Confident	76.9	Confident	22 Å²	22	64.7 Å²	64.7	15%	0.149	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	128.8	174.4	169.6	0	0	0	0	109.3	C416 V438	C416-C430 HydrophobicContact CB-CB 3.54Å; C416-C430 WeakPolarHBondContact CB-SG 3.46Å; C416-C430 WeakPolarHBondContact SG-CB 3.08Å; C416-C430 PolarHBondContact SG-O 3.15Å; C416-C430 CovalentContact SG-SG 2.02Å; C416-C430 PolarHBondContact SG-SG 3.19Å; C430-V438 WeakPolarHBondContact SG-CG1 3.45Å
431	A	78.8	Confident	78.3	Confident	20 Å²	20	60.2 Å²	60.2	17%	0.165	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	142.8	170.2	0	0	0	0	0	109.1	S439	A431-S439 PolarHBondContact N-O 3.24Å; A431-S439 PolarHBondContact O-N 3.36Å; A431-S439 VanDerWaalsContact O-O 3.12Å
432	M	70.2	Confident	79.6	Confident	68 Å²	68	53.7 Å²	53.7	34%	0.335	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	128.8	173.2	-69	-66.5	-51.9	0	0	108	K414 G436 V438	K414-M432 HydrophobicContact CB-CE 3.96Å; K414-M432 WeakPolarHBondContact O-CE 3.43Å; M432-G436 WeakPolarHBondContact CE-O 3.27Å; M432-V438 HydrophobicContact SD-CG2 3.81Å
433	E	67.8	Low	80.6	Confident	18 Å²	18	52.5 Å²	52.5	8%	0.084	29%	0.285	C	S	.	.			trans	-89.7	167.7	175.6	-59.4	-62.9	166.5	0	0	111	N435 G436 E437 S439 R441 L705 R929	E433-N435 VanDerWaalsContact C-N 3.31Å; E433-N435 PolarHBondContact O-N 2.92Å; E433-G436 WeakPolarHBondContact O-CA 3.44Å; E433-G436 PolarHBondContact O-N 2.88Å; E433-E437 PolarHBondContact N-O 3.35Å; E433-S439 VanDerWaalsContact OE1-CB 3.26Å; E433-S439 WeakPolarHBondContact OE1-CB 3.25Å; E433-S439 PolarHBondContact OE1-OG 2.8Å; E433-R441 IonicContact OE1-CZ 3.73Å; E433-R441 IonicContact OE1-NE 3.67Å; E433-R441 IonicContact OE1-NH2 3.97Å; E433-R441 PolarHBondContact OE1-NH2 2.85Å; E433-R441 IonicContact OE2-NH2 2.8Å; E433-L705 HydrophobicContact CB-CD1 4.46Å; E433-L705 HydrophobicContact CG-CD1 3.62Å; E433-R929 IonicContact OE2-NH2 2.85Å
434	R	63.9	Low	81.2	Confident	126 Å²	126	51.4 Å²	51.4	48%	0.475	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-39.9	-176.5	-77.2	-174.6	170.8	-173.7	-0.4	113.1	G436 P710 E711	R434-G436 PolarHBondContact O-N 3.4Å; R434-G436 VanDerWaalsContact O-N 3.12Å; R434-P710 PolarHBondContact NH1-O 2.97Å; R434-E711 IonicContact CZ-OE1 3.11Å; R434-E711 VanDerWaalsContact NH1-CG 3.25Å; R434-E711 IonicContact NH1-OE1 2.64Å; R434-E711 PolarHBondContact NH1-OE1 2.76Å; R434-E711 IonicContact NH2-OE1 3.6Å; R434-E711 PolarHBondContact NH2-OE1 3.17Å
435	N	58.2	Low	81.5	Confident	90 Å²	90	50.8 Å²	50.8	48%	0.481	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-1.9	175.4	68.2	0.6	0	0	0	113.9	E433 E437	E433-N435 VanDerWaalsContact C-N 3.31Å; E433-N435 PolarHBondContact O-N 2.92Å; N435-E437 VanDerWaalsContact C-N 3.29Å; N435-E437 PolarHBondContact ND2-OE2 3.2Å; N435-E437 PolarHBondContact O-N 3.43Å; N435-E437 WeakPolarHBondContact OD1-CB 3.3Å; N435-E437 WeakPolarHBondContact OD1-CG 3.07Å; N435-E437 PolarHBondContact OD1-N 2.92Å
436	G	60.3	Low	81.8	Confident	28 Å²	28	51.7 Å²	51.7	29%	0.289	27%	0.274	S	S	.	.	S	Bend	trans	76.5	12.7	-178.2	0	0	0	0	0	114.5	M432 E433 R434	M432-G436 WeakPolarHBondContact CE-O 3.27Å; E433-G436 WeakPolarHBondContact O-CA 3.44Å; E433-G436 PolarHBondContact O-N 2.88Å; R434-G436 PolarHBondContact O-N 3.4Å; R434-G436 VanDerWaalsContact O-N 3.12Å
437	E	68.8	Low	82	Confident	121 Å²	121	45.6 Å²	45.6	57%	0.565	24%	0.238	S	C	*	.	P	Polyproline II helix	trans	-76.3	159.2	165.8	-65.9	-168.7	144.8	0	0	111.6	E433 N435	E433-E437 PolarHBondContact N-O 3.35Å; N435-E437 VanDerWaalsContact C-N 3.29Å; N435-E437 PolarHBondContact ND2-OE2 3.2Å; N435-E437 PolarHBondContact O-N 3.43Å; N435-E437 WeakPolarHBondContact OD1-CB 3.3Å; N435-E437 WeakPolarHBondContact OD1-CG 3.07Å; N435-E437 PolarHBondContact OD1-N 2.92Å
438	V	74.1	Confident	82.1	Confident	45 Å²	45	44.3 Å²	44.3	27%	0.273	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	116.5	-179.5	170.7	0	0	0	0	107.4	L419 P423 C430 M432	L419-V438 HydrophobicContact CD1-CG1 4.29Å; L419-V438 HydrophobicContact CD1-CG2 3.88Å; P423-V438 HydrophobicContact CG-CG1 3.9Å; C430-V438 WeakPolarHBondContact SG-CG1 3.45Å; M432-V438 HydrophobicContact SD-CG2 3.81Å
439	S	82	Confident	82	Confident	22 Å²	22	44.9 Å²	44.9	15%	0.154	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	148.2	168.5	73.3	0	0	0	0	109.9	A431 E433	A431-S439 PolarHBondContact N-O 3.24Å; A431-S439 PolarHBondContact O-N 3.36Å; A431-S439 VanDerWaalsContact O-O 3.12Å; E433-S439 VanDerWaalsContact OE1-CB 3.26Å; E433-S439 WeakPolarHBondContact OE1-CB 3.25Å; E433-S439 PolarHBondContact OE1-OG 2.8Å
440	C	87.5	Confident	82.1	Confident	16 Å²	16	40.6 Å²	40.6	11%	0.108	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	132	175.8	-64.1	0	0	0	0	108.6	C424 G450 H451	C424-C440 WeakPolarHBondContact CA-SG 3.23Å; C424-C440 HydrophobicContact CB-CB 3.71Å; C424-C440 WeakPolarHBondContact CB-SG 3.44Å; C424-C440 VanDerWaalsContact SG-CA 3.56Å; C424-C440 WeakPolarHBondContact SG-CB 3.28Å; C424-C440 CovalentContact SG-SG 2.04Å; C424-C440 PolarHBondContact SG-SG 3.43Å; C440-G450 WeakPolarHBondContact CB-O 3.31Å; C440-G450 WeakPolarHBondContact O-CA 3.33Å; C440-H451 VanDerWaalsContact SG-CE1 3.57Å
441	R	89.2	Confident	82.3	Confident	63 Å²	63	44.1 Å²	44.1	24%	0.238	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	129.4	177.6	-60.4	-179.3	-170.9	-168.8	0	108.9	A428 H429 E433	A428-R441 CarbonylContact C-O 3.56Å; A428-R441 WeakPolarHBondContact CA-O 3.38Å; A428-R441 VanDerWaalsContact CB-O 3.28Å; A428-R441 WeakPolarHBondContact CB-O 3.2Å; H429-R441 PolarHBondContact N-O 2.74Å; H429-R441 PolarHBondContact ND1-O 2.85Å; H429-R441 PolarHBondContact O-N 2.99Å; E433-R441 IonicContact OE1-CZ 3.73Å; E433-R441 IonicContact OE1-NE 3.67Å; E433-R441 IonicContact OE1-NH2 3.97Å; E433-R441 PolarHBondContact OE1-NH2 2.85Å; E433-R441 IonicContact OE2-NH2 2.8Å
442	C	92.8	Very high	83	Confident	26 Å²	26	45.2 Å²	45.2	18%	0.176	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	145.5	176.6	-62.4	0	0	0	0	110.3	W446 C453	C442-W446 HydrophobicContact CB-CB 4.1Å; C442-W446 VanDerWaalsContact CB-O 3.3Å; C442-W446 WeakPolarHBondContact CB-O 3.27Å; C442-C453 VanDerWaalsContact CA-SG 3.54Å; C442-C453 HydrophobicContact CB-CB 3.98Å; C442-C453 WeakPolarHBondContact CB-SG 3.26Å; C442-C453 WeakPolarHBondContact SG-CB 3.22Å; C442-C453 CovalentContact SG-SG 2.05Å; C442-C453 PolarHBondContact SG-SG 2.93Å
443	N	93.9	Very high	84.1	Confident	58 Å²	58	42.5 Å²	42.5	31%	0.31	22%	0.222	S	C	.	.	P	Polyproline II helix	trans	-73.2	159	176.1	-65.1	-31.5	0	0	0	110.4	N427 H429 G445 W446	N427-N443 VanDerWaalsContact C-ND2 3.29Å; N427-N443 VanDerWaalsContact O-CB 3.28Å; N427-N443 WeakPolarHBondContact O-CB 3.34Å; N427-N443 VanDerWaalsContact O-CG 3.24Å; N427-N443 PolarHBondContact O-N 3.14Å; N427-N443 PolarHBondContact O-ND2 3.09Å; N427-N443 VanDerWaalsContact O-ND2 3.16Å; H429-N443 PolarHBondContact N-OD1 3.24Å; H429-N443 PolarHBondContact ND1-OD1 3.02Å; N443-G445 PolarHBondContact O-N 3.35Å; N443-W446 WeakPolarHBondContact O-CA 3.25Å; N443-W446 WeakPolarHBondContact O-CB 3.43Å; N443-W446 PolarHBondContact O-N 2.99Å
444	V	94.2	Very high	85.4	Confident	28 Å²	28	42.1 Å²	42.1	17%	0.17	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	134.4	176.9	-176.4	0	0	0	0	111.1	W446 I459 R872 F889	V444-W446 VanDerWaalsContact C-N 3.35Å; V444-I459 HydrophobicContact CG1-CD1 4.41Å; V444-I459 HydrophobicContact CG1-CG2 4.05Å; V444-R872 HydrophobicContact CG1-CB 3.52Å; V444-R872 HydrophobicContact CG1-CG 3.97Å; V444-R872 HydrophobicContact CG2-CG 4.27Å; V444-F889 HydrophobicContact CB-CB 4.49Å; V444-F889 HydrophobicContact CB-CD1 4.45Å; V444-F889 HydrophobicContact CB-CG 4.32Å; V444-F889 HydrophobicContact CG1-CB 3.74Å; V444-F889 HydrophobicContact CG1-CD2 4.48Å; V444-F889 HydrophobicContact CG1-CG 4.04Å; V444-F889 HydrophobicContact CG2-CD2 4.35Å; V444-F889 HydrophobicContact CG2-CG 4.43Å
445	G	93.9	Very high	86.9	Confident	4 Å²	4	41.8 Å²	41.8	4%	0.041	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.4	8	-170.9	0	0	0	0	0	114.1	N443 D456	N443-G445 PolarHBondContact O-N 3.35Å; G445-D456 CarbonylContact C-O 3.58Å; G445-D456 PolarHBondContact O-N 2.68Å
446	W	95.6	Very high	88.7	Confident	55 Å²	55	37.8 Å²	37.8	21%	0.208	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	144.1	174	-54.5	79.7	0	0	0	111.1	N427 C442 N443 V444 C453 G454 M455	N427-W446 HydrophobicContact CB-CD2 3.49Å; N427-W446 VanDerWaalsContact CB-CD2 3.49Å; N427-W446 HydrophobicContact CB-CE3 3.82Å; N427-W446 HydrophobicContact CB-CG 3.79Å; N427-W446 HydrophobicContact CB-CZ2 4.24Å; N427-W446 HydrophobicContact CB-CZ3 4.34Å; N427-W446 WeakPolarHBondContact ND2-CH2 3.27Å; N427-W446 WeakPolarHBondContact ND2-CZ3 3.02Å; N427-W446 WeakPolarHBondContact OD1-CZ2 3.47Å; C442-W446 HydrophobicContact CB-CB 4.1Å; C442-W446 VanDerWaalsContact CB-O 3.3Å; C442-W446 WeakPolarHBondContact CB-O 3.27Å; N443-W446 WeakPolarHBondContact O-CA 3.25Å; N443-W446 WeakPolarHBondContact O-CB 3.43Å; N443-W446 PolarHBondContact O-N 2.99Å; V444-W446 VanDerWaalsContact C-N 3.35Å; W446-C453 HydrophobicContact CB-CB 4.18Å; W446-G454 CarbonylContact C-O 3.6Å; W446-G454 WeakPolarHBondContact CA-O 2.99Å; W446-G454 WeakPolarHBondContact CB-O 3.35Å; W446-G454 VanDerWaalsContact CE3-O 3.32Å; W446-M455 HydrophobicContact CE3-CG 4.2Å; W446-M455 HydrophobicContact CH2-CE 3.93Å; W446-M455 HydrophobicContact CH2-CG 3.84Å; W446-M455 HydrophobicContact CZ2-CE 4.29Å; W446-M455 HydrophobicContact CZ2-CG 4.41Å; W446-M455 HydrophobicContact CZ3-CG 3.72Å
447	A	95.2	Very high	90.4	Very high	4 Å²	4	39.5 Å²	39.5	3%	0.033	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	155.7	178	0	0	0	0	0	111.8	C453 G454 D456 G461 P463 L467	A447-C453 CarbonylContact O-C 3.55Å; A447-C453 WeakPolarHBondContact O-CA 3.43Å; A447-G454 PolarHBondContact N-O 3.02Å; A447-G454 PolarHBondContact O-N 3.05Å; A447-D456 HydrophobicContact CB-CB 3.74Å; A447-G461 VanDerWaalsContact CB-C 3.5Å; A447-G461 WeakPolarHBondContact CB-O 3.39Å; A447-P463 HydrophobicContact CB-CB 4.19Å; A447-P463 HydrophobicContact CB-CG 4.5Å; A447-L467 WeakPolarHBondContact O-CD1 3.43Å
448	G	93.4	Very high	91.7	Very high	15 Å²	15	33.8 Å²	33.8	16%	0.155	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	146.5	-171.9	-176	0	0	0	0	0	112.9	G450 T452 H475	G448-G450 PolarHBondContact O-N 3.02Å; G448-T452 WeakPolarHBondContact CA-O 3.16Å; G448-H475 VanDerWaalsContact CA-O 3.29Å; G448-H475 WeakPolarHBondContact CA-O 3.22Å; G448-H475 PolarHBondContact N-O 3.34Å
449	N	90	Very high	92.7	Very high	23 Å²	23	31.9 Å²	31.9	12%	0.123	17%	0.173	C	C	.	.	S	Bend	trans	-84.1	13.7	178.9	71.1	-6.8	0	0	0	113.8	H451 T452 D471 D473	N449-H451 PolarHBondContact O-N 3.34Å; N449-H451 PolarHBondContact OD1-N 3.08Å; N449-H451 VanDerWaalsContact OD1-N 3.14Å; N449-T452 PolarHBondContact OD1-N 2.8Å; N449-T452 PolarHBondContact OD1-O 2.67Å; N449-D471 PolarHBondContact ND2-OD1 3.32Å; N449-D471 PolarHBondContact ND2-OD2 3.15Å; N449-D473 HydrophobicContact CB-CB 3.99Å
450	G	89.9	Confident	93.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.166	C	C	.	.	S	Bend	trans	77.3	-28.2	-176.6	0	0	0	0	0	115.6	D425 A428 C440 G448	D425-G450 PolarHBondContact N-O 3.48Å; A428-G450 WeakPolarHBondContact CB-O 3.45Å; C440-G450 WeakPolarHBondContact CB-O 3.31Å; C440-G450 WeakPolarHBondContact O-CA 3.33Å; G448-G450 PolarHBondContact O-N 3.02Å
451	H	89.1	Confident	93.7	Very high	97 Å²	97	30.6 Å²	30.6	45%	0.449	17%	0.166	S	C	.	.	S	Bend	trans	-83.9	-27.8	172.6	-67	-65.8	0	0	0	112.7	P423 C440 N449	P423-H451 PolarHBondContact O-ND1 2.88Å; C440-H451 VanDerWaalsContact SG-CE1 3.57Å; N449-H451 PolarHBondContact O-N 3.34Å; N449-H451 PolarHBondContact OD1-N 3.08Å; N449-H451 VanDerWaalsContact OD1-N 3.14Å
452	T	92.4	Very high	94	Very high	42 Å²	42	28.5 Å²	28.5	26%	0.258	16%	0.158	S	C	.	.	S	Bend	trans	-133.6	116.7	171.3	-60.2	0	0	0	0	107.4	G448 N449 L467	G448-T452 WeakPolarHBondContact CA-O 3.16Å; N449-T452 PolarHBondContact OD1-N 2.8Å; N449-T452 PolarHBondContact OD1-O 2.67Å; T452-L467 HydrophobicContact CG2-CB 4.2Å
453	C	94.3	Very high	94.1	Very high	12 Å²	12	27.2 Å²	27.2	8%	0.081	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	136.4	179.5	-60.9	0	0	0	0	110.8	D425 N427 C442 W446 A447	D425-C453 HydrophobicContact CB-CB 4.18Å; D425-C453 PolarHBondContact OD2-N 2.83Å; N427-C453 HydrophobicContact CB-CB 4.35Å; C442-C453 VanDerWaalsContact CA-SG 3.54Å; C442-C453 HydrophobicContact CB-CB 3.98Å; C442-C453 WeakPolarHBondContact CB-SG 3.26Å; C442-C453 WeakPolarHBondContact SG-CB 3.22Å; C442-C453 CovalentContact SG-SG 2.05Å; C442-C453 PolarHBondContact SG-SG 2.93Å; W446-C453 HydrophobicContact CB-CB 4.18Å; A447-C453 CarbonylContact O-C 3.55Å; A447-C453 WeakPolarHBondContact O-CA 3.43Å
454	G	94.9	Very high	94.2	Very high	9 Å²	9	25.5 Å²	25.5	9%	0.093	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	164.2	174.5	0	0	0	0	0	111.3	W446 A447 L467	W446-G454 CarbonylContact C-O 3.6Å; W446-G454 WeakPolarHBondContact CA-O 2.99Å; W446-G454 WeakPolarHBondContact CB-O 3.35Å; W446-G454 VanDerWaalsContact CE3-O 3.32Å; A447-G454 PolarHBondContact N-O 3.02Å; A447-G454 PolarHBondContact O-N 3.05Å; G454-L467 VanDerWaalsContact N-CD1 3.31Å
455	M	95.6	Very high	94.2	Very high	119 Å²	119	33.5 Å²	33.5	59%	0.586	17%	0.168	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.8	138.9	172.4	-76	-178.5	162	0	0	110	W446 P463 D464	W446-M455 HydrophobicContact CE3-CG 4.2Å; W446-M455 HydrophobicContact CH2-CE 3.93Å; W446-M455 HydrophobicContact CH2-CG 3.84Å; W446-M455 HydrophobicContact CZ2-CE 4.29Å; W446-M455 HydrophobicContact CZ2-CG 4.41Å; W446-M455 HydrophobicContact CZ3-CG 3.72Å; M455-P463 WeakPolarHBondContact O-CA 3.44Å; M455-D464 PolarHBondContact O-N 2.03Å
456	D	96.6	Very high	94.2	Very high	7 Å²	7	37.3 Å²	37.3	4%	0.037	19%	0.193	C	C	.	.			trans	-128.3	103.2	176.1	172.1	-1.5	0	0	0	106.1	G445 A447 I459 D460 G461	G445-D456 CarbonylContact C-O 3.58Å; G445-D456 PolarHBondContact O-N 2.68Å; A447-D456 HydrophobicContact CB-CB 3.74Å; D456-I459 WeakPolarHBondContact OD1-CA 3.07Å; D456-I459 PolarHBondContact OD1-N 2.72Å; D456-I459 WeakPolarHBondContact OD2-CA 3.25Å; D456-D460 PolarHBondContact OD1-N 2.97Å; D456-G461 PolarHBondContact OD2-N 2.77Å
457	T	95.3	Very high	94.1	Very high	63 Å²	63	36 Å²	36	39%	0.387	19%	0.191	S	C	.	.	S	Bend	trans	-74.8	-40.1	-168.4	-65.9	0	0	0	0	112.4	D464 F483	T457-D464 WeakPolarHBondContact CB-OD1 3.46Å; T457-D464 PolarHBondContact N-OD1 3.4Å; T457-D464 VanDerWaalsContact OG1-CG 3.28Å; T457-D464 PolarHBondContact OG1-OD1 3.13Å; T457-D464 PolarHBondContact OG1-OD2 3.35Å; T457-F483 HydrophobicContact CG2-CD1 3.96Å; T457-F483 HydrophobicContact CG2-CE1 4.17Å
458	D	95.4	Very high	93.9	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.011	22%	0.223	C	C	.	.	S	Bend	trans	-105.4	-0.1	-175	61.4	-5.9	0	0	0	113.4	C481 F483 T484 P485 T774 S870	D458-C481 VanDerWaalsContact OD2-O 3.13Å; D458-F483 PolarHBondContact OD2-N 3.01Å; D458-T484 PolarHBondContact OD2-N 2.94Å; D458-P485 HydrophobicContact CB-CG 4Å; D458-P485 WeakPolarHBondContact O-CG 3.42Å; D458-T774 VanDerWaalsContact O-CG2 3.3Å; D458-T774 WeakPolarHBondContact O-CG2 3.11Å; D458-S870 WeakPolarHBondContact CA-OG 3.37Å; D458-S870 WeakPolarHBondContact O-CB 3.02Å; D458-S870 PolarHBondContact O-OG 2.77Å
459	I	96.1	Very high	93.6	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.021	22%	0.221	C	C	.	.			trans	68.5	35.2	164.7	-36.6	172.2	0	0	0	112.5	V444 D456 T774 R872	V444-I459 HydrophobicContact CG1-CD1 4.41Å; V444-I459 HydrophobicContact CG1-CG2 4.05Å; D456-I459 WeakPolarHBondContact OD1-CA 3.07Å; D456-I459 PolarHBondContact OD1-N 2.72Å; D456-I459 WeakPolarHBondContact OD2-CA 3.25Å; I459-T774 HydrophobicContact CB-CG2 4.04Å; I459-T774 WeakPolarHBondContact O-CB 3.46Å; I459-T774 PolarHBondContact O-OG1 3.09Å; I459-R872 HydrophobicContact CD1-CB 4.42Å; I459-R872 HydrophobicContact CG2-CB 4.08Å; I459-R872 HydrophobicContact CG2-CG 4.42Å
460	D	94.9	Very high	93.2	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	26%	0.261	C	S	.	.	S	Bend	trans	-94.6	-2.9	179.8	75.5	0.3	0	0	0	113.5	D456 Y462 P485 N486 S487 Q489 N925	D456-D460 PolarHBondContact OD1-N 2.97Å; D460-Y462 PolarHBondContact OD1-N 3.01Å; D460-P485 HydrophobicContact CB-CB 3.97Å; D460-N486 PolarHBondContact OD2-N 2.99Å; D460-N486 VanDerWaalsContact OD2-N 3.08Å; D460-N486 PolarHBondContact OD2-OD1 3.48Å; D460-S487 VanDerWaalsContact O-CB 3.31Å; D460-S487 WeakPolarHBondContact O-CB 2.98Å; D460-Q489 PolarHBondContact OD2-OE1 3.44Å; D460-N925 WeakPolarHBondContact O-CB 3.39Å; D460-N925 PolarHBondContact O-ND2 2.96Å
461	G	94.2	Very high	92.9	Very high	10 Å²	10	53.5 Å²	53.5	10%	0.103	28%	0.283	C	S	.	.	S	Bend	trans	95	7.7	179	0	0	0	0	0	114.6	A447 D456 H475	A447-G461 VanDerWaalsContact CB-C 3.5Å; A447-G461 WeakPolarHBondContact CB-O 3.39Å; D456-G461 PolarHBondContact OD2-N 2.77Å; G461-H475 PolarHBondContact O-ND1 2.8Å
462	Y	95.9	Very high	92.5	Very high	19 Å²	19	55.9 Å²	55.9	8%	0.075	30%	0.299	C	S	.	.	S	Bend	trans	-115.7	137.6	169.6	-69.9	-96.8	0	0	0	111.7	D460 K474 S487 Q489	D460-Y462 PolarHBondContact OD1-N 3.01Å; Y462-K474 VanDerWaalsContact CE1-O 3.32Å; Y462-K474 WeakPolarHBondContact CE1-O 3.25Å; Y462-S487 VanDerWaalsContact CE2-O 3.31Å; Y462-S487 WeakPolarHBondContact CE2-O 3.37Å; Y462-Q489 HydrophobicContact CD1-CG 3.84Å; Y462-Q489 HydrophobicContact CD2-CG 3.64Å; Y462-Q489 HydrophobicContact CE1-CG 3.66Å; Y462-Q489 HydrophobicContact CE2-CG 3.46Å; Y462-Q489 VanDerWaalsContact CE2-CG 3.46Å; Y462-Q489 HydrophobicContact CG-CG 3.81Å; Y462-Q489 VanDerWaalsContact CG-OE1 3.25Å; Y462-Q489 VanDerWaalsContact CZ-CG 3.44Å
463	P	96.2	Very high	92.2	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.3	C	S	.	.			trans	-78.3	146.9	-178.4	30	-36	0	0	0	111.7	A447 M455 R465 L467 H475 K477 D479	A447-P463 HydrophobicContact CB-CB 4.19Å; A447-P463 HydrophobicContact CB-CG 4.5Å; M455-P463 WeakPolarHBondContact O-CA 3.44Å; P463-R465 PolarHBondContact O-N 2.73Å; P463-L467 HydrophobicContact CB-CD1 3.94Å; P463-L467 HydrophobicContact CB-CG 4.12Å; P463-L467 HydrophobicContact CG-CD1 3.78Å; P463-L467 HydrophobicContact CG-CG 3.88Å; P463-H475 WeakPolarHBondContact CD-O 3.17Å; P463-K477 WeakPolarHBondContact CD-O 3.39Å; P463-K477 VanDerWaalsContact CG-O 3.3Å; P463-K477 WeakPolarHBondContact CG-O 3.38Å; P463-D479 PolarHBondContact O-N 2.89Å
464	D	95.6	Very high	91.9	Very high	21 Å²	21	60.8 Å²	60.8	11%	0.112	32%	0.318	C	S	.	.	S	Bend	trans	-53.1	-23.7	177.1	-58.4	-14.9	0	0	0	113.5	M455 T457 Q478 M482	M455-D464 PolarHBondContact O-N 2.03Å; T457-D464 WeakPolarHBondContact CB-OD1 3.46Å; T457-D464 PolarHBondContact N-OD1 3.4Å; T457-D464 VanDerWaalsContact OG1-CG 3.28Å; T457-D464 PolarHBondContact OG1-OD1 3.13Å; T457-D464 PolarHBondContact OG1-OD2 3.35Å; D464-Q478 WeakPolarHBondContact O-CG 3.48Å; D464-Q478 PolarHBondContact O-NE2 2.98Å; D464-M482 HydrophobicContact CB-CE 4.07Å; D464-M482 HydrophobicContact CB-CG 4.39Å; D464-M482 HydrophobicContact CB-SD 4.46Å
465	R	93.9	Very high	91.7	Very high	197 Å²	197	63 Å²	63	74%	0.743	33%	0.326	S	S	*	.	S	Bend	trans	-141.6	144.1	-179.1	-61.3	-176.7	-175.6	174.9	3.9	109.9	P463 L467	P463-R465 PolarHBondContact O-N 2.73Å; R465-L467 PolarHBondContact O-N 3.41Å
466	S	94	Very high	91.6	Very high	83 Å²	83	57.6 Å²	57.6	58%	0.58	30%	0.3	S	S	*	.			trans	-57.8	132.6	176.2	179.5	0	0	0	0	112	C476	S466-C476 WeakPolarHBondContact CA-O 3.13Å; S466-C476 PolarHBondContact OG-O 3.22Å
467	L	94.3	Very high	91.5	Very high	29 Å²	29	63.6 Å²	63.6	15%	0.152	33%	0.326	C	S	.	.			trans	-101.6	146.6	-177.4	-58.7	176.6	0	0	0	111.4	A447 T452 G454 P463 R465 C469 C476	A447-L467 WeakPolarHBondContact O-CD1 3.43Å; T452-L467 HydrophobicContact CG2-CB 4.2Å; G454-L467 VanDerWaalsContact N-CD1 3.31Å; P463-L467 HydrophobicContact CB-CD1 3.94Å; P463-L467 HydrophobicContact CB-CG 4.12Å; P463-L467 HydrophobicContact CG-CD1 3.78Å; P463-L467 HydrophobicContact CG-CG 3.88Å; R465-L467 PolarHBondContact O-N 3.41Å; L467-C469 PolarHBondContact O-N 2.87Å; L467-C476 HydrophobicContact CB-CB 4.09Å; L467-C476 PolarHBondContact N-O 3.35Å
468	P	90.8	Very high	91.5	Very high	110 Å²	110	66.5 Å²	66.5	71%	0.714	34%	0.335	S	S	*	.			trans	-80.6	56.8	-179	35.6	-37.6	0	0	0	112.2
469	C	87.4	Confident	91.5	Very high	16 Å²	16	66.7 Å²	66.7	11%	0.108	34%	0.336	C	S	.	.			trans	-75.6	132.1	179.7	-59.5	0	0	0	0	111	L467 D471 C476	L467-C469 PolarHBondContact O-N 2.87Å; C469-D471 VanDerWaalsContact CB-OD1 3.31Å; C469-D471 WeakPolarHBondContact CB-OD1 3.23Å; C469-C476 HydrophobicContact CB-CB 3.51Å; C469-C476 WeakPolarHBondContact CB-SG 3.08Å; C469-C476 WeakPolarHBondContact SG-CB 3.38Å; C469-C476 CovalentContact SG-SG 2.01Å; C469-C476 PolarHBondContact SG-SG 3.12Å
470	M	79.9	Confident	91.5	Very high	194 Å²	194	67.9 Å²	67.9	96%	0.956	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-24.6	-174.6	-71.2	-158.8	65.9	0	0	113.8	N472	M470-N472 VanDerWaalsContact C-N 3.33Å
471	D	83.5	Confident	91.6	Very high	88 Å²	88	68 Å²	68	47%	0.471	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-6.3	179.2	48.5	4.3	0	0	0	113.3	N449 C469 D473	N449-D471 PolarHBondContact ND2-OD1 3.32Å; N449-D471 PolarHBondContact ND2-OD2 3.15Å; C469-D471 VanDerWaalsContact CB-OD1 3.31Å; C469-D471 WeakPolarHBondContact CB-OD1 3.23Å; D471-D473 PolarHBondContact O-N 2.83Å
472	N	80.6	Confident	91.6	Very high	147 Å²	147	70.9 Å²	70.9	79%	0.786	35%	0.354	S	S	*	.			trans	58.9	33	-179.7	-145.1	40.6	0	0	0	112.5	M470	M470-N472 VanDerWaalsContact C-N 3.33Å
473	D	87.1	Confident	91.5	Very high	53 Å²	53	76.4 Å²	76.4	28%	0.283	38%	0.379	S	S	.	.			trans	-54.8	142.6	178.1	-164.6	-50.3	0	0	0	111.8	N449 D471 H475 C476	N449-D473 HydrophobicContact CB-CB 3.99Å; D471-D473 PolarHBondContact O-N 2.83Å; D473-H475 VanDerWaalsContact C-N 3.27Å; D473-H475 PolarHBondContact O-N 3.04Å; D473-H475 IonicContact OD1-CD2 3.55Å; D473-H475 IonicContact OD1-CG 3.64Å; D473-H475 PolarHBondContact OD1-N 2.85Å; D473-C476 WeakPolarHBondContact O-CB 3.4Å; D473-C476 PolarHBondContact O-N 2.81Å
474	K	88.5	Confident	91.5	Very high	105 Å²	105	77.3 Å²	77.3	46%	0.457	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-60.8	-37.5	178.2	69.6	177.9	-172.4	173	0	111.7	Y462 C476 K477	Y462-K474 VanDerWaalsContact CE1-O 3.32Å; Y462-K474 WeakPolarHBondContact CE1-O 3.25Å; K474-C476 PolarHBondContact O-N 2.95Å; K474-K477 WeakPolarHBondContact O-CB 3.28Å; K474-K477 PolarHBondContact O-N 3.31Å; K474-K477 VanDerWaalsContact O-N 3.09Å
475	H	89.8	Confident	91.6	Very high	55 Å²	55	76.3 Å²	76.3	26%	0.255	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-74	5.6	-179.8	-64.7	-70.1	0	0	0	113.4	G448 G461 P463 D473	G448-H475 VanDerWaalsContact CA-O 3.29Å; G448-H475 WeakPolarHBondContact CA-O 3.22Å; G448-H475 PolarHBondContact N-O 3.34Å; G461-H475 PolarHBondContact O-ND1 2.8Å; P463-H475 WeakPolarHBondContact CD-O 3.17Å; D473-H475 VanDerWaalsContact C-N 3.27Å; D473-H475 PolarHBondContact O-N 3.04Å; D473-H475 IonicContact OD1-CD2 3.55Å; D473-H475 IonicContact OD1-CG 3.64Å; D473-H475 PolarHBondContact OD1-N 2.85Å
476	C	93.8	Very high	91.7	Very high	6 Å²	6	67 Å²	67	4%	0.041	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-105.8	-3.1	171.8	-65.2	0	0	0	0	113.4	S466 L467 C469 D473 K474	S466-C476 WeakPolarHBondContact CA-O 3.13Å; S466-C476 PolarHBondContact OG-O 3.22Å; L467-C476 HydrophobicContact CB-CB 4.09Å; L467-C476 PolarHBondContact N-O 3.35Å; C469-C476 HydrophobicContact CB-CB 3.51Å; C469-C476 WeakPolarHBondContact CB-SG 3.08Å; C469-C476 WeakPolarHBondContact SG-CB 3.38Å; C469-C476 CovalentContact SG-SG 2.01Å; C469-C476 PolarHBondContact SG-SG 3.12Å; D473-C476 WeakPolarHBondContact O-CB 3.4Å; D473-C476 PolarHBondContact O-N 2.81Å; K474-C476 PolarHBondContact O-N 2.95Å
477	K	94.1	Very high	91.7	Very high	133 Å²	133	63.2 Å²	63.2	58%	0.578	32%	0.318	S	S	*	.	S	Bend	trans	-71.7	153.7	171.8	-66.9	-178.4	-178.9	176.3	0	109.8	P463 K474	P463-K477 WeakPolarHBondContact CD-O 3.39Å; P463-K477 VanDerWaalsContact CG-O 3.3Å; P463-K477 WeakPolarHBondContact CG-O 3.38Å; K474-K477 WeakPolarHBondContact O-CB 3.28Å; K474-K477 PolarHBondContact O-N 3.31Å; K474-K477 VanDerWaalsContact O-N 3.09Å
478	Q	94.9	Very high	91.7	Very high	123 Å²	123	62.8 Å²	62.8	58%	0.575	32%	0.321	S	S	*	.	P	Polyproline II helix	trans	-68.4	136.4	174.3	178.8	173.1	-2	0	0	109.1	D464	D464-Q478 WeakPolarHBondContact O-CG 3.48Å; D464-Q478 PolarHBondContact O-NE2 2.98Å
479	D	97.1	Very high	92	Very high	6 Å²	6	59 Å²	59	3%	0.032	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-63.2	130.4	169.6	177.3	14.3	0	0	0	111.7	P463 C481 M482 N486 Q489	P463-D479 PolarHBondContact O-N 2.89Å; D479-C481 PolarHBondContact OD1-N 2.9Å; D479-M482 WeakPolarHBondContact OD2-CA 3.16Å; D479-M482 PolarHBondContact OD2-N 2.86Å; D479-N486 PolarHBondContact OD1-OD1 2.02Å; D479-Q489 PolarHBondContact OD1-NE2 3.14Å; D479-Q489 PolarHBondContact OD1-OE1 3.35Å
480	N	96.1	Very high	92.3	Very high	29 Å²	29	61.1 Å²	61.1	16%	0.155	30%	0.302	C	S	.	.	S	Bend	trans	-82	-9.2	176.3	65.3	0.7	0	0	0	113.8	N486 Q489 G496 G498 C501	N480-N486 PolarHBondContact OD1-ND2 3.05Å; N480-Q489 PolarHBondContact ND2-O 3.26Å; N480-Q489 VanDerWaalsContact ND2-O 3.16Å; N480-Q489 PolarHBondContact OD1-NE2 3.34Å; N480-G496 WeakPolarHBondContact CB-O 3.36Å; N480-G498 VanDerWaalsContact CG-CA 3.41Å; N480-G498 WeakPolarHBondContact ND2-CA 3.31Å; N480-G498 PolarHBondContact O-N 2.65Å; N480-C501 PolarHBondContact O-SG 3.1Å; N480-C501 VanDerWaalsContact O-SG 3.42Å
481	C	95.7	Very high	93.1	Very high	4 Å²	4	53.4 Å²	53.4	3%	0.027	26%	0.264	C	S	.	.	S	Bend	trans	-138	55.8	173.4	-71.2	0	0	0	0	115.3	D458 D479 F483 T484 N486 G498 C501	D458-C481 VanDerWaalsContact OD2-O 3.13Å; D479-C481 PolarHBondContact OD1-N 2.9Å; C481-F483 PolarHBondContact O-N 2.72Å; C481-T484 PolarHBondContact O-N 2.98Å; C481-N486 WeakPolarHBondContact CB-OD1 2.97Å; C481-G498 VanDerWaalsContact SG-C 3.56Å; C481-G498 WeakPolarHBondContact SG-CA 3.4Å; C481-G498 PolarHBondContact SG-N 2.89Å; C481-G498 PolarHBondContact SG-O 3.19Å; C481-C501 WeakPolarHBondContact CA-SG 3.27Å; C481-C501 HydrophobicContact CB-CB 3.75Å; C481-C501 WeakPolarHBondContact CB-SG 3.04Å; C481-C501 WeakPolarHBondContact SG-CB 3.35Å; C481-C501 PolarHBondContact SG-N 2.74Å; C481-C501 CovalentContact SG-SG 2.04Å; C481-C501 PolarHBondContact SG-SG 2.76Å
482	M	94.8	Very high	93.6	Very high	70 Å²	70	51.2 Å²	51.2	35%	0.345	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-27	-28	-178.9	-172.1	179.7	173.8	0	0	121.2	D464 D479	D464-M482 HydrophobicContact CB-CE 4.07Å; D464-M482 HydrophobicContact CB-CG 4.39Å; D464-M482 HydrophobicContact CB-SD 4.46Å; D479-M482 WeakPolarHBondContact OD2-CA 3.16Å; D479-M482 PolarHBondContact OD2-N 2.86Å
483	F	94.6	Very high	94.2	Very high	135 Å²	135	46.9 Å²	46.9	59%	0.592	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.4	1.6	-176.3	-57.8	-65.9	0	0	0	114	T457 D458 C481	T457-F483 HydrophobicContact CG2-CD1 3.96Å; T457-F483 HydrophobicContact CG2-CE1 4.17Å; D458-F483 PolarHBondContact OD2-N 3.01Å; C481-F483 PolarHBondContact O-N 2.72Å
484	T	95.1	Very high	94.6	Very high	19 Å²	19	50.5 Å²	50.5	12%	0.117	26%	0.255	C	S	.	.	S	Bend	trans	-137.2	107.9	-175	-57.4	0	0	0	0	107.9	D458 C481 N486 Q500 N778 I922	D458-T484 PolarHBondContact OD2-N 2.94Å; C481-T484 PolarHBondContact O-N 2.98Å; T484-N486 PolarHBondContact O-N 2.97Å; T484-N486 PolarHBondContact O-OD1 3.27Å; T484-Q500 HydrophobicContact CG2-CG 3.61Å; T484-N778 WeakPolarHBondContact CG2-ND2 3.42Å; T484-I922 HydrophobicContact CG2-CD1 4.02Å
485	P	96.8	Very high	94.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.256	C	S	.	.			trans	-55	124.5	-173.3	-25.7	33.2	0	0	0	111.6	D458 D460 T774 H776 S870 I922 S924	D458-P485 HydrophobicContact CB-CG 4Å; D458-P485 WeakPolarHBondContact O-CG 3.42Å; D460-P485 HydrophobicContact CB-CB 3.97Å; P485-T774 HydrophobicContact CG-CG2 4.24Å; P485-H776 HydrophobicContact CG-CB 3.73Å; P485-S870 WeakPolarHBondContact CG-OG 3.35Å; P485-I922 HydrophobicContact CB-CG2 4.33Å; P485-S924 VanDerWaalsContact CB-CB 3.43Å
486	N	96	Very high	95	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.011	27%	0.267	C	S	.	.			trans	-146.9	66.1	176	67.8	-40.9	0	0	0	109.1	D460 D479 N480 C481 T484 G488 Q489 Q500 E748	D460-N486 PolarHBondContact OD2-N 2.99Å; D460-N486 VanDerWaalsContact OD2-N 3.08Å; D460-N486 PolarHBondContact OD2-OD1 3.48Å; D479-N486 PolarHBondContact OD1-OD1 2.02Å; N480-N486 PolarHBondContact OD1-ND2 3.05Å; C481-N486 WeakPolarHBondContact CB-OD1 2.97Å; T484-N486 PolarHBondContact O-N 2.97Å; T484-N486 PolarHBondContact O-OD1 3.27Å; N486-G488 PolarHBondContact O-N 3.39Å; N486-Q489 WeakPolarHBondContact O-CA 3.25Å; N486-Q489 PolarHBondContact O-N 3.5Å; N486-Q489 PolarHBondContact O-OE1 3.35Å; N486-Q500 HydrophobicContact CB-CB 3.83Å; N486-Q500 HydrophobicContact CB-CG 4.32Å; N486-E748 WeakPolarHBondContact CA-OE2 3.36Å
487	S	95.4	Very high	95.1	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.021	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-11.6	-172.2	59.4	0	0	0	0	115.7	D460 Y462 N744 E748 S924 N925	D460-S487 VanDerWaalsContact O-CB 3.31Å; D460-S487 WeakPolarHBondContact O-CB 2.98Å; Y462-S487 VanDerWaalsContact CE2-O 3.31Å; Y462-S487 WeakPolarHBondContact CE2-O 3.37Å; S487-N744 WeakPolarHBondContact CB-ND2 3.39Å; S487-N744 PolarHBondContact O-ND2 2.93Å; S487-N744 PolarHBondContact OG-ND2 2.75Å; S487-E748 PolarHBondContact N-OE2 2.99Å; S487-E748 PolarHBondContact OG-OE2 2.92Å; S487-S924 WeakPolarHBondContact CB-OG 3.28Å; S487-S924 PolarHBondContact OG-OG 3.42Å; S487-N925 PolarHBondContact OG-N 2.83Å; S487-N925 VanDerWaalsContact OG-N 3.14Å
488	G	94.8	Very high	95.1	Very high	21 Å²	21	46.2 Å²	46.2	22%	0.216	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-16.3	170.6	0	0	0	0	0	114.5	N486 E490 N744	N486-G488 PolarHBondContact O-N 3.39Å; G488-E490 WeakPolarHBondContact CA-OE2 3.5Å; G488-E490 PolarHBondContact O-N 3.25Å; G488-N744 VanDerWaalsContact CA-CG 3.44Å; G488-N744 WeakPolarHBondContact CA-OD1 3.36Å
489	Q	95.6	Very high	95.1	Very high	31 Å²	31	41.7 Å²	41.7	15%	0.145	24%	0.235	C	C	.	.			trans	49.7	33.9	-174	-51.4	-63.2	133.1	0	0	113.3	D460 Y462 D479 N480 N486 D491	D460-Q489 PolarHBondContact OD2-OE1 3.44Å; Y462-Q489 HydrophobicContact CD1-CG 3.84Å; Y462-Q489 HydrophobicContact CD2-CG 3.64Å; Y462-Q489 HydrophobicContact CE1-CG 3.66Å; Y462-Q489 HydrophobicContact CE2-CG 3.46Å; Y462-Q489 VanDerWaalsContact CE2-CG 3.46Å; Y462-Q489 HydrophobicContact CG-CG 3.81Å; Y462-Q489 VanDerWaalsContact CG-OE1 3.25Å; Y462-Q489 VanDerWaalsContact CZ-CG 3.44Å; D479-Q489 PolarHBondContact OD1-NE2 3.14Å; D479-Q489 PolarHBondContact OD1-OE1 3.35Å; N480-Q489 PolarHBondContact ND2-O 3.26Å; N480-Q489 VanDerWaalsContact ND2-O 3.16Å; N480-Q489 PolarHBondContact OD1-NE2 3.34Å; N486-Q489 WeakPolarHBondContact O-CA 3.25Å; N486-Q489 PolarHBondContact O-N 3.5Å; N486-Q489 PolarHBondContact O-OE1 3.35Å; Q489-D491 PolarHBondContact O-N 3.32Å
490	E	94.8	Very high	94.9	Very high	59 Å²	59	44 Å²	44	28%	0.276	25%	0.246	S	C	.	.			trans	-58.2	136	176.1	-62.9	86.2	169.3	0	0	110.7	G488 G498 D499 N744	G488-E490 WeakPolarHBondContact CA-OE2 3.5Å; G488-E490 PolarHBondContact O-N 3.25Å; E490-G498 CarbonylContact O-C 3.58Å; E490-G498 VanDerWaalsContact O-CA 3.31Å; E490-G498 WeakPolarHBondContact O-CA 3.1Å; E490-D499 WeakPolarHBondContact CB-OD2 3.29Å; E490-D499 PolarHBondContact O-N 3.47Å; E490-N744 PolarHBondContact OE1-N 3.46Å
491	D	95.1	Very high	94.7	Very high	32 Å²	32	45.2 Å²	45.2	17%	0.171	26%	0.256	C	S	.	.			trans	-152.4	91.5	-174	175.3	-4.6	0	0	0	107.2	Q489 N494 D495 G496 D499	Q489-D491 PolarHBondContact O-N 3.32Å; D491-N494 VanDerWaalsContact CG-CA 3.5Å; D491-N494 PolarHBondContact O-ND2 2.82Å; D491-N494 WeakPolarHBondContact OD1-CA 3.12Å; D491-N494 PolarHBondContact OD1-N 3.18Å; D491-N494 WeakPolarHBondContact OD2-CA 3.34Å; D491-D495 PolarHBondContact OD1-N 2.8Å; D491-G496 WeakPolarHBondContact OD2-CA 3.36Å; D491-G496 PolarHBondContact OD2-N 3.33Å; D491-G496 VanDerWaalsContact OD2-N 3.11Å; D491-D499 VanDerWaalsContact CA-OD1 3.32Å; D491-D499 WeakPolarHBondContact CA-OD1 3.49Å
492	A	94.3	Very high	94.7	Very high	43 Å²	43	46.3 Å²	46.3	36%	0.355	26%	0.261	S	S	.	.	S	Bend	trans	-69.7	-39.1	-168.3	0	0	0	0	0	112.4	N494 D499 A505	A492-N494 PolarHBondContact O-ND2 2.98Å; A492-D499 PolarHBondContact N-OD1 3.14Å; A492-A505 WeakPolarHBondContact CB-O 3.05Å
493	D	94.1	Very high	94.7	Very high	55 Å²	55	49 Å²	49	29%	0.294	27%	0.273	S	S	.	.	S	Bend	trans	-92.5	-8.4	-179.8	89.5	-17.2	0	0	0	114.2	D495 A505 G507	D493-D495 VanDerWaalsContact C-N 3.3Å; D493-D495 PolarHBondContact O-N 2.84Å; D493-D495 VanDerWaalsContact OD1-CB 3.25Å; D493-D495 WeakPolarHBondContact OD1-CB 3.13Å; D493-D495 PolarHBondContact OD1-N 2.76Å; D493-A505 PolarHBondContact N-O 2.78Å; D493-G507 WeakPolarHBondContact OD2-CA 3.4Å
494	N	94.9	Very high	94.7	Very high	130 Å²	130	44.4 Å²	44.4	70%	0.695	26%	0.255	S	S	*	.			trans	60.3	32.8	-179.9	-64.8	-105.8	0	0	0	113.6	D491 A492 G496	D491-N494 VanDerWaalsContact CG-CA 3.5Å; D491-N494 PolarHBondContact O-ND2 2.82Å; D491-N494 WeakPolarHBondContact OD1-CA 3.12Å; D491-N494 PolarHBondContact OD1-N 3.18Å; D491-N494 WeakPolarHBondContact OD2-CA 3.34Å; A492-N494 PolarHBondContact O-ND2 2.98Å; N494-G496 VanDerWaalsContact C-N 3.27Å
495	D	94.4	Very high	94.7	Very high	89 Å²	89	43.5 Å²	43.5	48%	0.476	25%	0.249	S	C	.	.	S	Bend	trans	-79.8	-11	175.2	93	-11.6	0	0	0	113.5	D491 D493 I497	D491-D495 PolarHBondContact OD1-N 2.8Å; D493-D495 VanDerWaalsContact C-N 3.3Å; D493-D495 PolarHBondContact O-N 2.84Å; D493-D495 VanDerWaalsContact OD1-CB 3.25Å; D493-D495 WeakPolarHBondContact OD1-CB 3.13Å; D493-D495 PolarHBondContact OD1-N 2.76Å; D495-I497 WeakPolarHBondContact OD1-CA 3.49Å; D495-I497 VanDerWaalsContact OD1-CB 3.23Å; D495-I497 WeakPolarHBondContact OD1-CB 3.45Å; D495-I497 WeakPolarHBondContact OD1-CG1 3.21Å; D495-I497 PolarHBondContact OD1-N 2.89Å
496	G	92.4	Very high	94.6	Very high	48 Å²	48	43.9 Å²	43.9	50%	0.495	25%	0.251	S	S	.	.	S	Bend	trans	94.4	4.8	-179.9	0	0	0	0	0	114.7	N480 D491 N494	N480-G496 WeakPolarHBondContact CB-O 3.36Å; D491-G496 WeakPolarHBondContact OD2-CA 3.36Å; D491-G496 PolarHBondContact OD2-N 3.33Å; D491-G496 VanDerWaalsContact OD2-N 3.11Å; N494-G496 VanDerWaalsContact C-N 3.27Å
497	I	95.6	Very high	94.5	Very high	71 Å²	71	45.5 Å²	45.5	36%	0.364	27%	0.269	S	S	.	.	S	Bend	trans	-100.7	133.2	166.6	-55.3	175.9	0	0	0	106.9	D495 D502	D495-I497 WeakPolarHBondContact OD1-CA 3.49Å; D495-I497 VanDerWaalsContact OD1-CB 3.23Å; D495-I497 WeakPolarHBondContact OD1-CB 3.45Å; D495-I497 WeakPolarHBondContact OD1-CG1 3.21Å; D495-I497 PolarHBondContact OD1-N 2.89Å; I497-D502 HydrophobicContact CG2-CB 3.9Å
498	G	95.1	Very high	94.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	27%	0.269	C	S	.	.			trans	-77.5	152.6	-179.6	0	0	0	0	0	112.7	N480 C481 E490 Q500 C501 D502	N480-G498 VanDerWaalsContact CG-CA 3.41Å; N480-G498 WeakPolarHBondContact ND2-CA 3.31Å; N480-G498 PolarHBondContact O-N 2.65Å; C481-G498 VanDerWaalsContact SG-C 3.56Å; C481-G498 WeakPolarHBondContact SG-CA 3.4Å; C481-G498 PolarHBondContact SG-N 2.89Å; C481-G498 PolarHBondContact SG-O 3.19Å; E490-G498 CarbonylContact O-C 3.58Å; E490-G498 VanDerWaalsContact O-CA 3.31Å; E490-G498 WeakPolarHBondContact O-CA 3.1Å; G498-Q500 PolarHBondContact O-N 3.02Å; G498-C501 PolarHBondContact O-N 2.71Å; G498-D502 PolarHBondContact O-N 2.84Å
499	D	94.1	Very high	94.5	Very high	28 Å²	28	47.7 Å²	47.7	15%	0.15	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-32.7	-176	-66.5	-14.2	0	0	0	113	E490 D491 A492 C501 A505 L519	E490-D499 WeakPolarHBondContact CB-OD2 3.29Å; E490-D499 PolarHBondContact O-N 3.47Å; D491-D499 VanDerWaalsContact CA-OD1 3.32Å; D491-D499 WeakPolarHBondContact CA-OD1 3.49Å; A492-D499 PolarHBondContact N-OD1 3.14Å; D499-C501 VanDerWaalsContact C-N 3.34Å; D499-C501 PolarHBondContact O-N 3.09Å; D499-A505 HydrophobicContact CB-CB 4.36Å; D499-L519 HydrophobicContact CB-CD2 4.19Å
500	Q	92.1	Very high	94.5	Very high	56 Å²	56	47.9 Å²	47.9	26%	0.262	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-21.4	-174.3	-168.9	53.7	70.5	0	0	113.6	T484 N486 G498 I922	T484-Q500 HydrophobicContact CG2-CG 3.61Å; N486-Q500 HydrophobicContact CB-CB 3.83Å; N486-Q500 HydrophobicContact CB-CG 4.32Å; G498-Q500 PolarHBondContact O-N 3.02Å; Q500-I922 HydrophobicContact CG-CD1 4.48Å
501	C	93.2	Very high	94.5	Very high	54 Å²	54	50 Å²	50	37%	0.365	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.2	2.8	179.1	68.9	0	0	0	0	113.7	N480 C481 G498 D499	N480-C501 PolarHBondContact O-SG 3.1Å; N480-C501 VanDerWaalsContact O-SG 3.42Å; C481-C501 WeakPolarHBondContact CA-SG 3.27Å; C481-C501 HydrophobicContact CB-CB 3.75Å; C481-C501 WeakPolarHBondContact CB-SG 3.04Å; C481-C501 WeakPolarHBondContact SG-CB 3.35Å; C481-C501 PolarHBondContact SG-N 2.74Å; C481-C501 CovalentContact SG-SG 2.04Å; C481-C501 PolarHBondContact SG-SG 2.76Å; G498-C501 PolarHBondContact O-N 2.71Å; D499-C501 VanDerWaalsContact C-N 3.34Å; D499-C501 PolarHBondContact O-N 3.09Å
502	D	95	Very high	94.3	Very high	26 Å²	26	50 Å²	50	14%	0.139	30%	0.299	C	S	.	.			trans	-78.7	145.5	170.2	-153.2	-28.8	0	0	0	111.8	I497 G498 D504 A505 N512	I497-D502 HydrophobicContact CG2-CB 3.9Å; G498-D502 PolarHBondContact O-N 2.84Å; D502-D504 PolarHBondContact OD1-N 3.21Å; D502-A505 HydrophobicContact CB-CB 4.23Å; D502-N512 PolarHBondContact O-ND2 3.23Å
503	E	94.1	Very high	94.1	Very high	128 Å²	128	54.3 Å²	54.3	60%	0.598	32%	0.321	S	S	*	.	S	Bend	trans	-87.9	-18.7	172.8	-68.3	-92.4	155.2	0	0	112.7	K511 N512	E503-K511 WeakPolarHBondContact O-CA 3Å; E503-K511 IonicContact OE2-NZ 3.31Å; E503-K511 PolarHBondContact OE2-NZ 2.88Å; E503-N512 PolarHBondContact O-N 3.35Å
504	D	95.3	Very high	94	Very high	38 Å²	38	58.7 Å²	58.7	20%	0.203	34%	0.34	C	S	.	.	S	Bend	trans	-146	72	-177	177.8	13.2	0	0	0	108.3	D502 D506 G507 D508 G509 I510 N512	D502-D504 PolarHBondContact OD1-N 3.21Å; D504-D506 PolarHBondContact O-N 3.34Å; D504-D506 VanDerWaalsContact O-N 3.15Å; D504-G507 PolarHBondContact O-N 3.26Å; D504-G507 VanDerWaalsContact O-N 3.07Å; D504-G507 PolarHBondContact OD1-N 3.18Å; D504-D508 PolarHBondContact OD1-N 3.5Å; D504-G509 PolarHBondContact OD1-N 3.22Å; D504-G509 WeakPolarHBondContact OD2-CA 3.35Å; D504-G509 PolarHBondContact OD2-N 2.73Å; D504-I510 VanDerWaalsContact OD1-O 3.09Å; D504-N512 WeakPolarHBondContact CA-OD1 3.37Å
505	A	94.9	Very high	94	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-22.8	-163.4	0	0	0	0	0	114	A492 D493 D499 D502 N512 L519	A492-A505 WeakPolarHBondContact CB-O 3.05Å; D493-A505 PolarHBondContact N-O 2.78Å; D499-A505 HydrophobicContact CB-CB 4.36Å; D502-A505 HydrophobicContact CB-CB 4.23Å; A505-N512 PolarHBondContact N-OD1 3.33Å; A505-L519 HydrophobicContact CB-CD2 4.21Å
506	D	94.9	Very high	93.9	Very high	8 Å²	8	50.4 Å²	50.4	4%	0.043	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-1.8	178.7	76.9	1.3	0	0	0	113.7	D504 D508 V520 P521	D504-D506 PolarHBondContact O-N 3.34Å; D504-D506 VanDerWaalsContact O-N 3.15Å; D506-D508 VanDerWaalsContact C-N 3.26Å; D506-D508 PolarHBondContact O-N 2.86Å; D506-D508 VanDerWaalsContact OD1-CB 3.3Å; D506-D508 WeakPolarHBondContact OD1-CB 3.14Å; D506-D508 PolarHBondContact OD1-N 2.82Å; D506-V520 PolarHBondContact OD2-N 2.76Å; D506-P521 HydrophobicContact CB-CG 3.92Å; D506-P521 WeakPolarHBondContact O-CG 3.44Å; D506-P521 WeakPolarHBondContact OD2-CA 3.27Å
507	G	95.3	Very high	94	Very high	36 Å²	36	48.2 Å²	48.2	37%	0.371	27%	0.273	S	S	.	.			trans	66.6	22.6	175.4	0	0	0	0	0	114.2	D493 D504 G509	D493-G507 WeakPolarHBondContact OD2-CA 3.4Å; D504-G507 PolarHBondContact O-N 3.26Å; D504-G507 VanDerWaalsContact O-N 3.07Å; D504-G507 PolarHBondContact OD1-N 3.18Å; G507-G509 VanDerWaalsContact C-N 3.3Å
508	D	95.3	Very high	93.9	Very high	7 Å²	7	50.6 Å²	50.6	4%	0.037	28%	0.277	C	S	.	.	S	Bend	trans	-81.5	-11.9	-179.1	102.7	-12.7	0	0	0	113.2	D504 D506 I510 P521 N522 K523	D504-D508 PolarHBondContact OD1-N 3.5Å; D506-D508 VanDerWaalsContact C-N 3.26Å; D506-D508 PolarHBondContact O-N 2.86Å; D506-D508 VanDerWaalsContact OD1-CB 3.3Å; D506-D508 WeakPolarHBondContact OD1-CB 3.14Å; D506-D508 PolarHBondContact OD1-N 2.82Å; D508-I510 WeakPolarHBondContact OD1-CA 3.4Å; D508-I510 WeakPolarHBondContact OD1-CB 3.44Å; D508-I510 VanDerWaalsContact OD1-CG1 3.23Å; D508-I510 WeakPolarHBondContact OD1-CG1 3.21Å; D508-I510 PolarHBondContact OD1-N 3.01Å; D508-P521 HydrophobicContact CB-CB 3.83Å; D508-N522 PolarHBondContact OD2-N 3.03Å; D508-K523 HydrophobicContact CB-CG 4.06Å; D508-K523 WeakPolarHBondContact O-CE 3.38Å; D508-K523 PolarHBondContact O-NZ 3.26Å; D508-K523 WeakPolarHBondContact OD2-CA 3.46Å; D508-K523 PolarHBondContact OD2-N 3.26Å
509	G	94.3	Very high	93.8	Very high	62 Å²	62	54.3 Å²	54.3	64%	0.639	30%	0.296	S	S	*	.	S	Bend	trans	92	6.4	178.1	0	0	0	0	0	114.2	D504 G507	D504-G509 PolarHBondContact OD1-N 3.22Å; D504-G509 WeakPolarHBondContact OD2-CA 3.35Å; D504-G509 PolarHBondContact OD2-N 2.73Å; G507-G509 VanDerWaalsContact C-N 3.3Å
510	I	94.8	Very high	93.8	Very high	35 Å²	35	55.8 Å²	55.8	18%	0.179	31%	0.306	C	S	.	.	S	Bend	trans	-103.6	135.4	170.3	-55.3	176.3	0	0	0	107.3	D504 D508 E514 D515 Q525	D504-I510 VanDerWaalsContact OD1-O 3.09Å; D508-I510 WeakPolarHBondContact OD1-CA 3.4Å; D508-I510 WeakPolarHBondContact OD1-CB 3.44Å; D508-I510 VanDerWaalsContact OD1-CG1 3.23Å; D508-I510 WeakPolarHBondContact OD1-CG1 3.21Å; D508-I510 PolarHBondContact OD1-N 3.01Å; I510-E514 HydrophobicContact CG2-CB 4.15Å; I510-D515 HydrophobicContact CB-CB 4.34Å; I510-D515 HydrophobicContact CG2-CB 3.8Å; I510-Q525 HydrophobicContact CD1-CG 3.36Å
511	K	94.3	Very high	94	Very high	104 Å²	104	57 Å²	57	45%	0.452	32%	0.319	S	S	.	.			trans	-73.1	146.1	-178.5	-66.8	-177.4	161	-125	0	110.4	E503 V513 E514 D515	E503-K511 WeakPolarHBondContact O-CA 3Å; E503-K511 IonicContact OE2-NZ 3.31Å; E503-K511 PolarHBondContact OE2-NZ 2.88Å; K511-V513 HydrophobicContact CB-CG2 4.19Å; K511-V513 PolarHBondContact O-N 3.37Å; K511-E514 CarbonylContact O-C 3.55Å; K511-E514 WeakPolarHBondContact O-CA 3.06Å; K511-E514 PolarHBondContact O-N 2.04Å; K511-D515 WeakPolarHBondContact O-CB 3.23Å; K511-D515 PolarHBondContact O-N 3.29Å
512	N	91.4	Very high	94.1	Very high	31 Å²	31	54.7 Å²	54.7	17%	0.166	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48	-31.1	177.9	-70.1	-10.4	0	0	0	115	D502 E503 D504 A505 R518	D502-N512 PolarHBondContact O-ND2 3.23Å; E503-N512 PolarHBondContact O-N 3.35Å; D504-N512 WeakPolarHBondContact CA-OD1 3.37Å; A505-N512 PolarHBondContact N-OD1 3.33Å; N512-R518 HydrophobicContact CB-CG 3.91Å
513	V	89.5	Confident	94	Very high	135 Å²	135	60.8 Å²	60.8	82%	0.818	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-19.7	179.4	-64.7	0	0	0	0	114.5	K511	K511-V513 HydrophobicContact CB-CG2 4.19Å; K511-V513 PolarHBondContact O-N 3.37Å
514	E	93.6	Very high	94	Very high	146 Å²	146	59.9 Å²	59.9	68%	0.682	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	-12.4	177.7	-72	175	-167.7	0	0	111.9	I510 K511 Q525	I510-E514 HydrophobicContact CG2-CB 4.15Å; K511-E514 CarbonylContact O-C 3.55Å; K511-E514 WeakPolarHBondContact O-CA 3.06Å; K511-E514 PolarHBondContact O-N 2.04Å; E514-Q525 PolarHBondContact O-OE1 3.2Å
515	D	94.5	Very high	94	Very high	16 Å²	16	60.4 Å²	60.4	9%	0.086	33%	0.329	C	S	.	.			trans	-88.6	125.7	-176.2	-174.4	5	0	0	0	111.8	I510 K511 C517 R518 N522 Q525	I510-D515 HydrophobicContact CB-CB 4.34Å; I510-D515 HydrophobicContact CG2-CB 3.8Å; K511-D515 WeakPolarHBondContact O-CB 3.23Å; K511-D515 PolarHBondContact O-N 3.29Å; D515-C517 VanDerWaalsContact C-N 3.34Å; D515-C517 PolarHBondContact OD1-N 2.92Å; D515-R518 VanDerWaalsContact OD2-CA 3.3Å; D515-R518 WeakPolarHBondContact OD2-CA 3.34Å; D515-R518 PolarHBondContact OD2-N 3.11Å; D515-N522 PolarHBondContact OD1-OD1 3.48Å; D515-Q525 PolarHBondContact OD1-NE2 3.49Å
516	N	93.2	Very high	94.1	Very high	29 Å²	29	65.3 Å²	65.3	16%	0.155	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-2.6	174.1	65.9	7.9	0	0	0	114.2	N522 Q525 F533 G534 C537	N516-N522 PolarHBondContact OD1-ND2 3.02Å; N516-Q525 VanDerWaalsContact CG-OE1 3.28Å; N516-Q525 PolarHBondContact ND2-O 2.93Å; N516-Q525 PolarHBondContact OD1-NE2 3.45Å; N516-Q525 PolarHBondContact OD1-OE1 3.15Å; N516-Q525 VanDerWaalsContact OD1-OE1 3.12Å; N516-F533 WeakPolarHBondContact O-CA 3.26Å; N516-G534 PolarHBondContact O-N 3.09Å; N516-C537 PolarHBondContact O-SG 2.94Å; N516-C537 VanDerWaalsContact O-SG 3.34Å
517	C	94	Very high	94	Very high	2 Å²	2	66.9 Å²	66.9	1%	0.014	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-138	61.2	172.8	-72.1	0	0	0	0	112.5	D515 L519 V520 N522 G534 C537	D515-C517 VanDerWaalsContact C-N 3.34Å; D515-C517 PolarHBondContact OD1-N 2.92Å; C517-L519 PolarHBondContact O-N 2.73Å; C517-V520 HydrophobicContact CB-CB 4.4Å; C517-V520 WeakPolarHBondContact CB-O 3.28Å; C517-V520 PolarHBondContact O-N 3.5Å; C517-N522 HydrophobicContact CB-CB 4.47Å; C517-N522 WeakPolarHBondContact CB-ND2 3.09Å; C517-N522 WeakPolarHBondContact CB-OD1 3.36Å; C517-N522 PolarHBondContact SG-ND2 2.94Å; C517-G534 WeakPolarHBondContact SG-CA 3.4Å; C517-G534 PolarHBondContact SG-N 2.91Å; C517-G534 VanDerWaalsContact SG-N 3.42Å; C517-G534 PolarHBondContact SG-O 2.99Å; C517-C537 WeakPolarHBondContact CA-SG 3.4Å; C517-C537 HydrophobicContact CB-CB 3.65Å; C517-C537 WeakPolarHBondContact CB-SG 3.28Å; C517-C537 WeakPolarHBondContact SG-CB 3.14Å; C517-C537 PolarHBondContact SG-N 2.71Å; C517-C537 CovalentContact SG-SG 2.04Å; C517-C537 PolarHBondContact SG-SG 3.3Å
518	R	93	Very high	94	Very high	121 Å²	121	68.5 Å²	68.5	46%	0.457	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-39.1	-31.4	-175.8	-165.4	-179.6	74.5	-157.9	4.1	117.9	N512 D515	N512-R518 HydrophobicContact CB-CG 3.91Å; D515-R518 VanDerWaalsContact OD2-CA 3.3Å; D515-R518 WeakPolarHBondContact OD2-CA 3.34Å; D515-R518 PolarHBondContact OD2-N 3.11Å
519	L	93.1	Very high	93.9	Very high	78 Å²	78	69.4 Å²	69.4	41%	0.408	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	1.1	-175	-56.3	179.3	0	0	0	113.3	D499 A505 C517	D499-L519 HydrophobicContact CB-CD2 4.19Å; A505-L519 HydrophobicContact CB-CD2 4.21Å; C517-L519 PolarHBondContact O-N 2.73Å
520	V	94.6	Very high	93.8	Very high	59 Å²	59	71.4 Å²	71.4	36%	0.358	38%	0.375	S	S	.	.	S	Bend	trans	-138	111.7	-172.3	-177	0	0	0	0	110.8	D506 C517 N522 C537	D506-V520 PolarHBondContact OD2-N 2.76Å; C517-V520 HydrophobicContact CB-CB 4.4Å; C517-V520 WeakPolarHBondContact CB-O 3.28Å; C517-V520 PolarHBondContact O-N 3.5Å; V520-N522 PolarHBondContact O-N 2.59Å; V520-N522 VanDerWaalsContact O-N 3.15Å; V520-C537 HydrophobicContact CB-CB 4.11Å; V520-C537 HydrophobicContact CG2-CB 4.05Å
521	P	95.4	Very high	93.7	Very high	83 Å²	83	70.7 Å²	70.7	54%	0.539	37%	0.371	S	S	.	.			trans	-57.2	116.4	-170.7	-28.5	35.9	0	0	0	114.5	D506 D508	D506-P521 HydrophobicContact CB-CG 3.92Å; D506-P521 WeakPolarHBondContact O-CG 3.44Å; D506-P521 WeakPolarHBondContact OD2-CA 3.27Å; D508-P521 HydrophobicContact CB-CB 3.83Å
522	N	94.9	Very high	93.5	Very high	4 Å²	4	69.7 Å²	69.7	2%	0.021	38%	0.377	C	S	.	.			trans	-146.2	69	-177.3	74.3	-32.4	0	0	0	113.5	D508 D515 N516 C517 V520 D524 Q525 S536	D508-N522 PolarHBondContact OD2-N 3.03Å; D515-N522 PolarHBondContact OD1-OD1 3.48Å; N516-N522 PolarHBondContact OD1-ND2 3.02Å; C517-N522 HydrophobicContact CB-CB 4.47Å; C517-N522 WeakPolarHBondContact CB-ND2 3.09Å; C517-N522 WeakPolarHBondContact CB-OD1 3.36Å; C517-N522 PolarHBondContact SG-ND2 2.94Å; V520-N522 PolarHBondContact O-N 2.59Å; V520-N522 VanDerWaalsContact O-N 3.15Å; N522-D524 PolarHBondContact O-N 3.09Å; N522-Q525 PolarHBondContact ND2-NE2 2.9Å; N522-Q525 PolarHBondContact O-N 3.46Å; N522-Q525 PolarHBondContact O-NE2 2.93Å; N522-Q525 PolarHBondContact OD1-NE2 3.19Å; N522-S536 VanDerWaalsContact CB-OG 3.25Å; N522-S536 WeakPolarHBondContact CB-OG 3.37Å
523	K	94.3	Very high	93.6	Very high	155 Å²	155	71.4 Å²	71.4	67%	0.674	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-17.1	-178.9	-54.5	-172.8	-168.9	-104.6	0	116.2	D508	D508-K523 HydrophobicContact CB-CG 4.06Å; D508-K523 WeakPolarHBondContact O-CE 3.38Å; D508-K523 PolarHBondContact O-NZ 3.26Å; D508-K523 WeakPolarHBondContact OD2-CA 3.46Å; D508-K523 PolarHBondContact OD2-N 3.26Å
524	D	93.5	Very high	93.8	Very high	109 Å²	109	65 Å²	65	58%	0.583	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-16.3	176.8	58.8	-7.2	0	0	0	113.8	N522 Q526	N522-D524 PolarHBondContact O-N 3.09Å; D524-Q526 PolarHBondContact O-N 2.79Å; D524-Q526 VanDerWaalsContact O-N 3.11Å
525	Q	95.1	Very high	93.8	Very high	48 Å²	48	59.8 Å²	59.8	22%	0.224	32%	0.322	C	S	.	.			trans	49.2	34.3	-179.9	-65.9	-75.5	-64.4	0	0	112	I510 E514 D515 N516 N522 N527	I510-Q525 HydrophobicContact CD1-CG 3.36Å; E514-Q525 PolarHBondContact O-OE1 3.2Å; D515-Q525 PolarHBondContact OD1-NE2 3.49Å; N516-Q525 VanDerWaalsContact CG-OE1 3.28Å; N516-Q525 PolarHBondContact ND2-O 2.93Å; N516-Q525 PolarHBondContact OD1-NE2 3.45Å; N516-Q525 PolarHBondContact OD1-OE1 3.15Å; N516-Q525 VanDerWaalsContact OD1-OE1 3.12Å; N522-Q525 PolarHBondContact ND2-NE2 2.9Å; N522-Q525 PolarHBondContact O-N 3.46Å; N522-Q525 PolarHBondContact O-NE2 2.93Å; N522-Q525 PolarHBondContact OD1-NE2 3.19Å; Q525-N527 PolarHBondContact O-N 2.86Å
526	Q	96.1	Very high	93.8	Very high	103 Å²	103	62 Å²	62	48%	0.481	34%	0.338	S	S	.	.			trans	-66.4	132.5	-179.3	-167.1	180	-43.8	0	0	109	D524 G534 D535	D524-Q526 PolarHBondContact O-N 2.79Å; D524-Q526 VanDerWaalsContact O-N 3.11Å; Q526-G534 CarbonylContact O-C 3.38Å; Q526-G534 WeakPolarHBondContact O-CA 3.09Å; Q526-D535 VanDerWaalsContact CD-OD2 3.3Å; Q526-D535 WeakPolarHBondContact CG-OD2 3.45Å; Q526-D535 PolarHBondContact NE2-OD2 3.13Å; Q526-D535 PolarHBondContact O-N 3.2Å
527	N	94	Very high	93.8	Very high	42 Å²	42	62.3 Å²	62.3	23%	0.225	34%	0.342	C	S	.	.			trans	-144.7	106.9	177	176.9	-21.2	0	0	0	107.8	Q525 D529 S530 D531 F533 D535	Q525-N527 PolarHBondContact O-N 2.86Å; N527-D529 PolarHBondContact OD1-N 3.11Å; N527-D529 PolarHBondContact OD1-OD1 2.93Å; N527-S530 WeakPolarHBondContact OD1-CA 3.44Å; N527-S530 PolarHBondContact OD1-N 2.9Å; N527-D531 PolarHBondContact ND2-O 2.82Å; N527-D531 PolarHBondContact OD1-N 2.9Å; N527-F533 PolarHBondContact ND2-O 3.29Å; N527-D535 VanDerWaalsContact CA-OD1 3.31Å; N527-D535 WeakPolarHBondContact CA-OD1 3.36Å
528	S	94.9	Very high	93.9	Very high	69 Å²	69	62.7 Å²	62.7	48%	0.483	34%	0.344	S	S	.	.	S	Bend	trans	-82.4	-26.9	-167.2	-76	0	0	0	0	113.7	D535 P541	S528-D535 VanDerWaalsContact CB-OD1 3.31Å; S528-D535 WeakPolarHBondContact CB-OD1 3.33Å; S528-D535 PolarHBondContact N-OD1 3.22Å; S528-D535 PolarHBondContact OG-OD1 2.96Å; S528-D535 PolarHBondContact OG-OD2 3.06Å; S528-P541 VanDerWaalsContact CB-O 3.25Å; S528-P541 WeakPolarHBondContact CB-O 3.45Å
529	D	93.3	Very high	94	Very high	27 Å²	27	58.1 Å²	58.1	14%	0.144	33%	0.329	C	S	.	.	S	Bend	trans	-112.2	-4.1	-178.1	68.9	7.4	0	0	0	114.1	N527 D531 V543 P544	N527-D529 PolarHBondContact OD1-N 3.11Å; N527-D529 PolarHBondContact OD1-OD1 2.93Å; D529-D531 PolarHBondContact OD1-N 2.94Å; D529-D531 VanDerWaalsContact OD1-N 3.15Å; D529-V543 PolarHBondContact OD2-N 2.93Å; D529-P544 HydrophobicContact CB-CG 3.85Å; D529-P544 VanDerWaalsContact OD2-CA 3.31Å; D529-P544 WeakPolarHBondContact OD2-CA 3.48Å
530	S	92.4	Very high	94.1	Very high	103 Å²	103	54.4 Å²	54.4	72%	0.72	31%	0.31	S	S	*	.			trans	66.3	30.7	175	-49.9	0	0	0	0	114.6	N527	N527-S530 WeakPolarHBondContact OD1-CA 3.44Å; N527-S530 PolarHBondContact OD1-N 2.9Å
531	D	92.3	Very high	94.1	Very high	20 Å²	20	54 Å²	54	11%	0.107	31%	0.308	C	S	.	.	S	Bend	trans	-82.8	-165.1	170.5	97.6	-17.5	0	0	0	111.7	N527 D529 F533 P544 N545 S546	N527-D531 PolarHBondContact ND2-O 2.82Å; N527-D531 PolarHBondContact OD1-N 2.9Å; D529-D531 PolarHBondContact OD1-N 2.94Å; D529-D531 VanDerWaalsContact OD1-N 3.15Å; D531-F533 VanDerWaalsContact C-N 3.34Å; D531-F533 PolarHBondContact OD1-N 3.45Å; D531-P544 HydrophobicContact CB-CB 3.81Å; D531-N545 PolarHBondContact OD2-N 2.93Å; D531-S546 PolarHBondContact OD2-N 2.85Å
532	S	89.9	Confident	94.1	Very high	83 Å²	83	55.4 Å²	55.4	58%	0.58	32%	0.315	S	S	*	.	S	Bend	trans	-76.2	-16.3	-178.8	-71.5	0	0	0	0	114.8
533	F	93	Very high	94.1	Very high	68 Å²	68	57.9 Å²	57.9	30%	0.298	33%	0.33	S	S	.	.	S	Bend	trans	-107.3	145.7	-174.4	-66	-89.8	0	0	0	111.1	N516 N527 D531 D538 S546 Q548	N516-F533 WeakPolarHBondContact O-CA 3.26Å; N527-F533 PolarHBondContact ND2-O 3.29Å; D531-F533 VanDerWaalsContact C-N 3.34Å; D531-F533 PolarHBondContact OD1-N 3.45Å; F533-D538 HydrophobicContact CB-CB 4.05Å; F533-S546 WeakPolarHBondContact CE2-O 3.33Å; F533-Q548 HydrophobicContact CD1-CG 3.87Å; F533-Q548 HydrophobicContact CD2-CG 3.42Å; F533-Q548 VanDerWaalsContact CD2-CG 3.42Å; F533-Q548 HydrophobicContact CE1-CG 3.84Å; F533-Q548 HydrophobicContact CE2-CG 3.41Å; F533-Q548 VanDerWaalsContact CE2-CG 3.41Å; F533-Q548 HydrophobicContact CG-CG 3.66Å; F533-Q548 HydrophobicContact CZ-CG 3.62Å
534	G	94.4	Very high	94.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	32%	0.324	C	S	.	.			trans	-85.3	158	174.9	0	0	0	0	0	112.5	N516 C517 Q526 S536 C537 D538	N516-G534 PolarHBondContact O-N 3.09Å; C517-G534 WeakPolarHBondContact SG-CA 3.4Å; C517-G534 PolarHBondContact SG-N 2.91Å; C517-G534 VanDerWaalsContact SG-N 3.42Å; C517-G534 PolarHBondContact SG-O 2.99Å; Q526-G534 CarbonylContact O-C 3.38Å; Q526-G534 WeakPolarHBondContact O-CA 3.09Å; G534-S536 PolarHBondContact O-N 3Å; G534-C537 PolarHBondContact O-N 2.89Å; G534-C537 PolarHBondContact O-SG 3.1Å; G534-D538 WeakPolarHBondContact O-CB 3.26Å; G534-D538 PolarHBondContact O-N 3.05Å
535	D	94.6	Very high	94.1	Very high	37 Å²	37	49.6 Å²	49.6	20%	0.198	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-23.2	-177.8	-70.7	5.8	0	0	0	113.8	Q526 N527 S528	Q526-D535 VanDerWaalsContact CD-OD2 3.3Å; Q526-D535 WeakPolarHBondContact CG-OD2 3.45Å; Q526-D535 PolarHBondContact NE2-OD2 3.13Å; Q526-D535 PolarHBondContact O-N 3.2Å; N527-D535 VanDerWaalsContact CA-OD1 3.31Å; N527-D535 WeakPolarHBondContact CA-OD1 3.36Å; S528-D535 VanDerWaalsContact CB-OD1 3.31Å; S528-D535 WeakPolarHBondContact CB-OD1 3.33Å; S528-D535 PolarHBondContact N-OD1 3.22Å; S528-D535 PolarHBondContact OG-OD1 2.96Å; S528-D535 PolarHBondContact OG-OD2 3.06Å
536	S	94.6	Very high	93.7	Very high	62 Å²	62	50.5 Å²	50.5	43%	0.434	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-26.1	-178.9	-66.1	0	0	0	0	114.3	N522 G534	N522-S536 VanDerWaalsContact CB-OG 3.25Å; N522-S536 WeakPolarHBondContact CB-OG 3.37Å; G534-S536 PolarHBondContact O-N 3Å
537	C	93.4	Very high	93.1	Very high	36 Å²	36	51.1 Å²	51.1	24%	0.243	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.9	-6	-177.4	62.1	0	0	0	0	112.9	N516 C517 V520 G534 Q548	N516-C537 PolarHBondContact O-SG 2.94Å; N516-C537 VanDerWaalsContact O-SG 3.34Å; C517-C537 WeakPolarHBondContact CA-SG 3.4Å; C517-C537 HydrophobicContact CB-CB 3.65Å; C517-C537 WeakPolarHBondContact CB-SG 3.28Å; C517-C537 WeakPolarHBondContact SG-CB 3.14Å; C517-C537 PolarHBondContact SG-N 2.71Å; C517-C537 CovalentContact SG-SG 2.04Å; C517-C537 PolarHBondContact SG-SG 3.3Å; V520-C537 HydrophobicContact CB-CB 4.11Å; V520-C537 HydrophobicContact CG2-CB 4.05Å; G534-C537 PolarHBondContact O-N 2.89Å; G534-C537 PolarHBondContact O-SG 3.1Å; C537-Q548 PolarHBondContact O-OE1 2.77Å
538	D	95.1	Very high	93	Very high	9 Å²	9	50.7 Å²	50.7	5%	0.048	31%	0.313	C	S	.	.			trans	-76.8	119.2	175.8	-176.5	0.8	0	0	0	110.5	F533 G534 C540 P541 N545 Q548	F533-D538 HydrophobicContact CB-CB 4.05Å; G534-D538 WeakPolarHBondContact O-CB 3.26Å; G534-D538 PolarHBondContact O-N 3.05Å; D538-C540 VanDerWaalsContact CG-C 3.45Å; D538-C540 PolarHBondContact O-N 2.86Å; D538-C540 VanDerWaalsContact OD1-C 3.25Å; D538-C540 WeakPolarHBondContact OD1-CA 3.32Å; D538-C540 PolarHBondContact OD1-N 2.87Å; D538-C540 VanDerWaalsContact OD2-C 3.32Å; D538-P541 WeakPolarHBondContact O-CD 3.11Å; D538-P541 WeakPolarHBondContact O-CG 3.08Å; D538-P541 WeakPolarHBondContact OD2-CA 3.21Å; D538-N545 PolarHBondContact OD1-OD1 3.25Å; D538-Q548 PolarHBondContact OD1-NE2 3.22Å
539	N	94.8	Very high	92.7	Very high	26 Å²	26	52.1 Å²	52.1	14%	0.139	31%	0.31	C	S	.	.	S	Bend	trans	-74.3	-7.1	175.5	66.4	4.3	0	0	0	113.3	N545 Q548 G557 C560	N539-N545 PolarHBondContact OD1-ND2 2.98Å; N539-Q548 PolarHBondContact ND2-O 2.94Å; N539-Q548 PolarHBondContact OD1-OE1 2.82Å; N539-Q548 VanDerWaalsContact OD1-OE1 3.1Å; N539-G557 WeakPolarHBondContact ND2-CA 3.31Å; N539-G557 PolarHBondContact O-N 3.11Å; N539-C560 PolarHBondContact O-SG 3.42Å
540	C	95.6	Very high	92.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	31%	0.311	C	S	.	.	S	Bend	trans	-136.5	69.8	169.2	-72.9	0	0	0	0	113.3	D538 T542 V543 N545 G557 C560	D538-C540 VanDerWaalsContact CG-C 3.45Å; D538-C540 PolarHBondContact O-N 2.86Å; D538-C540 VanDerWaalsContact OD1-C 3.25Å; D538-C540 WeakPolarHBondContact OD1-CA 3.32Å; D538-C540 PolarHBondContact OD1-N 2.87Å; D538-C540 VanDerWaalsContact OD2-C 3.32Å; C540-T542 PolarHBondContact O-N 3.15Å; C540-V543 HydrophobicContact CB-CB 4.43Å; C540-V543 PolarHBondContact O-N 2.67Å; C540-N545 WeakPolarHBondContact CB-OD1 3.39Å; C540-G557 VanDerWaalsContact SG-C 3.52Å; C540-G557 WeakPolarHBondContact SG-CA 3.45Å; C540-G557 PolarHBondContact SG-N 3.41Å; C540-G557 PolarHBondContact SG-O 3.12Å; C540-C560 WeakPolarHBondContact CA-SG 3.2Å; C540-C560 HydrophobicContact CB-CB 3.76Å; C540-C560 WeakPolarHBondContact CB-SG 3.49Å; C540-C560 WeakPolarHBondContact SG-CB 3.42Å; C540-C560 PolarHBondContact SG-N 3.13Å; C540-C560 CovalentContact SG-SG 2.04Å; C540-C560 PolarHBondContact SG-SG 2.87Å
541	P	95.3	Very high	92.5	Very high	51 Å²	51	49.3 Å²	49.3	33%	0.331	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-2.8	-168.8	-27.3	34.6	0	0	0	118.9	S528 D538	S528-P541 VanDerWaalsContact CB-O 3.25Å; S528-P541 WeakPolarHBondContact CB-O 3.45Å; D538-P541 WeakPolarHBondContact O-CD 3.11Å; D538-P541 WeakPolarHBondContact O-CG 3.08Å; D538-P541 WeakPolarHBondContact OD2-CA 3.21Å
542	T	94.9	Very high	92.4	Very high	112 Å²	112	50.6 Å²	50.6	69%	0.687	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.2	0.6	-177.3	60.3	0	0	0	0	113.1	C540	C540-T542 PolarHBondContact O-N 3.15Å
543	V	95.1	Very high	92.4	Very high	55 Å²	55	53.1 Å²	53.1	33%	0.333	30%	0.303	S	S	.	.	S	Bend	trans	-135.5	110.2	-174.4	-178.6	0	0	0	0	107.9	D529 C540 N545 A559 C560	D529-V543 PolarHBondContact OD2-N 2.93Å; C540-V543 HydrophobicContact CB-CB 4.43Å; C540-V543 PolarHBondContact O-N 2.67Å; V543-N545 PolarHBondContact O-N 2.64Å; V543-N545 PolarHBondContact O-OD1 3.36Å; V543-A559 HydrophobicContact CG1-CB 4.06Å; V543-C560 HydrophobicContact CG2-CB 4.35Å
544	P	94.6	Very high	92.3	Very high	83 Å²	83	53.8 Å²	53.8	54%	0.539	31%	0.309	S	S	.	.			trans	-57.6	124.9	-173.5	-28.5	35.9	0	0	0	112.8	D529 D531	D529-P544 HydrophobicContact CB-CG 3.85Å; D529-P544 VanDerWaalsContact OD2-CA 3.31Å; D529-P544 WeakPolarHBondContact OD2-CA 3.48Å; D531-P544 HydrophobicContact CB-CB 3.81Å
545	N	92.2	Very high	92.2	Very high	8 Å²	8	56.3 Å²	56.3	4%	0.043	34%	0.336	C	S	.	.			trans	-151.8	78.3	179.4	67.2	-43.2	0	0	0	111.2	D531 D538 N539 C540 V543 D547 Q548 A559	D531-N545 PolarHBondContact OD2-N 2.93Å; D538-N545 PolarHBondContact OD1-OD1 3.25Å; N539-N545 PolarHBondContact OD1-ND2 2.98Å; C540-N545 WeakPolarHBondContact CB-OD1 3.39Å; V543-N545 PolarHBondContact O-N 2.64Å; V543-N545 PolarHBondContact O-OD1 3.36Å; N545-D547 PolarHBondContact O-N 2.76Å; N545-Q548 PolarHBondContact ND2-NE2 3.11Å; N545-Q548 PolarHBondContact O-N 2.92Å; N545-Q548 PolarHBondContact O-NE2 3.31Å; N545-Q548 PolarHBondContact OD1-NE2 2.97Å; N545-A559 HydrophobicContact CB-CB 3.61Å
546	S	87.3	Confident	92.2	Very high	67 Å²	67	58.4 Å²	58.4	47%	0.469	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-2	-175.8	-46.8	0	0	0	0	115	D531 F533	D531-S546 PolarHBondContact OD2-N 2.85Å; F533-S546 WeakPolarHBondContact CE2-O 3.33Å
547	D	84.6	Confident	92.2	Very high	115 Å²	115	55.5 Å²	55.5	62%	0.615	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-14.5	170	60.1	-15.5	0	0	0	112.8	N545 K549	N545-D547 PolarHBondContact O-N 2.76Å; D547-K549 PolarHBondContact O-N 3.1Å
548	Q	90.2	Very high	92.2	Very high	34 Å²	34	55.3 Å²	55.3	16%	0.159	32%	0.321	C	S	.	.			trans	47.8	30.9	-179.4	-67.8	-71.6	-62.1	0	0	113.1	F533 C537 D538 N539 N545 D550	F533-Q548 HydrophobicContact CD1-CG 3.87Å; F533-Q548 HydrophobicContact CD2-CG 3.42Å; F533-Q548 VanDerWaalsContact CD2-CG 3.42Å; F533-Q548 HydrophobicContact CE1-CG 3.84Å; F533-Q548 HydrophobicContact CE2-CG 3.41Å; F533-Q548 VanDerWaalsContact CE2-CG 3.41Å; F533-Q548 HydrophobicContact CG-CG 3.66Å; F533-Q548 HydrophobicContact CZ-CG 3.62Å; C537-Q548 PolarHBondContact O-OE1 2.77Å; D538-Q548 PolarHBondContact OD1-NE2 3.22Å; N539-Q548 PolarHBondContact ND2-O 2.94Å; N539-Q548 PolarHBondContact OD1-OE1 2.82Å; N539-Q548 VanDerWaalsContact OD1-OE1 3.1Å; N545-Q548 PolarHBondContact ND2-NE2 3.11Å; N545-Q548 PolarHBondContact O-N 2.92Å; N545-Q548 PolarHBondContact O-NE2 3.31Å; N545-Q548 PolarHBondContact OD1-NE2 2.97Å; Q548-D550 PolarHBondContact O-N 2.84Å
549	K	89.5	Confident	92.2	Very high	98 Å²	98	57.3 Å²	57.3	43%	0.426	34%	0.338	S	S	.	.			trans	-68.3	133.2	-175.3	-170	174.2	174.1	168.2	0	110.6	D547 G557 D558	D547-K549 PolarHBondContact O-N 3.1Å; K549-G557 CarbonylContact O-C 3.58Å; K549-G557 WeakPolarHBondContact O-CA 3.28Å; K549-D558 WeakPolarHBondContact CD-OD2 3.46Å; K549-D558 WeakPolarHBondContact CG-OD2 3.47Å; K549-D558 PolarHBondContact O-N 2.79Å
550	D	91.3	Very high	92.2	Very high	29 Å²	29	57.9 Å²	57.9	16%	0.155	34%	0.344	C	S	.	.			trans	-138.5	99.3	179.1	177.7	-5.5	0	0	0	107.5	Q548 D552 N553 N554 G555	Q548-D550 PolarHBondContact O-N 2.84Å; D550-D552 VanDerWaalsContact OD1-OD1 3.14Å; D550-N553 VanDerWaalsContact CG-CA 3.47Å; D550-N553 WeakPolarHBondContact OD1-CA 3.25Å; D550-N553 PolarHBondContact OD1-N 3.12Å; D550-N553 WeakPolarHBondContact OD2-CA 3.3Å; D550-N554 PolarHBondContact OD1-N 3.44Å; D550-N554 PolarHBondContact OD2-N 2.87Å; D550-G555 VanDerWaalsContact OD2-CA 3.29Å; D550-G555 WeakPolarHBondContact OD2-CA 3.32Å; D550-G555 PolarHBondContact OD2-N 3.14Å
551	T	89.9	Confident	92.2	Very high	42 Å²	42	59 Å²	59	26%	0.258	35%	0.349	S	S	.	.	S	Bend	trans	-71.8	-36.8	-169.6	-64.5	0	0	0	0	112.7	D558 I564	T551-D558 WeakPolarHBondContact CB-OD1 3.33Å; T551-D558 PolarHBondContact N-OD1 3.06Å; T551-D558 PolarHBondContact OG1-OD1 3.36Å; T551-D558 PolarHBondContact OG1-OD2 2.96Å; T551-I564 VanDerWaalsContact CB-O 3.3Å; T551-I564 WeakPolarHBondContact CB-O 3.42Å
552	D	90.1	Very high	92.2	Very high	48 Å²	48	64 Å²	64	26%	0.257	37%	0.368	S	S	.	.	S	Bend	trans	-97	-2.9	179.4	78	-13.6	0	0	0	113.8	D550 N554 I564	D550-D552 VanDerWaalsContact OD1-OD1 3.14Å; D552-N554 VanDerWaalsContact CG-ND2 3.27Å; D552-N554 PolarHBondContact O-N 3.1Å; D552-N554 VanDerWaalsContact OD1-CB 3.23Å; D552-N554 WeakPolarHBondContact OD1-CB 3.22Å; D552-N554 PolarHBondContact OD1-N 3.09Å; D552-N554 PolarHBondContact OD1-ND2 2.76Å; D552-N554 WeakPolarHBondContact OD2-CB 3.49Å; D552-N554 PolarHBondContact OD2-ND2 3.41Å; D552-I564 PolarHBondContact N-O 2.96Å
553	N	90.1	Very high	92.3	Very high	136 Å²	136	60.2 Å²	60.2	73%	0.727	34%	0.344	S	S	*	.			trans	57.5	33	-179.1	-60.8	-87.1	0	0	0	113	D550 G555	D550-N553 VanDerWaalsContact CG-CA 3.47Å; D550-N553 WeakPolarHBondContact OD1-CA 3.25Å; D550-N553 PolarHBondContact OD1-N 3.12Å; D550-N553 WeakPolarHBondContact OD2-CA 3.3Å; N553-G555 VanDerWaalsContact C-N 3.26Å
554	N	91.8	Very high	92.2	Very high	81 Å²	81	58.3 Å²	58.3	43%	0.433	33%	0.332	S	S	.	.	S	Bend	trans	-81.2	-7	178.5	76.9	28.6	0	0	0	113	D550 D552 Q556 D561	D550-N554 PolarHBondContact OD1-N 3.44Å; D550-N554 PolarHBondContact OD2-N 2.87Å; D552-N554 VanDerWaalsContact CG-ND2 3.27Å; D552-N554 PolarHBondContact O-N 3.1Å; D552-N554 VanDerWaalsContact OD1-CB 3.23Å; D552-N554 WeakPolarHBondContact OD1-CB 3.22Å; D552-N554 PolarHBondContact OD1-N 3.09Å; D552-N554 PolarHBondContact OD1-ND2 2.76Å; D552-N554 WeakPolarHBondContact OD2-CB 3.49Å; D552-N554 PolarHBondContact OD2-ND2 3.41Å; N554-Q556 WeakPolarHBondContact OD1-CA 3.45Å; N554-Q556 WeakPolarHBondContact OD1-CB 3.39Å; N554-Q556 PolarHBondContact OD1-N 2.89Å; N554-D561 PolarHBondContact ND2-OD2 2.85Å
555	G	91.4	Very high	92.2	Very high	54 Å²	54	54.7 Å²	54.7	56%	0.557	31%	0.308	S	S	*	.	S	Bend	trans	92.5	2.6	-178.2	0	0	0	0	0	114.5	D550 N553	D550-G555 VanDerWaalsContact OD2-CA 3.29Å; D550-G555 WeakPolarHBondContact OD2-CA 3.32Å; D550-G555 PolarHBondContact OD2-N 3.14Å; N553-G555 VanDerWaalsContact C-N 3.26Å
556	Q	94.9	Very high	92.4	Very high	81 Å²	81	56.4 Å²	56.4	38%	0.379	33%	0.328	S	S	.	.	S	Bend	trans	-111.5	126	172.8	-173.3	172.2	-15.4	0	0	108.7	N554 C560 D561	N554-Q556 WeakPolarHBondContact OD1-CA 3.45Å; N554-Q556 WeakPolarHBondContact OD1-CB 3.39Å; N554-Q556 PolarHBondContact OD1-N 2.89Å; Q556-C560 PolarHBondContact NE2-O 3.09Å; Q556-D561 HydrophobicContact CG-CB 4.19Å
557	G	94.1	Very high	92.8	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	31%	0.311	C	S	.	.			trans	-71.7	155.3	-175.5	0	0	0	0	0	113.8	N539 C540 K549 A559 C560 D561	N539-G557 WeakPolarHBondContact ND2-CA 3.31Å; N539-G557 PolarHBondContact O-N 3.11Å; C540-G557 VanDerWaalsContact SG-C 3.52Å; C540-G557 WeakPolarHBondContact SG-CA 3.45Å; C540-G557 PolarHBondContact SG-N 3.41Å; C540-G557 PolarHBondContact SG-O 3.12Å; K549-G557 CarbonylContact O-C 3.58Å; K549-G557 WeakPolarHBondContact O-CA 3.28Å; G557-A559 PolarHBondContact O-N 2.64Å; G557-C560 PolarHBondContact O-N 3.2Å; G557-D561 PolarHBondContact O-N 3.14Å
558	D	94.4	Very high	93.3	Very high	33 Å²	33	51.5 Å²	51.5	18%	0.176	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-33.4	-179.9	-75.8	4	0	0	0	112.4	K549 T551 C560 I564	K549-D558 WeakPolarHBondContact CD-OD2 3.46Å; K549-D558 WeakPolarHBondContact CG-OD2 3.47Å; K549-D558 PolarHBondContact O-N 2.79Å; T551-D558 WeakPolarHBondContact CB-OD1 3.33Å; T551-D558 PolarHBondContact N-OD1 3.06Å; T551-D558 PolarHBondContact OG1-OD1 3.36Å; T551-D558 PolarHBondContact OG1-OD2 2.96Å; D558-C560 VanDerWaalsContact C-N 3.29Å; D558-C560 PolarHBondContact O-N 3.16Å; D558-I564 HydrophobicContact CB-CG2 4.28Å
559	A	94.6	Very high	93.6	Very high	51 Å²	51	51.4 Å²	51.4	42%	0.421	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-25.9	-175.9	0	0	0	0	0	113.8	V543 N545 G557	V543-A559 HydrophobicContact CG1-CB 4.06Å; N545-A559 HydrophobicContact CB-CB 3.61Å; G557-A559 PolarHBondContact O-N 2.64Å
560	C	94.6	Very high	93.9	Very high	37 Å²	37	49.4 Å²	49.4	25%	0.25	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.8	-6.7	-177.4	63.4	0	0	0	0	113.5	N539 C540 V543 Q556 G557 D558	N539-C560 PolarHBondContact O-SG 3.42Å; C540-C560 WeakPolarHBondContact CA-SG 3.2Å; C540-C560 HydrophobicContact CB-CB 3.76Å; C540-C560 WeakPolarHBondContact CB-SG 3.49Å; C540-C560 WeakPolarHBondContact SG-CB 3.42Å; C540-C560 PolarHBondContact SG-N 3.13Å; C540-C560 CovalentContact SG-SG 2.04Å; C540-C560 PolarHBondContact SG-SG 2.87Å; V543-C560 HydrophobicContact CG2-CB 4.35Å; Q556-C560 PolarHBondContact NE2-O 3.09Å; G557-C560 PolarHBondContact O-N 3.2Å; D558-C560 VanDerWaalsContact C-N 3.29Å; D558-C560 PolarHBondContact O-N 3.16Å
561	D	95.8	Very high	94	Very high	23 Å²	23	50 Å²	50	12%	0.123	31%	0.31	C	S	.	.			trans	-75.9	144.1	171.4	-152.3	-29.6	0	0	0	112	N554 Q556 G557 D563 I564 N571	N554-D561 PolarHBondContact ND2-OD2 2.85Å; Q556-D561 HydrophobicContact CG-CB 4.19Å; G557-D561 PolarHBondContact O-N 3.14Å; D561-D563 PolarHBondContact OD1-N 2.82Å; D561-I564 HydrophobicContact CB-CG2 3.89Å; D561-N571 PolarHBondContact O-ND2 2.73Å; D561-N571 VanDerWaalsContact O-ND2 3.11Å
562	Q	95	Very high	94.3	Very high	156 Å²	156	54.4 Å²	54.4	73%	0.729	34%	0.337	S	S	*	.	S	Bend	trans	-96.8	-9.2	176.2	-63.7	-177.1	5.3	0	0	113	P570 N571	Q562-P570 CarbonylContact O-C 3.56Å; Q562-P570 VanDerWaalsContact O-CA 3.25Å; Q562-P570 WeakPolarHBondContact O-CA 3.49Å; Q562-N571 VanDerWaalsContact C-CG 3.45Å; Q562-N571 PolarHBondContact O-N 2.93Å; Q562-N571 PolarHBondContact O-ND2 2.96Å; Q562-N571 PolarHBondContact O-OD1 2.95Å
563	D	96	Very high	94.6	Very high	34 Å²	34	58.4 Å²	58.4	18%	0.182	36%	0.357	C	S	.	.	S	Bend	trans	-147.8	75.8	-177.4	-179.3	3.7	0	0	0	107.5	D561 D565 G566 D567 G568 N571	D561-D563 PolarHBondContact OD1-N 2.82Å; D563-D565 VanDerWaalsContact C-N 3.25Å; D563-D565 PolarHBondContact O-N 2.92Å; D563-G566 PolarHBondContact O-N 3.45Å; D563-G566 PolarHBondContact OD1-N 2.86Å; D563-D567 PolarHBondContact OD1-N 2.85Å; D563-G568 WeakPolarHBondContact OD2-CA 3.21Å; D563-G568 PolarHBondContact OD2-N 2.88Å; D563-G568 VanDerWaalsContact OD2-N 3.1Å; D563-N571 VanDerWaalsContact CA-OD1 3.25Å; D563-N571 WeakPolarHBondContact CA-OD1 3.48Å; D563-N571 PolarHBondContact N-OD1 3.22Å
564	I	94.9	Very high	94.9	Very high	15 Å²	15	52.6 Å²	52.6	8%	0.077	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-19.1	-163	63.7	180	0	0	0	113	T551 D552 D558 D561 N571 P577 K578	T551-I564 VanDerWaalsContact CB-O 3.3Å; T551-I564 WeakPolarHBondContact CB-O 3.42Å; D552-I564 PolarHBondContact N-O 2.96Å; D558-I564 HydrophobicContact CB-CG2 4.28Å; D561-I564 HydrophobicContact CB-CG2 3.89Å; I564-N571 WeakPolarHBondContact CG2-ND2 3.43Å; I564-N571 PolarHBondContact N-OD1 2.97Å; I564-P577 HydrophobicContact CD1-CB 4.21Å; I564-P577 WeakPolarHBondContact CD1-O 3.48Å; I564-P577 WeakPolarHBondContact CG1-O 3.37Å; I564-K578 HydrophobicContact CD1-CG 3.7Å
565	D	93.9	Very high	95.1	Very high	6 Å²	6	50 Å²	50	3%	0.032	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-2.1	177.2	72.9	-4.2	0	0	0	113.2	D563 D567 V579 P580	D563-D565 VanDerWaalsContact C-N 3.25Å; D563-D565 PolarHBondContact O-N 2.92Å; D565-D567 VanDerWaalsContact C-N 3.26Å; D565-D567 PolarHBondContact O-N 3.12Å; D565-D567 PolarHBondContact OD1-N 3.13Å; D565-V579 PolarHBondContact OD2-N 3.36Å; D565-V579 VanDerWaalsContact OD2-N 3.16Å; D565-V579 VanDerWaalsContact OD2-O 3.09Å; D565-P580 HydrophobicContact CB-CG 4.06Å; D565-P580 WeakPolarHBondContact O-CG 3.43Å; D565-P580 VanDerWaalsContact OD2-CA 3.26Å; D565-P580 WeakPolarHBondContact OD2-CA 3.45Å; D565-P580 VanDerWaalsContact OD2-N 3.13Å
566	G	95.2	Very high	95.3	Very high	44 Å²	44	47.4 Å²	47.4	45%	0.454	29%	0.286	S	S	.	.			trans	68.4	20.8	171.8	0	0	0	0	0	114.2	D563 G568	D563-G566 PolarHBondContact O-N 3.45Å; D563-G566 PolarHBondContact OD1-N 2.86Å; G566-G568 PolarHBondContact O-N 2.85Å
567	D	95.6	Very high	95.3	Very high	22 Å²	22	45.8 Å²	45.8	12%	0.118	28%	0.282	C	S	.	.	S	Bend	trans	-80.2	-8.9	-176.4	99.9	-20.3	0	0	0	113.1	D563 D565 I569 P580 N581 P582	D563-D567 PolarHBondContact OD1-N 2.85Å; D565-D567 VanDerWaalsContact C-N 3.26Å; D565-D567 PolarHBondContact O-N 3.12Å; D565-D567 PolarHBondContact OD1-N 3.13Å; D567-I569 WeakPolarHBondContact OD1-CA 3.34Å; D567-I569 WeakPolarHBondContact OD1-CB 3.45Å; D567-I569 VanDerWaalsContact OD1-CG1 3.27Å; D567-I569 WeakPolarHBondContact OD1-CG1 3.42Å; D567-I569 PolarHBondContact OD1-N 3.24Å; D567-P580 HydrophobicContact CB-CB 3.9Å; D567-N581 PolarHBondContact OD2-N 3.08Å; D567-N581 PolarHBondContact OD2-OD1 2.62Å; D567-P582 HydrophobicContact CB-CG 4.03Å; D567-P582 WeakPolarHBondContact OD2-CA 3.43Å
568	G	95.3	Very high	95.2	Very high	57 Å²	57	52 Å²	52	59%	0.588	31%	0.309	S	S	*	.	S	Bend	trans	95.9	6.4	179.3	0	0	0	0	0	114.1	D563 G566	D563-G568 WeakPolarHBondContact OD2-CA 3.21Å; D563-G568 PolarHBondContact OD2-N 2.88Å; D563-G568 VanDerWaalsContact OD2-N 3.1Å; G566-G568 PolarHBondContact O-N 2.85Å
569	I	96.6	Very high	95.1	Very high	32 Å²	32	53.1 Å²	53.1	16%	0.164	32%	0.317	C	S	.	.	S	Bend	trans	-115.1	119.8	-178.6	-54.8	-176.3	0	0	0	108.8	D567 N571 L573 D574 Q584	D567-I569 WeakPolarHBondContact OD1-CA 3.34Å; D567-I569 WeakPolarHBondContact OD1-CB 3.45Å; D567-I569 VanDerWaalsContact OD1-CG1 3.27Å; D567-I569 WeakPolarHBondContact OD1-CG1 3.42Å; D567-I569 PolarHBondContact OD1-N 3.24Å; I569-N571 PolarHBondContact O-N 2.76Å; I569-L573 HydrophobicContact CG2-CB 4.12Å; I569-D574 HydrophobicContact CB-CB 4.43Å; I569-D574 HydrophobicContact CG2-CB 3.94Å; I569-Q584 HydrophobicContact CD1-CG 3.15Å
570	P	96.5	Very high	95.2	Very high	57 Å²	57	54.7 Å²	54.7	37%	0.37	32%	0.323	S	S	.	.			trans	-61	141.4	-178.4	-23	32.3	0	0	0	112.2	Q562 V572 L573 D574	Q562-P570 CarbonylContact O-C 3.56Å; Q562-P570 VanDerWaalsContact O-CA 3.25Å; Q562-P570 WeakPolarHBondContact O-CA 3.49Å; P570-V572 PolarHBondContact O-N 2.78Å; P570-L573 WeakPolarHBondContact O-CA 3.5Å; P570-L573 PolarHBondContact O-N 2.88Å; P570-D574 PolarHBondContact O-N 2.81Å; P570-D574 VanDerWaalsContact O-N 3.13Å
571	N	94.1	Very high	95.2	Very high	42 Å²	42	53.6 Å²	53.6	23%	0.225	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-43.4	-33.5	-176.8	-60.7	-17.3	0	0	0	115.1	D561 Q562 D563 I564 I569	D561-N571 PolarHBondContact O-ND2 2.73Å; D561-N571 VanDerWaalsContact O-ND2 3.11Å; Q562-N571 VanDerWaalsContact C-CG 3.45Å; Q562-N571 PolarHBondContact O-N 2.93Å; Q562-N571 PolarHBondContact O-ND2 2.96Å; Q562-N571 PolarHBondContact O-OD1 2.95Å; D563-N571 VanDerWaalsContact CA-OD1 3.25Å; D563-N571 WeakPolarHBondContact CA-OD1 3.48Å; D563-N571 PolarHBondContact N-OD1 3.22Å; I564-N571 WeakPolarHBondContact CG2-ND2 3.43Å; I564-N571 PolarHBondContact N-OD1 2.97Å; I569-N571 PolarHBondContact O-N 2.76Å
572	V	95.1	Very high	95.2	Very high	134 Å²	134	56.5 Å²	56.5	81%	0.812	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-16	-177.5	-60.4	0	0	0	0	114.2	P570	P570-V572 PolarHBondContact O-N 2.78Å
573	L	95.9	Very high	95.3	Very high	131 Å²	131	56.7 Å²	56.7	69%	0.686	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	-11.5	176.9	-64.2	-178.7	0	0	0	112.3	I569 P570 Q584	I569-L573 HydrophobicContact CG2-CB 4.12Å; P570-L573 WeakPolarHBondContact O-CA 3.5Å; P570-L573 PolarHBondContact O-N 2.88Å; L573-Q584 PolarHBondContact O-OE1 3.05Å
574	D	96.9	Very high	95.3	Very high	14 Å²	14	57.3 Å²	57.3	8%	0.075	34%	0.34	C	S	.	.			trans	-82.8	129.5	-178	-168.3	-10	0	0	0	111.4	I569 P570 C576 P577 N581 Q584	I569-D574 HydrophobicContact CB-CB 4.43Å; I569-D574 HydrophobicContact CG2-CB 3.94Å; P570-D574 PolarHBondContact O-N 2.81Å; P570-D574 VanDerWaalsContact O-N 3.13Å; D574-C576 VanDerWaalsContact OD1-C 3.3Å; D574-C576 WeakPolarHBondContact OD1-CA 3.33Å; D574-C576 PolarHBondContact OD1-N 3.42Å; D574-P577 HydrophobicContact CB-CG 4.37Å; D574-P577 VanDerWaalsContact OD2-CA 3.28Å; D574-P577 WeakPolarHBondContact OD2-CA 3.16Å; D574-N581 PolarHBondContact OD1-OD1 2.88Å; D574-Q584 PolarHBondContact OD1-NE2 3.35Å
575	N	95.8	Very high	95.4	Very high	26 Å²	26	60.1 Å²	60.1	14%	0.139	36%	0.357	C	S	.	.	S	Bend	trans	-85.2	-7.8	173.5	70.8	-4.2	0	0	0	113.9	N581 Q584 G593	N575-N581 PolarHBondContact OD1-ND2 2.79Å; N575-Q584 VanDerWaalsContact OD1-CD 3.26Å; N575-Q584 PolarHBondContact OD1-NE2 3.41Å; N575-Q584 PolarHBondContact OD1-OE1 2.64Å; N575-Q584 VanDerWaalsContact OD1-OE1 3.11Å; N575-G593 VanDerWaalsContact CG-CA 3.41Å; N575-G593 WeakPolarHBondContact ND2-CA 3.18Å; N575-G593 PolarHBondContact O-N 3.44Å
576	C	95.9	Very high	95.5	Very high	0 Å²	0	62 Å²	62	0%	0	37%	0.367	C	S	.	.	S	Bend	trans	-136.9	68.2	169	-73.6	0	0	0	0	112.4	D574 K578 V579 G593 C596	D574-C576 VanDerWaalsContact OD1-C 3.3Å; D574-C576 WeakPolarHBondContact OD1-CA 3.33Å; D574-C576 PolarHBondContact OD1-N 3.42Å; C576-K578 PolarHBondContact O-N 2.74Å; C576-V579 HydrophobicContact CB-CB 4.37Å; C576-V579 PolarHBondContact O-N 3.31Å; C576-G593 VanDerWaalsContact SG-C 3.5Å; C576-G593 WeakPolarHBondContact SG-CA 3.31Å; C576-G593 PolarHBondContact SG-N 3.15Å; C576-G593 VanDerWaalsContact SG-N 3.45Å; C576-G593 PolarHBondContact SG-O 2.82Å; C576-C596 WeakPolarHBondContact CA-SG 3.49Å; C576-C596 HydrophobicContact CB-CB 3.71Å; C576-C596 WeakPolarHBondContact CB-SG 3.3Å; C576-C596 WeakPolarHBondContact SG-CB 3.41Å; C576-C596 PolarHBondContact SG-N 3.44Å; C576-C596 CovalentContact SG-SG 2.04Å; C576-C596 PolarHBondContact SG-SG 3.13Å
577	P	95.1	Very high	95.5	Very high	48 Å²	48	66.5 Å²	66.5	31%	0.312	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-22.4	-171.5	-28.3	35.3	0	0	0	116.5	I564 D574	I564-P577 HydrophobicContact CD1-CB 4.21Å; I564-P577 WeakPolarHBondContact CD1-O 3.48Å; I564-P577 WeakPolarHBondContact CG1-O 3.37Å; D574-P577 HydrophobicContact CB-CG 4.37Å; D574-P577 VanDerWaalsContact OD2-CA 3.28Å; D574-P577 WeakPolarHBondContact OD2-CA 3.16Å
578	K	91.9	Very high	95.5	Very high	130 Å²	130	67.1 Å²	67.1	57%	0.565	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	-1.7	-174.7	-64.9	177.8	177.5	175.7	0	113.8	I564 C576	I564-K578 HydrophobicContact CD1-CG 3.7Å; C576-K578 PolarHBondContact O-N 2.74Å
579	V	93	Very high	95.5	Very high	56 Å²	56	74.5 Å²	74.5	34%	0.339	38%	0.384	S	S	.	.	S	Bend	trans	-136.2	112.2	-171.1	-179.1	0	0	0	0	108.7	D565 C576 N581 A595 C596	D565-V579 PolarHBondContact OD2-N 3.36Å; D565-V579 VanDerWaalsContact OD2-N 3.16Å; D565-V579 VanDerWaalsContact OD2-O 3.09Å; C576-V579 HydrophobicContact CB-CB 4.37Å; C576-V579 PolarHBondContact O-N 3.31Å; V579-N581 PolarHBondContact O-N 3.34Å; V579-N581 PolarHBondContact O-OD1 3.34Å; V579-A595 HydrophobicContact CG1-CB 3.99Å; V579-C596 HydrophobicContact CB-CB 4.08Å; V579-C596 HydrophobicContact CG2-CB 3.86Å
580	P	95.4	Very high	95.4	Very high	84 Å²	84	73.9 Å²	73.9	55%	0.545	38%	0.381	S	S	.	.			trans	-57.8	113.6	-170.4	-23.3	30	0	0	0	112.1	D565 D567	D565-P580 HydrophobicContact CB-CG 4.06Å; D565-P580 WeakPolarHBondContact O-CG 3.43Å; D565-P580 VanDerWaalsContact OD2-CA 3.26Å; D565-P580 WeakPolarHBondContact OD2-CA 3.45Å; D565-P580 VanDerWaalsContact OD2-N 3.13Å; D567-P580 HydrophobicContact CB-CB 3.9Å
581	N	95.7	Very high	95.3	Very high	14 Å²	14	73.4 Å²	73.4	8%	0.075	39%	0.387	C	S	.	.			trans	-140.9	70.9	180	72.9	-30.6	0	0	0	111.8	D567 D574 N575 V579 M583 Q584 A595	D567-N581 PolarHBondContact OD2-N 3.08Å; D567-N581 PolarHBondContact OD2-OD1 2.62Å; D574-N581 PolarHBondContact OD1-OD1 2.88Å; N575-N581 PolarHBondContact OD1-ND2 2.79Å; V579-N581 PolarHBondContact O-N 3.34Å; V579-N581 PolarHBondContact O-OD1 3.34Å; N581-M583 PolarHBondContact O-N 3.37Å; N581-Q584 PolarHBondContact ND2-NE2 2.92Å; N581-Q584 PolarHBondContact O-N 2.86Å; N581-Q584 PolarHBondContact O-NE2 3.02Å; N581-Q584 PolarHBondContact OD1-NE2 2.85Å; N581-A595 HydrophobicContact CB-CB 3.6Å
582	P	95.8	Very high	95.4	Very high	85 Å²	85	72.5 Å²	72.5	55%	0.552	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-16.8	-172.7	-26.5	33.5	0	0	0	115.3	D567	D567-P582 HydrophobicContact CB-CG 4.03Å; D567-P582 WeakPolarHBondContact OD2-CA 3.43Å
583	M	95.8	Very high	95.5	Very high	160 Å²	160	66.1 Å²	66.1	79%	0.788	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-13.4	178.7	-64.7	-60.5	-61.5	0	0	114	N581 T585	N581-M583 PolarHBondContact O-N 3.37Å; M583-T585 PolarHBondContact O-N 3.2Å; M583-T585 VanDerWaalsContact O-N 3.16Å
584	Q	96.3	Very high	95.4	Very high	47 Å²	47	61.2 Å²	61.2	22%	0.22	32%	0.319	C	S	.	.			trans	45.9	45.5	179.2	-62.6	-77.7	-67	0	0	112.4	I569 L573 D574 N575 N581	I569-Q584 HydrophobicContact CD1-CG 3.15Å; L573-Q584 PolarHBondContact O-OE1 3.05Å; D574-Q584 PolarHBondContact OD1-NE2 3.35Å; N575-Q584 VanDerWaalsContact OD1-CD 3.26Å; N575-Q584 PolarHBondContact OD1-NE2 3.41Å; N575-Q584 PolarHBondContact OD1-OE1 2.64Å; N575-Q584 VanDerWaalsContact OD1-OE1 3.11Å; N581-Q584 PolarHBondContact ND2-NE2 2.92Å; N581-Q584 PolarHBondContact O-N 2.86Å; N581-Q584 PolarHBondContact O-NE2 3.02Å; N581-Q584 PolarHBondContact OD1-NE2 2.85Å
585	T	97.1	Very high	95.3	Very high	73 Å²	73	63.1 Å²	63.1	45%	0.448	34%	0.337	S	S	.	.			trans	-72.8	133	179.7	-54.2	0	0	0	0	108.4	M583 G593 D594	M583-T585 PolarHBondContact O-N 3.2Å; M583-T585 VanDerWaalsContact O-N 3.16Å; T585-G593 CarbonylContact O-C 3.57Å; T585-G593 VanDerWaalsContact O-CA 3.29Å; T585-G593 WeakPolarHBondContact O-CA 3.29Å; T585-D594 WeakPolarHBondContact CG2-OD2 3.35Å; T585-D594 PolarHBondContact O-N 2.81Å
586	D	96.1	Very high	95.2	Very high	45 Å²	45	64 Å²	64	24%	0.241	34%	0.344	C	S	.	.			trans	-143.2	95.4	178.9	170.9	1.2	0	0	0	107	R589 D594	D586-R589 WeakPolarHBondContact OD1-CA 3.4Å; D586-R589 PolarHBondContact OD1-N 3.38Å; D586-R589 WeakPolarHBondContact OD2-CA 3.38Å; D586-D594 VanDerWaalsContact CA-OD1 3.27Å; D586-D594 WeakPolarHBondContact CA-OD1 3.14Å
587	R	95.5	Very high	95.1	Very high	139 Å²	139	64.5 Å²	64.5	53%	0.525	35%	0.347	S	S	.	.	S	Bend	trans	-71.6	-41.7	-170.8	-115.5	-180	-70.1	173.2	3.2	112.2	D594 P600 E601	R587-D594 IonicContact CZ-OD2 3.7Å; R587-D594 VanDerWaalsContact CZ-OD2 3.22Å; R587-D594 PolarHBondContact N-OD1 2.99Å; R587-D594 IonicContact NE-OD2 3.66Å; R587-D594 PolarHBondContact NE-OD2 3.44Å; R587-D594 IonicContact NH2-OD2 3.81Å; R587-D594 PolarHBondContact NH2-OD2 2.75Å; R587-P600 WeakPolarHBondContact CB-O 3.24Å; R587-E601 IonicContact CZ-OE1 2.79Å; R587-E601 IonicContact NE-OE1 3.02Å; R587-E601 IonicContact NH1-OE1 2.79Å; R587-E601 PolarHBondContact NH1-OE1 3.44Å
588	D	95.1	Very high	95	Very high	36 Å²	36	63.5 Å²	63.5	19%	0.193	34%	0.341	C	S	.	.	S	Bend	trans	-99	-11.6	-171.3	74.9	4.6	0	0	0	113.9	D590 L602 S603	D588-D590 WeakPolarHBondContact OD1-CB 3.48Å; D588-D590 PolarHBondContact OD1-N 2.72Å; D588-L602 WeakPolarHBondContact OD2-CA 3.37Å; D588-L602 PolarHBondContact OD2-N 3.29Å; D588-S603 WeakPolarHBondContact OD2-CA 3.38Å; D588-S603 PolarHBondContact OD2-N 2.86Å
589	R	95.7	Very high	95.1	Very high	212 Å²	212	57.4 Å²	57.4	80%	0.8	31%	0.314	S	S	*	.			trans	66.9	38.3	175.1	-54.1	-178	-175.4	158.2	3	114.1	D586	D586-R589 WeakPolarHBondContact OD1-CA 3.4Å; D586-R589 PolarHBondContact OD1-N 3.38Å; D586-R589 WeakPolarHBondContact OD2-CA 3.38Å
590	D	95.5	Very high	95.1	Very high	18 Å²	18	56 Å²	56	10%	0.096	31%	0.307	C	S	.	.	S	Bend	trans	-85.7	-14.1	176	90	-20.7	0	0	0	113.2	D588 V592 S603 N604 P605	D588-D590 WeakPolarHBondContact OD1-CB 3.48Å; D588-D590 PolarHBondContact OD1-N 2.72Å; D590-V592 WeakPolarHBondContact OD1-CA 3.46Å; D590-V592 WeakPolarHBondContact OD1-CB 3.49Å; D590-V592 PolarHBondContact OD1-N 3.48Å; D590-S603 WeakPolarHBondContact CB-OG 3.24Å; D590-N604 WeakPolarHBondContact OD2-CA 3.18Å; D590-N604 PolarHBondContact OD2-N 3.43Å; D590-N604 PolarHBondContact OD2-OD1 2.75Å; D590-P605 HydrophobicContact CB-CG 3.91Å; D590-P605 WeakPolarHBondContact O-CG 3.09Å; D590-P605 WeakPolarHBondContact OD2-CA 3.43Å; D590-P605 VanDerWaalsContact OD2-N 3.08Å
591	G	93.9	Very high	95	Very high	48 Å²	48	58.1 Å²	58.1	50%	0.495	31%	0.309	S	S	.	.	S	Bend	trans	101.2	-1.1	179.5	0	0	0	0	0	114.4
592	V	96.3	Very high	94.9	Very high	22 Å²	22	61.6 Å²	61.6	13%	0.133	33%	0.327	C	S	.	.	S	Bend	trans	-104.3	137.1	171.8	-172.5	0	0	0	0	107.8	D590 C596 D597 Q607	D590-V592 WeakPolarHBondContact OD1-CA 3.46Å; D590-V592 WeakPolarHBondContact OD1-CB 3.49Å; D590-V592 PolarHBondContact OD1-N 3.48Å; V592-C596 VanDerWaalsContact CG1-SG 3.55Å; V592-D597 HydrophobicContact CB-CB 4.37Å; V592-D597 HydrophobicContact CG1-CB 3.9Å; V592-Q607 HydrophobicContact CB-CG 4.43Å; V592-Q607 HydrophobicContact CG1-CG 4.06Å; V592-Q607 HydrophobicContact CG2-CG 3.82Å
593	G	96.2	Very high	94.8	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	32%	0.324	C	S	.	.			trans	-79.3	150.1	-179.2	0	0	0	0	0	112.7	N575 C576 T585 A595 C596 D597	N575-G593 VanDerWaalsContact CG-CA 3.41Å; N575-G593 WeakPolarHBondContact ND2-CA 3.18Å; N575-G593 PolarHBondContact O-N 3.44Å; C576-G593 VanDerWaalsContact SG-C 3.5Å; C576-G593 WeakPolarHBondContact SG-CA 3.31Å; C576-G593 PolarHBondContact SG-N 3.15Å; C576-G593 VanDerWaalsContact SG-N 3.45Å; C576-G593 PolarHBondContact SG-O 2.82Å; T585-G593 CarbonylContact O-C 3.57Å; T585-G593 VanDerWaalsContact O-CA 3.29Å; T585-G593 WeakPolarHBondContact O-CA 3.29Å; G593-A595 PolarHBondContact O-N 2.64Å; G593-C596 PolarHBondContact O-N 2.89Å; G593-D597 WeakPolarHBondContact O-CB 3.18Å; G593-D597 PolarHBondContact O-N 3.28Å
594	D	94.8	Very high	94.7	Very high	29 Å²	29	53.7 Å²	53.7	16%	0.155	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-26.6	-178.9	-71.1	22.9	0	0	0	114.2	T585 D586 R587	T585-D594 WeakPolarHBondContact CG2-OD2 3.35Å; T585-D594 PolarHBondContact O-N 2.81Å; D586-D594 VanDerWaalsContact CA-OD1 3.27Å; D586-D594 WeakPolarHBondContact CA-OD1 3.14Å; R587-D594 IonicContact CZ-OD2 3.7Å; R587-D594 VanDerWaalsContact CZ-OD2 3.22Å; R587-D594 PolarHBondContact N-OD1 2.99Å; R587-D594 IonicContact NE-OD2 3.66Å; R587-D594 PolarHBondContact NE-OD2 3.44Å; R587-D594 IonicContact NH2-OD2 3.81Å; R587-D594 PolarHBondContact NH2-OD2 2.75Å
595	A	94	Very high	94.6	Very high	54 Å²	54	55.3 Å²	55.3	45%	0.446	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-26.2	-177.5	0	0	0	0	0	113.6	V579 N581 G593	V579-A595 HydrophobicContact CG1-CB 3.99Å; N581-A595 HydrophobicContact CB-CB 3.6Å; G593-A595 PolarHBondContact O-N 2.64Å
596	C	93.4	Very high	94.4	Very high	43 Å²	43	59.4 Å²	59.4	29%	0.291	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125	5.3	-178.2	67.5	0	0	0	0	112.6	C576 V579 V592 G593	C576-C596 WeakPolarHBondContact CA-SG 3.49Å; C576-C596 HydrophobicContact CB-CB 3.71Å; C576-C596 WeakPolarHBondContact CB-SG 3.3Å; C576-C596 WeakPolarHBondContact SG-CB 3.41Å; C576-C596 PolarHBondContact SG-N 3.44Å; C576-C596 CovalentContact SG-SG 2.04Å; C576-C596 PolarHBondContact SG-SG 3.13Å; V579-C596 HydrophobicContact CB-CB 4.08Å; V579-C596 HydrophobicContact CG2-CB 3.86Å; V592-C596 VanDerWaalsContact CG1-SG 3.55Å; G593-C596 PolarHBondContact O-N 2.89Å
597	D	94.8	Very high	94.3	Very high	11 Å²	11	59.5 Å²	59.5	6%	0.059	32%	0.319	C	S	.	.			trans	-83.5	118.7	177.6	-176.8	-0.4	0	0	0	109.9	V592 G593 C599 P600 N604 Q607	V592-D597 HydrophobicContact CB-CB 4.37Å; V592-D597 HydrophobicContact CG1-CB 3.9Å; G593-D597 WeakPolarHBondContact O-CB 3.18Å; G593-D597 PolarHBondContact O-N 3.28Å; D597-C599 VanDerWaalsContact CG-C 3.47Å; D597-C599 PolarHBondContact O-N 2.89Å; D597-C599 VanDerWaalsContact OD1-C 3.3Å; D597-C599 WeakPolarHBondContact OD1-CA 3.48Å; D597-C599 PolarHBondContact OD1-N 3.33Å; D597-P600 HydrophobicContact CB-CG 4.4Å; D597-P600 VanDerWaalsContact O-CD 3.27Å; D597-P600 WeakPolarHBondContact O-CD 3.03Å; D597-P600 VanDerWaalsContact O-CG 3.3Å; D597-P600 WeakPolarHBondContact O-CG 3.46Å; D597-P600 VanDerWaalsContact OD2-CA 3.26Å; D597-P600 WeakPolarHBondContact OD2-CA 3.44Å; D597-N604 PolarHBondContact OD1-OD1 3.21Å; D597-Q607 PolarHBondContact OD1-NE2 2.79Å; D597-Q607 PolarHBondContact OD1-OE1 2.92Å
598	S	93.5	Very high	94.2	Very high	27 Å²	27	55.7 Å²	55.7	19%	0.189	31%	0.311	C	S	.	.	S	Bend	trans	-67.3	-14.9	175.1	-54	0	0	0	0	112.6	Q607 G616 C619 R634	S598-Q607 PolarHBondContact OG-OE1 3.03Å; S598-G616 PolarHBondContact O-N 3.15Å; S598-C619 PolarHBondContact O-SG 3.47Å; S598-C619 VanDerWaalsContact O-SG 3.33Å; S598-R634 PolarHBondContact O-NH1 3.13Å; S598-R634 PolarHBondContact O-NH2 3.47Å
599	C	93.6	Very high	94	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.014	31%	0.311	C	S	.	.	S	Bend	trans	-136.9	69	174.2	-61.9	0	0	0	0	113.8	D597 E601 L602 G616 C619	D597-C599 VanDerWaalsContact CG-C 3.47Å; D597-C599 PolarHBondContact O-N 2.89Å; D597-C599 VanDerWaalsContact OD1-C 3.3Å; D597-C599 WeakPolarHBondContact OD1-CA 3.48Å; D597-C599 PolarHBondContact OD1-N 3.33Å; C599-E601 PolarHBondContact O-N 3.5Å; C599-L602 HydrophobicContact CB-CB 4.43Å; C599-L602 PolarHBondContact O-N 2.73Å; C599-G616 VanDerWaalsContact SG-CA 3.54Å; C599-G616 PolarHBondContact SG-O 3.43Å; C599-C619 VanDerWaalsContact CA-SG 3.5Å; C599-C619 HydrophobicContact CB-CB 3.73Å; C599-C619 WeakPolarHBondContact CB-SG 3.03Å; C599-C619 WeakPolarHBondContact SG-CB 3.45Å; C599-C619 PolarHBondContact SG-N 3.3Å; C599-C619 CovalentContact SG-SG 2.04Å; C599-C619 PolarHBondContact SG-SG 2.03Å
600	P	93.8	Very high	93.8	Very high	27 Å²	27	50.6 Å²	50.6	18%	0.175	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-6.1	-171.2	-25.6	35.3	0	0	0	118.1	R587 D597	R587-P600 WeakPolarHBondContact CB-O 3.24Å; D597-P600 HydrophobicContact CB-CG 4.4Å; D597-P600 VanDerWaalsContact O-CD 3.27Å; D597-P600 WeakPolarHBondContact O-CD 3.03Å; D597-P600 VanDerWaalsContact O-CG 3.3Å; D597-P600 WeakPolarHBondContact O-CG 3.46Å; D597-P600 VanDerWaalsContact OD2-CA 3.26Å; D597-P600 WeakPolarHBondContact OD2-CA 3.44Å
601	E	91.8	Very high	93.4	Very high	128 Å²	128	50.6 Å²	50.6	60%	0.598	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.3	-10.5	-177.8	-64.9	-69.5	156.1	0	0	112.9	R587 C599	R587-E601 IonicContact CZ-OE1 2.79Å; R587-E601 IonicContact NE-OE1 3.02Å; R587-E601 IonicContact NH1-OE1 2.79Å; R587-E601 PolarHBondContact NH1-OE1 3.44Å; C599-E601 PolarHBondContact O-N 3.5Å
602	L	93.5	Very high	93.3	Very high	88 Å²	88	50.3 Å²	50.3	46%	0.461	29%	0.29	S	S	.	.	S	Bend	trans	-141	110.9	-169.3	-69.5	-179.6	0	0	0	112.2	D588 C599 N604 V618 C619	D588-L602 WeakPolarHBondContact OD2-CA 3.37Å; D588-L602 PolarHBondContact OD2-N 3.29Å; C599-L602 HydrophobicContact CB-CB 4.43Å; C599-L602 PolarHBondContact O-N 2.73Å; L602-N604 PolarHBondContact O-N 2.96Å; L602-N604 VanDerWaalsContact O-N 3.1Å; L602-N604 PolarHBondContact O-OD1 2.91Å; L602-N604 VanDerWaalsContact O-OD1 3.09Å; L602-V618 HydrophobicContact CB-CG1 4.08Å; L602-V618 HydrophobicContact CD1-CG1 4.47Å; L602-C619 HydrophobicContact CD1-CB 4.01Å
603	S	94.8	Very high	92.9	Very high	69 Å²	69	50.6 Å²	50.6	48%	0.483	29%	0.291	S	S	.	.			trans	-50.7	114.8	-174.2	179.1	0	0	0	0	114.5	D588 D590	D588-S603 WeakPolarHBondContact OD2-CA 3.38Å; D588-S603 PolarHBondContact OD2-N 2.86Å; D590-S603 WeakPolarHBondContact CB-OG 3.24Å
604	N	94.2	Very high	92.7	Very high	10 Å²	10	54.1 Å²	54.1	5%	0.053	31%	0.31	C	S	.	.			trans	-142.3	65.9	-178.5	64.1	-42.9	0	0	0	111.6	D590 D597 L602 M606 Q607 V618	D590-N604 WeakPolarHBondContact OD2-CA 3.18Å; D590-N604 PolarHBondContact OD2-N 3.43Å; D590-N604 PolarHBondContact OD2-OD1 2.75Å; D597-N604 PolarHBondContact OD1-OD1 3.21Å; L602-N604 PolarHBondContact O-N 2.96Å; L602-N604 VanDerWaalsContact O-N 3.1Å; L602-N604 PolarHBondContact O-OD1 2.91Å; L602-N604 VanDerWaalsContact O-OD1 3.09Å; N604-M606 PolarHBondContact O-N 2.98Å; N604-Q607 VanDerWaalsContact CG-NE2 3.31Å; N604-Q607 PolarHBondContact ND2-NE2 2.66Å; N604-Q607 VanDerWaalsContact ND2-NE2 3.12Å; N604-Q607 PolarHBondContact ND2-OE1 3.02Å; N604-Q607 PolarHBondContact O-N 3.14Å; N604-Q607 PolarHBondContact O-NE2 3.34Å; N604-Q607 PolarHBondContact OD1-NE2 2.98Å; N604-Q607 VanDerWaalsContact OD1-NE2 3.14Å; N604-V618 HydrophobicContact CB-CB 3.94Å; N604-V618 HydrophobicContact CB-CG1 4.48Å; N604-V618 HydrophobicContact CB-CG2 3.61Å
605	P	93.8	Very high	92.6	Very high	81 Å²	81	53.4 Å²	53.4	53%	0.526	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-12.3	-171	-21.9	29.3	0	0	0	116.4	D590	D590-P605 HydrophobicContact CB-CG 3.91Å; D590-P605 WeakPolarHBondContact O-CG 3.09Å; D590-P605 WeakPolarHBondContact OD2-CA 3.43Å; D590-P605 VanDerWaalsContact OD2-N 3.08Å
606	M	93.1	Very high	92.6	Very high	159 Å²	159	50.9 Å²	50.9	78%	0.783	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-12.5	179.4	-67.3	-173.3	58	0	0	113.5	N604 T608	N604-M606 PolarHBondContact O-N 2.98Å; M606-T608 HydrophobicContact CB-CG2 4.04Å; M606-T608 HydrophobicContact CE-CG2 4.4Å; M606-T608 PolarHBondContact O-N 2.82Å; M606-T608 VanDerWaalsContact O-N 3.11Å
607	Q	93.9	Very high	92.5	Very high	46 Å²	46	51.7 Å²	51.7	22%	0.215	29%	0.286	C	S	.	.			trans	46.2	43.7	178.2	-60	-66.5	-36.8	0	0	112.5	V592 D597 S598 N604	V592-Q607 HydrophobicContact CB-CG 4.43Å; V592-Q607 HydrophobicContact CG1-CG 4.06Å; V592-Q607 HydrophobicContact CG2-CG 3.82Å; D597-Q607 PolarHBondContact OD1-NE2 2.79Å; D597-Q607 PolarHBondContact OD1-OE1 2.92Å; S598-Q607 PolarHBondContact OG-OE1 3.03Å; N604-Q607 VanDerWaalsContact CG-NE2 3.31Å; N604-Q607 PolarHBondContact ND2-NE2 2.66Å; N604-Q607 VanDerWaalsContact ND2-NE2 3.12Å; N604-Q607 PolarHBondContact ND2-OE1 3.02Å; N604-Q607 PolarHBondContact O-N 3.14Å; N604-Q607 PolarHBondContact O-NE2 3.34Å; N604-Q607 PolarHBondContact OD1-NE2 2.98Å; N604-Q607 VanDerWaalsContact OD1-NE2 3.14Å
608	T	93	Very high	92.4	Very high	60 Å²	60	55 Å²	55	37%	0.368	31%	0.307	S	S	.	.			trans	-77	134.1	177.2	55.1	0	0	0	0	109.5	M606 G616 D617	M606-T608 HydrophobicContact CB-CG2 4.04Å; M606-T608 HydrophobicContact CE-CG2 4.4Å; M606-T608 PolarHBondContact O-N 2.82Å; M606-T608 VanDerWaalsContact O-N 3.11Å; T608-G616 WeakPolarHBondContact O-CA 3.18Å; T608-D617 WeakPolarHBondContact CB-OD2 3.4Å; T608-D617 VanDerWaalsContact O-CG 3.3Å; T608-D617 PolarHBondContact O-N 2.97Å; T608-D617 PolarHBondContact OG1-OD2 2.84Å
609	D	91.6	Very high	92.4	Very high	36 Å²	36	54.6 Å²	54.6	19%	0.193	30%	0.304	C	S	.	.			trans	-140.5	99.2	179.1	171.9	0.1	0	0	0	105.8	N612 D613 L614	D609-N612 WeakPolarHBondContact OD1-CA 3.33Å; D609-N612 PolarHBondContact OD1-N 3.07Å; D609-N612 WeakPolarHBondContact OD2-CA 3.26Å; D609-D613 PolarHBondContact OD1-N 2.8Å; D609-D613 PolarHBondContact OD2-N 3.33Å; D609-L614 WeakPolarHBondContact OD2-CA 3.18Å; D609-L614 PolarHBondContact OD2-N 3.13Å
610	V	89.8	Confident	92.4	Very high	105 Å²	105	56 Å²	56	64%	0.636	31%	0.311	S	S	*	.	S	Bend	trans	-77.4	-36.7	-171.6	168.5	0	0	0	0	112.2	N612 D617	V610-N612 PolarHBondContact O-ND2 2.88Å; V610-D617 WeakPolarHBondContact CG2-OD1 3.5Å; V610-D617 PolarHBondContact N-OD1 3.06Å
611	D	88.3	Confident	92.2	Very high	18 Å²	18	58.6 Å²	58.6	10%	0.096	33%	0.327	C	S	.	.	S	Bend	trans	-98.9	1.6	-177.1	47.6	5.3	0	0	0	113.7	D613 N622 D794 S795	D611-D613 VanDerWaalsContact C-N 3.31Å; D611-D613 PolarHBondContact O-N 3.5Å; D611-N622 PolarHBondContact OD2-ND2 2.82Å; D611-D794 HydrophobicContact CB-CB 4.34Å; D611-S795 VanDerWaalsContact C-OG 3.22Å; D611-S795 WeakPolarHBondContact CA-OG 3.49Å; D611-S795 WeakPolarHBondContact O-CB 3.04Å; D611-S795 PolarHBondContact O-N 2.77Å; D611-S795 PolarHBondContact O-OG 2.94Å
612	N	90.7	Very high	92.1	Very high	42 Å²	42	57.5 Å²	57.5	23%	0.225	33%	0.325	C	S	.	.			trans	61.5	33.5	171	-60.5	-93.6	0	0	0	113.7	D609 V610 Q724 V726 Y792	D609-N612 WeakPolarHBondContact OD1-CA 3.33Å; D609-N612 PolarHBondContact OD1-N 3.07Å; D609-N612 WeakPolarHBondContact OD2-CA 3.26Å; V610-N612 PolarHBondContact O-ND2 2.88Å; N612-Q724 PolarHBondContact O-NE2 2.61Å; N612-V726 HydrophobicContact CB-CG1 4.36Å; N612-Y792 PolarHBondContact O-OH 3.17Å
613	D	89.4	Confident	92.1	Very high	28 Å²	28	58 Å²	58	15%	0.15	33%	0.327	C	S	.	.	S	Bend	trans	-91.7	1.2	179.4	79.3	-15.3	0	0	0	113.3	D609 D611 V615 D794	D609-D613 PolarHBondContact OD1-N 2.8Å; D609-D613 PolarHBondContact OD2-N 3.33Å; D611-D613 VanDerWaalsContact C-N 3.31Å; D611-D613 PolarHBondContact O-N 3.5Å; D613-V615 VanDerWaalsContact C-N 3.27Å; D613-V615 WeakPolarHBondContact OD1-CA 3.32Å; D613-V615 VanDerWaalsContact OD1-CB 3.24Å; D613-V615 WeakPolarHBondContact OD1-CB 3.22Å; D613-V615 PolarHBondContact OD1-N 3.36Å; D613-D794 HydrophobicContact CB-CB 3.72Å
614	L	91.3	Very high	92.1	Very high	74 Å²	74	56.9 Å²	56.9	39%	0.387	32%	0.316	S	S	.	.	S	Bend	trans	74.8	8.2	-175.6	-45.4	173	0	0	0	114.3	D609 Y763	D609-L614 WeakPolarHBondContact OD2-CA 3.18Å; D609-L614 PolarHBondContact OD2-N 3.13Å; L614-Y763 HydrophobicContact CD1-CD1 4.13Å; L614-Y763 HydrophobicContact CD1-CE1 4.13Å
615	V	92.7	Very high	92.1	Very high	14 Å²	14	60 Å²	60	9%	0.085	34%	0.339	C	S	.	.	S	Bend	trans	-107.5	122.2	172.7	-171.2	0	0	0	0	108.7	D613 D620	D613-V615 VanDerWaalsContact C-N 3.27Å; D613-V615 WeakPolarHBondContact OD1-CA 3.32Å; D613-V615 VanDerWaalsContact OD1-CB 3.24Å; D613-V615 WeakPolarHBondContact OD1-CB 3.22Å; D613-V615 PolarHBondContact OD1-N 3.36Å; V615-D620 HydrophobicContact CB-CB 4.38Å; V615-D620 HydrophobicContact CG1-CB 3.91Å
616	G	92.7	Very high	92.1	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	32%	0.316	C	S	.	.			trans	-70.8	147.8	-176.3	0	0	0	0	0	112.4	S598 C599 T608 V618 C619 D620	S598-G616 PolarHBondContact O-N 3.15Å; C599-G616 VanDerWaalsContact SG-CA 3.54Å; C599-G616 PolarHBondContact SG-O 3.43Å; T608-G616 WeakPolarHBondContact O-CA 3.18Å; G616-V618 PolarHBondContact O-N 2.8Å; G616-C619 PolarHBondContact O-N 3.04Å; G616-C619 PolarHBondContact O-SG 2.62Å; G616-C619 VanDerWaalsContact O-SG 3.35Å; G616-D620 WeakPolarHBondContact O-CB 3.11Å; G616-D620 PolarHBondContact O-N 3.27Å
617	D	92.6	Very high	92.1	Very high	60 Å²	60	49.9 Å²	49.9	32%	0.321	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-25.9	-174.9	-59.4	-29	0	0	0	114.5	T608 V610	T608-D617 WeakPolarHBondContact CB-OD2 3.4Å; T608-D617 VanDerWaalsContact O-CG 3.3Å; T608-D617 PolarHBondContact O-N 2.97Å; T608-D617 PolarHBondContact OG1-OD2 2.84Å; V610-D617 WeakPolarHBondContact CG2-OD1 3.5Å; V610-D617 PolarHBondContact N-OD1 3.06Å
618	V	93.3	Very high	92.1	Very high	81 Å²	81	47.8 Å²	47.8	49%	0.491	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-32.4	-177.7	176.5	0	0	0	0	112	L602 N604 G616	L602-V618 HydrophobicContact CB-CG1 4.08Å; L602-V618 HydrophobicContact CD1-CG1 4.47Å; N604-V618 HydrophobicContact CB-CB 3.94Å; N604-V618 HydrophobicContact CB-CG1 4.48Å; N604-V618 HydrophobicContact CB-CG2 3.61Å; G616-V618 PolarHBondContact O-N 2.8Å
619	C	92	Very high	92.1	Very high	18 Å²	18	46 Å²	46	12%	0.122	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-9	-179	62.4	0	0	0	0	113.3	S598 C599 L602 G616 T621 Q631 R634	S598-C619 PolarHBondContact O-SG 3.47Å; S598-C619 VanDerWaalsContact O-SG 3.33Å; C599-C619 VanDerWaalsContact CA-SG 3.5Å; C599-C619 HydrophobicContact CB-CB 3.73Å; C599-C619 WeakPolarHBondContact CB-SG 3.03Å; C599-C619 WeakPolarHBondContact SG-CB 3.45Å; C599-C619 PolarHBondContact SG-N 3.3Å; C599-C619 CovalentContact SG-SG 2.04Å; C599-C619 PolarHBondContact SG-SG 2.03Å; L602-C619 HydrophobicContact CD1-CB 4.01Å; G616-C619 PolarHBondContact O-N 3.04Å; G616-C619 PolarHBondContact O-SG 2.62Å; G616-C619 VanDerWaalsContact O-SG 3.35Å; C619-T621 PolarHBondContact O-N 2.88Å; C619-Q631 PolarHBondContact O-NE2 2.94Å; C619-R634 PolarHBondContact SG-NH2 3.03Å
620	D	93.3	Very high	92.3	Very high	31 Å²	31	47.2 Å²	47.2	17%	0.166	28%	0.277	C	S	.	.			trans	-67.5	122.9	171.1	172.8	24.2	0	0	0	110.4	V615 G616 N622	V615-D620 HydrophobicContact CB-CB 4.38Å; V615-D620 HydrophobicContact CG1-CB 3.91Å; G616-D620 WeakPolarHBondContact O-CB 3.11Å; G616-D620 PolarHBondContact O-N 3.27Å; D620-N622 PolarHBondContact OD1-N 3.09Å; D620-N622 PolarHBondContact OD1-ND2 3.16Å; D620-N622 PolarHBondContact OD2-ND2 3.16Å
621	T	91.4	Very high	92.5	Very high	82 Å²	82	42.7 Å²	42.7	50%	0.503	25%	0.249	S	C	.	.			trans	-108.2	-13.3	178	57.7	0	0	0	0	112.6	C619 L623 Q631	C619-T621 PolarHBondContact O-N 2.88Å; T621-L623 PolarHBondContact O-N 3.43Å; T621-Q631 PolarHBondContact OG1-OE1 2.79Å; T621-Q631 VanDerWaalsContact OG1-OE1 3.08Å
622	N	89.7	Confident	92.7	Very high	105 Å²	105	44 Å²	44	56%	0.561	26%	0.256	S	S	*	.			trans	50.9	22.5	-175.7	-96.7	-70.3	0	0	0	113	D611 D620	D611-N622 PolarHBondContact OD2-ND2 2.82Å; D620-N622 PolarHBondContact OD1-N 3.09Å; D620-N622 PolarHBondContact OD1-ND2 3.16Å; D620-N622 PolarHBondContact OD2-ND2 3.16Å
623	L	93.3	Very high	92.7	Very high	98 Å²	98	46 Å²	46	51%	0.513	27%	0.273	S	S	.	.			trans	-104.5	101.2	179.5	-178.1	69	0	0	0	108	T621 Q631 D632	T621-L623 PolarHBondContact O-N 3.43Å; L623-Q631 CarbonylContact O-C 3.59Å; L623-Q631 VanDerWaalsContact O-CA 3.3Å; L623-Q631 WeakPolarHBondContact O-CA 3.12Å; L623-D632 WeakPolarHBondContact CD2-OD2 3.32Å; L623-D632 WeakPolarHBondContact CG-OD2 3.46Å; L623-D632 PolarHBondContact O-N 2.86Å
624	D	94.7	Very high	92.8	Very high	46 Å²	46	49.4 Å²	49.4	25%	0.246	28%	0.284	C	S	.	.			trans	-124	104.3	176.9	167.1	4.6	0	0	0	106.5	D626 G627 D628 G629	D624-D626 PolarHBondContact OD1-N 2.89Å; D624-D626 VanDerWaalsContact OD1-OD1 3.12Å; D624-G627 VanDerWaalsContact OD1-CA 3.25Å; D624-G627 WeakPolarHBondContact OD1-CA 3.43Å; D624-G627 PolarHBondContact OD1-N 3.05Å; D624-G627 WeakPolarHBondContact OD2-CA 3.17Å; D624-D628 PolarHBondContact OD1-N 2.93Å; D624-D628 PolarHBondContact OD2-N 2.9Å; D624-G629 PolarHBondContact OD2-N 2.82Å
625	S	93.6	Very high	93	Very high	75 Å²	75	46.4 Å²	46.4	52%	0.524	27%	0.268	S	S	.	.	S	Bend	trans	-75.4	-30.5	-171.4	-73.5	0	0	0	0	113.2	D632	S625-D632 VanDerWaalsContact CB-OD1 3.24Å; S625-D632 WeakPolarHBondContact CB-OD1 3.37Å; S625-D632 PolarHBondContact N-OD1 2.88Å; S625-D632 VanDerWaalsContact OG-CG 3.32Å; S625-D632 PolarHBondContact OG-OD1 3.43Å; S625-D632 PolarHBondContact OG-OD2 2.9Å
626	D	93.4	Very high	93.2	Very high	10 Å²	10	47 Å²	47	5%	0.053	27%	0.271	C	S	.	.	S	Bend	trans	-104.4	-14.7	-174.6	74.1	6.1	0	0	0	113.8	D624 D628 I640 P641 R907	D624-D626 PolarHBondContact OD1-N 2.89Å; D624-D626 VanDerWaalsContact OD1-OD1 3.12Å; D626-D628 WeakPolarHBondContact OD1-CB 2.96Å; D626-D628 PolarHBondContact OD1-N 2.89Å; D626-D628 VanDerWaalsContact OD1-N 3.13Å; D626-I640 PolarHBondContact OD2-N 3.26Å; D626-I640 VanDerWaalsContact OD2-N 3.09Å; D626-I640 VanDerWaalsContact OD2-O 3.09Å; D626-P641 HydrophobicContact CB-CG 4.01Å; D626-P641 VanDerWaalsContact OD2-CA 3.27Å; D626-P641 WeakPolarHBondContact OD2-CA 2.8Å; D626-R907 WeakPolarHBondContact O-CD 3.46Å; D626-R907 PolarHBondContact O-NH1 2.95Å; D626-R907 VanDerWaalsContact O-NH1 3.08Å
627	G	93.3	Very high	93.3	Very high	19 Å²	19	47.1 Å²	47.1	20%	0.196	27%	0.272	C	S	.	.	S	Bend	trans	88.1	20.5	170.3	0	0	0	0	0	114.5	D624 Q793 R907	D624-G627 VanDerWaalsContact OD1-CA 3.25Å; D624-G627 WeakPolarHBondContact OD1-CA 3.43Å; D624-G627 PolarHBondContact OD1-N 3.05Å; D624-G627 WeakPolarHBondContact OD2-CA 3.17Å; G627-Q793 PolarHBondContact O-NE2 3.04Å; G627-R907 WeakPolarHBondContact O-CB 3.33Å; G627-R907 PolarHBondContact O-N 2.9Å
628	D	94.5	Very high	93.5	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	27%	0.271	C	S	.	.	S	Bend	trans	-85.1	-12.2	-174	91.2	-18.5	0	0	0	114.2	D624 D626 H630 P641 N642 S643 Q793	D624-D628 PolarHBondContact OD1-N 2.93Å; D624-D628 PolarHBondContact OD2-N 2.9Å; D626-D628 WeakPolarHBondContact OD1-CB 2.96Å; D626-D628 PolarHBondContact OD1-N 2.89Å; D626-D628 VanDerWaalsContact OD1-N 3.13Å; D628-H630 WeakPolarHBondContact OD1-CB 3.1Å; D628-H630 IonicContact OD1-CD2 3.8Å; D628-H630 IonicContact OD1-CG 2.82Å; D628-H630 PolarHBondContact OD1-N 3.18Å; D628-H630 IonicContact OD2-CD2 3.7Å; D628-P641 HydrophobicContact CB-CB 3.81Å; D628-N642 PolarHBondContact OD2-N 2.57Å; D628-N642 PolarHBondContact OD2-OD1 2.87Å; D628-S643 PolarHBondContact O-OG 2.87Å; D628-S643 WeakPolarHBondContact OD2-CA 3.36Å; D628-S643 PolarHBondContact OD2-N 2.79Å; D628-Q793 PolarHBondContact O-NE2 3.36Å
629	G	93.1	Very high	93.5	Very high	24 Å²	24	49.7 Å²	49.7	25%	0.247	29%	0.285	C	S	.	.	S	Bend	trans	104	-4.6	178.8	0	0	0	0	0	114.8	D624 Q793	D624-G629 PolarHBondContact OD2-N 2.82Å; G629-Q793 VanDerWaalsContact CA-CD 3.43Å; G629-Q793 VanDerWaalsContact N-NE2 3.11Å
630	H	94.6	Very high	93.5	Very high	61 Å²	61	52.4 Å²	52.4	28%	0.282	30%	0.298	S	S	.	.	S	Bend	trans	-101.9	131.6	171.2	-64.4	-77.2	0	0	0	109.8	D628 D635 S643 Q645	D628-H630 WeakPolarHBondContact OD1-CB 3.1Å; D628-H630 IonicContact OD1-CD2 3.8Å; D628-H630 IonicContact OD1-CG 2.82Å; D628-H630 PolarHBondContact OD1-N 3.18Å; D628-H630 IonicContact OD2-CD2 3.7Å; H630-D635 HydrophobicContact CB-CB 3.98Å; H630-S643 PolarHBondContact NE2-O 3.25Å; H630-Q645 VanDerWaalsContact CD2-CG 3.44Å; H630-Q645 WeakPolarHBondContact CD2-CG 3.4Å; H630-Q645 VanDerWaalsContact NE2-CG 3.27Å; H630-Q645 WeakPolarHBondContact NE2-CG 3.27Å
631	Q	94.4	Very high	93.5	Very high	10 Å²	10	52.6 Å²	52.6	5%	0.047	30%	0.301	C	S	.	.			trans	-68.8	146.4	176.3	61.3	174.2	26.6	0	0	111.5	C619 T621 L623 S633 R634 D635	C619-Q631 PolarHBondContact O-NE2 2.94Å; T621-Q631 PolarHBondContact OG1-OE1 2.79Å; T621-Q631 VanDerWaalsContact OG1-OE1 3.08Å; L623-Q631 CarbonylContact O-C 3.59Å; L623-Q631 VanDerWaalsContact O-CA 3.3Å; L623-Q631 WeakPolarHBondContact O-CA 3.12Å; Q631-S633 PolarHBondContact NE2-OG 2.79Å; Q631-S633 PolarHBondContact O-N 2.88Å; Q631-R634 HydrophobicContact CG-CB 4.15Å; Q631-R634 HydrophobicContact CG-CG 4.17Å; Q631-R634 PolarHBondContact O-N 2.86Å; Q631-D635 PolarHBondContact O-N 2.86Å
632	D	93.4	Very high	93.7	Very high	46 Å²	46	48.7 Å²	48.7	25%	0.246	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-24.5	-176	-68	-1.1	0	0	0	114.7	L623 S625	L623-D632 WeakPolarHBondContact CD2-OD2 3.32Å; L623-D632 WeakPolarHBondContact CG-OD2 3.46Å; L623-D632 PolarHBondContact O-N 2.86Å; S625-D632 VanDerWaalsContact CB-OD1 3.24Å; S625-D632 WeakPolarHBondContact CB-OD1 3.37Å; S625-D632 PolarHBondContact N-OD1 2.88Å; S625-D632 VanDerWaalsContact OG-CG 3.32Å; S625-D632 PolarHBondContact OG-OD1 3.43Å; S625-D632 PolarHBondContact OG-OD2 2.9Å
633	S	90	Very high	94	Very high	84 Å²	84	43.8 Å²	43.8	59%	0.587	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-14.4	-178.6	66.1	0	0	0	0	114.8	Q631	Q631-S633 PolarHBondContact NE2-OG 2.79Å; Q631-S633 PolarHBondContact O-N 2.88Å
634	R	91.5	Very high	94	Very high	98 Å²	98	40.3 Å²	40.3	37%	0.37	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118	-14.6	178.9	-69.5	-170.6	172.8	-166.9	-0.3	113	S598 C619 Q631	S598-R634 PolarHBondContact O-NH1 3.13Å; S598-R634 PolarHBondContact O-NH2 3.47Å; C619-R634 PolarHBondContact SG-NH2 3.03Å; Q631-R634 HydrophobicContact CG-CB 4.15Å; Q631-R634 HydrophobicContact CG-CG 4.17Å; Q631-R634 PolarHBondContact O-N 2.86Å
635	D	96	Very high	94	Very high	12 Å²	12	40 Å²	40	6%	0.064	23%	0.231	C	C	.	.			trans	-73.1	127.8	176.6	-172	-7	0	0	0	111.9	H630 Q631 C637 P638 N642 Q645	H630-D635 HydrophobicContact CB-CB 3.98Å; Q631-D635 PolarHBondContact O-N 2.86Å; D635-C637 VanDerWaalsContact C-N 3.3Å; D635-C637 VanDerWaalsContact OD1-C 3.32Å; D635-C637 WeakPolarHBondContact OD1-CA 3.39Å; D635-C637 PolarHBondContact OD1-N 2.8Å; D635-P638 HydrophobicContact CB-CG 4.31Å; D635-P638 VanDerWaalsContact OD2-CA 3.23Å; D635-P638 WeakPolarHBondContact OD2-CA 3.32Å; D635-N642 PolarHBondContact OD1-OD1 2.86Å; D635-Q645 PolarHBondContact OD1-NE2 3.24Å
636	N	95.9	Very high	94.1	Very high	26 Å²	26	37.8 Å²	37.8	14%	0.139	21%	0.214	C	C	.	.	S	Bend	trans	-78.2	-12.1	174.6	68.4	3.3	0	0	0	113.2	N642 Q645 L646 G654 C657	N636-N642 PolarHBondContact OD1-ND2 2.74Å; N636-Q645 PolarHBondContact ND2-O 3.05Å; N636-Q645 PolarHBondContact OD1-NE2 2.85Å; N636-Q645 PolarHBondContact OD1-OE1 2.84Å; N636-L646 PolarHBondContact ND2-O 3.03Å; N636-G654 VanDerWaalsContact CG-CA 3.46Å; N636-G654 VanDerWaalsContact ND2-CA 3.28Å; N636-G654 WeakPolarHBondContact ND2-CA 3.12Å; N636-G654 PolarHBondContact O-N 2.81Å; N636-C657 PolarHBondContact O-SG 2.71Å
637	C	95.9	Very high	94.1	Very high	3 Å²	3	39 Å²	39	2%	0.02	22%	0.22	C	C	.	.	S	Bend	trans	-136.6	66.4	171.7	-64.7	0	0	0	0	114.1	D635 D639 I640 N642 G654 C657	D635-C637 VanDerWaalsContact C-N 3.3Å; D635-C637 VanDerWaalsContact OD1-C 3.32Å; D635-C637 WeakPolarHBondContact OD1-CA 3.39Å; D635-C637 PolarHBondContact OD1-N 2.8Å; C637-D639 PolarHBondContact O-N 2.9Å; C637-I640 HydrophobicContact CB-CB 4.44Å; C637-I640 PolarHBondContact O-N 3.38Å; C637-N642 WeakPolarHBondContact CB-OD1 3.36Å; C637-N642 PolarHBondContact SG-ND2 3.37Å; C637-N642 VanDerWaalsContact SG-ND2 3.44Å; C637-G654 WeakPolarHBondContact SG-CA 3.29Å; C637-G654 PolarHBondContact SG-N 2.78Å; C637-G654 PolarHBondContact SG-O 3.26Å; C637-C657 WeakPolarHBondContact CA-SG 3.5Å; C637-C657 HydrophobicContact CB-CB 3.73Å; C637-C657 WeakPolarHBondContact CB-SG 3.27Å; C637-C657 WeakPolarHBondContact SG-CB 3.1Å; C637-C657 PolarHBondContact SG-N 2.82Å; C637-C657 CovalentContact SG-SG 2.03Å; C637-C657 PolarHBondContact SG-SG 2.03Å
638	P	95.3	Very high	94.1	Very high	48 Å²	48	40.2 Å²	40.2	31%	0.312	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-9.3	-170.4	-27.5	35.5	0	0	0	119.8	D635	D635-P638 HydrophobicContact CB-CG 4.31Å; D635-P638 VanDerWaalsContact OD2-CA 3.23Å; D635-P638 WeakPolarHBondContact OD2-CA 3.32Å
639	D	93.3	Very high	94	Very high	146 Å²	146	41.9 Å²	41.9	78%	0.781	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.9	-7.3	-178.4	-71.2	-51.7	0	0	0	112.4	C637	C637-D639 PolarHBondContact O-N 2.9Å
640	I	92.6	Very high	94.1	Very high	76 Å²	76	47.1 Å²	47.1	39%	0.39	26%	0.257	S	S	.	.	S	Bend	trans	-132.7	113.6	-172	-60.8	-177.7	0	0	0	109.4	D626 C637 N642 D656 C657	D626-I640 PolarHBondContact OD2-N 3.26Å; D626-I640 VanDerWaalsContact OD2-N 3.09Å; D626-I640 VanDerWaalsContact OD2-O 3.09Å; C637-I640 HydrophobicContact CB-CB 4.44Å; C637-I640 PolarHBondContact O-N 3.38Å; I640-N642 PolarHBondContact O-N 3.04Å; I640-N642 VanDerWaalsContact O-N 3.13Å; I640-N642 PolarHBondContact O-OD1 3.12Å; I640-D656 HydrophobicContact CG2-CB 4.19Å; I640-C657 HydrophobicContact CD1-CB 3.87Å
641	P	94.6	Very high	94	Very high	35 Å²	35	47 Å²	47	23%	0.227	26%	0.258	C	S	.	.			trans	-61	117.8	-172.5	-24.8	32.7	0	0	0	113.1	D626 D628 R907	D626-P641 HydrophobicContact CB-CG 4.01Å; D626-P641 VanDerWaalsContact OD2-CA 3.27Å; D626-P641 WeakPolarHBondContact OD2-CA 2.8Å; D628-P641 HydrophobicContact CB-CB 3.81Å; P641-R907 HydrophobicContact CB-CB 3.95Å; P641-R907 HydrophobicContact CG-CB 4.29Å
642	N	94.9	Very high	94	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.282	C	S	.	.			trans	-147.1	63.8	-178.9	69.8	-35.4	0	0	0	111.6	D628 D635 N636 C637 I640 S644 Q645 D656 N767	D628-N642 PolarHBondContact OD2-N 2.57Å; D628-N642 PolarHBondContact OD2-OD1 2.87Å; D635-N642 PolarHBondContact OD1-OD1 2.86Å; N636-N642 PolarHBondContact OD1-ND2 2.74Å; C637-N642 WeakPolarHBondContact CB-OD1 3.36Å; C637-N642 PolarHBondContact SG-ND2 3.37Å; C637-N642 VanDerWaalsContact SG-ND2 3.44Å; I640-N642 PolarHBondContact O-N 3.04Å; I640-N642 VanDerWaalsContact O-N 3.13Å; I640-N642 PolarHBondContact O-OD1 3.12Å; N642-S644 PolarHBondContact O-N 3.23Å; N642-Q645 PolarHBondContact O-N 2.85Å; N642-Q645 PolarHBondContact O-NE2 3.32Å; N642-Q645 VanDerWaalsContact O-NE2 3.14Å; N642-Q645 PolarHBondContact OD1-NE2 3.4Å; N642-D656 HydrophobicContact CB-CB 3.85Å; N642-D656 WeakPolarHBondContact CB-OD2 3.35Å; N642-N767 WeakPolarHBondContact CA-OD1 3.26Å
643	S	95.1	Very high	94	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.007	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-27.2	179.6	-55.2	0	0	0	0	115.4	D628 H630 Q645 A765 N767 R907 G908 G909	D628-S643 PolarHBondContact O-OG 2.87Å; D628-S643 WeakPolarHBondContact OD2-CA 3.36Å; D628-S643 PolarHBondContact OD2-N 2.79Å; H630-S643 PolarHBondContact NE2-O 3.25Å; S643-Q645 VanDerWaalsContact C-N 3.33Å; S643-A765 WeakPolarHBondContact O-CB 3.47Å; S643-N767 PolarHBondContact N-OD1 3.48Å; S643-R907 PolarHBondContact OG-O 3.19Å; S643-G908 WeakPolarHBondContact OG-CA 3.36Å; S643-G909 VanDerWaalsContact CB-N 3.33Å; S643-G909 PolarHBondContact OG-N 3.21Å; S643-G909 VanDerWaalsContact OG-N 3.17Å
644	S	94.4	Very high	94.3	Very high	26 Å²	26	45.8 Å²	45.8	18%	0.182	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-18.1	175.5	54.7	0	0	0	0	114.5	N642 L646 N767	N642-S644 PolarHBondContact O-N 3.23Å; S644-L646 PolarHBondContact O-N 2.86Å; S644-L646 VanDerWaalsContact O-N 3.15Å; S644-N767 PolarHBondContact N-OD1 2.89Å; S644-N767 VanDerWaalsContact N-OD1 3.09Å; S644-N767 PolarHBondContact OG-ND2 2.77Å; S644-N767 PolarHBondContact OG-OD1 3.28Å
645	Q	95.2	Very high	94.4	Very high	38 Å²	38	42 Å²	42	18%	0.178	24%	0.244	C	C	.	.			trans	50.9	35	178	-63.3	-76.5	-66.5	0	0	113.9	H630 D635 N636 N642 S643 D647	H630-Q645 VanDerWaalsContact CD2-CG 3.44Å; H630-Q645 WeakPolarHBondContact CD2-CG 3.4Å; H630-Q645 VanDerWaalsContact NE2-CG 3.27Å; H630-Q645 WeakPolarHBondContact NE2-CG 3.27Å; D635-Q645 PolarHBondContact OD1-NE2 3.24Å; N636-Q645 PolarHBondContact ND2-O 3.05Å; N636-Q645 PolarHBondContact OD1-NE2 2.85Å; N636-Q645 PolarHBondContact OD1-OE1 2.84Å; N642-Q645 PolarHBondContact O-N 2.85Å; N642-Q645 PolarHBondContact O-NE2 3.32Å; N642-Q645 VanDerWaalsContact O-NE2 3.14Å; N642-Q645 PolarHBondContact OD1-NE2 3.4Å; S643-Q645 VanDerWaalsContact C-N 3.33Å; Q645-D647 PolarHBondContact O-N 2.86Å
646	L	94.3	Very high	94.3	Very high	29 Å²	29	45.2 Å²	45.2	15%	0.152	26%	0.262	C	S	.	.			trans	-62.5	136.4	177.3	-59.7	175.9	0	0	0	110	N636 S644 G654 D655 S712	N636-L646 PolarHBondContact ND2-O 3.03Å; S644-L646 PolarHBondContact O-N 2.86Å; S644-L646 VanDerWaalsContact O-N 3.15Å; L646-G654 CarbonylContact O-C 3.4Å; L646-G654 WeakPolarHBondContact O-CA 3.36Å; L646-D655 HydrophobicContact CB-CB 4.44Å; L646-D655 PolarHBondContact O-N 3.09Å; L646-S712 VanDerWaalsContact CD2-OG 3.27Å; L646-S712 WeakPolarHBondContact CD2-OG 3.34Å
647	D	94.9	Very high	94.2	Very high	35 Å²	35	45.5 Å²	45.5	19%	0.187	27%	0.265	C	S	.	.			trans	-147.2	78.6	-179	177.9	-0.6	0	0	0	107.1	Q645 D649 N650 D651 G652 D655	Q645-D647 PolarHBondContact O-N 2.86Å; D647-D649 VanDerWaalsContact C-N 3.32Å; D647-D649 PolarHBondContact O-N 2.83Å; D647-N650 PolarHBondContact O-N 2.59Å; D647-N650 PolarHBondContact O-ND2 3.15Å; D647-N650 WeakPolarHBondContact OD1-CA 3.49Å; D647-N650 PolarHBondContact OD1-N 2.74Å; D647-D651 PolarHBondContact OD1-N 3.09Å; D647-G652 WeakPolarHBondContact OD2-CA 3.25Å; D647-G652 PolarHBondContact OD2-N 2.93Å; D647-D655 VanDerWaalsContact CA-OD1 3.28Å; D647-D655 WeakPolarHBondContact CA-OD1 3.37Å; D647-D655 PolarHBondContact N-OD1 3.08Å
648	S	93	Very high	94.1	Very high	45 Å²	45	46.4 Å²	46.4	32%	0.315	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-34.3	-165.5	-73.5	0	0	0	0	113.1	D655 D661	S648-D655 PolarHBondContact N-OD1 3.06Å; S648-D655 PolarHBondContact OG-OD2 3.27Å; S648-D661 WeakPolarHBondContact CB-O 3.01Å
649	D	92.2	Very high	94.1	Very high	37 Å²	37	50.8 Å²	50.8	20%	0.198	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-4.7	177.2	66.5	11.3	0	0	0	114.7	D647 D651 D661 N663	D647-D649 VanDerWaalsContact C-N 3.32Å; D647-D649 PolarHBondContact O-N 2.83Å; D649-D651 VanDerWaalsContact C-N 3.29Å; D649-D651 PolarHBondContact O-N 2.8Å; D649-D651 WeakPolarHBondContact OD1-CB 3.38Å; D649-D651 PolarHBondContact OD1-N 3.12Å; D649-D661 VanDerWaalsContact CB-O 3.31Å; D649-D661 WeakPolarHBondContact CB-O 3.44Å; D649-D661 PolarHBondContact N-O 2.85Å; D649-N663 HydrophobicContact CB-CB 4.05Å; D649-N663 VanDerWaalsContact OD2-CB 3.28Å; D649-N663 WeakPolarHBondContact OD2-CB 3.41Å; D649-N663 PolarHBondContact OD2-ND2 3.05Å
650	N	94	Very high	94.2	Very high	134 Å²	134	45.1 Å²	45.1	72%	0.717	26%	0.256	S	S	*	.			trans	59.1	36.4	-178.8	-64.7	-102.8	0	0	0	113.4	D647 G652	D647-N650 PolarHBondContact O-N 2.59Å; D647-N650 PolarHBondContact O-ND2 3.15Å; D647-N650 WeakPolarHBondContact OD1-CA 3.49Å; D647-N650 PolarHBondContact OD1-N 2.74Å; N650-G652 VanDerWaalsContact C-N 3.28Å
651	D	93.7	Very high	94.3	Very high	58 Å²	58	41.7 Å²	41.7	31%	0.31	24%	0.239	S	C	.	.	S	Bend	trans	-71.3	-25.3	175.8	173.5	-66.4	0	0	0	112.4	K68 D647 D649	K68-D651 IonicContact NZ-OD1 3.92Å; K68-D651 PolarHBondContact NZ-OD1 2.79Å; K68-D651 IonicContact NZ-OD2 3.79Å; K68-D651 PolarHBondContact NZ-OD2 3.1Å; D647-D651 PolarHBondContact OD1-N 3.09Å; D649-D651 VanDerWaalsContact C-N 3.29Å; D649-D651 PolarHBondContact O-N 2.8Å; D649-D651 WeakPolarHBondContact OD1-CB 3.38Å; D649-D651 PolarHBondContact OD1-N 3.12Å
652	G	92.8	Very high	94.3	Very high	52 Å²	52	40.3 Å²	40.3	54%	0.536	23%	0.229	S	C	.	.	S	Bend	trans	90	12.6	-170.2	0	0	0	0	0	113.7	D647 N650	D647-G652 WeakPolarHBondContact OD2-CA 3.25Å; D647-G652 PolarHBondContact OD2-N 2.93Å; N650-G652 VanDerWaalsContact C-N 3.28Å
653	L	95.3	Very high	94.3	Very high	63 Å²	63	44.6 Å²	44.6	33%	0.33	25%	0.252	S	S	.	.	S	Bend	trans	-113.6	132.7	169.3	-170.7	66	0	0	0	106.5	C657 D658	L653-C657 WeakPolarHBondContact CD1-SG 3.5Å; L653-D658 HydrophobicContact CD2-CB 4Å; L653-D658 HydrophobicContact CG-CB 4.22Å
654	G	95.4	Very high	94.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.257	C	S	.	.			trans	-78.3	150.5	-178.8	0	0	0	0	0	112.6	N636 C637 L646 D656 C657 D658	N636-G654 VanDerWaalsContact CG-CA 3.46Å; N636-G654 VanDerWaalsContact ND2-CA 3.28Å; N636-G654 WeakPolarHBondContact ND2-CA 3.12Å; N636-G654 PolarHBondContact O-N 2.81Å; C637-G654 WeakPolarHBondContact SG-CA 3.29Å; C637-G654 PolarHBondContact SG-N 2.78Å; C637-G654 PolarHBondContact SG-O 3.26Å; L646-G654 CarbonylContact O-C 3.4Å; L646-G654 WeakPolarHBondContact O-CA 3.36Å; G654-D656 PolarHBondContact O-N 2.82Å; G654-D656 VanDerWaalsContact O-N 3.13Å; G654-C657 CarbonylContact O-C 3.07Å; G654-C657 PolarHBondContact O-N 2.79Å; G654-C657 PolarHBondContact O-SG 2.84Å; G654-D658 PolarHBondContact O-N 3.39Å
655	D	94.3	Very high	94.3	Very high	17 Å²	17	47.3 Å²	47.3	9%	0.091	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-52.6	-39	-176.2	-63.3	6.3	0	0	0	112.3	L646 D647 S648 C657 D658 D661	L646-D655 HydrophobicContact CB-CB 4.44Å; L646-D655 PolarHBondContact O-N 3.09Å; D647-D655 VanDerWaalsContact CA-OD1 3.28Å; D647-D655 WeakPolarHBondContact CA-OD1 3.37Å; D647-D655 PolarHBondContact N-OD1 3.08Å; S648-D655 PolarHBondContact N-OD1 3.06Å; S648-D655 PolarHBondContact OG-OD2 3.27Å; D655-C657 PolarHBondContact O-N 2.88Å; D655-C657 VanDerWaalsContact O-N 3.15Å; D655-D658 PolarHBondContact O-N 3.09Å; D655-D661 WeakPolarHBondContact CA-OD1 3.23Å
656	D	92.4	Very high	94.2	Very high	81 Å²	81	47 Å²	47	43%	0.433	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-65.5	-19.4	179.8	-77.7	-58.6	0	0	0	114.3	I640 N642 G654 N767	I640-D656 HydrophobicContact CG2-CB 4.19Å; N642-D656 HydrophobicContact CB-CB 3.85Å; N642-D656 WeakPolarHBondContact CB-OD2 3.35Å; G654-D656 PolarHBondContact O-N 2.82Å; G654-D656 VanDerWaalsContact O-N 3.13Å; D656-N767 PolarHBondContact OD2-ND2 3.47Å
657	C	94	Very high	94.2	Very high	31 Å²	31	50 Å²	50	21%	0.209	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-121.5	3.2	177.2	69.8	0	0	0	0	114.2	N636 C637 I640 L653 G654 D655	N636-C657 PolarHBondContact O-SG 2.71Å; C637-C657 WeakPolarHBondContact CA-SG 3.5Å; C637-C657 HydrophobicContact CB-CB 3.73Å; C637-C657 WeakPolarHBondContact CB-SG 3.27Å; C637-C657 WeakPolarHBondContact SG-CB 3.1Å; C637-C657 PolarHBondContact SG-N 2.82Å; C637-C657 CovalentContact SG-SG 2.03Å; C637-C657 PolarHBondContact SG-SG 2.03Å; I640-C657 HydrophobicContact CD1-CB 3.87Å; L653-C657 WeakPolarHBondContact CD1-SG 3.5Å; G654-C657 CarbonylContact O-C 3.07Å; G654-C657 PolarHBondContact O-N 2.79Å; G654-C657 PolarHBondContact O-SG 2.84Å; D655-C657 PolarHBondContact O-N 2.88Å; D655-C657 VanDerWaalsContact O-N 3.15Å
658	D	95.5	Very high	94.1	Very high	23 Å²	23	49.7 Å²	49.7	12%	0.123	29%	0.294	C	S	.	.			trans	-84.3	165.3	167.5	-147.2	-34.3	0	0	0	110.7	L653 G654 D655 D660	L653-D658 HydrophobicContact CD2-CB 4Å; L653-D658 HydrophobicContact CG-CB 4.22Å; G654-D658 PolarHBondContact O-N 3.39Å; D655-D658 PolarHBondContact O-N 3.09Å; D658-D660 PolarHBondContact OD1-N 2.82Å; D658-D660 VanDerWaalsContact OD1-N 3.13Å
659	H	94	Very high	93.9	Very high	139 Å²	139	54.6 Å²	54.6	64%	0.644	32%	0.316	S	S	*	.	S	Bend	trans	-123.6	0.4	174.7	-66.2	-27.9	0	0	0	112.1	I667 D668	H659-I667 VanDerWaalsContact O-CA 3.26Å; H659-I667 WeakPolarHBondContact O-CA 3.37Å; H659-I667 WeakPolarHBondContact O-CG2 3.39Å; H659-D668 VanDerWaalsContact C-CG 3.46Å; H659-D668 WeakPolarHBondContact CA-OD2 3.17Å; H659-D668 PolarHBondContact O-N 2.92Å; H659-D668 VanDerWaalsContact O-N 3.13Å
660	D	95.4	Very high	93.8	Very high	28 Å²	28	61.6 Å²	61.6	15%	0.15	34%	0.341	C	S	.	.			trans	-152.2	71.4	-178.2	-171.8	-5.7	0	0	0	108.2	D658 D662 N663 D664 G665 D668	D658-D660 PolarHBondContact OD1-N 2.82Å; D658-D660 VanDerWaalsContact OD1-N 3.13Å; D660-D662 PolarHBondContact O-N 2.81Å; D660-D662 VanDerWaalsContact O-N 3.09Å; D660-N663 PolarHBondContact O-N 3.08Å; D660-N663 VanDerWaalsContact OD1-CA 3.23Å; D660-N663 WeakPolarHBondContact OD1-CA 3.23Å; D660-N663 PolarHBondContact OD1-N 3.42Å; D660-N663 VanDerWaalsContact OD1-N 3.15Å; D660-D664 PolarHBondContact OD1-N 2.77Å; D660-D664 VanDerWaalsContact OD1-N 3.13Å; D660-G665 WeakPolarHBondContact OD2-CA 3.34Å; D660-G665 PolarHBondContact OD2-N 3.17Å; D660-D668 WeakPolarHBondContact CA-OD1 3.49Å; D660-D668 PolarHBondContact N-OD2 2.73Å
661	D	94.8	Very high	93.8	Very high	4 Å²	4	56.1 Å²	56.1	2%	0.021	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-24.1	-168.8	-70.6	-13	0	0	0	114.1	S648 D649 D655 D668 R674 L675	S648-D661 WeakPolarHBondContact CB-O 3.01Å; D649-D661 VanDerWaalsContact CB-O 3.31Å; D649-D661 WeakPolarHBondContact CB-O 3.44Å; D649-D661 PolarHBondContact N-O 2.85Å; D655-D661 WeakPolarHBondContact CA-OD1 3.23Å; D661-D668 PolarHBondContact N-OD1 3.09Å; D661-R674 HydrophobicContact CB-CG 4.09Å; D661-R674 WeakPolarHBondContact OD2-CD 2.96Å; D661-R674 VanDerWaalsContact OD2-CG 3.26Å; D661-R674 WeakPolarHBondContact OD2-CG 3.49Å; D661-R674 IonicContact OD2-CZ 2.82Å; D661-R674 IonicContact OD2-NE 2.84Å; D661-R674 PolarHBondContact OD2-NE 3.28Å; D661-L675 HydrophobicContact CB-CD2 4.1Å
662	D	94.1	Very high	93.7	Very high	5 Å²	5	54.4 Å²	54.4	3%	0.027	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	0.1	179.4	73.6	-0.1	0	0	0	113.8	D660 D664 R674 I676 I677	D660-D662 PolarHBondContact O-N 2.81Å; D660-D662 VanDerWaalsContact O-N 3.09Å; D662-D664 PolarHBondContact O-N 3.08Å; D662-D664 VanDerWaalsContact OD1-CB 3.25Å; D662-D664 WeakPolarHBondContact OD1-CB 3.43Å; D662-D664 PolarHBondContact OD1-N 2.8Å; D662-D664 VanDerWaalsContact OD1-N 3.09Å; D662-R674 WeakPolarHBondContact CB-O 3.48Å; D662-I676 PolarHBondContact OD2-N 3.11Å; D662-I677 HydrophobicContact CB-CG1 4.14Å; D662-I677 VanDerWaalsContact O-CG1 3.26Å; D662-I677 WeakPolarHBondContact O-CG1 3.28Å; D662-I677 WeakPolarHBondContact OD2-CA 3.49Å; D662-I677 PolarHBondContact OD2-N 2.84Å
663	N	95.6	Very high	93.7	Very high	91 Å²	91	51.9 Å²	51.9	49%	0.487	28%	0.277	S	S	.	.			trans	55.1	32	179.3	-110.2	-43.6	0	0	0	113.8	D649 D660 G665	D649-N663 HydrophobicContact CB-CB 4.05Å; D649-N663 VanDerWaalsContact OD2-CB 3.28Å; D649-N663 WeakPolarHBondContact OD2-CB 3.41Å; D649-N663 PolarHBondContact OD2-ND2 3.05Å; D660-N663 PolarHBondContact O-N 3.08Å; D660-N663 VanDerWaalsContact OD1-CA 3.23Å; D660-N663 WeakPolarHBondContact OD1-CA 3.23Å; D660-N663 PolarHBondContact OD1-N 3.42Å; D660-N663 VanDerWaalsContact OD1-N 3.15Å; N663-G665 VanDerWaalsContact C-N 3.34Å
664	D	95.3	Very high	93.6	Very high	20 Å²	20	51.8 Å²	51.8	11%	0.107	27%	0.272	C	S	.	.	S	Bend	trans	-82.8	-13.9	-179.1	102.3	-4.2	0	0	0	113.4	D660 D662 V666 I677 N678 P679	D660-D664 PolarHBondContact OD1-N 2.77Å; D660-D664 VanDerWaalsContact OD1-N 3.13Å; D662-D664 PolarHBondContact O-N 3.08Å; D662-D664 VanDerWaalsContact OD1-CB 3.25Å; D662-D664 WeakPolarHBondContact OD1-CB 3.43Å; D662-D664 PolarHBondContact OD1-N 2.8Å; D662-D664 VanDerWaalsContact OD1-N 3.09Å; D664-V666 WeakPolarHBondContact OD1-CB 3.43Å; D664-V666 WeakPolarHBondContact OD1-CG2 3.36Å; D664-V666 PolarHBondContact OD1-N 3.33Å; D664-I677 HydrophobicContact CB-CB 4.28Å; D664-I677 HydrophobicContact CB-CG1 4.49Å; D664-I677 HydrophobicContact CB-CG2 3.9Å; D664-N678 WeakPolarHBondContact OD2-CA 3.35Å; D664-N678 PolarHBondContact OD2-N 2.69Å; D664-N678 PolarHBondContact OD2-OD1 2.71Å; D664-P679 HydrophobicContact CB-CG 3.91Å; D664-P679 VanDerWaalsContact OD2-CA 3.26Å; D664-P679 WeakPolarHBondContact OD2-CA 2.93Å; D664-P679 WeakPolarHBondContact OD2-CD 3.24Å
665	G	93.8	Very high	93.5	Very high	63 Å²	63	52.7 Å²	52.7	65%	0.649	28%	0.277	S	S	*	.	S	Bend	trans	96	4.1	179.8	0	0	0	0	0	114.8	D660 N663	D660-G665 WeakPolarHBondContact OD2-CA 3.34Å; D660-G665 PolarHBondContact OD2-N 3.17Å; N663-G665 VanDerWaalsContact C-N 3.34Å
666	V	94.5	Very high	93.4	Very high	31 Å²	31	53 Å²	53	19%	0.188	28%	0.278	C	S	.	.	S	Bend	trans	-100.7	135.2	166.8	-179.4	0	0	0	0	108.1	D664 D671 Q681	D664-V666 WeakPolarHBondContact OD1-CB 3.43Å; D664-V666 WeakPolarHBondContact OD1-CG2 3.36Å; D664-V666 PolarHBondContact OD1-N 3.33Å; V666-D671 WeakPolarHBondContact CB-OD2 3.29Å; V666-D671 HydrophobicContact CG1-CB 4Å; V666-Q681 HydrophobicContact CG1-CG 4.36Å; V666-Q681 HydrophobicContact CG2-CG 3.93Å
667	I	93.6	Very high	93.5	Very high	92 Å²	92	54.6 Å²	54.6	47%	0.472	29%	0.286	S	S	.	.			trans	-79.2	141.4	-179.5	-66.4	167.4	0	0	0	108.7	H659 D669 Y670 D671	H659-I667 VanDerWaalsContact O-CA 3.26Å; H659-I667 WeakPolarHBondContact O-CA 3.37Å; H659-I667 WeakPolarHBondContact O-CG2 3.39Å; I667-D669 VanDerWaalsContact C-N 3.26Å; I667-D669 HydrophobicContact CG2-CB 4.4Å; I667-D669 PolarHBondContact O-N 2.85Å; I667-Y670 HydrophobicContact CB-CD2 4.41Å; I667-Y670 CarbonylContact O-C 3.53Å; I667-Y670 WeakPolarHBondContact O-CA 3.39Å; I667-Y670 PolarHBondContact O-N 3.13Å; I667-D671 PolarHBondContact O-N 3.13Å; I667-D671 VanDerWaalsContact O-N 3.13Å
668	D	91.8	Very high	93.5	Very high	30 Å²	30	53.3 Å²	53.3	16%	0.16	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-48.1	-42.3	-173.9	-50.3	-39.2	0	0	0	114.3	H659 D660 D661 Y670 D671 R674	H659-D668 VanDerWaalsContact C-CG 3.46Å; H659-D668 WeakPolarHBondContact CA-OD2 3.17Å; H659-D668 PolarHBondContact O-N 2.92Å; H659-D668 VanDerWaalsContact O-N 3.13Å; D660-D668 WeakPolarHBondContact CA-OD1 3.49Å; D660-D668 PolarHBondContact N-OD2 2.73Å; D661-D668 PolarHBondContact N-OD1 3.09Å; D668-Y670 PolarHBondContact O-N 2.92Å; D668-D671 PolarHBondContact O-N 2.91Å; D668-R674 HydrophobicContact CB-CG 3.89Å
669	D	88.6	Confident	93.5	Very high	147 Å²	147	56.3 Å²	56.3	79%	0.786	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-56.4	-21.7	177.8	-87.6	-19.6	0	0	0	113.8	I667	I667-D669 VanDerWaalsContact C-N 3.26Å; I667-D669 HydrophobicContact CG2-CB 4.4Å; I667-D669 PolarHBondContact O-N 2.85Å
670	Y	91.3	Very high	93.5	Very high	184 Å²	184	55.2 Å²	55.2	72%	0.722	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-120.7	3.1	-178.6	-57.9	-79.5	0	0	0	113	I667 D668 Q681	I667-Y670 HydrophobicContact CB-CD2 4.41Å; I667-Y670 CarbonylContact O-C 3.53Å; I667-Y670 WeakPolarHBondContact O-CA 3.39Å; I667-Y670 PolarHBondContact O-N 3.13Å; D668-Y670 PolarHBondContact O-N 2.92Å; Y670-Q681 PolarHBondContact O-OE1 2.79Å
671	D	93.2	Very high	93.5	Very high	20 Å²	20	56.2 Å²	56.2	11%	0.107	30%	0.3	C	S	.	.			trans	-87.6	131.4	179.2	-151.6	-48.5	0	0	0	111.1	V666 I667 D668 C673 N678 Q681	V666-D671 WeakPolarHBondContact CB-OD2 3.29Å; V666-D671 HydrophobicContact CG1-CB 4Å; I667-D671 PolarHBondContact O-N 3.13Å; I667-D671 VanDerWaalsContact O-N 3.13Å; D668-D671 PolarHBondContact O-N 2.91Å; D671-C673 VanDerWaalsContact OD1-C 3.24Å; D671-C673 WeakPolarHBondContact OD1-CA 3.37Å; D671-C673 PolarHBondContact OD1-N 3.2Å; D671-N678 PolarHBondContact OD1-OD1 3.44Å; D671-Q681 PolarHBondContact OD1-NE2 3.25Å; D671-Q681 PolarHBondContact OD2-NE2 3.29Å
672	N	91.4	Very high	93.5	Very high	21 Å²	21	61.2 Å²	61.2	11%	0.112	32%	0.322	C	S	.	.	S	Bend	trans	-90.1	-6.8	173.9	70.2	-0.3	0	0	0	114.1	N678 Q681 V689 G690 C693	N672-N678 PolarHBondContact OD1-ND2 3.36Å; N672-Q681 VanDerWaalsContact CG-OE1 3.24Å; N672-Q681 PolarHBondContact ND2-O 3.22Å; N672-Q681 PolarHBondContact OD1-OE1 3.49Å; N672-V689 WeakPolarHBondContact O-CA 3.49Å; N672-G690 VanDerWaalsContact CG-CA 3.48Å; N672-G690 WeakPolarHBondContact ND2-CA 3.32Å; N672-G690 PolarHBondContact O-N 3.35Å; N672-C693 PolarHBondContact O-SG 2.66Å
673	C	93.3	Very high	93.4	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.332	C	S	.	.	S	Bend	trans	-141	70.2	170.5	-67.1	0	0	0	0	111.1	D671 L675 I676 N678 G690 C693	D671-C673 VanDerWaalsContact OD1-C 3.24Å; D671-C673 WeakPolarHBondContact OD1-CA 3.37Å; D671-C673 PolarHBondContact OD1-N 3.2Å; C673-L675 PolarHBondContact O-N 3.39Å; C673-I676 HydrophobicContact CB-CB 4.44Å; C673-I676 PolarHBondContact O-N 2.78Å; C673-N678 VanDerWaalsContact CB-ND2 3.33Å; C673-N678 WeakPolarHBondContact CB-ND2 3.38Å; C673-N678 PolarHBondContact SG-ND2 2.94Å; C673-N678 VanDerWaalsContact SG-ND2 3.36Å; C673-G690 WeakPolarHBondContact SG-CA 3.29Å; C673-C693 WeakPolarHBondContact CA-SG 3.28Å; C673-C693 HydrophobicContact CB-CB 3.68Å; C673-C693 WeakPolarHBondContact CB-SG 3.09Å; C673-C693 WeakPolarHBondContact SG-CB 3.33Å; C673-C693 PolarHBondContact SG-N 2.82Å; C673-C693 CovalentContact SG-SG 2.03Å; C673-C693 PolarHBondContact SG-SG 2.74Å
674	R	93.2	Very high	93.3	Very high	61 Å²	61	63.1 Å²	63.1	23%	0.23	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.7	-38.5	-174.1	-164.3	179.4	78.6	-132.5	-2.1	115.9	D661 D662 D668 F697 E711	D661-R674 HydrophobicContact CB-CG 4.09Å; D661-R674 WeakPolarHBondContact OD2-CD 2.96Å; D661-R674 VanDerWaalsContact OD2-CG 3.26Å; D661-R674 WeakPolarHBondContact OD2-CG 3.49Å; D661-R674 IonicContact OD2-CZ 2.82Å; D661-R674 IonicContact OD2-NE 2.84Å; D661-R674 PolarHBondContact OD2-NE 3.28Å; D662-R674 WeakPolarHBondContact CB-O 3.48Å; D668-R674 HydrophobicContact CB-CG 3.89Å; R674-F697 HydrophobicContact CB-CE1 4.4Å; R674-F697 HydrophobicContact CB-CZ 3.88Å; R674-E711 IonicContact CZ-OE2 2.72Å; R674-E711 VanDerWaalsContact CZ-OE2 3.27Å; R674-E711 IonicContact NH1-OE2 2.84Å; R674-E711 PolarHBondContact NH1-OE2 3.38Å; R674-E711 IonicContact NH2-OE2 3.22Å; R674-E711 PolarHBondContact NH2-OE2 2.62Å
675	L	93.6	Very high	92.8	Very high	19 Å²	19	66.4 Å²	66.4	10%	0.099	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	-2.1	-172.9	-49.7	179.6	0	0	0	113.4	D661 C673 F697 D698 E711	D661-L675 HydrophobicContact CB-CD2 4.1Å; C673-L675 PolarHBondContact O-N 3.39Å; L675-F697 HydrophobicContact CD1-CD1 3.73Å; L675-F697 HydrophobicContact CD1-CE1 3.72Å; L675-F697 HydrophobicContact CG-CD1 4.16Å; L675-F697 HydrophobicContact CG-CE1 3.76Å; L675-D698 HydrophobicContact CD1-CB 3.75Å; L675-E711 HydrophobicContact CD1-CB 4.16Å
676	I	93.3	Very high	92.3	Very high	22 Å²	22	67.5 Å²	67.5	11%	0.113	36%	0.359	C	S	.	.	S	Bend	trans	-135.2	109.5	-170.9	-56.9	163.6	0	0	0	111.5	D662 C673 N678 V692 C693 D696 F697 N699	D662-I676 PolarHBondContact OD2-N 3.11Å; C673-I676 HydrophobicContact CB-CB 4.44Å; C673-I676 PolarHBondContact O-N 2.78Å; I676-N678 WeakPolarHBondContact O-CB 3.4Å; I676-N678 PolarHBondContact O-N 2.84Å; I676-V692 HydrophobicContact CG2-CG1 3.61Å; I676-C693 HydrophobicContact CD1-CB 3.6Å; I676-D696 WeakPolarHBondContact CD1-O 3.35Å; I676-F697 WeakPolarHBondContact CD1-O 3.5Å; I676-N699 HydrophobicContact CD1-CB 3.52Å; I676-N699 HydrophobicContact CG1-CB 3.81Å
677	I	93.9	Very high	91.6	Very high	116 Å²	116	69.6 Å²	69.6	60%	0.595	37%	0.369	S	S	*	.			trans	-40.4	106.3	-179	-59.4	172.8	0	0	0	112.5	D662 D664 P679	D662-I677 HydrophobicContact CB-CG1 4.14Å; D662-I677 VanDerWaalsContact O-CG1 3.26Å; D662-I677 WeakPolarHBondContact O-CG1 3.28Å; D662-I677 WeakPolarHBondContact OD2-CA 3.49Å; D662-I677 PolarHBondContact OD2-N 2.84Å; D664-I677 HydrophobicContact CB-CB 4.28Å; D664-I677 HydrophobicContact CB-CG1 4.49Å; D664-I677 HydrophobicContact CB-CG2 3.9Å; I677-P679 HydrophobicContact CG2-CG 4.36Å
678	N	94.4	Very high	91.1	Very high	4 Å²	4	67.5 Å²	67.5	2%	0.021	37%	0.371	C	S	.	.			trans	-145.5	66.3	177.8	74.6	-19.5	0	0	0	114.1	D664 D671 N672 C673 I676 N680 Q681 V692	D664-N678 WeakPolarHBondContact OD2-CA 3.35Å; D664-N678 PolarHBondContact OD2-N 2.69Å; D664-N678 PolarHBondContact OD2-OD1 2.71Å; D671-N678 PolarHBondContact OD1-OD1 3.44Å; N672-N678 PolarHBondContact OD1-ND2 3.36Å; C673-N678 VanDerWaalsContact CB-ND2 3.33Å; C673-N678 WeakPolarHBondContact CB-ND2 3.38Å; C673-N678 PolarHBondContact SG-ND2 2.94Å; C673-N678 VanDerWaalsContact SG-ND2 3.36Å; I676-N678 WeakPolarHBondContact O-CB 3.4Å; I676-N678 PolarHBondContact O-N 2.84Å; N678-N680 PolarHBondContact O-N 2.98Å; N678-Q681 PolarHBondContact O-N 3.46Å; N678-Q681 PolarHBondContact OD1-NE2 2.92Å; N678-V692 HydrophobicContact CB-CB 4.49Å; N678-V692 HydrophobicContact CB-CG2 4.11Å
679	P	95	Very high	90.9	Very high	85 Å²	85	68.6 Å²	68.6	55%	0.552	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-8.5	-169.3	-26	31	0	0	0	116.5	D664 I677	D664-P679 HydrophobicContact CB-CG 3.91Å; D664-P679 VanDerWaalsContact OD2-CA 3.26Å; D664-P679 WeakPolarHBondContact OD2-CA 2.93Å; D664-P679 WeakPolarHBondContact OD2-CD 3.24Å; I677-P679 HydrophobicContact CG2-CG 4.36Å
680	N	94.1	Very high	91	Very high	116 Å²	116	61.6 Å²	61.6	62%	0.62	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	-8.7	177	65.4	31.7	0	0	0	113.8	N678 K682	N678-N680 PolarHBondContact O-N 2.98Å; N680-K682 PolarHBondContact O-N 3.26Å; N680-K682 VanDerWaalsContact O-N 3.15Å; N680-K682 WeakPolarHBondContact OD1-CB 3.35Å; N680-K682 PolarHBondContact OD1-N 3.19Å
681	Q	94.6	Very high	91	Very high	49 Å²	49	54.9 Å²	54.9	23%	0.229	32%	0.317	C	S	.	.			trans	47.9	43.3	177.8	-63.6	-73.2	-51.5	0	0	111.4	V666 Y670 D671 N672 N678 D683	V666-Q681 HydrophobicContact CG1-CG 4.36Å; V666-Q681 HydrophobicContact CG2-CG 3.93Å; Y670-Q681 PolarHBondContact O-OE1 2.79Å; D671-Q681 PolarHBondContact OD1-NE2 3.25Å; D671-Q681 PolarHBondContact OD2-NE2 3.29Å; N672-Q681 VanDerWaalsContact CG-OE1 3.24Å; N672-Q681 PolarHBondContact ND2-O 3.22Å; N672-Q681 PolarHBondContact OD1-OE1 3.49Å; N678-Q681 PolarHBondContact O-N 3.46Å; N678-Q681 PolarHBondContact OD1-NE2 2.92Å; Q681-D683 PolarHBondContact O-N 2.85Å; Q681-D683 VanDerWaalsContact O-N 3.16Å
682	K	95.2	Very high	90.9	Very high	110 Å²	110	57.9 Å²	57.9	48%	0.478	34%	0.336	S	S	.	.			trans	-75.1	108.2	-174.5	-177.8	174.7	175	-81.6	0	109.8	N680 S684 D691	N680-K682 PolarHBondContact O-N 3.26Å; N680-K682 VanDerWaalsContact O-N 3.15Å; N680-K682 WeakPolarHBondContact OD1-CB 3.35Å; N680-K682 PolarHBondContact OD1-N 3.19Å; K682-S684 PolarHBondContact NZ-OG 3.16Å; K682-D691 IonicContact NZ-OD2 2.68Å; K682-D691 PolarHBondContact NZ-OD2 2.96Å; K682-D691 WeakPolarHBondContact O-CB 3.23Å; K682-D691 PolarHBondContact O-N 3.46Å
683	D	92.4	Very high	90.9	Very high	47 Å²	47	57 Å²	57	25%	0.251	33%	0.331	S	S	.	.			trans	-122.3	107.4	171.9	172	-1	0	0	0	108.3	Q681 D685 A686 N687 G688	Q681-D683 PolarHBondContact O-N 2.85Å; Q681-D683 VanDerWaalsContact O-N 3.16Å; D683-D685 PolarHBondContact OD1-N 3.34Å; D683-A686 VanDerWaalsContact OD1-CA 3.23Å; D683-A686 WeakPolarHBondContact OD1-CA 3.11Å; D683-A686 PolarHBondContact OD1-N 2.82Å; D683-A686 VanDerWaalsContact OD2-CA 3.22Å; D683-A686 WeakPolarHBondContact OD2-CA 3.25Å; D683-N687 PolarHBondContact OD2-N 3.43Å; D683-G688 PolarHBondContact OD2-N 3.07Å
684	S	92.4	Very high	90.6	Very high	88 Å²	88	60.4 Å²	60.4	62%	0.615	35%	0.347	S	S	*	.	S	Bend	trans	-82	-27.4	-173.9	-67.1	0	0	0	0	113.4	K682 D691	K682-S684 PolarHBondContact NZ-OG 3.16Å; S684-D691 WeakPolarHBondContact CB-OD1 3.3Å; S684-D691 WeakPolarHBondContact CB-OD2 3.29Å; S684-D691 PolarHBondContact N-OD1 3.45Å; S684-D691 PolarHBondContact OG-OD1 3.3Å; S684-D691 PolarHBondContact OG-OD2 3.02Å
685	D	85.2	Confident	90.2	Very high	90 Å²	90	62.6 Å²	62.6	48%	0.481	36%	0.364	S	S	.	.	S	Bend	trans	-103.8	-6.7	-176.1	82.4	-18.2	0	0	0	113.4	D683 N687	D683-D685 PolarHBondContact OD1-N 3.34Å; D685-N687 VanDerWaalsContact C-N 3.3Å; D685-N687 VanDerWaalsContact CG-ND2 3.31Å; D685-N687 WeakPolarHBondContact OD1-CB 3.4Å; D685-N687 PolarHBondContact OD1-N 3.26Å; D685-N687 VanDerWaalsContact OD1-N 3.08Å; D685-N687 PolarHBondContact OD1-ND2 3.14Å; D685-N687 VanDerWaalsContact OD1-ND2 3.08Å; D685-N687 PolarHBondContact OD2-ND2 3.49Å
686	A	84.1	Confident	90.1	Very high	85 Å²	85	63.2 Å²	63.2	70%	0.702	37%	0.367	S	S	*	.			trans	60.4	34.8	178.9	0	0	0	0	0	113.1	D683 G688	D683-A686 VanDerWaalsContact OD1-CA 3.23Å; D683-A686 WeakPolarHBondContact OD1-CA 3.11Å; D683-A686 PolarHBondContact OD1-N 2.82Å; D683-A686 VanDerWaalsContact OD2-CA 3.22Å; D683-A686 WeakPolarHBondContact OD2-CA 3.25Å; A686-G688 VanDerWaalsContact C-N 3.33Å
687	N	78.4	Confident	90	Very high	75 Å²	75	63.5 Å²	63.5	40%	0.401	37%	0.368	S	S	.	.	S	Bend	trans	-82.9	-11.6	178.5	74.4	22.6	0	0	0	113	D683 D685 V689	D683-N687 PolarHBondContact OD2-N 3.43Å; D685-N687 VanDerWaalsContact C-N 3.3Å; D685-N687 VanDerWaalsContact CG-ND2 3.31Å; D685-N687 WeakPolarHBondContact OD1-CB 3.4Å; D685-N687 PolarHBondContact OD1-N 3.26Å; D685-N687 VanDerWaalsContact OD1-N 3.08Å; D685-N687 PolarHBondContact OD1-ND2 3.14Å; D685-N687 VanDerWaalsContact OD1-ND2 3.08Å; D685-N687 PolarHBondContact OD2-ND2 3.49Å; N687-V689 WeakPolarHBondContact OD1-CA 3.46Å; N687-V689 WeakPolarHBondContact OD1-CB 3.47Å; N687-V689 PolarHBondContact OD1-N 3.4Å; N687-V689 PolarHBondContact OD1-O 2.97Å
688	G	83.3	Confident	89.9	Confident	49 Å²	49	58.5 Å²	58.5	51%	0.505	34%	0.342	S	S	.	.	S	Bend	trans	96.5	-2.8	-179.9	0	0	0	0	0	114.7	D683 A686	D683-G688 PolarHBondContact OD2-N 3.07Å; A686-G688 VanDerWaalsContact C-N 3.33Å
689	V	87.3	Confident	89.7	Confident	52 Å²	52	63.9 Å²	63.9	32%	0.315	37%	0.371	S	S	.	.	S	Bend	trans	-109.3	136.3	171.1	-176.9	0	0	0	0	107.6	N672 N687 C693	N672-V689 WeakPolarHBondContact O-CA 3.49Å; N687-V689 WeakPolarHBondContact OD1-CA 3.46Å; N687-V689 WeakPolarHBondContact OD1-CB 3.47Å; N687-V689 PolarHBondContact OD1-N 3.4Å; N687-V689 PolarHBondContact OD1-O 2.97Å; V689-C693 VanDerWaalsContact CG1-SG 3.57Å
690	G	91.1	Very high	89.6	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	35%	0.352	C	S	.	.			trans	-72.5	151.5	-178.6	0	0	0	0	0	112.6	N672 C673 V692 C693 E694	N672-G690 VanDerWaalsContact CG-CA 3.48Å; N672-G690 WeakPolarHBondContact ND2-CA 3.32Å; N672-G690 PolarHBondContact O-N 3.35Å; C673-G690 WeakPolarHBondContact SG-CA 3.29Å; G690-V692 PolarHBondContact O-N 3.07Å; G690-C693 PolarHBondContact O-N 3.45Å; G690-C693 VanDerWaalsContact O-N 3.14Å; G690-C693 PolarHBondContact O-SG 2.87Å; G690-E694 PolarHBondContact O-N 2.88Å
691	D	90.7	Very high	89.5	Confident	43 Å²	43	60 Å²	60	23%	0.23	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-21.1	-178.3	-68.3	-7.2	0	0	0	113.1	K682 S684	K682-D691 IonicContact NZ-OD2 2.68Å; K682-D691 PolarHBondContact NZ-OD2 2.96Å; K682-D691 WeakPolarHBondContact O-CB 3.23Å; K682-D691 PolarHBondContact O-N 3.46Å; S684-D691 WeakPolarHBondContact CB-OD1 3.3Å; S684-D691 WeakPolarHBondContact CB-OD2 3.29Å; S684-D691 PolarHBondContact N-OD1 3.45Å; S684-D691 PolarHBondContact OG-OD1 3.3Å; S684-D691 PolarHBondContact OG-OD2 3.02Å
692	V	92.3	Very high	89.4	Confident	84 Å²	84	58.9 Å²	58.9	51%	0.509	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-33.1	-175.8	-175.6	0	0	0	0	111.4	I676 N678 G690	I676-V692 HydrophobicContact CG2-CG1 3.61Å; N678-V692 HydrophobicContact CB-CB 4.49Å; N678-V692 HydrophobicContact CB-CG2 4.11Å; G690-V692 PolarHBondContact O-N 3.07Å
693	C	91.1	Very high	89	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.007	36%	0.358	C	S	.	.	S	Bend	trans	-114.9	19.2	-172.4	63	0	0	0	0	112.8	N672 C673 I676 V689 G690 N695 D696 F697	N672-C693 PolarHBondContact O-SG 2.66Å; C673-C693 WeakPolarHBondContact CA-SG 3.28Å; C673-C693 HydrophobicContact CB-CB 3.68Å; C673-C693 WeakPolarHBondContact CB-SG 3.09Å; C673-C693 WeakPolarHBondContact SG-CB 3.33Å; C673-C693 PolarHBondContact SG-N 2.82Å; C673-C693 CovalentContact SG-SG 2.03Å; C673-C693 PolarHBondContact SG-SG 2.74Å; I676-C693 HydrophobicContact CD1-CB 3.6Å; V689-C693 VanDerWaalsContact CG1-SG 3.57Å; G690-C693 PolarHBondContact O-N 3.45Å; G690-C693 VanDerWaalsContact O-N 3.14Å; G690-C693 PolarHBondContact O-SG 2.87Å; C693-N695 VanDerWaalsContact C-N 3.33Å; C693-N695 PolarHBondContact O-N 2.72Å; C693-D696 WeakPolarHBondContact CA-O 3.2Å; C693-F697 HydrophobicContact CB-CD2 4.45Å
694	E	87.1	Confident	88.7	Confident	73 Å²	73	58.1 Å²	58.1	34%	0.341	35%	0.353	S	S	.	.	S	Bend	trans	-68.1	-25.6	-165.1	-170.5	172	-174.7	0	0	114.8	G690	G690-E694 PolarHBondContact O-N 2.88Å
695	N	85.3	Confident	88.2	Confident	107 Å²	107	58.2 Å²	58.2	57%	0.572	35%	0.347	S	S	*	.	S	Bend	trans	-127.3	-1.4	-178.9	-58.4	-77.1	0	0	0	113.8	C693 M703 D704	C693-N695 VanDerWaalsContact C-N 3.33Å; C693-N695 PolarHBondContact O-N 2.72Å; N695-M703 VanDerWaalsContact O-CA 3.31Å; N695-M703 WeakPolarHBondContact O-CA 3.27Å; N695-D704 PolarHBondContact O-N 3.48Å; N695-D704 VanDerWaalsContact O-N 3.14Å
696	D	90.8	Very high	88.2	Confident	32 Å²	32	58.6 Å²	58.6	17%	0.171	35%	0.348	C	S	.	.			trans	-157.1	94	-171.9	178.4	-6.6	0	0	0	105.2	I676 C693 N699 D700 A701 D704	I676-D696 WeakPolarHBondContact CD1-O 3.35Å; C693-D696 WeakPolarHBondContact CA-O 3.2Å; D696-N699 WeakPolarHBondContact OD1-CA 3.04Å; D696-N699 PolarHBondContact OD1-N 2.99Å; D696-D700 PolarHBondContact OD1-N 2.94Å; D696-A701 WeakPolarHBondContact OD2-CA 3.25Å; D696-A701 PolarHBondContact OD2-N 2.74Å; D696-A701 VanDerWaalsContact OD2-N 3.12Å; D696-D704 VanDerWaalsContact CA-OD1 3.27Å; D696-D704 WeakPolarHBondContact CA-OD1 3.46Å; D696-D704 PolarHBondContact N-OD1 3.36Å
697	F	91.1	Very high	88.5	Confident	28 Å²	28	54.9 Å²	54.9	12%	0.123	32%	0.316	C	S	.	.	S	Bend	trans	-79.1	-28.1	-167.1	-175.2	-94.8	0	0	0	113.5	R674 L675 I676 C693 D704 P710 E711	R674-F697 HydrophobicContact CB-CE1 4.4Å; R674-F697 HydrophobicContact CB-CZ 3.88Å; L675-F697 HydrophobicContact CD1-CD1 3.73Å; L675-F697 HydrophobicContact CD1-CE1 3.72Å; L675-F697 HydrophobicContact CG-CD1 4.16Å; L675-F697 HydrophobicContact CG-CE1 3.76Å; I676-F697 WeakPolarHBondContact CD1-O 3.5Å; C693-F697 HydrophobicContact CB-CD2 4.45Å; F697-D704 PolarHBondContact N-OD1 3.39Å; F697-P710 WeakPolarHBondContact CB-O 3.29Å; F697-P710 VanDerWaalsContact CD1-O 3.25Å; F697-P710 WeakPolarHBondContact CD1-O 3.36Å; F697-E711 HydrophobicContact CD1-CB 4.46Å; F697-E711 HydrophobicContact CD1-CG 3.9Å; F697-E711 HydrophobicContact CE1-CG 3.93Å
698	D	91.6	Very high	89.2	Confident	11 Å²	11	51.8 Å²	51.8	6%	0.059	30%	0.299	C	S	.	.	S	Bend	trans	-108.6	-1.2	178.9	55	24	0	0	0	113.5	L675 D700 C709 E711 S712 A713	L675-D698 HydrophobicContact CD1-CB 3.75Å; D698-D700 VanDerWaalsContact C-N 3.34Å; D698-D700 PolarHBondContact O-N 3.37Å; D698-D700 VanDerWaalsContact OD1-CG 3.22Å; D698-D700 PolarHBondContact OD1-N 3.45Å; D698-C709 VanDerWaalsContact OD2-O 3.14Å; D698-E711 PolarHBondContact OD2-N 3.08Å; D698-S712 PolarHBondContact OD2-N 2.87Å; D698-A713 HydrophobicContact CB-CB 4.12Å
699	N	91.9	Very high	89.7	Confident	116 Å²	116	49.5 Å²	49.5	62%	0.62	28%	0.276	S	S	*	.			trans	61.6	39	174.1	178.5	71.3	0	0	0	113	I676 D696 A701	I676-N699 HydrophobicContact CD1-CB 3.52Å; I676-N699 HydrophobicContact CG1-CB 3.81Å; D696-N699 WeakPolarHBondContact OD1-CA 3.04Å; D696-N699 PolarHBondContact OD1-N 2.99Å; N699-A701 VanDerWaalsContact C-N 3.32Å
700	D	92.1	Very high	89.9	Confident	29 Å²	29	47.1 Å²	47.1	16%	0.155	26%	0.262	C	S	.	.	S	Bend	trans	-88.7	2	175.1	77.2	1.4	0	0	0	113.9	D696 D698 V702 A713 T716	D696-D700 PolarHBondContact OD1-N 2.94Å; D698-D700 VanDerWaalsContact C-N 3.34Å; D698-D700 PolarHBondContact O-N 3.37Å; D698-D700 VanDerWaalsContact OD1-CG 3.22Å; D698-D700 PolarHBondContact OD1-N 3.45Å; D700-V702 VanDerWaalsContact C-N 3.27Å; D700-V702 WeakPolarHBondContact OD1-CA 3.1Å; D700-V702 VanDerWaalsContact OD1-CB 3.26Å; D700-V702 WeakPolarHBondContact OD1-CB 3.35Å; D700-V702 PolarHBondContact OD1-N 2.83Å; D700-A713 HydrophobicContact CB-CB 4.22Å; D700-T716 HydrophobicContact CB-CG2 4.2Å; D700-T716 WeakPolarHBondContact OD2-CG2 3.43Å
701	A	91.9	Very high	89.9	Confident	90 Å²	90	50 Å²	50	74%	0.744	28%	0.275	S	S	*	.	S	Bend	trans	72.2	10.7	-176.7	0	0	0	0	0	115.4	D696 N699	D696-A701 WeakPolarHBondContact OD2-CA 3.25Å; D696-A701 PolarHBondContact OD2-N 2.74Å; D696-A701 VanDerWaalsContact OD2-N 3.12Å; N699-A701 VanDerWaalsContact C-N 3.32Å
702	V	91.9	Very high	89.9	Confident	27 Å²	27	48.3 Å²	48.3	16%	0.164	27%	0.266	C	S	.	.	S	Bend	trans	-107.2	135.3	170.9	-175.4	0	0	0	0	108.3	D700 I706 D707 T716	D700-V702 VanDerWaalsContact C-N 3.27Å; D700-V702 WeakPolarHBondContact OD1-CA 3.1Å; D700-V702 VanDerWaalsContact OD1-CB 3.26Å; D700-V702 WeakPolarHBondContact OD1-CB 3.35Å; D700-V702 PolarHBondContact OD1-N 2.83Å; V702-I706 HydrophobicContact CG1-CD1 3.93Å; V702-I706 HydrophobicContact CG1-CG1 3.74Å; V702-D707 HydrophobicContact CB-CB 4.45Å; V702-D707 HydrophobicContact CG1-CB 3.87Å; V702-T716 HydrophobicContact CB-CG2 4.29Å; V702-T716 HydrophobicContact CG2-CG2 3.63Å
703	M	87.5	Confident	89.8	Confident	110 Å²	110	47 Å²	47	54%	0.542	26%	0.264	S	S	.	.			trans	-77.8	140.9	-176.7	-63.1	177.9	-64	0	0	110.2	N695 L705 I706 D707	N695-M703 VanDerWaalsContact O-CA 3.31Å; N695-M703 WeakPolarHBondContact O-CA 3.27Å; M703-L705 PolarHBondContact O-N 2.83Å; M703-I706 HydrophobicContact CB-CG1 4.29Å; M703-I706 HydrophobicContact CE-CD1 4.32Å; M703-I706 VanDerWaalsContact O-CG1 3.26Å; M703-I706 WeakPolarHBondContact O-CG1 3.1Å; M703-I706 PolarHBondContact O-N 3.47Å; M703-D707 WeakPolarHBondContact O-CB 3.32Å; M703-D707 PolarHBondContact O-N 3.18Å
704	D	85.4	Confident	89.7	Confident	30 Å²	30	54.5 Å²	54.5	16%	0.16	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.5	-30.4	179.9	-67.2	7.3	0	0	0	115.1	N695 D696 F697 P710	N695-D704 PolarHBondContact O-N 3.48Å; N695-D704 VanDerWaalsContact O-N 3.14Å; D696-D704 VanDerWaalsContact CA-OD1 3.27Å; D696-D704 WeakPolarHBondContact CA-OD1 3.46Å; D696-D704 PolarHBondContact N-OD1 3.36Å; F697-D704 PolarHBondContact N-OD1 3.39Å; D704-P710 HydrophobicContact CB-CB 4.16Å; D704-P710 HydrophobicContact CB-CG 4.47Å
705	L	81.9	Confident	90	Very high	91 Å²	91	51.7 Å²	51.7	48%	0.476	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-36.6	-178.1	-179.3	63.9	0	0	0	113.1	E433 M703	E433-L705 HydrophobicContact CB-CD1 4.46Å; E433-L705 HydrophobicContact CG-CD1 3.62Å; M703-L705 PolarHBondContact O-N 2.83Å
706	I	85.4	Confident	90.3	Very high	98 Å²	98	48.9 Å²	48.9	50%	0.503	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-17.1	-178.9	57.6	168.5	0	0	0	111.8	V702 M703	V702-I706 HydrophobicContact CG1-CD1 3.93Å; V702-I706 HydrophobicContact CG1-CG1 3.74Å; M703-I706 HydrophobicContact CB-CG1 4.29Å; M703-I706 HydrophobicContact CE-CD1 4.32Å; M703-I706 VanDerWaalsContact O-CG1 3.26Å; M703-I706 WeakPolarHBondContact O-CG1 3.1Å; M703-I706 PolarHBondContact O-N 3.47Å
707	D	91.1	Very high	90.4	Very high	6 Å²	6	51.9 Å²	51.9	3%	0.032	29%	0.289	C	S	.	.			trans	-68.9	133.9	175.7	-173.8	2.6	0	0	0	111.7	V702 M703 C709 P710 T716	V702-D707 HydrophobicContact CB-CB 4.45Å; V702-D707 HydrophobicContact CG1-CB 3.87Å; M703-D707 WeakPolarHBondContact O-CB 3.32Å; M703-D707 PolarHBondContact O-N 3.18Å; D707-C709 PolarHBondContact OD1-N 2.87Å; D707-P710 HydrophobicContact CB-CB 4.5Å; D707-P710 HydrophobicContact CB-CG 4.11Å; D707-P710 WeakPolarHBondContact OD2-CA 3.1Å; D707-T716 VanDerWaalsContact OD1-O 3.11Å
708	V	92.3	Very high	90.5	Very high	10 Å²	10	51 Å²	51	6%	0.061	29%	0.286	C	S	.	.	S	Bend	trans	-77.4	-31.7	178.9	161.1	0	0	0	0	111.5	T716 Y928 R929 C930	V708-T716 PolarHBondContact N-O 3.1Å; V708-Y928 HydrophobicContact CG1-CD2 3.37Å; V708-Y928 HydrophobicContact CG1-CE2 3.61Å; V708-Y928 HydrophobicContact CG1-CG 4.49Å; V708-Y928 WeakPolarHBondContact CG1-O 3.37Å; V708-R929 WeakPolarHBondContact O-CA 3.25Å; V708-R929 WeakPolarHBondContact O-CG 3.21Å; V708-C930 PolarHBondContact O-N 2.87Å; V708-C930 VanDerWaalsContact O-N 3.15Å
709	C	93.4	Very high	90.7	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.007	30%	0.296	C	S	.	.			trans	-138.2	77.7	179.4	-67.3	0	0	0	0	111.5	D698 D707 E711 S712 V715 C930	D698-C709 VanDerWaalsContact OD2-O 3.14Å; D707-C709 PolarHBondContact OD1-N 2.87Å; C709-E711 PolarHBondContact O-N 2.89Å; C709-S712 PolarHBondContact O-N 3.17Å; C709-V715 HydrophobicContact CB-CB 4Å; C709-V715 HydrophobicContact CB-CG1 4.13Å; C709-V715 WeakPolarHBondContact CB-O 3.49Å; C709-C930 HydrophobicContact CB-CB 3.69Å; C709-C930 WeakPolarHBondContact CB-SG 3Å; C709-C930 WeakPolarHBondContact SG-CB 3.31Å; C709-C930 PolarHBondContact SG-N 3.33Å; C709-C930 VanDerWaalsContact SG-N 3.4Å; C709-C930 CovalentContact SG-SG 2.03Å; C709-C930 PolarHBondContact SG-SG 3.06Å
710	P	91.7	Very high	90.8	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.019	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	24.3	-176.2	-10.3	25.7	0	0	0	115.7	R434 F697 D704 D707	R434-P710 PolarHBondContact NH1-O 2.97Å; F697-P710 WeakPolarHBondContact CB-O 3.29Å; F697-P710 VanDerWaalsContact CD1-O 3.25Å; F697-P710 WeakPolarHBondContact CD1-O 3.36Å; D704-P710 HydrophobicContact CB-CB 4.16Å; D704-P710 HydrophobicContact CB-CG 4.47Å; D707-P710 HydrophobicContact CB-CB 4.5Å; D707-P710 HydrophobicContact CB-CG 4.11Å; D707-P710 WeakPolarHBondContact OD2-CA 3.1Å
711	E	90.7	Very high	90.7	Very high	61 Å²	61	53.2 Å²	53.2	29%	0.285	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136	23.9	169.9	-58.8	-172.4	-156.9	0	0	109.2	R434 R674 L675 F697 D698 C709	R434-E711 IonicContact CZ-OE1 3.11Å; R434-E711 VanDerWaalsContact NH1-CG 3.25Å; R434-E711 IonicContact NH1-OE1 2.64Å; R434-E711 PolarHBondContact NH1-OE1 2.76Å; R434-E711 IonicContact NH2-OE1 3.6Å; R434-E711 PolarHBondContact NH2-OE1 3.17Å; R674-E711 IonicContact CZ-OE2 2.72Å; R674-E711 VanDerWaalsContact CZ-OE2 3.27Å; R674-E711 IonicContact NH1-OE2 2.84Å; R674-E711 PolarHBondContact NH1-OE2 3.38Å; R674-E711 IonicContact NH2-OE2 3.22Å; R674-E711 PolarHBondContact NH2-OE2 2.62Å; L675-E711 HydrophobicContact CD1-CB 4.16Å; F697-E711 HydrophobicContact CD1-CB 4.46Å; F697-E711 HydrophobicContact CD1-CG 3.9Å; F697-E711 HydrophobicContact CE1-CG 3.93Å; D698-E711 PolarHBondContact OD2-N 3.08Å; C709-E711 PolarHBondContact O-N 2.89Å
712	S	91.8	Very high	90.5	Very high	6 Å²	6	51.9 Å²	51.9	4%	0.042	28%	0.276	C	S	.	.			trans	-149.6	99.7	-173.7	-178	0	0	0	0	110.2	L646 D698 C709 E714 V715	L646-S712 VanDerWaalsContact CD2-OG 3.27Å; L646-S712 WeakPolarHBondContact CD2-OG 3.34Å; D698-S712 PolarHBondContact OD2-N 2.87Å; C709-S712 PolarHBondContact O-N 3.17Å; S712-E714 PolarHBondContact O-N 3.12Å; S712-V715 PolarHBondContact O-N 3.03Å
713	A	90.1	Very high	90.6	Very high	56 Å²	56	53.7 Å²	53.7	46%	0.463	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-11.7	-177.5	0	0	0	0	0	114.8	D698 D700	D698-A713 HydrophobicContact CB-CB 4.12Å; D700-A713 HydrophobicContact CB-CB 4.22Å
714	E	89.1	Confident	90.8	Very high	160 Å²	160	49.2 Å²	49.2	75%	0.748	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-21.2	178.8	-58	-167.9	160.9	0	0	112.8	S712	S712-E714 PolarHBondContact O-N 3.12Å
715	V	92.1	Very high	91.2	Very high	13 Å²	13	50.7 Å²	50.7	8%	0.079	27%	0.268	C	S	.	.			trans	-124.8	85.9	-166.2	-171.5	0	0	0	0	111.8	C709 S712 T764 F766 Y928	C709-V715 HydrophobicContact CB-CB 4Å; C709-V715 HydrophobicContact CB-CG1 4.13Å; C709-V715 WeakPolarHBondContact CB-O 3.49Å; S712-V715 PolarHBondContact O-N 3.03Å; V715-T764 HydrophobicContact CB-CG2 4.35Å; V715-T764 HydrophobicContact CG1-CG2 3.98Å; V715-T764 HydrophobicContact CG2-CG2 3.35Å; V715-F766 HydrophobicContact CG1-CE1 4.47Å; V715-Y928 HydrophobicContact CG1-CE2 3.91Å
716	T	92.4	Very high	91.7	Very high	49 Å²	49	46.4 Å²	46.4	30%	0.301	25%	0.246	S	C	.	.			trans	-83.9	-41.2	-176.1	54.2	0	0	0	0	114.7	D700 V702 D707 V708	D700-T716 HydrophobicContact CB-CG2 4.2Å; D700-T716 WeakPolarHBondContact OD2-CG2 3.43Å; V702-T716 HydrophobicContact CB-CG2 4.29Å; V702-T716 HydrophobicContact CG2-CG2 3.63Å; D707-T716 VanDerWaalsContact OD1-O 3.11Å; V708-T716 PolarHBondContact N-O 3.1Å
717	L	93.1	Very high	92.1	Very high	94 Å²	94	44.3 Å²	44.3	49%	0.492	24%	0.235	S	C	.	.	S	Bend	trans	-144.6	160.9	-168.9	-68.4	171.7	0	0	0	110.2	D719 Y928	L717-D719 PolarHBondContact O-N 3.2Å; L717-Y928 PolarHBondContact O-OH 3.05Å
718	T	94.1	Very high	92.1	Very high	9 Å²	9	44 Å²	44	6%	0.055	23%	0.233	C	C	.	.			trans	-70.1	114	170.8	-63.5	0	0	0	0	110.3	F720 M747 L926 Y928	T718-F720 HydrophobicContact CG2-CD2 4.13Å; T718-F720 HydrophobicContact CG2-CE2 3.95Å; T718-M747 HydrophobicContact CG2-CG 4.18Å; T718-M747 VanDerWaalsContact O-CG 3.32Å; T718-M747 WeakPolarHBondContact O-CG 3.35Å; T718-L926 HydrophobicContact CG2-CB 4.38Å; T718-L926 WeakPolarHBondContact CG2-O 3.13Å; T718-Y928 HydrophobicContact CG2-CD1 3.71Å; T718-Y928 HydrophobicContact CG2-CE1 3.6Å; T718-Y928 HydrophobicContact CG2-CG 4.41Å; T718-Y928 PolarHBondContact OG1-N 2.92Å
719	D	94.6	Very high	92	Very high	51 Å²	51	43.6 Å²	43.6	27%	0.273	23%	0.231	S	C	.	.			trans	-139.4	123	179.3	-167.3	-10.5	0	0	0	111	L717 R721 Y928	L717-D719 PolarHBondContact O-N 3.2Å; D719-R721 VanDerWaalsContact OD1-CB 3.23Å; D719-R721 WeakPolarHBondContact OD1-CB 3.44Å; D719-R721 VanDerWaalsContact OD1-CG 3.25Å; D719-R721 WeakPolarHBondContact OD1-CG 3.37Å; D719-R721 PolarHBondContact OD1-N 3.37Å; D719-R721 IonicContact OD1-NE 3.26Å; D719-R721 PolarHBondContact OD1-NE 2.91Å; D719-R721 VanDerWaalsContact OD1-NE 3.11Å; D719-R721 IonicContact OD2-CZ 3.35Å; D719-R721 VanDerWaalsContact OD2-CZ 3.26Å; D719-R721 IonicContact OD2-NE 3.87Å; D719-R721 PolarHBondContact OD2-NE 2.92Å; D719-R721 IonicContact OD2-NH2 3.53Å; D719-R721 PolarHBondContact OD2-NH2 3Å; D719-Y928 PolarHBondContact N-OH 3.07Å; D719-Y928 VanDerWaalsContact N-OH 3.15Å
720	F	94.6	Very high	91.5	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.009	25%	0.254	C	S	.	.			trans	-117.1	17.7	172	-71.5	-88.7	0	0	0	112.8	T718 A722 Y723 G746 I749 F771 L911 L926 Y928	T718-F720 HydrophobicContact CG2-CD2 4.13Å; T718-F720 HydrophobicContact CG2-CE2 3.95Å; F720-A722 VanDerWaalsContact C-N 3.31Å; F720-A722 PolarHBondContact O-N 3.46Å; F720-Y723 VanDerWaalsContact O-CD1 3.31Å; F720-Y723 WeakPolarHBondContact O-CD1 3.34Å; F720-G746 WeakPolarHBondContact CB-O 3.34Å; F720-G746 WeakPolarHBondContact CD2-O 3.05Å; F720-G746 PolarHBondContact N-O 2.86Å; F720-I749 HydrophobicContact CB-CD1 3.86Å; F720-I749 HydrophobicContact CB-CG1 4.45Å; F720-I749 HydrophobicContact CD1-CD1 4.43Å; F720-I749 HydrophobicContact CG-CD1 4.14Å; F720-F771 HydrophobicContact CE2-CE2 4.21Å; F720-F771 HydrophobicContact CZ-CE2 4.12Å; F720-F771 HydrophobicContact CZ-CZ 4.22Å; F720-L911 HydrophobicContact CE1-CB 4.24Å; F720-L911 HydrophobicContact CZ-CB 4.08Å; F720-L926 HydrophobicContact CD2-CD1 3.9Å; F720-L926 HydrophobicContact CE2-CB 4.33Å; F720-L926 HydrophobicContact CE2-CD1 4.11Å; F720-Y928 HydrophobicContact CD2-CE1 4.27Å; F720-Y928 AromaticContact CE2-CD1 3.71Å; F720-Y928 HydrophobicContact CE2-CD1 3.71Å; F720-Y928 AromaticContact CE2-CE1 3.59Å; F720-Y928 HydrophobicContact CE2-CE1 3.59Å; F720-Y928 AromaticContact CZ-CD1 3.86Å; F720-Y928 HydrophobicContact CZ-CD1 3.86Å; F720-Y928 AromaticContact CZ-CE1 3.83Å; F720-Y928 HydrophobicContact CZ-CE1 3.83Å
721	R	89.3	Confident	90.7	Very high	150 Å²	150	55 Å²	55	57%	0.566	29%	0.29	S	S	*	.	S	Bend	trans	-61.9	-40	175.9	-70.7	178	-69	174.8	-0.3	112.2	D719 Y723 V742 Q745	D719-R721 VanDerWaalsContact OD1-CB 3.23Å; D719-R721 WeakPolarHBondContact OD1-CB 3.44Å; D719-R721 VanDerWaalsContact OD1-CG 3.25Å; D719-R721 WeakPolarHBondContact OD1-CG 3.37Å; D719-R721 PolarHBondContact OD1-N 3.37Å; D719-R721 IonicContact OD1-NE 3.26Å; D719-R721 PolarHBondContact OD1-NE 2.91Å; D719-R721 VanDerWaalsContact OD1-NE 3.11Å; D719-R721 IonicContact OD2-CZ 3.35Å; D719-R721 VanDerWaalsContact OD2-CZ 3.26Å; D719-R721 IonicContact OD2-NE 3.87Å; D719-R721 PolarHBondContact OD2-NE 2.92Å; D719-R721 IonicContact OD2-NH2 3.53Å; D719-R721 PolarHBondContact OD2-NH2 3Å; R721-Y723 WeakPolarHBondContact O-CD1 3.44Å; R721-V742 HydrophobicContact CG-CG1 4.01Å; R721-Q745 PolarHBondContact NE-O 3.02Å
722	A	88.7	Confident	89.4	Confident	62 Å²	62	52.3 Å²	52.3	51%	0.512	28%	0.279	S	S	.	.	S	Bend	trans	-92.6	114.1	169.5	0	0	0	0	0	109.1	F720 Y763	F720-A722 VanDerWaalsContact C-N 3.31Å; F720-A722 PolarHBondContact O-N 3.46Å; A722-Y763 HydrophobicContact CB-CD2 3.88Å; A722-Y763 HydrophobicContact CB-CE2 4.1Å; A722-Y763 WeakPolarHBondContact O-CD2 3.29Å
723	Y	92.8	Very high	87.8	Confident	65 Å²	65	60.6 Å²	60.6	26%	0.255	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	149.7	179	63.2	-83.6	0	0	0	111.4	F720 R721 T725 W740 V742 A760 V761	F720-Y723 VanDerWaalsContact O-CD1 3.31Å; F720-Y723 WeakPolarHBondContact O-CD1 3.34Å; R721-Y723 WeakPolarHBondContact O-CD1 3.44Å; Y723-T725 WeakPolarHBondContact CE2-OG1 3.46Å; Y723-W740 HydrophobicContact CE2-CB 4Å; Y723-W740 AromaticContact CE2-CD1 3.79Å; Y723-W740 HydrophobicContact CE2-CG 4.05Å; Y723-V742 HydrophobicContact CD1-CG2 4.05Å; Y723-V742 HydrophobicContact CE1-CG2 3.62Å; Y723-A760 HydrophobicContact CD2-CB 3.72Å; Y723-A760 HydrophobicContact CE2-CB 4.23Å; Y723-A760 HydrophobicContact CG-CB 4.34Å; Y723-V761 CarbonylContact C-O 3.5Å; Y723-V761 VanDerWaalsContact CA-O 3.23Å; Y723-V761 WeakPolarHBondContact CA-O 3.22Å; Y723-V761 WeakPolarHBondContact CB-O 3.42Å
724	Q	93.2	Very high	86.4	Confident	16 Å²	16	60.7 Å²	60.7	8%	0.075	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	128.5	168.3	-175.6	-178.1	2.6	0	0	109.1	N612 V726 V761 Y763 R910	N612-Q724 PolarHBondContact O-NE2 2.61Å; Q724-V726 HydrophobicContact CG-CG2 3.98Å; Q724-V761 PolarHBondContact N-O 3.43Å; Q724-V761 PolarHBondContact O-N 3.39Å; Q724-Y763 HydrophobicContact CB-CE1 4.21Å; Q724-R910 VanDerWaalsContact OE1-CZ 3.26Å
725	T	92.2	Very high	85.2	Confident	62 Å²	62	59.9 Å²	59.9	38%	0.38	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	122	168.8	-59.7	0	0	0	0	109	Y723 P738 L759	Y723-T725 WeakPolarHBondContact CE2-OG1 3.46Å; T725-P738 HydrophobicContact CG2-CG 4.48Å; T725-L759 WeakPolarHBondContact CA-O 3.49Å
726	V	94.1	Very high	84.7	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	124.6	179.1	-175.6	0	0	0	0	108.8	N612 Q724 L728 G758 L759 V761 Y792	N612-V726 HydrophobicContact CB-CG1 4.36Å; Q724-V726 HydrophobicContact CG-CG2 3.98Å; V726-L728 HydrophobicContact CG1-CD2 4.16Å; V726-G758 CarbonylContact O-C 3.57Å; V726-G758 VanDerWaalsContact O-CA 3.26Å; V726-G758 WeakPolarHBondContact O-CA 3.44Å; V726-L759 HydrophobicContact CB-CB 4.08Å; V726-L759 HydrophobicContact CB-CD1 4.21Å; V726-L759 HydrophobicContact CB-CG 4.41Å; V726-L759 HydrophobicContact CG1-CD1 4.34Å; V726-L759 PolarHBondContact N-O 2.9Å; V726-L759 PolarHBondContact O-N 2.67Å; V726-V761 HydrophobicContact CG2-CG2 4Å; V726-Y792 HydrophobicContact CG2-CE2 4.44Å; V726-Y792 WeakPolarHBondContact CG2-OH 3.28Å
727	I	92	Very high	84.3	Confident	54 Å²	54	65.2 Å²	65.2	28%	0.277	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	121.1	179.4	-59	166.7	0	0	0	108.3	D737	I727-D737 WeakPolarHBondContact CD1-OD1 3.43Å
728	L	92.3	Very high	84.2	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.32	C	S	.	.	S	Bend	trans	-93.7	-7.5	-173.6	-61.7	172.4	0	0	0	113.8	V726 P757 L759 F798 G836 L839 L843 F914	V726-L728 HydrophobicContact CG1-CD2 4.16Å; L728-P757 HydrophobicContact CB-CB 4.07Å; L728-P757 HydrophobicContact CB-CG 4.07Å; L728-P757 WeakPolarHBondContact CB-O 3.29Å; L728-P757 HydrophobicContact CD1-CB 4.39Å; L728-P757 PolarHBondContact N-O 2.83Å; L728-L759 HydrophobicContact CD1-CD1 4.13Å; L728-L759 HydrophobicContact CD1-CD2 4.11Å; L728-L759 HydrophobicContact CD1-CG 3.93Å; L728-L759 HydrophobicContact CD2-CD1 4.13Å; L728-L759 HydrophobicContact CG-CD1 4.39Å; L728-L759 HydrophobicContact CG-CG 4.33Å; L728-F798 HydrophobicContact CD1-CZ 4.22Å; L728-F798 HydrophobicContact CD2-CE1 4.37Å; L728-F798 HydrophobicContact CD2-CZ 4.39Å; L728-G836 PolarHBondContact O-N 3.22Å; L728-L839 HydrophobicContact CD2-CD2 4.29Å; L728-L843 HydrophobicContact CD1-CD1 3.77Å; L728-F914 HydrophobicContact CD1-CD2 4.5Å; L728-F914 HydrophobicContact CD1-CE2 4.19Å
729	D	89.8	Confident	84.1	Confident	2 Å²	2	63.9 Å²	63.9	1%	0.011	33%	0.333	C	S	.	.			trans	-139.1	73.3	171.7	-172.5	28.8	0	0	0	112.1	E731 G732 P757 R840	D729-E731 PolarHBondContact O-N 3.02Å; D729-G732 PolarHBondContact O-N 2.9Å; D729-G732 VanDerWaalsContact OD2-CA 3.3Å; D729-G732 WeakPolarHBondContact OD2-CA 3.35Å; D729-P757 HydrophobicContact CB-CG 3.96Å; D729-R840 HydrophobicContact CB-CB 4.34Å; D729-R840 HydrophobicContact CB-CG 4.4Å; D729-R840 IonicContact OD1-NH1 3.57Å; D729-R840 WeakPolarHBondContact OD2-CD 3.02Å; D729-R840 IonicContact OD2-CZ 2.67Å; D729-R840 IonicContact OD2-NE 3.54Å; D729-R840 IonicContact OD2-NH1 3.66Å; D729-R840 PolarHBondContact OD2-NH1 3.31Å
730	P	83	Confident	84	Confident	77 Å²	77	62.3 Å²	62.3	50%	0.5	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-17.2	-177.5	26.7	-34.6	0	0	0	114
731	E	74.4	Confident	83.8	Confident	166 Å²	166	64.6 Å²	64.6	78%	0.776	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	5	-179.8	-59.9	-167.7	165.9	0	0	113.6	D729	D729-E731 PolarHBondContact O-N 3.02Å
732	G	63.8	Low	83.9	Confident	5 Å²	5	59.3 Å²	59.3	5%	0.052	32%	0.322	C	S	.	.			trans	-59.5	158.3	-174	0	0	0	0	0	115.1	D729 Q735	D729-G732 PolarHBondContact O-N 2.9Å; D729-G732 VanDerWaalsContact OD2-CA 3.3Å; D729-G732 WeakPolarHBondContact OD2-CA 3.35Å; G732-Q735 WeakPolarHBondContact O-CG 3.37Å
733	E	58.1	Low	84.1	Confident	180 Å²	180	58.3 Å²	58.3	84%	0.841	31%	0.308	S	S	*	.	S	Bend	trans	-86.1	-17.3	178.4	-72	-169.2	161.5	0	0	113.5
734	A	60.8	Low	84.1	Confident	58 Å²	58	56.2 Å²	56.2	48%	0.479	30%	0.301	S	S	.	.	S	Bend	trans	-79.2	-41.3	176.9	0	0	0	0	0	111.1	I736	A734-I736 PolarHBondContact O-N 2.98Å
735	Q	63.7	Low	84	Confident	142 Å²	142	62.3 Å²	62.3	66%	0.664	33%	0.329	S	S	*	.			trans	46	42.1	179.4	-60.1	-165.3	-34.7	0	0	112.9	G732 D756	G732-Q735 WeakPolarHBondContact O-CG 3.37Å; Q735-D756 VanDerWaalsContact CA-OD2 3.25Å; Q735-D756 WeakPolarHBondContact CA-OD2 3.28Å; Q735-D756 PolarHBondContact N-OD2 3.47Å
736	I	82.2	Confident	83.9	Confident	82 Å²	82	59.4 Å²	59.4	42%	0.421	31%	0.311	S	S	.	.			trans	-110.3	108.4	170.9	-58.6	176.2	0	0	0	106	A734 M753 S755 D756	A734-I736 PolarHBondContact O-N 2.98Å; I736-M753 HydrophobicContact CG2-CB 4.2Å; I736-S755 VanDerWaalsContact O-CA 3.27Å; I736-S755 WeakPolarHBondContact O-CA 3.21Å; I736-S755 WeakPolarHBondContact O-CB 3.19Å; I736-D756 PolarHBondContact N-OD2 3.11Å; I736-D756 PolarHBondContact O-N 3.32Å
737	D	84.8	Confident	83.9	Confident	92 Å²	92	61.7 Å²	61.7	49%	0.492	32%	0.323	S	S	.	.			trans	-71.2	148.6	175.5	-64.3	-31.4	0	0	0	110.3	I727 N739	I727-D737 WeakPolarHBondContact CD1-OD1 3.43Å; D737-N739 PolarHBondContact O-N 2.94Å
738	P	90.6	Very high	84.2	Confident	12 Å²	12	59.1 Å²	59.1	8%	0.078	31%	0.309	C	S	.	.			trans	-62.9	134.8	173.9	26.9	-34.8	0	0	0	110.7	T725 W740 Q751	T725-P738 HydrophobicContact CG2-CG 4.48Å; P738-W740 HydrophobicContact CB-CD2 4.34Å; P738-W740 HydrophobicContact CB-CH2 4.38Å; P738-W740 HydrophobicContact CB-CZ2 3.59Å; P738-W740 HydrophobicContact CG-CZ2 3.74Å; P738-Q751 HydrophobicContact CB-CG 4.15Å
739	N	90.7	Very high	84.4	Confident	64 Å²	64	59.1 Å²	59.1	34%	0.342	31%	0.31	S	S	.	.			trans	-98.1	113.8	170	176.8	-95.7	0	0	0	108.7	D737 Q751 T752 M753	D737-N739 PolarHBondContact O-N 2.94Å; N739-Q751 VanDerWaalsContact O-CA 3.32Å; N739-Q751 WeakPolarHBondContact O-CA 3.31Å; N739-T752 WeakPolarHBondContact CB-OG1 3.37Å; N739-T752 PolarHBondContact O-N 3.16Å; N739-T752 PolarHBondContact OD1-OG1 3.26Å; N739-M753 HydrophobicContact CB-CG 3.75Å
740	W	92.4	Very high	84.6	Confident	18 Å²	18	59.6 Å²	59.6	7%	0.068	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	129.6	-179.7	-51.6	104.9	0	0	0	109.9	Y723 P738 I749 Q751 A760 V913 C915 W923	Y723-W740 HydrophobicContact CE2-CB 4Å; Y723-W740 AromaticContact CE2-CD1 3.79Å; Y723-W740 HydrophobicContact CE2-CG 4.05Å; P738-W740 HydrophobicContact CB-CD2 4.34Å; P738-W740 HydrophobicContact CB-CH2 4.38Å; P738-W740 HydrophobicContact CB-CZ2 3.59Å; P738-W740 HydrophobicContact CG-CZ2 3.74Å; W740-I749 HydrophobicContact CE3-CG2 3.85Å; W740-Q751 HydrophobicContact CD2-CG 4.34Å; W740-Q751 HydrophobicContact CE3-CB 3.77Å; W740-Q751 HydrophobicContact CE3-CG 3.81Å; W740-Q751 HydrophobicContact CH2-CG 4.13Å; W740-Q751 HydrophobicContact CZ3-CB 3.7Å; W740-Q751 HydrophobicContact CZ3-CG 3.71Å; W740-A760 HydrophobicContact CD2-CB 3.71Å; W740-A760 HydrophobicContact CE3-CB 4.04Å; W740-A760 HydrophobicContact CG-CB 4.09Å; W740-A760 HydrophobicContact CH2-CB 4.38Å; W740-A760 HydrophobicContact CZ2-CB 4.08Å; W740-A760 HydrophobicContact CZ3-CB 4.35Å; W740-V913 HydrophobicContact CE3-CG2 4.14Å; W740-V913 HydrophobicContact CH2-CG2 4.11Å; W740-V913 HydrophobicContact CZ3-CG2 3.6Å; W740-C915 HydrophobicContact CH2-CB 4.21Å; W740-C915 WeakPolarHBondContact CH2-SG 3.26Å; W740-W923 HydrophobicContact CE3-CZ3 4.32Å; W740-W923 HydrophobicContact CH2-CH2 4.33Å; W740-W923 AromaticContact CZ3-CH2 3.69Å; W740-W923 HydrophobicContact CZ3-CH2 3.69Å; W740-W923 AromaticContact CZ3-CZ3 3.66Å; W740-W923 HydrophobicContact CZ3-CZ3 3.66Å
741	V	91.3	Very high	85.2	Confident	49 Å²	49	56 Å²	56	30%	0.297	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	124.3	173.7	-178.7	0	0	0	0	107.6	L743 I749 V750	V741-L743 HydrophobicContact CG1-CD2 4.22Å; V741-L743 HydrophobicContact CG1-CG 4.31Å; V741-I749 CarbonylContact O-C 3.48Å; V741-I749 WeakPolarHBondContact O-CA 3.4Å; V741-V750 HydrophobicContact CB-CB 4.4Å; V741-V750 PolarHBondContact N-O 3.34Å; V741-V750 PolarHBondContact O-N 3.48Å
742	V	91.9	Very high	86	Confident	39 Å²	39	50.1 Å²	50.1	24%	0.236	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	124.3	-179.5	-175.3	0	0	0	0	109.6	R721 Y723 G746 E748	R721-V742 HydrophobicContact CG-CG1 4.01Å; Y723-V742 HydrophobicContact CD1-CG2 4.05Å; Y723-V742 HydrophobicContact CE1-CG2 3.62Å; V742-G746 VanDerWaalsContact CG1-CA 3.5Å; V742-E748 CarbonylContact C-O 3.59Å; V742-E748 WeakPolarHBondContact CA-O 3.44Å
743	L	92.1	Very high	87.2	Confident	42 Å²	42	54.1 Å²	54.1	22%	0.22	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	177.7	-179.6	-60.2	173.4	0	0	0	109.9	V741 Q745 G746 E748 V750	V741-L743 HydrophobicContact CG1-CD2 4.22Å; V741-L743 HydrophobicContact CG1-CG 4.31Å; L743-Q745 PolarHBondContact O-N 2.65Å; L743-Q745 VanDerWaalsContact O-N 3.07Å; L743-G746 PolarHBondContact O-N 3.32Å; L743-E748 HydrophobicContact CB-CB 4.06Å; L743-E748 HydrophobicContact CB-CG 4.21Å; L743-E748 PolarHBondContact N-O 3.15Å; L743-E748 PolarHBondContact O-N 2.03Å; L743-V750 HydrophobicContact CD1-CG2 4Å
744	N	92.7	Very high	88.8	Confident	20 Å²	20	48.4 Å²	48.4	11%	0.107	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	48.7	41.8	177.3	-166	14.5	0	0	0	113.5	S487 G488 E490 G746 M747 E748	S487-N744 WeakPolarHBondContact CB-ND2 3.39Å; S487-N744 PolarHBondContact O-ND2 2.93Å; S487-N744 PolarHBondContact OG-ND2 2.75Å; G488-N744 VanDerWaalsContact CA-CG 3.44Å; G488-N744 WeakPolarHBondContact CA-OD1 3.36Å; E490-N744 PolarHBondContact OE1-N 3.46Å; N744-G746 PolarHBondContact O-N 3.48Å; N744-G746 VanDerWaalsContact O-N 3.11Å; N744-M747 HydrophobicContact CB-CB 4.28Å; N744-M747 WeakPolarHBondContact O-CE 3.47Å; N744-M747 PolarHBondContact O-N 3.06Å; N744-M747 VanDerWaalsContact O-N 3.08Å; N744-M747 WeakPolarHBondContact OD1-CE 3.46Å; N744-E748 HydrophobicContact CB-CB 3.93Å
745	Q	90.6	Very high	90.2	Very high	145 Å²	145	45.8 Å²	45.8	68%	0.678	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	54.3	31.5	-179.9	-55.1	176.8	-0.4	0	0	114.5	R721 L743	R721-Q745 PolarHBondContact NE-O 3.02Å; L743-Q745 PolarHBondContact O-N 2.65Å; L743-Q745 VanDerWaalsContact O-N 3.07Å
746	G	91	Very high	91.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	102.6	-1.2	180	0	0	0	0	0	114.8	F720 V742 L743 N744	F720-G746 WeakPolarHBondContact CB-O 3.34Å; F720-G746 WeakPolarHBondContact CD2-O 3.05Å; F720-G746 PolarHBondContact N-O 2.86Å; V742-G746 VanDerWaalsContact CG1-CA 3.5Å; L743-G746 PolarHBondContact O-N 3.32Å; N744-G746 PolarHBondContact O-N 3.48Å; N744-G746 VanDerWaalsContact O-N 3.11Å
747	M	94.8	Very high	92	Very high	48 Å²	48	35.6 Å²	35.6	24%	0.236	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96	2.2	177.5	-65.4	179.4	-71.8	0	0	113.3	T718 N744 N925 L926	T718-M747 HydrophobicContact CG2-CG 4.18Å; T718-M747 VanDerWaalsContact O-CG 3.32Å; T718-M747 WeakPolarHBondContact O-CG 3.35Å; N744-M747 HydrophobicContact CB-CB 4.28Å; N744-M747 WeakPolarHBondContact O-CE 3.47Å; N744-M747 PolarHBondContact O-N 3.06Å; N744-M747 VanDerWaalsContact O-N 3.08Å; N744-M747 WeakPolarHBondContact OD1-CE 3.46Å; M747-N925 PolarHBondContact O-N 2.93Å; M747-L926 WeakPolarHBondContact O-CB 2.99Å; M747-L926 PolarHBondContact O-N 3.24Å
748	E	96.8	Very high	92.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	135.2	175.5	-178.1	164	107.8	0	0	110.7	N486 S487 V742 L743 N744 I922 W923 S924	N486-E748 WeakPolarHBondContact CA-OE2 3.36Å; S487-E748 PolarHBondContact N-OE2 2.99Å; S487-E748 PolarHBondContact OG-OE2 2.92Å; V742-E748 CarbonylContact C-O 3.59Å; V742-E748 WeakPolarHBondContact CA-O 3.44Å; L743-E748 HydrophobicContact CB-CB 4.06Å; L743-E748 HydrophobicContact CB-CG 4.21Å; L743-E748 PolarHBondContact N-O 3.15Å; L743-E748 PolarHBondContact O-N 2.03Å; N744-E748 HydrophobicContact CB-CB 3.93Å; E748-I922 HydrophobicContact CG-CG2 4.39Å; E748-W923 CarbonylContact C-O 3.6Å; E748-W923 VanDerWaalsContact CA-O 3.29Å; E748-W923 WeakPolarHBondContact CA-O 3.46Å; E748-S924 WeakPolarHBondContact OE2-CB 3.29Å; E748-S924 PolarHBondContact OE2-OG 3.29Å
749	I	96.6	Very high	92.7	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	132.9	178.3	-55.6	173.9	0	0	0	107.9	F720 W740 V741 V913 W923 L926	F720-I749 HydrophobicContact CB-CD1 3.86Å; F720-I749 HydrophobicContact CB-CG1 4.45Å; F720-I749 HydrophobicContact CD1-CD1 4.43Å; F720-I749 HydrophobicContact CG-CD1 4.14Å; W740-I749 HydrophobicContact CE3-CG2 3.85Å; V741-I749 CarbonylContact O-C 3.48Å; V741-I749 WeakPolarHBondContact O-CA 3.4Å; I749-V913 HydrophobicContact CD1-CG1 4.22Å; I749-V913 HydrophobicContact CD1-CG2 3.94Å; I749-V913 HydrophobicContact CG2-CG2 4.14Å; I749-W923 HydrophobicContact CB-CE3 4.35Å; I749-W923 HydrophobicContact CG2-CE3 4.29Å; I749-W923 PolarHBondContact N-O 2.92Å; I749-W923 PolarHBondContact O-N 3.34Å; I749-L926 HydrophobicContact CD1-CD1 3.85Å; I749-L926 HydrophobicContact CG1-CD1 3.9Å
750	V	95.6	Very high	93	Very high	12 Å²	12	27.6 Å²	27.6	7%	0.073	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	133	174.5	-175.8	0	0	0	0	109.1	V741 L743 T752 I921 I922	V741-V750 HydrophobicContact CB-CB 4.4Å; V741-V750 PolarHBondContact N-O 3.34Å; V741-V750 PolarHBondContact O-N 3.48Å; L743-V750 HydrophobicContact CD1-CG2 4Å; V750-T752 HydrophobicContact CG1-CG2 4.22Å; V750-I921 CarbonylContact C-O 3.59Å; V750-I921 WeakPolarHBondContact CA-O 3.35Å; V750-I922 HydrophobicContact CG1-CG1 4.29Å; V750-I922 HydrophobicContact CG2-CG1 4.24Å; V750-I922 HydrophobicContact CG2-CG2 4.3Å
751	Q	95.1	Very high	93.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	127.1	172.8	-166.6	-73.8	-13.4	0	0	109.4	P738 N739 W740 M753 S755 C915 Q918 N920 I921 W923	P738-Q751 HydrophobicContact CB-CG 4.15Å; N739-Q751 VanDerWaalsContact O-CA 3.32Å; N739-Q751 WeakPolarHBondContact O-CA 3.31Å; W740-Q751 HydrophobicContact CD2-CG 4.34Å; W740-Q751 HydrophobicContact CE3-CB 3.77Å; W740-Q751 HydrophobicContact CE3-CG 3.81Å; W740-Q751 HydrophobicContact CH2-CG 4.13Å; W740-Q751 HydrophobicContact CZ3-CB 3.7Å; W740-Q751 HydrophobicContact CZ3-CG 3.71Å; Q751-M753 VanDerWaalsContact CD-O 3.26Å; Q751-M753 PolarHBondContact NE2-O 3.5Å; Q751-M753 PolarHBondContact OE1-O 3.4Å; Q751-S755 PolarHBondContact NE2-OG 3.3Å; Q751-C915 HydrophobicContact CG-CB 4.46Å; Q751-Q918 PolarHBondContact OE1-O 3.25Å; Q751-Q918 VanDerWaalsContact OE1-O 3.13Å; Q751-N920 CarbonylContact O-C 3.5Å; Q751-N920 WeakPolarHBondContact O-CA 3.1Å; Q751-N920 PolarHBondContact O-N 3.29Å; Q751-I921 PolarHBondContact N-O 2.9Å; Q751-I921 PolarHBondContact O-N 2.85Å; Q751-W923 HydrophobicContact CB-CH2 3.89Å; Q751-W923 HydrophobicContact CB-CZ3 3.54Å
752	T	90.4	Very high	93.5	Very high	43 Å²	43	24.7 Å²	24.7	26%	0.264	13%	0.129	S	C	.	.			trans	-108.3	-14	-165.8	59.6	0	0	0	0	114.8	N739 V750	N739-T752 WeakPolarHBondContact CB-OG1 3.37Å; N739-T752 PolarHBondContact O-N 3.16Å; N739-T752 PolarHBondContact OD1-OG1 3.26Å; V750-T752 HydrophobicContact CG1-CG2 4.22Å
753	M	89.9	Confident	93.5	Very high	90 Å²	90	28.3 Å²	28.3	44%	0.443	14%	0.14	S	C	.	.	S	Bend	trans	-108.3	146.1	-169.8	-69.4	-67	-178	0	0	112.3	I736 N739 Q751 S755	I736-M753 HydrophobicContact CG2-CB 4.2Å; N739-M753 HydrophobicContact CB-CG 3.75Å; Q751-M753 VanDerWaalsContact CD-O 3.26Å; Q751-M753 PolarHBondContact NE2-O 3.5Å; Q751-M753 PolarHBondContact OE1-O 3.4Å; M753-S755 PolarHBondContact O-N 2.97Å
754	N	90.9	Very high	93.6	Very high	59 Å²	59	28.5 Å²	28.5	32%	0.316	14%	0.143	S	C	.	.			trans	-76.9	95.7	162.5	-171.3	-13.4	0	0	0	108.8	D782 S917 E919	N754-D782 PolarHBondContact ND2-OD2 2.79Å; N754-S917 WeakPolarHBondContact OD1-CA 3.34Å; N754-S917 PolarHBondContact OD1-O 2.6Å; N754-S917 VanDerWaalsContact OD1-O 3.08Å; N754-S917 PolarHBondContact OD1-OG 3.44Å; N754-E919 HydrophobicContact CB-CB 4.29Å
755	S	90.6	Very high	93.7	Very high	4 Å²	4	28.5 Å²	28.5	3%	0.028	15%	0.145	C	C	.	.			trans	-112.7	165.3	-165.7	72.6	0	0	0	0	114.3	I736 Q751 M753 S917	I736-S755 VanDerWaalsContact O-CA 3.27Å; I736-S755 WeakPolarHBondContact O-CA 3.21Å; I736-S755 WeakPolarHBondContact O-CB 3.19Å; Q751-S755 PolarHBondContact NE2-OG 3.3Å; M753-S755 PolarHBondContact O-N 2.97Å; S755-S917 VanDerWaalsContact O-CA 3.32Å; S755-S917 WeakPolarHBondContact O-CA 2.99Å; S755-S917 PolarHBondContact O-N 2.99Å
756	D	89.7	Confident	93.9	Very high	9 Å²	9	21.9 Å²	21.9	5%	0.048	11%	0.114	C	C	.	.	S	Bend	trans	-56.8	159.5	162	-75.9	-42.3	0	0	0	111	Q735 I736 G758	Q735-D756 VanDerWaalsContact CA-OD2 3.25Å; Q735-D756 WeakPolarHBondContact CA-OD2 3.28Å; Q735-D756 PolarHBondContact N-OD2 3.47Å; I736-D756 PolarHBondContact N-OD2 3.11Å; I736-D756 PolarHBondContact O-N 3.32Å; D756-G758 PolarHBondContact O-N 3.45Å
757	P	93.3	Very high	93.8	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-61.6	124.7	-179.4	25.6	-34.4	0	0	0	110.4	L728 D729 R840 F914 C915 F916	L728-P757 HydrophobicContact CB-CB 4.07Å; L728-P757 HydrophobicContact CB-CG 4.07Å; L728-P757 WeakPolarHBondContact CB-O 3.29Å; L728-P757 HydrophobicContact CD1-CB 4.39Å; L728-P757 PolarHBondContact N-O 2.83Å; D729-P757 HydrophobicContact CB-CG 3.96Å; P757-R840 HydrophobicContact CG-CG 4.22Å; P757-F914 HydrophobicContact CB-CE2 4.45Å; P757-C915 WeakPolarHBondContact CA-O 3.33Å; P757-F916 HydrophobicContact CB-CB 4.04Å; P757-F916 HydrophobicContact CB-CD1 3.78Å; P757-F916 HydrophobicContact CB-CD2 3.84Å; P757-F916 HydrophobicContact CB-CE1 4.1Å; P757-F916 HydrophobicContact CB-CE2 4.2Å; P757-F916 HydrophobicContact CB-CG 3.64Å; P757-F916 HydrophobicContact CB-CZ 4.32Å; P757-F916 HydrophobicContact CG-CD1 4.43Å; P757-F916 HydrophobicContact CG-CD2 4.17Å; P757-F916 HydrophobicContact CG-CE1 4.28Å; P757-F916 HydrophobicContact CG-CE2 4.05Å; P757-F916 HydrophobicContact CG-CG 4.39Å; P757-F916 HydrophobicContact CG-CZ 4.11Å
758	G	94.4	Very high	93.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	159.8	-176.4	0	0	0	0	0	113.1	V726 D756 C915	V726-G758 CarbonylContact O-C 3.57Å; V726-G758 VanDerWaalsContact O-CA 3.26Å; V726-G758 WeakPolarHBondContact O-CA 3.44Å; D756-G758 PolarHBondContact O-N 3.45Å; G758-C915 PolarHBondContact N-O 2.91Å; G758-C915 PolarHBondContact O-N 2.9Å
759	L	97	Very high	93.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	140.9	179.8	-48	170.9	0	0	0	109.4	T725 V726 L728 V761 I789 Y792 F798 V913 F914	T725-L759 WeakPolarHBondContact CA-O 3.49Å; V726-L759 HydrophobicContact CB-CB 4.08Å; V726-L759 HydrophobicContact CB-CD1 4.21Å; V726-L759 HydrophobicContact CB-CG 4.41Å; V726-L759 HydrophobicContact CG1-CD1 4.34Å; V726-L759 PolarHBondContact N-O 2.9Å; V726-L759 PolarHBondContact O-N 2.67Å; L728-L759 HydrophobicContact CD1-CD1 4.13Å; L728-L759 HydrophobicContact CD1-CD2 4.11Å; L728-L759 HydrophobicContact CD1-CG 3.93Å; L728-L759 HydrophobicContact CD2-CD1 4.13Å; L728-L759 HydrophobicContact CG-CD1 4.39Å; L728-L759 HydrophobicContact CG-CG 4.33Å; L759-V761 HydrophobicContact CB-CG2 3.71Å; L759-V761 HydrophobicContact CD1-CG2 4.44Å; L759-I789 HydrophobicContact CB-CD1 4.29Å; L759-I789 HydrophobicContact CD1-CD1 3.98Å; L759-I789 HydrophobicContact CD2-CD1 4.15Å; L759-I789 HydrophobicContact CD2-CG2 3.72Å; L759-I789 HydrophobicContact CG-CD1 4.38Å; L759-Y792 HydrophobicContact CD1-CD2 4.02Å; L759-Y792 HydrophobicContact CD1-CE2 3.66Å; L759-F798 HydrophobicContact CD1-CE1 4.33Å; L759-F798 HydrophobicContact CD1-CE2 4.41Å; L759-F798 HydrophobicContact CD1-CZ 4.18Å; L759-V913 WeakPolarHBondContact CA-O 3.49Å; L759-F914 HydrophobicContact CD2-CB 3.79Å; L759-F914 HydrophobicContact CD2-CD2 3.47Å; L759-F914 VanDerWaalsContact CD2-CD2 3.47Å; L759-F914 HydrophobicContact CD2-CE2 4.48Å; L759-F914 HydrophobicContact CD2-CG 4.06Å
760	A	96.9	Very high	93.8	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.008	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	111.3	158.1	0	0	0	0	0	107.4	Y723 W740 G912 V913	Y723-A760 HydrophobicContact CD2-CB 3.72Å; Y723-A760 HydrophobicContact CE2-CB 4.23Å; Y723-A760 HydrophobicContact CG-CB 4.34Å; W740-A760 HydrophobicContact CD2-CB 3.71Å; W740-A760 HydrophobicContact CE3-CB 4.04Å; W740-A760 HydrophobicContact CG-CB 4.09Å; W740-A760 HydrophobicContact CH2-CB 4.38Å; W740-A760 HydrophobicContact CZ2-CB 4.08Å; W740-A760 HydrophobicContact CZ3-CB 4.35Å; A760-G912 CarbonylContact O-C 3.52Å; A760-G912 WeakPolarHBondContact O-CA 3.41Å; A760-V913 HydrophobicContact CB-CG2 3.84Å; A760-V913 PolarHBondContact N-O 2.78Å; A760-V913 VanDerWaalsContact N-O 3.14Å; A760-V913 PolarHBondContact O-N 3.14Å
761	V	97.5	Very high	93.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	122.2	-172.1	-166.2	0	0	0	0	109.2	Y723 Q724 V726 L759 I789 Y792 R910 L911	Y723-V761 CarbonylContact C-O 3.5Å; Y723-V761 VanDerWaalsContact CA-O 3.23Å; Y723-V761 WeakPolarHBondContact CA-O 3.22Å; Y723-V761 WeakPolarHBondContact CB-O 3.42Å; Q724-V761 PolarHBondContact N-O 3.43Å; Q724-V761 PolarHBondContact O-N 3.39Å; V726-V761 HydrophobicContact CG2-CG2 4Å; L759-V761 HydrophobicContact CB-CG2 3.71Å; L759-V761 HydrophobicContact CD1-CG2 4.44Å; V761-I789 HydrophobicContact CG1-CD1 4.29Å; V761-I789 HydrophobicContact CG2-CD1 3.67Å; V761-Y792 HydrophobicContact CG1-CD1 3.73Å; V761-Y792 HydrophobicContact CG1-CE1 4.35Å; V761-Y792 HydrophobicContact CG1-CG 3.86Å; V761-Y792 HydrophobicContact CG2-CD1 4.46Å; V761-Y792 HydrophobicContact CG2-CD2 4.24Å; V761-Y792 HydrophobicContact CG2-CE2 4.27Å; V761-Y792 HydrophobicContact CG2-CG 4.33Å; V761-R910 HydrophobicContact CG1-CB 3.72Å; V761-L911 CarbonylContact C-O 3.54Å; V761-L911 WeakPolarHBondContact CA-O 3.33Å; V761-L911 WeakPolarHBondContact CG1-O 3.21Å
762	G	95.4	Very high	94	Very high	5 Å²	5	24.1 Å²	24.1	5%	0.052	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	155.8	171.8	0	0	0	0	0	111.1	R910 L911	G762-R910 WeakPolarHBondContact O-CD 3.48Å; G762-L911 PolarHBondContact N-O 3.46Å
763	Y	92.4	Very high	94.3	Very high	116 Å²	116	22.1 Å²	22.1	46%	0.455	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	-28.7	179.7	-72.1	-77	0	0	0	113.4	L614 A722 Q724 A765 R910	L614-Y763 HydrophobicContact CD1-CD1 4.13Å; L614-Y763 HydrophobicContact CD1-CE1 4.13Å; A722-Y763 HydrophobicContact CB-CD2 3.88Å; A722-Y763 HydrophobicContact CB-CE2 4.1Å; A722-Y763 WeakPolarHBondContact O-CD2 3.29Å; Q724-Y763 HydrophobicContact CB-CE1 4.21Å; Y763-A765 PolarHBondContact O-N 2.95Å; Y763-R910 VanDerWaalsContact O-CD 3.23Å; Y763-R910 WeakPolarHBondContact O-CD 3.13Å
764	T	93.6	Very high	94.7	Very high	46 Å²	46	17.8 Å²	17.8	28%	0.282	9%	0.092	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	128	179.6	-47.6	0	0	0	0	111.5	V715 F766	V715-T764 HydrophobicContact CB-CG2 4.35Å; V715-T764 HydrophobicContact CG1-CG2 3.98Å; V715-T764 HydrophobicContact CG2-CG2 3.35Å; T764-F766 HydrophobicContact CG2-CE1 3.96Å; T764-F766 HydrophobicContact CG2-CE2 3.9Å; T764-F766 HydrophobicContact CG2-CZ 3.5Å; T764-F766 VanDerWaalsContact CG2-CZ 3.5Å; T764-F766 WeakPolarHBondContact O-CE2 3.2Å
765	A	94.6	Very high	94.9	Very high	20 Å²	20	15.3 Å²	15.3	17%	0.165	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	151.9	176	0	0	0	0	0	110.9	S643 Y763 R910	S643-A765 WeakPolarHBondContact O-CB 3.47Å; Y763-A765 PolarHBondContact O-N 2.95Å; A765-R910 HydrophobicContact CB-CG 3.83Å
766	F	95.4	Very high	95.2	Very high	5 Å²	5	15.1 Å²	15.1	2%	0.022	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	143	-174	-56.8	-90.7	0	0	0	111.6	V715 T764 V769 G908 G909 L911 Y928	V715-F766 HydrophobicContact CG1-CE1 4.47Å; T764-F766 HydrophobicContact CG2-CE1 3.96Å; T764-F766 HydrophobicContact CG2-CE2 3.9Å; T764-F766 HydrophobicContact CG2-CZ 3.5Å; T764-F766 VanDerWaalsContact CG2-CZ 3.5Å; T764-F766 WeakPolarHBondContact O-CE2 3.2Å; F766-V769 HydrophobicContact CB-CB 3.88Å; F766-V769 HydrophobicContact CB-CG1 4.32Å; F766-V769 HydrophobicContact CB-CG2 4.35Å; F766-V769 HydrophobicContact CD1-CB 4.39Å; F766-V769 HydrophobicContact CD1-CG2 4.03Å; F766-V769 HydrophobicContact CD2-CG2 4.45Å; F766-V769 HydrophobicContact CE1-CG2 4.49Å; F766-V769 HydrophobicContact CG-CB 4.12Å; F766-V769 HydrophobicContact CG-CG2 4.02Å; F766-G908 CarbonylContact O-C 3.6Å; F766-G908 WeakPolarHBondContact O-CA 3.39Å; F766-G909 PolarHBondContact N-O 3.49Å; F766-G909 PolarHBondContact O-N 2.96Å; F766-L911 HydrophobicContact CD2-CD1 4.04Å; F766-L911 HydrophobicContact CD2-CG 3.84Å; F766-L911 HydrophobicContact CE2-CD1 3.72Å; F766-L911 HydrophobicContact CE2-CG 3.81Å; F766-L911 HydrophobicContact CZ-CD1 4.32Å; F766-Y928 AromaticContact CE1-CD2 3.71Å; F766-Y928 HydrophobicContact CE1-CD2 3.71Å; F766-Y928 AromaticContact CE1-CE2 3.98Å; F766-Y928 HydrophobicContact CE1-CE2 3.98Å; F766-Y928 HydrophobicContact CE1-CG 4.36Å; F766-Y928 HydrophobicContact CZ-CD1 4.27Å; F766-Y928 AromaticContact CZ-CD2 3.47Å; F766-Y928 HydrophobicContact CZ-CD2 3.47Å; F766-Y928 VanDerWaalsContact CZ-CD2 3.47Å; F766-Y928 HydrophobicContact CZ-CE1 4.29Å; F766-Y928 AromaticContact CZ-CE2 3.54Å; F766-Y928 HydrophobicContact CZ-CE2 3.54Å; F766-Y928 AromaticContact CZ-CG 3.87Å; F766-Y928 HydrophobicContact CZ-CG 3.87Å; F766-Y928 AromaticContact CZ-CZ 3.94Å
767	N	90.1	Very high	95.6	Very high	23 Å²	23	14.8 Å²	14.8	12%	0.123	8%	0.076	C	C	.	.	S	Bend	trans	-79.5	-83	167.2	-59.7	-11.5	0	0	0	108	N642 S643 S644 D656 P879	N642-N767 WeakPolarHBondContact CA-OD1 3.26Å; S643-N767 PolarHBondContact N-OD1 3.48Å; S644-N767 PolarHBondContact N-OD1 2.89Å; S644-N767 VanDerWaalsContact N-OD1 3.09Å; S644-N767 PolarHBondContact OG-ND2 2.77Å; S644-N767 PolarHBondContact OG-OD1 3.28Å; D656-N767 PolarHBondContact OD2-ND2 3.47Å; N767-P879 WeakPolarHBondContact O-CD 2.96Å; N767-P879 WeakPolarHBondContact O-CG 3.22Å
768	G	93.8	Very high	95.7	Very high	2 Å²	2	16.2 Å²	16.2	2%	0.021	8%	0.083	C	C	.	.	S	Bend	trans	-96.6	132.7	169.8	0	0	0	0	0	112.9	N931 D932	G768-N931 CarbonylContact C-O 3.56Å; G768-N931 WeakPolarHBondContact CA-O 3.31Å; G768-N931 PolarHBondContact O-N 2.8Å; G768-D932 WeakPolarHBondContact CA-OD1 3.05Å; G768-D932 PolarHBondContact N-OD1 2.87Å
769	V	96.8	Very high	95.6	Very high	3 Å²	3	17 Å²	17	2%	0.018	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	139.6	-177.4	69.2	0	0	0	0	113.1	F766 H877 R878 L911 R929	F766-V769 HydrophobicContact CB-CB 3.88Å; F766-V769 HydrophobicContact CB-CG1 4.32Å; F766-V769 HydrophobicContact CB-CG2 4.35Å; F766-V769 HydrophobicContact CD1-CB 4.39Å; F766-V769 HydrophobicContact CD1-CG2 4.03Å; F766-V769 HydrophobicContact CD2-CG2 4.45Å; F766-V769 HydrophobicContact CE1-CG2 4.49Å; F766-V769 HydrophobicContact CG-CB 4.12Å; F766-V769 HydrophobicContact CG-CG2 4.02Å; V769-H877 HydrophobicContact CG1-CB 4.15Å; V769-H877 PolarHBondContact N-O 3.03Å; V769-H877 PolarHBondContact O-N 3.05Å; V769-R878 PolarHBondContact O-NH1 3.35Å; V769-L911 HydrophobicContact CG1-CD2 4.17Å; V769-L911 HydrophobicContact CG2-CD1 3.97Å; V769-R929 WeakPolarHBondContact CA-O 3.34Å
770	D	96.8	Very high	95.4	Very high	39 Å²	39	21.8 Å²	21.8	21%	0.209	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	122.2	159.8	-68.5	-33.5	0	0	0	108.3	L875 S876 R878 Y928 R929 N931	D770-L875 CarbonylContact C-O 3.57Å; D770-L875 VanDerWaalsContact CA-O 3.25Å; D770-L875 WeakPolarHBondContact CA-O 3.1Å; D770-S876 WeakPolarHBondContact OD1-CA 3.34Å; D770-S876 VanDerWaalsContact OD1-CB 3.27Å; D770-S876 WeakPolarHBondContact OD1-CB 3.41Å; D770-S876 PolarHBondContact OD1-OG 3.26Å; D770-R878 VanDerWaalsContact CG-NH2 3.28Å; D770-R878 IonicContact OD1-CZ 2.73Å; D770-R878 IonicContact OD1-NH1 3.3Å; D770-R878 PolarHBondContact OD1-NH1 2.68Å; D770-R878 IonicContact OD1-NH2 2.82Å; D770-R878 PolarHBondContact OD1-NH2 2.94Å; D770-R878 IonicContact OD2-NH2 3.78Å; D770-R878 PolarHBondContact OD2-NH2 2.85Å; D770-R878 VanDerWaalsContact OD2-NH2 3.1Å; D770-Y928 CarbonylContact O-C 3.58Å; D770-Y928 VanDerWaalsContact O-CA 3.23Å; D770-Y928 WeakPolarHBondContact O-CA 3.4Å; D770-R929 PolarHBondContact N-O 2.78Å; D770-R929 PolarHBondContact O-N 3.48Å; D770-N931 PolarHBondContact OD2-ND2 2.78Å
771	F	97.9	Very high	95.2	Very high	1 Å²	1	24.7 Å²	24.7	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	124.6	-177.8	178	-135.1	0	0	0	110.4	F720 F788 W873 L875 L911 L926 R927	F720-F771 HydrophobicContact CE2-CE2 4.21Å; F720-F771 HydrophobicContact CZ-CE2 4.12Å; F720-F771 HydrophobicContact CZ-CZ 4.22Å; F771-F788 AromaticContact CD1-CD2 3.97Å; F771-F788 HydrophobicContact CD1-CD2 3.97Å; F771-F788 HydrophobicContact CD1-CE2 4.35Å; F771-F788 HydrophobicContact CE1-CB 4.12Å; F771-F788 AromaticContact CE1-CD2 3.91Å; F771-F788 HydrophobicContact CE1-CD2 3.91Å; F771-F788 HydrophobicContact CE1-CG 4.17Å; F771-W873 AromaticContact CD1-NE1 3.86Å; F771-W873 HydrophobicContact CE1-CZ2 4.04Å; F771-W873 AromaticContact CE1-NE1 3.92Å; F771-W873 HydrophobicContact CE2-CZ2 4.5Å; F771-W873 AromaticContact CZ-CZ2 3.88Å; F771-W873 HydrophobicContact CZ-CZ2 3.88Å; F771-L875 HydrophobicContact CB-CB 4.26Å; F771-L875 HydrophobicContact CB-CD2 4.13Å; F771-L875 PolarHBondContact N-O 2.84Å; F771-L875 WeakPolarHBondContact O-CA 3.38Å; F771-L875 VanDerWaalsContact O-CB 3.3Å; F771-L875 WeakPolarHBondContact O-CB 3.41Å; F771-L875 PolarHBondContact O-N 2.73Å; F771-L911 HydrophobicContact CB-CD1 4.04Å; F771-L911 HydrophobicContact CB-CD2 4.42Å; F771-L911 HydrophobicContact CD1-CD1 4.33Å; F771-L911 HydrophobicContact CD1-CD2 4.22Å; F771-L911 HydrophobicContact CD2-CD1 3.92Å; F771-L911 HydrophobicContact CE2-CD1 4.46Å; F771-L911 HydrophobicContact CG-CD1 3.85Å; F771-L911 HydrophobicContact CG-CD2 4.4Å; F771-L926 HydrophobicContact CE2-CD2 4.11Å; F771-L926 HydrophobicContact CZ-CD2 3.97Å; F771-R927 WeakPolarHBondContact CD2-O 3.45Å
772	E	96.8	Very high	94.8	Very high	41 Å²	41	27.2 Å²	27.2	19%	0.192	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	158.4	-179.7	59.5	172.1	-153.4	0	0	111.2	R872 W873 Q874 R927	E772-R872 VanDerWaalsContact CD-NH2 3.27Å; E772-R872 IonicContact OE1-CZ 3.34Å; E772-R872 IonicContact OE1-NH2 2.95Å; E772-R872 PolarHBondContact OE1-NH2 2.81Å; E772-R872 IonicContact OE2-NH2 2.62Å; E772-W873 VanDerWaalsContact CA-O 3.28Å; E772-W873 WeakPolarHBondContact CA-O 3.46Å; E772-W873 WeakPolarHBondContact CB-O 3.33Å; E772-Q874 HydrophobicContact CB-CG 4.09Å; E772-Q874 PolarHBondContact OE2-NE2 3.07Å; E772-R927 HydrophobicContact CG-CB 3.99Å; E772-R927 PolarHBondContact N-O 2.77Å; E772-R927 PolarHBondContact O-N 2.68Å; E772-R927 VanDerWaalsContact O-O 3.12Å
773	G	97.3	Very high	94.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.4	171.6	-179.1	0	0	0	0	0	111.1	R872 W873	G773-R872 CarbonylContact O-C 3.5Å; G773-R872 WeakPolarHBondContact O-CA 3.13Å; G773-W873 VanDerWaalsContact C-CZ3 3.48Å; G773-W873 PolarHBondContact N-O 2.82Å; G773-W873 PolarHBondContact O-N 2.91Å
774	T	97.6	Very high	94.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	118.3	-177.4	-63.1	0	0	0	0	109.5	D458 I459 P485 Y871 R872 W923 S924	D458-T774 VanDerWaalsContact O-CG2 3.3Å; D458-T774 WeakPolarHBondContact O-CG2 3.11Å; I459-T774 HydrophobicContact CB-CG2 4.04Å; I459-T774 WeakPolarHBondContact O-CB 3.46Å; I459-T774 PolarHBondContact O-OG1 3.09Å; P485-T774 HydrophobicContact CG-CG2 4.24Å; T774-Y871 CarbonylContact C-O 3.5Å; T774-Y871 WeakPolarHBondContact CA-O 3.28Å; T774-R872 PolarHBondContact OG1-NH1 3Å; T774-R872 VanDerWaalsContact OG1-NH1 3.13Å; T774-W923 CarbonylContact O-C 3.59Å; T774-W923 VanDerWaalsContact O-CA 3.3Å; T774-W923 WeakPolarHBondContact O-CA 3.38Å; T774-S924 WeakPolarHBondContact CB-O 3.34Å; T774-S924 PolarHBondContact N-O 2.89Å; T774-S924 PolarHBondContact O-N 2.04Å
775	F	96.4	Very high	94.9	Very high	6 Å²	6	21.2 Å²	21.2	3%	0.026	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	124.1	177.6	170	-108.4	0	0	0	109.8	V777 A786 W803 W865 Y871 W873 I921	F775-V777 HydrophobicContact CE1-CG2 4.24Å; F775-V777 HydrophobicContact CE2-CG2 3.9Å; F775-V777 HydrophobicContact CZ-CG2 3.49Å; F775-V777 VanDerWaalsContact CZ-CG2 3.49Å; F775-A786 HydrophobicContact CE2-CB 3.46Å; F775-A786 VanDerWaalsContact CE2-CB 3.46Å; F775-A786 HydrophobicContact CZ-CB 3.92Å; F775-W803 HydrophobicContact CD1-CE3 4.06Å; F775-W803 HydrophobicContact CD1-CZ3 4.2Å; F775-W803 AromaticContact CE1-CE3 3.86Å; F775-W803 HydrophobicContact CE1-CE3 3.86Å; F775-W803 HydrophobicContact CE1-CZ3 4.24Å; F775-W865 HydrophobicContact CE1-CB 3.9Å; F775-W865 HydrophobicContact CE1-CG 4.01Å; F775-W865 HydrophobicContact CZ-CG 4.26Å; F775-Y871 AromaticContact CD1-CD2 3.87Å; F775-Y871 HydrophobicContact CD1-CD2 3.87Å; F775-Y871 HydrophobicContact CD1-CG 4.48Å; F775-Y871 HydrophobicContact CE1-CD2 4.33Å; F775-Y871 PolarHBondContact N-O 2.63Å; F775-Y871 PolarHBondContact O-N 2.97Å; F775-W873 HydrophobicContact CB-CE3 3.82Å; F775-W873 HydrophobicContact CB-CZ3 3.75Å; F775-I921 HydrophobicContact CD2-CG2 4.19Å; F775-I921 HydrophobicContact CE2-CG2 3.82Å
776	H	96.9	Very high	95.1	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.005	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	135.7	177.1	-176.2	107	0	0	0	110.5	P485 K868 S870 I922	P485-H776 HydrophobicContact CG-CB 3.73Å; H776-K868 VanDerWaalsContact CE1-C 3.41Å; H776-S870 PolarHBondContact ND1-OG 3.31Å; H776-I922 HydrophobicContact CB-CB 4.38Å; H776-I922 PolarHBondContact N-O 3.4Å; H776-I922 PolarHBondContact O-N 3.14Å
777	V	97	Very high	95.1	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.006	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	107.3	172.9	-179.1	0	0	0	0	107.9	F775 T779 W865 K868 Q918	F775-V777 HydrophobicContact CE1-CG2 4.24Å; F775-V777 HydrophobicContact CE2-CG2 3.9Å; F775-V777 HydrophobicContact CZ-CG2 3.49Å; F775-V777 VanDerWaalsContact CZ-CG2 3.49Å; V777-T779 HydrophobicContact CG1-CG2 3.85Å; V777-T779 PolarHBondContact O-N 3.25Å; V777-T779 VanDerWaalsContact O-N 3.07Å; V777-W865 HydrophobicContact CB-CE3 4.36Å; V777-W865 HydrophobicContact CB-CZ3 4.12Å; V777-W865 HydrophobicContact CG1-CH2 4.13Å; V777-W865 HydrophobicContact CG1-CZ3 4.07Å; V777-W865 HydrophobicContact CG2-CD2 4.38Å; V777-W865 HydrophobicContact CG2-CE3 4.22Å; V777-W865 HydrophobicContact CG2-CH2 4.42Å; V777-W865 HydrophobicContact CG2-CZ3 4.25Å; V777-K868 WeakPolarHBondContact O-CA 3.29Å; V777-K868 PolarHBondContact O-N 3.5Å; V777-Q918 HydrophobicContact CG1-CG 4.49Å
778	N	95	Very high	95.5	Very high	31 Å²	31	19.3 Å²	19.3	17%	0.166	11%	0.11	C	C	.	.			trans	-84.6	29.9	-172	-168.3	14.4	0	0	0	113	T484 K868 N920 I922	T484-N778 WeakPolarHBondContact CG2-ND2 3.42Å; N778-K868 PolarHBondContact O-NZ 2.69Å; N778-K868 PolarHBondContact OD1-NZ 2.94Å; N778-N920 PolarHBondContact N-O 3Å; N778-I922 HydrophobicContact CB-CD1 3.91Å
779	T	93.3	Very high	95.8	Very high	17 Å²	17	19.2 Å²	19.2	10%	0.104	11%	0.11	C	C	.	.			trans	-138.9	165.9	176	-170.2	0	0	0	0	111	V777 T781 E919 N920	V777-T779 HydrophobicContact CG1-CG2 3.85Å; V777-T779 PolarHBondContact O-N 3.25Å; V777-T779 VanDerWaalsContact O-N 3.07Å; T779-T781 VanDerWaalsContact CG2-O 3.25Å; T779-T781 WeakPolarHBondContact CG2-O 2.96Å; T779-T781 WeakPolarHBondContact CG2-OG1 3.05Å; T779-T781 PolarHBondContact OG1-N 3.45Å; T779-T781 VanDerWaalsContact OG1-N 3.08Å; T779-T781 PolarHBondContact OG1-OG1 2.87Å; T779-E919 HydrophobicContact CG2-CG 4.26Å; T779-N920 HydrophobicContact CG2-CB 4.08Å
780	V	93.2	Very high	95.8	Very high	99 Å²	99	19.1 Å²	19.1	60%	0.6	11%	0.109	S	C	*	.	S	Bend	trans	-108.3	4.9	169.2	-60.6	0	0	0	0	110.9	D867	V780-D867 HydrophobicContact CG1-CB 3.98Å
781	T	91.1	Very high	95.9	Very high	62 Å²	62	17.3 Å²	17.3	38%	0.38	10%	0.1	S	C	.	.	S	Bend	trans	-95.3	144.1	177.4	54.4	0	0	0	0	109.7	T779 Q918 E919	T779-T781 VanDerWaalsContact CG2-O 3.25Å; T779-T781 WeakPolarHBondContact CG2-O 2.96Å; T779-T781 WeakPolarHBondContact CG2-OG1 3.05Å; T779-T781 PolarHBondContact OG1-N 3.45Å; T779-T781 VanDerWaalsContact OG1-N 3.08Å; T779-T781 PolarHBondContact OG1-OG1 2.87Å; T781-Q918 PolarHBondContact O-NE2 3.26Å; T781-E919 WeakPolarHBondContact CB-OE1 3.35Å; T781-E919 PolarHBondContact OG1-OE1 3.18Å
782	D	90.6	Very high	95.9	Very high	53 Å²	53	17.3 Å²	17.3	28%	0.283	10%	0.1	S	C	.	.			trans	64.6	168.1	-175.4	-130.2	-40.4	0	0	0	115	N754	N754-D782 PolarHBondContact ND2-OD2 2.79Å
783	D	92.3	Very high	95.8	Very high	38 Å²	38	16 Å²	16	20%	0.203	9%	0.093	C	C	.	.			trans	-146.6	24.4	-176.2	67.6	22.6	0	0	0	113.6	K804 Q805 T806 Q808	D783-K804 WeakPolarHBondContact O-CG 3.04Å; D783-K804 PolarHBondContact O-NZ 3.22Å; D783-K804 IonicContact OD1-NZ 3.9Å; D783-K804 PolarHBondContact OD1-NZ 2.95Å; D783-Q805 HydrophobicContact CB-CB 3.98Å; D783-Q805 HydrophobicContact CB-CG 4.29Å; D783-Q805 PolarHBondContact O-N 2.93Å; D783-T806 HydrophobicContact CB-CG2 3.91Å; D783-T806 PolarHBondContact OD1-OG1 2.91Å; D783-T806 WeakPolarHBondContact OD2-CB 3.39Å; D783-T806 WeakPolarHBondContact OD2-CG2 3.49Å; D783-T806 PolarHBondContact OD2-OG1 2.78Å; D783-Q808 PolarHBondContact OD1-OE1 3.41Å
784	D	94.8	Very high	95.8	Very high	3 Å²	3	16.7 Å²	16.7	2%	0.016	10%	0.097	C	C	.	.			trans	-92.2	-161.7	-163.8	-86.7	-22.5	0	0	0	113.4	K804 Q808 W844 W865 S917 Q918	D784-K804 IonicContact OD1-NZ 3.02Å; D784-K804 PolarHBondContact OD1-NZ 2.96Å; D784-Q808 PolarHBondContact OD1-OE1 3.5Å; D784-W844 WeakPolarHBondContact OD1-CH2 3.35Å; D784-W865 WeakPolarHBondContact O-CZ2 3.48Å; D784-W865 PolarHBondContact O-NE1 2.87Å; D784-S917 WeakPolarHBondContact CB-O 3.05Å; D784-S917 WeakPolarHBondContact OD2-CB 3.34Å; D784-S917 PolarHBondContact OD2-OG 3.48Å; D784-Q918 HydrophobicContact CB-CB 4.06Å; D784-Q918 VanDerWaalsContact N-OE1 3.08Å
785	Y	96.3	Very high	95.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	134.9	-166.4	-87.8	-67.1	0	0	0	112.5	M802 K804 A820 Q825 W844 F916	Y785-M802 HydrophobicContact CD1-CB 3.88Å; Y785-M802 HydrophobicContact CD1-CG 4.03Å; Y785-M802 HydrophobicContact CD1-SD 4.05Å; Y785-M802 HydrophobicContact CE1-CB 4.22Å; Y785-M802 HydrophobicContact CE1-CG 3.85Å; Y785-M802 HydrophobicContact CE1-SD 3.75Å; Y785-K804 HydrophobicContact CD1-CB 3.73Å; Y785-K804 HydrophobicContact CD2-CB 4.42Å; Y785-K804 HydrophobicContact CD2-CD 4.18Å; Y785-K804 HydrophobicContact CE1-CB 3.55Å; Y785-K804 HydrophobicContact CE2-CB 4.27Å; Y785-K804 HydrophobicContact CE2-CD 3.91Å; Y785-K804 HydrophobicContact CG-CB 4.17Å; Y785-A820 HydrophobicContact CE2-CB 3.64Å; Y785-A820 WeakPolarHBondContact OH-CB 3.39Å; Y785-Q825 PolarHBondContact OH-NE2 3.44Å; Y785-Q825 VanDerWaalsContact OH-NE2 3.17Å; Y785-W844 HydrophobicContact CD2-CD2 4.37Å; Y785-W844 HydrophobicContact CD2-CE3 4.11Å; Y785-W844 HydrophobicContact CD2-CZ3 4.46Å; Y785-W844 HydrophobicContact CE2-CD2 4.22Å; Y785-W844 HydrophobicContact CE2-CE3 4.42Å; Y785-W844 HydrophobicContact CE2-CG 4.37Å; Y785-W844 PolarHBondContact OH-O 2.79Å; Y785-F916 PolarHBondContact N-O 3.31Å; Y785-F916 VanDerWaalsContact N-O 3.15Å; Y785-F916 PolarHBondContact O-N 3.4Å
786	A	97	Very high	95.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	161.1	166.9	0	0	0	0	0	110.4	F775 W803 F914 I921	F775-A786 HydrophobicContact CE2-CB 3.46Å; F775-A786 VanDerWaalsContact CE2-CB 3.46Å; F775-A786 HydrophobicContact CZ-CB 3.92Å; A786-W803 PolarHBondContact N-O 2.79Å; A786-W803 PolarHBondContact O-N 2.86Å; A786-F914 CarbonylContact C-O 3.58Å; A786-F914 WeakPolarHBondContact CA-O 3.29Å; A786-I921 HydrophobicContact CB-CD1 3.61Å; A786-I921 HydrophobicContact CB-CG1 4.1Å; A786-I921 HydrophobicContact CB-CG2 4.11Å
787	G	97.1	Very high	95.6	Very high	8 Å²	8	17.2 Å²	17.2	8%	0.082	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.7	-151	177.9	0	0	0	0	0	113.1	V801 F914 W923	G787-V801 CarbonylContact C-O 3.4Å; G787-V801 VanDerWaalsContact CA-O 3.22Å; G787-V801 WeakPolarHBondContact CA-O 3.43Å; G787-F914 PolarHBondContact N-O 2.82Å; G787-F914 PolarHBondContact O-N 3.42Å; G787-W923 PolarHBondContact O-NE1 2.96Å
788	F	98.4	Very high	95.7	Very high	1 Å²	1	17.1 Å²	17.1	0%	0.004	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	161.5	-177.5	65.4	-92.5	0	0	0	111.1	F771 F790 V801 W873 L875 V886 F888 G912	F771-F788 AromaticContact CD1-CD2 3.97Å; F771-F788 HydrophobicContact CD1-CD2 3.97Å; F771-F788 HydrophobicContact CD1-CE2 4.35Å; F771-F788 HydrophobicContact CE1-CB 4.12Å; F771-F788 AromaticContact CE1-CD2 3.91Å; F771-F788 HydrophobicContact CE1-CD2 3.91Å; F771-F788 HydrophobicContact CE1-CG 4.17Å; F788-F790 HydrophobicContact CE2-CD1 4.21Å; F788-V801 HydrophobicContact CD1-CB 4.19Å; F788-V801 HydrophobicContact CD1-CG1 4.49Å; F788-V801 HydrophobicContact CD2-CB 4.42Å; F788-V801 HydrophobicContact CE1-CB 3.77Å; F788-V801 HydrophobicContact CE1-CG1 3.83Å; F788-V801 HydrophobicContact CE1-CG2 4.23Å; F788-V801 HydrophobicContact CE2-CB 4.01Å; F788-V801 HydrophobicContact CE2-CG2 3.78Å; F788-V801 HydrophobicContact CG-CB 4.5Å; F788-V801 HydrophobicContact CZ-CB 3.68Å; F788-V801 HydrophobicContact CZ-CG1 4.01Å; F788-V801 HydrophobicContact CZ-CG2 3.61Å; F788-V801 PolarHBondContact N-O 3.04Å; F788-V801 PolarHBondContact O-N 3.1Å; F788-W873 HydrophobicContact CB-CZ2 4.45Å; F788-W873 AromaticContact CD1-CD1 3.96Å; F788-W873 AromaticContact CD1-CD2 3.67Å; F788-W873 HydrophobicContact CD1-CD2 3.67Å; F788-W873 AromaticContact CD1-CE2 3.68Å; F788-W873 HydrophobicContact CD1-CE3 4.19Å; F788-W873 AromaticContact CD1-CG 3.87Å; F788-W873 HydrophobicContact CD1-CG 3.87Å; F788-W873 HydrophobicContact CD1-CZ2 4.23Å; F788-W873 AromaticContact CD1-NE1 3.84Å; F788-W873 HydrophobicContact CE1-CB 3.78Å; F788-W873 AromaticContact CE1-CD1 3.39Å; F788-W873 AromaticContact CE1-CD2 3.66Å; F788-W873 HydrophobicContact CE1-CD2 3.66Å; F788-W873 AromaticContact CE1-CE2 3.93Å; F788-W873 HydrophobicContact CE1-CE3 4.42Å; F788-W873 AromaticContact CE1-CG 3.32Å; F788-W873 HydrophobicContact CE1-CG 3.32Å; F788-W873 AromaticContact CE1-NE1 3.75Å; F788-W873 HydrophobicContact CG-CZ2 4.4Å; F788-W873 HydrophobicContact CZ-CB 4.34Å; F788-W873 AromaticContact CZ-CD1 3.5Å; F788-W873 VanDerWaalsContact CZ-CD1 3.5Å; F788-W873 AromaticContact CZ-CG 3.88Å; F788-W873 HydrophobicContact CZ-CG 3.88Å; F788-W873 AromaticContact CZ-NE1 3.93Å; F788-L875 HydrophobicContact CE2-CB 4.15Å; F788-L875 HydrophobicContact CE2-CD2 4.16Å; F788-L875 HydrophobicContact CZ-CB 4.38Å; F788-V886 HydrophobicContact CZ-CG1 4.32Å; F788-F888 HydrophobicContact CE1-CE2 4.32Å; F788-F888 AromaticContact CE1-CZ 3.92Å; F788-F888 HydrophobicContact CE1-CZ 3.92Å; F788-G912 WeakPolarHBondContact CA-O 3.16Å; F788-G912 WeakPolarHBondContact CB-O 3.34Å
789	I	98.4	Very high	95.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	158.5	178.2	65.4	169.5	0	0	0	111.1	L759 V761 Y792 F798 Y799 V800 G912 F914	L759-I789 HydrophobicContact CB-CD1 4.29Å; L759-I789 HydrophobicContact CD1-CD1 3.98Å; L759-I789 HydrophobicContact CD2-CD1 4.15Å; L759-I789 HydrophobicContact CD2-CG2 3.72Å; L759-I789 HydrophobicContact CG-CD1 4.38Å; V761-I789 HydrophobicContact CG1-CD1 4.29Å; V761-I789 HydrophobicContact CG2-CD1 3.67Å; I789-Y792 HydrophobicContact CD1-CD2 3.69Å; I789-Y792 HydrophobicContact CD1-CG 4.05Å; I789-F798 HydrophobicContact CB-CD2 4.33Å; I789-F798 HydrophobicContact CG2-CD2 3.83Å; I789-F798 HydrophobicContact CG2-CE2 4.08Å; I789-Y799 WeakPolarHBondContact CA-O 3.24Å; I789-Y799 WeakPolarHBondContact CB-O 3.04Å; I789-V800 HydrophobicContact CG2-CB 3.99Å; I789-V800 HydrophobicContact CG2-CG2 3.97Å; I789-G912 PolarHBondContact N-O 2.93Å; I789-G912 PolarHBondContact O-N 2.02Å; I789-F914 HydrophobicContact CG2-CB 4.07Å
790	F	98.4	Very high	96.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	159.1	172.5	64.6	-84.4	0	0	0	110.1	F788 Y792 Y799 V801 L826 L875 H877 I884 R910 L911	F788-F790 HydrophobicContact CE2-CD1 4.21Å; F790-Y792 PolarHBondContact O-N 2.82Å; F790-Y799 AromaticContact CD2-CD2 3.85Å; F790-Y799 HydrophobicContact CD2-CD2 3.85Å; F790-Y799 HydrophobicContact CD2-CG 4.17Å; F790-Y799 VanDerWaalsContact CE1-CB 3.45Å; F790-Y799 HydrophobicContact CE1-CG 4.35Å; F790-Y799 VanDerWaalsContact CE2-CB 3.47Å; F790-Y799 HydrophobicContact CE2-CD1 4.47Å; F790-Y799 AromaticContact CE2-CD2 3.47Å; F790-Y799 HydrophobicContact CE2-CD2 3.47Å; F790-Y799 VanDerWaalsContact CE2-CD2 3.47Å; F790-Y799 HydrophobicContact CE2-CE2 4.32Å; F790-Y799 AromaticContact CE2-CG 3.56Å; F790-Y799 HydrophobicContact CE2-CG 3.56Å; F790-Y799 HydrophobicContact CZ-CD1 4.35Å; F790-Y799 HydrophobicContact CZ-CD2 4.09Å; F790-Y799 AromaticContact CZ-CG 3.68Å; F790-Y799 HydrophobicContact CZ-CG 3.68Å; F790-Y799 PolarHBondContact N-O 3.03Å; F790-Y799 WeakPolarHBondContact O-CB 3.46Å; F790-Y799 PolarHBondContact O-N 3.09Å; F790-V801 HydrophobicContact CE1-CG2 4.05Å; F790-L826 HydrophobicContact CE1-CD1 3.77Å; F790-L826 HydrophobicContact CZ-CD1 3.83Å; F790-L875 HydrophobicContact CB-CD2 3.53Å; F790-L875 HydrophobicContact CD1-CD1 4.09Å; F790-L875 HydrophobicContact CD1-CD2 3.55Å; F790-L875 HydrophobicContact CD1-CG 4.48Å; F790-L875 HydrophobicContact CD2-CD1 4.43Å; F790-L875 HydrophobicContact CD2-CD2 3.85Å; F790-L875 HydrophobicContact CE1-CD1 3.83Å; F790-L875 HydrophobicContact CE1-CD2 4.17Å; F790-L875 HydrophobicContact CE2-CD1 4.19Å; F790-L875 HydrophobicContact CE2-CD2 4.43Å; F790-L875 HydrophobicContact CG-CD1 4.37Å; F790-L875 HydrophobicContact CG-CD2 3.36Å; F790-L875 HydrophobicContact CZ-CD1 3.88Å; F790-H877 HydrophobicContact CD2-CB 4.21Å; F790-H877 AromaticContact CD2-CG 3.84Å; F790-H877 AromaticContact CD2-ND1 3.73Å; F790-H877 HydrophobicContact CE2-CB 4.34Å; F790-H877 AromaticContact CE2-CD2 3.92Å; F790-H877 AromaticContact CE2-CG 3.88Å; F790-I884 HydrophobicContact CE2-CD1 4.18Å; F790-I884 HydrophobicContact CE2-CG1 4.17Å; F790-I884 HydrophobicContact CE2-CG2 4.29Å; F790-I884 HydrophobicContact CZ-CD1 4.24Å; F790-I884 HydrophobicContact CZ-CG1 4.37Å; F790-I884 HydrophobicContact CZ-CG2 3.79Å; F790-R910 CarbonylContact C-O 3.48Å; F790-L911 HydrophobicContact CB-CD2 3.54Å
791	G	97.3	Very high	96.3	Very high	2 Å²	2	10.2 Å²	10.2	2%	0.021	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	57.6	38.8	-174.7	0	0	0	0	0	111.9	G908 R910	G791-G908 CarbonylContact C-O 3.52Å; G791-G908 WeakPolarHBondContact CA-O 3Å; G791-R910 PolarHBondContact N-O 3.2Å; G791-R910 VanDerWaalsContact N-O 3.1Å
792	Y	98.3	Very high	96.6	Very high	1 Å²	1	7.3 Å²	7.3	0%	0.004	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	120.7	174.7	-179.9	-80.7	0	0	0	109.3	N612 V726 L759 V761 I789 F790 D794 S795 F798 R910	N612-Y792 PolarHBondContact O-OH 3.17Å; V726-Y792 HydrophobicContact CG2-CE2 4.44Å; V726-Y792 WeakPolarHBondContact CG2-OH 3.28Å; L759-Y792 HydrophobicContact CD1-CD2 4.02Å; L759-Y792 HydrophobicContact CD1-CE2 3.66Å; V761-Y792 HydrophobicContact CG1-CD1 3.73Å; V761-Y792 HydrophobicContact CG1-CE1 4.35Å; V761-Y792 HydrophobicContact CG1-CG 3.86Å; V761-Y792 HydrophobicContact CG2-CD1 4.46Å; V761-Y792 HydrophobicContact CG2-CD2 4.24Å; V761-Y792 HydrophobicContact CG2-CE2 4.27Å; V761-Y792 HydrophobicContact CG2-CG 4.33Å; I789-Y792 HydrophobicContact CD1-CD2 3.69Å; I789-Y792 HydrophobicContact CD1-CG 4.05Å; F790-Y792 PolarHBondContact O-N 2.82Å; Y792-D794 WeakPolarHBondContact CE2-O 2.96Å; Y792-D794 VanDerWaalsContact CZ-C 3.44Å; Y792-S795 WeakPolarHBondContact OH-CA 3.47Å; Y792-S795 PolarHBondContact OH-N 2.91Å; Y792-S795 VanDerWaalsContact OH-N 3.11Å; Y792-F798 HydrophobicContact CD2-CB 3.71Å; Y792-F798 AromaticContact CD2-CD1 3.99Å; Y792-F798 HydrophobicContact CD2-CD1 3.99Å; Y792-F798 AromaticContact CD2-CG 3.95Å; Y792-F798 HydrophobicContact CD2-CG 3.95Å; Y792-F798 HydrophobicContact CE2-CD1 4.14Å; Y792-F798 HydrophobicContact CG-CB 4.26Å; Y792-R910 PolarHBondContact N-O 3.05Å; Y792-R910 PolarHBondContact O-N 3.11Å
793	Q	96.1	Very high	96.9	Very high	12 Å²	12	5.3 Å²	5.3	6%	0.056	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	-57.1	175.4	-59.5	174.6	-32.9	0	0	107.7	G627 D628 G629 S797 M906	G627-Q793 PolarHBondContact O-NE2 3.04Å; D628-Q793 PolarHBondContact O-NE2 3.36Å; G629-Q793 VanDerWaalsContact CA-CD 3.43Å; G629-Q793 VanDerWaalsContact N-NE2 3.11Å; Q793-S797 PolarHBondContact N-O 3.28Å; Q793-M906 HydrophobicContact CG-CG 4.45Å
794	D	95.5	Very high	97	Very high	15 Å²	15	3.5 Å²	3.5	8%	0.08	2%	0.021	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	170.6	179.4	67.3	69.1	0	0	0	110.3	D611 D613 Y792 S796 S797	D611-D794 HydrophobicContact CB-CB 4.34Å; D613-D794 HydrophobicContact CB-CB 3.72Å; Y792-D794 WeakPolarHBondContact CE2-O 2.96Å; Y792-D794 VanDerWaalsContact CZ-C 3.44Å; D794-S796 PolarHBondContact O-N 2.65Å; D794-S796 VanDerWaalsContact OD1-C 3.22Å; D794-S796 WeakPolarHBondContact OD1-CA 3.37Å; D794-S796 WeakPolarHBondContact OD1-CB 3.37Å; D794-S796 PolarHBondContact OD1-N 3.08Å; D794-S797 VanDerWaalsContact CG-OG 3.25Å; D794-S797 CarbonylContact O-C 3.4Å; D794-S797 PolarHBondContact O-N 3.38Å; D794-S797 PolarHBondContact OD1-N 2.55Å; D794-S797 PolarHBondContact OD1-OG 2.96Å; D794-S797 VanDerWaalsContact OD1-OG 3.11Å; D794-S797 WeakPolarHBondContact OD2-CB 3.25Å; D794-S797 PolarHBondContact OD2-OG 3.33Å
795	S	95.4	Very high	97	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-7.7	-179.2	64	0	0	0	0	114.8	D611 Y792 F798 P835	D611-S795 VanDerWaalsContact C-OG 3.22Å; D611-S795 WeakPolarHBondContact CA-OG 3.49Å; D611-S795 WeakPolarHBondContact O-CB 3.04Å; D611-S795 PolarHBondContact O-N 2.77Å; D611-S795 PolarHBondContact O-OG 2.94Å; Y792-S795 WeakPolarHBondContact OH-CA 3.47Å; Y792-S795 PolarHBondContact OH-N 2.91Å; Y792-S795 VanDerWaalsContact OH-N 3.11Å; S795-F798 WeakPolarHBondContact O-CE1 3.22Å; S795-P835 VanDerWaalsContact OG-CD 3.31Å; S795-P835 WeakPolarHBondContact OG-CD 3.13Å; S795-P835 WeakPolarHBondContact OG-CG 3.23Å
796	S	95.7	Very high	96.9	Very high	15 Å²	15	7.8 Å²	7.8	11%	0.105	4%	0.044	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-12.5	172.3	-52.6	0	0	0	0	112.8	D794 V829 K830 S831 G834	D794-S796 PolarHBondContact O-N 2.65Å; D794-S796 VanDerWaalsContact OD1-C 3.22Å; D794-S796 WeakPolarHBondContact OD1-CA 3.37Å; D794-S796 WeakPolarHBondContact OD1-CB 3.37Å; D794-S796 PolarHBondContact OD1-N 3.08Å; S796-V829 CarbonylContact O-C 3.51Å; S796-V829 VanDerWaalsContact O-C 3.31Å; S796-K830 CarbonylContact O-C 3.42Å; S796-K830 WeakPolarHBondContact O-CA 2.98Å; S796-K830 PolarHBondContact O-N 3.49Å; S796-S831 PolarHBondContact O-N 3.05Å; S796-G834 VanDerWaalsContact OG-CA 3.29Å; S796-G834 WeakPolarHBondContact OG-CA 3.34Å
797	S	96.6	Very high	96.7	Very high	3 Å²	3	13.6 Å²	13.6	2%	0.021	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	94.6	-171.1	-48.9	0	0	0	0	112	Q793 D794 V829 K830	Q793-S797 PolarHBondContact N-O 3.28Å; D794-S797 VanDerWaalsContact CG-OG 3.25Å; D794-S797 CarbonylContact O-C 3.4Å; D794-S797 PolarHBondContact O-N 3.38Å; D794-S797 PolarHBondContact OD1-N 2.55Å; D794-S797 PolarHBondContact OD1-OG 2.96Å; D794-S797 VanDerWaalsContact OD1-OG 3.11Å; D794-S797 WeakPolarHBondContact OD2-CB 3.25Å; D794-S797 PolarHBondContact OD2-OG 3.33Å; S797-V829 WeakPolarHBondContact CA-O 3.35Å; S797-K830 WeakPolarHBondContact OG-CD 3.48Å; S797-K830 WeakPolarHBondContact OG-CE 3.39Å; S797-K830 PolarHBondContact OG-NZ 3.47Å
798	F	98.1	Very high	96.5	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	154	177.1	60.2	-86.9	0	0	0	112.7	L728 L759 I789 Y792 S795 V800 V829 M906	L728-F798 HydrophobicContact CD1-CZ 4.22Å; L728-F798 HydrophobicContact CD2-CE1 4.37Å; L728-F798 HydrophobicContact CD2-CZ 4.39Å; L759-F798 HydrophobicContact CD1-CE1 4.33Å; L759-F798 HydrophobicContact CD1-CE2 4.41Å; L759-F798 HydrophobicContact CD1-CZ 4.18Å; I789-F798 HydrophobicContact CB-CD2 4.33Å; I789-F798 HydrophobicContact CG2-CD2 3.83Å; I789-F798 HydrophobicContact CG2-CE2 4.08Å; Y792-F798 HydrophobicContact CD2-CB 3.71Å; Y792-F798 AromaticContact CD2-CD1 3.99Å; Y792-F798 HydrophobicContact CD2-CD1 3.99Å; Y792-F798 AromaticContact CD2-CG 3.95Å; Y792-F798 HydrophobicContact CD2-CG 3.95Å; Y792-F798 HydrophobicContact CE2-CD1 4.14Å; Y792-F798 HydrophobicContact CG-CB 4.26Å; S795-F798 WeakPolarHBondContact O-CE1 3.22Å; F798-V800 HydrophobicContact CD2-CB 4.11Å; F798-V800 HydrophobicContact CE2-CB 3.95Å; F798-V800 HydrophobicContact CE2-CG1 4.19Å; F798-V829 HydrophobicContact CD1-CB 4.08Å; F798-V829 HydrophobicContact CD1-CG1 4.25Å; F798-V829 HydrophobicContact CD2-CB 4.33Å; F798-V829 HydrophobicContact CD2-CG2 4.01Å; F798-V829 HydrophobicContact CE1-CB 3.95Å; F798-V829 HydrophobicContact CE1-CG1 3.78Å; F798-V829 HydrophobicContact CE1-CG2 4.16Å; F798-V829 HydrophobicContact CE2-CB 4.23Å; F798-V829 HydrophobicContact CE2-CG2 3.62Å; F798-V829 HydrophobicContact CG-CB 4.26Å; F798-V829 HydrophobicContact CG-CG2 4.44Å; F798-V829 HydrophobicContact CZ-CB 4.04Å; F798-V829 HydrophobicContact CZ-CG1 4.04Å; F798-V829 HydrophobicContact CZ-CG2 3.71Å; F798-V829 PolarHBondContact N-O 2.93Å; F798-V829 VanDerWaalsContact N-O 3.16Å; F798-V829 VanDerWaalsContact O-CB 3.29Å; F798-V829 WeakPolarHBondContact O-CB 3.45Å; F798-V829 PolarHBondContact O-N 3.5Å; F798-M906 VanDerWaalsContact O-CE 3.31Å; F798-M906 WeakPolarHBondContact O-CE 3.38Å
799	Y	98.6	Very high	96.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	142.8	168	-62.8	-77.1	0	0	0	110.1	I789 F790 K827 A828 L856 I884 D903 T905 M906	I789-Y799 WeakPolarHBondContact CA-O 3.24Å; I789-Y799 WeakPolarHBondContact CB-O 3.04Å; F790-Y799 AromaticContact CD2-CD2 3.85Å; F790-Y799 HydrophobicContact CD2-CD2 3.85Å; F790-Y799 HydrophobicContact CD2-CG 4.17Å; F790-Y799 VanDerWaalsContact CE1-CB 3.45Å; F790-Y799 HydrophobicContact CE1-CG 4.35Å; F790-Y799 VanDerWaalsContact CE2-CB 3.47Å; F790-Y799 HydrophobicContact CE2-CD1 4.47Å; F790-Y799 AromaticContact CE2-CD2 3.47Å; F790-Y799 HydrophobicContact CE2-CD2 3.47Å; F790-Y799 VanDerWaalsContact CE2-CD2 3.47Å; F790-Y799 HydrophobicContact CE2-CE2 4.32Å; F790-Y799 AromaticContact CE2-CG 3.56Å; F790-Y799 HydrophobicContact CE2-CG 3.56Å; F790-Y799 HydrophobicContact CZ-CD1 4.35Å; F790-Y799 HydrophobicContact CZ-CD2 4.09Å; F790-Y799 AromaticContact CZ-CG 3.68Å; F790-Y799 HydrophobicContact CZ-CG 3.68Å; F790-Y799 PolarHBondContact N-O 3.03Å; F790-Y799 WeakPolarHBondContact O-CB 3.46Å; F790-Y799 PolarHBondContact O-N 3.09Å; Y799-K827 WeakPolarHBondContact CA-O 3.5Å; Y799-A828 HydrophobicContact CD1-CB 3.77Å; Y799-A828 HydrophobicContact CE1-CB 3.63Å; Y799-L856 HydrophobicContact CD1-CD1 3.97Å; Y799-L856 HydrophobicContact CE1-CD1 3.83Å; Y799-I884 HydrophobicContact CD1-CD1 4.14Å; Y799-I884 HydrophobicContact CE1-CD1 3.85Å; Y799-I884 HydrophobicContact CE2-CD1 4.34Å; Y799-D903 HydrophobicContact CE1-CB 4.24Å; Y799-D903 WeakPolarHBondContact CE1-OD1 3.38Å; Y799-D903 PolarHBondContact OH-OD1 2.58Å; Y799-T905 PolarHBondContact OH-N 2.76Å; Y799-M906 HydrophobicContact CD1-CE 3.53Å; Y799-M906 HydrophobicContact CD2-CB 4.26Å; Y799-M906 HydrophobicContact CD2-CE 3.46Å; Y799-M906 VanDerWaalsContact CD2-CE 3.46Å; Y799-M906 HydrophobicContact CE1-CE 3.5Å; Y799-M906 HydrophobicContact CE2-CB 3.68Å; Y799-M906 HydrophobicContact CE2-CE 3.46Å; Y799-M906 VanDerWaalsContact CE2-CE 3.46Å; Y799-M906 HydrophobicContact CE2-CG 4.45Å; Y799-M906 HydrophobicContact CE2-SD 4.39Å; Y799-M906 HydrophobicContact CG-CE 3.49Å; Y799-M906 VanDerWaalsContact CG-CE 3.49Å; Y799-M906 VanDerWaalsContact CZ-CE 3.45Å; Y799-M906 PolarHBondContact OH-N 3.17Å
800	V	98.4	Very high	95.9	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	130	178.4	57.9	0	0	0	0	110.6	I789 F798 M802 K827 V829 L843 F914	I789-V800 HydrophobicContact CG2-CB 3.99Å; I789-V800 HydrophobicContact CG2-CG2 3.97Å; F798-V800 HydrophobicContact CD2-CB 4.11Å; F798-V800 HydrophobicContact CE2-CB 3.95Å; F798-V800 HydrophobicContact CE2-CG1 4.19Å; V800-M802 HydrophobicContact CB-CE 4.27Å; V800-M802 HydrophobicContact CG1-CE 3.47Å; V800-M802 VanDerWaalsContact CG1-CE 3.47Å; V800-M802 HydrophobicContact CG2-CB 4.26Å; V800-M802 HydrophobicContact CG2-CE 3.75Å; V800-K827 HydrophobicContact CG1-CB 3.91Å; V800-K827 PolarHBondContact N-O 2.86Å; V800-K827 PolarHBondContact O-N 3.02Å; V800-V829 HydrophobicContact CG1-CG2 3.93Å; V800-L843 HydrophobicContact CG1-CD2 4.27Å; V800-F914 HydrophobicContact CG2-CB 4.42Å; V800-F914 HydrophobicContact CG2-CD1 3.87Å; V800-F914 HydrophobicContact CG2-CE1 4.31Å; V800-F914 HydrophobicContact CG2-CG 4.1Å
801	V	98.4	Very high	95.4	Very high	2 Å²	2	24.6 Å²	24.6	1%	0.012	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	118.7	165.3	179.2	0	0	0	0	106.7	G787 F788 F790 L824 Q825 L826 V886 F888	G787-V801 CarbonylContact C-O 3.4Å; G787-V801 VanDerWaalsContact CA-O 3.22Å; G787-V801 WeakPolarHBondContact CA-O 3.43Å; F788-V801 HydrophobicContact CD1-CB 4.19Å; F788-V801 HydrophobicContact CD1-CG1 4.49Å; F788-V801 HydrophobicContact CD2-CB 4.42Å; F788-V801 HydrophobicContact CE1-CB 3.77Å; F788-V801 HydrophobicContact CE1-CG1 3.83Å; F788-V801 HydrophobicContact CE1-CG2 4.23Å; F788-V801 HydrophobicContact CE2-CB 4.01Å; F788-V801 HydrophobicContact CE2-CG2 3.78Å; F788-V801 HydrophobicContact CG-CB 4.5Å; F788-V801 HydrophobicContact CZ-CB 3.68Å; F788-V801 HydrophobicContact CZ-CG1 4.01Å; F788-V801 HydrophobicContact CZ-CG2 3.61Å; F788-V801 PolarHBondContact N-O 3.04Å; F788-V801 PolarHBondContact O-N 3.1Å; F790-V801 HydrophobicContact CE1-CG2 4.05Å; V801-L824 HydrophobicContact CG1-CD1 3.61Å; V801-L824 HydrophobicContact CG1-CG 4.26Å; V801-Q825 CarbonylContact C-O 3.39Å; V801-Q825 VanDerWaalsContact CA-O 3.32Å; V801-Q825 WeakPolarHBondContact CA-O 3.38Å; V801-L826 HydrophobicContact CG2-CD1 3.68Å; V801-V886 HydrophobicContact CG1-CG1 4.44Å; V801-V886 HydrophobicContact CG2-CG1 4.36Å; V801-V886 HydrophobicContact CG2-CG2 4.08Å; V801-F888 HydrophobicContact CG1-CE2 3.93Å; V801-F888 HydrophobicContact CG1-CZ 3.93Å
802	M	97.1	Very high	94.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	148.4	-177.4	62.5	177.4	69.5	0	0	111	Y785 V800 Q825 K827 L843 F914	Y785-M802 HydrophobicContact CD1-CB 3.88Å; Y785-M802 HydrophobicContact CD1-CG 4.03Å; Y785-M802 HydrophobicContact CD1-SD 4.05Å; Y785-M802 HydrophobicContact CE1-CB 4.22Å; Y785-M802 HydrophobicContact CE1-CG 3.85Å; Y785-M802 HydrophobicContact CE1-SD 3.75Å; V800-M802 HydrophobicContact CB-CE 4.27Å; V800-M802 HydrophobicContact CG1-CE 3.47Å; V800-M802 VanDerWaalsContact CG1-CE 3.47Å; V800-M802 HydrophobicContact CG2-CB 4.26Å; V800-M802 HydrophobicContact CG2-CE 3.75Å; M802-Q825 HydrophobicContact CG-CB 3.96Å; M802-Q825 PolarHBondContact N-O 3.04Å; M802-Q825 PolarHBondContact O-N 2.78Å; M802-K827 HydrophobicContact CE-CD 3.88Å; M802-K827 HydrophobicContact SD-CD 4.02Å; M802-K827 VanDerWaalsContact SD-CE 3.51Å; M802-K827 PolarHBondContact SD-NZ 3.46Å; M802-K827 VanDerWaalsContact SD-NZ 3.36Å; M802-L843 HydrophobicContact CE-CD2 3.88Å; M802-L843 VanDerWaalsContact SD-O 3.38Å; M802-F914 HydrophobicContact CB-CD1 4.16Å; M802-F914 HydrophobicContact CB-CE1 3.9Å; M802-F914 HydrophobicContact CE-CE1 4.14Å; M802-F914 HydrophobicContact CE-CZ 4.39Å
803	W	97.2	Very high	94.3	Very high	11 Å²	11	30.2 Å²	30.2	4%	0.042	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	127.7	-177.9	-159	7	0	0	0	111	F775 A786 L824 A863 W865 Y871 F888	F775-W803 HydrophobicContact CD1-CE3 4.06Å; F775-W803 HydrophobicContact CD1-CZ3 4.2Å; F775-W803 AromaticContact CE1-CE3 3.86Å; F775-W803 HydrophobicContact CE1-CE3 3.86Å; F775-W803 HydrophobicContact CE1-CZ3 4.24Å; A786-W803 PolarHBondContact N-O 2.79Å; A786-W803 PolarHBondContact O-N 2.86Å; W803-L824 HydrophobicContact CB-CD1 3.9Å; W803-L824 VanDerWaalsContact CD1-N 3.32Å; W803-L824 HydrophobicContact CD2-CD1 4.27Å; W803-L824 HydrophobicContact CG-CB 4.38Å; W803-L824 HydrophobicContact CG-CD1 4.01Å; W803-A863 PolarHBondContact NE1-O 3.12Å; W803-W865 HydrophobicContact CD2-CB 3.85Å; W803-W865 AromaticContact CD2-CD1 3.96Å; W803-W865 HydrophobicContact CD2-CG 4.34Å; W803-W865 HydrophobicContact CE3-CB 3.76Å; W803-W865 HydrophobicContact CE3-CG 4.47Å; W803-W865 AromaticContact CG-CD1 3.78Å; W803-W865 HydrophobicContact CH2-CB 3.92Å; W803-W865 HydrophobicContact CZ2-CB 4.01Å; W803-W865 HydrophobicContact CZ3-CB 3.79Å; W803-W865 PolarHBondContact O-NE1 3.09Å; W803-W865 VanDerWaalsContact O-NE1 3.11Å; W803-Y871 AromaticContact CH2-CD1 3.73Å; W803-Y871 HydrophobicContact CH2-CD1 3.73Å; W803-Y871 HydrophobicContact CH2-CD2 4.19Å; W803-Y871 AromaticContact CH2-CE1 3.55Å; W803-Y871 HydrophobicContact CH2-CE1 3.55Å; W803-Y871 HydrophobicContact CH2-CE2 4.01Å; W803-Y871 HydrophobicContact CH2-CG 4.04Å; W803-Y871 AromaticContact CH2-CZ 3.68Å; W803-Y871 AromaticContact CZ3-CD1 3.82Å; W803-Y871 HydrophobicContact CZ3-CD1 3.82Å; W803-Y871 AromaticContact CZ3-CD2 3.73Å; W803-Y871 HydrophobicContact CZ3-CD2 3.73Å; W803-Y871 HydrophobicContact CZ3-CE1 4.04Å; W803-Y871 AromaticContact CZ3-CE2 3.94Å; W803-Y871 HydrophobicContact CZ3-CE2 3.94Å; W803-Y871 AromaticContact CZ3-CG 3.65Å; W803-Y871 HydrophobicContact CZ3-CG 3.65Å; W803-F888 HydrophobicContact CE3-CE1 4.31Å; W803-F888 HydrophobicContact CZ3-CD1 4.29Å; W803-F888 HydrophobicContact CZ3-CE1 4.49Å
804	K	94.9	Very high	93.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	147.1	175.2	-172.6	170.8	169.1	51.8	0	111.1	D783 D784 Y785 T806 A820 G864	D783-K804 WeakPolarHBondContact O-CG 3.04Å; D783-K804 PolarHBondContact O-NZ 3.22Å; D783-K804 IonicContact OD1-NZ 3.9Å; D783-K804 PolarHBondContact OD1-NZ 2.95Å; D784-K804 IonicContact OD1-NZ 3.02Å; D784-K804 PolarHBondContact OD1-NZ 2.96Å; Y785-K804 HydrophobicContact CD1-CB 3.73Å; Y785-K804 HydrophobicContact CD2-CB 4.42Å; Y785-K804 HydrophobicContact CD2-CD 4.18Å; Y785-K804 HydrophobicContact CE1-CB 3.55Å; Y785-K804 HydrophobicContact CE2-CB 4.27Å; Y785-K804 HydrophobicContact CE2-CD 3.91Å; Y785-K804 HydrophobicContact CG-CB 4.17Å; K804-T806 WeakPolarHBondContact CD-O 3.27Å; K804-T806 WeakPolarHBondContact CE-O 3.01Å; K804-T806 WeakPolarHBondContact CG-O 2.97Å; K804-A820 HydrophobicContact CD-CB 3.67Å; K804-G864 VanDerWaalsContact O-CA 3.25Å; K804-G864 WeakPolarHBondContact O-CA 3.4Å
805	Q	94.4	Very high	93.7	Very high	44 Å²	44	34.6 Å²	34.6	21%	0.206	19%	0.185	C	C	.	.	S	Bend	trans	-78.9	-47.7	-179.9	175.7	178.4	89	0	0	113.6	D783 P822 G864 W865 D867	D783-Q805 HydrophobicContact CB-CB 3.98Å; D783-Q805 HydrophobicContact CB-CG 4.29Å; D783-Q805 PolarHBondContact O-N 2.93Å; Q805-P822 VanDerWaalsContact O-CB 3.29Å; Q805-P822 WeakPolarHBondContact O-CB 3.42Å; Q805-G864 WeakPolarHBondContact O-CA 3.35Å; Q805-W865 HydrophobicContact CB-CD2 3.69Å; Q805-W865 VanDerWaalsContact CB-CE2 3.49Å; Q805-W865 HydrophobicContact CB-CE3 3.98Å; Q805-W865 HydrophobicContact CB-CG 4.29Å; Q805-W865 HydrophobicContact CB-CH2 3.85Å; Q805-W865 HydrophobicContact CB-CZ2 3.58Å; Q805-W865 HydrophobicContact CB-CZ3 4.05Å; Q805-W865 HydrophobicContact CG-CD2 4.48Å; Q805-W865 HydrophobicContact CG-CE3 4.36Å; Q805-W865 HydrophobicContact CG-CZ3 4.39Å; Q805-W865 VanDerWaalsContact CG-O 3.31Å; Q805-W865 WeakPolarHBondContact CG-O 3.46Å; Q805-W865 PolarHBondContact NE2-O 3.33Å; Q805-W865 VanDerWaalsContact NE2-O 3.12Å; Q805-D867 PolarHBondContact NE2-OD1 2.92Å
806	T	93.3	Very high	93.7	Very high	49 Å²	49	37.2 Å²	37.2	30%	0.301	20%	0.196	S	C	.	.	S	Bend	trans	-122.2	173.4	-177.8	79.1	0	0	0	0	113.4	D783 K804	D783-T806 HydrophobicContact CB-CG2 3.91Å; D783-T806 PolarHBondContact OD1-OG1 2.91Å; D783-T806 WeakPolarHBondContact OD2-CB 3.39Å; D783-T806 WeakPolarHBondContact OD2-CG2 3.49Å; D783-T806 PolarHBondContact OD2-OG1 2.78Å; K804-T806 WeakPolarHBondContact CD-O 3.27Å; K804-T806 WeakPolarHBondContact CE-O 3.01Å; K804-T806 WeakPolarHBondContact CG-O 2.97Å
807	E	93.9	Very high	93.6	Very high	122 Å²	122	45.4 Å²	45.4	57%	0.57	23%	0.225	S	C	*	.			trans	-86.1	125.5	175.1	-170.4	177.2	-172.1	0	0	110.4	A820	E807-A820 WeakPolarHBondContact CA-O 3.24Å; E807-A820 VanDerWaalsContact CG-O 3.28Å; E807-A820 WeakPolarHBondContact CG-O 3.32Å
808	Q	92.6	Very high	93.5	Very high	55 Å²	55	45.3 Å²	45.3	26%	0.257	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	136.2	-179.5	-174.8	178.4	-14.1	0	0	111.9	D783 D784 A820 W844	D783-Q808 PolarHBondContact OD1-OE1 3.41Å; D784-Q808 PolarHBondContact OD1-OE1 3.5Å; Q808-A820 PolarHBondContact N-O 2.87Å; Q808-A820 WeakPolarHBondContact O-CB 3.44Å; Q808-A820 PolarHBondContact O-N 3.4Å; Q808-W844 HydrophobicContact CB-CZ2 4.2Å; Q808-W844 HydrophobicContact CG-CZ2 4Å; Q808-W844 PolarHBondContact O-NE1 2.88Å; Q808-W844 VanDerWaalsContact O-NE1 3.08Å
809	A	92.8	Very high	93.3	Very high	38 Å²	38	47.4 Å²	47.4	31%	0.314	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	134.3	166.2	0	0	0	0	0	109.2	W811 A818	A809-W811 PolarHBondContact O-N 2.92Å; A809-A818 WeakPolarHBondContact CA-O 3.35Å
810	Y	90.6	Very high	93.2	Very high	10 Å²	10	47.4 Å²	47.4	4%	0.039	24%	0.237	C	C	.	.			trans	-58.8	139	176.6	-165.7	-121.7	0	0	0	109.8	Q812 A818 R840 W844 F916	Y810-Q812 HydrophobicContact CD1-CB 3.75Å; Y810-Q812 HydrophobicContact CD1-CG 4.29Å; Y810-Q812 WeakPolarHBondContact CD1-O 3.47Å; Y810-Q812 HydrophobicContact CE1-CB 3.57Å; Y810-Q812 HydrophobicContact CE1-CG 3.69Å; Y810-Q812 PolarHBondContact O-N 3.02Å; Y810-A818 PolarHBondContact N-O 3.17Å; Y810-R840 HydrophobicContact CE1-CG 4.46Å; Y810-R840 WeakPolarHBondContact OH-CD 3.37Å; Y810-W844 AromaticContact CD2-CD2 3.45Å; Y810-W844 HydrophobicContact CD2-CD2 3.45Å; Y810-W844 VanDerWaalsContact CD2-CD2 3.45Å; Y810-W844 AromaticContact CD2-CE2 3.78Å; Y810-W844 AromaticContact CD2-CE3 3.45Å; Y810-W844 HydrophobicContact CD2-CE3 3.45Å; Y810-W844 VanDerWaalsContact CD2-CE3 3.45Å; Y810-W844 AromaticContact CD2-CG 3.99Å; Y810-W844 HydrophobicContact CD2-CG 3.99Å; Y810-W844 HydrophobicContact CD2-CH2 4.02Å; Y810-W844 HydrophobicContact CD2-CZ2 4.06Å; Y810-W844 AromaticContact CD2-CZ3 3.74Å; Y810-W844 HydrophobicContact CD2-CZ3 3.74Å; Y810-W844 HydrophobicContact CE2-CD2 4.29Å; Y810-W844 AromaticContact CE2-CE3 3.85Å; Y810-W844 HydrophobicContact CE2-CE3 3.85Å; Y810-W844 AromaticContact CE2-CZ3 3.96Å; Y810-W844 HydrophobicContact CE2-CZ3 3.96Å; Y810-W844 HydrophobicContact CG-CD2 4.07Å; Y810-W844 HydrophobicContact CG-CE3 4.44Å; Y810-W844 HydrophobicContact CG-CG 4.14Å; Y810-F916 HydrophobicContact CD2-CZ 4.5Å; Y810-F916 AromaticContact CE2-CE2 3.95Å; Y810-F916 HydrophobicContact CE2-CE2 3.95Å; Y810-F916 AromaticContact CE2-CZ 3.83Å; Y810-F916 HydrophobicContact CE2-CZ 3.83Å
811	W	87.4	Confident	93	Very high	138 Å²	138	50.8 Å²	50.8	52%	0.523	25%	0.253	S	S	.	.	S	Bend	trans	-67.7	-28.4	-174.2	54.9	90.3	0	0	0	112.1	A809 W844 S917	A809-W811 PolarHBondContact O-N 2.92Å; W811-W844 AromaticContact CZ3-CH2 3.92Å; W811-W844 HydrophobicContact CZ3-CH2 3.92Å; W811-W844 HydrophobicContact CZ3-CZ3 4.23Å; W811-S917 WeakPolarHBondContact CH2-OG 3.49Å
812	Q	86.3	Confident	92.8	Very high	38 Å²	38	52 Å²	52	18%	0.178	26%	0.26	C	S	.	.			trans	-86	124	171.5	-49.3	-166.3	3.3	0	0	110.8	Y810 N841	Y810-Q812 HydrophobicContact CD1-CB 3.75Å; Y810-Q812 HydrophobicContact CD1-CG 4.29Å; Y810-Q812 WeakPolarHBondContact CD1-O 3.47Å; Y810-Q812 HydrophobicContact CE1-CB 3.57Å; Y810-Q812 HydrophobicContact CE1-CG 3.69Å; Y810-Q812 PolarHBondContact O-N 3.02Å; Q812-N841 PolarHBondContact O-ND2 3.16Å
813	S	87.4	Confident	92.6	Very high	83 Å²	83	52 Å²	52	58%	0.58	26%	0.26	S	S	*	.			trans	-95.3	-1.5	-179.7	59	0	0	0	0	114.2	F816 R817	S813-F816 CarbonylContact O-C 3.54Å; S813-F816 WeakPolarHBondContact O-CA 3.48Å; S813-F816 PolarHBondContact O-N 2.95Å; S813-R817 PolarHBondContact O-N 3.34Å
814	V	88.3	Confident	92.6	Very high	84 Å²	84	51.6 Å²	51.6	51%	0.509	26%	0.259	S	S	.	.	S	Bend	trans	-107.2	139.9	175.7	-178.4	0	0	0	0	107.2	R840 N841	V814-R840 PolarHBondContact O-NH2 2.93Å; V814-N841 PolarHBondContact O-ND2 3.22Å
815	P	90.8	Very high	92.7	Very high	35 Å²	35	51.6 Å²	51.6	23%	0.227	26%	0.259	C	S	.	.	S	Bend	cis	-75.2	-19.3	-0.1	27.7	-33	0	0	0	114.1	E837 Y838	P815-E837 WeakPolarHBondContact CD-O 3.05Å; P815-E837 HydrophobicContact CG-CG 4.16Å; P815-Y838 HydrophobicContact CB-CD1 3.96Å; P815-Y838 HydrophobicContact CB-CD2 4.02Å; P815-Y838 HydrophobicContact CB-CE1 3.59Å; P815-Y838 HydrophobicContact CB-CE2 3.64Å; P815-Y838 HydrophobicContact CB-CG 4.16Å; P815-Y838 VanDerWaalsContact CB-CZ 3.42Å; P815-Y838 HydrophobicContact CG-CD1 3.62Å; P815-Y838 HydrophobicContact CG-CD2 3.71Å; P815-Y838 HydrophobicContact CG-CE1 3.82Å; P815-Y838 HydrophobicContact CG-CE2 3.89Å; P815-Y838 HydrophobicContact CG-CG 3.56Å
816	F	94.5	Very high	92.9	Very high	55 Å²	55	49.5 Å²	49.5	24%	0.241	25%	0.25	C	C	.	.	S	Bend	trans	-149.1	163.1	171.5	66.1	-87.4	0	0	0	111.3	S813 A818 N841 A842 H845 T849	S813-F816 CarbonylContact O-C 3.54Å; S813-F816 WeakPolarHBondContact O-CA 3.48Å; S813-F816 PolarHBondContact O-N 2.95Å; F816-A818 HydrophobicContact CE2-CB 4.29Å; F816-A818 PolarHBondContact O-N 2.82Å; F816-A818 VanDerWaalsContact O-N 3.12Å; F816-N841 HydrophobicContact CD1-CB 4.32Å; F816-N841 HydrophobicContact CE1-CB 3.77Å; F816-N841 HydrophobicContact CE2-CB 4.22Å; F816-N841 HydrophobicContact CZ-CB 3.73Å; F816-N841 PolarHBondContact O-ND2 3.4Å; F816-A842 HydrophobicContact CZ-CB 4.25Å; F816-H845 HydrophobicContact CE2-CB 4.2Å; F816-T849 HydrophobicContact CE1-CG2 3.81Å; F816-T849 HydrophobicContact CE2-CG2 4.45Å; F816-T849 HydrophobicContact CZ-CG2 3.61Å
817	R	93.6	Very high	93.1	Very high	187 Å²	187	47.2 Å²	47.2	71%	0.706	24%	0.235	S	C	*	.			trans	-76	102.6	-179.5	-173.6	178.7	179.1	-177.1	-0.5	111.1	S813	S813-R817 PolarHBondContact O-N 3.34Å
818	A	94.6	Very high	93.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.209	C	C	.	.			trans	-82	135.9	172.8	0	0	0	0	0	111.5	A809 Y810 F816 N841 W844 H845	A809-A818 WeakPolarHBondContact CA-O 3.35Å; Y810-A818 PolarHBondContact N-O 3.17Å; F816-A818 HydrophobicContact CE2-CB 4.29Å; F816-A818 PolarHBondContact O-N 2.82Å; F816-A818 VanDerWaalsContact O-N 3.12Å; A818-N841 HydrophobicContact CB-CB 4.08Å; A818-N841 WeakPolarHBondContact CB-O 3.49Å; A818-W844 HydrophobicContact CB-CB 4.08Å; A818-W844 HydrophobicContact CB-CG 4.3Å; A818-H845 HydrophobicContact CB-CB 3.98Å
819	T	95.2	Very high	93.6	Very high	44 Å²	44	38.9 Å²	38.9	27%	0.27	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	125.3	173.9	-49.7	0	0	0	0	109.2	H845 T846	T819-H845 PolarHBondContact N-ND1 3.25Å; T819-H845 PolarHBondContact O-ND1 2.88Å; T819-T846 PolarHBondContact O-N 3.27Å
820	A	94.9	Very high	93.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	134.3	179.5	0	0	0	0	0	110	Y785 K804 E807 Q808 W844 T846	Y785-A820 HydrophobicContact CE2-CB 3.64Å; Y785-A820 WeakPolarHBondContact OH-CB 3.39Å; K804-A820 HydrophobicContact CD-CB 3.67Å; E807-A820 WeakPolarHBondContact CA-O 3.24Å; E807-A820 VanDerWaalsContact CG-O 3.28Å; E807-A820 WeakPolarHBondContact CG-O 3.32Å; Q808-A820 PolarHBondContact N-O 2.87Å; Q808-A820 WeakPolarHBondContact O-CB 3.44Å; Q808-A820 PolarHBondContact O-N 3.4Å; A820-W844 HydrophobicContact CB-CG 4.36Å; A820-W844 VanDerWaalsContact CB-NE1 3.32Å; A820-W844 WeakPolarHBondContact CB-O 3.31Å; A820-T846 WeakPolarHBondContact CA-OG1 3.44Å
821	Q	94.3	Very high	94	Very high	72 Å²	72	42 Å²	42	34%	0.336	21%	0.206	S	C	.	.			trans	-108.8	147.2	174.4	-61.4	-177.1	-43.3	0	0	110.1	A823 Q825 T846	Q821-A823 PolarHBondContact O-N 3.27Å; Q821-A823 VanDerWaalsContact O-N 3.12Å; Q821-Q825 PolarHBondContact O-NE2 2.68Å; Q821-T846 HydrophobicContact CB-CG2 4.15Å; Q821-T846 HydrophobicContact CG-CG2 4.39Å; Q821-T846 PolarHBondContact N-OG1 3.5Å
822	P	93.9	Very high	94.3	Very high	26 Å²	26	43.5 Å²	43.5	17%	0.169	22%	0.218	C	C	.	.	S	Bend	trans	-69	113	175.1	29.6	-34.2	0	0	0	108.4	Q805 N862	Q805-P822 VanDerWaalsContact O-CB 3.29Å; Q805-P822 WeakPolarHBondContact O-CB 3.42Å; P822-N862 CarbonylContact O-C 3.58Å; P822-N862 WeakPolarHBondContact O-CA 3.45Å; P822-N862 WeakPolarHBondContact O-CB 3.4Å
823	A	94.1	Very high	94.6	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.7	151.8	174	0	0	0	0	0	108.3	Q821 K858 D859	Q821-A823 PolarHBondContact O-N 3.27Å; Q821-A823 VanDerWaalsContact O-N 3.12Å; A823-K858 HydrophobicContact CB-CD 4.15Å; A823-K858 HydrophobicContact CB-CG 3.66Å; A823-D859 HydrophobicContact CB-CB 4.41Å
824	L	96.3	Very high	94.8	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.016	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	131.4	161.9	-173.3	69.6	0	0	0	109	V801 W803 W857 K858 D859 F888 A896	V801-L824 HydrophobicContact CG1-CD1 3.61Å; V801-L824 HydrophobicContact CG1-CG 4.26Å; W803-L824 HydrophobicContact CB-CD1 3.9Å; W803-L824 VanDerWaalsContact CD1-N 3.32Å; W803-L824 HydrophobicContact CD2-CD1 4.27Å; W803-L824 HydrophobicContact CG-CB 4.38Å; W803-L824 HydrophobicContact CG-CD1 4.01Å; L824-W857 HydrophobicContact CB-CH2 4.41Å; L824-W857 HydrophobicContact CB-CZ3 4.05Å; L824-W857 HydrophobicContact CD2-CH2 3.97Å; L824-W857 HydrophobicContact CD2-CZ3 3.67Å; L824-W857 HydrophobicContact CG-CH2 4.47Å; L824-W857 HydrophobicContact CG-CZ3 3.85Å; L824-K858 WeakPolarHBondContact O-CA 3.43Å; L824-D859 HydrophobicContact CB-CB 4.14Å; L824-D859 PolarHBondContact O-N 3.19Å; L824-F888 HydrophobicContact CD1-CD2 4.3Å; L824-F888 HydrophobicContact CD1-CE1 4.07Å; L824-F888 HydrophobicContact CD1-CE2 3.67Å; L824-F888 HydrophobicContact CD1-CZ 3.52Å; L824-F888 HydrophobicContact CD2-CD2 3.2Å; L824-F888 HydrophobicContact CD2-CE2 3.3Å; L824-F888 HydrophobicContact CD2-CG 3.86Å; L824-F888 HydrophobicContact CD2-CZ 4.02Å; L824-F888 HydrophobicContact CG-CD2 4.37Å; L824-F888 HydrophobicContact CG-CE2 4.07Å; L824-F888 HydrophobicContact CG-CZ 4.41Å; L824-A896 HydrophobicContact CD2-CB 4.1Å
825	Q	97.8	Very high	95	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	132.2	-175.6	-65.6	172.4	47.9	0	0	109.3	Y785 V801 M802 Q821 T846 L855 K858	Y785-Q825 PolarHBondContact OH-NE2 3.44Å; Y785-Q825 VanDerWaalsContact OH-NE2 3.17Å; V801-Q825 CarbonylContact C-O 3.39Å; V801-Q825 VanDerWaalsContact CA-O 3.32Å; V801-Q825 WeakPolarHBondContact CA-O 3.38Å; M802-Q825 HydrophobicContact CG-CB 3.96Å; M802-Q825 PolarHBondContact N-O 3.04Å; M802-Q825 PolarHBondContact O-N 2.78Å; Q821-Q825 PolarHBondContact O-NE2 2.68Å; Q825-T846 PolarHBondContact NE2-OG1 3.01Å; Q825-T846 PolarHBondContact OE1-OG1 2.73Å; Q825-L855 HydrophobicContact CB-CD1 4Å; Q825-L855 HydrophobicContact CG-CD1 4.22Å; Q825-K858 HydrophobicContact CG-CG 4.19Å
826	L	98.3	Very high	95	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	119.9	168.4	172	66.6	0	0	0	107.8	F790 V801 L856 W857 I884 V901	F790-L826 HydrophobicContact CE1-CD1 3.77Å; F790-L826 HydrophobicContact CZ-CD1 3.83Å; V801-L826 HydrophobicContact CG2-CD1 3.68Å; L826-L856 HydrophobicContact CD2-CB 4.19Å; L826-L856 HydrophobicContact CD2-CD1 4.29Å; L826-L856 HydrophobicContact CG-CB 4.14Å; L826-L856 HydrophobicContact CG-CD1 4.22Å; L826-L856 PolarHBondContact O-N 2.62Å; L826-W857 HydrophobicContact CB-CB 4.21Å; L826-W857 HydrophobicContact CB-CE3 4.33Å; L826-W857 HydrophobicContact CD2-CB 4.44Å; L826-W857 PolarHBondContact N-O 2.03Å; L826-W857 PolarHBondContact O-N 3.45Å; L826-I884 HydrophobicContact CD1-CG2 4.47Å; L826-I884 HydrophobicContact CD2-CG2 3.74Å; L826-V901 HydrophobicContact CD2-CB 4.37Å; L826-V901 HydrophobicContact CD2-CG1 4.18Å; L826-V901 HydrophobicContact CD2-CG2 4.23Å
827	K	98.3	Very high	94.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	148.5	-179.3	-53.4	-174.1	-170.4	175.6	0	111	Y799 V800 M802 L843 H845 V853 K854 L855	Y799-K827 WeakPolarHBondContact CA-O 3.5Å; V800-K827 HydrophobicContact CG1-CB 3.91Å; V800-K827 PolarHBondContact N-O 2.86Å; V800-K827 PolarHBondContact O-N 3.02Å; M802-K827 HydrophobicContact CE-CD 3.88Å; M802-K827 HydrophobicContact SD-CD 4.02Å; M802-K827 VanDerWaalsContact SD-CE 3.51Å; M802-K827 PolarHBondContact SD-NZ 3.46Å; M802-K827 VanDerWaalsContact SD-NZ 3.36Å; K827-L843 PolarHBondContact NZ-O 3.32Å; K827-H845 PolarHBondContact NZ-O 3.33Å; K827-V853 HydrophobicContact CB-CG1 3.7Å; K827-V853 HydrophobicContact CD-CG1 3.55Å; K827-V853 HydrophobicContact CG-CG1 4.15Å; K827-K854 CarbonylContact C-O 3.52Å; K827-K854 VanDerWaalsContact CA-O 3.22Å; K827-K854 WeakPolarHBondContact CA-O 3.25Å; K827-L855 HydrophobicContact CG-CD1 3.86Å
828	A	98.1	Very high	94.9	Very high	3 Å²	3	35.5 Å²	35.5	3%	0.025	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	124.3	164.8	0	0	0	0	0	108.2	Y799 V853 K854 L856 M906	Y799-A828 HydrophobicContact CD1-CB 3.77Å; Y799-A828 HydrophobicContact CE1-CB 3.63Å; A828-V853 WeakPolarHBondContact O-CA 3.49Å; A828-K854 PolarHBondContact N-O 3.28Å; A828-K854 PolarHBondContact O-N 3.46Å; A828-L856 HydrophobicContact CB-CD1 4.09Å; A828-L856 HydrophobicContact CB-CD2 4.22Å; A828-L856 HydrophobicContact CB-CG 4.17Å; A828-M906 HydrophobicContact CB-CE 4.24Å
829	V	98	Very high	94.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	121.5	173.6	-173.6	0	0	0	0	107.2	S796 S797 F798 V800 L839 L843 V853	S796-V829 CarbonylContact O-C 3.51Å; S796-V829 VanDerWaalsContact O-C 3.31Å; S797-V829 WeakPolarHBondContact CA-O 3.35Å; F798-V829 HydrophobicContact CD1-CB 4.08Å; F798-V829 HydrophobicContact CD1-CG1 4.25Å; F798-V829 HydrophobicContact CD2-CB 4.33Å; F798-V829 HydrophobicContact CD2-CG2 4.01Å; F798-V829 HydrophobicContact CE1-CB 3.95Å; F798-V829 HydrophobicContact CE1-CG1 3.78Å; F798-V829 HydrophobicContact CE1-CG2 4.16Å; F798-V829 HydrophobicContact CE2-CB 4.23Å; F798-V829 HydrophobicContact CE2-CG2 3.62Å; F798-V829 HydrophobicContact CG-CB 4.26Å; F798-V829 HydrophobicContact CG-CG2 4.44Å; F798-V829 HydrophobicContact CZ-CB 4.04Å; F798-V829 HydrophobicContact CZ-CG1 4.04Å; F798-V829 HydrophobicContact CZ-CG2 3.71Å; F798-V829 PolarHBondContact N-O 2.93Å; F798-V829 VanDerWaalsContact N-O 3.16Å; F798-V829 VanDerWaalsContact O-CB 3.29Å; F798-V829 WeakPolarHBondContact O-CB 3.45Å; F798-V829 PolarHBondContact O-N 3.5Å; V800-V829 HydrophobicContact CG1-CG2 3.93Å; V829-L839 HydrophobicContact CG1-CD1 3.55Å; V829-L843 HydrophobicContact CG2-CD2 3.85Å; V829-V853 HydrophobicContact CG1-CG2 4.26Å; V829-V853 HydrophobicContact CG2-CG1 4.44Å; V829-V853 HydrophobicContact CG2-CG2 4.17Å
830	K	95.9	Very high	94.9	Very high	99 Å²	99	33.6 Å²	33.6	43%	0.43	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	78.4	169.9	-164.1	68.5	175.9	179.3	0	107	S796 S797 E852 T905	S796-K830 CarbonylContact O-C 3.42Å; S796-K830 WeakPolarHBondContact O-CA 2.98Å; S796-K830 PolarHBondContact O-N 3.49Å; S797-K830 WeakPolarHBondContact OG-CD 3.48Å; S797-K830 WeakPolarHBondContact OG-CE 3.39Å; S797-K830 PolarHBondContact OG-NZ 3.47Å; K830-E852 CarbonylContact C-O 3.55Å; K830-E852 PolarHBondContact N-O 3.06Å; K830-T905 HydrophobicContact CB-CG2 3.89Å; K830-T905 HydrophobicContact CD-CG2 4.16Å; K830-T905 HydrophobicContact CG-CG2 4.03Å
831	S	95.9	Very high	94.9	Very high	15 Å²	15	33.6 Å²	33.6	11%	0.105	17%	0.169	C	C	.	.			trans	-80	139.3	-172.1	-178.4	0	0	0	0	112	S796 T833 G834 E852	S796-S831 PolarHBondContact O-N 3.05Å; S831-T833 PolarHBondContact OG-N 3.26Å; S831-T833 VanDerWaalsContact OG-N 3.11Å; S831-T833 PolarHBondContact OG-OG1 2.82Å; S831-G834 PolarHBondContact OG-N 3.27Å; S831-E852 VanDerWaalsContact CB-OE2 3.32Å; S831-E852 WeakPolarHBondContact CB-OE2 3.31Å; S831-E852 PolarHBondContact OG-OE2 3.32Å
832	Q	93.9	Very high	95	Very high	168 Å²	168	30.2 Å²	30.2	79%	0.785	15%	0.153	S	C	*	.	S	Bend	trans	-91	-17.2	169.8	-67.4	176.1	31.8	0	0	112.6	G851	Q832-G851 PolarHBondContact N-O 3.34Å
833	T	92.2	Very high	95.1	Very high	80 Å²	80	29 Å²	29	49%	0.491	15%	0.145	S	C	.	.	S	Bend	trans	-101.6	-24.5	-177.3	57.7	0	0	0	0	112.9	S831 Y838 E852	S831-T833 PolarHBondContact OG-N 3.26Å; S831-T833 VanDerWaalsContact OG-N 3.11Å; S831-T833 PolarHBondContact OG-OG1 2.82Å; T833-Y838 HydrophobicContact CG2-CG 4.36Å; T833-Y838 WeakPolarHBondContact OG1-CB 3.31Å; T833-E852 WeakPolarHBondContact CB-OE1 3.47Å; T833-E852 VanDerWaalsContact CG2-OE1 3.28Å; T833-E852 WeakPolarHBondContact CG2-OE1 3.16Å; T833-E852 VanDerWaalsContact OG1-CD 3.27Å; T833-E852 PolarHBondContact OG1-OE1 3.19Å; T833-E852 PolarHBondContact OG1-OE2 3.24Å
834	G	91.7	Very high	95.2	Very high	8 Å²	8	29 Å²	29	8%	0.082	15%	0.145	C	C	.	.			trans	76.2	-166.6	-174.2	0	0	0	0	0	113.3	S796 S831 G836 L839	S796-G834 VanDerWaalsContact OG-CA 3.29Å; S796-G834 WeakPolarHBondContact OG-CA 3.34Å; S831-G834 PolarHBondContact OG-N 3.27Å; G834-G836 PolarHBondContact O-N 3.05Å; G834-L839 WeakPolarHBondContact O-CB 3.23Å
835	P	93.1	Very high	95.3	Very high	30 Å²	30	31.3 Å²	31.3	20%	0.195	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	132.8	176.1	-29.9	37.7	0	0	0	113.2	S795	S795-P835 VanDerWaalsContact OG-CD 3.31Å; S795-P835 WeakPolarHBondContact OG-CD 3.13Å; S795-P835 WeakPolarHBondContact OG-CG 3.23Å
836	G	91.2	Very high	95.2	Very high	10 Å²	10	32 Å²	32	10%	0.103	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	145	-164.2	-179.8	0	0	0	0	0	114.2	L728 G834 Y838 L839 R840	L728-G836 PolarHBondContact O-N 3.22Å; G834-G836 PolarHBondContact O-N 3.05Å; G836-Y838 VanDerWaalsContact C-N 3.32Å; G836-Y838 PolarHBondContact O-N 3.24Å; G836-L839 PolarHBondContact O-N 2.65Å; G836-R840 VanDerWaalsContact O-CB 3.25Å; G836-R840 WeakPolarHBondContact O-CB 3.4Å; G836-R840 PolarHBondContact O-N 2.87Å
837	E	91.9	Very high	95.1	Very high	75 Å²	75	32.7 Å²	32.7	35%	0.35	17%	0.167	S	C	.	.	H	α-helix	trans	-62.7	-32	-168.4	63.8	168.1	178	0	0	114.6	P815 N841	P815-E837 WeakPolarHBondContact CD-O 3.05Å; P815-E837 HydrophobicContact CG-CG 4.16Å; E837-N841 PolarHBondContact O-N 2.85Å; E837-N841 PolarHBondContact O-OD1 3.27Å
838	Y	93.8	Very high	95	Very high	112 Å²	112	38 Å²	38	44%	0.439	20%	0.195	S	C	.	.	H	α-helix	trans	-72	-55.2	179.6	-83.1	-93.7	0	0	0	111.4	P815 T833 G836 R840 N841 A842	P815-Y838 HydrophobicContact CB-CD1 3.96Å; P815-Y838 HydrophobicContact CB-CD2 4.02Å; P815-Y838 HydrophobicContact CB-CE1 3.59Å; P815-Y838 HydrophobicContact CB-CE2 3.64Å; P815-Y838 HydrophobicContact CB-CG 4.16Å; P815-Y838 VanDerWaalsContact CB-CZ 3.42Å; P815-Y838 HydrophobicContact CG-CD1 3.62Å; P815-Y838 HydrophobicContact CG-CD2 3.71Å; P815-Y838 HydrophobicContact CG-CE1 3.82Å; P815-Y838 HydrophobicContact CG-CE2 3.89Å; P815-Y838 HydrophobicContact CG-CG 3.56Å; T833-Y838 HydrophobicContact CG2-CG 4.36Å; T833-Y838 WeakPolarHBondContact OG1-CB 3.31Å; G836-Y838 VanDerWaalsContact C-N 3.32Å; G836-Y838 PolarHBondContact O-N 3.24Å; Y838-R840 VanDerWaalsContact C-N 3.34Å; Y838-R840 PolarHBondContact O-N 3.19Å; Y838-N841 PolarHBondContact O-N 2.87Å; Y838-A842 WeakPolarHBondContact O-CB 3.49Å; Y838-A842 PolarHBondContact O-N 3.41Å
839	L	94.9	Very high	94.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-60.7	-43.6	178.8	177.6	55.3	0	0	0	111.2	L728 V829 G834 G836 N841 A842 L843 V853	L728-L839 HydrophobicContact CD2-CD2 4.29Å; V829-L839 HydrophobicContact CG1-CD1 3.55Å; G834-L839 WeakPolarHBondContact O-CB 3.23Å; G836-L839 PolarHBondContact O-N 2.65Å; L839-N841 PolarHBondContact O-N 3.11Å; L839-A842 WeakPolarHBondContact O-CB 3.29Å; L839-A842 PolarHBondContact O-N 2.94Å; L839-A842 VanDerWaalsContact O-N 3.14Å; L839-L843 HydrophobicContact CD1-CD1 4.06Å; L839-L843 HydrophobicContact CD1-CG 3.95Å; L839-L843 HydrophobicContact CG-CD1 3.94Å; L839-L843 HydrophobicContact CG-CG 4.33Å; L839-L843 WeakPolarHBondContact O-CB 3.42Å; L839-L843 WeakPolarHBondContact O-CG 3.34Å; L839-L843 PolarHBondContact O-N 2.79Å; L839-V853 HydrophobicContact CD1-CG2 3.85Å
840	R	94.4	Very high	94.7	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.015	24%	0.244	C	C	.	.	H	α-helix	trans	-53.7	-53.2	174.7	176.8	-164.5	73.8	-158.8	-3.2	112.8	D729 P757 Y810 V814 G836 Y838 A842 L843 W844 F916	D729-R840 HydrophobicContact CB-CB 4.34Å; D729-R840 HydrophobicContact CB-CG 4.4Å; D729-R840 IonicContact OD1-NH1 3.57Å; D729-R840 WeakPolarHBondContact OD2-CD 3.02Å; D729-R840 IonicContact OD2-CZ 2.67Å; D729-R840 IonicContact OD2-NE 3.54Å; D729-R840 IonicContact OD2-NH1 3.66Å; D729-R840 PolarHBondContact OD2-NH1 3.31Å; P757-R840 HydrophobicContact CG-CG 4.22Å; Y810-R840 HydrophobicContact CE1-CG 4.46Å; Y810-R840 WeakPolarHBondContact OH-CD 3.37Å; V814-R840 PolarHBondContact O-NH2 2.93Å; G836-R840 VanDerWaalsContact O-CB 3.25Å; G836-R840 WeakPolarHBondContact O-CB 3.4Å; G836-R840 PolarHBondContact O-N 2.87Å; Y838-R840 VanDerWaalsContact C-N 3.34Å; Y838-R840 PolarHBondContact O-N 3.19Å; R840-A842 VanDerWaalsContact C-N 3.27Å; R840-A842 PolarHBondContact O-N 2.84Å; R840-L843 PolarHBondContact O-N 3.26Å; R840-W844 PolarHBondContact O-N 2.83Å; R840-F916 HydrophobicContact CG-CE1 4.05Å; R840-F916 HydrophobicContact CG-CE2 4.41Å; R840-F916 HydrophobicContact CG-CZ 3.5Å
841	N	94.6	Very high	94.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-66.3	-33	-179.9	-76	30.6	0	0	0	111.4	Q812 V814 F816 A818 E837 Y838 L839 W844 H845	Q812-N841 PolarHBondContact O-ND2 3.16Å; V814-N841 PolarHBondContact O-ND2 3.22Å; F816-N841 HydrophobicContact CD1-CB 4.32Å; F816-N841 HydrophobicContact CE1-CB 3.77Å; F816-N841 HydrophobicContact CE2-CB 4.22Å; F816-N841 HydrophobicContact CZ-CB 3.73Å; F816-N841 PolarHBondContact O-ND2 3.4Å; A818-N841 HydrophobicContact CB-CB 4.08Å; A818-N841 WeakPolarHBondContact CB-O 3.49Å; E837-N841 PolarHBondContact O-N 2.85Å; E837-N841 PolarHBondContact O-OD1 3.27Å; Y838-N841 PolarHBondContact O-N 2.87Å; L839-N841 PolarHBondContact O-N 3.11Å; N841-W844 PolarHBondContact O-N 2.97Å; N841-H845 WeakPolarHBondContact O-CB 3.44Å; N841-H845 PolarHBondContact O-N 3.46Å
842	A	96.8	Very high	94.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-66.8	-41.9	175.6	0	0	0	0	0	112.4	F816 Y838 L839 R840 H845 T849 E852 V853	F816-A842 HydrophobicContact CZ-CB 4.25Å; Y838-A842 WeakPolarHBondContact O-CB 3.49Å; Y838-A842 PolarHBondContact O-N 3.41Å; L839-A842 WeakPolarHBondContact O-CB 3.29Å; L839-A842 PolarHBondContact O-N 2.94Å; L839-A842 VanDerWaalsContact O-N 3.14Å; R840-A842 VanDerWaalsContact C-N 3.27Å; R840-A842 PolarHBondContact O-N 2.84Å; A842-H845 PolarHBondContact O-N 2.9Å; A842-T849 HydrophobicContact CB-CG2 3.83Å; A842-E852 HydrophobicContact CB-CB 3.61Å; A842-E852 HydrophobicContact CB-CG 4.28Å; A842-V853 HydrophobicContact CB-CB 4.1Å; A842-V853 HydrophobicContact CB-CG2 3.63Å
843	L	96.7	Very high	94.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.2	-43.4	174.6	-73.6	168.3	0	0	0	111.2	L728 V800 M802 K827 V829 L839 R840 H845 V853 F916	L728-L843 HydrophobicContact CD1-CD1 3.77Å; V800-L843 HydrophobicContact CG1-CD2 4.27Å; M802-L843 HydrophobicContact CE-CD2 3.88Å; M802-L843 VanDerWaalsContact SD-O 3.38Å; K827-L843 PolarHBondContact NZ-O 3.32Å; V829-L843 HydrophobicContact CG2-CD2 3.85Å; L839-L843 HydrophobicContact CD1-CD1 4.06Å; L839-L843 HydrophobicContact CD1-CG 3.95Å; L839-L843 HydrophobicContact CG-CD1 3.94Å; L839-L843 HydrophobicContact CG-CG 4.33Å; L839-L843 WeakPolarHBondContact O-CB 3.42Å; L839-L843 WeakPolarHBondContact O-CG 3.34Å; L839-L843 PolarHBondContact O-N 2.79Å; R840-L843 PolarHBondContact O-N 3.26Å; L843-H845 VanDerWaalsContact C-N 3.35Å; L843-H845 PolarHBondContact O-N 3.15Å; L843-V853 HydrophobicContact CD2-CG2 4.31Å; L843-V853 HydrophobicContact CG-CG2 4.46Å; L843-F916 HydrophobicContact CB-CE1 4.48Å
844	W	96.2	Very high	95.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-65.4	-37	175.3	-169.2	-78.2	0	0	0	112.6	D784 Y785 Q808 Y810 W811 A818 A820 R840 N841 T846 F916	D784-W844 WeakPolarHBondContact OD1-CH2 3.35Å; Y785-W844 HydrophobicContact CD2-CD2 4.37Å; Y785-W844 HydrophobicContact CD2-CE3 4.11Å; Y785-W844 HydrophobicContact CD2-CZ3 4.46Å; Y785-W844 HydrophobicContact CE2-CD2 4.22Å; Y785-W844 HydrophobicContact CE2-CE3 4.42Å; Y785-W844 HydrophobicContact CE2-CG 4.37Å; Y785-W844 PolarHBondContact OH-O 2.79Å; Q808-W844 HydrophobicContact CB-CZ2 4.2Å; Q808-W844 HydrophobicContact CG-CZ2 4Å; Q808-W844 PolarHBondContact O-NE1 2.88Å; Q808-W844 VanDerWaalsContact O-NE1 3.08Å; Y810-W844 AromaticContact CD2-CD2 3.45Å; Y810-W844 HydrophobicContact CD2-CD2 3.45Å; Y810-W844 VanDerWaalsContact CD2-CD2 3.45Å; Y810-W844 AromaticContact CD2-CE2 3.78Å; Y810-W844 AromaticContact CD2-CE3 3.45Å; Y810-W844 HydrophobicContact CD2-CE3 3.45Å; Y810-W844 VanDerWaalsContact CD2-CE3 3.45Å; Y810-W844 AromaticContact CD2-CG 3.99Å; Y810-W844 HydrophobicContact CD2-CG 3.99Å; Y810-W844 HydrophobicContact CD2-CH2 4.02Å; Y810-W844 HydrophobicContact CD2-CZ2 4.06Å; Y810-W844 AromaticContact CD2-CZ3 3.74Å; Y810-W844 HydrophobicContact CD2-CZ3 3.74Å; Y810-W844 HydrophobicContact CE2-CD2 4.29Å; Y810-W844 AromaticContact CE2-CE3 3.85Å; Y810-W844 HydrophobicContact CE2-CE3 3.85Å; Y810-W844 AromaticContact CE2-CZ3 3.96Å; Y810-W844 HydrophobicContact CE2-CZ3 3.96Å; Y810-W844 HydrophobicContact CG-CD2 4.07Å; Y810-W844 HydrophobicContact CG-CE3 4.44Å; Y810-W844 HydrophobicContact CG-CG 4.14Å; W811-W844 AromaticContact CZ3-CH2 3.92Å; W811-W844 HydrophobicContact CZ3-CH2 3.92Å; W811-W844 HydrophobicContact CZ3-CZ3 4.23Å; A818-W844 HydrophobicContact CB-CB 4.08Å; A818-W844 HydrophobicContact CB-CG 4.3Å; A820-W844 HydrophobicContact CB-CG 4.36Å; A820-W844 VanDerWaalsContact CB-NE1 3.32Å; A820-W844 WeakPolarHBondContact CB-O 3.31Å; R840-W844 PolarHBondContact O-N 2.83Å; N841-W844 PolarHBondContact O-N 2.97Å; W844-T846 PolarHBondContact O-N 2.84Å; W844-F916 HydrophobicContact CB-CE1 4.1Å; W844-F916 HydrophobicContact CE3-CD1 4.08Å; W844-F916 HydrophobicContact CE3-CD2 4.28Å; W844-F916 AromaticContact CE3-CE1 3.74Å; W844-F916 HydrophobicContact CE3-CE1 3.74Å; W844-F916 AromaticContact CE3-CE2 3.91Å; W844-F916 HydrophobicContact CE3-CE2 3.91Å; W844-F916 HydrophobicContact CE3-CG 4.35Å; W844-F916 AromaticContact CE3-CZ 3.63Å; W844-F916 HydrophobicContact CE3-CZ 3.63Å; W844-F916 HydrophobicContact CZ3-CD2 4.25Å; W844-F916 HydrophobicContact CZ3-CE2 4.07Å; W844-F916 HydrophobicContact CZ3-CZ 4.25Å
845	H	97.3	Very high	95.4	Very high	52 Å²	52	38 Å²	38	24%	0.241	20%	0.198	C	C	.	.	S	Bend	trans	-70.1	128.8	-174.1	-172.5	37.8	0	0	0	112.4	F816 A818 T819 K827 N841 A842 L843 G847	F816-H845 HydrophobicContact CE2-CB 4.2Å; A818-H845 HydrophobicContact CB-CB 3.98Å; T819-H845 PolarHBondContact N-ND1 3.25Å; T819-H845 PolarHBondContact O-ND1 2.88Å; K827-H845 PolarHBondContact NZ-O 3.33Å; N841-H845 WeakPolarHBondContact O-CB 3.44Å; N841-H845 PolarHBondContact O-N 3.46Å; A842-H845 PolarHBondContact O-N 2.9Å; L843-H845 VanDerWaalsContact C-N 3.35Å; L843-H845 PolarHBondContact O-N 3.15Å; H845-G847 PolarHBondContact O-N 2.52Å
846	T	96.4	Very high	95.6	Very high	16 Å²	16	38.2 Å²	38.2	10%	0.098	20%	0.197	C	C	.	.	S	Bend	trans	-80.3	94.4	169.8	-55.2	0	0	0	0	110.6	T819 A820 Q821 Q825 W844 K858	T819-T846 PolarHBondContact O-N 3.27Å; A820-T846 WeakPolarHBondContact CA-OG1 3.44Å; Q821-T846 HydrophobicContact CB-CG2 4.15Å; Q821-T846 HydrophobicContact CG-CG2 4.39Å; Q821-T846 PolarHBondContact N-OG1 3.5Å; Q825-T846 PolarHBondContact NE2-OG1 3.01Å; Q825-T846 PolarHBondContact OE1-OG1 2.73Å; W844-T846 PolarHBondContact O-N 2.84Å; T846-K858 HydrophobicContact CG2-CD 3.81Å
847	G	94.8	Very high	95.9	Very high	14 Å²	14	39.7 Å²	39.7	14%	0.144	20%	0.2	C	C	.	.	S	Bend	trans	152.1	-174.4	178.6	0	0	0	0	0	111.8	H845	H845-G847 PolarHBondContact O-N 2.52Å
848	D	96.7	Very high	96.1	Very high	111 Å²	111	38.3 Å²	38.3	59%	0.594	19%	0.192	S	C	*	.			trans	-80.3	134.6	175.2	-59.8	-21.4	0	0	0	110.5	L855	D848-L855 PolarHBondContact OD1-N 3.17Å
849	T	96.5	Very high	96.2	Very high	21 Å²	21	33.1 Å²	33.1	13%	0.129	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-118.4	114.2	168.8	-53.9	0	0	0	0	108.1	F816 A842 G851 E852 V853	F816-T849 HydrophobicContact CE1-CG2 3.81Å; F816-T849 HydrophobicContact CE2-CG2 4.45Å; F816-T849 HydrophobicContact CZ-CG2 3.61Å; A842-T849 HydrophobicContact CB-CG2 3.83Å; T849-G851 PolarHBondContact O-N 2.86Å; T849-E852 HydrophobicContact CG2-CB 3.93Å; T849-E852 HydrophobicContact CG2-CG 4.07Å; T849-E852 PolarHBondContact O-N 2.78Å; T849-V853 PolarHBondContact N-O 3.25Å; T849-V853 PolarHBondContact O-N 3.19Å; T849-V853 VanDerWaalsContact O-N 3.1Å
850	L	94.6	Very high	96.2	Very high	178 Å²	178	38.3 Å²	38.3	93%	0.932	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	124.1	-172.6	-176.9	69.9	0	0	0	111.5	E852	L850-E852 VanDerWaalsContact C-N 3.26Å; L850-E852 PolarHBondContact O-N 2.04Å
851	G	93.9	Very high	96.1	Very high	18 Å²	18	43.8 Å²	43.8	19%	0.186	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	6.4	179	0	0	0	0	0	114.8	Q832 T849	Q832-G851 PolarHBondContact N-O 3.34Å; T849-G851 PolarHBondContact O-N 2.86Å
852	E	96.3	Very high	96	Very high	11 Å²	11	47.3 Å²	47.3	5%	0.051	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.5	-69.7	-178.6	-64.3	-60.8	151.1	0	0	111.5	K830 S831 T833 A842 T849 L850	K830-E852 CarbonylContact C-O 3.55Å; K830-E852 PolarHBondContact N-O 3.06Å; S831-E852 VanDerWaalsContact CB-OE2 3.32Å; S831-E852 WeakPolarHBondContact CB-OE2 3.31Å; S831-E852 PolarHBondContact OG-OE2 3.32Å; T833-E852 WeakPolarHBondContact CB-OE1 3.47Å; T833-E852 VanDerWaalsContact CG2-OE1 3.28Å; T833-E852 WeakPolarHBondContact CG2-OE1 3.16Å; T833-E852 VanDerWaalsContact OG1-CD 3.27Å; T833-E852 PolarHBondContact OG1-OE1 3.19Å; T833-E852 PolarHBondContact OG1-OE2 3.24Å; A842-E852 HydrophobicContact CB-CB 3.61Å; A842-E852 HydrophobicContact CB-CG 4.28Å; T849-E852 HydrophobicContact CG2-CB 3.93Å; T849-E852 HydrophobicContact CG2-CG 4.07Å; T849-E852 PolarHBondContact O-N 2.78Å; L850-E852 VanDerWaalsContact C-N 3.26Å; L850-E852 PolarHBondContact O-N 2.04Å
853	V	97.8	Very high	95.9	Very high	5 Å²	5	49.1 Å²	49.1	3%	0.03	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	136.7	-169.5	-177.8	0	0	0	0	110.3	K827 A828 V829 L839 A842 L843 T849	K827-V853 HydrophobicContact CB-CG1 3.7Å; K827-V853 HydrophobicContact CD-CG1 3.55Å; K827-V853 HydrophobicContact CG-CG1 4.15Å; A828-V853 WeakPolarHBondContact O-CA 3.49Å; V829-V853 HydrophobicContact CG1-CG2 4.26Å; V829-V853 HydrophobicContact CG2-CG1 4.44Å; V829-V853 HydrophobicContact CG2-CG2 4.17Å; L839-V853 HydrophobicContact CD1-CG2 3.85Å; A842-V853 HydrophobicContact CB-CB 4.1Å; A842-V853 HydrophobicContact CB-CG2 3.63Å; L843-V853 HydrophobicContact CD2-CG2 4.31Å; L843-V853 HydrophobicContact CG-CG2 4.46Å; T849-V853 PolarHBondContact N-O 3.25Å; T849-V853 PolarHBondContact O-N 3.19Å; T849-V853 VanDerWaalsContact O-N 3.1Å
854	K	97.9	Very high	95.8	Very high	101 Å²	101	50 Å²	50	44%	0.439	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	128.3	177	-179.4	-173.8	168.5	-156.8	0	110	K827 A828 L856 D903	K827-K854 CarbonylContact C-O 3.52Å; K827-K854 VanDerWaalsContact CA-O 3.22Å; K827-K854 WeakPolarHBondContact CA-O 3.25Å; A828-K854 PolarHBondContact N-O 3.28Å; A828-K854 PolarHBondContact O-N 3.46Å; K854-L856 HydrophobicContact CD-CD2 3.94Å; K854-L856 HydrophobicContact CG-CD2 4.15Å; K854-L856 PolarHBondContact O-N 3.44Å; K854-D903 IonicContact NZ-OD2 3.84Å; K854-D903 PolarHBondContact NZ-OD2 3.47Å
855	L	97.6	Very high	95.7	Very high	40 Å²	40	50.2 Å²	50.2	21%	0.209	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	108.3	175.6	-178.6	67.9	0	0	0	109.4	Q825 K827 D848 W857 K858	Q825-L855 HydrophobicContact CB-CD1 4Å; Q825-L855 HydrophobicContact CG-CD1 4.22Å; K827-L855 HydrophobicContact CG-CD1 3.86Å; D848-L855 PolarHBondContact OD1-N 3.17Å; L855-W857 WeakPolarHBondContact CD1-O 3.35Å; L855-K858 HydrophobicContact CD1-CB 4.4Å; L855-K858 HydrophobicContact CD2-CB 4.2Å
856	L	97.4	Very high	95.7	Very high	35 Å²	35	52.7 Å²	52.7	18%	0.183	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-42.2	-179.7	-57.7	-176.8	0	0	0	111.8	Y799 L826 A828 K854 I884 V901 D903	Y799-L856 HydrophobicContact CD1-CD1 3.97Å; Y799-L856 HydrophobicContact CE1-CD1 3.83Å; L826-L856 HydrophobicContact CD2-CB 4.19Å; L826-L856 HydrophobicContact CD2-CD1 4.29Å; L826-L856 HydrophobicContact CG-CB 4.14Å; L826-L856 HydrophobicContact CG-CD1 4.22Å; L826-L856 PolarHBondContact O-N 2.62Å; A828-L856 HydrophobicContact CB-CD1 4.09Å; A828-L856 HydrophobicContact CB-CD2 4.22Å; A828-L856 HydrophobicContact CB-CG 4.17Å; K854-L856 HydrophobicContact CD-CD2 3.94Å; K854-L856 HydrophobicContact CG-CD2 4.15Å; K854-L856 PolarHBondContact O-N 3.44Å; L856-I884 HydrophobicContact CD1-CD1 4.26Å; L856-V901 HydrophobicContact CB-CG1 4Å; L856-V901 HydrophobicContact CD1-CG1 4.27Å; L856-D903 HydrophobicContact CD1-CB 3.85Å; L856-D903 HydrophobicContact CD2-CB 4.2Å; L856-D903 WeakPolarHBondContact CD2-OD2 3.41Å
857	W	97.7	Very high	95.6	Very high	41 Å²	41	54.8 Å²	54.8	16%	0.155	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	150.9	-179.8	175.4	92.3	0	0	0	111.2	L824 L826 L855 D859 A896 S898 V901	L824-W857 HydrophobicContact CB-CH2 4.41Å; L824-W857 HydrophobicContact CB-CZ3 4.05Å; L824-W857 HydrophobicContact CD2-CH2 3.97Å; L824-W857 HydrophobicContact CD2-CZ3 3.67Å; L824-W857 HydrophobicContact CG-CH2 4.47Å; L824-W857 HydrophobicContact CG-CZ3 3.85Å; L826-W857 HydrophobicContact CB-CB 4.21Å; L826-W857 HydrophobicContact CB-CE3 4.33Å; L826-W857 HydrophobicContact CD2-CB 4.44Å; L826-W857 PolarHBondContact N-O 2.03Å; L826-W857 PolarHBondContact O-N 3.45Å; L855-W857 WeakPolarHBondContact CD1-O 3.35Å; W857-D859 HydrophobicContact CH2-CB 3.69Å; W857-D859 HydrophobicContact CZ2-CB 4.14Å; W857-D859 HydrophobicContact CZ3-CB 4.35Å; W857-A896 HydrophobicContact CH2-CB 4.18Å; W857-S898 VanDerWaalsContact CE2-CA 3.5Å; W857-V901 HydrophobicContact CB-CG2 4.11Å
858	K	96.4	Very high	95.6	Very high	45 Å²	45	59.5 Å²	59.5	20%	0.196	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	138	175.3	179.5	-173.8	173.3	-156.8	0	109.4	A823 L824 Q825 T846 L855 P860 N862	A823-K858 HydrophobicContact CB-CD 4.15Å; A823-K858 HydrophobicContact CB-CG 3.66Å; L824-K858 WeakPolarHBondContact O-CA 3.43Å; Q825-K858 HydrophobicContact CG-CG 4.19Å; T846-K858 HydrophobicContact CG2-CD 3.81Å; L855-K858 HydrophobicContact CD1-CB 4.4Å; L855-K858 HydrophobicContact CD2-CB 4.2Å; K858-P860 WeakPolarHBondContact O-CD 3.12Å; K858-N862 WeakPolarHBondContact CE-OD1 3.46Å; K858-N862 PolarHBondContact NZ-OD1 3.01Å
859	D	96	Very high	95.6	Very high	4 Å²	4	55.8 Å²	55.8	2%	0.021	29%	0.289	C	S	.	.			trans	-59.2	118.8	175.5	-177.8	0.2	0	0	0	111.1	A823 L824 W857 R861 N862	A823-D859 HydrophobicContact CB-CB 4.41Å; L824-D859 HydrophobicContact CB-CB 4.14Å; L824-D859 PolarHBondContact O-N 3.19Å; W857-D859 HydrophobicContact CH2-CB 3.69Å; W857-D859 HydrophobicContact CZ2-CB 4.14Å; W857-D859 HydrophobicContact CZ3-CB 4.35Å; D859-R861 PolarHBondContact O-N 3.12Å; D859-R861 VanDerWaalsContact O-N 3.16Å; D859-R861 WeakPolarHBondContact OD1-CB 3.31Å; D859-R861 WeakPolarHBondContact OD1-CG 3.25Å; D859-R861 PolarHBondContact OD1-N 3.14Å; D859-R861 IonicContact OD1-NE 2.95Å; D859-R861 PolarHBondContact OD1-NE 3.36Å; D859-R861 VanDerWaalsContact OD1-NE 3.11Å; D859-R861 IonicContact OD2-CZ 3.27Å; D859-R861 VanDerWaalsContact OD2-CZ 3.25Å; D859-R861 IonicContact OD2-NE 2.85Å; D859-R861 PolarHBondContact OD2-NE 3.46Å; D859-R861 IonicContact OD2-NH2 2.71Å; D859-R861 PolarHBondContact OD2-NH2 3.09Å; D859-N862 PolarHBondContact O-N 3.12Å
860	P	93.6	Very high	95.6	Very high	108 Å²	108	55.2 Å²	55.2	70%	0.701	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-18.1	-179.5	26.8	-36.2	0	0	0	113.7	K858 N862	K858-P860 WeakPolarHBondContact O-CD 3.12Å; P860-N862 VanDerWaalsContact C-N 3.28Å; P860-N862 PolarHBondContact O-N 3.45Å; P860-N862 PolarHBondContact O-ND2 3.06Å
861	R	92.6	Very high	95.7	Very high	119 Å²	119	46.9 Å²	46.9	45%	0.449	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-21.1	-179.7	-58.8	174.9	-58.3	151.9	10.3	112.8	D859 A863 V895	D859-R861 PolarHBondContact O-N 3.12Å; D859-R861 VanDerWaalsContact O-N 3.16Å; D859-R861 WeakPolarHBondContact OD1-CB 3.31Å; D859-R861 WeakPolarHBondContact OD1-CG 3.25Å; D859-R861 PolarHBondContact OD1-N 3.14Å; D859-R861 IonicContact OD1-NE 2.95Å; D859-R861 PolarHBondContact OD1-NE 3.36Å; D859-R861 VanDerWaalsContact OD1-NE 3.11Å; D859-R861 IonicContact OD2-CZ 3.27Å; D859-R861 VanDerWaalsContact OD2-CZ 3.25Å; D859-R861 IonicContact OD2-NE 2.85Å; D859-R861 PolarHBondContact OD2-NE 3.46Å; D859-R861 IonicContact OD2-NH2 2.71Å; D859-R861 PolarHBondContact OD2-NH2 3.09Å; R861-A863 HydrophobicContact CB-CB 4.5Å; R861-A863 PolarHBondContact O-N 2.87Å; R861-V895 VanDerWaalsContact CZ-C 3.49Å; R861-V895 PolarHBondContact NE-O 2.96Å; R861-V895 PolarHBondContact NH1-O 3.41Å; R861-V895 PolarHBondContact NH2-O 2.81Å
862	N	93.2	Very high	95.8	Very high	74 Å²	74	46.8 Å²	46.8	40%	0.396	24%	0.236	S	C	.	.			trans	51.1	41.2	-173.4	-57.3	-70.5	0	0	0	113.1	P822 K858 D859 P860	P822-N862 CarbonylContact O-C 3.58Å; P822-N862 WeakPolarHBondContact O-CA 3.45Å; P822-N862 WeakPolarHBondContact O-CB 3.4Å; K858-N862 WeakPolarHBondContact CE-OD1 3.46Å; K858-N862 PolarHBondContact NZ-OD1 3.01Å; D859-N862 PolarHBondContact O-N 3.12Å; P860-N862 VanDerWaalsContact C-N 3.28Å; P860-N862 PolarHBondContact O-N 3.45Å; P860-N862 PolarHBondContact O-ND2 3.06Å
863	A	94.1	Very high	95.9	Very high	38 Å²	38	46.3 Å²	46.3	31%	0.314	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-91.9	130.6	175.3	0	0	0	0	0	109.5	W803 R861	W803-A863 PolarHBondContact NE1-O 3.12Å; R861-A863 HydrophobicContact CB-CB 4.5Å; R861-A863 PolarHBondContact O-N 2.87Å
864	G	94.5	Very high	95.9	Very high	19 Å²	19	48.4 Å²	48.4	20%	0.196	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-81.1	165.9	166.7	0	0	0	0	0	112	K804 Q805	K804-G864 VanDerWaalsContact O-CA 3.25Å; K804-G864 WeakPolarHBondContact O-CA 3.4Å; Q805-G864 WeakPolarHBondContact O-CA 3.35Å
865	W	95.4	Very high	95.9	Very high	5 Å²	5	43.7 Å²	43.7	2%	0.019	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-67.7	157.6	170.7	50.2	-102	0	0	0	111.1	F775 V777 D784 W803 Q805 Y871	F775-W865 HydrophobicContact CE1-CB 3.9Å; F775-W865 HydrophobicContact CE1-CG 4.01Å; F775-W865 HydrophobicContact CZ-CG 4.26Å; V777-W865 HydrophobicContact CB-CE3 4.36Å; V777-W865 HydrophobicContact CB-CZ3 4.12Å; V777-W865 HydrophobicContact CG1-CH2 4.13Å; V777-W865 HydrophobicContact CG1-CZ3 4.07Å; V777-W865 HydrophobicContact CG2-CD2 4.38Å; V777-W865 HydrophobicContact CG2-CE3 4.22Å; V777-W865 HydrophobicContact CG2-CH2 4.42Å; V777-W865 HydrophobicContact CG2-CZ3 4.25Å; D784-W865 WeakPolarHBondContact O-CZ2 3.48Å; D784-W865 PolarHBondContact O-NE1 2.87Å; W803-W865 HydrophobicContact CD2-CB 3.85Å; W803-W865 AromaticContact CD2-CD1 3.96Å; W803-W865 HydrophobicContact CD2-CG 4.34Å; W803-W865 HydrophobicContact CE3-CB 3.76Å; W803-W865 HydrophobicContact CE3-CG 4.47Å; W803-W865 AromaticContact CG-CD1 3.78Å; W803-W865 HydrophobicContact CH2-CB 3.92Å; W803-W865 HydrophobicContact CZ2-CB 4.01Å; W803-W865 HydrophobicContact CZ3-CB 3.79Å; W803-W865 PolarHBondContact O-NE1 3.09Å; W803-W865 VanDerWaalsContact O-NE1 3.11Å; Q805-W865 HydrophobicContact CB-CD2 3.69Å; Q805-W865 VanDerWaalsContact CB-CE2 3.49Å; Q805-W865 HydrophobicContact CB-CE3 3.98Å; Q805-W865 HydrophobicContact CB-CG 4.29Å; Q805-W865 HydrophobicContact CB-CH2 3.85Å; Q805-W865 HydrophobicContact CB-CZ2 3.58Å; Q805-W865 HydrophobicContact CB-CZ3 4.05Å; Q805-W865 HydrophobicContact CG-CD2 4.48Å; Q805-W865 HydrophobicContact CG-CE3 4.36Å; Q805-W865 HydrophobicContact CG-CZ3 4.39Å; Q805-W865 VanDerWaalsContact CG-O 3.31Å; Q805-W865 WeakPolarHBondContact CG-O 3.46Å; Q805-W865 PolarHBondContact NE2-O 3.33Å; Q805-W865 VanDerWaalsContact NE2-O 3.12Å; W865-Y871 HydrophobicContact CB-CE2 4.07Å
866	K	95.6	Very high	95.9	Very high	103 Å²	103	42.8 Å²	42.8	45%	0.448	22%	0.22	S	C	.	.			trans	-105.7	146.1	178.5	-62.4	169.7	-167.6	157.9	0	110.3	T869 Y871 E890	K866-T869 HydrophobicContact CB-CG2 4.46Å; K866-T869 WeakPolarHBondContact CB-OG1 3.43Å; K866-T869 WeakPolarHBondContact O-CB 3.44Å; K866-T869 PolarHBondContact O-N 2.91Å; K866-Y871 WeakPolarHBondContact CB-OH 3.37Å; K866-Y871 WeakPolarHBondContact CG-OH 3.07Å; K866-Y871 PolarHBondContact N-OH 2.77Å; K866-Y871 VanDerWaalsContact N-OH 3.1Å; K866-E890 VanDerWaalsContact NZ-CD 3.31Å; K866-E890 IonicContact NZ-OE1 2.61Å; K866-E890 PolarHBondContact NZ-OE1 3.44Å; K866-E890 IonicContact NZ-OE2 3.65Å; K866-E890 PolarHBondContact NZ-OE2 3.46Å; K866-E890 VanDerWaalsContact NZ-OE2 3.12Å
867	D	95.5	Very high	95.8	Very high	61 Å²	61	41.2 Å²	41.2	33%	0.326	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	140.4	176.2	-50.8	-22.9	0	0	0	111.2	V780 Q805 T869	V780-D867 HydrophobicContact CG1-CB 3.98Å; Q805-D867 PolarHBondContact NE2-OD1 2.92Å; D867-T869 PolarHBondContact O-N 2.83Å; D867-T869 PolarHBondContact O-OG1 2.83Å
868	K	94.5	Very high	95.8	Very high	113 Å²	113	39.4 Å²	39.4	49%	0.491	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	38.7	175.5	-58.7	-174.3	172.3	-98.3	0	113.4	H776 V777 N778	H776-K868 VanDerWaalsContact CE1-C 3.41Å; V777-K868 WeakPolarHBondContact O-CA 3.29Å; V777-K868 PolarHBondContact O-N 3.5Å; N778-K868 PolarHBondContact O-NZ 2.69Å; N778-K868 PolarHBondContact OD1-NZ 2.94Å
869	T	95.8	Very high	95.6	Very high	32 Å²	32	37.4 Å²	37.4	20%	0.196	20%	0.197	C	C	.	.			trans	-122.2	129.1	-180	-56	0	0	0	0	108.6	K866 D867 Y871 E890	K866-T869 HydrophobicContact CB-CG2 4.46Å; K866-T869 WeakPolarHBondContact CB-OG1 3.43Å; K866-T869 WeakPolarHBondContact O-CB 3.44Å; K866-T869 PolarHBondContact O-N 2.91Å; D867-T869 PolarHBondContact O-N 2.83Å; D867-T869 PolarHBondContact O-OG1 2.83Å; T869-Y871 HydrophobicContact CG2-CE1 4.23Å; T869-Y871 HydrophobicContact CG2-CE2 3.79Å; T869-Y871 VanDerWaalsContact O-CD2 3.31Å; T869-Y871 WeakPolarHBondContact O-CD2 3.34Å; T869-Y871 WeakPolarHBondContact O-CE2 3.48Å; T869-E890 HydrophobicContact CG2-CG 4.1Å
870	S	96.4	Very high	95.3	Very high	9 Å²	9	41.1 Å²	41.1	6%	0.063	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	138.6	178.6	-60.9	0	0	0	0	112.1	D458 P485 H776	D458-S870 WeakPolarHBondContact CA-OG 3.37Å; D458-S870 WeakPolarHBondContact O-CB 3.02Å; D458-S870 PolarHBondContact O-OG 2.77Å; P485-S870 WeakPolarHBondContact CG-OG 3.35Å; H776-S870 PolarHBondContact ND1-OG 3.31Å
871	Y	97	Very high	95.1	Very high	3 Å²	3	38.1 Å²	38.1	1%	0.012	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	132	176.5	-59.6	-86.9	0	0	0	110.1	T774 F775 W803 W865 K866 T869 F889 E890	T774-Y871 CarbonylContact C-O 3.5Å; T774-Y871 WeakPolarHBondContact CA-O 3.28Å; F775-Y871 AromaticContact CD1-CD2 3.87Å; F775-Y871 HydrophobicContact CD1-CD2 3.87Å; F775-Y871 HydrophobicContact CD1-CG 4.48Å; F775-Y871 HydrophobicContact CE1-CD2 4.33Å; F775-Y871 PolarHBondContact N-O 2.63Å; F775-Y871 PolarHBondContact O-N 2.97Å; W803-Y871 AromaticContact CH2-CD1 3.73Å; W803-Y871 HydrophobicContact CH2-CD1 3.73Å; W803-Y871 HydrophobicContact CH2-CD2 4.19Å; W803-Y871 AromaticContact CH2-CE1 3.55Å; W803-Y871 HydrophobicContact CH2-CE1 3.55Å; W803-Y871 HydrophobicContact CH2-CE2 4.01Å; W803-Y871 HydrophobicContact CH2-CG 4.04Å; W803-Y871 AromaticContact CH2-CZ 3.68Å; W803-Y871 AromaticContact CZ3-CD1 3.82Å; W803-Y871 HydrophobicContact CZ3-CD1 3.82Å; W803-Y871 AromaticContact CZ3-CD2 3.73Å; W803-Y871 HydrophobicContact CZ3-CD2 3.73Å; W803-Y871 HydrophobicContact CZ3-CE1 4.04Å; W803-Y871 AromaticContact CZ3-CE2 3.94Å; W803-Y871 HydrophobicContact CZ3-CE2 3.94Å; W803-Y871 AromaticContact CZ3-CG 3.65Å; W803-Y871 HydrophobicContact CZ3-CG 3.65Å; W865-Y871 HydrophobicContact CB-CE2 4.07Å; K866-Y871 WeakPolarHBondContact CB-OH 3.37Å; K866-Y871 WeakPolarHBondContact CG-OH 3.07Å; K866-Y871 PolarHBondContact N-OH 2.77Å; K866-Y871 VanDerWaalsContact N-OH 3.1Å; T869-Y871 HydrophobicContact CG2-CE1 4.23Å; T869-Y871 HydrophobicContact CG2-CE2 3.79Å; T869-Y871 VanDerWaalsContact O-CD2 3.31Å; T869-Y871 WeakPolarHBondContact O-CD2 3.34Å; T869-Y871 WeakPolarHBondContact O-CE2 3.48Å; Y871-F889 CarbonylContact C-O 3.57Å; Y871-F889 WeakPolarHBondContact CA-O 3.31Å; Y871-E890 HydrophobicContact CD1-CB 3.81Å; Y871-E890 HydrophobicContact CD1-CG 4.09Å; Y871-E890 HydrophobicContact CE1-CB 3.7Å; Y871-E890 HydrophobicContact CE1-CG 3.61Å
872	R	97.6	Very high	95.1	Very high	16 Å²	16	32.4 Å²	32.4	6%	0.06	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	128.2	171.4	-168.7	115.4	-179.8	127.9	-3.4	109.6	V444 I459 E772 G773 T774 F888 F889 N925	V444-R872 HydrophobicContact CG1-CB 3.52Å; V444-R872 HydrophobicContact CG1-CG 3.97Å; V444-R872 HydrophobicContact CG2-CG 4.27Å; I459-R872 HydrophobicContact CD1-CB 4.42Å; I459-R872 HydrophobicContact CG2-CB 4.08Å; I459-R872 HydrophobicContact CG2-CG 4.42Å; E772-R872 VanDerWaalsContact CD-NH2 3.27Å; E772-R872 IonicContact OE1-CZ 3.34Å; E772-R872 IonicContact OE1-NH2 2.95Å; E772-R872 PolarHBondContact OE1-NH2 2.81Å; E772-R872 IonicContact OE2-NH2 2.62Å; G773-R872 CarbonylContact O-C 3.5Å; G773-R872 WeakPolarHBondContact O-CA 3.13Å; T774-R872 PolarHBondContact OG1-NH1 3Å; T774-R872 VanDerWaalsContact OG1-NH1 3.13Å; R872-F888 CarbonylContact O-C 3.53Å; R872-F888 WeakPolarHBondContact O-CA 3.03Å; R872-F889 HydrophobicContact CB-CB 4.35Å; R872-F889 PolarHBondContact N-O 2.74Å; R872-F889 PolarHBondContact O-N 3.43Å; R872-N925 PolarHBondContact NH1-ND2 2.88Å; R872-N925 PolarHBondContact NH1-O 3.47Å
873	W	97.7	Very high	95.3	Very high	1 Å²	1	29 Å²	29	0%	0.004	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	152.7	167.1	75.8	80.8	0	0	0	110.8	F771 E772 G773 F775 F788 R887 F888 W923 L926	F771-W873 AromaticContact CD1-NE1 3.86Å; F771-W873 HydrophobicContact CE1-CZ2 4.04Å; F771-W873 AromaticContact CE1-NE1 3.92Å; F771-W873 HydrophobicContact CE2-CZ2 4.5Å; F771-W873 AromaticContact CZ-CZ2 3.88Å; F771-W873 HydrophobicContact CZ-CZ2 3.88Å; E772-W873 VanDerWaalsContact CA-O 3.28Å; E772-W873 WeakPolarHBondContact CA-O 3.46Å; E772-W873 WeakPolarHBondContact CB-O 3.33Å; G773-W873 VanDerWaalsContact C-CZ3 3.48Å; G773-W873 PolarHBondContact N-O 2.82Å; G773-W873 PolarHBondContact O-N 2.91Å; F775-W873 HydrophobicContact CB-CE3 3.82Å; F775-W873 HydrophobicContact CB-CZ3 3.75Å; F788-W873 HydrophobicContact CB-CZ2 4.45Å; F788-W873 AromaticContact CD1-CD1 3.96Å; F788-W873 AromaticContact CD1-CD2 3.67Å; F788-W873 HydrophobicContact CD1-CD2 3.67Å; F788-W873 AromaticContact CD1-CE2 3.68Å; F788-W873 HydrophobicContact CD1-CE3 4.19Å; F788-W873 AromaticContact CD1-CG 3.87Å; F788-W873 HydrophobicContact CD1-CG 3.87Å; F788-W873 HydrophobicContact CD1-CZ2 4.23Å; F788-W873 AromaticContact CD1-NE1 3.84Å; F788-W873 HydrophobicContact CE1-CB 3.78Å; F788-W873 AromaticContact CE1-CD1 3.39Å; F788-W873 AromaticContact CE1-CD2 3.66Å; F788-W873 HydrophobicContact CE1-CD2 3.66Å; F788-W873 AromaticContact CE1-CE2 3.93Å; F788-W873 HydrophobicContact CE1-CE3 4.42Å; F788-W873 AromaticContact CE1-CG 3.32Å; F788-W873 HydrophobicContact CE1-CG 3.32Å; F788-W873 AromaticContact CE1-NE1 3.75Å; F788-W873 HydrophobicContact CG-CZ2 4.4Å; F788-W873 HydrophobicContact CZ-CB 4.34Å; F788-W873 AromaticContact CZ-CD1 3.5Å; F788-W873 VanDerWaalsContact CZ-CD1 3.5Å; F788-W873 AromaticContact CZ-CG 3.88Å; F788-W873 HydrophobicContact CZ-CG 3.88Å; F788-W873 AromaticContact CZ-NE1 3.93Å; W873-R887 CarbonylContact C-O 3.47Å; W873-R887 WeakPolarHBondContact CA-O 3.05Å; W873-F888 HydrophobicContact CB-CD1 4.15Å; W873-F888 HydrophobicContact CB-CD2 4.18Å; W873-F888 HydrophobicContact CB-CE1 3.77Å; W873-F888 HydrophobicContact CB-CE2 3.8Å; W873-F888 HydrophobicContact CB-CG 4.36Å; W873-F888 HydrophobicContact CB-CZ 3.59Å; W873-W923 HydrophobicContact CH2-CB 4.12Å; W873-W923 AromaticContact CH2-CD1 3.51Å; W873-W923 HydrophobicContact CH2-CG 4.2Å; W873-W923 AromaticContact CZ3-CD1 3.74Å; W873-L926 HydrophobicContact CH2-CD2 3.52Å; W873-L926 HydrophobicContact CZ2-CD2 3.52Å
874	Q	97.2	Very high	95.4	Very high	49 Å²	49	27.2 Å²	27.2	23%	0.229	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	115.9	169.1	-63.5	-173.4	-41.8	0	0	108.6	E772 V886 R887 F889	E772-Q874 HydrophobicContact CB-CG 4.09Å; E772-Q874 PolarHBondContact OE2-NE2 3.07Å; Q874-V886 CarbonylContact O-C 3.57Å; Q874-V886 WeakPolarHBondContact O-CA 3.31Å; Q874-R887 PolarHBondContact N-O 3.11Å; Q874-R887 PolarHBondContact O-N 2.8Å; Q874-F889 HydrophobicContact CG-CE2 4.24Å
875	L	97.9	Very high	95.6	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.01	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	134.4	172.9	172.2	72	0	0	0	108.9	D770 F771 F788 F790 H877 I884 R885 V886	D770-L875 CarbonylContact C-O 3.57Å; D770-L875 VanDerWaalsContact CA-O 3.25Å; D770-L875 WeakPolarHBondContact CA-O 3.1Å; F771-L875 HydrophobicContact CB-CB 4.26Å; F771-L875 HydrophobicContact CB-CD2 4.13Å; F771-L875 PolarHBondContact N-O 2.84Å; F771-L875 WeakPolarHBondContact O-CA 3.38Å; F771-L875 VanDerWaalsContact O-CB 3.3Å; F771-L875 WeakPolarHBondContact O-CB 3.41Å; F771-L875 PolarHBondContact O-N 2.73Å; F788-L875 HydrophobicContact CE2-CB 4.15Å; F788-L875 HydrophobicContact CE2-CD2 4.16Å; F788-L875 HydrophobicContact CZ-CB 4.38Å; F790-L875 HydrophobicContact CB-CD2 3.53Å; F790-L875 HydrophobicContact CD1-CD1 4.09Å; F790-L875 HydrophobicContact CD1-CD2 3.55Å; F790-L875 HydrophobicContact CD1-CG 4.48Å; F790-L875 HydrophobicContact CD2-CD1 4.43Å; F790-L875 HydrophobicContact CD2-CD2 3.85Å; F790-L875 HydrophobicContact CE1-CD1 3.83Å; F790-L875 HydrophobicContact CE1-CD2 4.17Å; F790-L875 HydrophobicContact CE2-CD1 4.19Å; F790-L875 HydrophobicContact CE2-CD2 4.43Å; F790-L875 HydrophobicContact CG-CD1 4.37Å; F790-L875 HydrophobicContact CG-CD2 3.36Å; F790-L875 HydrophobicContact CZ-CD1 3.88Å; L875-H877 HydrophobicContact CD2-CB 4.45Å; L875-H877 HydrophobicContact CG-CB 4.43Å; L875-I884 HydrophobicContact CD1-CG2 4.2Å; L875-R885 CarbonylContact C-O 3.51Å; L875-R885 WeakPolarHBondContact CA-O 3.32Å; L875-V886 HydrophobicContact CD1-CG2 3.72Å
876	S	97	Very high	95.7	Very high	21 Å²	21	28.1 Å²	28.1	15%	0.147	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	117.8	161.7	-67.7	0	0	0	0	109	D770 I884 R885	D770-S876 WeakPolarHBondContact OD1-CA 3.34Å; D770-S876 VanDerWaalsContact OD1-CB 3.27Å; D770-S876 WeakPolarHBondContact OD1-CB 3.41Å; D770-S876 PolarHBondContact OD1-OG 3.26Å; S876-I884 WeakPolarHBondContact O-CA 3.08Å; S876-R885 PolarHBondContact N-O 3.35Å; S876-R885 PolarHBondContact O-N 3.36Å
877	H	97.1	Very high	95.7	Very high	2 Å²	2	26 Å²	26	1%	0.009	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	126.2	179.5	-175.1	-140.4	0	0	0	110.4	V769 F790 L875 Y883	V769-H877 HydrophobicContact CG1-CB 4.15Å; V769-H877 PolarHBondContact N-O 3.03Å; V769-H877 PolarHBondContact O-N 3.05Å; F790-H877 HydrophobicContact CD2-CB 4.21Å; F790-H877 AromaticContact CD2-CG 3.84Å; F790-H877 AromaticContact CD2-ND1 3.73Å; F790-H877 HydrophobicContact CE2-CB 4.34Å; F790-H877 AromaticContact CE2-CD2 3.92Å; F790-H877 AromaticContact CE2-CG 3.88Å; L875-H877 HydrophobicContact CD2-CB 4.45Å; L875-H877 HydrophobicContact CG-CB 4.43Å; H877-Y883 CarbonylContact C-O 3.59Å; H877-Y883 WeakPolarHBondContact CA-O 3.33Å; H877-Y883 PolarHBondContact CD2-O 2.88Å
878	R	96	Very high	95.7	Very high	3 Å²	3	23.5 Å²	23.5	1%	0.011	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	84.2	175	-49.2	-69.7	179.3	-88.8	2.1	109.3	V769 D770 Q880 V881 G882 Y883 N931 T933	V769-R878 PolarHBondContact O-NH1 3.35Å; D770-R878 VanDerWaalsContact CG-NH2 3.28Å; D770-R878 IonicContact OD1-CZ 2.73Å; D770-R878 IonicContact OD1-NH1 3.3Å; D770-R878 PolarHBondContact OD1-NH1 2.68Å; D770-R878 IonicContact OD1-NH2 2.82Å; D770-R878 PolarHBondContact OD1-NH2 2.94Å; D770-R878 IonicContact OD2-NH2 3.78Å; D770-R878 PolarHBondContact OD2-NH2 2.85Å; D770-R878 VanDerWaalsContact OD2-NH2 3.1Å; R878-Q880 VanDerWaalsContact C-N 3.27Å; R878-Q880 VanDerWaalsContact CB-OE1 3.31Å; R878-Q880 PolarHBondContact O-N 2.92Å; R878-Q880 PolarHBondContact O-OE1 2.95Å; R878-V881 HydrophobicContact CB-CG2 4.1Å; R878-V881 PolarHBondContact O-N 2.98Å; R878-G882 PolarHBondContact O-N 3.47Å; R878-Y883 HydrophobicContact CG-CD1 4.31Å; R878-Y883 PolarHBondContact N-O 2.96Å; R878-Y883 PolarHBondContact O-N 3.28Å; R878-N931 WeakPolarHBondContact CD-O 3.39Å; R878-N931 PolarHBondContact NE-O 3.48Å; R878-N931 PolarHBondContact NH1-O 2.73Å; R878-N931 PolarHBondContact NH2-ND2 2.78Å; R878-T933 PolarHBondContact NE-O 3.26Å
879	P	93.4	Very high	95.8	Very high	4 Å²	4	19.3 Å²	19.3	3%	0.026	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-25.7	-173.8	12.3	-16.6	0	0	0	114.6	N767 V881 G882 R907	N767-P879 WeakPolarHBondContact O-CD 2.96Å; N767-P879 WeakPolarHBondContact O-CG 3.22Å; P879-V881 PolarHBondContact O-N 2.95Å; P879-G882 PolarHBondContact O-N 3.03Å; P879-R907 VanDerWaalsContact CB-CA 3.45Å; P879-R907 HydrophobicContact CB-CB 4.19Å
880	Q	89.1	Confident	95.8	Very high	82 Å²	82	20.7 Å²	20.7	38%	0.383	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-31.4	173.9	66.3	-82.3	38.7	0	0	113	R878 D932 V934	R878-Q880 VanDerWaalsContact C-N 3.27Å; R878-Q880 VanDerWaalsContact CB-OE1 3.31Å; R878-Q880 PolarHBondContact O-N 2.92Å; R878-Q880 PolarHBondContact O-OE1 2.95Å; Q880-D932 PolarHBondContact NE2-O 2.92Å; Q880-V934 HydrophobicContact CG-CG2 4.4Å
881	V	90.7	Very high	95.4	Very high	44 Å²	44	21.5 Å²	21.5	27%	0.267	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.6	3	174.6	-65.5	0	0	0	0	113.1	R878 P879 Y883 V934 F938	R878-V881 HydrophobicContact CB-CG2 4.1Å; R878-V881 PolarHBondContact O-N 2.98Å; P879-V881 PolarHBondContact O-N 2.95Å; V881-Y883 VanDerWaalsContact C-N 3.29Å; V881-Y883 PolarHBondContact O-N 3.01Å; V881-V934 HydrophobicContact CG1-CG2 4.37Å; V881-V934 HydrophobicContact CG2-CG1 4.02Å; V881-V934 HydrophobicContact CG2-CG2 4Å; V881-F938 HydrophobicContact CB-CE1 4Å; V881-F938 HydrophobicContact CB-CE2 4.3Å; V881-F938 HydrophobicContact CB-CZ 3.7Å; V881-F938 HydrophobicContact CG1-CE1 4.07Å; V881-F938 HydrophobicContact CG1-CZ 4.21Å; V881-F938 HydrophobicContact CG2-CE1 4.22Å; V881-F938 HydrophobicContact CG2-CE2 4.3Å; V881-F938 HydrophobicContact CG2-CZ 4.06Å
882	G	92.1	Very high	95.2	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	22.3	-175	0	0	0	0	0	115	R878 P879 I884 I902 D903	R878-G882 PolarHBondContact O-N 3.47Å; P879-G882 PolarHBondContact O-N 3.03Å; G882-I884 PolarHBondContact O-N 3.44Å; G882-I902 CarbonylContact O-C 3.58Å; G882-I902 VanDerWaalsContact O-CA 3.25Å; G882-I902 WeakPolarHBondContact O-CA 3.35Å; G882-D903 CarbonylContact C-O 3.52Å; G882-D903 WeakPolarHBondContact CA-O 3.29Å; G882-D903 PolarHBondContact O-N 2.88Å; G882-D903 VanDerWaalsContact O-O 3.11Å
883	Y	96.1	Very high	95	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.008	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	127.2	-178.7	177.4	-80.9	0	0	0	110.2	H877 R878 V881 R885 V900 P935 D937 F938	H877-Y883 CarbonylContact C-O 3.59Å; H877-Y883 WeakPolarHBondContact CA-O 3.33Å; H877-Y883 PolarHBondContact CD2-O 2.88Å; R878-Y883 HydrophobicContact CG-CD1 4.31Å; R878-Y883 PolarHBondContact N-O 2.96Å; R878-Y883 PolarHBondContact O-N 3.28Å; V881-Y883 VanDerWaalsContact C-N 3.29Å; V881-Y883 PolarHBondContact O-N 3.01Å; Y883-R885 HydrophobicContact CE1-CB 3.58Å; Y883-R885 VanDerWaalsContact OH-CD 3.31Å; Y883-R885 WeakPolarHBondContact OH-CD 3.35Å; Y883-V900 HydrophobicContact CD2-CG1 3.7Å; Y883-V900 HydrophobicContact CD2-CG2 4.49Å; Y883-V900 HydrophobicContact CE2-CB 4.26Å; Y883-V900 HydrophobicContact CE2-CG1 3.74Å; Y883-V900 HydrophobicContact CE2-CG2 3.69Å; Y883-P935 HydrophobicContact CD1-CG 4.29Å; Y883-P935 HydrophobicContact CE1-CB 4.39Å; Y883-P935 HydrophobicContact CE1-CG 3.76Å; Y883-P935 HydrophobicContact CE2-CB 4.17Å; Y883-P935 HydrophobicContact CE2-CG 4.3Å; Y883-D937 WeakPolarHBondContact CE2-OD1 3.44Å; Y883-D937 PolarHBondContact OH-OD1 3.33Å; Y883-D937 PolarHBondContact OH-OD2 3.38Å; Y883-D937 VanDerWaalsContact OH-OD2 3.05Å; Y883-F938 HydrophobicContact CD2-CB 3.95Å; Y883-F938 AromaticContact CD2-CD2 3.85Å; Y883-F938 HydrophobicContact CD2-CD2 3.85Å; Y883-F938 HydrophobicContact CD2-CG 4.26Å; Y883-F938 HydrophobicContact CE2-CB 4.15Å
884	I	97.6	Very high	94.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	130.2	171.4	-60.2	163.8	0	0	0	108	F790 Y799 L826 L856 L875 S876 G882 V886 V901 D903	F790-I884 HydrophobicContact CE2-CD1 4.18Å; F790-I884 HydrophobicContact CE2-CG1 4.17Å; F790-I884 HydrophobicContact CE2-CG2 4.29Å; F790-I884 HydrophobicContact CZ-CD1 4.24Å; F790-I884 HydrophobicContact CZ-CG1 4.37Å; F790-I884 HydrophobicContact CZ-CG2 3.79Å; Y799-I884 HydrophobicContact CD1-CD1 4.14Å; Y799-I884 HydrophobicContact CE1-CD1 3.85Å; Y799-I884 HydrophobicContact CE2-CD1 4.34Å; L826-I884 HydrophobicContact CD1-CG2 4.47Å; L826-I884 HydrophobicContact CD2-CG2 3.74Å; L856-I884 HydrophobicContact CD1-CD1 4.26Å; L875-I884 HydrophobicContact CD1-CG2 4.2Å; S876-I884 WeakPolarHBondContact O-CA 3.08Å; G882-I884 PolarHBondContact O-N 3.44Å; I884-V886 HydrophobicContact CG2-CG2 4.26Å; I884-V901 HydrophobicContact CB-CB 4.2Å; I884-V901 PolarHBondContact N-O 3.12Å; I884-V901 WeakPolarHBondContact O-CB 3.36Å; I884-V901 PolarHBondContact O-N 3.47Å; I884-D903 HydrophobicContact CD1-CB 4.14Å
885	R	97.3	Very high	94.7	Very high	42 Å²	42	33.5 Å²	33.5	16%	0.158	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	132.6	168.9	-175.3	165.3	-173.8	-170.1	-2.4	110.6	L875 S876 Y883 D897 G899 D937	L875-R885 CarbonylContact C-O 3.51Å; L875-R885 WeakPolarHBondContact CA-O 3.32Å; S876-R885 PolarHBondContact N-O 3.35Å; S876-R885 PolarHBondContact O-N 3.36Å; Y883-R885 HydrophobicContact CE1-CB 3.58Å; Y883-R885 VanDerWaalsContact OH-CD 3.31Å; Y883-R885 WeakPolarHBondContact OH-CD 3.35Å; R885-D897 IonicContact CZ-OD1 2.64Å; R885-D897 IonicContact CZ-OD2 2.89Å; R885-D897 IonicContact NE-OD1 3.34Å; R885-D897 PolarHBondContact NE-OD1 2.86Å; R885-D897 IonicContact NE-OD2 2.64Å; R885-D897 IonicContact NH2-OD1 3.12Å; R885-D897 IonicContact NH2-OD2 3.1Å; R885-D897 PolarHBondContact NH2-OD2 2.93Å; R885-G899 WeakPolarHBondContact CG-O 3.37Å; R885-D937 IonicContact CZ-OD2 2.69Å; R885-D937 IonicContact NH1-OD2 2.91Å; R885-D937 PolarHBondContact NH1-OD2 3.3Å
886	V	97.4	Very high	94.6	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.012	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	125.6	-178.7	-173.3	0	0	0	0	108.9	F788 V801 Q874 L875 I884 F888 D897 S898	F788-V886 HydrophobicContact CZ-CG1 4.32Å; V801-V886 HydrophobicContact CG1-CG1 4.44Å; V801-V886 HydrophobicContact CG2-CG1 4.36Å; V801-V886 HydrophobicContact CG2-CG2 4.08Å; Q874-V886 CarbonylContact O-C 3.57Å; Q874-V886 WeakPolarHBondContact O-CA 3.31Å; L875-V886 HydrophobicContact CD1-CG2 3.72Å; I884-V886 HydrophobicContact CG2-CG2 4.26Å; V886-F888 HydrophobicContact CG1-CD2 3.83Å; V886-F888 HydrophobicContact CG1-CE2 3.44Å; V886-F888 VanDerWaalsContact CG1-CE2 3.44Å; V886-D897 WeakPolarHBondContact O-CA 3.47Å; V886-S898 PolarHBondContact N-OG 3.06Å; V886-S898 PolarHBondContact O-N 3.21Å; V886-S898 PolarHBondContact O-OG 2.86Å
887	R	96.3	Very high	94.5	Very high	59 Å²	59	35.3 Å²	35.3	22%	0.223	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	142.9	175.1	-55.9	-173.1	-170.1	108.5	-3.1	110	W873 Q874 F889 A896	W873-R887 CarbonylContact C-O 3.47Å; W873-R887 WeakPolarHBondContact CA-O 3.05Å; Q874-R887 PolarHBondContact N-O 3.11Å; Q874-R887 PolarHBondContact O-N 2.8Å; R887-F889 HydrophobicContact CB-CE2 3.91Å; R887-F889 HydrophobicContact CB-CZ 4.42Å; R887-A896 CarbonylContact C-O 3.6Å; R887-A896 WeakPolarHBondContact CA-O 3.42Å
888	F	96.6	Very high	94.5	Very high	7 Å²	7	35.8 Å²	35.8	3%	0.031	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	141	175.9	-84.7	-108.1	0	0	0	110.7	F788 V801 W803 L824 R872 W873 V886 M894 V895 A896	F788-F888 HydrophobicContact CE1-CE2 4.32Å; F788-F888 AromaticContact CE1-CZ 3.92Å; F788-F888 HydrophobicContact CE1-CZ 3.92Å; V801-F888 HydrophobicContact CG1-CE2 3.93Å; V801-F888 HydrophobicContact CG1-CZ 3.93Å; W803-F888 HydrophobicContact CE3-CE1 4.31Å; W803-F888 HydrophobicContact CZ3-CD1 4.29Å; W803-F888 HydrophobicContact CZ3-CE1 4.49Å; L824-F888 HydrophobicContact CD1-CD2 4.3Å; L824-F888 HydrophobicContact CD1-CE1 4.07Å; L824-F888 HydrophobicContact CD1-CE2 3.67Å; L824-F888 HydrophobicContact CD1-CZ 3.52Å; L824-F888 HydrophobicContact CD2-CD2 3.2Å; L824-F888 HydrophobicContact CD2-CE2 3.3Å; L824-F888 HydrophobicContact CD2-CG 3.86Å; L824-F888 HydrophobicContact CD2-CZ 4.02Å; L824-F888 HydrophobicContact CG-CD2 4.37Å; L824-F888 HydrophobicContact CG-CE2 4.07Å; L824-F888 HydrophobicContact CG-CZ 4.41Å; R872-F888 CarbonylContact O-C 3.53Å; R872-F888 WeakPolarHBondContact O-CA 3.03Å; W873-F888 HydrophobicContact CB-CD1 4.15Å; W873-F888 HydrophobicContact CB-CD2 4.18Å; W873-F888 HydrophobicContact CB-CE1 3.77Å; W873-F888 HydrophobicContact CB-CE2 3.8Å; W873-F888 HydrophobicContact CB-CG 4.36Å; W873-F888 HydrophobicContact CB-CZ 3.59Å; V886-F888 HydrophobicContact CG1-CD2 3.83Å; V886-F888 HydrophobicContact CG1-CE2 3.44Å; V886-F888 VanDerWaalsContact CG1-CE2 3.44Å; F888-M894 CarbonylContact O-C 3.55Å; F888-M894 WeakPolarHBondContact O-CA 3.39Å; F888-V895 HydrophobicContact CB-CG2 3.93Å; F888-V895 WeakPolarHBondContact O-CG2 3Å; F888-V895 PolarHBondContact O-N 3.07Å; F888-A896 HydrophobicContact CB-CB 4.15Å; F888-A896 PolarHBondContact N-O 2.8Å; F888-A896 PolarHBondContact O-N 2.88Å
889	F	96.2	Very high	94.4	Very high	25 Å²	25	36.9 Å²	36.9	11%	0.11	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	137.7	-179.6	-60.1	-98.7	0	0	0	110.1	V444 Y871 R872 Q874 R887 D893 M894	V444-F889 HydrophobicContact CB-CB 4.49Å; V444-F889 HydrophobicContact CB-CD1 4.45Å; V444-F889 HydrophobicContact CB-CG 4.32Å; V444-F889 HydrophobicContact CG1-CB 3.74Å; V444-F889 HydrophobicContact CG1-CD2 4.48Å; V444-F889 HydrophobicContact CG1-CG 4.04Å; V444-F889 HydrophobicContact CG2-CD2 4.35Å; V444-F889 HydrophobicContact CG2-CG 4.43Å; Y871-F889 CarbonylContact C-O 3.57Å; Y871-F889 WeakPolarHBondContact CA-O 3.31Å; R872-F889 HydrophobicContact CB-CB 4.35Å; R872-F889 PolarHBondContact N-O 2.74Å; R872-F889 PolarHBondContact O-N 3.43Å; Q874-F889 HydrophobicContact CG-CE2 4.24Å; R887-F889 HydrophobicContact CB-CE2 3.91Å; R887-F889 HydrophobicContact CB-CZ 4.42Å; F889-D893 CarbonylContact C-O 3.54Å; F889-D893 VanDerWaalsContact CA-O 3.28Å; F889-D893 WeakPolarHBondContact CA-O 3.44Å; F889-M894 HydrophobicContact CD1-CB 3.81Å; F889-M894 HydrophobicContact CD1-CG 4.28Å; F889-M894 HydrophobicContact CE1-CB 3.66Å; F889-M894 HydrophobicContact CE1-CE 3.81Å; F889-M894 HydrophobicContact CE1-CG 3.95Å; F889-M894 HydrophobicContact CZ-CB 4.39Å; F889-M894 HydrophobicContact CZ-CE 3.77Å; F889-M894 HydrophobicContact CZ-CG 4.18Å
890	E	94.8	Very high	94.4	Very high	61 Å²	61	37.9 Å²	37.9	29%	0.285	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	110	168.3	-175.1	-177.4	163.7	0	0	106.8	K866 T869 Y871 T892 D893 V895	K866-E890 VanDerWaalsContact NZ-CD 3.31Å; K866-E890 IonicContact NZ-OE1 2.61Å; K866-E890 PolarHBondContact NZ-OE1 3.44Å; K866-E890 IonicContact NZ-OE2 3.65Å; K866-E890 PolarHBondContact NZ-OE2 3.46Å; K866-E890 VanDerWaalsContact NZ-OE2 3.12Å; T869-E890 HydrophobicContact CG2-CG 4.1Å; Y871-E890 HydrophobicContact CD1-CB 3.81Å; Y871-E890 HydrophobicContact CD1-CG 4.09Å; Y871-E890 HydrophobicContact CE1-CB 3.7Å; Y871-E890 HydrophobicContact CE1-CG 3.61Å; E890-T892 PolarHBondContact O-N 2.04Å; E890-D893 PolarHBondContact N-O 3.21Å; E890-D893 PolarHBondContact O-N 3.46Å; E890-D893 VanDerWaalsContact O-N 3.11Å; E890-V895 HydrophobicContact CB-CG1 3.55Å; E890-V895 HydrophobicContact CB-CG2 4.39Å
891	G	89.4	Confident	94.7	Very high	26 Å²	26	34.8 Å²	34.8	27%	0.268	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	-123	-164.6	0	0	0	0	0	110.9
892	T	91.6	Very high	94.9	Very high	78 Å²	78	36.9 Å²	36.9	48%	0.479	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-13.2	178.1	59.3	0	0	0	0	114.2	E890	E890-T892 PolarHBondContact O-N 2.04Å
893	D	93.5	Very high	95	Very high	115 Å²	115	37.4 Å²	37.4	62%	0.615	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92	124.8	-170.4	-71.7	-23.6	0	0	0	110.8	F889 E890 V895	F889-D893 CarbonylContact C-O 3.54Å; F889-D893 VanDerWaalsContact CA-O 3.28Å; F889-D893 WeakPolarHBondContact CA-O 3.44Å; E890-D893 PolarHBondContact N-O 3.21Å; E890-D893 PolarHBondContact O-N 3.46Å; E890-D893 VanDerWaalsContact O-N 3.11Å; D893-V895 PolarHBondContact O-N 3.14Å; D893-V895 VanDerWaalsContact O-N 3.14Å
894	M	94.3	Very high	94.9	Very high	97 Å²	97	40.9 Å²	40.9	48%	0.478	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	111.5	171.2	-170	-170.9	-56.9	0	0	109.4	F888 F889 D897	F888-M894 CarbonylContact O-C 3.55Å; F888-M894 WeakPolarHBondContact O-CA 3.39Å; F889-M894 HydrophobicContact CD1-CB 3.81Å; F889-M894 HydrophobicContact CD1-CG 4.28Å; F889-M894 HydrophobicContact CE1-CB 3.66Å; F889-M894 HydrophobicContact CE1-CE 3.81Å; F889-M894 HydrophobicContact CE1-CG 3.95Å; F889-M894 HydrophobicContact CZ-CB 4.39Å; F889-M894 HydrophobicContact CZ-CE 3.77Å; F889-M894 HydrophobicContact CZ-CG 4.18Å; M894-D897 HydrophobicContact SD-CB 4.07Å
895	V	94.9	Very high	94.7	Very high	31 Å²	31	43.4 Å²	43.4	19%	0.188	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	-43.1	-178.1	-70.3	0	0	0	0	111.2	R861 F888 E890 D893	R861-V895 VanDerWaalsContact CZ-C 3.49Å; R861-V895 PolarHBondContact NE-O 2.96Å; R861-V895 PolarHBondContact NH1-O 3.41Å; R861-V895 PolarHBondContact NH2-O 2.81Å; F888-V895 HydrophobicContact CB-CG2 3.93Å; F888-V895 WeakPolarHBondContact O-CG2 3Å; F888-V895 PolarHBondContact O-N 3.07Å; E890-V895 HydrophobicContact CB-CG1 3.55Å; E890-V895 HydrophobicContact CB-CG2 4.39Å; D893-V895 PolarHBondContact O-N 3.14Å; D893-V895 VanDerWaalsContact O-N 3.14Å
896	A	94.9	Very high	94.6	Very high	6 Å²	6	41.4 Å²	41.4	5%	0.05	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	146.3	-178.9	0	0	0	0	0	111.8	L824 W857 R887 F888	L824-A896 HydrophobicContact CD2-CB 4.1Å; W857-A896 HydrophobicContact CH2-CB 4.18Å; R887-A896 CarbonylContact C-O 3.6Å; R887-A896 WeakPolarHBondContact CA-O 3.42Å; F888-A896 HydrophobicContact CB-CB 4.15Å; F888-A896 PolarHBondContact N-O 2.8Å; F888-A896 PolarHBondContact O-N 2.88Å
897	D	96.1	Very high	94.5	Very high	55 Å²	55	45.2 Å²	45.2	29%	0.294	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	122.7	172.6	-175.4	-3.7	0	0	0	107.4	R885 V886 M894 G899	R885-D897 IonicContact CZ-OD1 2.64Å; R885-D897 IonicContact CZ-OD2 2.89Å; R885-D897 IonicContact NE-OD1 3.34Å; R885-D897 PolarHBondContact NE-OD1 2.86Å; R885-D897 IonicContact NE-OD2 2.64Å; R885-D897 IonicContact NH2-OD1 3.12Å; R885-D897 IonicContact NH2-OD2 3.1Å; R885-D897 PolarHBondContact NH2-OD2 2.93Å; V886-D897 WeakPolarHBondContact O-CA 3.47Å; M894-D897 HydrophobicContact SD-CB 4.07Å; D897-G899 PolarHBondContact O-N 3.27Å; D897-G899 PolarHBondContact OD1-N 3.04Å
898	S	95.8	Very high	94.4	Very high	13 Å²	13	42.4 Å²	42.4	9%	0.091	24%	0.239	C	C	.	.			trans	-66.7	-21	176.6	65.1	0	0	0	0	112.6	W857 V886	W857-S898 VanDerWaalsContact CE2-CA 3.5Å; V886-S898 PolarHBondContact N-OG 3.06Å; V886-S898 PolarHBondContact O-N 3.21Å; V886-S898 PolarHBondContact O-OG 2.86Å
899	G	94.2	Very high	94.4	Very high	25 Å²	25	42.4 Å²	42.4	26%	0.258	24%	0.24	S	C	.	.			trans	64.7	-165.4	-158.4	0	0	0	0	0	110.8	R885 D897 V901	R885-G899 WeakPolarHBondContact CG-O 3.37Å; D897-G899 PolarHBondContact O-N 3.27Å; D897-G899 PolarHBondContact OD1-N 3.04Å; G899-V901 PolarHBondContact O-N 3.21Å
900	V	94.4	Very high	94.5	Very high	25 Å²	25	42 Å²	42	15%	0.152	24%	0.238	C	C	.	.			trans	-76.9	116	176.2	-177.9	0	0	0	0	109.2	Y883 I902 F938 H941	Y883-V900 HydrophobicContact CD2-CG1 3.7Å; Y883-V900 HydrophobicContact CD2-CG2 4.49Å; Y883-V900 HydrophobicContact CE2-CB 4.26Å; Y883-V900 HydrophobicContact CE2-CG1 3.74Å; Y883-V900 HydrophobicContact CE2-CG2 3.69Å; V900-I902 HydrophobicContact CG1-CG1 4.15Å; V900-F938 HydrophobicContact CG1-CD2 4.45Å; V900-H941 HydrophobicContact CB-CB 4.28Å; V900-H941 HydrophobicContact CG1-CB 4.38Å; V900-H941 HydrophobicContact CG2-CB 4.23Å
901	V	95.1	Very high	94.7	Very high	18 Å²	18	39.2 Å²	39.2	11%	0.109	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	136.8	169.2	177.9	0	0	0	0	107.3	L826 L856 W857 I884 G899	L826-V901 HydrophobicContact CD2-CB 4.37Å; L826-V901 HydrophobicContact CD2-CG1 4.18Å; L826-V901 HydrophobicContact CD2-CG2 4.23Å; L856-V901 HydrophobicContact CB-CG1 4Å; L856-V901 HydrophobicContact CD1-CG1 4.27Å; W857-V901 HydrophobicContact CB-CG2 4.11Å; I884-V901 HydrophobicContact CB-CB 4.2Å; I884-V901 PolarHBondContact N-O 3.12Å; I884-V901 WeakPolarHBondContact O-CB 3.36Å; I884-V901 PolarHBondContact O-N 3.47Å; G899-V901 PolarHBondContact O-N 3.21Å
902	I	94.2	Very high	95	Very high	88 Å²	88	38 Å²	38	45%	0.451	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	115.6	177.7	-57.2	175.3	0	0	0	108.6	G882 V900 F938	G882-I902 CarbonylContact O-C 3.58Å; G882-I902 VanDerWaalsContact O-CA 3.25Å; G882-I902 WeakPolarHBondContact O-CA 3.35Å; V900-I902 HydrophobicContact CG1-CG1 4.15Å; I902-F938 HydrophobicContact CD1-CE2 3.93Å; I902-F938 HydrophobicContact CG1-CE2 4.36Å
903	D	95.3	Very high	95.4	Very high	10 Å²	10	34.2 Å²	34.2	5%	0.053	19%	0.189	C	C	.	.			trans	-148.9	143.5	174.3	-164.6	-85.9	0	0	0	109.2	Y799 K854 L856 G882 I884 T905	Y799-D903 HydrophobicContact CE1-CB 4.24Å; Y799-D903 WeakPolarHBondContact CE1-OD1 3.38Å; Y799-D903 PolarHBondContact OH-OD1 2.58Å; K854-D903 IonicContact NZ-OD2 3.84Å; K854-D903 PolarHBondContact NZ-OD2 3.47Å; L856-D903 HydrophobicContact CD1-CB 3.85Å; L856-D903 HydrophobicContact CD2-CB 4.2Å; L856-D903 WeakPolarHBondContact CD2-OD2 3.41Å; G882-D903 CarbonylContact C-O 3.52Å; G882-D903 WeakPolarHBondContact CA-O 3.29Å; G882-D903 PolarHBondContact O-N 2.88Å; G882-D903 VanDerWaalsContact O-O 3.11Å; I884-D903 HydrophobicContact CD1-CB 4.14Å; D903-T905 VanDerWaalsContact OD1-CB 3.22Å; D903-T905 WeakPolarHBondContact OD1-CB 3.22Å; D903-T905 PolarHBondContact OD1-N 3.27Å; D903-T905 VanDerWaalsContact OD1-N 3.09Å; D903-T905 PolarHBondContact OD1-OG1 3.32Å
904	T	93.6	Very high	95.6	Very high	76 Å²	76	28.8 Å²	28.8	47%	0.466	16%	0.16	S	C	.	.			trans	-128.9	20.6	-173.1	48	0	0	0	0	111.4	M906	T904-M906 VanDerWaalsContact C-N 3.35Å
905	T	93.6	Very high	95.6	Very high	52 Å²	52	24.1 Å²	24.1	32%	0.319	14%	0.137	S	C	.	.	S	Bend	trans	-66.4	-37.5	-175.6	-49.5	0	0	0	0	111.8	Y799 K830 D903	Y799-T905 PolarHBondContact OH-N 2.76Å; K830-T905 HydrophobicContact CB-CG2 3.89Å; K830-T905 HydrophobicContact CD-CG2 4.16Å; K830-T905 HydrophobicContact CG-CG2 4.03Å; D903-T905 VanDerWaalsContact OD1-CB 3.22Å; D903-T905 WeakPolarHBondContact OD1-CB 3.22Å; D903-T905 PolarHBondContact OD1-N 3.27Å; D903-T905 VanDerWaalsContact OD1-N 3.09Å; D903-T905 PolarHBondContact OD1-OG1 3.32Å
906	M	95.2	Very high	95.6	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	13%	0.129	C	C	.	.	S	Bend	trans	-124.8	129.4	172.4	-64.6	70.7	73.5	0	0	107.7	Q793 F798 Y799 A828 T904	Q793-M906 HydrophobicContact CG-CG 4.45Å; F798-M906 VanDerWaalsContact O-CE 3.31Å; F798-M906 WeakPolarHBondContact O-CE 3.38Å; Y799-M906 HydrophobicContact CD1-CE 3.53Å; Y799-M906 HydrophobicContact CD2-CB 4.26Å; Y799-M906 HydrophobicContact CD2-CE 3.46Å; Y799-M906 VanDerWaalsContact CD2-CE 3.46Å; Y799-M906 HydrophobicContact CE1-CE 3.5Å; Y799-M906 HydrophobicContact CE2-CB 3.68Å; Y799-M906 HydrophobicContact CE2-CE 3.46Å; Y799-M906 VanDerWaalsContact CE2-CE 3.46Å; Y799-M906 HydrophobicContact CE2-CG 4.45Å; Y799-M906 HydrophobicContact CE2-SD 4.39Å; Y799-M906 HydrophobicContact CG-CE 3.49Å; Y799-M906 VanDerWaalsContact CG-CE 3.49Å; Y799-M906 VanDerWaalsContact CZ-CE 3.45Å; Y799-M906 PolarHBondContact OH-N 3.17Å; A828-M906 HydrophobicContact CB-CE 4.24Å; T904-M906 VanDerWaalsContact C-N 3.35Å
907	R	95.1	Very high	95.5	Very high	82 Å²	82	22.9 Å²	22.9	31%	0.309	13%	0.129	S	C	.	.			trans	-105.3	44.1	-172.3	-67.6	177.7	135.3	-165.1	-6.4	113.9	D626 G627 P641 S643 P879	D626-R907 WeakPolarHBondContact O-CD 3.46Å; D626-R907 PolarHBondContact O-NH1 2.95Å; D626-R907 VanDerWaalsContact O-NH1 3.08Å; G627-R907 WeakPolarHBondContact O-CB 3.33Å; G627-R907 PolarHBondContact O-N 2.9Å; P641-R907 HydrophobicContact CB-CB 3.95Å; P641-R907 HydrophobicContact CG-CB 4.29Å; S643-R907 PolarHBondContact OG-O 3.19Å; P879-R907 VanDerWaalsContact CB-CA 3.45Å; P879-R907 HydrophobicContact CB-CB 4.19Å
908	G	94.6	Very high	95.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	126.5	-168.1	-177.1	0	0	0	0	0	108.9	S643 F766 G791	S643-G908 WeakPolarHBondContact OG-CA 3.36Å; F766-G908 CarbonylContact O-C 3.6Å; F766-G908 WeakPolarHBondContact O-CA 3.39Å; G791-G908 CarbonylContact C-O 3.52Å; G791-G908 WeakPolarHBondContact CA-O 3Å
909	G	96.1	Very high	95.4	Very high	6 Å²	6	22.1 Å²	22.1	6%	0.062	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	127.6	-162.3	176.6	0	0	0	0	0	112.8	S643 F766	S643-G909 VanDerWaalsContact CB-N 3.33Å; S643-G909 PolarHBondContact OG-N 3.21Å; S643-G909 VanDerWaalsContact OG-N 3.17Å; F766-G909 PolarHBondContact N-O 3.49Å; F766-G909 PolarHBondContact O-N 2.96Å
910	R	97.8	Very high	95.4	Very high	17 Å²	17	23.6 Å²	23.6	6%	0.064	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	162.1	-168.9	-58.1	-176.5	-71.5	152.2	-15.1	112.8	Q724 V761 G762 Y763 A765 F790 G791 Y792	Q724-R910 VanDerWaalsContact OE1-CZ 3.26Å; V761-R910 HydrophobicContact CG1-CB 3.72Å; G762-R910 WeakPolarHBondContact O-CD 3.48Å; Y763-R910 VanDerWaalsContact O-CD 3.23Å; Y763-R910 WeakPolarHBondContact O-CD 3.13Å; A765-R910 HydrophobicContact CB-CG 3.83Å; F790-R910 CarbonylContact C-O 3.48Å; G791-R910 PolarHBondContact N-O 3.2Å; G791-R910 VanDerWaalsContact N-O 3.1Å; Y792-R910 PolarHBondContact N-O 3.05Å; Y792-R910 PolarHBondContact O-N 3.11Å
911	L	98.2	Very high	95.6	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.01	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	157.2	177.7	-63.1	-178.6	0	0	0	111.2	F720 V761 G762 F766 V769 F771 F790 Y928	F720-L911 HydrophobicContact CE1-CB 4.24Å; F720-L911 HydrophobicContact CZ-CB 4.08Å; V761-L911 CarbonylContact C-O 3.54Å; V761-L911 WeakPolarHBondContact CA-O 3.33Å; V761-L911 WeakPolarHBondContact CG1-O 3.21Å; G762-L911 PolarHBondContact N-O 3.46Å; F766-L911 HydrophobicContact CD2-CD1 4.04Å; F766-L911 HydrophobicContact CD2-CG 3.84Å; F766-L911 HydrophobicContact CE2-CD1 3.72Å; F766-L911 HydrophobicContact CE2-CG 3.81Å; F766-L911 HydrophobicContact CZ-CD1 4.32Å; V769-L911 HydrophobicContact CG1-CD2 4.17Å; V769-L911 HydrophobicContact CG2-CD1 3.97Å; F771-L911 HydrophobicContact CB-CD1 4.04Å; F771-L911 HydrophobicContact CB-CD2 4.42Å; F771-L911 HydrophobicContact CD1-CD1 4.33Å; F771-L911 HydrophobicContact CD1-CD2 4.22Å; F771-L911 HydrophobicContact CD2-CD1 3.92Å; F771-L911 HydrophobicContact CE2-CD1 4.46Å; F771-L911 HydrophobicContact CG-CD1 3.85Å; F771-L911 HydrophobicContact CG-CD2 4.4Å; F790-L911 HydrophobicContact CB-CD2 3.54Å; L911-Y928 HydrophobicContact CD1-CD1 3.87Å; L911-Y928 HydrophobicContact CD1-CG 3.96Å
912	G	97.5	Very high	95.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.5	-179.1	176.3	0	0	0	0	0	114.3	A760 F788 I789	A760-G912 CarbonylContact O-C 3.52Å; A760-G912 WeakPolarHBondContact O-CA 3.41Å; F788-G912 WeakPolarHBondContact CA-O 3.16Å; F788-G912 WeakPolarHBondContact CB-O 3.34Å; I789-G912 PolarHBondContact N-O 2.93Å; I789-G912 PolarHBondContact O-N 2.02Å
913	V	98.1	Very high	95.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	154.4	175.8	-63.8	0	0	0	0	111	W740 I749 L759 A760 W923	W740-V913 HydrophobicContact CE3-CG2 4.14Å; W740-V913 HydrophobicContact CH2-CG2 4.11Å; W740-V913 HydrophobicContact CZ3-CG2 3.6Å; I749-V913 HydrophobicContact CD1-CG1 4.22Å; I749-V913 HydrophobicContact CD1-CG2 3.94Å; I749-V913 HydrophobicContact CG2-CG2 4.14Å; L759-V913 WeakPolarHBondContact CA-O 3.49Å; A760-V913 HydrophobicContact CB-CG2 3.84Å; A760-V913 PolarHBondContact N-O 2.78Å; A760-V913 VanDerWaalsContact N-O 3.14Å; A760-V913 PolarHBondContact O-N 3.14Å; V913-W923 HydrophobicContact CB-CD2 3.83Å; V913-W923 HydrophobicContact CB-CE3 4.28Å; V913-W923 HydrophobicContact CB-CG 4.12Å; V913-W923 HydrophobicContact CB-CZ2 4.11Å; V913-W923 HydrophobicContact CG1-CB 3.95Å; V913-W923 HydrophobicContact CG1-CD2 3.77Å; V913-W923 HydrophobicContact CG1-CE3 4.43Å; V913-W923 HydrophobicContact CG1-CG 3.52Å; V913-W923 HydrophobicContact CG2-CD2 4.31Å; V913-W923 HydrophobicContact CG2-CE3 4.27Å; V913-W923 HydrophobicContact CG2-CZ3 4.44Å
914	F	97.6	Very high	96	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	131.5	-174.7	166	-107.4	0	0	0	111.4	L728 P757 L759 A786 G787 I789 V800 M802 F916 W923	L728-F914 HydrophobicContact CD1-CD2 4.5Å; L728-F914 HydrophobicContact CD1-CE2 4.19Å; P757-F914 HydrophobicContact CB-CE2 4.45Å; L759-F914 HydrophobicContact CD2-CB 3.79Å; L759-F914 HydrophobicContact CD2-CD2 3.47Å; L759-F914 VanDerWaalsContact CD2-CD2 3.47Å; L759-F914 HydrophobicContact CD2-CE2 4.48Å; L759-F914 HydrophobicContact CD2-CG 4.06Å; A786-F914 CarbonylContact C-O 3.58Å; A786-F914 WeakPolarHBondContact CA-O 3.29Å; G787-F914 PolarHBondContact N-O 2.82Å; G787-F914 PolarHBondContact O-N 3.42Å; I789-F914 HydrophobicContact CG2-CB 4.07Å; V800-F914 HydrophobicContact CG2-CB 4.42Å; V800-F914 HydrophobicContact CG2-CD1 3.87Å; V800-F914 HydrophobicContact CG2-CE1 4.31Å; V800-F914 HydrophobicContact CG2-CG 4.1Å; M802-F914 HydrophobicContact CB-CD1 4.16Å; M802-F914 HydrophobicContact CB-CE1 3.9Å; M802-F914 HydrophobicContact CE-CE1 4.14Å; M802-F914 HydrophobicContact CE-CZ 4.39Å; F914-F916 HydrophobicContact CE1-CB 4.27Å; F914-F916 HydrophobicContact CE2-CB 4.13Å; F914-F916 HydrophobicContact CZ-CB 3.64Å; F914-F916 HydrophobicContact CZ-CD1 4.18Å; F914-F916 HydrophobicContact CZ-CG 4.43Å; F914-W923 WeakPolarHBondContact O-CZ2 3.3Å
915	C	95.8	Very high	96.1	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	149.6	169.4	65.4	0	0	0	0	110.8	W740 Q751 P757 G758 I921 W923	W740-C915 HydrophobicContact CH2-CB 4.21Å; W740-C915 WeakPolarHBondContact CH2-SG 3.26Å; Q751-C915 HydrophobicContact CG-CB 4.46Å; P757-C915 WeakPolarHBondContact CA-O 3.33Å; G758-C915 PolarHBondContact N-O 2.91Å; G758-C915 PolarHBondContact O-N 2.9Å; C915-I921 HydrophobicContact CB-CD1 3.62Å; C915-W923 HydrophobicContact CB-CH2 4.19Å
916	F	95.3	Very high	96.3	Very high	2 Å²	2	12.6 Å²	12.6	1%	0.009	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	106.1	170.2	-175.8	174.5	0	0	0	109.1	P757 Y785 Y810 R840 L843 W844 F914 Q918	P757-F916 HydrophobicContact CB-CB 4.04Å; P757-F916 HydrophobicContact CB-CD1 3.78Å; P757-F916 HydrophobicContact CB-CD2 3.84Å; P757-F916 HydrophobicContact CB-CE1 4.1Å; P757-F916 HydrophobicContact CB-CE2 4.2Å; P757-F916 HydrophobicContact CB-CG 3.64Å; P757-F916 HydrophobicContact CB-CZ 4.32Å; P757-F916 HydrophobicContact CG-CD1 4.43Å; P757-F916 HydrophobicContact CG-CD2 4.17Å; P757-F916 HydrophobicContact CG-CE1 4.28Å; P757-F916 HydrophobicContact CG-CE2 4.05Å; P757-F916 HydrophobicContact CG-CG 4.39Å; P757-F916 HydrophobicContact CG-CZ 4.11Å; Y785-F916 PolarHBondContact N-O 3.31Å; Y785-F916 VanDerWaalsContact N-O 3.15Å; Y785-F916 PolarHBondContact O-N 3.4Å; Y810-F916 HydrophobicContact CD2-CZ 4.5Å; Y810-F916 AromaticContact CE2-CE2 3.95Å; Y810-F916 HydrophobicContact CE2-CE2 3.95Å; Y810-F916 AromaticContact CE2-CZ 3.83Å; Y810-F916 HydrophobicContact CE2-CZ 3.83Å; R840-F916 HydrophobicContact CG-CE1 4.05Å; R840-F916 HydrophobicContact CG-CE2 4.41Å; R840-F916 HydrophobicContact CG-CZ 3.5Å; L843-F916 HydrophobicContact CB-CE1 4.48Å; W844-F916 HydrophobicContact CB-CE1 4.1Å; W844-F916 HydrophobicContact CE3-CD1 4.08Å; W844-F916 HydrophobicContact CE3-CD2 4.28Å; W844-F916 AromaticContact CE3-CE1 3.74Å; W844-F916 HydrophobicContact CE3-CE1 3.74Å; W844-F916 AromaticContact CE3-CE2 3.91Å; W844-F916 HydrophobicContact CE3-CE2 3.91Å; W844-F916 HydrophobicContact CE3-CG 4.35Å; W844-F916 AromaticContact CE3-CZ 3.63Å; W844-F916 HydrophobicContact CE3-CZ 3.63Å; W844-F916 HydrophobicContact CZ3-CD2 4.25Å; W844-F916 HydrophobicContact CZ3-CE2 4.07Å; W844-F916 HydrophobicContact CZ3-CZ 4.25Å; F914-F916 HydrophobicContact CE1-CB 4.27Å; F914-F916 HydrophobicContact CE2-CB 4.13Å; F914-F916 HydrophobicContact CZ-CB 3.64Å; F914-F916 HydrophobicContact CZ-CD1 4.18Å; F914-F916 HydrophobicContact CZ-CG 4.43Å; F916-Q918 VanDerWaalsContact C-N 3.29Å; F916-Q918 PolarHBondContact O-N 3.49Å
917	S	92.9	Very high	96.3	Very high	8 Å²	8	17 Å²	17	6%	0.056	8%	0.077	C	C	.	.	S	Bend	trans	65.1	25.9	175.5	-166.9	0	0	0	0	114.4	N754 S755 D784 W811	N754-S917 WeakPolarHBondContact OD1-CA 3.34Å; N754-S917 PolarHBondContact OD1-O 2.6Å; N754-S917 VanDerWaalsContact OD1-O 3.08Å; N754-S917 PolarHBondContact OD1-OG 3.44Å; S755-S917 VanDerWaalsContact O-CA 3.32Å; S755-S917 WeakPolarHBondContact O-CA 2.99Å; S755-S917 PolarHBondContact O-N 2.99Å; D784-S917 WeakPolarHBondContact CB-O 3.05Å; D784-S917 WeakPolarHBondContact OD2-CB 3.34Å; D784-S917 PolarHBondContact OD2-OG 3.48Å; W811-S917 WeakPolarHBondContact CH2-OG 3.49Å
918	Q	94.8	Very high	96.3	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	6%	0.063	C	C	.	.			trans	-129.3	132.4	178.9	176.8	65.3	60.7	0	0	110.1	Q751 V777 T781 D784 F916 I921	Q751-Q918 PolarHBondContact OE1-O 3.25Å; Q751-Q918 VanDerWaalsContact OE1-O 3.13Å; V777-Q918 HydrophobicContact CG1-CG 4.49Å; T781-Q918 PolarHBondContact O-NE2 3.26Å; D784-Q918 HydrophobicContact CB-CB 4.06Å; D784-Q918 VanDerWaalsContact N-OE1 3.08Å; F916-Q918 VanDerWaalsContact C-N 3.29Å; F916-Q918 PolarHBondContact O-N 3.49Å; Q918-I921 HydrophobicContact CB-CD1 3.96Å; Q918-I921 HydrophobicContact CB-CG1 4.37Å; Q918-I921 HydrophobicContact CG-CD1 3.84Å; Q918-I921 HydrophobicContact CG-CG1 3.69Å; Q918-I921 WeakPolarHBondContact O-CD1 2.99Å
919	E	94.1	Very high	96.3	Very high	52 Å²	52	16.4 Å²	16.4	24%	0.243	8%	0.075	C	C	.	.			trans	-101.6	163.1	179.2	68	-175	169.6	0	0	112.6	N754 T779 T781 I921	N754-E919 HydrophobicContact CB-CB 4.29Å; T779-E919 HydrophobicContact CG2-CG 4.26Å; T781-E919 WeakPolarHBondContact CB-OE1 3.35Å; T781-E919 PolarHBondContact OG1-OE1 3.18Å; E919-I921 PolarHBondContact O-N 3.37Å
920	N	94.7	Very high	96.2	Very high	57 Å²	57	17.9 Å²	17.9	31%	0.305	8%	0.083	S	C	.	.	S	Bend	trans	55.7	45.5	174.7	-63.3	-58.5	0	0	0	113.6	Q751 N778 T779	Q751-N920 CarbonylContact O-C 3.5Å; Q751-N920 WeakPolarHBondContact O-CA 3.1Å; Q751-N920 PolarHBondContact O-N 3.29Å; N778-N920 PolarHBondContact N-O 3Å; T779-N920 HydrophobicContact CG2-CB 4.08Å
921	I	97.2	Very high	95.8	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	135	175.5	-49.8	157.4	0	0	0	108.8	V750 Q751 F775 A786 C915 Q918 E919 W923	V750-I921 CarbonylContact C-O 3.59Å; V750-I921 WeakPolarHBondContact CA-O 3.35Å; Q751-I921 PolarHBondContact N-O 2.9Å; Q751-I921 PolarHBondContact O-N 2.85Å; F775-I921 HydrophobicContact CD2-CG2 4.19Å; F775-I921 HydrophobicContact CE2-CG2 3.82Å; A786-I921 HydrophobicContact CB-CD1 3.61Å; A786-I921 HydrophobicContact CB-CG1 4.1Å; A786-I921 HydrophobicContact CB-CG2 4.11Å; C915-I921 HydrophobicContact CB-CD1 3.62Å; Q918-I921 HydrophobicContact CB-CD1 3.96Å; Q918-I921 HydrophobicContact CB-CG1 4.37Å; Q918-I921 HydrophobicContact CG-CD1 3.84Å; Q918-I921 HydrophobicContact CG-CG1 3.69Å; Q918-I921 WeakPolarHBondContact O-CD1 2.99Å; E919-I921 PolarHBondContact O-N 3.37Å; I921-W923 HydrophobicContact CB-CE3 4.34Å; I921-W923 HydrophobicContact CB-CH2 3.54Å; I921-W923 HydrophobicContact CB-CZ2 4.04Å; I921-W923 HydrophobicContact CB-CZ3 3.7Å; I921-W923 HydrophobicContact CD1-CH2 3.64Å; I921-W923 HydrophobicContact CD1-CZ2 4.04Å; I921-W923 HydrophobicContact CG1-CH2 4.23Å; I921-W923 HydrophobicContact CG2-CD2 3.91Å; I921-W923 HydrophobicContact CG2-CE3 3.94Å; I921-W923 HydrophobicContact CG2-CH2 3.43Å; I921-W923 VanDerWaalsContact CG2-CH2 3.43Å; I921-W923 HydrophobicContact CG2-CZ2 3.4Å; I921-W923 VanDerWaalsContact CG2-CZ2 3.4Å; I921-W923 HydrophobicContact CG2-CZ3 3.7Å
922	I	97.7	Very high	95.3	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.01	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	123	175.4	-53.8	175.8	0	0	0	107.7	T484 P485 Q500 E748 V750 H776 N778	T484-I922 HydrophobicContact CG2-CD1 4.02Å; P485-I922 HydrophobicContact CB-CG2 4.33Å; Q500-I922 HydrophobicContact CG-CD1 4.48Å; E748-I922 HydrophobicContact CG-CG2 4.39Å; V750-I922 HydrophobicContact CG1-CG1 4.29Å; V750-I922 HydrophobicContact CG2-CG1 4.24Å; V750-I922 HydrophobicContact CG2-CG2 4.3Å; H776-I922 HydrophobicContact CB-CB 4.38Å; H776-I922 PolarHBondContact N-O 3.4Å; H776-I922 PolarHBondContact O-N 3.14Å; N778-I922 HydrophobicContact CB-CD1 3.91Å
923	W	98.2	Very high	94.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	96.2	164.6	-61	-95.9	0	0	0	107.4	W740 E748 I749 Q751 T774 G787 W873 V913 F914 C915 I921 L926	W740-W923 HydrophobicContact CE3-CZ3 4.32Å; W740-W923 HydrophobicContact CH2-CH2 4.33Å; W740-W923 AromaticContact CZ3-CH2 3.69Å; W740-W923 HydrophobicContact CZ3-CH2 3.69Å; W740-W923 AromaticContact CZ3-CZ3 3.66Å; W740-W923 HydrophobicContact CZ3-CZ3 3.66Å; E748-W923 CarbonylContact C-O 3.6Å; E748-W923 VanDerWaalsContact CA-O 3.29Å; E748-W923 WeakPolarHBondContact CA-O 3.46Å; I749-W923 HydrophobicContact CB-CE3 4.35Å; I749-W923 HydrophobicContact CG2-CE3 4.29Å; I749-W923 PolarHBondContact N-O 2.92Å; I749-W923 PolarHBondContact O-N 3.34Å; Q751-W923 HydrophobicContact CB-CH2 3.89Å; Q751-W923 HydrophobicContact CB-CZ3 3.54Å; T774-W923 CarbonylContact O-C 3.59Å; T774-W923 VanDerWaalsContact O-CA 3.3Å; T774-W923 WeakPolarHBondContact O-CA 3.38Å; G787-W923 PolarHBondContact O-NE1 2.96Å; W873-W923 HydrophobicContact CH2-CB 4.12Å; W873-W923 AromaticContact CH2-CD1 3.51Å; W873-W923 HydrophobicContact CH2-CG 4.2Å; W873-W923 AromaticContact CZ3-CD1 3.74Å; V913-W923 HydrophobicContact CB-CD2 3.83Å; V913-W923 HydrophobicContact CB-CE3 4.28Å; V913-W923 HydrophobicContact CB-CG 4.12Å; V913-W923 HydrophobicContact CB-CZ2 4.11Å; V913-W923 HydrophobicContact CG1-CB 3.95Å; V913-W923 HydrophobicContact CG1-CD2 3.77Å; V913-W923 HydrophobicContact CG1-CE3 4.43Å; V913-W923 HydrophobicContact CG1-CG 3.52Å; V913-W923 HydrophobicContact CG2-CD2 4.31Å; V913-W923 HydrophobicContact CG2-CE3 4.27Å; V913-W923 HydrophobicContact CG2-CZ3 4.44Å; F914-W923 WeakPolarHBondContact O-CZ2 3.3Å; C915-W923 HydrophobicContact CB-CH2 4.19Å; I921-W923 HydrophobicContact CB-CE3 4.34Å; I921-W923 HydrophobicContact CB-CH2 3.54Å; I921-W923 HydrophobicContact CB-CZ2 4.04Å; I921-W923 HydrophobicContact CB-CZ3 3.7Å; I921-W923 HydrophobicContact CD1-CH2 3.64Å; I921-W923 HydrophobicContact CD1-CZ2 4.04Å; I921-W923 HydrophobicContact CG1-CH2 4.23Å; I921-W923 HydrophobicContact CG2-CD2 3.91Å; I921-W923 HydrophobicContact CG2-CE3 3.94Å; I921-W923 HydrophobicContact CG2-CH2 3.43Å; I921-W923 VanDerWaalsContact CG2-CH2 3.43Å; I921-W923 HydrophobicContact CG2-CZ2 3.4Å; I921-W923 VanDerWaalsContact CG2-CZ2 3.4Å; I921-W923 HydrophobicContact CG2-CZ3 3.7Å; W923-L926 HydrophobicContact CB-CD1 4.44Å; W923-L926 HydrophobicContact CB-CD2 4.07Å; W923-L926 HydrophobicContact CB-CG 4.45Å
924	S	97.3	Very high	94.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	157.4	-173	-176.5	0	0	0	0	111.8	P485 S487 E748 T774 L926	P485-S924 VanDerWaalsContact CB-CB 3.43Å; S487-S924 WeakPolarHBondContact CB-OG 3.28Å; S487-S924 PolarHBondContact OG-OG 3.42Å; E748-S924 WeakPolarHBondContact OE2-CB 3.29Å; E748-S924 PolarHBondContact OE2-OG 3.29Å; T774-S924 WeakPolarHBondContact CB-O 3.34Å; T774-S924 PolarHBondContact N-O 2.89Å; T774-S924 PolarHBondContact O-N 2.04Å; S924-L926 PolarHBondContact O-N 3.11Å; S924-L926 VanDerWaalsContact O-N 3.15Å
925	N	96.1	Very high	93.8	Very high	34 Å²	34	31.8 Å²	31.8	18%	0.182	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	47.4	47	175.5	-169.4	13.5	0	0	0	112.2	D460 S487 M747 R872	D460-N925 WeakPolarHBondContact O-CB 3.39Å; D460-N925 PolarHBondContact O-ND2 2.96Å; S487-N925 PolarHBondContact OG-N 2.83Å; S487-N925 VanDerWaalsContact OG-N 3.14Å; M747-N925 PolarHBondContact O-N 2.93Å; R872-N925 PolarHBondContact NH1-ND2 2.88Å; R872-N925 PolarHBondContact NH1-O 3.47Å
926	L	97.3	Very high	93.1	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	133.8	176	-67.3	176.4	0	0	0	109	T718 F720 M747 I749 F771 W873 W923 S924	T718-L926 HydrophobicContact CG2-CB 4.38Å; T718-L926 WeakPolarHBondContact CG2-O 3.13Å; F720-L926 HydrophobicContact CD2-CD1 3.9Å; F720-L926 HydrophobicContact CE2-CB 4.33Å; F720-L926 HydrophobicContact CE2-CD1 4.11Å; M747-L926 WeakPolarHBondContact O-CB 2.99Å; M747-L926 PolarHBondContact O-N 3.24Å; I749-L926 HydrophobicContact CD1-CD1 3.85Å; I749-L926 HydrophobicContact CG1-CD1 3.9Å; F771-L926 HydrophobicContact CE2-CD2 4.11Å; F771-L926 HydrophobicContact CZ-CD2 3.97Å; W873-L926 HydrophobicContact CH2-CD2 3.52Å; W873-L926 HydrophobicContact CZ2-CD2 3.52Å; W923-L926 HydrophobicContact CB-CD1 4.44Å; W923-L926 HydrophobicContact CB-CD2 4.07Å; W923-L926 HydrophobicContact CB-CG 4.45Å; S924-L926 PolarHBondContact O-N 3.11Å; S924-L926 VanDerWaalsContact O-N 3.15Å
927	R	95.3	Very high	92.6	Very high	95 Å²	95	42.7 Å²	42.7	36%	0.358	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	124.8	177.4	-173.7	-178.7	-175.3	170.6	8.2	110	F771 E772	F771-R927 WeakPolarHBondContact CD2-O 3.45Å; E772-R927 HydrophobicContact CG-CB 3.99Å; E772-R927 PolarHBondContact N-O 2.77Å; E772-R927 PolarHBondContact O-N 2.68Å; E772-R927 VanDerWaalsContact O-O 3.12Å
928	Y	96.3	Very high	92.1	Very high	7 Å²	7	43.8 Å²	43.8	3%	0.027	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	163.4	163.3	50.4	-106.7	0	0	0	110.6	V708 V715 L717 T718 D719 F720 F766 D770 L911	V708-Y928 HydrophobicContact CG1-CD2 3.37Å; V708-Y928 HydrophobicContact CG1-CE2 3.61Å; V708-Y928 HydrophobicContact CG1-CG 4.49Å; V708-Y928 WeakPolarHBondContact CG1-O 3.37Å; V715-Y928 HydrophobicContact CG1-CE2 3.91Å; L717-Y928 PolarHBondContact O-OH 3.05Å; T718-Y928 HydrophobicContact CG2-CD1 3.71Å; T718-Y928 HydrophobicContact CG2-CE1 3.6Å; T718-Y928 HydrophobicContact CG2-CG 4.41Å; T718-Y928 PolarHBondContact OG1-N 2.92Å; D719-Y928 PolarHBondContact N-OH 3.07Å; D719-Y928 VanDerWaalsContact N-OH 3.15Å; F720-Y928 HydrophobicContact CD2-CE1 4.27Å; F720-Y928 AromaticContact CE2-CD1 3.71Å; F720-Y928 HydrophobicContact CE2-CD1 3.71Å; F720-Y928 AromaticContact CE2-CE1 3.59Å; F720-Y928 HydrophobicContact CE2-CE1 3.59Å; F720-Y928 AromaticContact CZ-CD1 3.86Å; F720-Y928 HydrophobicContact CZ-CD1 3.86Å; F720-Y928 AromaticContact CZ-CE1 3.83Å; F720-Y928 HydrophobicContact CZ-CE1 3.83Å; F766-Y928 AromaticContact CE1-CD2 3.71Å; F766-Y928 HydrophobicContact CE1-CD2 3.71Å; F766-Y928 AromaticContact CE1-CE2 3.98Å; F766-Y928 HydrophobicContact CE1-CE2 3.98Å; F766-Y928 HydrophobicContact CE1-CG 4.36Å; F766-Y928 HydrophobicContact CZ-CD1 4.27Å; F766-Y928 AromaticContact CZ-CD2 3.47Å; F766-Y928 HydrophobicContact CZ-CD2 3.47Å; F766-Y928 VanDerWaalsContact CZ-CD2 3.47Å; F766-Y928 HydrophobicContact CZ-CE1 4.29Å; F766-Y928 AromaticContact CZ-CE2 3.54Å; F766-Y928 HydrophobicContact CZ-CE2 3.54Å; F766-Y928 AromaticContact CZ-CG 3.87Å; F766-Y928 HydrophobicContact CZ-CG 3.87Å; F766-Y928 AromaticContact CZ-CZ 3.94Å; D770-Y928 CarbonylContact O-C 3.58Å; D770-Y928 VanDerWaalsContact O-CA 3.23Å; D770-Y928 WeakPolarHBondContact O-CA 3.4Å; L911-Y928 HydrophobicContact CD1-CD1 3.87Å; L911-Y928 HydrophobicContact CD1-CG 3.96Å
929	R	94.1	Very high	91.4	Very high	62 Å²	62	46.4 Å²	46.4	23%	0.234	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	131.4	171.7	-163.4	-170.6	-175.1	169.4	7.3	109.7	E433 V708 V769 D770 N931	E433-R929 IonicContact OE2-NH2 2.85Å; V708-R929 WeakPolarHBondContact O-CA 3.25Å; V708-R929 WeakPolarHBondContact O-CG 3.21Å; V769-R929 WeakPolarHBondContact CA-O 3.34Å; D770-R929 PolarHBondContact N-O 2.78Å; D770-R929 PolarHBondContact O-N 3.48Å; R929-N931 PolarHBondContact O-N 3.06Å
930	C	93.5	Very high	90.6	Very high	36 Å²	36	46.2 Å²	46.2	24%	0.243	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	126.6	169.5	-66.2	0	0	0	0	109.2	V708 C709	V708-C930 PolarHBondContact O-N 2.87Å; V708-C930 VanDerWaalsContact O-N 3.15Å; C709-C930 HydrophobicContact CB-CB 3.69Å; C709-C930 WeakPolarHBondContact CB-SG 3Å; C709-C930 WeakPolarHBondContact SG-CB 3.31Å; C709-C930 PolarHBondContact SG-N 3.33Å; C709-C930 VanDerWaalsContact SG-N 3.4Å; C709-C930 CovalentContact SG-SG 2.03Å; C709-C930 PolarHBondContact SG-SG 3.06Å
931	N	91.2	Very high	89.9	Confident	42 Å²	42	46.2 Å²	46.2	23%	0.225	25%	0.25	C	C	.	.			trans	-156.7	104.6	179.7	-169.4	-3.4	0	0	0	111.2	G768 D770 R878 R929 T933	G768-N931 CarbonylContact C-O 3.56Å; G768-N931 WeakPolarHBondContact CA-O 3.31Å; G768-N931 PolarHBondContact O-N 2.8Å; D770-N931 PolarHBondContact OD2-ND2 2.78Å; R878-N931 WeakPolarHBondContact CD-O 3.39Å; R878-N931 PolarHBondContact NE-O 3.48Å; R878-N931 PolarHBondContact NH1-O 2.73Å; R878-N931 PolarHBondContact NH2-ND2 2.78Å; R929-N931 PolarHBondContact O-N 3.06Å; N931-T933 WeakPolarHBondContact OD1-CB 3.35Å; N931-T933 PolarHBondContact OD1-N 2.03Å; N931-T933 VanDerWaalsContact OD1-N 3.09Å
932	D	86.9	Confident	89	Confident	81 Å²	81	53.8 Å²	53.8	43%	0.433	28%	0.278	S	S	.	.			trans	-93.9	-3.4	177.3	-57.2	-61.7	0	0	0	113.4	G768 Q880 V934	G768-D932 WeakPolarHBondContact CA-OD1 3.05Å; G768-D932 PolarHBondContact N-OD1 2.87Å; Q880-D932 PolarHBondContact NE2-O 2.92Å; D932-V934 PolarHBondContact O-N 3.5Å; D932-V934 VanDerWaalsContact O-N 3.16Å
933	T	86.6	Confident	87.8	Confident	105 Å²	105	59.5 Å²	59.5	64%	0.644	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-69.9	117.7	178.9	-59	0	0	0	0	109.7	R878 N931 P935	R878-T933 PolarHBondContact NE-O 3.26Å; N931-T933 WeakPolarHBondContact OD1-CB 3.35Å; N931-T933 PolarHBondContact OD1-N 2.03Å; N931-T933 VanDerWaalsContact OD1-N 3.09Å; T933-P935 WeakPolarHBondContact O-CD 3.47Å
934	V	87.1	Confident	86.5	Confident	53 Å²	53	65.4 Å²	65.4	32%	0.321	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-69.4	125.3	179	-178.7	0	0	0	0	110.2	Q880 V881 D932 F938	Q880-V934 HydrophobicContact CG-CG2 4.4Å; V881-V934 HydrophobicContact CG1-CG2 4.37Å; V881-V934 HydrophobicContact CG2-CG1 4.02Å; V881-V934 HydrophobicContact CG2-CG2 4Å; D932-V934 PolarHBondContact O-N 3.5Å; D932-V934 VanDerWaalsContact O-N 3.16Å; V934-F938 HydrophobicContact CG1-CB 3.82Å; V934-F938 HydrophobicContact CG1-CD1 3.61Å; V934-F938 HydrophobicContact CG1-CE1 4.4Å; V934-F938 HydrophobicContact CG1-CG 3.87Å
935	P	87.4	Confident	85.1	Confident	31 Å²	31	71.5 Å²	71.5	20%	0.201	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-58.6	144.1	179.5	-30.8	39.6	0	0	0	114.6	Y883 T933 D937 F938	Y883-P935 HydrophobicContact CD1-CG 4.29Å; Y883-P935 HydrophobicContact CE1-CB 4.39Å; Y883-P935 HydrophobicContact CE1-CG 3.76Å; Y883-P935 HydrophobicContact CE2-CB 4.17Å; Y883-P935 HydrophobicContact CE2-CG 4.3Å; T933-P935 WeakPolarHBondContact O-CD 3.47Å; P935-D937 WeakPolarHBondContact CB-OD1 3.36Å; P935-D937 PolarHBondContact O-N 3.46Å; P935-F938 WeakPolarHBondContact O-CB 3.11Å; P935-F938 PolarHBondContact O-N 3.11Å; P935-F938 VanDerWaalsContact O-N 3.1Å
936	E	81.7	Confident	83.6	Confident	186 Å²	186	74.4 Å²	74.4	87%	0.869	37%	0.374	S	S	*	.	H	α-helix	trans	-60.5	-30.2	-176.7	-64.5	-174.5	169	0	0	113.8	F938 A939	E936-F938 PolarHBondContact O-N 3.4Å; E936-A939 PolarHBondContact O-N 2.82Å
937	D	83.8	Confident	81.6	Confident	44 Å²	44	81 Å²	81	24%	0.235	41%	0.407	C	S	.	.	H	α-helix	trans	-68.2	-18.4	179.9	66	-18.8	0	0	0	113.1	Y883 R885 P935 A940 H941	Y883-D937 WeakPolarHBondContact CE2-OD1 3.44Å; Y883-D937 PolarHBondContact OH-OD1 3.33Å; Y883-D937 PolarHBondContact OH-OD2 3.38Å; Y883-D937 VanDerWaalsContact OH-OD2 3.05Å; R885-D937 IonicContact CZ-OD2 2.69Å; R885-D937 IonicContact NH1-OD2 2.91Å; R885-D937 PolarHBondContact NH1-OD2 3.3Å; P935-D937 WeakPolarHBondContact CB-OD1 3.36Å; P935-D937 PolarHBondContact O-N 3.46Å; D937-A940 PolarHBondContact O-N 2.93Å; D937-H941 WeakPolarHBondContact O-CB 3.14Å; D937-H941 PolarHBondContact O-N 2.9Å
938	F	83.1	Confident	79.7	Confident	31 Å²	31	83.7 Å²	83.7	14%	0.136	42%	0.423	C	S	.	.	H	α-helix	trans	-61.5	-46.6	173	179.9	-113.3	0	0	0	112	V881 Y883 V900 I902 V934 P935 E936 A940 H941 R942	V881-F938 HydrophobicContact CB-CE1 4Å; V881-F938 HydrophobicContact CB-CE2 4.3Å; V881-F938 HydrophobicContact CB-CZ 3.7Å; V881-F938 HydrophobicContact CG1-CE1 4.07Å; V881-F938 HydrophobicContact CG1-CZ 4.21Å; V881-F938 HydrophobicContact CG2-CE1 4.22Å; V881-F938 HydrophobicContact CG2-CE2 4.3Å; V881-F938 HydrophobicContact CG2-CZ 4.06Å; Y883-F938 HydrophobicContact CD2-CB 3.95Å; Y883-F938 AromaticContact CD2-CD2 3.85Å; Y883-F938 HydrophobicContact CD2-CD2 3.85Å; Y883-F938 HydrophobicContact CD2-CG 4.26Å; Y883-F938 HydrophobicContact CE2-CB 4.15Å; V900-F938 HydrophobicContact CG1-CD2 4.45Å; I902-F938 HydrophobicContact CD1-CE2 3.93Å; I902-F938 HydrophobicContact CG1-CE2 4.36Å; V934-F938 HydrophobicContact CG1-CB 3.82Å; V934-F938 HydrophobicContact CG1-CD1 3.61Å; V934-F938 HydrophobicContact CG1-CE1 4.4Å; V934-F938 HydrophobicContact CG1-CG 3.87Å; P935-F938 WeakPolarHBondContact O-CB 3.11Å; P935-F938 PolarHBondContact O-N 3.11Å; P935-F938 VanDerWaalsContact O-N 3.1Å; E936-F938 PolarHBondContact O-N 3.4Å; F938-A940 VanDerWaalsContact C-N 3.33Å; F938-A940 PolarHBondContact O-N 3.42Å; F938-H941 PolarHBondContact O-N 2.91Å; F938-R942 WeakPolarHBondContact O-CB 3.36Å; F938-R942 PolarHBondContact O-N 3.18Å
939	A	79.9	Confident	77.6	Confident	55 Å²	55	88.6 Å²	88.6	46%	0.455	45%	0.449	S	S	.	.	H	α-helix	trans	-63.1	-42.5	180	0	0	0	0	0	111.3	E936 R942 Q943	E936-A939 PolarHBondContact O-N 2.82Å; A939-R942 PolarHBondContact O-N 3.2Å; A939-Q943 WeakPolarHBondContact O-CG 3.17Å; A939-Q943 PolarHBondContact O-N 3.01Å
940	A	78.1	Confident	75.1	Confident	49 Å²	49	93.9 Å²	93.9	41%	0.405	48%	0.476	S	S	.	.	H	α-helix	trans	-63.5	-42.8	176.3	0	0	0	0	0	112	D937 F938 Q943 Q944	D937-A940 PolarHBondContact O-N 2.93Å; F938-A940 VanDerWaalsContact C-N 3.33Å; F938-A940 PolarHBondContact O-N 3.42Å; A940-Q943 PolarHBondContact O-N 2.93Å; A940-Q944 WeakPolarHBondContact O-CG 3.35Å; A940-Q944 PolarHBondContact O-N 3.46Å; A940-Q944 VanDerWaalsContact O-N 3.14Å
941	H	80.2	Confident	72.4	Confident	57 Å²	57	101.1 Å²	101.1	26%	0.264	52%	0.519	S	S	.	.	H	α-helix	trans	-64.5	-45.8	177	-174.2	79.9	0	0	0	111.9	V900 D937 F938 Q943 Q944 F945	V900-H941 HydrophobicContact CB-CB 4.28Å; V900-H941 HydrophobicContact CG1-CB 4.38Å; V900-H941 HydrophobicContact CG2-CB 4.23Å; D937-H941 WeakPolarHBondContact O-CB 3.14Å; D937-H941 PolarHBondContact O-N 2.9Å; F938-H941 PolarHBondContact O-N 2.91Å; H941-Q943 VanDerWaalsContact C-N 3.31Å; H941-Q943 PolarHBondContact O-N 2.81Å; H941-Q944 WeakPolarHBondContact O-CB 3.47Å; H941-Q944 PolarHBondContact O-N 2.02Å; H941-Q944 VanDerWaalsContact O-N 3.12Å; H941-F945 PolarHBondContact O-N 3.1Å
942	R	77.9	Confident	71.4	Confident	158 Å²	158	104.1 Å²	104.1	60%	0.596	53%	0.533	S	S	*	.	H	α-helix	trans	-58.6	-41.7	177.3	-173	-180	175.5	-162.4	-0.4	111.8	F938 A939 F945 L946	F938-R942 WeakPolarHBondContact O-CB 3.36Å; F938-R942 PolarHBondContact O-N 3.18Å; A939-R942 PolarHBondContact O-N 3.2Å; R942-F945 PolarHBondContact O-N 3.42Å; R942-L946 HydrophobicContact CG-CD1 4.13Å; R942-L946 WeakPolarHBondContact O-CB 3.42Å; R942-L946 WeakPolarHBondContact O-CG 3.21Å; R942-L946 PolarHBondContact O-N 2.79Å
943	Q	72.4	Confident	70.6	Confident	122 Å²	122	105.3 Å²	105.3	57%	0.57	54%	0.539	S	S	*	.	H	α-helix	trans	-62.8	-43.1	175	-74	-178.3	0.9	0	0	112.4	A939 A940 H941 F945 L946 M947	A939-Q943 WeakPolarHBondContact O-CG 3.17Å; A939-Q943 PolarHBondContact O-N 3.01Å; A940-Q943 PolarHBondContact O-N 2.93Å; H941-Q943 VanDerWaalsContact C-N 3.31Å; H941-Q943 PolarHBondContact O-N 2.81Å; Q943-F945 VanDerWaalsContact C-N 3.33Å; Q943-F945 PolarHBondContact O-N 2.8Å; Q943-L946 PolarHBondContact O-N 3.18Å; Q943-M947 WeakPolarHBondContact O-CG 3.3Å; Q943-M947 PolarHBondContact O-N 3.48Å; Q943-M947 VanDerWaalsContact O-N 3.12Å
944	Q	71.5	Confident	69.7	Low	125 Å²	125	105.3 Å²	105.3	58%	0.584	53%	0.533	S	S	*	.	H	α-helix	trans	-62.7	-39.9	176.6	-72.1	177.9	6.3	0	0	112.2	A940 H941 M947 H948	A940-Q944 WeakPolarHBondContact O-CG 3.35Å; A940-Q944 PolarHBondContact O-N 3.46Å; A940-Q944 VanDerWaalsContact O-N 3.14Å; H941-Q944 WeakPolarHBondContact O-CB 3.47Å; H941-Q944 PolarHBondContact O-N 2.02Å; H941-Q944 VanDerWaalsContact O-N 3.12Å; Q944-M947 PolarHBondContact O-N 3.49Å; Q944-H948 PolarHBondContact O-N 2.05Å; Q944-H948 PolarHBondContact O-ND1 3Å
945	F	67.8	Low	68.7	Low	128 Å²	128	108.4 Å²	108.4	56%	0.561	55%	0.545	S	S	*	.	H	α-helix	trans	-68.2	-44.3	178.8	-156.8	-92.8	0	0	0	111.9	H941 R942 Q943 M947 H948 I949	H941-F945 PolarHBondContact O-N 3.1Å; R942-F945 PolarHBondContact O-N 3.42Å; Q943-F945 VanDerWaalsContact C-N 3.33Å; Q943-F945 PolarHBondContact O-N 2.8Å; F945-M947 VanDerWaalsContact C-N 3.27Å; F945-M947 PolarHBondContact O-N 3.06Å; F945-H948 PolarHBondContact O-N 2.56Å; F945-I949 HydrophobicContact CD1-CD1 3.74Å; F945-I949 HydrophobicContact CD1-CG1 4.36Å; F945-I949 HydrophobicContact CE1-CD1 3.79Å; F945-I949 HydrophobicContact CE1-CG1 4.36Å; F945-I949 PolarHBondContact O-N 3.2Å
946	L	63.9	Low	67.5	Low	94 Å²	94	113.3 Å²	113.3	49%	0.492	57%	0.567	S	S	.	*	H	α-helix	trans	-60.9	-34.4	175.7	-74.1	168.2	0	0	0	112.4	R942 Q943 H948 I949	R942-L946 HydrophobicContact CG-CD1 4.13Å; R942-L946 WeakPolarHBondContact O-CB 3.42Å; R942-L946 WeakPolarHBondContact O-CG 3.21Å; R942-L946 PolarHBondContact O-N 2.79Å; Q943-L946 PolarHBondContact O-N 3.18Å; L946-H948 VanDerWaalsContact C-N 3.31Å; L946-H948 PolarHBondContact O-N 3.36Å; L946-I949 PolarHBondContact O-N 2.98Å
947	M	55.6	Low	66.6	Low	139 Å²	139	108.4 Å²	108.4	69%	0.685	55%	0.546	S	S	*	.	H	α-helix	trans	-67.5	-28.3	173.4	-72.6	-164.9	-175	0	0	113.5	Q943 Q944 F945	Q943-M947 WeakPolarHBondContact O-CG 3.3Å; Q943-M947 PolarHBondContact O-N 3.48Å; Q943-M947 VanDerWaalsContact O-N 3.12Å; Q944-M947 PolarHBondContact O-N 3.49Å; F945-M947 VanDerWaalsContact C-N 3.27Å; F945-M947 PolarHBondContact O-N 3.06Å
948	H	54.8	Low	65.4	Low	152 Å²	152	113 Å²	113	70%	0.704	57%	0.569	S	S	*	*	H	α-helix	trans	-80	-21.3	178.4	-78.3	68.4	0	0	0	113.4	Q944 F945 L946 H950	Q944-H948 PolarHBondContact O-N 2.05Å; Q944-H948 PolarHBondContact O-ND1 3Å; F945-H948 PolarHBondContact O-N 2.56Å; L946-H948 VanDerWaalsContact C-N 3.31Å; L946-H948 PolarHBondContact O-N 3.36Å; H948-H950 VanDerWaalsContact C-N 3.31Å
949	I	52.2	Low	64	Low	110 Å²	110	119.3 Å²	119.3	56%	0.564	60%	0.602	S	S	*	*	H	α-helix	trans	-78.7	-16.7	175.6	-63.7	170.3	0	0	0	111.8	F945 L946	F945-I949 HydrophobicContact CD1-CD1 3.74Å; F945-I949 HydrophobicContact CD1-CG1 4.36Å; F945-I949 HydrophobicContact CE1-CD1 3.79Å; F945-I949 HydrophobicContact CE1-CG1 4.36Å; F945-I949 PolarHBondContact O-N 3.2Å; L946-I949 PolarHBondContact O-N 2.98Å
950	H	40.9	Very low	62.7	Low	174 Å²	174	124.7 Å²	124.7	81%	0.806	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	16.5	178.5	-83.7	1.3	0	0	0	115.1	H948	H948-H950 VanDerWaalsContact C-N 3.31Å
951	V	36.8	Very low	61.3	Low	188 Å²	188	131.5 Å²	131.5	100%	1.139	63%	0.633	S	S	*	*			trans	-108.1	0	175.3	-178.5	0	0	0	0	112.3

Retrieved 951 of 951 residues in 1654 ms (Link to these results)

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