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Protein-L-isoaspartate O-methyltransferase

Initiates the repair of damaged proteins by catalyzing methyl esterification of L-isoaspartyl and D-aspartyl residues produced by spontaneous isomerization and racemization of L-aspartyl and L-asparaginyl residues in aging peptides and proteins. Acts on EIF4EBP2, microtubule-associated protein 2, calreticulin, clathrin light chains a and b, Ubiquitin C-terminal hydrolase isozyme L1, phosphatidylethanolamine-binding protein 1, stathmin, beta-synuclein and alpha-synuclein.

AlphaFold DB , UniProt , Accession A0A096NW19, Species PAPAN (Papio anubis, Olive baboon), Gene PCMT1, Length 285 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.6	Very low	37.9	Very low	236 Å²	236	122.6 Å²	122.6	100%	1.163	84%	0.844	S	S	*	*				0	136.4	0	-79.5	-76.6	-167.9	0	0	107.6
2	P	48	Very low	37.7	Very low	131 Å²	131	127.5 Å²	127.5	85%	0.851	85%	0.854	S	S	*	*			cis	-112.7	177.6	-14.3	30.5	-10.7	0	0	0	109.5
3	G	35.1	Very low	37.8	Very low	67 Å²	67	123 Å²	123	69%	0.691	84%	0.843	S	S	*	*			cis	144.7	138	9.6	0	0	0	0	0	108.7
4	A	40.8	Very low	37.8	Very low	96 Å²	96	122.5 Å²	122.5	79%	0.793	84%	0.841	S	S	*	*			trans	65.3	149	151	0	0	0	0	0	117.5
5	R	39.4	Very low	37.9	Very low	228 Å²	228	124.7 Å²	124.7	86%	0.86	84%	0.84	S	S	*	*			cis	-170.7	133	18.7	-125.7	166.8	-168	-163.4	3.5	106.4
6	S	36.5	Very low	37.7	Very low	113 Å²	113	123.9 Å²	123.9	79%	0.79	84%	0.837	S	S	*	*				74.8	129.3	101.5	75	0	0	0	0	118.3
7	G	35.6	Very low	37.5	Very low	85 Å²	85	120.6 Å²	120.6	88%	0.876	83%	0.828	S	S	*	*			trans	129	117.7	157.1	0	0	0	0	0	111.4
8	G	33.6	Very low	37.3	Very low	74 Å²	74	120 Å²	120	76%	0.763	83%	0.825	S	S	*	*			cis	144.4	113.7	8.6	0	0	0	0	0	108.4
9	S	35	Very low	37.4	Very low	118 Å²	118	125.2 Å²	125.2	83%	0.825	83%	0.827	S	S	*	*			trans	53.1	126.9	151.4	-155	0	0	0	0	120.7
10	S	36.9	Very low	37.5	Very low	121 Å²	121	124.2 Å²	124.2	85%	0.846	82%	0.822	S	S	*	*				177.4	133.5	116.5	-72.9	0	0	0	0	111.2
11	G	38.9	Very low	37.6	Very low	80 Å²	80	122.1 Å²	122.1	83%	0.825	82%	0.823	S	S	*	*			trans	120	81.9	148.7	0	0	0	0	0	116.8
12	D	35.7	Very low	37.7	Very low	181 Å²	181	118.6 Å²	118.6	97%	0.968	81%	0.809	S	S	*	*			trans	-66.5	142.7	157	-86.1	-38	0	0	0	111.1
13	G	39.3	Very low	37.4	Very low	69 Å²	69	117.1 Å²	117.1	71%	0.711	81%	0.808	S	S	*	*			trans	-169.6	74	177.8	0	0	0	0	0	113.5
14	S	37.8	Very low	37.8	Very low	116 Å²	116	119.2 Å²	119.2	81%	0.811	81%	0.811	S	S	*	*			trans	16.5	112.6	150.5	55.9	0	0	0	0	121.6
15	N	38.7	Very low	38.4	Very low	155 Å²	155	118.2 Å²	118.2	83%	0.829	81%	0.811	S	S	*	*				52.2	115.7	119.3	-149.6	24.1	0	0	0	121.4
16	S	35.7	Very low	38.9	Very low	113 Å²	113	111.3 Å²	111.3	79%	0.79	80%	0.802	S	S	*	*				161	137.5	114.1	52.7	0	0	0	0	114.7
17	G	34.4	Very low	40	Very low	67 Å²	67	110.8 Å²	110.8	69%	0.691	79%	0.794	S	S	*	*			trans	66.2	104.4	150.8	0	0	0	0	0	118.8
18	S	33.9	Very low	41.9	Very low	110 Å²	110	110.1 Å²	110.1	77%	0.769	77%	0.773	S	S	*	*				94.8	143	71.4	65.8	0	0	0	0	114.6
19	Y	37.8	Very low	43.7	Very low	219 Å²	219	112.2 Å²	112.2	86%	0.859	77%	0.771	S	S	*	*			trans	89.9	87.2	172.1	-74.6	-86.5	0	0	0	119.3
20	S	40.9	Very low	45.2	Very low	104 Å²	104	116.6 Å²	116.6	73%	0.727	77%	0.769	S	S	*	*			trans	-47.3	135.5	148.2	44.3	0	0	0	0	112.8	D22	S20-D22 PolarHBondContact O-N 3.4Å
21	G	39.5	Very low	46.9	Very low	81 Å²	81	116 Å²	116	84%	0.835	75%	0.753	S	S	*	*			trans	-65.8	122.6	172.8	0	0	0	0	0	112.3	A23	G21-A23 PolarHBondContact O-N 3.41Å
22	D	37.7	Very low	48.3	Very low	163 Å²	163	115.4 Å²	115.4	87%	0.872	73%	0.733	S	S	*	*			trans	-73.3	113.5	165.7	-97.8	-26.1	0	0	0	109.8	S20	S20-D22 PolarHBondContact O-N 3.4Å
23	A	41.2	Very low	49.6	Very low	100 Å²	100	110.7 Å²	110.7	83%	0.826	71%	0.711	S	S	*	*			trans	-91	95.9	158	0	0	0	0	0	107.6	G21 G25	G21-A23 PolarHBondContact O-N 3.41Å; A23-G25 PolarHBondContact O-N 3.07Å; A23-G25 VanDerWaalsContact O-N 3.13Å
24	S	44.2	Very low	51.1	Low	110 Å²	110	109.9 Å²	109.9	77%	0.769	69%	0.694	S	S	*	*			trans	-65.2	107	172.4	43.1	0	0	0	0	109.8	A26	S24-A26 PolarHBondContact O-N 2.73Å
25	G	52.9	Low	52.7	Low	76 Å²	76	110.3 Å²	110.3	78%	0.784	69%	0.687	S	S	*	*			trans	-70.9	77.4	169.3	0	0	0	0	0	110.7	A23 V27	A23-G25 PolarHBondContact O-N 3.07Å; A23-G25 VanDerWaalsContact O-N 3.13Å; G25-V27 PolarHBondContact O-N 3.39Å; G25-V27 VanDerWaalsContact O-N 3.17Å
26	A	51.7	Low	53.6	Low	82 Å²	82	107.4 Å²	107.4	68%	0.678	67%	0.671	S	S	*	*			trans	-72.6	103.6	171.3	0	0	0	0	0	108.9	S24 T28	S24-A26 PolarHBondContact O-N 2.73Å; A26-T28 PolarHBondContact O-N 3.44Å; A26-T28 VanDerWaalsContact O-N 3.16Å
27	V	57.9	Low	54.9	Low	103 Å²	103	104 Å²	104	62%	0.624	65%	0.654	S	S	*	*			trans	-58.6	119.2	169.5	-177.2	0	0	0	0	107.6	G25 E31 V32	G25-V27 PolarHBondContact O-N 3.39Å; G25-V27 VanDerWaalsContact O-N 3.17Å; V27-E31 WeakPolarHBondContact CA-OE2 3.48Å; V27-E31 HydrophobicContact CG1-CB 3.97Å; V27-V32 HydrophobicContact CG1-CG2 3.74Å
28	T	77.3	Confident	56.6	Low	71 Å²	71	107.6 Å²	107.6	44%	0.436	65%	0.651	S	S	.	*			trans	-72.5	147.7	-177.5	60.8	0	0	0	0	110	A26 W30 E31 V32	A26-T28 PolarHBondContact O-N 3.44Å; A26-T28 VanDerWaalsContact O-N 3.16Å; T28-W30 PolarHBondContact O-N 2.66Å; T28-W30 VanDerWaalsContact O-N 3.07Å; T28-E31 PolarHBondContact N-OE2 2.98Å; T28-E31 WeakPolarHBondContact O-CB 3.35Å; T28-E31 PolarHBondContact O-N 2.9Å; T28-E31 VanDerWaalsContact OG1-CG 3.27Å; T28-E31 WeakPolarHBondContact OG1-CG 3.25Å; T28-E31 PolarHBondContact OG1-N 3.27Å; T28-E31 PolarHBondContact OG1-OE2 3.46Å; T28-E31 VanDerWaalsContact OG1-OE2 3.1Å; T28-V32 PolarHBondContact O-N 3.31Å
29	V	69.6	Low	58.2	Low	118 Å²	118	107.6 Å²	107.6	72%	0.715	64%	0.641	S	S	*	*	H	α-helix	trans	-52.2	-34.3	174.2	176.1	0	0	0	0	110.9	V32 V33	V29-V32 PolarHBondContact O-N 3.07Å; V29-V33 HydrophobicContact CG1-CG2 4.3Å; V29-V33 WeakPolarHBondContact O-CB 3.23Å; V29-V33 VanDerWaalsContact O-CG2 3.24Å; V29-V33 WeakPolarHBondContact O-CG2 3.37Å; V29-V33 PolarHBondContact O-N 2.94Å
30	W	67.9	Low	59.6	Low	209 Å²	209	103.1 Å²	103.1	79%	0.792	63%	0.631	S	S	*	*	H	α-helix	trans	-64.1	-38.3	175.2	-98.1	107.3	0	0	0	114.2	T28 S34	T28-W30 PolarHBondContact O-N 2.66Å; T28-W30 VanDerWaalsContact O-N 3.07Å; W30-S34 VanDerWaalsContact O-CB 3.24Å; W30-S34 WeakPolarHBondContact O-CB 3.16Å; W30-S34 PolarHBondContact O-N 3.23Å
31	E	72.3	Confident	61.1	Low	108 Å²	108	100.1 Å²	100.1	51%	0.505	62%	0.617	S	S	.	*	H	α-helix	trans	-67	-40.6	175	-75.9	165.3	148.6	0	0	111.5	V27 T28 S34 L35	V27-E31 WeakPolarHBondContact CA-OE2 3.48Å; V27-E31 HydrophobicContact CG1-CB 3.97Å; T28-E31 PolarHBondContact N-OE2 2.98Å; T28-E31 WeakPolarHBondContact O-CB 3.35Å; T28-E31 PolarHBondContact O-N 2.9Å; T28-E31 VanDerWaalsContact OG1-CG 3.27Å; T28-E31 WeakPolarHBondContact OG1-CG 3.25Å; T28-E31 PolarHBondContact OG1-N 3.27Å; T28-E31 PolarHBondContact OG1-OE2 3.46Å; T28-E31 VanDerWaalsContact OG1-OE2 3.1Å; E31-S34 PolarHBondContact O-N 2.92Å; E31-L35 WeakPolarHBondContact O-CB 3.31Å; E31-L35 PolarHBondContact O-N 2.95Å
32	V	67.1	Low	62.8	Low	68 Å²	68	100.3 Å²	100.3	41%	0.412	60%	0.602	S	S	.	*	H	α-helix	trans	-65.1	-45.1	176.2	-177.9	0	0	0	0	111.2	V27 T28 V29 S34 L35 L36	V27-V32 HydrophobicContact CG1-CG2 3.74Å; T28-V32 PolarHBondContact O-N 3.31Å; V29-V32 PolarHBondContact O-N 3.07Å; V32-S34 VanDerWaalsContact C-N 3.35Å; V32-S34 PolarHBondContact O-N 3.18Å; V32-L35 PolarHBondContact O-N 3.47Å; V32-L36 HydrophobicContact CG1-CD1 3.96Å; V32-L36 HydrophobicContact CG1-CG 4.4Å; V32-L36 WeakPolarHBondContact O-CB 3.48Å; V32-L36 VanDerWaalsContact O-CG 3.32Å; V32-L36 WeakPolarHBondContact O-CG 3.21Å; V32-L36 PolarHBondContact O-N 3.3Å
33	V	64.8	Low	64.7	Low	82 Å²	82	95.9 Å²	95.9	50%	0.497	58%	0.581	S	S	.	*	H	α-helix	trans	-63.3	-41.1	177.4	171	0	0	0	0	111.2	V29 L36 G37	V29-V33 HydrophobicContact CG1-CG2 4.3Å; V29-V33 WeakPolarHBondContact O-CB 3.23Å; V29-V33 VanDerWaalsContact O-CG2 3.24Å; V29-V33 WeakPolarHBondContact O-CG2 3.37Å; V29-V33 PolarHBondContact O-N 2.94Å; V33-L36 PolarHBondContact O-N 3.33Å; V33-G37 PolarHBondContact O-N 3.46Å
34	S	70.7	Confident	66.5	Low	52 Å²	52	93.7 Å²	93.7	36%	0.364	56%	0.563	S	S	.	*	H	α-helix	trans	-63.4	-42.7	175	-177.1	0	0	0	0	112	W30 E31 V32 G37 K38	W30-S34 VanDerWaalsContact O-CB 3.24Å; W30-S34 WeakPolarHBondContact O-CB 3.16Å; W30-S34 PolarHBondContact O-N 3.23Å; E31-S34 PolarHBondContact O-N 2.92Å; V32-S34 VanDerWaalsContact C-N 3.35Å; V32-S34 PolarHBondContact O-N 3.18Å; S34-G37 PolarHBondContact O-N 2.89Å; S34-K38 VanDerWaalsContact O-CG 3.29Å; S34-K38 WeakPolarHBondContact O-CG 3.47Å; S34-K38 PolarHBondContact O-N 2.6Å
35	L	69.6	Low	68.1	Low	126 Å²	126	91 Å²	91	66%	0.66	55%	0.547	S	S	*	.	H	α-helix	trans	-65	-45.1	177.8	-155.3	87.9	0	0	0	111.5	E31 V32 K38 L39	E31-L35 WeakPolarHBondContact O-CB 3.31Å; E31-L35 PolarHBondContact O-N 2.95Å; V32-L35 PolarHBondContact O-N 3.47Å; L35-K38 PolarHBondContact O-N 2.77Å; L35-L39 WeakPolarHBondContact O-CB 3.29Å; L35-L39 PolarHBondContact O-N 3.35Å
36	L	58.5	Low	69.6	Low	93 Å²	93	92.4 Å²	92.4	49%	0.487	54%	0.536	S	S	.	.	H	α-helix	trans	-64.6	-41.1	176.9	-72.3	171.9	0	0	0	111.8	V32 V33 L39 L40	V32-L36 HydrophobicContact CG1-CD1 3.96Å; V32-L36 HydrophobicContact CG1-CG 4.4Å; V32-L36 WeakPolarHBondContact O-CB 3.48Å; V32-L36 VanDerWaalsContact O-CG 3.32Å; V32-L36 WeakPolarHBondContact O-CG 3.21Å; V32-L36 PolarHBondContact O-N 3.3Å; V33-L36 PolarHBondContact O-N 3.33Å; L36-L39 PolarHBondContact O-N 3.02Å; L36-L40 WeakPolarHBondContact O-CB 3.21Å; L36-L40 WeakPolarHBondContact O-CD1 3.2Å; L36-L40 PolarHBondContact O-N 2.89Å
37	G	63.6	Low	70.9	Confident	42 Å²	42	95.5 Å²	95.5	43%	0.433	53%	0.534	S	S	.	.	H	α-helix	trans	-62.2	-41.8	175	0	0	0	0	0	112.7	V33 S34 G41	V33-G37 PolarHBondContact O-N 3.46Å; S34-G37 PolarHBondContact O-N 2.89Å; G37-G41 PolarHBondContact O-N 3.01Å
38	K	69.3	Low	72	Confident	143 Å²	143	94.6 Å²	94.6	62%	0.622	53%	0.529	S	S	*	.	H	α-helix	trans	-64	-42.4	173.1	-72.1	171.2	-175	177.6	0	111.8	S34 L35 G41 T42	S34-K38 VanDerWaalsContact O-CG 3.29Å; S34-K38 WeakPolarHBondContact O-CG 3.47Å; S34-K38 PolarHBondContact O-N 2.6Å; L35-K38 PolarHBondContact O-N 2.77Å; K38-G41 PolarHBondContact O-N 2.89Å; K38-T42 WeakPolarHBondContact O-CG2 3.42Å; K38-T42 PolarHBondContact O-N 2.93Å; K38-T42 PolarHBondContact O-OG1 3.23Å
39	L	68.1	Low	72.2	Confident	109 Å²	109	94.8 Å²	94.8	57%	0.571	53%	0.53	S	S	*	.	H	α-helix	trans	-66.4	-41.2	178.7	-160.7	85.9	0	0	0	112.4	L35 L36 T42 V43	L35-L39 WeakPolarHBondContact O-CB 3.29Å; L35-L39 PolarHBondContact O-N 3.35Å; L36-L39 PolarHBondContact O-N 3.02Å; L39-T42 WeakPolarHBondContact CA-OG1 3.08Å; L39-T42 PolarHBondContact O-N 2.96Å; L39-T42 PolarHBondContact O-OG1 3.27Å; L39-V43 VanDerWaalsContact O-CG2 3.28Å; L39-V43 WeakPolarHBondContact O-CG2 3.42Å; L39-V43 PolarHBondContact O-N 3.26Å
40	L	66.3	Low	72.7	Confident	125 Å²	125	93.5 Å²	93.5	65%	0.654	52%	0.518	S	S	*	.	H	α-helix	trans	-64.4	-42.1	173.9	-85.9	151.4	0	0	0	111.3	L36 V43 A44	L36-L40 WeakPolarHBondContact O-CB 3.21Å; L36-L40 WeakPolarHBondContact O-CD1 3.2Å; L36-L40 PolarHBondContact O-N 2.89Å; L40-V43 PolarHBondContact O-N 2.88Å; L40-A44 WeakPolarHBondContact O-CB 3.42Å; L40-A44 PolarHBondContact O-N 2.81Å
41	G	72.3	Confident	73.2	Confident	41 Å²	41	91 Å²	91	42%	0.423	51%	0.51	S	S	.	.	H	α-helix	trans	-61.5	-42.4	175.4	0	0	0	0	0	113.2	G37 K38 A44 A45	G37-G41 PolarHBondContact O-N 3.01Å; K38-G41 PolarHBondContact O-N 2.89Å; G41-A44 PolarHBondContact O-N 2.71Å; G41-A45 WeakPolarHBondContact O-CB 3.48Å; G41-A45 PolarHBondContact O-N 2.91Å
42	T	75.7	Confident	73.1	Confident	85 Å²	85	90.3 Å²	90.3	52%	0.521	51%	0.509	S	S	.	.	H	α-helix	trans	-69.6	-39.2	177.7	53.1	0	0	0	0	112.5	K38 L39 A45 L46	K38-T42 WeakPolarHBondContact O-CG2 3.42Å; K38-T42 PolarHBondContact O-N 2.93Å; K38-T42 PolarHBondContact O-OG1 3.23Å; L39-T42 WeakPolarHBondContact CA-OG1 3.08Å; L39-T42 PolarHBondContact O-N 2.96Å; L39-T42 PolarHBondContact O-OG1 3.27Å; T42-A45 PolarHBondContact O-N 3.4Å; T42-L46 WeakPolarHBondContact O-CB 3.42Å; T42-L46 PolarHBondContact O-N 2.78Å
43	V	78.4	Confident	73.2	Confident	71 Å²	71	91.5 Å²	91.5	43%	0.43	51%	0.513	S	S	.	.	H	α-helix	trans	-65.7	-40.4	175.2	172.5	0	0	0	0	111.4	L39 L40 L46 K47	L39-V43 VanDerWaalsContact O-CG2 3.28Å; L39-V43 WeakPolarHBondContact O-CG2 3.42Å; L39-V43 PolarHBondContact O-N 3.26Å; L40-V43 PolarHBondContact O-N 2.88Å; V43-L46 PolarHBondContact O-N 3.11Å; V43-K47 WeakPolarHBondContact O-CG 3.42Å; V43-K47 PolarHBondContact O-N 3.04Å
44	A	79.2	Confident	73	Confident	54 Å²	54	97 Å²	97	45%	0.446	52%	0.524	S	S	.	.	H	α-helix	trans	-64.3	-45.5	174.9	0	0	0	0	0	111.6	L40 G41 L46 K47 V48	L40-A44 WeakPolarHBondContact O-CB 3.42Å; L40-A44 PolarHBondContact O-N 2.81Å; G41-A44 PolarHBondContact O-N 2.71Å; A44-L46 PolarHBondContact O-N 3.39Å; A44-K47 PolarHBondContact O-N 2.85Å; A44-V48 WeakPolarHBondContact O-CG2 3.47Å; A44-V48 PolarHBondContact O-N 2.85Å
45	A	77.3	Confident	72.4	Confident	53 Å²	53	97 Å²	97	44%	0.438	52%	0.522	S	S	.	.	H	α-helix	trans	-60.8	-43	175.8	0	0	0	0	0	112	G41 T42 K47 V48 V49	G41-A45 WeakPolarHBondContact O-CB 3.48Å; G41-A45 PolarHBondContact O-N 2.91Å; T42-A45 PolarHBondContact O-N 3.4Å; A45-K47 PolarHBondContact O-N 2.84Å; A45-V48 PolarHBondContact O-N 2.84Å; A45-V49 WeakPolarHBondContact O-CG2 3.49Å; A45-V49 PolarHBondContact O-N 3.45Å
46	L	83.1	Confident	71.7	Confident	106 Å²	106	95 Å²	95	56%	0.555	52%	0.518	S	S	*	.	H	α-helix	trans	-63.3	-40.6	176.7	-175.4	65.5	0	0	0	111.8	T42 V43 A44 V49 L50	T42-L46 WeakPolarHBondContact O-CB 3.42Å; T42-L46 PolarHBondContact O-N 2.78Å; V43-L46 PolarHBondContact O-N 3.11Å; A44-L46 PolarHBondContact O-N 3.39Å; L46-V49 PolarHBondContact O-N 3.31Å; L46-L50 HydrophobicContact CD1-CD1 4.43Å; L46-L50 HydrophobicContact CD1-CG 4.46Å; L46-L50 HydrophobicContact CG-CD1 4.02Å; L46-L50 HydrophobicContact CG-CG 4.47Å; L46-L50 WeakPolarHBondContact O-CB 3.38Å; L46-L50 VanDerWaalsContact O-CG 3.26Å; L46-L50 WeakPolarHBondContact O-CG 3.28Å; L46-L50 PolarHBondContact O-N 3.19Å
47	K	79.6	Confident	71.6	Confident	147 Å²	147	96.8 Å²	96.8	64%	0.639	53%	0.527	S	S	*	.	H	α-helix	trans	-63.3	-40.4	174.5	-77.5	-177.2	178.3	-177.3	0	112.1	V43 A44 A45 Y51	V43-K47 WeakPolarHBondContact O-CG 3.42Å; V43-K47 PolarHBondContact O-N 3.04Å; A44-K47 PolarHBondContact O-N 2.85Å; A45-K47 PolarHBondContact O-N 2.84Å; K47-Y51 WeakPolarHBondContact O-CB 3.24Å; K47-Y51 PolarHBondContact O-N 3.42Å
48	V	80.8	Confident	71	Confident	83 Å²	83	98.8 Å²	98.8	50%	0.503	54%	0.54	S	S	.	.	H	α-helix	trans	-65.5	-44.1	175.1	172.7	0	0	0	0	110.8	A44 A45 Y51 L52	A44-V48 WeakPolarHBondContact O-CG2 3.47Å; A44-V48 PolarHBondContact O-N 2.85Å; A45-V48 PolarHBondContact O-N 2.84Å; V48-Y51 PolarHBondContact O-N 2.76Å; V48-L52 HydrophobicContact CG1-CD1 3.84Å; V48-L52 HydrophobicContact CG1-CG 4.24Å; V48-L52 WeakPolarHBondContact O-CB 3.32Å; V48-L52 VanDerWaalsContact O-CG 3.25Å; V48-L52 WeakPolarHBondContact O-CG 3.12Å; V48-L52 PolarHBondContact O-N 3.32Å
49	V	83	Confident	69.8	Low	76 Å²	76	98.7 Å²	98.7	46%	0.461	54%	0.544	S	S	.	.	H	α-helix	trans	-62.9	-44.2	176.4	170.2	0	0	0	0	111.4	A45 L46 Y51 L52 L53	A45-V49 WeakPolarHBondContact O-CG2 3.49Å; A45-V49 PolarHBondContact O-N 3.45Å; L46-V49 PolarHBondContact O-N 3.31Å; V49-Y51 VanDerWaalsContact C-N 3.35Å; V49-L52 PolarHBondContact O-N 3.21Å; V49-L53 HydrophobicContact CG1-CD1 3.83Å; V49-L53 HydrophobicContact CG1-CG 4.47Å; V49-L53 VanDerWaalsContact O-CB 3.31Å; V49-L53 WeakPolarHBondContact O-CB 3.29Å; V49-L53 VanDerWaalsContact O-CG 3.32Å; V49-L53 WeakPolarHBondContact O-CG 3.36Å; V49-L53 PolarHBondContact O-N 2.68Å
50	L	79.4	Confident	69.1	Low	91 Å²	91	96.7 Å²	96.7	48%	0.476	54%	0.543	S	S	.	.	H	α-helix	trans	-66.2	-36.9	176.2	-72.9	169.8	0	0	0	112.2	L46 R54	L46-L50 HydrophobicContact CD1-CD1 4.43Å; L46-L50 HydrophobicContact CD1-CG 4.46Å; L46-L50 HydrophobicContact CG-CD1 4.02Å; L46-L50 HydrophobicContact CG-CG 4.47Å; L46-L50 WeakPolarHBondContact O-CB 3.38Å; L46-L50 VanDerWaalsContact O-CG 3.26Å; L46-L50 WeakPolarHBondContact O-CG 3.28Å; L46-L50 PolarHBondContact O-N 3.19Å; L50-R54 WeakPolarHBondContact O-CB 2.92Å; L50-R54 WeakPolarHBondContact O-CG 3.19Å; L50-R54 PolarHBondContact O-N 2.61Å
51	Y	79.2	Confident	68.9	Low	157 Å²	157	99.1 Å²	99.1	62%	0.616	54%	0.543	S	S	*	.	H	α-helix	trans	-65.9	-47.3	173.5	177.9	-99.8	0	0	0	111	K47 V48 V49 L53 R54 V55	K47-Y51 WeakPolarHBondContact O-CB 3.24Å; K47-Y51 PolarHBondContact O-N 3.42Å; V48-Y51 PolarHBondContact O-N 2.76Å; V49-Y51 VanDerWaalsContact C-N 3.35Å; Y51-L53 PolarHBondContact O-N 2.64Å; Y51-R54 CarbonylContact O-C 3.59Å; Y51-R54 PolarHBondContact O-N 2.73Å; Y51-V55 HydrophobicContact CD1-CG2 4.11Å; Y51-V55 HydrophobicContact CD2-CG2 4.43Å; Y51-V55 HydrophobicContact CE1-CG2 3.71Å; Y51-V55 HydrophobicContact CE2-CG2 4.06Å; Y51-V55 HydrophobicContact CG-CG2 4.45Å; Y51-V55 WeakPolarHBondContact O-CB 3.38Å; Y51-V55 VanDerWaalsContact O-CG2 3.28Å; Y51-V55 WeakPolarHBondContact O-CG2 3.15Å; Y51-V55 PolarHBondContact O-N 2.93Å
52	L	70	Confident	69.2	Low	93 Å²	93	103.1 Å²	103.1	49%	0.487	55%	0.549	S	S	.	.	H	α-helix	trans	-62.5	-40.7	175.7	-71.9	173.5	0	0	0	111.5	V48 V49 V55 C56	V48-L52 HydrophobicContact CG1-CD1 3.84Å; V48-L52 HydrophobicContact CG1-CG 4.24Å; V48-L52 WeakPolarHBondContact O-CB 3.32Å; V48-L52 VanDerWaalsContact O-CG 3.25Å; V48-L52 WeakPolarHBondContact O-CG 3.12Å; V48-L52 PolarHBondContact O-N 3.32Å; V49-L52 PolarHBondContact O-N 3.21Å; L52-V55 PolarHBondContact O-N 3.05Å; L52-C56 VanDerWaalsContact O-CB 3.27Å; L52-C56 WeakPolarHBondContact O-CB 3.39Å; L52-C56 PolarHBondContact O-N 2.88Å; L52-C56 PolarHBondContact O-SG 3.2Å
53	L	67.7	Low	69.6	Low	93 Å²	93	100.7 Å²	100.7	49%	0.487	54%	0.535	S	S	.	.	H	α-helix	trans	-61.6	-44.1	172.8	-81.1	163.2	0	0	0	111.4	V49 Y51 C56 L57	V49-L53 HydrophobicContact CG1-CD1 3.83Å; V49-L53 HydrophobicContact CG1-CG 4.47Å; V49-L53 VanDerWaalsContact O-CB 3.31Å; V49-L53 WeakPolarHBondContact O-CB 3.29Å; V49-L53 VanDerWaalsContact O-CG 3.32Å; V49-L53 WeakPolarHBondContact O-CG 3.36Å; V49-L53 PolarHBondContact O-N 2.68Å; Y51-L53 PolarHBondContact O-N 2.64Å; L53-C56 PolarHBondContact O-N 3.48Å; L53-L57 VanDerWaalsContact O-CB 3.23Å; L53-L57 WeakPolarHBondContact O-CB 3.46Å; L53-L57 WeakPolarHBondContact O-CD1 3.21Å; L53-L57 WeakPolarHBondContact O-CG 3.17Å; L53-L57 PolarHBondContact O-N 3.42Å
54	R	62.3	Low	70.3	Confident	196 Å²	196	98 Å²	98	74%	0.74	52%	0.523	S	S	*	.	H	α-helix	trans	-63.9	-41.1	174.9	-80.9	-176.4	177.8	-172.4	0.1	112.4	L50 Y51 L57 A58	L50-R54 WeakPolarHBondContact O-CB 2.92Å; L50-R54 WeakPolarHBondContact O-CG 3.19Å; L50-R54 PolarHBondContact O-N 2.61Å; Y51-R54 CarbonylContact O-C 3.59Å; Y51-R54 PolarHBondContact O-N 2.73Å; R54-L57 PolarHBondContact O-N 3.34Å; R54-A58 WeakPolarHBondContact O-CB 3.3Å; R54-A58 PolarHBondContact O-N 3.17Å
55	V	57.9	Low	71	Confident	53 Å²	53	96.4 Å²	96.4	32%	0.321	51%	0.511	S	S	.	.	H	α-helix	trans	-66.3	-46.5	176.4	171.8	0	0	0	0	110	Y51 L52 L57 A58 M59	Y51-V55 HydrophobicContact CD1-CG2 4.11Å; Y51-V55 HydrophobicContact CD2-CG2 4.43Å; Y51-V55 HydrophobicContact CE1-CG2 3.71Å; Y51-V55 HydrophobicContact CE2-CG2 4.06Å; Y51-V55 HydrophobicContact CG-CG2 4.45Å; Y51-V55 WeakPolarHBondContact O-CB 3.38Å; Y51-V55 VanDerWaalsContact O-CG2 3.28Å; Y51-V55 WeakPolarHBondContact O-CG2 3.15Å; Y51-V55 PolarHBondContact O-N 2.93Å; L52-V55 PolarHBondContact O-N 3.05Å; V55-L57 VanDerWaalsContact C-N 3.35Å; V55-L57 PolarHBondContact O-N 3.34Å; V55-A58 CarbonylContact O-C 3.54Å; V55-A58 PolarHBondContact O-N 3.44Å; V55-M59 HydrophobicContact CG1-CG 4.12Å; V55-M59 VanDerWaalsContact O-CB 3.27Å; V55-M59 WeakPolarHBondContact O-CB 3.33Å; V55-M59 WeakPolarHBondContact O-CG 3.39Å; V55-M59 PolarHBondContact O-N 2.96Å
56	C	54.7	Low	72	Confident	84 Å²	84	98 Å²	98	57%	0.568	52%	0.524	S	S	*	.	H	α-helix	trans	-62	-39.3	175.8	-70.9	0	0	0	0	112.6	L52 L53 M59 A60	L52-C56 VanDerWaalsContact O-CB 3.27Å; L52-C56 WeakPolarHBondContact O-CB 3.39Å; L52-C56 PolarHBondContact O-N 2.88Å; L52-C56 PolarHBondContact O-SG 3.2Å; L53-C56 PolarHBondContact O-N 3.48Å; C56-M59 PolarHBondContact O-N 3Å; C56-A60 PolarHBondContact O-N 3.43Å
57	L	56.5	Low	72.7	Confident	130 Å²	130	95.4 Å²	95.4	68%	0.681	52%	0.515	S	S	*	.	H	α-helix	trans	-71	-32.9	175	-75.8	162	0	0	0	112.5	L53 R54 V55	L53-L57 VanDerWaalsContact O-CB 3.23Å; L53-L57 WeakPolarHBondContact O-CB 3.46Å; L53-L57 WeakPolarHBondContact O-CD1 3.21Å; L53-L57 WeakPolarHBondContact O-CG 3.17Å; L53-L57 PolarHBondContact O-N 3.42Å; R54-L57 PolarHBondContact O-N 3.34Å; V55-L57 VanDerWaalsContact C-N 3.35Å; V55-L57 PolarHBondContact O-N 3.34Å
58	A	50.5	Low	73.6	Confident	85 Å²	85	88.9 Å²	88.9	70%	0.702	49%	0.487	S	S	*	.	H	α-helix	trans	-75.4	-26.2	173.5	0	0	0	0	0	112.7	R54 V55	R54-A58 WeakPolarHBondContact O-CB 3.3Å; R54-A58 PolarHBondContact O-N 3.17Å; V55-A58 CarbonylContact O-C 3.54Å; V55-A58 PolarHBondContact O-N 3.44Å
59	M	42.8	Very low	74.4	Confident	141 Å²	141	87.6 Å²	87.6	70%	0.695	48%	0.481	S	S	*	.	H	α-helix	trans	-81.1	-16.5	177.3	-72.4	-75.9	-68.1	0	0	112.9	V55 C56 W61	V55-M59 HydrophobicContact CG1-CG 4.12Å; V55-M59 VanDerWaalsContact O-CB 3.27Å; V55-M59 WeakPolarHBondContact O-CB 3.33Å; V55-M59 WeakPolarHBondContact O-CG 3.39Å; V55-M59 PolarHBondContact O-N 2.96Å; C56-M59 PolarHBondContact O-N 3Å; M59-W61 PolarHBondContact O-N 3.05Å
60	A	55	Low	75.2	Confident	67 Å²	67	86.7 Å²	86.7	55%	0.554	47%	0.472	S	S	*	.	S	Bend	trans	-73.8	107.2	167.7	0	0	0	0	0	108.6	C56 K62	C56-A60 PolarHBondContact O-N 3.43Å; A60-K62 PolarHBondContact O-N 3.06Å
61	W	62.5	Low	76.1	Confident	176 Å²	176	82.4 Å²	82.4	67%	0.667	45%	0.449	S	S	*	.			trans	-59.1	122.6	177.1	-75.9	32.3	0	0	0	109.4	M59 S63 N78	M59-W61 PolarHBondContact O-N 3.05Å; W61-S63 PolarHBondContact O-N 3.47Å; W61-N78 HydrophobicContact CE3-CB 3.38Å; W61-N78 VanDerWaalsContact CE3-OD1 3.29Å; W61-N78 HydrophobicContact CZ3-CB 3.4Å; W61-N78 VanDerWaalsContact CZ3-O 3.31Å; W61-N78 WeakPolarHBondContact CZ3-O 3.3Å
62	K	77.5	Confident	77	Confident	124 Å²	124	75 Å²	75	54%	0.539	42%	0.42	S	S	.	.			trans	-75.8	106.1	171.9	-169.6	-175.2	-178.7	-170.4	0	107.6	A60 E70 N74 N78	A60-K62 PolarHBondContact O-N 3.06Å; K62-E70 IonicContact NZ-OE1 3.24Å; K62-E70 PolarHBondContact NZ-OE1 3.04Å; K62-N74 WeakPolarHBondContact O-CB 3.39Å; K62-N78 PolarHBondContact O-ND2 2.77Å
63	S	84.9	Confident	78.4	Confident	34 Å²	34	74.9 Å²	74.9	24%	0.238	42%	0.417	C	S	.	.			trans	-97.3	-31.7	174.3	54.5	0	0	0	0	112.9	W61 L71 D106	W61-S63 PolarHBondContact O-N 3.47Å; S63-L71 VanDerWaalsContact O-CD1 3.25Å; S63-L71 WeakPolarHBondContact O-CD1 3.33Å; S63-D106 WeakPolarHBondContact CB-OD2 3.43Å; S63-D106 VanDerWaalsContact OG-CB 3.24Å; S63-D106 WeakPolarHBondContact OG-CB 3.42Å; S63-D106 PolarHBondContact OG-OD2 2.81Å
64	G	92.1	Very high	79.8	Confident	16 Å²	16	71.6 Å²	71.6	17%	0.165	40%	0.4	C	S	.	.			trans	-74.8	170.8	172.6	0	0	0	0	0	114.5	N74 Y104	G64-N74 PolarHBondContact O-ND2 3.46Å; G64-Y104 CarbonylContact C-O 3.43Å; G64-Y104 VanDerWaalsContact CA-O 3.31Å; G64-Y104 WeakPolarHBondContact CA-O 3.39Å
65	G	95.2	Very high	81.5	Confident	19 Å²	19	62.3 Å²	62.3	20%	0.196	37%	0.365	C	S	.	.			trans	-145	166.9	178.6	0	0	0	0	0	113.6	S67 Y104	G65-S67 VanDerWaalsContact C-N 3.35Å; G65-Y104 PolarHBondContact N-O 2.79Å; G65-Y104 WeakPolarHBondContact O-CB 3.4Å
66	A	96.6	Very high	83.4	Confident	86 Å²	86	64.8 Å²	64.8	71%	0.711	37%	0.369	S	S	*	.	S	Bend	trans	-82.9	-15.2	171.5	0	0	0	0	0	112.5	E70	A66-E70 WeakPolarHBondContact CB-OE2 3.48Å; A66-E70 PolarHBondContact N-OE2 3.34Å
67	S	98.4	Very high	85.5	Confident	52 Å²	52	69 Å²	69	36%	0.364	38%	0.377	S	S	.	.	S	Bend	trans	-136	163.3	173.8	64.8	0	0	0	0	110.3	G65 S69 E70 L71	G65-S67 VanDerWaalsContact C-N 3.35Å; S67-S69 VanDerWaalsContact C-N 3.3Å; S67-S69 PolarHBondContact O-N 2.87Å; S67-E70 PolarHBondContact O-N 2.86Å; S67-E70 WeakPolarHBondContact OG-CB 3.29Å; S67-E70 PolarHBondContact OG-N 2.91Å; S67-E70 VanDerWaalsContact OG-N 3.16Å; S67-L71 PolarHBondContact O-N 2.7Å
68	H	98.6	Very high	87.4	Confident	11 Å²	11	63.9 Å²	63.9	5%	0.051	35%	0.351	C	S	.	.	H	α-helix	trans	-56.5	-45.7	173.4	-172.1	64	0	0	0	111.6	E70 L71 I72 M90 L91 T93 D94 R95 Y104	H68-E70 PolarHBondContact O-N 3.01Å; H68-L71 WeakPolarHBondContact O-CB 3.3Å; H68-L71 PolarHBondContact O-N 3.28Å; H68-I72 WeakPolarHBondContact O-CG1 3.32Å; H68-I72 PolarHBondContact O-N 2.73Å; H68-M90 PolarHBondContact CE1-O 2.93Å; H68-M90 PolarHBondContact NE2-O 3.43Å; H68-L91 PolarHBondContact CD2-O 2.93Å; H68-L91 VanDerWaalsContact CD2-O 3.26Å; H68-L91 PolarHBondContact NE2-O 3.41Å; H68-T93 PolarHBondContact CE1-O 3.32Å; H68-T93 PolarHBondContact NE2-O 3.43Å; H68-T93 VanDerWaalsContact NE2-O 3.13Å; H68-D94 VanDerWaalsContact CB-OD2 3.32Å; H68-D94 WeakPolarHBondContact CB-OD2 3.49Å; H68-D94 IonicContact CG-OD2 2.9Å; H68-R95 PolarHBondContact ND1-N 2.85Å; H68-Y104 HydrophobicContact CB-CD1 3.96Å; H68-Y104 HydrophobicContact CB-CE1 3.54Å
69	S	98.6	Very high	89.6	Confident	55 Å²	55	62.1 Å²	62.1	39%	0.385	34%	0.34	S	S	.	.	H	α-helix	trans	-58.2	-46	177.1	-178.5	0	0	0	0	112.3	S67 L71 I72 H73	S67-S69 VanDerWaalsContact C-N 3.3Å; S67-S69 PolarHBondContact O-N 2.87Å; S69-L71 PolarHBondContact O-N 3.34Å; S69-I72 PolarHBondContact O-N 2.83Å; S69-H73 WeakPolarHBondContact O-CB 3.41Å; S69-H73 PolarHBondContact O-N 2.73Å; S69-H73 PolarHBondContact O-ND1 3.21Å; S69-H73 PolarHBondContact OG-CE1 3.42Å; S69-H73 PolarHBondContact OG-ND1 2.89Å
70	E	98.4	Very high	92.2	Very high	58 Å²	58	56.9 Å²	56.9	27%	0.271	32%	0.315	S	S	.	.	H	α-helix	trans	-62.8	-42.3	178	-170.6	-173.2	176	0	0	111.9	K62 A66 S67 H68 H73 N74	K62-E70 IonicContact NZ-OE1 3.24Å; K62-E70 PolarHBondContact NZ-OE1 3.04Å; A66-E70 WeakPolarHBondContact CB-OE2 3.48Å; A66-E70 PolarHBondContact N-OE2 3.34Å; S67-E70 PolarHBondContact O-N 2.86Å; S67-E70 WeakPolarHBondContact OG-CB 3.29Å; S67-E70 PolarHBondContact OG-N 2.91Å; S67-E70 VanDerWaalsContact OG-N 3.16Å; H68-E70 PolarHBondContact O-N 3.01Å; E70-H73 PolarHBondContact O-N 3.42Å; E70-N74 WeakPolarHBondContact O-CB 3.26Å; E70-N74 PolarHBondContact O-N 3.44Å; E70-N74 PolarHBondContact O-ND2 3.2Å
71	L	98.6	Very high	94.2	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-55.8	-53	174.6	164.1	64.7	0	0	0	110.8	S63 S67 H68 S69 H73 N74 L75 D106 P120	S63-L71 VanDerWaalsContact O-CD1 3.25Å; S63-L71 WeakPolarHBondContact O-CD1 3.33Å; S67-L71 PolarHBondContact O-N 2.7Å; H68-L71 WeakPolarHBondContact O-CB 3.3Å; H68-L71 PolarHBondContact O-N 3.28Å; S69-L71 PolarHBondContact O-N 3.34Å; L71-H73 PolarHBondContact O-N 2.99Å; L71-N74 PolarHBondContact O-N 3.23Å; L71-L75 HydrophobicContact CD1-CD1 4.27Å; L71-L75 HydrophobicContact CD1-CG 4.24Å; L71-L75 WeakPolarHBondContact O-CG 3.37Å; L71-L75 PolarHBondContact O-N 2.82Å; L71-D106 HydrophobicContact CD1-CB 4.24Å; L71-P120 HydrophobicContact CD1-CB 3.99Å; L71-P120 HydrophobicContact CD1-CG 3.93Å; L71-P120 HydrophobicContact CD2-CB 4.05Å; L71-P120 HydrophobicContact CD2-CG 3.68Å; L71-P120 HydrophobicContact CG-CB 4.41Å; L71-P120 HydrophobicContact CG-CG 4.39Å
72	I	98.7	Very high	95.9	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.01	29%	0.288	C	S	.	.	H	α-helix	trans	-66.2	-39.2	-176	-59.3	-50.1	0	0	0	111.6	H68 S69 N74 L75 R76 I81 F87 M90 L91	H68-I72 WeakPolarHBondContact O-CG1 3.32Å; H68-I72 PolarHBondContact O-N 2.73Å; S69-I72 PolarHBondContact O-N 2.83Å; I72-N74 VanDerWaalsContact C-N 3.35Å; I72-N74 PolarHBondContact O-N 3.01Å; I72-L75 HydrophobicContact CD1-CD1 4.25Å; I72-L75 PolarHBondContact O-N 2.94Å; I72-R76 PolarHBondContact O-N 3.39Å; I72-I81 HydrophobicContact CG2-CD1 3.86Å; I72-F87 HydrophobicContact CG2-CD2 3.62Å; I72-F87 HydrophobicContact CG2-CE2 3.7Å; I72-M90 HydrophobicContact CD1-CB 3.83Å; I72-M90 HydrophobicContact CD1-CE 3.99Å; I72-M90 HydrophobicContact CG1-CB 4.41Å; I72-M90 HydrophobicContact CG2-CB 4.32Å; I72-L91 HydrophobicContact CB-CD1 4.25Å; I72-L91 HydrophobicContact CG2-CB 4.23Å; I72-L91 HydrophobicContact CG2-CD1 4.47Å
73	H	98.5	Very high	96.9	Very high	91 Å²	91	48.5 Å²	48.5	42%	0.421	27%	0.274	S	S	.	.	H	α-helix	trans	-63.8	-38.9	174	-77.3	83.8	0	0	0	112.4	S69 E70 L71 R76 K77 F87	S69-H73 WeakPolarHBondContact O-CB 3.41Å; S69-H73 PolarHBondContact O-N 2.73Å; S69-H73 PolarHBondContact O-ND1 3.21Å; S69-H73 PolarHBondContact OG-CE1 3.42Å; S69-H73 PolarHBondContact OG-ND1 2.89Å; E70-H73 PolarHBondContact O-N 3.42Å; L71-H73 PolarHBondContact O-N 2.99Å; H73-R76 PolarHBondContact O-N 3.08Å; H73-K77 WeakPolarHBondContact O-CB 3.35Å; H73-K77 PolarHBondContact O-N 2.93Å; H73-F87 AromaticContact CE1-CZ 3.78Å; H73-F87 AromaticContact NE2-CZ 3.69Å
74	N	98.2	Very high	97.6	Very high	24 Å²	24	51.6 Å²	51.6	13%	0.128	29%	0.288	C	S	.	.	H	α-helix	trans	-64.6	-43.1	176	-75.7	-18.2	0	0	0	111.4	K62 G64 E70 L71 I72 R76 K77 N78	K62-N74 WeakPolarHBondContact O-CB 3.39Å; G64-N74 PolarHBondContact O-ND2 3.46Å; E70-N74 WeakPolarHBondContact O-CB 3.26Å; E70-N74 PolarHBondContact O-N 3.44Å; E70-N74 PolarHBondContact O-ND2 3.2Å; L71-N74 PolarHBondContact O-N 3.23Å; I72-N74 VanDerWaalsContact C-N 3.35Å; I72-N74 PolarHBondContact O-N 3.01Å; N74-R76 VanDerWaalsContact C-N 3.32Å; N74-R76 PolarHBondContact O-N 2.64Å; N74-K77 PolarHBondContact O-N 2.92Å; N74-N78 WeakPolarHBondContact O-CB 3.49Å; N74-N78 PolarHBondContact O-N 3.45Å; N74-N78 PolarHBondContact O-ND2 3.11Å; N74-N78 VanDerWaalsContact O-ND2 3.13Å
75	L	98.2	Very high	97.9	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-59.7	-41.6	174.7	-66.6	177.8	0	0	0	112.4	L71 I72 N78 G79 I80 I81 M90 P120 H121	L71-L75 HydrophobicContact CD1-CD1 4.27Å; L71-L75 HydrophobicContact CD1-CG 4.24Å; L71-L75 WeakPolarHBondContact O-CG 3.37Å; L71-L75 PolarHBondContact O-N 2.82Å; I72-L75 HydrophobicContact CD1-CD1 4.25Å; I72-L75 PolarHBondContact O-N 2.94Å; L75-N78 CarbonylContact O-C 3.58Å; L75-N78 PolarHBondContact O-N 2.85Å; L75-G79 PolarHBondContact O-N 3.44Å; L75-I80 HydrophobicContact CB-CB 4.34Å; L75-I80 HydrophobicContact CD2-CB 4.41Å; L75-I80 HydrophobicContact CD2-CG1 4.39Å; L75-I80 HydrophobicContact CD2-CG2 4.41Å; L75-I80 WeakPolarHBondContact O-CB 3.47Å; L75-I80 PolarHBondContact O-N 3.21Å; L75-I81 HydrophobicContact CB-CD1 3.75Å; L75-I81 HydrophobicContact CB-CG1 4Å; L75-I81 HydrophobicContact CD1-CD1 4.2Å; L75-I81 PolarHBondContact O-N 2.91Å; L75-M90 HydrophobicContact CD1-CE 4.01Å; L75-P120 HydrophobicContact CD1-CB 3.73Å; L75-H121 HydrophobicContact CD2-CB 4.2Å
76	R	97.9	Very high	98.1	Very high	105 Å²	105	53.4 Å²	53.4	40%	0.396	29%	0.286	S	S	.	.	H	α-helix	trans	-66.6	-46.9	175.9	-177.4	175.8	178.1	161.4	8.5	112.2	I72 H73 N74 N78 G79 I81 D84 F87	I72-R76 PolarHBondContact O-N 3.39Å; H73-R76 PolarHBondContact O-N 3.08Å; N74-R76 VanDerWaalsContact C-N 3.32Å; N74-R76 PolarHBondContact O-N 2.64Å; R76-N78 PolarHBondContact O-N 2.85Å; R76-G79 PolarHBondContact O-N 2.79Å; R76-I81 HydrophobicContact CB-CB 4.31Å; R76-D84 IonicContact CZ-OD1 3.81Å; R76-D84 VanDerWaalsContact CZ-OD1 3.32Å; R76-D84 IonicContact NH1-OD1 3.94Å; R76-D84 PolarHBondContact NH1-OD1 2.65Å; R76-D84 IonicContact NH2-OD1 2.67Å; R76-D84 PolarHBondContact NH2-OD1 3.48Å; R76-F87 HydrophobicContact CB-CD2 3.98Å; R76-F87 HydrophobicContact CB-CE2 4.25Å; R76-F87 VanDerWaalsContact CD-CD2 3.46Å; R76-F87 HydrophobicContact CG-CD2 4.28Å
77	K	97.3	Very high	98.2	Very high	172 Å²	172	49.8 Å²	49.8	75%	0.748	26%	0.255	S	S	*	.	H	α-helix	trans	-56.8	-34.4	176.2	-179.6	-179.5	175.4	-176.5	0	111.7	H73 N74 G79	H73-K77 WeakPolarHBondContact O-CB 3.35Å; H73-K77 PolarHBondContact O-N 2.93Å; N74-K77 PolarHBondContact O-N 2.92Å; K77-G79 VanDerWaalsContact C-N 3.27Å; K77-G79 PolarHBondContact O-N 2.99Å
78	N	96.1	Very high	98.2	Very high	24 Å²	24	52.3 Å²	52.3	13%	0.128	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	9.4	178.7	-65.8	-15.6	0	0	0	113.2	W61 K62 N74 L75 R76 I80	W61-N78 HydrophobicContact CE3-CB 3.38Å; W61-N78 VanDerWaalsContact CE3-OD1 3.29Å; W61-N78 HydrophobicContact CZ3-CB 3.4Å; W61-N78 VanDerWaalsContact CZ3-O 3.31Å; W61-N78 WeakPolarHBondContact CZ3-O 3.3Å; K62-N78 PolarHBondContact O-ND2 2.77Å; N74-N78 WeakPolarHBondContact O-CB 3.49Å; N74-N78 PolarHBondContact O-N 3.45Å; N74-N78 PolarHBondContact O-ND2 3.11Å; N74-N78 VanDerWaalsContact O-ND2 3.13Å; L75-N78 CarbonylContact O-C 3.58Å; L75-N78 PolarHBondContact O-N 2.85Å; R76-N78 PolarHBondContact O-N 2.85Å; N78-I80 HydrophobicContact CB-CG1 4.18Å; N78-I80 PolarHBondContact O-N 3.44Å
79	G	96.7	Very high	98.2	Very high	47 Å²	47	52.3 Å²	52.3	49%	0.485	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	12.9	176.6	0	0	0	0	0	115.1	L75 R76 K77	L75-G79 PolarHBondContact O-N 3.44Å; R76-G79 PolarHBondContact O-N 2.79Å; K77-G79 VanDerWaalsContact C-N 3.27Å; K77-G79 PolarHBondContact O-N 2.99Å
80	I	97.4	Very high	98.3	Very high	32 Å²	32	50.1 Å²	50.1	16%	0.164	25%	0.245	C	C	.	.	S	Bend	trans	-74.6	-48.2	176	-55	-61.3	0	0	0	109.2	L75 N78 H121 A124 Y125	L75-I80 HydrophobicContact CB-CB 4.34Å; L75-I80 HydrophobicContact CD2-CB 4.41Å; L75-I80 HydrophobicContact CD2-CG1 4.39Å; L75-I80 HydrophobicContact CD2-CG2 4.41Å; L75-I80 WeakPolarHBondContact O-CB 3.47Å; L75-I80 PolarHBondContact O-N 3.21Å; N78-I80 HydrophobicContact CB-CG1 4.18Å; N78-I80 PolarHBondContact O-N 3.44Å; I80-H121 HydrophobicContact CG2-CB 3.76Å; I80-A124 HydrophobicContact CG2-CB 3.82Å; I80-Y125 WeakPolarHBondContact CD1-OH 3.31Å; I80-Y125 HydrophobicContact CG2-CE1 4.14Å
81	I	98.6	Very high	98.3	Very high	5 Å²	5	49.8 Å²	49.8	3%	0.026	25%	0.245	C	C	.	.			trans	-88.7	126	167.8	-59.6	170.1	0	0	0	107.7	I72 L75 R76 V86 F87 M90 A124	I72-I81 HydrophobicContact CG2-CD1 3.86Å; L75-I81 HydrophobicContact CB-CD1 3.75Å; L75-I81 HydrophobicContact CB-CG1 4Å; L75-I81 HydrophobicContact CD1-CD1 4.2Å; L75-I81 PolarHBondContact O-N 2.91Å; R76-I81 HydrophobicContact CB-CB 4.31Å; I81-V86 HydrophobicContact CG2-CB 4.25Å; I81-V86 HydrophobicContact CG2-CG1 4.03Å; I81-F87 HydrophobicContact CG2-CB 3.77Å; I81-M90 HydrophobicContact CD1-CE 4.37Å; I81-M90 HydrophobicContact CD1-SD 3.63Å; I81-M90 HydrophobicContact CG1-SD 3.93Å; I81-A124 HydrophobicContact CG1-CB 3.82Å
82	K	98.3	Very high	98.3	Very high	145 Å²	145	52.4 Å²	52.4	63%	0.63	27%	0.266	S	S	*	.			trans	-113.1	-32	-172.1	-66	175.9	-68.1	-137.3	0	112.2	E128	K82-E128 WeakPolarHBondContact CA-OE1 3.36Å; K82-E128 PolarHBondContact N-OE1 3.31Å
83	T	98.7	Very high	98.3	Very high	40 Å²	40	52.4 Å²	52.4	25%	0.245	27%	0.267	C	S	.	.	S	Bend	trans	-109.1	145.2	-175.8	58.1	0	0	0	0	112.2	K85 V86 F87 E128 F131	T83-K85 VanDerWaalsContact C-N 3.33Å; T83-K85 PolarHBondContact O-N 3.15Å; T83-V86 PolarHBondContact O-N 3.29Å; T83-V86 WeakPolarHBondContact OG1-CB 3.38Å; T83-V86 WeakPolarHBondContact OG1-CG2 3.23Å; T83-F87 PolarHBondContact O-N 3.33Å; T83-E128 WeakPolarHBondContact CG2-OE2 3.31Å; T83-E128 PolarHBondContact N-OE1 3.14Å; T83-E128 PolarHBondContact OG1-OE1 3.07Å; T83-E128 PolarHBondContact OG1-OE2 3.38Å; T83-F131 HydrophobicContact CG2-CD2 4.14Å; T83-F131 HydrophobicContact CG2-CE2 3.88Å; T83-F131 HydrophobicContact CG2-CZ 4.35Å; T83-F131 WeakPolarHBondContact OG1-CD2 3.22Å; T83-F131 WeakPolarHBondContact OG1-CE2 3.38Å
84	D	98.8	Very high	98.3	Very high	99 Å²	99	50.1 Å²	50.1	53%	0.529	26%	0.257	S	S	.	.	H	α-helix	trans	-62.9	-39.3	179.4	-69.4	-44.5	0	0	0	111.7	R76 V86 F87 E88	R76-D84 IonicContact CZ-OD1 3.81Å; R76-D84 VanDerWaalsContact CZ-OD1 3.32Å; R76-D84 IonicContact NH1-OD1 3.94Å; R76-D84 PolarHBondContact NH1-OD1 2.65Å; R76-D84 IonicContact NH2-OD1 2.67Å; R76-D84 PolarHBondContact NH2-OD1 3.48Å; D84-V86 PolarHBondContact O-N 2.92Å; D84-F87 WeakPolarHBondContact O-CB 3.48Å; D84-F87 PolarHBondContact O-N 3.49Å; D84-E88 WeakPolarHBondContact O-CG 3.39Å; D84-E88 PolarHBondContact O-N 3.41Å
85	K	98.8	Very high	98.4	Very high	74 Å²	74	49.1 Å²	49.1	32%	0.322	25%	0.252	S	S	.	.	H	α-helix	trans	-61.6	-42.6	178.3	-177.1	-176.1	-179.5	-175	0	111.9	T83 E88 V89 F131 L134 M157	T83-K85 VanDerWaalsContact C-N 3.33Å; T83-K85 PolarHBondContact O-N 3.15Å; K85-E88 PolarHBondContact O-N 2.89Å; K85-V89 WeakPolarHBondContact O-CB 3.47Å; K85-V89 WeakPolarHBondContact O-CG2 3.25Å; K85-V89 PolarHBondContact O-N 3.22Å; K85-F131 HydrophobicContact CB-CE2 3.81Å; K85-F131 HydrophobicContact CB-CZ 4.05Å; K85-F131 HydrophobicContact CD-CE2 4.2Å; K85-F131 HydrophobicContact CD-CZ 4.13Å; K85-F131 HydrophobicContact CG-CE2 4.42Å; K85-L134 PolarHBondContact NZ-O 3.36Å; K85-M157 HydrophobicContact CD-CE 4.2Å; K85-M157 HydrophobicContact CD-SD 4.14Å; K85-M157 WeakPolarHBondContact CE-O 3.49Å; K85-M157 HydrophobicContact CG-CE 4.45Å; K85-M157 HydrophobicContact CG-SD 3.92Å; K85-M157 PolarHBondContact NZ-O 3.43Å
86	V	98.9	Very high	98.4	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-66.4	-40.8	175.9	173	0	0	0	0	110.9	I81 T83 D84 V89 M90 L127 E128 F131 M157	I81-V86 HydrophobicContact CG2-CB 4.25Å; I81-V86 HydrophobicContact CG2-CG1 4.03Å; T83-V86 PolarHBondContact O-N 3.29Å; T83-V86 WeakPolarHBondContact OG1-CB 3.38Å; T83-V86 WeakPolarHBondContact OG1-CG2 3.23Å; D84-V86 PolarHBondContact O-N 2.92Å; V86-V89 PolarHBondContact O-N 3.32Å; V86-M90 HydrophobicContact CG1-CG 4.25Å; V86-M90 HydrophobicContact CG1-SD 3.94Å; V86-M90 WeakPolarHBondContact O-CB 3.47Å; V86-M90 WeakPolarHBondContact O-CG 3.38Å; V86-M90 PolarHBondContact O-N 2.94Å; V86-L127 HydrophobicContact CG1-CB 3.82Å; V86-L127 HydrophobicContact CG1-CD1 4.1Å; V86-L127 HydrophobicContact CG2-CB 3.94Å; V86-E128 HydrophobicContact CG1-CG 4.28Å; V86-E128 HydrophobicContact CG2-CG 4.32Å; V86-F131 HydrophobicContact CG2-CD2 3.77Å; V86-F131 HydrophobicContact CG2-CE2 4.14Å; V86-M157 HydrophobicContact CG2-CE 4.03Å; V86-M157 HydrophobicContact CG2-SD 4.31Å
87	F	98.9	Very high	98.4	Very high	10 Å²	10	49.4 Å²	49.4	4%	0.044	26%	0.263	C	S	.	.	H	α-helix	trans	-56.6	-52.1	174.7	173.9	-98.8	0	0	0	111.9	I72 H73 R76 I81 T83 D84 V89 M90 L91	I72-F87 HydrophobicContact CG2-CD2 3.62Å; I72-F87 HydrophobicContact CG2-CE2 3.7Å; H73-F87 AromaticContact CE1-CZ 3.78Å; H73-F87 AromaticContact NE2-CZ 3.69Å; R76-F87 HydrophobicContact CB-CD2 3.98Å; R76-F87 HydrophobicContact CB-CE2 4.25Å; R76-F87 VanDerWaalsContact CD-CD2 3.46Å; R76-F87 HydrophobicContact CG-CD2 4.28Å; I81-F87 HydrophobicContact CG2-CB 3.77Å; T83-F87 PolarHBondContact O-N 3.33Å; D84-F87 WeakPolarHBondContact O-CB 3.48Å; D84-F87 PolarHBondContact O-N 3.49Å; F87-V89 PolarHBondContact O-N 3.21Å; F87-M90 PolarHBondContact O-N 3.38Å; F87-L91 HydrophobicContact CE1-CD2 4.01Å; F87-L91 HydrophobicContact CZ-CD2 4.14Å; F87-L91 VanDerWaalsContact O-CB 3.23Å; F87-L91 WeakPolarHBondContact O-CB 3.17Å; F87-L91 PolarHBondContact O-N 2.73Å
88	E	98.9	Very high	98.5	Very high	105 Å²	105	41.5 Å²	41.5	49%	0.491	23%	0.229	S	C	.	.	H	α-helix	trans	-63.4	-42.2	179.9	-66.9	-54.5	139.1	0	0	112.1	D84 K85 L91 A92	D84-E88 WeakPolarHBondContact O-CG 3.39Å; D84-E88 PolarHBondContact O-N 3.41Å; K85-E88 PolarHBondContact O-N 2.89Å; E88-L91 PolarHBondContact O-N 2.86Å; E88-A92 VanDerWaalsContact O-CB 3.26Å; E88-A92 WeakPolarHBondContact O-CB 3.46Å; E88-A92 PolarHBondContact O-N 3.49Å
89	V	98.9	Very high	98.6	Very high	11 Å²	11	40.5 Å²	40.5	7%	0.067	22%	0.224	C	C	.	.	H	α-helix	trans	-62.1	-47	177.6	162.1	0	0	0	0	111.7	K85 V86 F87 L91 A92 T93 C153 R156 M157	K85-V89 WeakPolarHBondContact O-CB 3.47Å; K85-V89 WeakPolarHBondContact O-CG2 3.25Å; K85-V89 PolarHBondContact O-N 3.22Å; V86-V89 PolarHBondContact O-N 3.32Å; F87-V89 PolarHBondContact O-N 3.21Å; V89-L91 VanDerWaalsContact C-N 3.35Å; V89-A92 PolarHBondContact O-N 2.99Å; V89-T93 PolarHBondContact O-N 3.45Å; V89-T93 PolarHBondContact O-OG1 3.4Å; V89-C153 HydrophobicContact CG1-CB 3.76Å; V89-C153 VanDerWaalsContact CG1-O 3.31Å; V89-C153 WeakPolarHBondContact CG1-O 3.48Å; V89-R156 HydrophobicContact CB-CB 4.48Å; V89-R156 HydrophobicContact CG1-CB 4.05Å; V89-R156 HydrophobicContact CG2-CB 3.91Å; V89-M157 HydrophobicContact CB-CG 4.43Å; V89-M157 HydrophobicContact CB-SD 4.1Å; V89-M157 HydrophobicContact CG1-CG 4.06Å; V89-M157 HydrophobicContact CG1-SD 4.33Å; V89-M157 HydrophobicContact CG2-CG 3.99Å; V89-M157 HydrophobicContact CG2-SD 3.63Å
90	M	98.9	Very high	98.6	Very high	9 Å²	9	46.5 Å²	46.5	4%	0.044	24%	0.237	C	C	.	.	H	α-helix	trans	-67.1	-40.1	178.5	-70	-174	73.1	0	0	110.8	H68 I72 L75 I81 V86 F87 A92 T93 H123 A124 L127	H68-M90 PolarHBondContact CE1-O 2.93Å; H68-M90 PolarHBondContact NE2-O 3.43Å; I72-M90 HydrophobicContact CD1-CB 3.83Å; I72-M90 HydrophobicContact CD1-CE 3.99Å; I72-M90 HydrophobicContact CG1-CB 4.41Å; I72-M90 HydrophobicContact CG2-CB 4.32Å; L75-M90 HydrophobicContact CD1-CE 4.01Å; I81-M90 HydrophobicContact CD1-CE 4.37Å; I81-M90 HydrophobicContact CD1-SD 3.63Å; I81-M90 HydrophobicContact CG1-SD 3.93Å; V86-M90 HydrophobicContact CG1-CG 4.25Å; V86-M90 HydrophobicContact CG1-SD 3.94Å; V86-M90 WeakPolarHBondContact O-CB 3.47Å; V86-M90 WeakPolarHBondContact O-CG 3.38Å; V86-M90 PolarHBondContact O-N 2.94Å; F87-M90 PolarHBondContact O-N 3.38Å; M90-A92 VanDerWaalsContact C-N 3.3Å; M90-A92 PolarHBondContact O-N 3.47Å; M90-T93 PolarHBondContact O-N 3.48Å; M90-H123 HydrophobicContact CE-CB 4.33Å; M90-A124 HydrophobicContact CE-CB 4Å; M90-A124 HydrophobicContact SD-CB 3.65Å; M90-L127 HydrophobicContact CG-CD1 3.55Å; M90-L127 HydrophobicContact SD-CD1 3.98Å
91	L	98.9	Very high	98.6	Very high	50 Å²	50	49 Å²	49	26%	0.262	26%	0.256	S	S	.	.	H	α-helix	trans	-61.7	-38.5	176.5	-172.1	63.8	0	0	0	112	H68 I72 F87 E88 V89 T93	H68-L91 PolarHBondContact CD2-O 2.93Å; H68-L91 VanDerWaalsContact CD2-O 3.26Å; H68-L91 PolarHBondContact NE2-O 3.41Å; I72-L91 HydrophobicContact CB-CD1 4.25Å; I72-L91 HydrophobicContact CG2-CB 4.23Å; I72-L91 HydrophobicContact CG2-CD1 4.47Å; F87-L91 HydrophobicContact CE1-CD2 4.01Å; F87-L91 HydrophobicContact CZ-CD2 4.14Å; F87-L91 VanDerWaalsContact O-CB 3.23Å; F87-L91 WeakPolarHBondContact O-CB 3.17Å; F87-L91 PolarHBondContact O-N 2.73Å; E88-L91 PolarHBondContact O-N 2.86Å; V89-L91 VanDerWaalsContact C-N 3.35Å; L91-T93 VanDerWaalsContact C-N 3.27Å; L91-T93 PolarHBondContact O-N 3.31Å
92	A	98.8	Very high	98.6	Very high	55 Å²	55	53.2 Å²	53.2	46%	0.455	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-4.4	178	0	0	0	0	0	114.6	E88 V89 M90 R156	E88-A92 VanDerWaalsContact O-CB 3.26Å; E88-A92 WeakPolarHBondContact O-CB 3.46Å; E88-A92 PolarHBondContact O-N 3.49Å; V89-A92 PolarHBondContact O-N 2.99Å; M90-A92 VanDerWaalsContact C-N 3.3Å; M90-A92 PolarHBondContact O-N 3.47Å; A92-R156 PolarHBondContact O-NE 3.36Å; A92-R156 PolarHBondContact O-NH2 2.86Å; A92-R156 VanDerWaalsContact O-NH2 3.11Å
93	T	98.9	Very high	98.6	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.012	26%	0.256	C	S	.	.	S	Bend	trans	-116.1	82.9	-179	-48.4	0	0	0	0	110	H68 V89 M90 L91 R95 Y98 I149 A152 R156	H68-T93 PolarHBondContact CE1-O 3.32Å; H68-T93 PolarHBondContact NE2-O 3.43Å; H68-T93 VanDerWaalsContact NE2-O 3.13Å; V89-T93 PolarHBondContact O-N 3.45Å; V89-T93 PolarHBondContact O-OG1 3.4Å; M90-T93 PolarHBondContact O-N 3.48Å; L91-T93 VanDerWaalsContact C-N 3.27Å; L91-T93 PolarHBondContact O-N 3.31Å; T93-R95 PolarHBondContact O-N 2.91Å; T93-Y98 HydrophobicContact CG2-CE2 3.78Å; T93-I149 HydrophobicContact CG2-CD1 4.48Å; T93-I149 HydrophobicContact CG2-CG1 3.76Å; T93-A152 HydrophobicContact CG2-CB 4.25Å; T93-R156 VanDerWaalsContact CG2-NH1 3.33Å; T93-R156 WeakPolarHBondContact OG1-CD 3.29Å; T93-R156 PolarHBondContact OG1-NH1 2.9Å
94	D	98.9	Very high	98.6	Very high	43 Å²	43	47.9 Å²	47.9	23%	0.23	25%	0.253	C	S	.	.			trans	-67	120.6	-172.6	-166.8	-52.5	0	0	0	112	H68 S96 H97 Y98 Y104	H68-D94 VanDerWaalsContact CB-OD2 3.32Å; H68-D94 WeakPolarHBondContact CB-OD2 3.49Å; H68-D94 IonicContact CG-OD2 2.9Å; D94-S96 PolarHBondContact O-N 3.04Å; D94-S96 VanDerWaalsContact O-N 3.12Å; D94-S96 VanDerWaalsContact OD1-CB 3.25Å; D94-S96 WeakPolarHBondContact OD1-CB 3.42Å; D94-S96 PolarHBondContact OD1-N 2.88Å; D94-S96 PolarHBondContact OD1-OG 3.4Å; D94-H97 PolarHBondContact O-N 2.89Å; D94-Y98 VanDerWaalsContact O-CD2 3.31Å; D94-Y98 WeakPolarHBondContact O-CD2 3.4Å; D94-Y104 WeakPolarHBondContact OD1-CE1 3.47Å; D94-Y104 PolarHBondContact OD1-OH 3.37Å
95	R	98.8	Very high	98.6	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.015	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-60.5	-22.2	-178	-95.5	-178.4	90.8	95.9	-5.3	114.2	H68 T93 H97 Y98 A99 P103 Y104 S118 H123 I149	H68-R95 PolarHBondContact ND1-N 2.85Å; T93-R95 PolarHBondContact O-N 2.91Å; R95-H97 PolarHBondContact O-N 3.18Å; R95-Y98 PolarHBondContact O-N 3.43Å; R95-A99 PolarHBondContact O-N 3.17Å; R95-P103 HydrophobicContact CB-CB 4.17Å; R95-P103 VanDerWaalsContact CB-O 3.31Å; R95-P103 WeakPolarHBondContact CB-O 3.48Å; R95-P103 WeakPolarHBondContact CD-O 3.22Å; R95-P103 PolarHBondContact NE-O 2.73Å; R95-Y104 HydrophobicContact CB-CD1 4.39Å; R95-Y104 HydrophobicContact CB-CE1 4.44Å; R95-S118 VanDerWaalsContact CZ-O 3.29Å; R95-S118 PolarHBondContact NH1-O 3.32Å; R95-S118 PolarHBondContact NH2-O 3.26Å; R95-H123 PolarHBondContact NH1-CE1 3.05Å; R95-H123 PolarHBondContact NH1-ND1 3.21Å; R95-I149 HydrophobicContact CB-CD1 4.37Å; R95-I149 HydrophobicContact CG-CD1 3.35Å
96	S	98.6	Very high	98.5	Very high	51 Å²	51	44.9 Å²	44.9	36%	0.357	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-64.2	-23.1	179.5	63.4	0	0	0	0	113.6	D94 Y98 Y104	D94-S96 PolarHBondContact O-N 3.04Å; D94-S96 VanDerWaalsContact O-N 3.12Å; D94-S96 VanDerWaalsContact OD1-CB 3.25Å; D94-S96 WeakPolarHBondContact OD1-CB 3.42Å; D94-S96 PolarHBondContact OD1-N 2.88Å; D94-S96 PolarHBondContact OD1-OG 3.4Å; S96-Y98 VanDerWaalsContact C-N 3.26Å; S96-Y98 PolarHBondContact O-N 3.39Å; S96-Y104 WeakPolarHBondContact CB-OH 3.23Å
97	H	98.8	Very high	98.4	Very high	60 Å²	60	46.5 Å²	46.5	28%	0.278	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-72.7	-21.2	172.2	-60.5	-50.9	0	0	0	113	D94 R95 N180 D184	D94-H97 PolarHBondContact O-N 2.89Å; R95-H97 PolarHBondContact O-N 3.18Å; H97-N180 VanDerWaalsContact O-CB 3.31Å; H97-N180 WeakPolarHBondContact O-CB 3.37Å; H97-N180 PolarHBondContact O-OD1 3.27Å; H97-N180 VanDerWaalsContact O-OD1 3.09Å; H97-D184 HydrophobicContact CB-CB 4.15Å; H97-D184 IonicContact CD2-OD1 3.05Å
98	Y	98.8	Very high	98.3	Very high	6 Å²	6	49.6 Å²	49.6	2%	0.024	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116	-19.9	-168.4	-59.5	-84.8	0	0	0	114	T93 D94 R95 S96 S147 I149 A152 N180 V181 D184	T93-Y98 HydrophobicContact CG2-CE2 3.78Å; D94-Y98 VanDerWaalsContact O-CD2 3.31Å; D94-Y98 WeakPolarHBondContact O-CD2 3.4Å; R95-Y98 PolarHBondContact O-N 3.43Å; S96-Y98 VanDerWaalsContact C-N 3.26Å; S96-Y98 PolarHBondContact O-N 3.39Å; Y98-S147 WeakPolarHBondContact CD1-O 3.28Å; Y98-I149 HydrophobicContact CD1-CB 3.63Å; Y98-I149 HydrophobicContact CD1-CG1 4.25Å; Y98-I149 HydrophobicContact CD2-CB 4Å; Y98-I149 HydrophobicContact CD2-CD1 3.85Å; Y98-I149 HydrophobicContact CD2-CG1 3.69Å; Y98-I149 HydrophobicContact CE1-CB 4.09Å; Y98-I149 HydrophobicContact CE2-CB 4.42Å; Y98-I149 HydrophobicContact CE2-CG1 4.02Å; Y98-I149 HydrophobicContact CG-CB 3.58Å; Y98-I149 HydrophobicContact CG-CD1 4.06Å; Y98-I149 HydrophobicContact CG-CG1 3.82Å; Y98-A152 WeakPolarHBondContact OH-CB 3.24Å; Y98-N180 HydrophobicContact CD1-CB 3.63Å; Y98-N180 HydrophobicContact CE1-CB 3.82Å; Y98-N180 HydrophobicContact CG-CB 4.4Å; Y98-V181 HydrophobicContact CE1-CG2 4.16Å; Y98-D184 HydrophobicContact CE2-CB 4.09Å; Y98-D184 WeakPolarHBondContact OH-CB 3.37Å; Y98-D184 PolarHBondContact OH-OD2 2.83Å
99	A	98.5	Very high	98.3	Very high	3 Å²	3	45.5 Å²	45.5	3%	0.025	25%	0.253	C	S	.	.			trans	-126.3	117.7	179	0	0	0	0	0	110.5	R95 P103 I117	R95-A99 PolarHBondContact O-N 3.17Å; A99-P103 HydrophobicContact CB-CB 4.07Å; A99-I117 HydrophobicContact CB-CD1 4.24Å; A99-I117 HydrophobicContact CB-CG2 4.07Å
100	K	97.3	Very high	98.3	Very high	173 Å²	173	49.4 Å²	49.4	75%	0.752	28%	0.28	S	S	*	.	S	Bend	trans	-69.4	-33.4	-177.9	-65	173.5	-176.7	165.7	0	112.8	D176	K100-D176 IonicContact NZ-OD2 2.75Å
101	C	97.6	Very high	98.3	Very high	84 Å²	84	50.2 Å²	50.2	57%	0.568	29%	0.285	S	S	*	.	S	Bend	trans	-125.4	143.1	-176.6	-59.8	0	0	0	0	110.1	P103 Q109	C101-P103 VanDerWaalsContact C-CD 3.5Å; C101-P103 VanDerWaalsContact C-N 3.33Å; C101-Q109 WeakPolarHBondContact O-CG 3.28Å
102	N	97.8	Very high	98.2	Very high	94 Å²	94	49.2 Å²	49.2	50%	0.503	29%	0.286	S	S	.	.			trans	44.1	49.2	177.7	-49.6	-52.4	0	0	0	114.2	Y104 M105	N102-Y104 PolarHBondContact O-N 3.35Å; N102-M105 HydrophobicContact CB-CB 4.01Å; N102-M105 HydrophobicContact CB-CE 3.89Å; N102-M105 HydrophobicContact CB-SD 4.5Å; N102-M105 WeakPolarHBondContact O-CB 3.34Å; N102-M105 PolarHBondContact O-N 2.93Å; N102-M105 VanDerWaalsContact O-N 3.13Å
103	P	98.4	Very high	98.1	Very high	25 Å²	25	48.1 Å²	48.1	16%	0.162	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-27.4	-169.9	24.5	-35.1	0	0	0	113.5	R95 A99 C101	R95-P103 HydrophobicContact CB-CB 4.17Å; R95-P103 VanDerWaalsContact CB-O 3.31Å; R95-P103 WeakPolarHBondContact CB-O 3.48Å; R95-P103 WeakPolarHBondContact CD-O 3.22Å; R95-P103 PolarHBondContact NE-O 2.73Å; A99-P103 HydrophobicContact CB-CB 4.07Å; C101-P103 VanDerWaalsContact C-CD 3.5Å; C101-P103 VanDerWaalsContact C-N 3.33Å
104	Y	98.6	Very high	98	Very high	47 Å²	47	54.5 Å²	54.5	18%	0.184	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	10.7	-174.5	-45.8	-41.6	0	0	0	113.8	G64 G65 H68 D94 R95 S96 N102	G64-Y104 CarbonylContact C-O 3.43Å; G64-Y104 VanDerWaalsContact CA-O 3.31Å; G64-Y104 WeakPolarHBondContact CA-O 3.39Å; G65-Y104 PolarHBondContact N-O 2.79Å; G65-Y104 WeakPolarHBondContact O-CB 3.4Å; H68-Y104 HydrophobicContact CB-CD1 3.96Å; H68-Y104 HydrophobicContact CB-CE1 3.54Å; D94-Y104 WeakPolarHBondContact OD1-CE1 3.47Å; D94-Y104 PolarHBondContact OD1-OH 3.37Å; R95-Y104 HydrophobicContact CB-CD1 4.39Å; R95-Y104 HydrophobicContact CB-CE1 4.44Å; S96-Y104 WeakPolarHBondContact CB-OH 3.23Å; N102-Y104 PolarHBondContact O-N 3.35Å
105	M	97.9	Very high	97.9	Very high	84 Å²	84	52.9 Å²	52.9	41%	0.414	29%	0.294	S	S	.	.	S	Bend	trans	-81.5	132.9	171.6	-163.7	162.7	63.8	0	0	109	N102 S107 Q109	N102-M105 HydrophobicContact CB-CB 4.01Å; N102-M105 HydrophobicContact CB-CE 3.89Å; N102-M105 HydrophobicContact CB-SD 4.5Å; N102-M105 WeakPolarHBondContact O-CB 3.34Å; N102-M105 PolarHBondContact O-N 2.93Å; N102-M105 VanDerWaalsContact O-N 3.13Å; M105-S107 VanDerWaalsContact CE-OG 3.28Å; M105-S107 WeakPolarHBondContact CE-OG 3.5Å; M105-S107 WeakPolarHBondContact CG-OG 3.47Å; M105-S107 PolarHBondContact O-N 2.95Å; M105-Q109 VanDerWaalsContact CE-NE2 3.29Å
106	D	98	Very high	97.9	Very high	26 Å²	26	55.4 Å²	55.4	14%	0.139	31%	0.309	C	S	.	.	S	Bend	trans	-79.9	62.3	179.1	-176.2	38.3	0	0	0	112	S63 L71 P120 H121	S63-D106 WeakPolarHBondContact CB-OD2 3.43Å; S63-D106 VanDerWaalsContact OG-CB 3.24Å; S63-D106 WeakPolarHBondContact OG-CB 3.42Å; S63-D106 PolarHBondContact OG-OD2 2.81Å; L71-D106 HydrophobicContact CD1-CB 4.24Å; D106-P120 HydrophobicContact CB-CG 4.46Å; D106-P120 WeakPolarHBondContact OD1-CB 3.45Å; D106-P120 VanDerWaalsContact OD1-CD 3.3Å; D106-P120 WeakPolarHBondContact OD1-CD 3.31Å; D106-H121 IonicContact OD1-CE1 2.91Å; D106-H121 IonicContact OD1-CG 2.92Å; D106-H121 PolarHBondContact OD1-N 2.89Å; D106-H121 VanDerWaalsContact OD1-N 3.09Å; D106-H121 IonicContact OD1-ND1 2.63Å; D106-H121 PolarHBondContact OD1-ND1 2.76Å; D106-H121 IonicContact OD2-CE1 3.77Å; D106-H121 IonicContact OD2-CG 2.69Å; D106-H121 IonicContact OD2-ND1 2.76Å; D106-H121 PolarHBondContact OD2-ND1 2.81Å
107	S	96.8	Very high	97.9	Very high	34 Å²	34	53.1 Å²	53.1	24%	0.238	29%	0.293	C	S	.	.	S	Bend	trans	-157.5	159.6	178.9	60.3	0	0	0	0	110.7	M105 Q109	M105-S107 VanDerWaalsContact CE-OG 3.28Å; M105-S107 WeakPolarHBondContact CE-OG 3.5Å; M105-S107 WeakPolarHBondContact CG-OG 3.47Å; M105-S107 PolarHBondContact O-N 2.95Å; S107-Q109 PolarHBondContact O-NE2 2.82Å; S107-Q109 PolarHBondContact OG-NE2 3.11Å; S107-Q109 VanDerWaalsContact OG-NE2 3.09Å
108	P	97.4	Very high	97.8	Very high	75 Å²	75	51.4 Å²	51.4	49%	0.487	29%	0.288	S	S	.	.			trans	-62.5	139.7	178.8	-20.2	33.5	0	0	0	111.6	I117 A119	P108-I117 VanDerWaalsContact CA-O 3.25Å; P108-I117 WeakPolarHBondContact CA-O 3.39Å; P108-A119 HydrophobicContact CG-CB 4.33Å
109	Q	98.4	Very high	97.8	Very high	19 Å²	19	51.3 Å²	51.3	9%	0.089	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	143.7	174.1	-54.1	-54.7	-54.8	0	0	109.9	C101 M105 S107 T116 I117	C101-Q109 WeakPolarHBondContact O-CG 3.28Å; M105-Q109 VanDerWaalsContact CE-NE2 3.29Å; S107-Q109 PolarHBondContact O-NE2 2.82Å; S107-Q109 PolarHBondContact OG-NE2 3.11Å; S107-Q109 VanDerWaalsContact OG-NE2 3.09Å; Q109-T116 CarbonylContact O-C 3.58Å; Q109-T116 WeakPolarHBondContact O-CA 3.15Å; Q109-T116 VanDerWaalsContact O-CB 3.31Å; Q109-T116 WeakPolarHBondContact O-CB 3.29Å; Q109-I117 HydrophobicContact CB-CG2 3.73Å; Q109-I117 HydrophobicContact CG-CG2 4.5Å; Q109-I117 PolarHBondContact N-O 3.45Å; Q109-I117 VanDerWaalsContact N-O 3.09Å; Q109-I117 WeakPolarHBondContact O-CG2 3.46Å; Q109-I117 PolarHBondContact O-N 3Å
110	S	98	Very high	97.8	Very high	93 Å²	93	51.2 Å²	51.2	65%	0.65	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.9	136.1	175.2	-178.4	0	0	0	0	111.1	G112	S110-G112 PolarHBondContact OG-N 3.32Å
111	I	98.3	Very high	97.8	Very high	26 Å²	26	45.3 Å²	45.3	13%	0.133	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	12.6	171.8	58.3	176	0	0	0	111.8	A115 I117 L173	I111-A115 HydrophobicContact CD1-CB 4.06Å; I111-A115 HydrophobicContact CG1-CB 3.85Å; I111-A115 PolarHBondContact N-O 3.24Å; I111-A115 VanDerWaalsContact N-O 3.1Å; I111-I117 HydrophobicContact CG2-CB 3.85Å; I111-I117 HydrophobicContact CG2-CG2 3.75Å; I111-L173 HydrophobicContact CD1-CD2 3.91Å; I111-L173 HydrophobicContact CG1-CD2 4.01Å
112	G	97.4	Very high	97.8	Very high	29 Å²	29	42.6 Å²	42.6	30%	0.299	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	85.9	178.7	-173.1	0	0	0	0	0	112.7	S110 Q114 A115	S110-G112 PolarHBondContact OG-N 3.32Å; G112-Q114 PolarHBondContact O-N 2.93Å; G112-Q114 VanDerWaalsContact O-N 3.11Å; G112-A115 WeakPolarHBondContact O-CB 3.43Å; G112-A115 PolarHBondContact O-N 3.24Å
113	F	97.4	Very high	97.9	Very high	32 Å²	32	38.8 Å²	38.8	14%	0.14	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	31.1	171.9	-45.7	-82.9	0	0	0	115.1	A115 I170 E172 L173 Q280 W281	F113-A115 PolarHBondContact O-N 3.47Å; F113-A115 VanDerWaalsContact O-N 3.11Å; F113-I170 HydrophobicContact CB-CG2 4.03Å; F113-I170 HydrophobicContact CD1-CG2 3.81Å; F113-I170 HydrophobicContact CD2-CG2 4.48Å; F113-I170 HydrophobicContact CE1-CG2 4.44Å; F113-I170 HydrophobicContact CG-CG2 3.85Å; F113-E172 HydrophobicContact CD1-CB 4.34Å; F113-E172 HydrophobicContact CE1-CB 3.5Å; F113-E172 HydrophobicContact CE1-CG 3.77Å; F113-E172 HydrophobicContact CE2-CB 3.81Å; F113-E172 HydrophobicContact CZ-CB 3.19Å; F113-E172 HydrophobicContact CZ-CG 3.82Å; F113-L173 HydrophobicContact CB-CD1 4.28Å; F113-L173 HydrophobicContact CB-CG 4.32Å; F113-L173 HydrophobicContact CD2-CD2 3.51Å; F113-L173 HydrophobicContact CD2-CG 3.73Å; F113-L173 HydrophobicContact CE2-CD2 4.11Å; F113-L173 HydrophobicContact CE2-CG 4.44Å; F113-L173 HydrophobicContact CG-CD2 4.41Å; F113-L173 HydrophobicContact CG-CG 4.23Å; F113-Q280 WeakPolarHBondContact O-CG 3.27Å; F113-Q280 PolarHBondContact O-NE2 2.84Å; F113-W281 HydrophobicContact CB-CD2 4.3Å; F113-W281 HydrophobicContact CB-CG 4.39Å; F113-W281 AromaticContact CD1-CD1 3.8Å; F113-W281 HydrophobicContact CD1-CD2 4Å; F113-W281 AromaticContact CD1-CE2 3.57Å; F113-W281 HydrophobicContact CD1-CG 4.14Å; F113-W281 HydrophobicContact CD1-CZ2 4.03Å; F113-W281 AromaticContact CD1-NE1 3.42Å; F113-W281 HydrophobicContact CE1-CZ2 4.37Å; F113-W281 AromaticContact CE1-NE1 3.86Å
114	Q	96.4	Very high	97.9	Very high	137 Å²	137	37.6 Å²	37.6	64%	0.64	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	22.1	-171	-55.7	-168.8	44.1	0	0	114.3	G112 Q280 W281	G112-Q114 PolarHBondContact O-N 2.93Å; G112-Q114 VanDerWaalsContact O-N 3.11Å; Q114-Q280 HydrophobicContact CB-CG 4.19Å; Q114-Q280 PolarHBondContact NE2-O 3.16Å; Q114-W281 HydrophobicContact CG-CE3 4.23Å; Q114-W281 HydrophobicContact CG-CZ3 4.44Å
115	A	97.3	Very high	97.9	Very high	9 Å²	9	38.4 Å²	38.4	7%	0.074	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	157.3	175.6	0	0	0	0	0	111	I111 G112 F113 L173	I111-A115 HydrophobicContact CD1-CB 4.06Å; I111-A115 HydrophobicContact CG1-CB 3.85Å; I111-A115 PolarHBondContact N-O 3.24Å; I111-A115 VanDerWaalsContact N-O 3.1Å; G112-A115 WeakPolarHBondContact O-CB 3.43Å; G112-A115 PolarHBondContact O-N 3.24Å; F113-A115 PolarHBondContact O-N 3.47Å; F113-A115 VanDerWaalsContact O-N 3.11Å; A115-L173 HydrophobicContact CB-CD1 3.7Å
116	T	98.1	Very high	97.9	Very high	56 Å²	56	34.6 Å²	34.6	34%	0.344	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	141.1	176	55.9	0	0	0	0	109.9	Q109 S118	Q109-T116 CarbonylContact O-C 3.58Å; Q109-T116 WeakPolarHBondContact O-CA 3.15Å; Q109-T116 VanDerWaalsContact O-CB 3.31Å; Q109-T116 WeakPolarHBondContact O-CB 3.29Å; T116-S118 PolarHBondContact O-N 3.41Å
117	I	98.3	Very high	98	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.015	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	123.9	160.1	179.7	-178.2	0	0	0	107.6	A99 P108 Q109 I111 I149	A99-I117 HydrophobicContact CB-CD1 4.24Å; A99-I117 HydrophobicContact CB-CG2 4.07Å; P108-I117 VanDerWaalsContact CA-O 3.25Å; P108-I117 WeakPolarHBondContact CA-O 3.39Å; Q109-I117 HydrophobicContact CB-CG2 3.73Å; Q109-I117 HydrophobicContact CG-CG2 4.5Å; Q109-I117 PolarHBondContact N-O 3.45Å; Q109-I117 VanDerWaalsContact N-O 3.09Å; Q109-I117 WeakPolarHBondContact O-CG2 3.46Å; Q109-I117 PolarHBondContact O-N 3Å; I111-I117 HydrophobicContact CG2-CB 3.85Å; I111-I117 HydrophobicContact CG2-CG2 3.75Å; I117-I149 HydrophobicContact CD1-CB 4.34Å; I117-I149 HydrophobicContact CD1-CD1 4.02Å; I117-I149 HydrophobicContact CD1-CG2 3.85Å; I117-I149 HydrophobicContact CG1-CG2 3.97Å
118	S	97.4	Very high	98.1	Very high	25 Å²	25	32.8 Å²	32.8	18%	0.175	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-59.7	157	-176.5	-53.5	0	0	0	0	112.4	R95 T116	R95-S118 VanDerWaalsContact CZ-O 3.29Å; R95-S118 PolarHBondContact NH1-O 3.32Å; R95-S118 PolarHBondContact NH2-O 3.26Å; T116-S118 PolarHBondContact O-N 3.41Å
119	A	97.9	Very high	98.1	Very high	3 Å²	3	31.1 Å²	31.1	3%	0.025	17%	0.172	C	C	.	.	P	Polyproline II helix	trans	-57.3	142.6	174.3	0	0	0	0	0	110.8	P108 H121 M122 H123	P108-A119 HydrophobicContact CG-CB 4.33Å; A119-H121 VanDerWaalsContact C-N 3.27Å; A119-H121 WeakPolarHBondContact CB-CE1 3.49Å; A119-H121 PolarHBondContact O-N 3.46Å; A119-M122 HydrophobicContact CB-CG 4.41Å; A119-M122 WeakPolarHBondContact O-CB 3.21Å; A119-M122 PolarHBondContact O-N 3.2Å; A119-H123 PolarHBondContact O-N 2.88Å
120	P	98.6	Very high	98.1	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	17%	0.168	C	C	.	.	H	α-helix	trans	-45.8	-44.1	175.4	-29	32.7	0	0	0	114.9	L71 L75 D106 M122 H123 A124	L71-P120 HydrophobicContact CD1-CB 3.99Å; L71-P120 HydrophobicContact CD1-CG 3.93Å; L71-P120 HydrophobicContact CD2-CB 4.05Å; L71-P120 HydrophobicContact CD2-CG 3.68Å; L71-P120 HydrophobicContact CG-CB 4.41Å; L71-P120 HydrophobicContact CG-CG 4.39Å; L75-P120 HydrophobicContact CD1-CB 3.73Å; D106-P120 HydrophobicContact CB-CG 4.46Å; D106-P120 WeakPolarHBondContact OD1-CB 3.45Å; D106-P120 VanDerWaalsContact OD1-CD 3.3Å; D106-P120 WeakPolarHBondContact OD1-CD 3.31Å; P120-M122 VanDerWaalsContact C-N 3.26Å; P120-M122 PolarHBondContact O-N 2.83Å; P120-H123 PolarHBondContact O-N 2.82Å; P120-A124 PolarHBondContact O-N 2.84Å
121	H	98	Very high	98.2	Very high	50 Å²	50	28.5 Å²	28.5	23%	0.231	15%	0.149	C	C	.	.	H	α-helix	trans	-61.7	-30.9	177.5	61.3	-101.2	0	0	0	113.6	L75 I80 D106 A119 A124 Y125	L75-H121 HydrophobicContact CD2-CB 4.2Å; I80-H121 HydrophobicContact CG2-CB 3.76Å; D106-H121 IonicContact OD1-CE1 2.91Å; D106-H121 IonicContact OD1-CG 2.92Å; D106-H121 PolarHBondContact OD1-N 2.89Å; D106-H121 VanDerWaalsContact OD1-N 3.09Å; D106-H121 IonicContact OD1-ND1 2.63Å; D106-H121 PolarHBondContact OD1-ND1 2.76Å; D106-H121 IonicContact OD2-CE1 3.77Å; D106-H121 IonicContact OD2-CG 2.69Å; D106-H121 IonicContact OD2-ND1 2.76Å; D106-H121 PolarHBondContact OD2-ND1 2.81Å; A119-H121 VanDerWaalsContact C-N 3.27Å; A119-H121 WeakPolarHBondContact CB-CE1 3.49Å; A119-H121 PolarHBondContact O-N 3.46Å; H121-A124 WeakPolarHBondContact O-CB 3.4Å; H121-A124 PolarHBondContact O-N 2.81Å; H121-Y125 HydrophobicContact CB-CE2 4.42Å; H121-Y125 AromaticContact CD2-CE2 3.98Å; H121-Y125 WeakPolarHBondContact O-CD2 3.38Å; H121-Y125 PolarHBondContact O-N 3.03Å
122	M	98	Very high	98.2	Very high	27 Å²	27	32.5 Å²	32.5	13%	0.133	17%	0.17	C	C	.	.	H	α-helix	trans	-70.8	-35.6	176.9	-64.7	-52	-60.1	0	0	112	A119 P120 Y125 A126 M267 V269 Y271	A119-M122 HydrophobicContact CB-CG 4.41Å; A119-M122 WeakPolarHBondContact O-CB 3.21Å; A119-M122 PolarHBondContact O-N 3.2Å; P120-M122 VanDerWaalsContact C-N 3.26Å; P120-M122 PolarHBondContact O-N 2.83Å; M122-Y125 HydrophobicContact CE-CD2 4.43Å; M122-Y125 PolarHBondContact O-N 3.38Å; M122-Y125 HydrophobicContact SD-CD2 3.84Å; M122-Y125 HydrophobicContact SD-CE2 4.28Å; M122-A126 PolarHBondContact O-N 2.86Å; M122-M267 HydrophobicContact CE-CE 4.31Å; M122-V269 HydrophobicContact CE-CG1 3.99Å; M122-Y271 HydrophobicContact CE-CE2 3.5Å; M122-Y271 WeakPolarHBondContact CE-OH 3.38Å
123	H	98.8	Very high	98.3	Very high	13 Å²	13	31.9 Å²	31.9	6%	0.06	16%	0.16	C	C	.	.	H	α-helix	trans	-65.8	-41.7	171.3	-61.7	158	0	0	0	111.5	M90 R95 A119 P120 Y125 A126 L127 I149 L150	M90-H123 HydrophobicContact CE-CB 4.33Å; R95-H123 PolarHBondContact NH1-CE1 3.05Å; R95-H123 PolarHBondContact NH1-ND1 3.21Å; A119-H123 PolarHBondContact O-N 2.88Å; P120-H123 PolarHBondContact O-N 2.82Å; H123-Y125 VanDerWaalsContact C-N 3.35Å; H123-Y125 PolarHBondContact O-N 3.15Å; H123-A126 PolarHBondContact O-N 3.23Å; H123-L127 WeakPolarHBondContact O-CB 3.25Å; H123-L127 WeakPolarHBondContact O-CD1 3.21Å; H123-L127 VanDerWaalsContact O-CG 3.28Å; H123-L127 WeakPolarHBondContact O-CG 3.49Å; H123-L127 PolarHBondContact O-N 3.46Å; H123-I149 WeakPolarHBondContact CE1-CG2 3.44Å; H123-L150 HydrophobicContact CB-CD1 4.05Å
124	A	98.7	Very high	98.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-58.5	-46.9	174.4	0	0	0	0	0	111.1	I80 I81 M90 P120 H121 A126 L127 E128	I80-A124 HydrophobicContact CG2-CB 3.82Å; I81-A124 HydrophobicContact CG1-CB 3.82Å; M90-A124 HydrophobicContact CE-CB 4Å; M90-A124 HydrophobicContact SD-CB 3.65Å; P120-A124 PolarHBondContact O-N 2.84Å; H121-A124 WeakPolarHBondContact O-CB 3.4Å; H121-A124 PolarHBondContact O-N 2.81Å; A124-A126 PolarHBondContact O-N 2.81Å; A124-L127 PolarHBondContact O-N 3.34Å; A124-E128 WeakPolarHBondContact O-CB 3.48Å; A124-E128 WeakPolarHBondContact O-CG 3.33Å; A124-E128 PolarHBondContact O-N 2.99Å
125	Y	98.4	Very high	98.5	Very high	65 Å²	65	27.9 Å²	27.9	26%	0.255	14%	0.141	S	C	.	.	H	α-helix	trans	-59.7	-45.5	176.5	-67.8	-43.1	0	0	0	112.9	I80 H121 M122 H123 L127 E128 L129 M267	I80-Y125 WeakPolarHBondContact CD1-OH 3.31Å; I80-Y125 HydrophobicContact CG2-CE1 4.14Å; H121-Y125 HydrophobicContact CB-CE2 4.42Å; H121-Y125 AromaticContact CD2-CE2 3.98Å; H121-Y125 WeakPolarHBondContact O-CD2 3.38Å; H121-Y125 PolarHBondContact O-N 3.03Å; M122-Y125 HydrophobicContact CE-CD2 4.43Å; M122-Y125 PolarHBondContact O-N 3.38Å; M122-Y125 HydrophobicContact SD-CD2 3.84Å; M122-Y125 HydrophobicContact SD-CE2 4.28Å; H123-Y125 VanDerWaalsContact C-N 3.35Å; H123-Y125 PolarHBondContact O-N 3.15Å; Y125-L127 PolarHBondContact O-N 2.85Å; Y125-E128 PolarHBondContact O-N 3.35Å; Y125-L129 VanDerWaalsContact O-CB 3.29Å; Y125-L129 WeakPolarHBondContact O-CB 3.22Å; Y125-L129 WeakPolarHBondContact O-CD1 3.39Å; Y125-L129 WeakPolarHBondContact O-CG 3.45Å; Y125-L129 PolarHBondContact O-N 3.41Å; Y125-M267 HydrophobicContact CD2-CE 3.68Å; Y125-M267 HydrophobicContact CE2-CE 4.11Å; Y125-M267 HydrophobicContact CG-CE 3.98Å
126	A	98.7	Very high	98.5	Very high	3 Å²	3	32.5 Å²	32.5	3%	0.025	16%	0.161	C	C	.	.	H	α-helix	trans	-60.2	-45.1	177.6	0	0	0	0	0	112	M122 H123 A124 L129 L130 L150	M122-A126 PolarHBondContact O-N 2.86Å; H123-A126 PolarHBondContact O-N 3.23Å; A124-A126 PolarHBondContact O-N 2.81Å; A126-L129 PolarHBondContact O-N 2.95Å; A126-L130 WeakPolarHBondContact O-CB 3.35Å; A126-L130 PolarHBondContact O-N 2.78Å; A126-L150 HydrophobicContact CB-CD1 4.46Å; A126-L150 HydrophobicContact CB-CD2 4.1Å
127	L	98.9	Very high	98.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64	-43.1	178.9	-71.4	165.3	0	0	0	112.4	V86 M90 H123 A124 Y125 F131 L134 L150 C153 F154 M157	V86-L127 HydrophobicContact CG1-CB 3.82Å; V86-L127 HydrophobicContact CG1-CD1 4.1Å; V86-L127 HydrophobicContact CG2-CB 3.94Å; M90-L127 HydrophobicContact CG-CD1 3.55Å; M90-L127 HydrophobicContact SD-CD1 3.98Å; H123-L127 WeakPolarHBondContact O-CB 3.25Å; H123-L127 WeakPolarHBondContact O-CD1 3.21Å; H123-L127 VanDerWaalsContact O-CG 3.28Å; H123-L127 WeakPolarHBondContact O-CG 3.49Å; H123-L127 PolarHBondContact O-N 3.46Å; A124-L127 PolarHBondContact O-N 3.34Å; Y125-L127 PolarHBondContact O-N 2.85Å; L127-F131 WeakPolarHBondContact O-CA 3.43Å; L127-F131 PolarHBondContact O-N 3.07Å; L127-L134 HydrophobicContact CD2-CD1 4.25Å; L127-L150 HydrophobicContact CD1-CD1 4.46Å; L127-L150 HydrophobicContact CD2-CD1 4.34Å; L127-L150 HydrophobicContact CG-CD1 4.07Å; L127-C153 HydrophobicContact CD1-CB 4.04Å; L127-C153 HydrophobicContact CD2-CB 3.9Å; L127-F154 HydrophobicContact CD2-CD1 3.61Å; L127-F154 HydrophobicContact CD2-CE1 3.73Å; L127-F154 HydrophobicContact CG-CE1 4.43Å; L127-M157 HydrophobicContact CD2-CG 3.73Å; L127-M157 HydrophobicContact CD2-SD 4.4Å
128	E	98.8	Very high	98.6	Very high	23 Å²	23	31.5 Å²	31.5	11%	0.107	16%	0.162	C	C	.	.	H	α-helix	trans	-68.8	-38.7	177.9	-65.7	-71.4	-173.9	0	0	111.9	K82 T83 V86 A124 Y125 L130 F131	K82-E128 WeakPolarHBondContact CA-OE1 3.36Å; K82-E128 PolarHBondContact N-OE1 3.31Å; T83-E128 WeakPolarHBondContact CG2-OE2 3.31Å; T83-E128 PolarHBondContact N-OE1 3.14Å; T83-E128 PolarHBondContact OG1-OE1 3.07Å; T83-E128 PolarHBondContact OG1-OE2 3.38Å; V86-E128 HydrophobicContact CG1-CG 4.28Å; V86-E128 HydrophobicContact CG2-CG 4.32Å; A124-E128 WeakPolarHBondContact O-CB 3.48Å; A124-E128 WeakPolarHBondContact O-CG 3.33Å; A124-E128 PolarHBondContact O-N 2.99Å; Y125-E128 PolarHBondContact O-N 3.35Å; E128-L130 VanDerWaalsContact C-N 3.31Å; E128-L130 PolarHBondContact O-N 3.41Å; E128-F131 WeakPolarHBondContact O-CB 3.14Å; E128-F131 PolarHBondContact O-N 3.35Å
129	L	98.8	Very high	98.6	Very high	40 Å²	40	32.5 Å²	32.5	21%	0.209	16%	0.164	C	C	.	.	H	α-helix	trans	-69.1	-29.7	178.8	-73.6	168.3	0	0	0	112.7	Y125 A126 R236 I238 L250 L266	Y125-L129 VanDerWaalsContact O-CB 3.29Å; Y125-L129 WeakPolarHBondContact O-CB 3.22Å; Y125-L129 WeakPolarHBondContact O-CD1 3.39Å; Y125-L129 WeakPolarHBondContact O-CG 3.45Å; Y125-L129 PolarHBondContact O-N 3.41Å; A126-L129 PolarHBondContact O-N 2.95Å; L129-R236 VanDerWaalsContact O-CD 3.3Å; L129-R236 WeakPolarHBondContact O-CD 3.46Å; L129-R236 PolarHBondContact O-NH1 3.3Å; L129-I238 HydrophobicContact CB-CD1 4.1Å; L129-I238 HydrophobicContact CB-CG1 4.15Å; L129-I238 HydrophobicContact CD1-CD1 4.32Å; L129-I238 HydrophobicContact CD1-CG2 4.37Å; L129-L250 HydrophobicContact CD1-CD2 3.86Å; L129-L266 HydrophobicContact CD1-CD1 3.57Å; L129-L266 HydrophobicContact CD2-CD1 3.71Å; L129-L266 HydrophobicContact CG-CD1 4.28Å
130	L	98.9	Very high	98.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	9.2	179.5	-68	169.1	0	0	0	112.9	A126 E128 D132 Q133 L134 F154 A213 H215 R236 I238	A126-L130 WeakPolarHBondContact O-CB 3.35Å; A126-L130 PolarHBondContact O-N 2.78Å; E128-L130 VanDerWaalsContact C-N 3.31Å; E128-L130 PolarHBondContact O-N 3.41Å; L130-D132 VanDerWaalsContact C-N 3.35Å; L130-D132 PolarHBondContact O-N 3.02Å; L130-Q133 CarbonylContact O-C 3.54Å; L130-Q133 PolarHBondContact O-N 3.48Å; L130-L134 HydrophobicContact CB-CD1 3.68Å; L130-L134 HydrophobicContact CB-CG 3.99Å; L130-L134 WeakPolarHBondContact O-CB 3.39Å; L130-L134 WeakPolarHBondContact O-CG 3.48Å; L130-L134 PolarHBondContact O-N 3.21Å; L130-F154 HydrophobicContact CD1-CE1 4.31Å; L130-F154 HydrophobicContact CD1-CE2 4.47Å; L130-F154 HydrophobicContact CD1-CZ 3.75Å; L130-A213 HydrophobicContact CD1-CB 4.49Å; L130-A213 HydrophobicContact CD2-CB 4.09Å; L130-H215 HydrophobicContact CD1-CB 3.95Å; L130-R236 HydrophobicContact CD2-CB 3.92Å; L130-R236 HydrophobicContact CD2-CG 3.8Å; L130-I238 HydrophobicContact CD1-CG1 4.38Å; L130-I238 HydrophobicContact CD2-CG1 3.8Å; L130-I238 HydrophobicContact CG-CG1 3.89Å
131	F	98.9	Very high	98.7	Very high	56 Å²	56	32.3 Å²	32.3	25%	0.246	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-50.9	-170.4	-173.9	-84.2	0	0	0	113.3	T83 K85 V86 L127 E128 Q133 L134 M157	T83-F131 HydrophobicContact CG2-CD2 4.14Å; T83-F131 HydrophobicContact CG2-CE2 3.88Å; T83-F131 HydrophobicContact CG2-CZ 4.35Å; T83-F131 WeakPolarHBondContact OG1-CD2 3.22Å; T83-F131 WeakPolarHBondContact OG1-CE2 3.38Å; K85-F131 HydrophobicContact CB-CE2 3.81Å; K85-F131 HydrophobicContact CB-CZ 4.05Å; K85-F131 HydrophobicContact CD-CE2 4.2Å; K85-F131 HydrophobicContact CD-CZ 4.13Å; K85-F131 HydrophobicContact CG-CE2 4.42Å; V86-F131 HydrophobicContact CG2-CD2 3.77Å; V86-F131 HydrophobicContact CG2-CE2 4.14Å; L127-F131 WeakPolarHBondContact O-CA 3.43Å; L127-F131 PolarHBondContact O-N 3.07Å; E128-F131 WeakPolarHBondContact O-CB 3.14Å; E128-F131 PolarHBondContact O-N 3.35Å; F131-Q133 VanDerWaalsContact C-N 3.32Å; F131-Q133 PolarHBondContact O-N 3.07Å; F131-L134 PolarHBondContact O-N 3.35Å; F131-M157 HydrophobicContact CD2-CE 3.92Å; F131-M157 HydrophobicContact CE2-CE 4.34Å
132	D	98.8	Very high	98.8	Very high	110 Å²	110	30.1 Å²	30.1	59%	0.588	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-28.8	-177.3	-58.8	-40.8	0	0	0	112.5	L130 H135	L130-D132 VanDerWaalsContact C-N 3.35Å; L130-D132 PolarHBondContact O-N 3.02Å; D132-H135 PolarHBondContact O-ND1 3.46Å
133	Q	98.9	Very high	98.8	Very high	17 Å²	17	28.9 Å²	28.9	8%	0.079	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-22.4	178	-66.8	76	39.1	0	0	112.1	L130 F131 H135 A138 D212 A213 R236	L130-Q133 CarbonylContact O-C 3.54Å; L130-Q133 PolarHBondContact O-N 3.48Å; F131-Q133 VanDerWaalsContact C-N 3.32Å; F131-Q133 PolarHBondContact O-N 3.07Å; Q133-H135 VanDerWaalsContact C-N 3.25Å; Q133-H135 PolarHBondContact O-N 2.92Å; Q133-H135 PolarHBondContact O-ND1 3.47Å; Q133-A138 WeakPolarHBondContact O-CB 3.43Å; Q133-D212 WeakPolarHBondContact CB-O 3.33Å; Q133-D212 WeakPolarHBondContact CG-O 3.48Å; Q133-A213 HydrophobicContact CB-CB 3.88Å; Q133-R236 HydrophobicContact CG-CB 3.63Å
134	L	98.9	Very high	98.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	-92	50.5	174.6	-63	169.2	0	0	0	111.2	K85 L127 L130 F131 A140 F154 M157 V158 A213	K85-L134 PolarHBondContact NZ-O 3.36Å; L127-L134 HydrophobicContact CD2-CD1 4.25Å; L130-L134 HydrophobicContact CB-CD1 3.68Å; L130-L134 HydrophobicContact CB-CG 3.99Å; L130-L134 WeakPolarHBondContact O-CB 3.39Å; L130-L134 WeakPolarHBondContact O-CG 3.48Å; L130-L134 PolarHBondContact O-N 3.21Å; F131-L134 PolarHBondContact O-N 3.35Å; L134-A140 HydrophobicContact CD2-CB 3.79Å; L134-F154 HydrophobicContact CD1-CD1 3.51Å; L134-F154 HydrophobicContact CD1-CE1 3.65Å; L134-F154 HydrophobicContact CD1-CG 4.3Å; L134-F154 HydrophobicContact CD2-CB 4.19Å; L134-F154 HydrophobicContact CD2-CD1 4.06Å; L134-F154 HydrophobicContact CD2-CD2 4.47Å; L134-F154 HydrophobicContact CD2-CG 4Å; L134-F154 HydrophobicContact CG-CD1 4.47Å; L134-M157 HydrophobicContact CB-CB 3.76Å; L134-M157 HydrophobicContact CB-CE 4.1Å; L134-M157 HydrophobicContact CB-CG 4.42Å; L134-M157 HydrophobicContact CD1-CB 4.28Å; L134-M157 HydrophobicContact CD1-CE 4.29Å; L134-M157 HydrophobicContact CD1-CG 4.22Å; L134-M157 HydrophobicContact CG-CB 4.49Å; L134-V158 HydrophobicContact CB-CG1 4.26Å; L134-V158 HydrophobicContact CD2-CG1 3.76Å; L134-A213 HydrophobicContact CD2-CB 3.78Å; L134-A213 HydrophobicContact CG-CB 4.18Å
135	H	98.8	Very high	98.8	Very high	85 Å²	85	29.9 Å²	29.9	39%	0.394	16%	0.159	S	C	.	.			trans	-79.9	163.8	173.2	55.9	-93.3	0	0	0	111.6	D132 Q133 G137 A138 V158 D212	D132-H135 PolarHBondContact O-ND1 3.46Å; Q133-H135 VanDerWaalsContact C-N 3.25Å; Q133-H135 PolarHBondContact O-N 2.92Å; Q133-H135 PolarHBondContact O-ND1 3.47Å; H135-G137 PolarHBondContact O-N 3.26Å; H135-A138 WeakPolarHBondContact O-CB 3.36Å; H135-A138 PolarHBondContact O-N 3.43Å; H135-V158 WeakPolarHBondContact O-CA 3.46Å; H135-D212 IonicContact CE1-OD1 3.83Å
136	E	98.5	Very high	98.8	Very high	106 Å²	106	27.1 Å²	27.1	50%	0.495	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	128.8	175.5	179.9	68	-133.8	0	0	110.4	A138 V158 G159 C160 T161	E136-A138 VanDerWaalsContact C-N 3.29Å; E136-A138 PolarHBondContact O-N 2.96Å; E136-V158 WeakPolarHBondContact CA-O 3.41Å; E136-G159 VanDerWaalsContact OE2-CA 3.31Å; E136-G159 WeakPolarHBondContact OE2-CA 3.23Å; E136-C160 PolarHBondContact OE1-N 2.8Å; E136-T161 WeakPolarHBondContact CG-OG1 3.32Å; E136-T161 WeakPolarHBondContact OE1-CB 3.29Å; E136-T161 PolarHBondContact OE1-N 3.4Å; E136-T161 PolarHBondContact OE1-OG1 3.16Å
137	G	98.6	Very high	98.8	Very high	36 Å²	36	27.3 Å²	27.3	37%	0.371	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	-3.1	-179	0	0	0	0	0	115	H135 V158 T161	H135-G137 PolarHBondContact O-N 3.26Å; G137-V158 PolarHBondContact N-O 3.46Å; G137-T161 WeakPolarHBondContact CA-OG1 3.24Å; G137-T161 PolarHBondContact N-OG1 3.33Å
138	A	98.9	Very high	98.8	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.008	15%	0.152	C	C	.	.			trans	-66.1	156.4	177.5	0	0	0	0	0	112.1	Q133 H135 E136 V158 G162 K163 D212	Q133-A138 WeakPolarHBondContact O-CB 3.43Å; H135-A138 WeakPolarHBondContact O-CB 3.36Å; H135-A138 PolarHBondContact O-N 3.43Å; E136-A138 VanDerWaalsContact C-N 3.29Å; E136-A138 PolarHBondContact O-N 2.96Å; A138-V158 HydrophobicContact CB-CB 4.35Å; A138-V158 HydrophobicContact CB-CG1 3.87Å; A138-G162 VanDerWaalsContact O-CA 3.28Å; A138-G162 WeakPolarHBondContact O-CA 3.14Å; A138-K163 PolarHBondContact O-N 3.22Å; A138-K163 VanDerWaalsContact O-N 3.11Å; A138-D212 HydrophobicContact CB-CB 4.06Å
139	K	98.9	Very high	98.8	Very high	47 Å²	47	26.5 Å²	26.5	20%	0.204	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	126.1	170.8	-161.2	-176.4	-69	-162.6	0	110.6	K163 I165 E208 Y211 D212 A213	K139-K163 VanDerWaalsContact CA-O 3.3Å; K139-K163 WeakPolarHBondContact CA-O 3.31Å; K139-I165 HydrophobicContact CG-CD1 4.4Å; K139-E208 HydrophobicContact CD-CB 4.33Å; K139-E208 WeakPolarHBondContact CD-O 3.31Å; K139-E208 WeakPolarHBondContact CE-O 3.27Å; K139-E208 PolarHBondContact NZ-O 2.93Å; K139-E208 IonicContact NZ-OE2 3.84Å; K139-E208 PolarHBondContact NZ-OE2 3.09Å; K139-Y211 HydrophobicContact CB-CD1 4.38Å; K139-Y211 HydrophobicContact CD-CD1 3.93Å; K139-Y211 HydrophobicContact CD-CE1 3.84Å; K139-Y211 HydrophobicContact CG-CD1 3.79Å; K139-Y211 HydrophobicContact CG-CE1 4Å; K139-D212 PolarHBondContact N-OD2 2.95Å; K139-D212 PolarHBondContact O-N 3Å; K139-A213 PolarHBondContact O-N 3.44Å
140	A	98.9	Very high	98.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	148.2	-178.9	0	0	0	0	0	113	L134 F154 K163 V164 I165 A213	L134-A140 HydrophobicContact CD2-CB 3.79Å; A140-F154 HydrophobicContact CB-CD2 4.17Å; A140-K163 PolarHBondContact N-O 3Å; A140-V164 HydrophobicContact CB-CG1 4.21Å; A140-V164 HydrophobicContact CB-CG2 4.18Å; A140-V164 WeakPolarHBondContact O-CA 3.4Å; A140-I165 PolarHBondContact O-N 3.08Å; A140-A213 CarbonylContact C-O 3.5Å; A140-A213 VanDerWaalsContact CA-O 3.23Å; A140-A213 WeakPolarHBondContact CA-O 3.39Å; A140-A213 HydrophobicContact CB-CB 4.06Å
141	L	98.9	Very high	98.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	129.4	171.8	-179.3	65.7	0	0	0	109.9	V143 I165 I167 Y211 A213 I214 H215 L227	L141-V143 HydrophobicContact CD2-CG2 3.84Å; L141-V143 HydrophobicContact CG-CG2 3.9Å; L141-I165 CarbonylContact C-O 3.56Å; L141-I165 WeakPolarHBondContact CA-O 3.09Å; L141-I165 HydrophobicContact CD1-CB 3.93Å; L141-I165 HydrophobicContact CD1-CG2 3.76Å; L141-I167 HydrophobicContact CD1-CG2 4.05Å; L141-Y211 HydrophobicContact CB-CD1 3.79Å; L141-Y211 HydrophobicContact CB-CD2 4.06Å; L141-Y211 HydrophobicContact CB-CE1 3.83Å; L141-Y211 HydrophobicContact CB-CE2 4.1Å; L141-Y211 HydrophobicContact CB-CG 3.91Å; L141-Y211 HydrophobicContact CD2-CD2 4.23Å; L141-Y211 HydrophobicContact CD2-CE2 3.88Å; L141-Y211 HydrophobicContact CG-CE2 4.44Å; L141-A213 PolarHBondContact N-O 3.35Å; L141-I214 HydrophobicContact CB-CG1 4.15Å; L141-I214 HydrophobicContact CB-CG2 4.26Å; L141-I214 HydrophobicContact CD2-CG2 4.17Å; L141-I214 HydrophobicContact CG-CG2 4.41Å; L141-I214 WeakPolarHBondContact O-CA 3.28Å; L141-H215 PolarHBondContact O-N 3.06Å; L141-L227 HydrophobicContact CD2-CD2 4.08Å
142	D	98.9	Very high	98.8	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.016	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	100.6	174.7	-174.9	28.3	0	0	0	109.6	T151 F154 I165 G166 I167 H215	D142-T151 PolarHBondContact OD2-N 3.2Å; D142-T151 PolarHBondContact OD2-OG1 3.18Å; D142-F154 HydrophobicContact CB-CD2 4.27Å; D142-F154 HydrophobicContact CB-CE2 4.19Å; D142-I165 PolarHBondContact N-O 3.11Å; D142-G166 WeakPolarHBondContact O-CA 3.4Å; D142-I167 PolarHBondContact O-N 2.98Å; D142-H215 IonicContact OD1-CE1 2.76Å; D142-H215 IonicContact OD1-CG 3.73Å; D142-H215 IonicContact OD1-ND1 2.64Å; D142-H215 PolarHBondContact OD1-ND1 3.43Å
143	V	98.9	Very high	98.8	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.006	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	127.2	-178.2	176.9	0	0	0	0	110.5	L141 I167 I214 H215 V216 G217 L227 L274	L141-V143 HydrophobicContact CD2-CG2 3.84Å; L141-V143 HydrophobicContact CG-CG2 3.9Å; V143-I167 HydrophobicContact CB-CG2 4.22Å; V143-I167 HydrophobicContact CG1-CG2 4.39Å; V143-I167 HydrophobicContact CG2-CG2 3.95Å; V143-I214 HydrophobicContact CG2-CG2 4.43Å; V143-H215 PolarHBondContact N-O 2.78Å; V143-V216 HydrophobicContact CB-CB 4.31Å; V143-V216 HydrophobicContact CB-CG1 4.13Å; V143-V216 HydrophobicContact CB-CG2 4.09Å; V143-V216 HydrophobicContact CG1-CG1 3.98Å; V143-V216 HydrophobicContact CG2-CG2 4.39Å; V143-G217 PolarHBondContact O-N 3.29Å; V143-L227 HydrophobicContact CG2-CD2 4.02Å; V143-L274 HydrophobicContact CG1-CD1 4.16Å
144	G	98.6	Very high	98.8	Very high	27 Å²	27	16.4 Å²	16.4	28%	0.278	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	46.6	-170.4	0	0	0	0	0	110.8	G146 I167	G144-G146 PolarHBondContact O-N 3.41Å; G144-G146 VanDerWaalsContact O-N 3.13Å; G144-I167 WeakPolarHBondContact CA-O 3.49Å; G144-I167 PolarHBondContact N-O 3.17Å
145	S	98.7	Very high	98.8	Very high	7 Å²	7	16.4 Å²	16.4	5%	0.049	10%	0.097	C	C	.	.			trans	-58.9	-24.7	-173.3	59.1	0	0	0	0	114	S147 G148 I167	S145-S147 PolarHBondContact O-N 3.29Å; S145-G148 PolarHBondContact O-N 3.45Å; S145-I167 PolarHBondContact N-O 2.85Å; S145-I167 PolarHBondContact OG-O 3.4Å
146	G	98.6	Very high	98.8	Very high	8 Å²	8	14.5 Å²	14.5	8%	0.082	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	-107.9	170	0	0	0	0	0	113.1	G144 G148 D168 S177	G144-G146 PolarHBondContact O-N 3.41Å; G144-G146 VanDerWaalsContact O-N 3.13Å; G146-G148 VanDerWaalsContact C-N 3.29Å; G146-G148 PolarHBondContact O-N 2.85Å; G146-D168 WeakPolarHBondContact CA-OD2 3.29Å; G146-D168 PolarHBondContact N-OD2 3.14Å; G146-S177 WeakPolarHBondContact O-CB 3.28Å
147	S	98.8	Very high	98.9	Very high	7 Å²	7	9.5 Å²	9.5	5%	0.049	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-20.3	179	68	0	0	0	0	114.5	Y98 S145 I149 S177 N180	Y98-S147 WeakPolarHBondContact CD1-O 3.28Å; S145-S147 PolarHBondContact O-N 3.29Å; S147-I149 VanDerWaalsContact OG-CG2 3.31Å; S147-I149 WeakPolarHBondContact OG-CG2 3.38Å; S147-I149 PolarHBondContact OG-N 2.79Å; S147-S177 VanDerWaalsContact C-CB 3.45Å; S147-S177 WeakPolarHBondContact O-CA 3.44Å; S147-S177 VanDerWaalsContact O-CB 3.27Å; S147-S177 WeakPolarHBondContact O-CB 3.47Å; S147-N180 PolarHBondContact O-ND2 2.85Å; S147-N180 VanDerWaalsContact O-ND2 3.08Å
148	G	98.9	Very high	98.9	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.046	C	C	.	.	S	Bend	trans	86.7	-0.6	-174	0	0	0	0	0	115.3	S145 G146 T151 A152	S145-G148 PolarHBondContact O-N 3.45Å; G146-G148 VanDerWaalsContact C-N 3.29Å; G146-G148 PolarHBondContact O-N 2.85Å; G148-T151 WeakPolarHBondContact O-CB 3.35Å; G148-T151 PolarHBondContact O-N 3.13Å; G148-A152 PolarHBondContact O-N 3.02Å
149	I	98.9	Very high	98.9	Very high	5 Å²	5	8.2 Å²	8.2	3%	0.026	5%	0.05	C	C	.	.	H	α-helix	trans	-65.2	-44.5	-174.5	-168	172.9	0	0	0	113.3	T93 R95 Y98 I117 H123 S147 T151 A152 C153	T93-I149 HydrophobicContact CG2-CD1 4.48Å; T93-I149 HydrophobicContact CG2-CG1 3.76Å; R95-I149 HydrophobicContact CB-CD1 4.37Å; R95-I149 HydrophobicContact CG-CD1 3.35Å; Y98-I149 HydrophobicContact CD1-CB 3.63Å; Y98-I149 HydrophobicContact CD1-CG1 4.25Å; Y98-I149 HydrophobicContact CD2-CB 4Å; Y98-I149 HydrophobicContact CD2-CD1 3.85Å; Y98-I149 HydrophobicContact CD2-CG1 3.69Å; Y98-I149 HydrophobicContact CE1-CB 4.09Å; Y98-I149 HydrophobicContact CE2-CB 4.42Å; Y98-I149 HydrophobicContact CE2-CG1 4.02Å; Y98-I149 HydrophobicContact CG-CB 3.58Å; Y98-I149 HydrophobicContact CG-CD1 4.06Å; Y98-I149 HydrophobicContact CG-CG1 3.82Å; I117-I149 HydrophobicContact CD1-CB 4.34Å; I117-I149 HydrophobicContact CD1-CD1 4.02Å; I117-I149 HydrophobicContact CD1-CG2 3.85Å; I117-I149 HydrophobicContact CG1-CG2 3.97Å; H123-I149 WeakPolarHBondContact CE1-CG2 3.44Å; S147-I149 VanDerWaalsContact OG-CG2 3.31Å; S147-I149 WeakPolarHBondContact OG-CG2 3.38Å; S147-I149 PolarHBondContact OG-N 2.79Å; I149-T151 VanDerWaalsContact C-N 3.33Å; I149-A152 PolarHBondContact O-N 3.28Å; I149-C153 PolarHBondContact O-N 3.23Å; I149-C153 PolarHBondContact O-SG 3.24Å; I149-C153 VanDerWaalsContact O-SG 3.37Å
150	L	98.9	Very high	98.8	Very high	7 Å²	7	11 Å²	11	4%	0.037	7%	0.074	C	C	.	.	H	α-helix	trans	-72.8	-34.2	-178	-170.8	63.7	0	0	0	110.4	H123 A126 L127 A152 C153 F154 H215	H123-L150 HydrophobicContact CB-CD1 4.05Å; A126-L150 HydrophobicContact CB-CD1 4.46Å; A126-L150 HydrophobicContact CB-CD2 4.1Å; L127-L150 HydrophobicContact CD1-CD1 4.46Å; L127-L150 HydrophobicContact CD2-CD1 4.34Å; L127-L150 HydrophobicContact CG-CD1 4.07Å; L150-A152 VanDerWaalsContact C-N 3.32Å; L150-A152 PolarHBondContact O-N 3.35Å; L150-C153 HydrophobicContact CD1-CB 4.36Å; L150-C153 WeakPolarHBondContact O-CB 3.32Å; L150-C153 PolarHBondContact O-N 3.43Å; L150-F154 HydrophobicContact CD1-CD1 4.32Å; L150-F154 HydrophobicContact CD1-CE1 3.81Å; L150-F154 HydrophobicContact CD1-CZ 4.23Å; L150-F154 HydrophobicContact CD2-CE1 4.36Å; L150-F154 HydrophobicContact CD2-CZ 3.94Å; L150-F154 HydrophobicContact CG-CD1 4.36Å; L150-F154 HydrophobicContact CG-CE1 3.85Å; L150-F154 HydrophobicContact CG-CE2 4.29Å; L150-F154 HydrophobicContact CG-CZ 3.81Å; L150-F154 WeakPolarHBondContact O-CG 3.27Å; L150-F154 PolarHBondContact O-N 3.12Å; L150-H215 WeakPolarHBondContact CD2-CE1 3.42Å; L150-H215 VanDerWaalsContact CD2-ND1 3.29Å; L150-H215 WeakPolarHBondContact CD2-ND1 3.35Å
151	T	98.9	Very high	98.8	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-57	-44.1	169.2	-36.3	0	0	0	0	111.5	D142 G148 I149 F154 A155 V164 V194 L196	D142-T151 PolarHBondContact OD2-N 3.2Å; D142-T151 PolarHBondContact OD2-OG1 3.18Å; G148-T151 WeakPolarHBondContact O-CB 3.35Å; G148-T151 PolarHBondContact O-N 3.13Å; I149-T151 VanDerWaalsContact C-N 3.33Å; T151-F154 PolarHBondContact O-N 3.42Å; T151-A155 PolarHBondContact O-N 2.91Å; T151-V164 HydrophobicContact CG2-CB 4.37Å; T151-V164 HydrophobicContact CG2-CG1 3.58Å; T151-V194 HydrophobicContact CG2-CG1 4.16Å; T151-L196 HydrophobicContact CG2-CD2 4.19Å
152	A	98.9	Very high	98.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-67	-41.5	175.5	0	0	0	0	0	112.5	T93 Y98 G148 I149 L150 F154 A155 R156 L188	T93-A152 HydrophobicContact CG2-CB 4.25Å; Y98-A152 WeakPolarHBondContact OH-CB 3.24Å; G148-A152 PolarHBondContact O-N 3.02Å; I149-A152 PolarHBondContact O-N 3.28Å; L150-A152 VanDerWaalsContact C-N 3.32Å; L150-A152 PolarHBondContact O-N 3.35Å; A152-F154 PolarHBondContact O-N 3.16Å; A152-A155 PolarHBondContact O-N 2.73Å; A152-R156 PolarHBondContact O-N 3.01Å; A152-L188 HydrophobicContact CB-CD1 4.21Å
153	C	98.9	Very high	98.8	Very high	4 Å²	4	18.6 Å²	18.6	3%	0.027	12%	0.117	C	C	.	.	H	α-helix	trans	-58.2	-46.5	172.5	-69.5	0	0	0	0	111.5	V89 L127 I149 L150 A155 R156 M157	V89-C153 HydrophobicContact CG1-CB 3.76Å; V89-C153 VanDerWaalsContact CG1-O 3.31Å; V89-C153 WeakPolarHBondContact CG1-O 3.48Å; L127-C153 HydrophobicContact CD1-CB 4.04Å; L127-C153 HydrophobicContact CD2-CB 3.9Å; I149-C153 PolarHBondContact O-N 3.23Å; I149-C153 PolarHBondContact O-SG 3.24Å; I149-C153 VanDerWaalsContact O-SG 3.37Å; L150-C153 HydrophobicContact CD1-CB 4.36Å; L150-C153 WeakPolarHBondContact O-CB 3.32Å; L150-C153 PolarHBondContact O-N 3.43Å; C153-A155 VanDerWaalsContact C-N 3.31Å; C153-A155 PolarHBondContact O-N 3.22Å; C153-R156 PolarHBondContact O-N 3.28Å; C153-M157 WeakPolarHBondContact O-CG 3.41Å; C153-M157 PolarHBondContact O-N 3.44Å
154	F	98.9	Very high	98.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-60.1	-42.2	176.1	-71.3	-7	0	0	0	111.4	L127 L130 L134 A140 D142 L150 T151 A152 R156 M157 V158 V164 H215	L127-F154 HydrophobicContact CD2-CD1 3.61Å; L127-F154 HydrophobicContact CD2-CE1 3.73Å; L127-F154 HydrophobicContact CG-CE1 4.43Å; L130-F154 HydrophobicContact CD1-CE1 4.31Å; L130-F154 HydrophobicContact CD1-CE2 4.47Å; L130-F154 HydrophobicContact CD1-CZ 3.75Å; L134-F154 HydrophobicContact CD1-CD1 3.51Å; L134-F154 HydrophobicContact CD1-CE1 3.65Å; L134-F154 HydrophobicContact CD1-CG 4.3Å; L134-F154 HydrophobicContact CD2-CB 4.19Å; L134-F154 HydrophobicContact CD2-CD1 4.06Å; L134-F154 HydrophobicContact CD2-CD2 4.47Å; L134-F154 HydrophobicContact CD2-CG 4Å; L134-F154 HydrophobicContact CG-CD1 4.47Å; A140-F154 HydrophobicContact CB-CD2 4.17Å; D142-F154 HydrophobicContact CB-CD2 4.27Å; D142-F154 HydrophobicContact CB-CE2 4.19Å; L150-F154 HydrophobicContact CD1-CD1 4.32Å; L150-F154 HydrophobicContact CD1-CE1 3.81Å; L150-F154 HydrophobicContact CD1-CZ 4.23Å; L150-F154 HydrophobicContact CD2-CE1 4.36Å; L150-F154 HydrophobicContact CD2-CZ 3.94Å; L150-F154 HydrophobicContact CG-CD1 4.36Å; L150-F154 HydrophobicContact CG-CE1 3.85Å; L150-F154 HydrophobicContact CG-CE2 4.29Å; L150-F154 HydrophobicContact CG-CZ 3.81Å; L150-F154 WeakPolarHBondContact O-CG 3.27Å; L150-F154 PolarHBondContact O-N 3.12Å; T151-F154 PolarHBondContact O-N 3.42Å; A152-F154 PolarHBondContact O-N 3.16Å; F154-R156 VanDerWaalsContact C-N 3.27Å; F154-R156 PolarHBondContact O-N 3.08Å; F154-M157 WeakPolarHBondContact O-CA 3.37Å; F154-M157 WeakPolarHBondContact O-CB 3.33Å; F154-M157 PolarHBondContact O-N 2.98Å; F154-V158 WeakPolarHBondContact O-CG2 3.48Å; F154-V158 PolarHBondContact O-N 2.84Å; F154-V164 HydrophobicContact CB-CB 4.46Å; F154-V164 HydrophobicContact CB-CG1 3.83Å; F154-V164 HydrophobicContact CB-CG2 3.83Å; F154-V164 HydrophobicContact CD2-CG1 4.21Å; F154-H215 HydrophobicContact CE2-CB 3.65Å; F154-H215 HydrophobicContact CZ-CB 3.65Å
155	A	98.9	Very high	98.8	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.5	-39.2	178.2	0	0	0	0	0	111.7	T151 A152 C153 G159 V164 L188 R193 V194	T151-A155 PolarHBondContact O-N 2.91Å; A152-A155 PolarHBondContact O-N 2.73Å; C153-A155 VanDerWaalsContact C-N 3.31Å; C153-A155 PolarHBondContact O-N 3.22Å; A155-G159 PolarHBondContact O-N 3.28Å; A155-V164 HydrophobicContact CB-CG2 4.08Å; A155-L188 HydrophobicContact CB-CD2 3.97Å; A155-R193 PolarHBondContact O-NH2 2.81Å; A155-V194 HydrophobicContact CB-CG2 3.42Å; A155-V194 VanDerWaalsContact CB-CG2 3.42Å
156	R	98.9	Very high	98.8	Very high	46 Å²	46	17 Å²	17	17%	0.174	10%	0.101	C	C	.	.	H	α-helix	trans	-68	-35.3	172.6	-67.2	179.6	172.9	95.8	1.8	112.6	V89 A92 T93 A152 C153 F154 D184	V89-R156 HydrophobicContact CB-CB 4.48Å; V89-R156 HydrophobicContact CG1-CB 4.05Å; V89-R156 HydrophobicContact CG2-CB 3.91Å; A92-R156 PolarHBondContact O-NE 3.36Å; A92-R156 PolarHBondContact O-NH2 2.86Å; A92-R156 VanDerWaalsContact O-NH2 3.11Å; T93-R156 VanDerWaalsContact CG2-NH1 3.33Å; T93-R156 WeakPolarHBondContact OG1-CD 3.29Å; T93-R156 PolarHBondContact OG1-NH1 2.9Å; A152-R156 PolarHBondContact O-N 3.01Å; C153-R156 PolarHBondContact O-N 3.28Å; F154-R156 VanDerWaalsContact C-N 3.27Å; F154-R156 PolarHBondContact O-N 3.08Å; R156-D184 IonicContact CZ-OD1 2.83Å; R156-D184 IonicContact CZ-OD2 3Å; R156-D184 VanDerWaalsContact CZ-OD2 3.25Å; R156-D184 IonicContact NH1-OD2 3.82Å; R156-D184 PolarHBondContact NH1-OD2 3.48Å; R156-D184 IonicContact NH2-OD1 3.6Å; R156-D184 PolarHBondContact NH2-OD1 2.64Å; R156-D184 IonicContact NH2-OD2 3.89Å; R156-D184 PolarHBondContact NH2-OD2 2.98Å
157	M	98.9	Very high	98.8	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-66.8	-46.5	175.6	-68.8	-74.1	-74.7	0	0	112.9	K85 V86 V89 L127 F131 L134 C153 F154 G159	K85-M157 HydrophobicContact CD-CE 4.2Å; K85-M157 HydrophobicContact CD-SD 4.14Å; K85-M157 WeakPolarHBondContact CE-O 3.49Å; K85-M157 HydrophobicContact CG-CE 4.45Å; K85-M157 HydrophobicContact CG-SD 3.92Å; K85-M157 PolarHBondContact NZ-O 3.43Å; V86-M157 HydrophobicContact CG2-CE 4.03Å; V86-M157 HydrophobicContact CG2-SD 4.31Å; V89-M157 HydrophobicContact CB-CG 4.43Å; V89-M157 HydrophobicContact CB-SD 4.1Å; V89-M157 HydrophobicContact CG1-CG 4.06Å; V89-M157 HydrophobicContact CG1-SD 4.33Å; V89-M157 HydrophobicContact CG2-CG 3.99Å; V89-M157 HydrophobicContact CG2-SD 3.63Å; L127-M157 HydrophobicContact CD2-CG 3.73Å; L127-M157 HydrophobicContact CD2-SD 4.4Å; F131-M157 HydrophobicContact CD2-CE 3.92Å; F131-M157 HydrophobicContact CE2-CE 4.34Å; L134-M157 HydrophobicContact CB-CB 3.76Å; L134-M157 HydrophobicContact CB-CE 4.1Å; L134-M157 HydrophobicContact CB-CG 4.42Å; L134-M157 HydrophobicContact CD1-CB 4.28Å; L134-M157 HydrophobicContact CD1-CE 4.29Å; L134-M157 HydrophobicContact CD1-CG 4.22Å; L134-M157 HydrophobicContact CG-CB 4.49Å; C153-M157 WeakPolarHBondContact O-CG 3.41Å; C153-M157 PolarHBondContact O-N 3.44Å; F154-M157 WeakPolarHBondContact O-CA 3.37Å; F154-M157 WeakPolarHBondContact O-CB 3.33Å; F154-M157 PolarHBondContact O-N 2.98Å; M157-G159 PolarHBondContact O-N 3Å
158	V	98.8	Very high	98.8	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.099	C	C	.	.	S	Bend	trans	-80	-2.2	-177.6	-53.6	0	0	0	0	113.3	L134 H135 E136 G137 A138 F154 G162 V164	L134-V158 HydrophobicContact CB-CG1 4.26Å; L134-V158 HydrophobicContact CD2-CG1 3.76Å; H135-V158 WeakPolarHBondContact O-CA 3.46Å; E136-V158 WeakPolarHBondContact CA-O 3.41Å; G137-V158 PolarHBondContact N-O 3.46Å; A138-V158 HydrophobicContact CB-CB 4.35Å; A138-V158 HydrophobicContact CB-CG1 3.87Å; F154-V158 WeakPolarHBondContact O-CG2 3.48Å; F154-V158 PolarHBondContact O-N 2.84Å; V158-G162 WeakPolarHBondContact O-CA 3.36Å; V158-G162 PolarHBondContact O-N 2.95Å; V158-V164 HydrophobicContact CG2-CG2 3.75Å
159	G	98.4	Very high	98.8	Very high	9 Å²	9	18.4 Å²	18.4	9%	0.093	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.2	-160.4	172	0	0	0	0	0	115	E136 A155 M157 T161 R193	E136-G159 VanDerWaalsContact OE2-CA 3.31Å; E136-G159 WeakPolarHBondContact OE2-CA 3.23Å; A155-G159 PolarHBondContact O-N 3.28Å; M157-G159 PolarHBondContact O-N 3Å; G159-T161 VanDerWaalsContact C-N 3.32Å; G159-R193 PolarHBondContact O-NE 3.39Å; G159-R193 PolarHBondContact O-NH2 3.04Å
160	C	98	Very high	98.8	Very high	106 Å²	106	18.2 Å²	18.2	72%	0.716	11%	0.105	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-24.9	-171.4	-67.6	0	0	0	0	112.9	E136	E136-C160 PolarHBondContact OE1-N 2.8Å
161	T	98.5	Very high	98.7	Very high	103 Å²	103	23.1 Å²	23.1	63%	0.632	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97	-11.3	-177.7	62.3	0	0	0	0	113.3	E136 G137 G159	E136-T161 WeakPolarHBondContact CG-OG1 3.32Å; E136-T161 WeakPolarHBondContact OE1-CB 3.29Å; E136-T161 PolarHBondContact OE1-N 3.4Å; E136-T161 PolarHBondContact OE1-OG1 3.16Å; G137-T161 WeakPolarHBondContact CA-OG1 3.24Å; G137-T161 PolarHBondContact N-OG1 3.33Å; G159-T161 VanDerWaalsContact C-N 3.32Å
162	G	98.8	Very high	98.7	Very high	5 Å²	5	26.4 Å²	26.4	5%	0.052	14%	0.141	C	C	.	.			trans	-84.6	169.8	177.9	0	0	0	0	0	113.6	A138 V158	A138-G162 VanDerWaalsContact O-CA 3.28Å; A138-G162 WeakPolarHBondContact O-CA 3.14Å; V158-G162 WeakPolarHBondContact O-CA 3.36Å; V158-G162 PolarHBondContact O-N 2.95Å
163	K	98.9	Very high	98.7	Very high	55 Å²	55	26.5 Å²	26.5	24%	0.239	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	137.4	-179.8	-170.5	175.1	-177.8	-179.7	0	111.3	A138 K139 A140 I165 E208	A138-K163 PolarHBondContact O-N 3.22Å; A138-K163 VanDerWaalsContact O-N 3.11Å; K139-K163 VanDerWaalsContact CA-O 3.3Å; K139-K163 WeakPolarHBondContact CA-O 3.31Å; A140-K163 PolarHBondContact N-O 3Å; K163-I165 HydrophobicContact CD-CD1 4.35Å; K163-I165 HydrophobicContact CG-CD1 4.06Å; K163-E208 IonicContact NZ-OE1 2.91Å; K163-E208 PolarHBondContact NZ-OE1 3.06Å; K163-E208 IonicContact NZ-OE2 3.81Å
164	V	98.9	Very high	98.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	129.4	-178.7	-171.8	0	0	0	0	110.4	A140 T151 F154 A155 V158 R193 V194 Q195	A140-V164 HydrophobicContact CB-CG1 4.21Å; A140-V164 HydrophobicContact CB-CG2 4.18Å; A140-V164 WeakPolarHBondContact O-CA 3.4Å; T151-V164 HydrophobicContact CG2-CB 4.37Å; T151-V164 HydrophobicContact CG2-CG1 3.58Å; F154-V164 HydrophobicContact CB-CB 4.46Å; F154-V164 HydrophobicContact CB-CG1 3.83Å; F154-V164 HydrophobicContact CB-CG2 3.83Å; F154-V164 HydrophobicContact CD2-CG1 4.21Å; A155-V164 HydrophobicContact CB-CG2 4.08Å; V158-V164 HydrophobicContact CG2-CG2 3.75Å; V164-R193 PolarHBondContact N-O 3.14Å; V164-V194 WeakPolarHBondContact O-CA 3.36Å; V164-Q195 PolarHBondContact O-N 2.98Å
165	I	98.9	Very high	98.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	123.1	174.9	-65.1	64.5	0	0	0	107.1	K139 A140 L141 D142 K163 Q195 V197 Y205 E208 Y211	K139-I165 HydrophobicContact CG-CD1 4.4Å; A140-I165 PolarHBondContact O-N 3.08Å; L141-I165 CarbonylContact C-O 3.56Å; L141-I165 WeakPolarHBondContact CA-O 3.09Å; L141-I165 HydrophobicContact CD1-CB 3.93Å; L141-I165 HydrophobicContact CD1-CG2 3.76Å; D142-I165 PolarHBondContact N-O 3.11Å; K163-I165 HydrophobicContact CD-CD1 4.35Å; K163-I165 HydrophobicContact CG-CD1 4.06Å; I165-Q195 CarbonylContact C-O 3.53Å; I165-Q195 VanDerWaalsContact CA-O 3.31Å; I165-Q195 WeakPolarHBondContact CA-O 3.25Å; I165-Q195 HydrophobicContact CG1-CB 4.49Å; I165-V197 HydrophobicContact CG2-CG2 4.11Å; I165-Y205 HydrophobicContact CB-CD1 4.5Å; I165-Y205 HydrophobicContact CG1-CD1 4.14Å; I165-Y205 HydrophobicContact CG1-CE1 4.45Å; I165-Y205 HydrophobicContact CG2-CD1 3.73Å; I165-Y205 HydrophobicContact CG2-CE1 4.29Å; I165-Y205 HydrophobicContact CG2-CG 4.16Å; I165-E208 HydrophobicContact CD1-CB 3.83Å; I165-E208 HydrophobicContact CD1-CG 3.98Å; I165-E208 HydrophobicContact CG1-CB 3.91Å; I165-E208 HydrophobicContact CG1-CG 3.92Å; I165-Y211 HydrophobicContact CD1-CE1 4.15Å
166	G	98.9	Very high	98.7	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	132.5	165.1	0	0	0	0	0	109.8	D142 Q195 L196 V197	D142-G166 WeakPolarHBondContact O-CA 3.4Å; G166-Q195 PolarHBondContact N-O 3.49Å; G166-L196 CarbonylContact O-C 3.44Å; G166-L196 WeakPolarHBondContact O-CA 3.4Å; G166-V197 PolarHBondContact O-N 3.36Å
167	I	98.9	Very high	98.7	Very high	4 Å²	4	29.9 Å²	29.9	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	134	178.2	-176	164.2	0	0	0	110.3	L141 D142 V143 G144 S145 V197 Y205	L141-I167 HydrophobicContact CD1-CG2 4.05Å; D142-I167 PolarHBondContact O-N 2.98Å; V143-I167 HydrophobicContact CB-CG2 4.22Å; V143-I167 HydrophobicContact CG1-CG2 4.39Å; V143-I167 HydrophobicContact CG2-CG2 3.95Å; G144-I167 WeakPolarHBondContact CA-O 3.49Å; G144-I167 PolarHBondContact N-O 3.17Å; S145-I167 PolarHBondContact N-O 2.85Å; S145-I167 PolarHBondContact OG-O 3.4Å; I167-V197 WeakPolarHBondContact CA-O 3.42Å; I167-V197 HydrophobicContact CB-CG2 3.84Å; I167-V197 HydrophobicContact CD1-CG2 4.15Å; I167-V197 HydrophobicContact CG1-CG2 3.91Å; I167-Y205 HydrophobicContact CD1-CD2 4.5Å
168	D	98.9	Very high	98.7	Very high	11 Å²	11	31.9 Å²	31.9	6%	0.059	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	143.7	172.4	-158.8	-65.9	0	0	0	110.2	G146 I170 V174 V197 V198 G199	G146-D168 WeakPolarHBondContact CA-OD2 3.29Å; G146-D168 PolarHBondContact N-OD2 3.14Å; D168-I170 PolarHBondContact OD1-N 3.04Å; D168-V174 HydrophobicContact CB-CG2 3.73Å; D168-V197 PolarHBondContact N-O 2.69Å; D168-V197 VanDerWaalsContact N-O 3.11Å; D168-V198 VanDerWaalsContact O-CA 3.26Å; D168-V198 WeakPolarHBondContact O-CA 3.3Å; D168-G199 CarbonylContact C-O 3.55Å; D168-G199 PolarHBondContact O-N 2.91Å
169	H	98.4	Very high	98.7	Very high	31 Å²	31	35 Å²	35	14%	0.144	19%	0.19	C	C	.	.	S	Bend	trans	-83.8	-10.2	179.9	67.9	171.2	0	0	0	113.8	G199 T275 K277 Q280	H169-G199 WeakPolarHBondContact CA-O 3.34Å; H169-G199 WeakPolarHBondContact CB-O 3.26Å; H169-G199 PolarHBondContact N-O 3.09Å; H169-T275 PolarHBondContact CE1-O 3.48Å; H169-T275 VanDerWaalsContact CE1-O 3.26Å; H169-T275 PolarHBondContact ND1-O 3.28Å; H169-K277 HydrophobicContact CB-CB 4.49Å; H169-K277 WeakPolarHBondContact ND1-CA 3.44Å; H169-K277 PolarHBondContact ND1-N 3.17Å; H169-K277 WeakPolarHBondContact O-CD 3.46Å; H169-Q280 PolarHBondContact CE1-OE1 3.17Å; H169-Q280 PolarHBondContact NE2-OE1 2.9Å
170	I	98.5	Very high	98.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.19	C	C	.	.			trans	-96	110	175.2	-51.6	-50.1	0	0	0	108.9	F113 D168 E172 L173 V174 K277 W281	F113-I170 HydrophobicContact CB-CG2 4.03Å; F113-I170 HydrophobicContact CD1-CG2 3.81Å; F113-I170 HydrophobicContact CD2-CG2 4.48Å; F113-I170 HydrophobicContact CE1-CG2 4.44Å; F113-I170 HydrophobicContact CG-CG2 3.85Å; D168-I170 PolarHBondContact OD1-N 3.04Å; I170-E172 HydrophobicContact CG2-CB 4.31Å; I170-E172 PolarHBondContact O-N 2.88Å; I170-L173 HydrophobicContact CB-CB 4.1Å; I170-L173 HydrophobicContact CB-CD1 3.9Å; I170-L173 HydrophobicContact CB-CG 3.97Å; I170-L173 HydrophobicContact CG1-CD1 4.06Å; I170-L173 HydrophobicContact CG2-CB 4.36Å; I170-L173 HydrophobicContact CG2-CD1 4.34Å; I170-L173 HydrophobicContact CG2-CG 4Å; I170-L173 PolarHBondContact O-N 2.94Å; I170-V174 PolarHBondContact O-N 3.39Å; I170-V174 VanDerWaalsContact O-N 3.14Å; I170-K277 HydrophobicContact CD1-CG 3.94Å; I170-W281 HydrophobicContact CD1-CB 4.01Å
171	K	98.3	Very high	98.8	Very high	110 Å²	110	30.3 Å²	30.3	48%	0.478	16%	0.156	S	C	.	.	H	α-helix	trans	-53.9	-43.4	-179.1	-175.3	-170	-177	-47.7	0	111.9	L173 V174 D175 V198	K171-L173 VanDerWaalsContact C-N 3.3Å; K171-L173 PolarHBondContact O-N 3.47Å; K171-V174 WeakPolarHBondContact O-CB 3.27Å; K171-V174 PolarHBondContact O-N 3.11Å; K171-V174 VanDerWaalsContact O-N 3.13Å; K171-D175 IonicContact NZ-OD1 3.98Å; K171-D175 PolarHBondContact NZ-OD1 2.86Å; K171-D175 IonicContact NZ-OD2 2.76Å; K171-D175 PolarHBondContact NZ-OD2 3.21Å; K171-D175 PolarHBondContact O-N 3.04Å; K171-V198 HydrophobicContact CB-CG1 4.48Å; K171-V198 HydrophobicContact CB-CG2 4.27Å; K171-V198 HydrophobicContact CG-CG2 4.12Å
172	E	98.5	Very high	98.8	Very high	69 Å²	69	31.3 Å²	31.3	32%	0.322	15%	0.148	S	C	.	.	H	α-helix	trans	-64.6	-32.9	-178.5	-60.7	95.7	135.4	0	0	112.7	F113 I170 D176	F113-E172 HydrophobicContact CD1-CB 4.34Å; F113-E172 HydrophobicContact CE1-CB 3.5Å; F113-E172 HydrophobicContact CE1-CG 3.77Å; F113-E172 HydrophobicContact CE2-CB 3.81Å; F113-E172 HydrophobicContact CZ-CB 3.19Å; F113-E172 HydrophobicContact CZ-CG 3.82Å; I170-E172 HydrophobicContact CG2-CB 4.31Å; I170-E172 PolarHBondContact O-N 2.88Å; E172-D176 WeakPolarHBondContact O-CB 3.04Å; E172-D176 PolarHBondContact O-N 3.13Å
173	L	98.7	Very high	98.8	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-70.8	-36.8	172.7	-71.2	179.1	0	0	0	111.6	I111 F113 A115 I170 K171 D176 S177	I111-L173 HydrophobicContact CD1-CD2 3.91Å; I111-L173 HydrophobicContact CG1-CD2 4.01Å; F113-L173 HydrophobicContact CB-CD1 4.28Å; F113-L173 HydrophobicContact CB-CG 4.32Å; F113-L173 HydrophobicContact CD2-CD2 3.51Å; F113-L173 HydrophobicContact CD2-CG 3.73Å; F113-L173 HydrophobicContact CE2-CD2 4.11Å; F113-L173 HydrophobicContact CE2-CG 4.44Å; F113-L173 HydrophobicContact CG-CD2 4.41Å; F113-L173 HydrophobicContact CG-CG 4.23Å; A115-L173 HydrophobicContact CB-CD1 3.7Å; I170-L173 HydrophobicContact CB-CB 4.1Å; I170-L173 HydrophobicContact CB-CD1 3.9Å; I170-L173 HydrophobicContact CB-CG 3.97Å; I170-L173 HydrophobicContact CG1-CD1 4.06Å; I170-L173 HydrophobicContact CG2-CB 4.36Å; I170-L173 HydrophobicContact CG2-CD1 4.34Å; I170-L173 HydrophobicContact CG2-CG 4Å; I170-L173 PolarHBondContact O-N 2.94Å; K171-L173 VanDerWaalsContact C-N 3.3Å; K171-L173 PolarHBondContact O-N 3.47Å; L173-D176 PolarHBondContact O-N 2.75Å; L173-S177 WeakPolarHBondContact O-CB 3.49Å; L173-S177 PolarHBondContact O-N 2.67Å; L173-S177 PolarHBondContact O-OG 3.37Å
174	V	98.9	Very high	98.8	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.024	17%	0.169	C	C	.	.	H	α-helix	trans	-64	-45.3	173.5	179.1	0	0	0	0	110.9	D168 I170 K171 D176 S177 I178 L196 V198	D168-V174 HydrophobicContact CB-CG2 3.73Å; I170-V174 PolarHBondContact O-N 3.39Å; I170-V174 VanDerWaalsContact O-N 3.14Å; K171-V174 WeakPolarHBondContact O-CB 3.27Å; K171-V174 PolarHBondContact O-N 3.11Å; K171-V174 VanDerWaalsContact O-N 3.13Å; V174-D176 PolarHBondContact O-N 3.23Å; V174-S177 WeakPolarHBondContact CA-OG 3.34Å; V174-S177 PolarHBondContact O-N 3.34Å; V174-S177 PolarHBondContact O-OG 2.85Å; V174-I178 HydrophobicContact CG1-CD1 4.08Å; V174-I178 VanDerWaalsContact O-CG1 3.29Å; V174-I178 WeakPolarHBondContact O-CG1 3.39Å; V174-I178 PolarHBondContact O-N 2.91Å; V174-L196 HydrophobicContact CG1-CB 4.23Å; V174-V198 HydrophobicContact CB-CG2 3.8Å; V174-V198 HydrophobicContact CG1-CG2 3.93Å; V174-V198 HydrophobicContact CG2-CB 4.46Å; V174-V198 HydrophobicContact CG2-CG2 3.74Å
175	D	98.8	Very high	98.8	Very high	65 Å²	65	38.3 Å²	38.3	35%	0.348	18%	0.18	S	C	.	.	H	α-helix	trans	-62	-44	176.5	-63.9	-23.9	0	0	0	111.1	K171 N179	K171-D175 IonicContact NZ-OD1 3.98Å; K171-D175 PolarHBondContact NZ-OD1 2.86Å; K171-D175 IonicContact NZ-OD2 2.76Å; K171-D175 PolarHBondContact NZ-OD2 3.21Å; K171-D175 PolarHBondContact O-N 3.04Å; D175-N179 PolarHBondContact O-N 3Å; D175-N179 VanDerWaalsContact O-N 3.17Å; D175-N179 PolarHBondContact O-ND2 3.04Å; D175-N179 VanDerWaalsContact O-ND2 3.09Å
176	D	98.8	Very high	98.7	Very high	52 Å²	52	41.8 Å²	41.8	28%	0.278	20%	0.203	S	C	.	.	H	α-helix	trans	-64.4	-43.1	177.3	-87.3	-2.7	0	0	0	112.1	K100 E172 L173 V174 N179 N180	K100-D176 IonicContact NZ-OD2 2.75Å; E172-D176 WeakPolarHBondContact O-CB 3.04Å; E172-D176 PolarHBondContact O-N 3.13Å; L173-D176 PolarHBondContact O-N 2.75Å; V174-D176 PolarHBondContact O-N 3.23Å; D176-N179 CarbonylContact O-C 3.6Å; D176-N179 WeakPolarHBondContact O-CB 3.49Å; D176-N179 PolarHBondContact O-N 3Å; D176-N179 VanDerWaalsContact O-N 3.14Å; D176-N180 PolarHBondContact O-N 2.83Å; D176-N180 PolarHBondContact O-ND2 3.26Å; D176-N180 PolarHBondContact O-OD1 3.07Å
177	S	98.9	Very high	98.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-65.3	-38.6	178.5	56.1	0	0	0	0	112.8	G146 S147 L173 V174 N179 N180 V181	G146-S177 WeakPolarHBondContact O-CB 3.28Å; S147-S177 VanDerWaalsContact C-CB 3.45Å; S147-S177 WeakPolarHBondContact O-CA 3.44Å; S147-S177 VanDerWaalsContact O-CB 3.27Å; S147-S177 WeakPolarHBondContact O-CB 3.47Å; L173-S177 WeakPolarHBondContact O-CB 3.49Å; L173-S177 PolarHBondContact O-N 2.67Å; L173-S177 PolarHBondContact O-OG 3.37Å; V174-S177 WeakPolarHBondContact CA-OG 3.34Å; V174-S177 PolarHBondContact O-N 3.34Å; V174-S177 PolarHBondContact O-OG 2.85Å; S177-N179 VanDerWaalsContact C-N 3.28Å; S177-N179 PolarHBondContact O-N 2.81Å; S177-N180 PolarHBondContact O-N 3.09Å; S177-V181 WeakPolarHBondContact O-CG2 3.41Å; S177-V181 PolarHBondContact O-N 2.76Å
178	I	98.9	Very high	98.7	Very high	43 Å²	43	44.9 Å²	44.9	22%	0.221	22%	0.222	C	C	.	.	H	α-helix	trans	-58.6	-43.6	171.5	-70	166.4	0	0	0	110.2	V174 R182 L189 L196	V174-I178 HydrophobicContact CG1-CD1 4.08Å; V174-I178 VanDerWaalsContact O-CG1 3.29Å; V174-I178 WeakPolarHBondContact O-CG1 3.39Å; V174-I178 PolarHBondContact O-N 2.91Å; I178-R182 WeakPolarHBondContact O-CB 3.34Å; I178-R182 PolarHBondContact O-N 3.43Å; I178-L189 HydrophobicContact CG2-CD1 4.09Å; I178-L196 HydrophobicContact CB-CD1 4.41Å; I178-L196 HydrophobicContact CD1-CB 4.34Å; I178-L196 HydrophobicContact CG1-CB 3.81Å; I178-L196 HydrophobicContact CG1-CD1 3.71Å; I178-L196 HydrophobicContact CG1-CG 4.42Å
179	N	98.9	Very high	98.7	Very high	66 Å²	66	46.4 Å²	46.4	35%	0.353	23%	0.23	S	C	.	.	H	α-helix	trans	-66.9	-36.2	177.1	-69.4	-37.3	0	0	0	112.5	D175 D176 S177 R182 K183	D175-N179 PolarHBondContact O-N 3Å; D175-N179 VanDerWaalsContact O-N 3.17Å; D175-N179 PolarHBondContact O-ND2 3.04Å; D175-N179 VanDerWaalsContact O-ND2 3.09Å; D176-N179 CarbonylContact O-C 3.6Å; D176-N179 WeakPolarHBondContact O-CB 3.49Å; D176-N179 PolarHBondContact O-N 3Å; D176-N179 VanDerWaalsContact O-N 3.14Å; S177-N179 VanDerWaalsContact C-N 3.28Å; S177-N179 PolarHBondContact O-N 2.81Å; N179-R182 PolarHBondContact O-N 2.77Å; N179-R182 PolarHBondContact OD1-NH1 2.92Å; N179-K183 VanDerWaalsContact O-CG 3.27Å; N179-K183 WeakPolarHBondContact O-CG 3.31Å; N179-K183 PolarHBondContact O-N 2.9Å; N179-K183 VanDerWaalsContact O-N 3.11Å
180	N	98.9	Very high	98.7	Very high	16 Å²	16	50 Å²	50	9%	0.086	26%	0.258	C	S	.	.	H	α-helix	trans	-66.8	-49.2	177.3	-62.5	-20.5	0	0	0	111.1	H97 Y98 S147 D176 S177 R182 K183 D184	H97-N180 VanDerWaalsContact O-CB 3.31Å; H97-N180 WeakPolarHBondContact O-CB 3.37Å; H97-N180 PolarHBondContact O-OD1 3.27Å; H97-N180 VanDerWaalsContact O-OD1 3.09Å; Y98-N180 HydrophobicContact CD1-CB 3.63Å; Y98-N180 HydrophobicContact CE1-CB 3.82Å; Y98-N180 HydrophobicContact CG-CB 4.4Å; S147-N180 PolarHBondContact O-ND2 2.85Å; S147-N180 VanDerWaalsContact O-ND2 3.08Å; D176-N180 PolarHBondContact O-N 2.83Å; D176-N180 PolarHBondContact O-ND2 3.26Å; D176-N180 PolarHBondContact O-OD1 3.07Å; S177-N180 PolarHBondContact O-N 3.09Å; N180-R182 VanDerWaalsContact C-N 3.28Å; N180-R182 PolarHBondContact O-N 2.94Å; N180-K183 WeakPolarHBondContact O-CB 3.18Å; N180-K183 PolarHBondContact O-N 3.22Å; N180-K183 VanDerWaalsContact O-N 3.08Å; N180-D184 PolarHBondContact O-N 3.45Å
181	V	98.9	Very high	98.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60.1	-39.7	175.8	176.6	0	0	0	0	110.8	Y98 S177 K183 D184 D185 L188 L189 L196	Y98-V181 HydrophobicContact CE1-CG2 4.16Å; S177-V181 WeakPolarHBondContact O-CG2 3.41Å; S177-V181 PolarHBondContact O-N 2.76Å; V181-K183 VanDerWaalsContact C-N 3.3Å; V181-K183 PolarHBondContact O-N 2.93Å; V181-D184 PolarHBondContact O-N 3.42Å; V181-D185 CarbonylContact O-C 3.58Å; V181-D185 VanDerWaalsContact O-C 3.25Å; V181-D185 PolarHBondContact O-N 3.27Å; V181-D185 VanDerWaalsContact O-O 3.13Å; V181-L188 HydrophobicContact CG1-CB 3.86Å; V181-L188 HydrophobicContact CG1-CD1 4.08Å; V181-L189 HydrophobicContact CB-CD1 4.44Å; V181-L189 HydrophobicContact CB-CG 4.45Å; V181-L189 HydrophobicContact CG1-CD1 4.27Å; V181-L189 HydrophobicContact CG1-CD2 4.07Å; V181-L189 HydrophobicContact CG1-CG 3.83Å; V181-L196 HydrophobicContact CG2-CD1 4.13Å
182	R	98.8	Very high	98.7	Very high	124 Å²	124	49.7 Å²	49.7	47%	0.468	28%	0.276	S	S	.	.	H	α-helix	trans	-63	-33.4	175.7	-169.6	-178.5	-64.9	118.1	0.8	113.4	I178 N179 N180 P186 L189	I178-R182 WeakPolarHBondContact O-CB 3.34Å; I178-R182 PolarHBondContact O-N 3.43Å; N179-R182 PolarHBondContact O-N 2.77Å; N179-R182 PolarHBondContact OD1-NH1 2.92Å; N180-R182 VanDerWaalsContact C-N 3.28Å; N180-R182 PolarHBondContact O-N 2.94Å; R182-P186 HydrophobicContact CG-CB 4.15Å; R182-L189 HydrophobicContact CB-CD1 4.05Å
183	K	98.6	Very high	98.7	Very high	134 Å²	134	48 Å²	48	58%	0.583	27%	0.267	S	S	*	.	H	α-helix	trans	-74.4	-36.2	176.1	-69.9	164.8	-167.1	165.6	0	112.2	N179 N180 V181	N179-K183 VanDerWaalsContact O-CG 3.27Å; N179-K183 WeakPolarHBondContact O-CG 3.31Å; N179-K183 PolarHBondContact O-N 2.9Å; N179-K183 VanDerWaalsContact O-N 3.11Å; N180-K183 WeakPolarHBondContact O-CB 3.18Å; N180-K183 PolarHBondContact O-N 3.22Å; N180-K183 VanDerWaalsContact O-N 3.08Å; V181-K183 VanDerWaalsContact C-N 3.3Å; V181-K183 PolarHBondContact O-N 2.93Å
184	D	98.8	Very high	98.7	Very high	31 Å²	31	48.2 Å²	48.2	17%	0.166	27%	0.268	C	S	.	.	H	α-helix	trans	-72.3	-64.1	177.7	179.2	20.5	0	0	0	110.8	H97 Y98 R156 N180 V181	H97-D184 HydrophobicContact CB-CB 4.15Å; H97-D184 IonicContact CD2-OD1 3.05Å; Y98-D184 HydrophobicContact CE2-CB 4.09Å; Y98-D184 WeakPolarHBondContact OH-CB 3.37Å; Y98-D184 PolarHBondContact OH-OD2 2.83Å; R156-D184 IonicContact CZ-OD1 2.83Å; R156-D184 IonicContact CZ-OD2 3Å; R156-D184 VanDerWaalsContact CZ-OD2 3.25Å; R156-D184 IonicContact NH1-OD2 3.82Å; R156-D184 PolarHBondContact NH1-OD2 3.48Å; R156-D184 IonicContact NH2-OD1 3.6Å; R156-D184 PolarHBondContact NH2-OD1 2.64Å; R156-D184 IonicContact NH2-OD2 3.89Å; R156-D184 PolarHBondContact NH2-OD2 2.98Å; N180-D184 PolarHBondContact O-N 3.45Å; V181-D184 PolarHBondContact O-N 3.42Å
185	D	98.7	Very high	98.7	Very high	42 Å²	42	50.6 Å²	50.6	23%	0.225	28%	0.279	C	S	.	.			trans	-150.4	103.1	177.3	-179.2	-2.7	0	0	0	110.3	V181 T187 L188	V181-D185 CarbonylContact O-C 3.58Å; V181-D185 VanDerWaalsContact O-C 3.25Å; V181-D185 PolarHBondContact O-N 3.27Å; V181-D185 VanDerWaalsContact O-O 3.13Å; D185-T187 PolarHBondContact O-N 3.08Å; D185-T187 VanDerWaalsContact O-N 3.14Å; D185-T187 WeakPolarHBondContact OD1-CA 3.25Å; D185-T187 VanDerWaalsContact OD1-CB 3.25Å; D185-T187 WeakPolarHBondContact OD1-CB 3.43Å; D185-T187 WeakPolarHBondContact OD1-CG2 3.19Å; D185-T187 PolarHBondContact OD1-N 2.88Å; D185-T187 PolarHBondContact OD1-OG1 3.13Å; D185-T187 PolarHBondContact OD2-OG1 2.78Å; D185-T187 VanDerWaalsContact OD2-OG1 3.08Å; D185-L188 HydrophobicContact CB-CD1 4.05Å; D185-L188 HydrophobicContact CB-CG 4.02Å; D185-L188 WeakPolarHBondContact O-CB 3.31Å; D185-L188 PolarHBondContact O-N 3.26Å
186	P	98.6	Very high	98.7	Very high	73 Å²	73	48.4 Å²	48.4	47%	0.474	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-19.1	179.9	27.8	-34.8	0	0	0	113.1	R182 L188 L189 S190	R182-P186 HydrophobicContact CG-CB 4.15Å; P186-L188 VanDerWaalsContact C-N 3.28Å; P186-L188 PolarHBondContact O-N 3.44Å; P186-L189 PolarHBondContact O-N 3.09Å; P186-S190 PolarHBondContact O-N 3.25Å; P186-S190 VanDerWaalsContact O-N 3.15Å
187	T	98.6	Very high	98.7	Very high	70 Å²	70	46.9 Å²	46.9	43%	0.429	26%	0.26	S	S	.	.	H	α-helix	trans	-70.6	-24.4	179.3	76.6	0	0	0	0	112.5	D185 L189 S190 S191	D185-T187 PolarHBondContact O-N 3.08Å; D185-T187 VanDerWaalsContact O-N 3.14Å; D185-T187 WeakPolarHBondContact OD1-CA 3.25Å; D185-T187 VanDerWaalsContact OD1-CB 3.25Å; D185-T187 WeakPolarHBondContact OD1-CB 3.43Å; D185-T187 WeakPolarHBondContact OD1-CG2 3.19Å; D185-T187 PolarHBondContact OD1-N 2.88Å; D185-T187 PolarHBondContact OD1-OG1 3.13Å; D185-T187 PolarHBondContact OD2-OG1 2.78Å; D185-T187 VanDerWaalsContact OD2-OG1 3.08Å; T187-L189 PolarHBondContact O-N 3.3Å; T187-S190 WeakPolarHBondContact CA-OG 3.47Å; T187-S190 PolarHBondContact O-N 2.99Å; T187-S191 WeakPolarHBondContact O-CB 3.34Å; T187-S191 PolarHBondContact O-N 3.49Å; T187-S191 PolarHBondContact O-OG 2.82Å
188	L	98.7	Very high	98.7	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.8	-35.4	173.4	-69.3	177.1	0	0	0	112	A152 A155 V181 D185 P186 R193 V194	A152-L188 HydrophobicContact CB-CD1 4.21Å; A155-L188 HydrophobicContact CB-CD2 3.97Å; V181-L188 HydrophobicContact CG1-CB 3.86Å; V181-L188 HydrophobicContact CG1-CD1 4.08Å; D185-L188 HydrophobicContact CB-CD1 4.05Å; D185-L188 HydrophobicContact CB-CG 4.02Å; D185-L188 WeakPolarHBondContact O-CB 3.31Å; D185-L188 PolarHBondContact O-N 3.26Å; P186-L188 VanDerWaalsContact C-N 3.28Å; P186-L188 PolarHBondContact O-N 3.44Å; L188-R193 PolarHBondContact O-N 3.13Å; L188-V194 HydrophobicContact CB-CB 4.35Å; L188-V194 HydrophobicContact CB-CG2 3.93Å; L188-V194 PolarHBondContact O-N 3.05Å
189	L	98.8	Very high	98.7	Very high	43 Å²	43	49.9 Å²	49.9	23%	0.225	29%	0.285	C	S	.	.	H	α-helix	trans	-82.6	-48.1	176.6	-62.1	171.8	0	0	0	111.5	I178 V181 R182 P186 T187 S191 G192 V194	I178-L189 HydrophobicContact CG2-CD1 4.09Å; V181-L189 HydrophobicContact CB-CD1 4.44Å; V181-L189 HydrophobicContact CB-CG 4.45Å; V181-L189 HydrophobicContact CG1-CD1 4.27Å; V181-L189 HydrophobicContact CG1-CD2 4.07Å; V181-L189 HydrophobicContact CG1-CG 3.83Å; R182-L189 HydrophobicContact CB-CD1 4.05Å; P186-L189 PolarHBondContact O-N 3.09Å; T187-L189 PolarHBondContact O-N 3.3Å; L189-S191 VanDerWaalsContact C-N 3.31Å; L189-S191 PolarHBondContact O-N 2.9Å; L189-G192 PolarHBondContact O-N 2.95Å; L189-G192 VanDerWaalsContact O-N 3.07Å; L189-V194 HydrophobicContact CD2-CB 4.3Å; L189-V194 HydrophobicContact CD2-CG1 4.08Å
190	S	98.5	Very high	98.7	Very high	105 Å²	105	49.6 Å²	49.6	73%	0.734	28%	0.283	S	S	*	.	H	α-helix	trans	-70.3	-26	-174.9	66	0	0	0	0	113.8	P186 T187 G192	P186-S190 PolarHBondContact O-N 3.25Å; P186-S190 VanDerWaalsContact O-N 3.15Å; T187-S190 WeakPolarHBondContact CA-OG 3.47Å; T187-S190 PolarHBondContact O-N 2.99Å; S190-G192 VanDerWaalsContact C-N 3.28Å
191	S	98.3	Very high	98.7	Very high	68 Å²	68	49.1 Å²	49.1	48%	0.476	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-12.3	171.9	62.5	0	0	0	0	113.7	T187 L189 R193	T187-S191 WeakPolarHBondContact O-CB 3.34Å; T187-S191 PolarHBondContact O-N 3.49Å; T187-S191 PolarHBondContact O-OG 2.82Å; L189-S191 VanDerWaalsContact C-N 3.31Å; L189-S191 PolarHBondContact O-N 2.9Å; S191-R193 PolarHBondContact O-N 2.76Å; S191-R193 WeakPolarHBondContact OG-CD 3.45Å; S191-R193 VanDerWaalsContact OG-CG 3.29Å; S191-R193 WeakPolarHBondContact OG-CG 3.27Å; S191-R193 PolarHBondContact OG-N 3.43Å
192	G	98.3	Very high	98.7	Very high	37 Å²	37	52.7 Å²	52.7	38%	0.381	30%	0.295	S	S	.	.	S	Bend	trans	75.4	7	-174	0	0	0	0	0	114.7	L189 S190 V194	L189-G192 PolarHBondContact O-N 2.95Å; L189-G192 VanDerWaalsContact O-N 3.07Å; S190-G192 VanDerWaalsContact C-N 3.28Å; G192-V194 VanDerWaalsContact C-N 3.3Å; G192-V194 PolarHBondContact O-N 3.22Å
193	R	98.4	Very high	98.7	Very high	34 Å²	34	52.8 Å²	52.8	13%	0.128	30%	0.303	C	S	.	.	S	Bend	trans	-65.3	-33.2	176.1	-72.7	169.6	65.6	-156	0.8	112.3	A155 G159 V164 L188 S191	A155-R193 PolarHBondContact O-NH2 2.81Å; G159-R193 PolarHBondContact O-NE 3.39Å; G159-R193 PolarHBondContact O-NH2 3.04Å; V164-R193 PolarHBondContact N-O 3.14Å; L188-R193 PolarHBondContact O-N 3.13Å; S191-R193 PolarHBondContact O-N 2.76Å; S191-R193 WeakPolarHBondContact OG-CD 3.45Å; S191-R193 VanDerWaalsContact OG-CG 3.29Å; S191-R193 WeakPolarHBondContact OG-CG 3.27Å; S191-R193 PolarHBondContact OG-N 3.43Å
194	V	98.9	Very high	98.7	Very high	5 Å²	5	46.6 Å²	46.6	3%	0.03	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	128	174.2	174	0	0	0	0	109.9	T151 A155 V164 L188 L189 G192 L196	T151-V194 HydrophobicContact CG2-CG1 4.16Å; A155-V194 HydrophobicContact CB-CG2 3.42Å; A155-V194 VanDerWaalsContact CB-CG2 3.42Å; V164-V194 WeakPolarHBondContact O-CA 3.36Å; L188-V194 HydrophobicContact CB-CB 4.35Å; L188-V194 HydrophobicContact CB-CG2 3.93Å; L188-V194 PolarHBondContact O-N 3.05Å; L189-V194 HydrophobicContact CD2-CB 4.3Å; L189-V194 HydrophobicContact CD2-CG1 4.08Å; G192-V194 VanDerWaalsContact C-N 3.3Å; G192-V194 PolarHBondContact O-N 3.22Å; V194-L196 HydrophobicContact CG1-CD1 4.17Å; V194-L196 HydrophobicContact CG1-CG 3.98Å
195	Q	98.9	Very high	98.7	Very high	55 Å²	55	47.5 Å²	47.5	26%	0.257	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	123.6	169.2	-173.4	178.3	-36.5	0	0	109	V164 I165 G166 V197 Y205	V164-Q195 PolarHBondContact O-N 2.98Å; I165-Q195 CarbonylContact C-O 3.53Å; I165-Q195 VanDerWaalsContact CA-O 3.31Å; I165-Q195 WeakPolarHBondContact CA-O 3.25Å; I165-Q195 HydrophobicContact CG1-CB 4.49Å; G166-Q195 PolarHBondContact N-O 3.49Å; Q195-V197 HydrophobicContact CG-CG1 3.91Å; Q195-Y205 PolarHBondContact NE2-OH 2.89Å
196	L	98.9	Very high	98.7	Very high	18 Å²	18	48.6 Å²	48.6	9%	0.094	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	120.8	179.3	-71.3	160.9	0	0	0	108.8	T151 G166 V174 I178 V181 V194	T151-L196 HydrophobicContact CG2-CD2 4.19Å; G166-L196 CarbonylContact O-C 3.44Å; G166-L196 WeakPolarHBondContact O-CA 3.4Å; V174-L196 HydrophobicContact CG1-CB 4.23Å; I178-L196 HydrophobicContact CB-CD1 4.41Å; I178-L196 HydrophobicContact CD1-CB 4.34Å; I178-L196 HydrophobicContact CG1-CB 3.81Å; I178-L196 HydrophobicContact CG1-CD1 3.71Å; I178-L196 HydrophobicContact CG1-CG 4.42Å; V181-L196 HydrophobicContact CG2-CD1 4.13Å; V194-L196 HydrophobicContact CG1-CD1 4.17Å; V194-L196 HydrophobicContact CG1-CG 3.98Å
197	V	98.9	Very high	98.7	Very high	21 Å²	21	51.7 Å²	51.7	13%	0.127	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	149.4	-171.8	-59.5	0	0	0	0	112.3	I165 G166 I167 D168 Q195 Y205	I165-V197 HydrophobicContact CG2-CG2 4.11Å; G166-V197 PolarHBondContact O-N 3.36Å; I167-V197 WeakPolarHBondContact CA-O 3.42Å; I167-V197 HydrophobicContact CB-CG2 3.84Å; I167-V197 HydrophobicContact CD1-CG2 4.15Å; I167-V197 HydrophobicContact CG1-CG2 3.91Å; D168-V197 PolarHBondContact N-O 2.69Å; D168-V197 VanDerWaalsContact N-O 3.11Å; Q195-V197 HydrophobicContact CG-CG1 3.91Å; V197-Y205 HydrophobicContact CG1-CE2 4.43Å; V197-Y205 HydrophobicContact CG2-CD2 4.07Å; V197-Y205 HydrophobicContact CG2-CE2 4.06Å; V197-Y205 HydrophobicContact CG2-CG 4.48Å
198	V	98.9	Very high	98.7	Very high	81 Å²	81	50.2 Å²	50.2	49%	0.491	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	126.3	171.8	-174.4	0	0	0	0	109.1	D168 K171 V174	D168-V198 VanDerWaalsContact O-CA 3.26Å; D168-V198 WeakPolarHBondContact O-CA 3.3Å; K171-V198 HydrophobicContact CB-CG1 4.48Å; K171-V198 HydrophobicContact CB-CG2 4.27Å; K171-V198 HydrophobicContact CG-CG2 4.12Å; V174-V198 HydrophobicContact CB-CG2 3.8Å; V174-V198 HydrophobicContact CG1-CG2 3.93Å; V174-V198 HydrophobicContact CG2-CB 4.46Å; V174-V198 HydrophobicContact CG2-CG2 3.74Å
199	G	98.6	Very high	98.6	Very high	24 Å²	24	51.8 Å²	51.8	25%	0.247	30%	0.303	C	S	.	.	S	Bend	trans	176.4	171.4	175.3	0	0	0	0	0	114.1	D168 H169 G201	D168-G199 CarbonylContact C-O 3.55Å; D168-G199 PolarHBondContact O-N 2.91Å; H169-G199 WeakPolarHBondContact CA-O 3.34Å; H169-G199 WeakPolarHBondContact CB-O 3.26Å; H169-G199 PolarHBondContact N-O 3.09Å; G199-G201 PolarHBondContact O-N 2.63Å
200	D	98.6	Very high	98.6	Very high	60 Å²	60	52.8 Å²	52.8	32%	0.321	31%	0.312	S	S	.	.			trans	-78.8	101.5	174	-173.3	-12.7	0	0	0	110.2	R202 M203	D200-R202 PolarHBondContact O-N 2.92Å; D200-R202 VanDerWaalsContact O-N 3.08Å; D200-R202 VanDerWaalsContact OD1-CB 3.24Å; D200-R202 WeakPolarHBondContact OD1-CB 3.35Å; D200-R202 WeakPolarHBondContact OD1-CG 3.35Å; D200-R202 IonicContact OD1-CZ 2.73Å; D200-R202 PolarHBondContact OD1-N 2.9Å; D200-R202 IonicContact OD1-NE 2.68Å; D200-R202 PolarHBondContact OD1-NE 3.4Å; D200-R202 IonicContact OD1-NH2 3.31Å; D200-R202 IonicContact OD2-CZ 3.29Å; D200-R202 VanDerWaalsContact OD2-CZ 3.24Å; D200-R202 IonicContact OD2-NE 3.32Å; D200-R202 PolarHBondContact OD2-NE 3.21Å; D200-R202 IonicContact OD2-NH2 3.25Å; D200-R202 PolarHBondContact OD2-NH2 3.18Å; D200-M203 WeakPolarHBondContact O-CB 3.04Å; D200-M203 PolarHBondContact O-N 3.13Å
201	G	98.6	Very high	98.7	Very high	6 Å²	6	47.8 Å²	47.8	6%	0.062	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-61.9	-14.7	-179.2	0	0	0	0	0	115.4	G199 M203 G204	G199-G201 PolarHBondContact O-N 2.63Å; G201-M203 PolarHBondContact O-N 2.94Å; G201-G204 PolarHBondContact O-N 3.09Å
202	R	98.7	Very high	98.7	Very high	75 Å²	75	45.5 Å²	45.5	28%	0.283	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-64.1	-24.4	171.9	-62.2	173	-68.2	-172.5	-0.2	111.9	D200 G204 P224 L274 D276	D200-R202 PolarHBondContact O-N 2.92Å; D200-R202 VanDerWaalsContact O-N 3.08Å; D200-R202 VanDerWaalsContact OD1-CB 3.24Å; D200-R202 WeakPolarHBondContact OD1-CB 3.35Å; D200-R202 WeakPolarHBondContact OD1-CG 3.35Å; D200-R202 IonicContact OD1-CZ 2.73Å; D200-R202 PolarHBondContact OD1-N 2.9Å; D200-R202 IonicContact OD1-NE 2.68Å; D200-R202 PolarHBondContact OD1-NE 3.4Å; D200-R202 IonicContact OD1-NH2 3.31Å; D200-R202 IonicContact OD2-CZ 3.29Å; D200-R202 VanDerWaalsContact OD2-CZ 3.24Å; D200-R202 IonicContact OD2-NE 3.32Å; D200-R202 PolarHBondContact OD2-NE 3.21Å; D200-R202 IonicContact OD2-NH2 3.25Å; D200-R202 PolarHBondContact OD2-NH2 3.18Å; R202-G204 VanDerWaalsContact C-N 3.32Å; R202-P224 HydrophobicContact CB-CB 4.46Å; R202-P224 VanDerWaalsContact O-CB 3.29Å; R202-P224 WeakPolarHBondContact O-CB 3.47Å; R202-L274 HydrophobicContact CG-CD1 4.28Å; R202-L274 HydrophobicContact CG-CD2 3.74Å; R202-L274 HydrophobicContact CG-CG 3.8Å; R202-D276 IonicContact CZ-OD1 3.34Å; R202-D276 VanDerWaalsContact CZ-OD1 3.31Å; R202-D276 IonicContact NH1-OD1 3.86Å; R202-D276 PolarHBondContact NH1-OD1 3.23Å; R202-D276 IonicContact NH2-OD1 2.76Å; R202-D276 PolarHBondContact NH2-OD1 3.2Å
203	M	98.8	Very high	98.7	Very high	126 Å²	126	43.7 Å²	43.7	62%	0.621	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-88.6	0.1	175.7	-58.1	-53.4	-61	0	0	112.8	D200 G201 Q230	D200-M203 WeakPolarHBondContact O-CB 3.04Å; D200-M203 PolarHBondContact O-N 3.13Å; G201-M203 PolarHBondContact O-N 2.94Å; M203-Q230 PolarHBondContact O-NE2 3.19Å
204	G	98.7	Very high	98.7	Very high	5 Å²	5	42.1 Å²	42.1	5%	0.052	24%	0.235	C	C	.	.			trans	61.7	-145.4	-170	0	0	0	0	0	111.8	G201 R202 L227	G201-G204 PolarHBondContact O-N 3.09Å; R202-G204 VanDerWaalsContact C-N 3.32Å; G204-L227 VanDerWaalsContact CA-CD2 3.49Å
205	Y	98.8	Very high	98.8	Very high	49 Å²	49	42.2 Å²	42.2	19%	0.192	24%	0.235	C	C	.	.			trans	-146.7	92.9	174.4	-170.5	-113.8	0	0	0	108.8	I165 I167 Q195 V197 E207 E208 A209 Y211	I165-Y205 HydrophobicContact CB-CD1 4.5Å; I165-Y205 HydrophobicContact CG1-CD1 4.14Å; I165-Y205 HydrophobicContact CG1-CE1 4.45Å; I165-Y205 HydrophobicContact CG2-CD1 3.73Å; I165-Y205 HydrophobicContact CG2-CE1 4.29Å; I165-Y205 HydrophobicContact CG2-CG 4.16Å; I167-Y205 HydrophobicContact CD1-CD2 4.5Å; Q195-Y205 PolarHBondContact NE2-OH 2.89Å; V197-Y205 HydrophobicContact CG1-CE2 4.43Å; V197-Y205 HydrophobicContact CG2-CD2 4.07Å; V197-Y205 HydrophobicContact CG2-CE2 4.06Å; V197-Y205 HydrophobicContact CG2-CG 4.48Å; Y205-E207 VanDerWaalsContact C-N 3.28Å; Y205-E207 HydrophobicContact CD1-CB 4.41Å; Y205-E207 VanDerWaalsContact CD2-OE2 3.25Å; Y205-E207 WeakPolarHBondContact CD2-OE2 3.27Å; Y205-E207 HydrophobicContact CE1-CB 3.9Å; Y205-E207 HydrophobicContact CE2-CB 4.44Å; Y205-E207 HydrophobicContact CE2-CG 4.43Å; Y205-E207 VanDerWaalsContact CE2-OE2 3.28Å; Y205-E207 WeakPolarHBondContact CE2-OE2 3.31Å; Y205-E207 PolarHBondContact O-N 2.86Å; Y205-E208 HydrophobicContact CD1-CB 3.89Å; Y205-E208 HydrophobicContact CD1-CG 4.01Å; Y205-E208 HydrophobicContact CE1-CB 4.13Å; Y205-E208 HydrophobicContact CE1-CG 3.71Å; Y205-E208 PolarHBondContact O-N 3.45Å; Y205-A209 PolarHBondContact O-N 3.13Å; Y205-Y211 PolarHBondContact O-OH 3.32Å
206	A	98.6	Very high	98.7	Very high	65 Å²	65	39.6 Å²	39.6	54%	0.537	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-27	-167.5	0	0	0	0	0	112.9	E208 A209	A206-E208 PolarHBondContact O-N 3.05Å; A206-A209 WeakPolarHBondContact O-CB 3.24Å; A206-A209 PolarHBondContact O-N 3.3Å
207	E	98.5	Very high	98.7	Very high	138 Å²	138	39.2 Å²	39.2	65%	0.645	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-28.5	-177.9	-65.3	75.8	-173.2	0	0	112.5	Y205	Y205-E207 VanDerWaalsContact C-N 3.28Å; Y205-E207 HydrophobicContact CD1-CB 4.41Å; Y205-E207 VanDerWaalsContact CD2-OE2 3.25Å; Y205-E207 WeakPolarHBondContact CD2-OE2 3.27Å; Y205-E207 HydrophobicContact CE1-CB 3.9Å; Y205-E207 HydrophobicContact CE2-CB 4.44Å; Y205-E207 HydrophobicContact CE2-CG 4.43Å; Y205-E207 VanDerWaalsContact CE2-OE2 3.28Å; Y205-E207 WeakPolarHBondContact CE2-OE2 3.31Å; Y205-E207 PolarHBondContact O-N 2.86Å
208	E	98.6	Very high	98.6	Very high	40 Å²	40	38.6 Å²	38.6	19%	0.187	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-2	177.9	-72.4	-72.6	174.6	0	0	113.1	K139 K163 I165 Y205 A206 Y211	K139-E208 HydrophobicContact CD-CB 4.33Å; K139-E208 WeakPolarHBondContact CD-O 3.31Å; K139-E208 WeakPolarHBondContact CE-O 3.27Å; K139-E208 PolarHBondContact NZ-O 2.93Å; K139-E208 IonicContact NZ-OE2 3.84Å; K139-E208 PolarHBondContact NZ-OE2 3.09Å; K163-E208 IonicContact NZ-OE1 2.91Å; K163-E208 PolarHBondContact NZ-OE1 3.06Å; K163-E208 IonicContact NZ-OE2 3.81Å; I165-E208 HydrophobicContact CD1-CB 3.83Å; I165-E208 HydrophobicContact CD1-CG 3.98Å; I165-E208 HydrophobicContact CG1-CB 3.91Å; I165-E208 HydrophobicContact CG1-CG 3.92Å; Y205-E208 HydrophobicContact CD1-CB 3.89Å; Y205-E208 HydrophobicContact CD1-CG 4.01Å; Y205-E208 HydrophobicContact CE1-CB 4.13Å; Y205-E208 HydrophobicContact CE1-CG 3.71Å; Y205-E208 PolarHBondContact O-N 3.45Å; A206-E208 PolarHBondContact O-N 3.05Å; E208-Y211 HydrophobicContact CB-CE1 4.31Å; E208-Y211 WeakPolarHBondContact CB-OH 3.5Å
209	A	98.3	Very high	98.5	Very high	32 Å²	32	34.8 Å²	34.8	26%	0.264	20%	0.198	S	C	.	.			trans	-60.1	154.9	173.4	0	0	0	0	0	111.2	Y205 A206 Y211 Q230	Y205-A209 PolarHBondContact O-N 3.13Å; A206-A209 WeakPolarHBondContact O-CB 3.24Å; A206-A209 PolarHBondContact O-N 3.3Å; A209-Y211 HydrophobicContact CB-CD2 4.33Å; A209-Y211 HydrophobicContact CB-CE2 3.84Å; A209-Q230 HydrophobicContact CB-CB 3.95Å; A209-Q230 HydrophobicContact CB-CG 3.74Å
210	P	98.8	Very high	98.4	Very high	64 Å²	64	33.7 Å²	33.7	42%	0.416	19%	0.186	S	C	.	.			cis	-90	163.5	2	37.2	-37.3	0	0	0	114	Q230 K232	P210-Q230 CarbonylContact C-O 3.52Å; P210-Q230 WeakPolarHBondContact CA-O 3.2Å; P210-Q230 WeakPolarHBondContact CB-O 3.4Å; P210-K232 HydrophobicContact CB-CG 3.63Å; P210-K232 HydrophobicContact CG-CD 4.45Å; P210-K232 HydrophobicContact CG-CG 3.6Å; P210-K232 VanDerWaalsContact O-CE 3.29Å; P210-K232 WeakPolarHBondContact O-CE 3.43Å
211	Y	98.9	Very high	98.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	143.9	-174.5	-57.7	-78.2	0	0	0	113.3	K139 L141 I165 Y205 E208 A209 I214 Q230 K232	K139-Y211 HydrophobicContact CB-CD1 4.38Å; K139-Y211 HydrophobicContact CD-CD1 3.93Å; K139-Y211 HydrophobicContact CD-CE1 3.84Å; K139-Y211 HydrophobicContact CG-CD1 3.79Å; K139-Y211 HydrophobicContact CG-CE1 4Å; L141-Y211 HydrophobicContact CB-CD1 3.79Å; L141-Y211 HydrophobicContact CB-CD2 4.06Å; L141-Y211 HydrophobicContact CB-CE1 3.83Å; L141-Y211 HydrophobicContact CB-CE2 4.1Å; L141-Y211 HydrophobicContact CB-CG 3.91Å; L141-Y211 HydrophobicContact CD2-CD2 4.23Å; L141-Y211 HydrophobicContact CD2-CE2 3.88Å; L141-Y211 HydrophobicContact CG-CE2 4.44Å; I165-Y211 HydrophobicContact CD1-CE1 4.15Å; Y205-Y211 PolarHBondContact O-OH 3.32Å; E208-Y211 HydrophobicContact CB-CE1 4.31Å; E208-Y211 WeakPolarHBondContact CB-OH 3.5Å; A209-Y211 HydrophobicContact CB-CD2 4.33Å; A209-Y211 HydrophobicContact CB-CE2 3.84Å; Y211-I214 HydrophobicContact CD2-CD1 4.03Å; Y211-I214 HydrophobicContact CD2-CG1 4.23Å; Y211-I214 HydrophobicContact CG-CD1 4.45Å; Y211-I214 HydrophobicContact CG-CG1 4.19Å; Y211-Q230 HydrophobicContact CD2-CB 4.07Å; Y211-Q230 HydrophobicContact CE2-CB 4.3Å; Y211-Q230 PolarHBondContact N-O 2.87Å; Y211-K232 WeakPolarHBondContact O-CB 3.41Å; Y211-K232 PolarHBondContact O-N 3.1Å
212	D	98.9	Very high	98.1	Very high	20 Å²	20	40.1 Å²	40.1	11%	0.107	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	-39	169.4	-56.6	-79.4	0	0	0	110.5	Q133 H135 A138 K139 K232 G235 R236	Q133-D212 WeakPolarHBondContact CB-O 3.33Å; Q133-D212 WeakPolarHBondContact CG-O 3.48Å; H135-D212 IonicContact CE1-OD1 3.83Å; A138-D212 HydrophobicContact CB-CB 4.06Å; K139-D212 PolarHBondContact N-OD2 2.95Å; K139-D212 PolarHBondContact O-N 3Å; D212-K232 WeakPolarHBondContact OD1-CD 3.48Å; D212-K232 IonicContact OD1-NZ 2.95Å; D212-K232 PolarHBondContact OD1-NZ 2.85Å; D212-K232 IonicContact OD2-NZ 3.83Å; D212-K232 PolarHBondContact OD2-NZ 3.11Å; D212-G235 CarbonylContact O-C 3.56Å; D212-G235 WeakPolarHBondContact O-CA 3.2Å; D212-R236 PolarHBondContact O-N 3.11Å
213	A	98.9	Very high	98.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	131.5	-179	0	0	0	0	0	110.9	L130 Q133 L134 K139 A140 L141 R236	L130-A213 HydrophobicContact CD1-CB 4.49Å; L130-A213 HydrophobicContact CD2-CB 4.09Å; Q133-A213 HydrophobicContact CB-CB 3.88Å; L134-A213 HydrophobicContact CD2-CB 3.78Å; L134-A213 HydrophobicContact CG-CB 4.18Å; K139-A213 PolarHBondContact O-N 3.44Å; A140-A213 CarbonylContact C-O 3.5Å; A140-A213 VanDerWaalsContact CA-O 3.23Å; A140-A213 WeakPolarHBondContact CA-O 3.39Å; A140-A213 HydrophobicContact CB-CB 4.06Å; L141-A213 PolarHBondContact N-O 3.35Å; A213-R236 WeakPolarHBondContact CA-O 3.37Å
214	I	98.9	Very high	98	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	127.9	168.1	-54.7	179.6	0	0	0	108.4	L141 V143 Y211 L227 L231 R236 L237 I238	L141-I214 HydrophobicContact CB-CG1 4.15Å; L141-I214 HydrophobicContact CB-CG2 4.26Å; L141-I214 HydrophobicContact CD2-CG2 4.17Å; L141-I214 HydrophobicContact CG-CG2 4.41Å; L141-I214 WeakPolarHBondContact O-CA 3.28Å; V143-I214 HydrophobicContact CG2-CG2 4.43Å; Y211-I214 HydrophobicContact CD2-CD1 4.03Å; Y211-I214 HydrophobicContact CD2-CG1 4.23Å; Y211-I214 HydrophobicContact CG-CD1 4.45Å; Y211-I214 HydrophobicContact CG-CG1 4.19Å; I214-L227 HydrophobicContact CD1-CB 4.47Å; I214-L227 WeakPolarHBondContact CD1-O 3.49Å; I214-L227 HydrophobicContact CG2-CD2 4.32Å; I214-L231 HydrophobicContact CB-CD2 4.34Å; I214-L231 HydrophobicContact CD1-CD2 3.68Å; I214-L231 HydrophobicContact CD1-CG 4.01Å; I214-L231 HydrophobicContact CG1-CD2 3.73Å; I214-R236 PolarHBondContact N-O 2.85Å; I214-L237 HydrophobicContact CB-CB 4.34Å; I214-L237 HydrophobicContact CB-CD1 3.77Å; I214-L237 HydrophobicContact CG2-CD1 3.53Å; I214-L237 CarbonylContact O-C 3.57Å; I214-L237 VanDerWaalsContact O-CA 3.3Å; I214-L237 WeakPolarHBondContact O-CA 3.32Å; I214-I238 PolarHBondContact O-N 2.91Å
215	H	98.9	Very high	98	Very high	7 Å²	7	37.9 Å²	37.9	3%	0.032	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	143.1	170.3	171.9	-97.2	0	0	0	109.5	L130 L141 D142 V143 L150 F154 G217 I238	L130-H215 HydrophobicContact CD1-CB 3.95Å; L141-H215 PolarHBondContact O-N 3.06Å; D142-H215 IonicContact OD1-CE1 2.76Å; D142-H215 IonicContact OD1-CG 3.73Å; D142-H215 IonicContact OD1-ND1 2.64Å; D142-H215 PolarHBondContact OD1-ND1 3.43Å; V143-H215 PolarHBondContact N-O 2.78Å; L150-H215 WeakPolarHBondContact CD2-CE1 3.42Å; L150-H215 VanDerWaalsContact CD2-ND1 3.29Å; L150-H215 WeakPolarHBondContact CD2-ND1 3.35Å; F154-H215 HydrophobicContact CE2-CB 3.65Å; F154-H215 HydrophobicContact CZ-CB 3.65Å; H215-G217 PolarHBondContact CE1-N 2.76Å; H215-I238 WeakPolarHBondContact CA-O 3.31Å
216	V	98.8	Very high	98	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	112	173	-171.4	0	0	0	0	109.1	V143 A218 L227 L237 I238 L239 P240 L274	V143-V216 HydrophobicContact CB-CB 4.31Å; V143-V216 HydrophobicContact CB-CG1 4.13Å; V143-V216 HydrophobicContact CB-CG2 4.09Å; V143-V216 HydrophobicContact CG1-CG1 3.98Å; V143-V216 HydrophobicContact CG2-CG2 4.39Å; V216-A218 VanDerWaalsContact CG1-O 3.27Å; V216-A218 WeakPolarHBondContact CG1-O 3.25Å; V216-A218 PolarHBondContact O-N 2.86Å; V216-L227 HydrophobicContact CG2-CD1 3.63Å; V216-L237 HydrophobicContact CG2-CD1 3.82Å; V216-I238 PolarHBondContact N-O 2.79Å; V216-L239 HydrophobicContact CB-CB 3.61Å; V216-L239 HydrophobicContact CG1-CB 4.4Å; V216-L239 HydrophobicContact CG2-CB 3.66Å; V216-P240 WeakPolarHBondContact O-CD 3.21Å; V216-L274 HydrophobicContact CG1-CD2 4.02Å
217	G	97.9	Very high	98	Very high	11 Å²	11	33.4 Å²	33.4	11%	0.113	20%	0.195	C	C	.	.	S	Bend	trans	-81.1	18.3	179.6	0	0	0	0	0	114.8	V143 H215 Y271	V143-G217 PolarHBondContact O-N 3.29Å; H215-G217 PolarHBondContact CE1-N 2.76Å; G217-Y271 WeakPolarHBondContact O-CD1 3.49Å
218	A	96.9	Very high	98	Very high	7 Å²	7	27.5 Å²	27.5	6%	0.058	17%	0.167	C	C	.	.	S	Bend	trans	-149.9	142.6	-177.3	0	0	0	0	0	111.2	V216 A220 V272 L274	V216-A218 VanDerWaalsContact CG1-O 3.27Å; V216-A218 WeakPolarHBondContact CG1-O 3.25Å; V216-A218 PolarHBondContact O-N 2.86Å; A218-A220 PolarHBondContact O-N 2.89Å; A218-V272 CarbonylContact C-O 3.59Å; A218-V272 WeakPolarHBondContact CA-O 3.39Å; A218-V272 HydrophobicContact CB-CG2 4.12Å; A218-V272 WeakPolarHBondContact CB-O 3.31Å; A218-L274 HydrophobicContact CB-CB 3.77Å; A218-L274 HydrophobicContact CB-CD1 4.18Å
219	A	96.8	Very high	98.1	Very high	2 Å²	2	30.3 Å²	30.3	2%	0.017	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-77.2	120.7	-174.1	0	0	0	0	0	112.1	P240 Q248 V272 L274	A219-P240 CarbonylContact C-O 3.58Å; A219-P240 WeakPolarHBondContact CA-O 3.36Å; A219-P240 HydrophobicContact CB-CB 3.93Å; A219-P240 HydrophobicContact CB-CG 4.29Å; A219-Q248 HydrophobicContact CB-CG 3.99Å; A219-V272 PolarHBondContact N-O 3.12Å; A219-L274 WeakPolarHBondContact O-CB 3.32Å; A219-L274 PolarHBondContact O-N 2.9Å
220	A	96.7	Very high	98.1	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.008	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-90.1	137.1	177.4	0	0	0	0	0	110.9	A218 V222 P224 L239 P240 V241 G242 L274	A218-A220 PolarHBondContact O-N 2.89Å; A220-V222 VanDerWaalsContact CB-O 3.28Å; A220-V222 WeakPolarHBondContact CB-O 3.1Å; A220-V222 PolarHBondContact O-N 2.76Å; A220-P224 HydrophobicContact CB-CG 4.44Å; A220-L239 HydrophobicContact CB-CD1 4.39Å; A220-P240 PolarHBondContact N-O 3.17Å; A220-V241 WeakPolarHBondContact O-CA 3.36Å; A220-G242 PolarHBondContact O-N 2.99Å; A220-L274 HydrophobicContact CB-CB 4.34Å; A220-L274 HydrophobicContact CB-CD2 3.86Å
221	P	95.5	Very high	98.1	Very high	91 Å²	91	26.9 Å²	26.9	59%	0.591	16%	0.157	S	C	*	.	S	Bend	trans	-66.8	-30.6	174	27.2	-33.9	0	0	0	112.1
222	V	95.4	Very high	98.1	Very high	110 Å²	110	29.6 Å²	29.6	67%	0.667	17%	0.169	S	C	*	.	S	Bend	trans	-139.7	148.3	173.6	-64.8	0	0	0	0	108.3	A220 P224	A220-V222 VanDerWaalsContact CB-O 3.28Å; A220-V222 WeakPolarHBondContact CB-O 3.1Å; A220-V222 PolarHBondContact O-N 2.76Å; V222-P224 WeakPolarHBondContact O-CD 3.49Å
223	V	97.8	Very high	98.1	Very high	32 Å²	32	32.1 Å²	32.1	19%	0.194	19%	0.186	C	C	.	.			trans	-65.6	124.6	-179.8	-178.1	0	0	0	0	110.3	Q225 I228 L237 L239 V241 Y253	V223-Q225 PolarHBondContact O-N 3.42Å; V223-I228 HydrophobicContact CG1-CD1 3.85Å; V223-I228 HydrophobicContact CG1-CG1 4.29Å; V223-L237 HydrophobicContact CG1-CD2 4.46Å; V223-L239 HydrophobicContact CB-CD1 4.39Å; V223-L239 HydrophobicContact CG1-CD1 3.97Å; V223-L239 HydrophobicContact CG1-CD2 4.45Å; V223-L239 HydrophobicContact CG2-CD1 4.21Å; V223-V241 HydrophobicContact CG2-CG1 4.32Å; V223-V241 HydrophobicContact CG2-CG2 3.65Å; V223-Y253 HydrophobicContact CG1-CE1 4.44Å; V223-Y253 HydrophobicContact CG1-CE2 4.28Å; V223-Y253 HydrophobicContact CG2-CE2 3.97Å; V223-Y253 WeakPolarHBondContact CG2-OH 3.28Å
224	P	98.2	Very high	98.1	Very high	15 Å²	15	33.9 Å²	33.9	10%	0.097	20%	0.204	C	C	.	.			trans	-71.8	114.3	179.1	-15	29.2	0	0	0	111	R202 A220 V222 A226 L227 L274	R202-P224 HydrophobicContact CB-CB 4.46Å; R202-P224 VanDerWaalsContact O-CB 3.29Å; R202-P224 WeakPolarHBondContact O-CB 3.47Å; A220-P224 HydrophobicContact CB-CG 4.44Å; V222-P224 WeakPolarHBondContact O-CD 3.49Å; P224-A226 PolarHBondContact O-N 3.45Å; P224-L227 HydrophobicContact CB-CD1 4.1Å; P224-L227 HydrophobicContact CB-CG 4.1Å; P224-L227 HydrophobicContact CG-CD1 3.93Å; P224-L227 HydrophobicContact CG-CG 4.48Å; P224-L227 WeakPolarHBondContact O-CB 3.28Å; P224-L227 PolarHBondContact O-N 3.2Å; P224-L274 HydrophobicContact CG-CD2 4.13Å
225	Q	98.5	Very high	98	Very high	111 Å²	111	33.9 Å²	33.9	52%	0.519	20%	0.204	S	C	.	.	H	α-helix	trans	-57.9	-35.1	-177.5	-173.2	58.6	46.4	0	0	112.7	V223 L227 I228 D229	V223-Q225 PolarHBondContact O-N 3.42Å; Q225-L227 PolarHBondContact O-N 2.81Å; Q225-L227 VanDerWaalsContact O-N 3.15Å; Q225-I228 WeakPolarHBondContact O-CB 3.38Å; Q225-I228 PolarHBondContact O-N 3.32Å; Q225-D229 PolarHBondContact NE2-OD1 3.18Å; Q225-D229 VanDerWaalsContact O-CG 3.24Å; Q225-D229 PolarHBondContact O-N 3.49Å
226	A	98.7	Very high	98	Very high	21 Å²	21	35.5 Å²	35.5	17%	0.174	21%	0.21	C	C	.	.	H	α-helix	trans	-56	-33.3	177.4	0	0	0	0	0	113	P224 Q230	P224-A226 PolarHBondContact O-N 3.45Å; A226-Q230 WeakPolarHBondContact O-CB 3.28Å; A226-Q230 WeakPolarHBondContact O-CG 3.48Å; A226-Q230 PolarHBondContact O-N 3.47Å; A226-Q230 VanDerWaalsContact O-N 3.11Å; A226-Q230 PolarHBondContact O-NE2 2.84Å
227	L	98.9	Very high	98	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-71.3	-39.1	177.3	-60.7	-179.8	0	0	0	111.6	L141 V143 G204 I214 V216 P224 Q225 Q230 L231 L237	L141-L227 HydrophobicContact CD2-CD2 4.08Å; V143-L227 HydrophobicContact CG2-CD2 4.02Å; G204-L227 VanDerWaalsContact CA-CD2 3.49Å; I214-L227 HydrophobicContact CD1-CB 4.47Å; I214-L227 WeakPolarHBondContact CD1-O 3.49Å; I214-L227 HydrophobicContact CG2-CD2 4.32Å; V216-L227 HydrophobicContact CG2-CD1 3.63Å; P224-L227 HydrophobicContact CB-CD1 4.1Å; P224-L227 HydrophobicContact CB-CG 4.1Å; P224-L227 HydrophobicContact CG-CD1 3.93Å; P224-L227 HydrophobicContact CG-CG 4.48Å; P224-L227 WeakPolarHBondContact O-CB 3.28Å; P224-L227 PolarHBondContact O-N 3.2Å; Q225-L227 PolarHBondContact O-N 2.81Å; Q225-L227 VanDerWaalsContact O-N 3.15Å; L227-Q230 PolarHBondContact O-N 2.79Å; L227-L231 PolarHBondContact O-N 3.26Å; L227-L237 HydrophobicContact CB-CD1 4.43Å; L227-L237 HydrophobicContact CB-CD2 4.1Å; L227-L237 HydrophobicContact CD1-CD1 4.36Å
228	I	98.7	Very high	98.1	Very high	14 Å²	14	35 Å²	35	7%	0.072	21%	0.205	C	C	.	.	H	α-helix	trans	-65.6	-42.1	175.1	-63.5	175.9	0	0	0	110.5	V223 Q225 Q230 L231 L237 Y253 K255 V261	V223-I228 HydrophobicContact CG1-CD1 3.85Å; V223-I228 HydrophobicContact CG1-CG1 4.29Å; Q225-I228 WeakPolarHBondContact O-CB 3.38Å; Q225-I228 PolarHBondContact O-N 3.32Å; I228-Q230 VanDerWaalsContact C-N 3.27Å; I228-Q230 PolarHBondContact O-N 2.84Å; I228-L231 WeakPolarHBondContact O-CB 3.19Å; I228-L231 PolarHBondContact O-N 3.16Å; I228-L237 HydrophobicContact CG1-CD2 4.12Å; I228-Y253 HydrophobicContact CD1-CD1 3.97Å; I228-Y253 HydrophobicContact CD1-CE1 4.06Å; I228-Y253 HydrophobicContact CG1-CD1 4.48Å; I228-K255 PolarHBondContact O-NZ 2.85Å; I228-V261 HydrophobicContact CG2-CB 4.5Å; I228-V261 HydrophobicContact CG2-CG1 4.24Å; I228-V261 HydrophobicContact CG2-CG2 3.65Å
229	D	98.7	Very high	98.2	Very high	98 Å²	98	34.7 Å²	34.7	52%	0.524	20%	0.202	S	C	.	.	H	α-helix	trans	-63.8	-36.3	-179.1	-63.2	-18.1	0	0	0	111.3	Q225 L231 K255	Q225-D229 PolarHBondContact NE2-OD1 3.18Å; Q225-D229 VanDerWaalsContact O-CG 3.24Å; Q225-D229 PolarHBondContact O-N 3.49Å; D229-L231 VanDerWaalsContact C-N 3.32Å; D229-L231 PolarHBondContact O-N 3.34Å; D229-K255 PolarHBondContact O-NZ 3.45Å
230	Q	98.9	Very high	98.2	Very high	22 Å²	22	34.6 Å²	34.6	10%	0.103	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-2.1	179.5	-68.7	171.9	33.7	0	0	114.5	M203 A209 P210 Y211 A226 L227 I228	M203-Q230 PolarHBondContact O-NE2 3.19Å; A209-Q230 HydrophobicContact CB-CB 3.95Å; A209-Q230 HydrophobicContact CB-CG 3.74Å; P210-Q230 CarbonylContact C-O 3.52Å; P210-Q230 WeakPolarHBondContact CA-O 3.2Å; P210-Q230 WeakPolarHBondContact CB-O 3.4Å; Y211-Q230 HydrophobicContact CD2-CB 4.07Å; Y211-Q230 HydrophobicContact CE2-CB 4.3Å; Y211-Q230 PolarHBondContact N-O 2.87Å; A226-Q230 WeakPolarHBondContact O-CB 3.28Å; A226-Q230 WeakPolarHBondContact O-CG 3.48Å; A226-Q230 PolarHBondContact O-N 3.47Å; A226-Q230 VanDerWaalsContact O-N 3.11Å; A226-Q230 PolarHBondContact O-NE2 2.84Å; L227-Q230 PolarHBondContact O-N 2.79Å; I228-Q230 VanDerWaalsContact C-N 3.27Å; I228-Q230 PolarHBondContact O-N 2.84Å
231	L	98.9	Very high	98.3	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.016	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	139.5	170.7	-73.3	173.6	0	0	0	111.6	I214 L227 I228 D229 L237 K255	I214-L231 HydrophobicContact CB-CD2 4.34Å; I214-L231 HydrophobicContact CD1-CD2 3.68Å; I214-L231 HydrophobicContact CD1-CG 4.01Å; I214-L231 HydrophobicContact CG1-CD2 3.73Å; L227-L231 PolarHBondContact O-N 3.26Å; I228-L231 WeakPolarHBondContact O-CB 3.19Å; I228-L231 PolarHBondContact O-N 3.16Å; D229-L231 VanDerWaalsContact C-N 3.32Å; D229-L231 PolarHBondContact O-N 3.34Å; L231-L237 HydrophobicContact CD1-CB 3.84Å; L231-L237 HydrophobicContact CD2-CB 4.29Å; L231-L237 HydrophobicContact CG-CB 4.43Å; L231-K255 HydrophobicContact CB-CB 4.1Å; L231-K255 HydrophobicContact CB-CD 3.75Å; L231-K255 HydrophobicContact CD1-CB 4.27Å; L231-K255 VanDerWaalsContact O-CD 3.24Å; L231-K255 WeakPolarHBondContact O-CD 3.27Å; L231-K255 WeakPolarHBondContact O-CE 3.23Å; L231-K255 PolarHBondContact O-NZ 2.97Å
232	K	98.8	Very high	98.4	Very high	57 Å²	57	31.8 Å²	31.8	25%	0.248	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	156.4	163.7	-72.6	175.1	179.2	176.2	0	111	P210 Y211 D212 G234 G235	P210-K232 HydrophobicContact CB-CG 3.63Å; P210-K232 HydrophobicContact CG-CD 4.45Å; P210-K232 HydrophobicContact CG-CG 3.6Å; P210-K232 VanDerWaalsContact O-CE 3.29Å; P210-K232 WeakPolarHBondContact O-CE 3.43Å; Y211-K232 WeakPolarHBondContact O-CB 3.41Å; Y211-K232 PolarHBondContact O-N 3.1Å; D212-K232 WeakPolarHBondContact OD1-CD 3.48Å; D212-K232 IonicContact OD1-NZ 2.95Å; D212-K232 PolarHBondContact OD1-NZ 2.85Å; D212-K232 IonicContact OD2-NZ 3.83Å; D212-K232 PolarHBondContact OD2-NZ 3.11Å; K232-G234 PolarHBondContact O-N 3.12Å; K232-G235 WeakPolarHBondContact O-CA 3.35Å; K232-G235 PolarHBondContact O-N 2.75Å
233	P	98.7	Very high	98.3	Very high	72 Å²	72	30.3 Å²	30.3	47%	0.468	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55	131	160.8	-21.5	33.3	0	0	0	110.7	G235	P233-G235 VanDerWaalsContact C-N 3.27Å
234	G	98.6	Very high	98	Very high	38 Å²	38	32.3 Å²	32.3	39%	0.392	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	82.4	-5.1	-170.4	0	0	0	0	0	115	K232 K255	K232-G234 PolarHBondContact O-N 3.12Å; G234-K255 VanDerWaalsContact CA-O 3.25Å; G234-K255 WeakPolarHBondContact CA-O 3.39Å; G234-K255 PolarHBondContact N-O 3.41Å
235	G	98.8	Very high	97.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	158.1	-178.5	0	0	0	0	0	113.6	D212 K232 P233 K255	D212-G235 CarbonylContact O-C 3.56Å; D212-G235 WeakPolarHBondContact O-CA 3.2Å; K232-G235 WeakPolarHBondContact O-CA 3.35Å; K232-G235 PolarHBondContact O-N 2.75Å; P233-G235 VanDerWaalsContact C-N 3.27Å; G235-K255 PolarHBondContact O-N 3.36Å
236	R	98.9	Very high	97.2	Very high	40 Å²	40	31.9 Å²	31.9	15%	0.151	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	135.2	-178.6	-177.7	172.7	-70.7	162	5.5	111.9	L129 L130 Q133 D212 A213 I214 I238 Q252 Y253 D254	L129-R236 VanDerWaalsContact O-CD 3.3Å; L129-R236 WeakPolarHBondContact O-CD 3.46Å; L129-R236 PolarHBondContact O-NH1 3.3Å; L130-R236 HydrophobicContact CD2-CB 3.92Å; L130-R236 HydrophobicContact CD2-CG 3.8Å; Q133-R236 HydrophobicContact CG-CB 3.63Å; D212-R236 PolarHBondContact O-N 3.11Å; A213-R236 WeakPolarHBondContact CA-O 3.37Å; I214-R236 PolarHBondContact N-O 2.85Å; R236-I238 HydrophobicContact CG-CD1 4.17Å; R236-I238 HydrophobicContact CG-CG1 4.29Å; R236-Q252 HydrophobicContact CG-CG 3.96Å; R236-Q252 VanDerWaalsContact CZ-NE2 3.29Å; R236-Q252 VanDerWaalsContact NE-CD 3.34Å; R236-Q252 VanDerWaalsContact NE-NE2 3.14Å; R236-Y253 CarbonylContact C-O 3.25Å; R236-Y253 WeakPolarHBondContact CA-O 3.25Å; R236-D254 IonicContact CZ-OD1 2.92Å; R236-D254 VanDerWaalsContact CZ-OD1 3.29Å; R236-D254 IonicContact NE-OD1 2.71Å; R236-D254 PolarHBondContact NE-OD1 3.29Å; R236-D254 IonicContact NH2-OD1 3.3Å; R236-D254 PolarHBondContact NH2-OD1 2.78Å
237	L	98.9	Very high	97	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	130.6	168.2	163.3	69.1	0	0	0	109.5	I214 V216 V223 L227 I228 L231 L239 Q252 Y253	I214-L237 HydrophobicContact CB-CB 4.34Å; I214-L237 HydrophobicContact CB-CD1 3.77Å; I214-L237 HydrophobicContact CG2-CD1 3.53Å; I214-L237 CarbonylContact O-C 3.57Å; I214-L237 VanDerWaalsContact O-CA 3.3Å; I214-L237 WeakPolarHBondContact O-CA 3.32Å; V216-L237 HydrophobicContact CG2-CD1 3.82Å; V223-L237 HydrophobicContact CG1-CD2 4.46Å; L227-L237 HydrophobicContact CB-CD1 4.43Å; L227-L237 HydrophobicContact CB-CD2 4.1Å; L227-L237 HydrophobicContact CD1-CD1 4.36Å; I228-L237 HydrophobicContact CG1-CD2 4.12Å; L231-L237 HydrophobicContact CD1-CB 3.84Å; L231-L237 HydrophobicContact CD2-CB 4.29Å; L231-L237 HydrophobicContact CG-CB 4.43Å; L237-L239 HydrophobicContact CD1-CB 4.38Å; L237-L239 HydrophobicContact CD1-CD2 4.47Å; L237-L239 HydrophobicContact CD2-CD2 3.99Å; L237-L239 HydrophobicContact CG-CD2 3.95Å; L237-Q252 WeakPolarHBondContact O-CA 3.48Å; L237-Y253 HydrophobicContact CD2-CG 4.48Å; L237-Y253 PolarHBondContact N-O 3.38Å; L237-Y253 PolarHBondContact O-N 2.87Å
238	I	98.9	Very high	96.9	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.01	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	121.7	169.9	-62.4	-61.4	0	0	0	108.5	L129 L130 I214 H215 V216 R236 L250 Q252 L266	L129-I238 HydrophobicContact CB-CD1 4.1Å; L129-I238 HydrophobicContact CB-CG1 4.15Å; L129-I238 HydrophobicContact CD1-CD1 4.32Å; L129-I238 HydrophobicContact CD1-CG2 4.37Å; L130-I238 HydrophobicContact CD1-CG1 4.38Å; L130-I238 HydrophobicContact CD2-CG1 3.8Å; L130-I238 HydrophobicContact CG-CG1 3.89Å; I214-I238 PolarHBondContact O-N 2.91Å; H215-I238 WeakPolarHBondContact CA-O 3.31Å; V216-I238 PolarHBondContact N-O 2.79Å; R236-I238 HydrophobicContact CG-CD1 4.17Å; R236-I238 HydrophobicContact CG-CG1 4.29Å; I238-L250 HydrophobicContact CG2-CD1 3.85Å; I238-L250 HydrophobicContact CG2-CD2 4.32Å; I238-L250 HydrophobicContact CG2-CG 4.16Å; I238-Q252 HydrophobicContact CD1-CB 3.66Å; I238-Q252 HydrophobicContact CD1-CG 3.78Å; I238-L266 HydrophobicContact CD1-CD1 4.08Å
239	L	98.7	Very high	96.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	149.7	176.6	80.2	168.4	0	0	0	112.7	V216 A220 V223 L237 V241 E251 Y253	V216-L239 HydrophobicContact CB-CB 3.61Å; V216-L239 HydrophobicContact CG1-CB 4.4Å; V216-L239 HydrophobicContact CG2-CB 3.66Å; A220-L239 HydrophobicContact CB-CD1 4.39Å; V223-L239 HydrophobicContact CB-CD1 4.39Å; V223-L239 HydrophobicContact CG1-CD1 3.97Å; V223-L239 HydrophobicContact CG1-CD2 4.45Å; V223-L239 HydrophobicContact CG2-CD1 4.21Å; L237-L239 HydrophobicContact CD1-CB 4.38Å; L237-L239 HydrophobicContact CD1-CD2 4.47Å; L237-L239 HydrophobicContact CD2-CD2 3.99Å; L237-L239 HydrophobicContact CG-CD2 3.95Å; L239-V241 HydrophobicContact CD1-CG2 4.11Å; L239-V241 HydrophobicContact CD2-CG2 4.18Å; L239-V241 HydrophobicContact CG-CG2 3.81Å; L239-E251 HydrophobicContact CD2-CB 4.44Å; L239-E251 PolarHBondContact N-O 3.41Å; L239-E251 PolarHBondContact O-N 3.46Å; L239-Y253 HydrophobicContact CD2-CD2 3.72Å; L239-Y253 HydrophobicContact CD2-CE2 3.78Å
240	P	98.2	Very high	96.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	136	164.7	11.8	0.7	0	0	0	110.6	V216 A219 A220 M249 V269 Y271	V216-P240 WeakPolarHBondContact O-CD 3.21Å; A219-P240 CarbonylContact C-O 3.58Å; A219-P240 WeakPolarHBondContact CA-O 3.36Å; A219-P240 HydrophobicContact CB-CB 3.93Å; A219-P240 HydrophobicContact CB-CG 4.29Å; A220-P240 PolarHBondContact N-O 3.17Å; P240-M249 CarbonylContact C-O 3.49Å; P240-M249 WeakPolarHBondContact CA-O 3.35Å; P240-V269 HydrophobicContact CB-CG2 3.95Å; P240-Y271 HydrophobicContact CB-CD2 3.87Å; P240-Y271 HydrophobicContact CB-CE2 4.37Å; P240-Y271 HydrophobicContact CB-CG 4.1Å; P240-Y271 HydrophobicContact CG-CD1 3.74Å; P240-Y271 HydrophobicContact CG-CD2 3.62Å; P240-Y271 HydrophobicContact CG-CE1 4.1Å; P240-Y271 HydrophobicContact CG-CE2 4Å; P240-Y271 HydrophobicContact CG-CG 3.47Å; P240-Y271 VanDerWaalsContact CG-CG 3.47Å
241	V	98.4	Very high	96.9	Very high	22 Å²	22	37.1 Å²	37.1	13%	0.133	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	128.1	177.2	-173.1	0	0	0	0	109.6	A220 V223 L239 Q248 M249 E251	A220-V241 WeakPolarHBondContact O-CA 3.36Å; V223-V241 HydrophobicContact CG2-CG1 4.32Å; V223-V241 HydrophobicContact CG2-CG2 3.65Å; L239-V241 HydrophobicContact CD1-CG2 4.11Å; L239-V241 HydrophobicContact CD2-CG2 4.18Å; L239-V241 HydrophobicContact CG-CG2 3.81Å; V241-Q248 CarbonylContact O-C 3.42Å; V241-Q248 WeakPolarHBondContact O-CA 3.42Å; V241-M249 PolarHBondContact N-O 3Å; V241-M249 PolarHBondContact O-N 3.48Å; V241-E251 HydrophobicContact CB-CG 4.41Å; V241-E251 HydrophobicContact CG2-CB 4.28Å; V241-E251 HydrophobicContact CG2-CG 4.08Å
242	G	97.1	Very high	96.9	Very high	11 Å²	11	37.2 Å²	37.2	11%	0.113	25%	0.249	C	C	.	.	S	Bend	trans	156.1	167.4	178.3	0	0	0	0	0	113.3	A220	A220-G242 PolarHBondContact O-N 2.99Å
243	P	94.1	Very high	96.9	Very high	78 Å²	78	36 Å²	36	51%	0.506	24%	0.243	S	C	.	.			trans	-67.5	152.1	179.1	29	-35.2	0	0	0	112.1	G245 G246	P243-G245 PolarHBondContact O-N 3.26Å; P243-G246 PolarHBondContact O-N 3.46Å; P243-G246 VanDerWaalsContact O-N 3.16Å
244	A	91.1	Very high	96.9	Very high	74 Å²	74	33.9 Å²	33.9	61%	0.612	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	126.8	171.7	0	0	0	0	0	110.6	G246 P273	A244-G246 PolarHBondContact O-N 2.98Å; A244-P273 HydrophobicContact CB-CB 3.95Å; A244-P273 HydrophobicContact CB-CG 3.64Å
245	G	86.9	Confident	96.9	Very high	86 Å²	86	33.8 Å²	33.8	89%	0.887	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.3	2.8	-179.9	0	0	0	0	0	115.9	P243	P243-G245 PolarHBondContact O-N 3.26Å
246	G	92.1	Very high	96.9	Very high	31 Å²	31	36.2 Å²	36.2	32%	0.32	23%	0.229	S	C	.	.	S	Bend	trans	-107.1	-168	176.2	0	0	0	0	0	113.4	P243 A244 Q248	P243-G246 PolarHBondContact O-N 3.46Å; P243-G246 VanDerWaalsContact O-N 3.16Å; A244-G246 PolarHBondContact O-N 2.98Å; G246-Q248 PolarHBondContact O-N 2.95Å
247	N	94.8	Very high	96.8	Very high	158 Å²	158	41.6 Å²	41.6	85%	0.845	26%	0.256	S	S	*	.			trans	-66.9	128.9	174.9	-66.1	-33.1	0	0	0	110.1
248	Q	97.4	Very high	96.7	Very high	10 Å²	10	47.5 Å²	47.5	5%	0.047	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	146.8	178	-56.5	161.7	0.1	0	0	109.7	A219 V241 G246 G268 V269 Y271	A219-Q248 HydrophobicContact CB-CG 3.99Å; V241-Q248 CarbonylContact O-C 3.42Å; V241-Q248 WeakPolarHBondContact O-CA 3.42Å; G246-Q248 PolarHBondContact O-N 2.95Å; Q248-G268 WeakPolarHBondContact O-CA 3.24Å; Q248-V269 HydrophobicContact CB-CG2 4.22Å; Q248-V269 WeakPolarHBondContact CB-O 3.26Å; Q248-V269 PolarHBondContact O-N 3.23Å; Q248-Y271 PolarHBondContact NE2-O 2.96Å; Q248-Y271 VanDerWaalsContact NE2-O 3.13Å
249	M	98.1	Very high	96.6	Very high	68 Å²	68	49.1 Å²	49.1	34%	0.335	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.6	175.9	-174.5	59.7	60.8	0	0	108.9	P240 V241 E251 P265	P240-M249 CarbonylContact C-O 3.49Å; P240-M249 WeakPolarHBondContact CA-O 3.35Å; V241-M249 PolarHBondContact N-O 3Å; V241-M249 PolarHBondContact O-N 3.48Å; M249-E251 HydrophobicContact CB-CG 4.24Å; M249-E251 HydrophobicContact CG-CG 3.86Å; M249-E251 PolarHBondContact O-N 2.93Å; M249-P265 HydrophobicContact CG-CB 3.7Å; M249-P265 HydrophobicContact SD-CB 3.85Å
250	L	98.4	Very high	96.6	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.016	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	121.7	165.9	-168.2	72.4	0	0	0	107.7	L129 I238 L266 M267 V269 Y271	L129-L250 HydrophobicContact CD1-CD2 3.86Å; I238-L250 HydrophobicContact CG2-CD1 3.85Å; I238-L250 HydrophobicContact CG2-CD2 4.32Å; I238-L250 HydrophobicContact CG2-CG 4.16Å; L250-L266 HydrophobicContact CB-CB 4.49Å; L250-L266 HydrophobicContact CD2-CD1 4.07Å; L250-L266 HydrophobicContact CG-CD1 4.26Å; L250-L266 WeakPolarHBondContact O-CB 3.38Å; L250-L266 PolarHBondContact O-N 2.99Å; L250-M267 HydrophobicContact CB-CG 4.25Å; L250-M267 HydrophobicContact CD2-CE 3.63Å; L250-M267 HydrophobicContact CD2-CG 4.4Å; L250-M267 PolarHBondContact N-O 3.46Å; L250-V269 HydrophobicContact CB-CG1 3.79Å; L250-V269 HydrophobicContact CB-CG2 3.96Å; L250-Y271 HydrophobicContact CD1-CE2 4.45Å
251	E	98.7	Very high	96.6	Very high	27 Å²	27	54.4 Å²	54.4	13%	0.126	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	149.1	-176.8	-63.7	-175.4	-172.1	0	0	110.7	L239 V241 M249 Y253	L239-E251 HydrophobicContact CD2-CB 4.44Å; L239-E251 PolarHBondContact N-O 3.41Å; L239-E251 PolarHBondContact O-N 3.46Å; V241-E251 HydrophobicContact CB-CG 4.41Å; V241-E251 HydrophobicContact CG2-CB 4.28Å; V241-E251 HydrophobicContact CG2-CG 4.08Å; M249-E251 HydrophobicContact CB-CG 4.24Å; M249-E251 HydrophobicContact CG-CG 3.86Å; M249-E251 PolarHBondContact O-N 2.93Å; E251-Y253 HydrophobicContact CB-CD2 4.37Å; E251-Y253 HydrophobicContact CB-CE2 3.91Å; E251-Y253 WeakPolarHBondContact OE2-CE2 3.33Å; E251-Y253 PolarHBondContact OE2-OH 3.47Å
252	Q	98.8	Very high	96.6	Very high	4 Å²	4	59.4 Å²	59.4	2%	0.019	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	130.1	174.6	175.4	177.1	-42.9	0	0	109.6	R236 L237 I238 D254 M263 K264 L266	R236-Q252 HydrophobicContact CG-CG 3.96Å; R236-Q252 VanDerWaalsContact CZ-NE2 3.29Å; R236-Q252 VanDerWaalsContact NE-CD 3.34Å; R236-Q252 VanDerWaalsContact NE-NE2 3.14Å; L237-Q252 WeakPolarHBondContact O-CA 3.48Å; I238-Q252 HydrophobicContact CD1-CB 3.66Å; I238-Q252 HydrophobicContact CD1-CG 3.78Å; Q252-D254 PolarHBondContact NE2-OD1 2.85Å; Q252-D254 PolarHBondContact NE2-OD2 3.36Å; Q252-M263 CarbonylContact O-C 3.59Å; Q252-M263 VanDerWaalsContact O-CA 3.29Å; Q252-M263 WeakPolarHBondContact O-CA 3.45Å; Q252-K264 HydrophobicContact CB-CG 4.03Å; Q252-K264 PolarHBondContact N-O 3.36Å; Q252-K264 VanDerWaalsContact NE2-CE 3.28Å; Q252-K264 VanDerWaalsContact NE2-NZ 3.11Å; Q252-K264 PolarHBondContact O-N 2.92Å; Q252-K264 VanDerWaalsContact OE1-CE 3.29Å; Q252-L266 HydrophobicContact CB-CD1 4.05Å; Q252-L266 HydrophobicContact CB-CD2 4.12Å; Q252-L266 HydrophobicContact CB-CG 4.12Å
253	Y	98.9	Very high	96.7	Very high	31 Å²	31	63.6 Å²	63.6	12%	0.122	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	119.7	173.3	-74.3	-105.6	0	0	0	109	V223 I228 R236 L237 L239 E251 V261 K262 M263	V223-Y253 HydrophobicContact CG1-CE1 4.44Å; V223-Y253 HydrophobicContact CG1-CE2 4.28Å; V223-Y253 HydrophobicContact CG2-CE2 3.97Å; V223-Y253 WeakPolarHBondContact CG2-OH 3.28Å; I228-Y253 HydrophobicContact CD1-CD1 3.97Å; I228-Y253 HydrophobicContact CD1-CE1 4.06Å; I228-Y253 HydrophobicContact CG1-CD1 4.48Å; R236-Y253 CarbonylContact C-O 3.25Å; R236-Y253 WeakPolarHBondContact CA-O 3.25Å; L237-Y253 HydrophobicContact CD2-CG 4.48Å; L237-Y253 PolarHBondContact N-O 3.38Å; L237-Y253 PolarHBondContact O-N 2.87Å; L239-Y253 HydrophobicContact CD2-CD2 3.72Å; L239-Y253 HydrophobicContact CD2-CE2 3.78Å; E251-Y253 HydrophobicContact CB-CD2 4.37Å; E251-Y253 HydrophobicContact CB-CE2 3.91Å; E251-Y253 WeakPolarHBondContact OE2-CE2 3.33Å; E251-Y253 PolarHBondContact OE2-OH 3.47Å; Y253-V261 HydrophobicContact CD1-CG1 3.79Å; Y253-K262 CarbonylContact C-O 3.59Å; Y253-K262 WeakPolarHBondContact CA-O 3.39Å; Y253-M263 HydrophobicContact CD1-CB 3.92Å; Y253-M263 HydrophobicContact CD1-CG 4.18Å; Y253-M263 HydrophobicContact CD2-CG 4.06Å; Y253-M263 HydrophobicContact CE1-CB 3.66Å; Y253-M263 HydrophobicContact CE1-CG 3.7Å; Y253-M263 HydrophobicContact CE2-CB 4.34Å; Y253-M263 HydrophobicContact CE2-CG 3.54Å; Y253-M263 HydrophobicContact CG-CB 4.37Å; Y253-M263 HydrophobicContact CG-CG 4.34Å
254	D	98.9	Very high	96.8	Very high	29 Å²	29	64.5 Å²	64.5	16%	0.155	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	127	175.3	-61.5	-76.6	0	0	0	109.5	R236 Q252 V261 K262	R236-D254 IonicContact CZ-OD1 2.92Å; R236-D254 VanDerWaalsContact CZ-OD1 3.29Å; R236-D254 IonicContact NE-OD1 2.71Å; R236-D254 PolarHBondContact NE-OD1 3.29Å; R236-D254 IonicContact NH2-OD1 3.3Å; R236-D254 PolarHBondContact NH2-OD1 2.78Å; Q252-D254 PolarHBondContact NE2-OD1 2.85Å; Q252-D254 PolarHBondContact NE2-OD2 3.36Å; D254-V261 WeakPolarHBondContact O-CA 3.36Å; D254-K262 PolarHBondContact N-O 3.24Å; D254-K262 PolarHBondContact O-N 2.97Å
255	K	98.8	Very high	97.2	Very high	35 Å²	35	64.9 Å²	64.9	15%	0.152	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	116.2	170.5	-167.4	167.8	-171.3	168.1	0	108.6	I228 D229 L231 G234 G235 S260 V261	I228-K255 PolarHBondContact O-NZ 2.85Å; D229-K255 PolarHBondContact O-NZ 3.45Å; L231-K255 HydrophobicContact CB-CB 4.1Å; L231-K255 HydrophobicContact CB-CD 3.75Å; L231-K255 HydrophobicContact CD1-CB 4.27Å; L231-K255 VanDerWaalsContact O-CD 3.24Å; L231-K255 WeakPolarHBondContact O-CD 3.27Å; L231-K255 WeakPolarHBondContact O-CE 3.23Å; L231-K255 PolarHBondContact O-NZ 2.97Å; G234-K255 VanDerWaalsContact CA-O 3.25Å; G234-K255 WeakPolarHBondContact CA-O 3.39Å; G234-K255 PolarHBondContact N-O 3.41Å; G235-K255 PolarHBondContact O-N 3.36Å; K255-S260 CarbonylContact C-O 3.55Å; K255-V261 HydrophobicContact CG-CG2 4.34Å
256	L	98.4	Very high	97.7	Very high	51 Å²	51	63.5 Å²	63.5	27%	0.267	34%	0.341	S	S	.	.			trans	-75.1	169.1	-178.8	-61	-170.2	0	0	0	111.7	D258 G259 S260 K262	L256-D258 WeakPolarHBondContact CB-OD1 3.35Å; L256-D258 PolarHBondContact O-N 3.05Å; L256-G259 PolarHBondContact O-N 2.9Å; L256-S260 WeakPolarHBondContact CD1-OG 3.29Å; L256-S260 PolarHBondContact N-O 3.48Å; L256-K262 HydrophobicContact CD1-CD 3.8Å; L256-K262 VanDerWaalsContact CD1-CE 3.42Å; L256-K262 HydrophobicContact CD1-CG 4.1Å; L256-K262 HydrophobicContact CD2-CD 4.32Å; L256-K262 HydrophobicContact CG-CD 4.33Å; L256-K262 HydrophobicContact CG-CG 4.39Å
257	Q	97.4	Very high	97.8	Very high	153 Å²	153	65 Å²	65	72%	0.715	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-27.1	-180	-66.8	-62.4	-9.1	0	0	113.2	G259	Q257-G259 PolarHBondContact O-N 2.89Å
258	D	97.3	Very high	97.9	Very high	125 Å²	125	60.3 Å²	60.3	67%	0.668	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	2	174.9	66	2.1	0	0	0	113.5	L256 S260	L256-D258 WeakPolarHBondContact CB-OD1 3.35Å; L256-D258 PolarHBondContact O-N 3.05Å; D258-S260 VanDerWaalsContact C-N 3.29Å; D258-S260 PolarHBondContact O-N 2.88Å; D258-S260 VanDerWaalsContact OD1-CB 3.23Å; D258-S260 WeakPolarHBondContact OD1-CB 3.42Å; D258-S260 PolarHBondContact OD1-N 3.46Å; D258-S260 PolarHBondContact OD1-OG 3.27Å; D258-S260 PolarHBondContact OD2-OG 2.95Å
259	G	96.8	Very high	97.8	Very high	36 Å²	36	60.7 Å²	60.7	37%	0.371	33%	0.333	S	S	.	.	S	Bend	trans	83.7	-6.8	-178	0	0	0	0	0	114.9	L256 Q257	L256-G259 PolarHBondContact O-N 2.9Å; Q257-G259 PolarHBondContact O-N 2.89Å
260	S	98.1	Very high	97.6	Very high	50 Å²	50	65.1 Å²	65.1	35%	0.35	36%	0.356	S	S	.	.			trans	-69.3	153.9	174.6	69.9	0	0	0	0	111.5	K255 L256 D258	K255-S260 CarbonylContact C-O 3.55Å; L256-S260 WeakPolarHBondContact CD1-OG 3.29Å; L256-S260 PolarHBondContact N-O 3.48Å; D258-S260 VanDerWaalsContact C-N 3.29Å; D258-S260 PolarHBondContact O-N 2.88Å; D258-S260 VanDerWaalsContact OD1-CB 3.23Å; D258-S260 WeakPolarHBondContact OD1-CB 3.42Å; D258-S260 PolarHBondContact OD1-N 3.46Å; D258-S260 PolarHBondContact OD1-OG 3.27Å; D258-S260 PolarHBondContact OD2-OG 2.95Å
261	V	98.5	Very high	97.4	Very high	60 Å²	60	66.2 Å²	66.2	36%	0.364	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127.8	-176	-179.6	0	0	0	0	109.6	I228 Y253 D254 K255	I228-V261 HydrophobicContact CG2-CB 4.5Å; I228-V261 HydrophobicContact CG2-CG1 4.24Å; I228-V261 HydrophobicContact CG2-CG2 3.65Å; Y253-V261 HydrophobicContact CD1-CG1 3.79Å; D254-V261 WeakPolarHBondContact O-CA 3.36Å; K255-V261 HydrophobicContact CG-CG2 4.34Å
262	K	98.4	Very high	97.2	Very high	128 Å²	128	67 Å²	67	56%	0.557	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	133.4	172.9	-71.8	-175.9	176.2	168.2	0	109.8	Y253 D254 L256	Y253-K262 CarbonylContact C-O 3.59Å; Y253-K262 WeakPolarHBondContact CA-O 3.39Å; D254-K262 PolarHBondContact N-O 3.24Å; D254-K262 PolarHBondContact O-N 2.97Å; L256-K262 HydrophobicContact CD1-CD 3.8Å; L256-K262 VanDerWaalsContact CD1-CE 3.42Å; L256-K262 HydrophobicContact CD1-CG 4.1Å; L256-K262 HydrophobicContact CD2-CD 4.32Å; L256-K262 HydrophobicContact CG-CD 4.33Å; L256-K262 HydrophobicContact CG-CG 4.39Å
263	M	98.2	Very high	97.1	Very high	99 Å²	99	69.1 Å²	69.1	49%	0.488	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	142.1	174	-179	-82.9	-78.7	0	0	110.1	Q252 Y253	Q252-M263 CarbonylContact O-C 3.59Å; Q252-M263 VanDerWaalsContact O-CA 3.29Å; Q252-M263 WeakPolarHBondContact O-CA 3.45Å; Y253-M263 HydrophobicContact CD1-CB 3.92Å; Y253-M263 HydrophobicContact CD1-CG 4.18Å; Y253-M263 HydrophobicContact CD2-CG 4.06Å; Y253-M263 HydrophobicContact CE1-CB 3.66Å; Y253-M263 HydrophobicContact CE1-CG 3.7Å; Y253-M263 HydrophobicContact CE2-CB 4.34Å; Y253-M263 HydrophobicContact CE2-CG 3.54Å; Y253-M263 HydrophobicContact CG-CB 4.37Å; Y253-M263 HydrophobicContact CG-CG 4.34Å
264	K	97.8	Very high	97	Very high	97 Å²	97	68.6 Å²	68.6	42%	0.422	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	139.4	162.2	69.1	-173.9	-170.9	-161.7	0	111.2	Q252 L266	Q252-K264 HydrophobicContact CB-CG 4.03Å; Q252-K264 PolarHBondContact N-O 3.36Å; Q252-K264 VanDerWaalsContact NE2-CE 3.28Å; Q252-K264 VanDerWaalsContact NE2-NZ 3.11Å; Q252-K264 PolarHBondContact O-N 2.92Å; Q252-K264 VanDerWaalsContact OE1-CE 3.29Å; K264-L266 HydrophobicContact CD-CD2 4.42Å; K264-L266 HydrophobicContact CG-CD2 4.21Å
265	P	98	Very high	96.9	Very high	81 Å²	81	68.5 Å²	68.5	53%	0.526	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	148.2	167.5	31.6	-34.3	0	0	0	110	M249	M249-P265 HydrophobicContact CG-CB 3.7Å; M249-P265 HydrophobicContact SD-CB 3.85Å
266	L	97.6	Very high	96.8	Very high	58 Å²	58	69.6 Å²	69.6	30%	0.304	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-61.7	179.7	-59.6	178.8	0	0	0	111.6	L129 I238 L250 Q252 K264	L129-L266 HydrophobicContact CD1-CD1 3.57Å; L129-L266 HydrophobicContact CD2-CD1 3.71Å; L129-L266 HydrophobicContact CG-CD1 4.28Å; I238-L266 HydrophobicContact CD1-CD1 4.08Å; L250-L266 HydrophobicContact CB-CB 4.49Å; L250-L266 HydrophobicContact CD2-CD1 4.07Å; L250-L266 HydrophobicContact CG-CD1 4.26Å; L250-L266 WeakPolarHBondContact O-CB 3.38Å; L250-L266 PolarHBondContact O-N 2.99Å; Q252-L266 HydrophobicContact CB-CD1 4.05Å; Q252-L266 HydrophobicContact CB-CD2 4.12Å; Q252-L266 HydrophobicContact CB-CG 4.12Å; K264-L266 HydrophobicContact CD-CD2 4.42Å; K264-L266 HydrophobicContact CG-CD2 4.21Å
267	M	95.8	Very high	96.7	Very high	61 Å²	61	71.4 Å²	71.4	30%	0.3	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	156.2	-174.7	60	-174.6	-178.5	0	0	112.1	M122 Y125 L250 V269	M122-M267 HydrophobicContact CE-CE 4.31Å; Y125-M267 HydrophobicContact CD2-CE 3.68Å; Y125-M267 HydrophobicContact CE2-CE 4.11Å; Y125-M267 HydrophobicContact CG-CE 3.98Å; L250-M267 HydrophobicContact CB-CG 4.25Å; L250-M267 HydrophobicContact CD2-CE 3.63Å; L250-M267 HydrophobicContact CD2-CG 4.4Å; L250-M267 PolarHBondContact N-O 3.46Å; M267-V269 HydrophobicContact CE-CG1 4.15Å; M267-V269 HydrophobicContact CG-CG1 4.04Å
268	G	96.4	Very high	96.6	Very high	61 Å²	61	68 Å²	68	63%	0.629	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.1	138.3	171.3	0	0	0	0	0	111.6	Q248	Q248-G268 WeakPolarHBondContact O-CA 3.24Å
269	V	95.6	Very high	96.5	Very high	17 Å²	17	69 Å²	69	10%	0.103	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	170.3	-176.3	-66.9	0	0	0	0	111.8	M122 P240 Q248 L250 M267 Y271	M122-V269 HydrophobicContact CE-CG1 3.99Å; P240-V269 HydrophobicContact CB-CG2 3.95Å; Q248-V269 HydrophobicContact CB-CG2 4.22Å; Q248-V269 WeakPolarHBondContact CB-O 3.26Å; Q248-V269 PolarHBondContact O-N 3.23Å; L250-V269 HydrophobicContact CB-CG1 3.79Å; L250-V269 HydrophobicContact CB-CG2 3.96Å; M267-V269 HydrophobicContact CE-CG1 4.15Å; M267-V269 HydrophobicContact CG-CG1 4.04Å; V269-Y271 HydrophobicContact CB-CD2 3.86Å; V269-Y271 HydrophobicContact CB-CE2 3.78Å; V269-Y271 HydrophobicContact CG1-CE2 4.19Å; V269-Y271 HydrophobicContact CG2-CD2 3.7Å; V269-Y271 HydrophobicContact CG2-CE2 3.81Å
270	I	93.9	Very high	96.5	Very high	162 Å²	162	68.4 Å²	68.4	83%	0.831	36%	0.364	S	S	*	.			trans	-133.1	116.9	172.3	-58.4	176.4	0	0	0	108.3
271	Y	94.4	Very high	96.3	Very high	25 Å²	25	69.2 Å²	69.2	10%	0.098	36%	0.359	C	S	.	.			trans	-129.7	157.6	179.5	-82.2	-105.7	0	0	0	110.6	M122 G217 P240 Q248 L250 V269	M122-Y271 HydrophobicContact CE-CE2 3.5Å; M122-Y271 WeakPolarHBondContact CE-OH 3.38Å; G217-Y271 WeakPolarHBondContact O-CD1 3.49Å; P240-Y271 HydrophobicContact CB-CD2 3.87Å; P240-Y271 HydrophobicContact CB-CE2 4.37Å; P240-Y271 HydrophobicContact CB-CG 4.1Å; P240-Y271 HydrophobicContact CG-CD1 3.74Å; P240-Y271 HydrophobicContact CG-CD2 3.62Å; P240-Y271 HydrophobicContact CG-CE1 4.1Å; P240-Y271 HydrophobicContact CG-CE2 4Å; P240-Y271 HydrophobicContact CG-CG 3.47Å; P240-Y271 VanDerWaalsContact CG-CG 3.47Å; Q248-Y271 PolarHBondContact NE2-O 2.96Å; Q248-Y271 VanDerWaalsContact NE2-O 3.13Å; L250-Y271 HydrophobicContact CD1-CE2 4.45Å; V269-Y271 HydrophobicContact CB-CD2 3.86Å; V269-Y271 HydrophobicContact CB-CE2 3.78Å; V269-Y271 HydrophobicContact CG1-CE2 4.19Å; V269-Y271 HydrophobicContact CG2-CD2 3.7Å; V269-Y271 HydrophobicContact CG2-CE2 3.81Å
272	V	94.3	Very high	95.8	Very high	43 Å²	43	68.8 Å²	68.8	26%	0.261	36%	0.359	S	S	.	.			trans	-62.3	150.1	167.6	-62.7	0	0	0	0	110.3	A218 A219	A218-V272 CarbonylContact C-O 3.59Å; A218-V272 WeakPolarHBondContact CA-O 3.39Å; A218-V272 HydrophobicContact CB-CG2 4.12Å; A218-V272 WeakPolarHBondContact CB-O 3.31Å; A219-V272 PolarHBondContact N-O 3.12Å
273	P	96.2	Very high	94.9	Very high	49 Å²	49	70.8 Å²	70.8	32%	0.318	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-70.6	136.8	-177.3	-19.2	33.2	0	0	0	113.4	A244 T275	A244-P273 HydrophobicContact CB-CB 3.95Å; A244-P273 HydrophobicContact CB-CG 3.64Å; P273-T275 HydrophobicContact CB-CG2 4.22Å; P273-T275 PolarHBondContact O-N 3.37Å
274	L	96.8	Very high	93.7	Very high	20 Å²	20	77.6 Å²	77.6	11%	0.105	38%	0.384	C	S	.	.			trans	-80.7	99.5	162.7	-175.2	68.5	0	0	0	107.9	V143 R202 V216 A218 A219 A220 P224	V143-L274 HydrophobicContact CG1-CD1 4.16Å; R202-L274 HydrophobicContact CG-CD1 4.28Å; R202-L274 HydrophobicContact CG-CD2 3.74Å; R202-L274 HydrophobicContact CG-CG 3.8Å; V216-L274 HydrophobicContact CG1-CD2 4.02Å; A218-L274 HydrophobicContact CB-CB 3.77Å; A218-L274 HydrophobicContact CB-CD1 4.18Å; A219-L274 WeakPolarHBondContact O-CB 3.32Å; A219-L274 PolarHBondContact O-N 2.9Å; A220-L274 HydrophobicContact CB-CB 4.34Å; A220-L274 HydrophobicContact CB-CD2 3.86Å; P224-L274 HydrophobicContact CG-CD2 4.13Å
275	T	96.8	Very high	91.5	Very high	28 Å²	28	82.7 Å²	82.7	17%	0.172	41%	0.406	C	S	.	.			trans	-140.6	175.9	-165.9	-173.6	0	0	0	0	111.7	H169 P273 K277 K279 Q280	H169-T275 PolarHBondContact CE1-O 3.48Å; H169-T275 VanDerWaalsContact CE1-O 3.26Å; H169-T275 PolarHBondContact ND1-O 3.28Å; P273-T275 HydrophobicContact CB-CG2 4.22Å; P273-T275 PolarHBondContact O-N 3.37Å; T275-K277 PolarHBondContact O-N 3.23Å; T275-K279 HydrophobicContact CG2-CB 4.25Å; T275-K279 VanDerWaalsContact OG1-CD 3.28Å; T275-K279 WeakPolarHBondContact OG1-CD 3.44Å; T275-Q280 HydrophobicContact CG2-CB 4.2Å
276	D	96.8	Very high	91.2	Very high	57 Å²	57	82.8 Å²	82.8	31%	0.305	40%	0.4	S	S	.	.			trans	-60.2	135.2	170.3	-51.2	-50.7	0	0	0	110.6	R202 E278 K279 Q280	R202-D276 IonicContact CZ-OD1 3.34Å; R202-D276 VanDerWaalsContact CZ-OD1 3.31Å; R202-D276 IonicContact NH1-OD1 3.86Å; R202-D276 PolarHBondContact NH1-OD1 3.23Å; R202-D276 IonicContact NH2-OD1 2.76Å; R202-D276 PolarHBondContact NH2-OD1 3.2Å; D276-E278 PolarHBondContact O-N 3.07Å; D276-E278 VanDerWaalsContact O-N 3.12Å; D276-K279 HydrophobicContact CB-CD 4.2Å; D276-K279 HydrophobicContact CB-CG 4.37Å; D276-K279 WeakPolarHBondContact O-CB 3.36Å; D276-K279 PolarHBondContact O-N 3.42Å; D276-K279 WeakPolarHBondContact OD2-CE 3.24Å; D276-K279 IonicContact OD2-NZ 2.81Å; D276-K279 PolarHBondContact OD2-NZ 3.1Å; D276-Q280 PolarHBondContact O-N 3.29Å
277	K	95.8	Very high	90.8	Very high	89 Å²	89	84.1 Å²	84.1	39%	0.387	41%	0.405	S	S	.	.	H	α-helix	trans	-43	-47.8	176.1	176.8	174.7	178.8	-95.6	0	113.4	H169 I170 T275 K279 Q280 W281	H169-K277 HydrophobicContact CB-CB 4.49Å; H169-K277 WeakPolarHBondContact ND1-CA 3.44Å; H169-K277 PolarHBondContact ND1-N 3.17Å; H169-K277 WeakPolarHBondContact O-CD 3.46Å; I170-K277 HydrophobicContact CD1-CG 3.94Å; T275-K277 PolarHBondContact O-N 3.23Å; K277-K279 VanDerWaalsContact C-N 3.25Å; K277-K279 PolarHBondContact O-N 2.93Å; K277-Q280 PolarHBondContact O-N 2.91Å; K277-Q280 VanDerWaalsContact O-N 3.12Å; K277-W281 PolarHBondContact O-N 2.91Å
278	E	95.8	Very high	90.6	Very high	82 Å²	82	85.4 Å²	85.4	38%	0.383	41%	0.411	S	S	.	.	H	α-helix	trans	-66.1	-24.4	-177.3	-61.1	-63.8	124	0	0	113.5	D276 S282 K285	D276-E278 PolarHBondContact O-N 3.07Å; D276-E278 VanDerWaalsContact O-N 3.12Å; E278-S282 WeakPolarHBondContact O-CB 3.45Å; E278-K285 WeakPolarHBondContact OE2-CE 3.5Å; E278-K285 IonicContact OE2-NZ 3.98Å; E278-K285 PolarHBondContact OE2-NZ 3.41Å
279	K	95.4	Very high	90.2	Very high	146 Å²	146	86.8 Å²	86.8	64%	0.635	40%	0.398	S	S	*	.	H	α-helix	trans	-77.8	-30.8	174.5	-72.1	171.6	176.6	155.3	0	112	T275 D276 K277	T275-K279 HydrophobicContact CG2-CB 4.25Å; T275-K279 VanDerWaalsContact OG1-CD 3.28Å; T275-K279 WeakPolarHBondContact OG1-CD 3.44Å; D276-K279 HydrophobicContact CB-CD 4.2Å; D276-K279 HydrophobicContact CB-CG 4.37Å; D276-K279 WeakPolarHBondContact O-CB 3.36Å; D276-K279 PolarHBondContact O-N 3.42Å; D276-K279 WeakPolarHBondContact OD2-CE 3.24Å; D276-K279 IonicContact OD2-NZ 2.81Å; D276-K279 PolarHBondContact OD2-NZ 3.1Å; K277-K279 VanDerWaalsContact C-N 3.25Å; K277-K279 PolarHBondContact O-N 2.93Å
280	Q	96	Very high	89.9	Confident	24 Å²	24	91.2 Å²	91.2	11%	0.112	42%	0.417	C	S	.	.	H	α-helix	trans	-83.8	-43.8	178	-177.3	-178.5	-31.8	0	0	111.7	F113 Q114 H169 T275 D276 K277	F113-Q280 WeakPolarHBondContact O-CG 3.27Å; F113-Q280 PolarHBondContact O-NE2 2.84Å; Q114-Q280 HydrophobicContact CB-CG 4.19Å; Q114-Q280 PolarHBondContact NE2-O 3.16Å; H169-Q280 PolarHBondContact CE1-OE1 3.17Å; H169-Q280 PolarHBondContact NE2-OE1 2.9Å; T275-Q280 HydrophobicContact CG2-CB 4.2Å; D276-Q280 PolarHBondContact O-N 3.29Å; K277-Q280 PolarHBondContact O-N 2.91Å; K277-Q280 VanDerWaalsContact O-N 3.12Å
281	W	94.6	Very high	89.6	Confident	66 Å²	66	86.5 Å²	86.5	25%	0.25	39%	0.389	C	S	.	.			trans	-149.2	102	-172.9	-167.9	-111.6	0	0	0	112.7	F113 Q114 I170 K277 R283	F113-W281 HydrophobicContact CB-CD2 4.3Å; F113-W281 HydrophobicContact CB-CG 4.39Å; F113-W281 AromaticContact CD1-CD1 3.8Å; F113-W281 HydrophobicContact CD1-CD2 4Å; F113-W281 AromaticContact CD1-CE2 3.57Å; F113-W281 HydrophobicContact CD1-CG 4.14Å; F113-W281 HydrophobicContact CD1-CZ2 4.03Å; F113-W281 AromaticContact CD1-NE1 3.42Å; F113-W281 HydrophobicContact CE1-CZ2 4.37Å; F113-W281 AromaticContact CE1-NE1 3.86Å; Q114-W281 HydrophobicContact CG-CE3 4.23Å; Q114-W281 HydrophobicContact CG-CZ3 4.44Å; I170-W281 HydrophobicContact CD1-CB 4.01Å; K277-W281 PolarHBondContact O-N 2.91Å; W281-R283 HydrophobicContact CZ2-CB 4.16Å; W281-R283 HydrophobicContact CZ2-CG 4.15Å
282	S	88.3	Confident	89.3	Confident	52 Å²	52	90.9 Å²	90.9	36%	0.364	41%	0.41	S	S	.	.			trans	-117.9	56.8	179.2	63.8	0	0	0	0	111.9	E278 W284 K285	E278-S282 WeakPolarHBondContact O-CB 3.45Å; S282-W284 PolarHBondContact O-N 3.13Å; S282-K285 PolarHBondContact O-N 3.49Å; S282-K285 VanDerWaalsContact O-N 3.17Å
283	R	77.7	Confident	88.9	Confident	170 Å²	170	94.5 Å²	94.5	64%	0.642	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-27.7	-168.6	-170.4	177.6	176.3	144.5	0.9	115.8	W281	W281-R283 HydrophobicContact CZ2-CB 4.16Å; W281-R283 HydrophobicContact CZ2-CG 4.15Å
284	W	73.4	Confident	88.3	Confident	242 Å²	242	98.3 Å²	98.3	92%	0.917	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.9	11.7	-174.6	-50.6	-26.7	0	0	0	113.9	S282	S282-W284 PolarHBondContact O-N 3.13Å
285	K	51.7	Low	87.5	Confident	204 Å²	204	105.5 Å²	105.5	89%	0.887	46%	0.459	S	S	*	.			trans	-101.5	0	164.3	-74.6	177.9	175.8	159.1	0	108.5	E278 S282	E278-K285 WeakPolarHBondContact OE2-CE 3.5Å; E278-K285 IonicContact OE2-NZ 3.98Å; E278-K285 PolarHBondContact OE2-NZ 3.41Å; S282-K285 PolarHBondContact O-N 3.49Å; S282-K285 VanDerWaalsContact O-N 3.17Å

Retrieved 285 of 285 residues in 693.7 ms (Link to these results)

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