A0A087YBN9_POEFO Loading...

Protein-L-isoaspartate(D-aspartate) O-methyltransferase

AlphaFold DB , UniProt , Accession A0A087YBN9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 270 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.2	Very low	48.1	Very low	248 Å²	248	117.5 Å²	117.5	100%	1.222	77%	0.771	S	S	*	*				0	118.3	0	-69.6	176.5	157.2	0	0	105.4
2	S	39.5	Very low	48.6	Very low	121 Å²	121	115.8 Å²	115.8	85%	0.846	76%	0.759	S	S	*	*			cis	-156.4	136.9	29.9	38.4	0	0	0	0	108
3	G	38.5	Very low	49.5	Very low	74 Å²	74	117.8 Å²	117.8	76%	0.763	76%	0.758	S	S	*	*			trans	-86.2	133.6	175.4	0	0	0	0	0	111.3
4	D	42.5	Very low	50.7	Low	175 Å²	175	117.8 Å²	117.8	94%	0.936	74%	0.743	S	S	*	*			trans	-77.6	118.6	168.7	-102.3	-30.6	0	0	0	109.5
5	V	44.7	Very low	51.4	Low	135 Å²	135	113.8 Å²	113.8	82%	0.818	72%	0.717	S	S	*	*			trans	-101.7	104.1	171.8	-178.5	0	0	0	0	107.4	A7	V5-A7 PolarHBondContact O-N 3.22Å; V5-A7 VanDerWaalsContact O-N 3.14Å
6	S	46.3	Very low	51.9	Low	115 Å²	115	110.1 Å²	110.1	80%	0.804	69%	0.692	S	S	*	*			trans	-64.5	106.7	166.7	170.4	0	0	0	0	109	A8	S6-A8 PolarHBondContact O-N 3.35Å
7	A	50.9	Low	52.5	Low	87 Å²	87	107.2 Å²	107.2	72%	0.719	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-64.3	128	174.8	0	0	0	0	0	110.8	V5	V5-A7 PolarHBondContact O-N 3.22Å; V5-A7 VanDerWaalsContact O-N 3.14Å
8	A	50.5	Low	52.9	Low	86 Å²	86	109.2 Å²	109.2	71%	0.711	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-65.2	145.7	170.8	0	0	0	0	0	110.3	S6	S6-A8 PolarHBondContact O-N 3.35Å
9	P	55.8	Low	53.1	Low	118 Å²	118	106.2 Å²	106.2	77%	0.766	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-62.4	143.6	176	25.6	-32.3	0	0	0	110.4
10	P	57.9	Low	53.2	Low	86 Å²	86	102.9 Å²	102.9	56%	0.558	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-62.5	143.3	-176	25	-33.5	0	0	0	111.3	E14 V15	P10-E14 HydrophobicContact CB-CB 4.15Å; P10-V15 HydrophobicContact CB-CG2 4.07Å; P10-V15 HydrophobicContact CG-CG2 3.85Å
11	S	60.3	Low	53.6	Low	48 Å²	48	106.2 Å²	106.2	34%	0.336	65%	0.646	S	S	.	*	P	Polyproline II helix	trans	-64.4	155.3	175.9	65.9	0	0	0	0	111.1	L13 E14 V15	S11-L13 PolarHBondContact O-N 3.45Å; S11-L13 VanDerWaalsContact O-N 3.08Å; S11-E14 PolarHBondContact N-OE2 3.48Å; S11-E14 PolarHBondContact O-N 2.89Å; S11-E14 WeakPolarHBondContact OG-CG 3.41Å; S11-E14 PolarHBondContact OG-N 2.8Å; S11-E14 PolarHBondContact OG-OE2 3.17Å; S11-V15 PolarHBondContact O-N 3.38Å; S11-V15 VanDerWaalsContact O-N 3.14Å
12	P	53.9	Low	54.2	Low	96 Å²	96	98.8 Å²	98.8	62%	0.623	62%	0.615	S	S	*	*	H	α-helix	trans	-54.3	-32	178.4	-27.2	34.9	0	0	0	113.7	V16	P12-V16 VanDerWaalsContact O-CG2 3.23Å; P12-V16 WeakPolarHBondContact O-CG2 3.5Å; P12-V16 PolarHBondContact O-N 3.33Å; P12-V16 VanDerWaalsContact O-N 3.08Å
13	L	59.8	Low	54.9	Low	143 Å²	143	96.5 Å²	96.5	75%	0.749	60%	0.595	S	S	*	*	H	α-helix	trans	-70.7	-35.9	177.8	-70.4	171.7	0	0	0	112.6	S11 S17	S11-L13 PolarHBondContact O-N 3.45Å; S11-L13 VanDerWaalsContact O-N 3.08Å; L13-S17 WeakPolarHBondContact O-CB 3.48Å; L13-S17 PolarHBondContact O-N 2.59Å
14	E	67	Low	55.7	Low	117 Å²	117	95.7 Å²	95.7	55%	0.547	59%	0.587	S	S	.	*	H	α-helix	trans	-70.6	-38.7	176.5	-72.7	166.9	139.6	0	0	111.5	P10 S11 S17 F18	P10-E14 HydrophobicContact CB-CB 4.15Å; S11-E14 PolarHBondContact N-OE2 3.48Å; S11-E14 PolarHBondContact O-N 2.89Å; S11-E14 WeakPolarHBondContact OG-CG 3.41Å; S11-E14 PolarHBondContact OG-N 2.8Å; S11-E14 PolarHBondContact OG-OE2 3.17Å; E14-S17 PolarHBondContact O-N 2.75Å; E14-F18 WeakPolarHBondContact O-CB 3.3Å; E14-F18 PolarHBondContact O-N 2.99Å
15	V	61.1	Low	56.4	Low	58 Å²	58	91.4 Å²	91.4	35%	0.352	58%	0.576	S	S	.	*	H	α-helix	trans	-64.5	-43.3	175	179.6	0	0	0	0	111.1	P10 S11 F18 I19	P10-V15 HydrophobicContact CB-CG2 4.07Å; P10-V15 HydrophobicContact CG-CG2 3.85Å; S11-V15 PolarHBondContact O-N 3.38Å; S11-V15 VanDerWaalsContact O-N 3.14Å; V15-F18 PolarHBondContact O-N 2.95Å; V15-I19 HydrophobicContact CG1-CD1 3.9Å; V15-I19 VanDerWaalsContact O-CG1 3.3Å; V15-I19 WeakPolarHBondContact O-CG1 3.23Å; V15-I19 PolarHBondContact O-N 3.31Å
16	V	58.9	Low	57.1	Low	54 Å²	54	87.4 Å²	87.4	33%	0.327	56%	0.562	S	S	.	*	H	α-helix	trans	-65.3	-41.3	176.5	170.8	0	0	0	0	111.4	P12 F18 I19 G20	P12-V16 VanDerWaalsContact O-CG2 3.23Å; P12-V16 WeakPolarHBondContact O-CG2 3.5Å; P12-V16 PolarHBondContact O-N 3.33Å; P12-V16 VanDerWaalsContact O-N 3.08Å; V16-F18 PolarHBondContact O-N 3.3Å; V16-I19 PolarHBondContact O-N 2.88Å; V16-G20 PolarHBondContact O-N 2.9Å
17	S	62.4	Low	57.7	Low	62 Å²	62	83.9 Å²	83.9	43%	0.434	54%	0.54	S	S	.	.	H	α-helix	trans	-62.1	-41.7	176	-174.7	0	0	0	0	112.2	L13 E14 G20 K21	L13-S17 WeakPolarHBondContact O-CB 3.48Å; L13-S17 PolarHBondContact O-N 2.59Å; E14-S17 PolarHBondContact O-N 2.75Å; S17-G20 PolarHBondContact O-N 3.43Å; S17-K21 WeakPolarHBondContact O-CG 3.18Å; S17-K21 PolarHBondContact O-N 2.78Å
18	F	60.6	Low	58.2	Low	143 Å²	143	80.5 Å²	80.5	63%	0.627	51%	0.512	S	S	*	.	H	α-helix	trans	-67.6	-42.4	179.5	-172.2	-98	0	0	0	112.4	E14 V15 V16 G20 K21 T22	E14-F18 WeakPolarHBondContact O-CB 3.3Å; E14-F18 PolarHBondContact O-N 2.99Å; V15-F18 PolarHBondContact O-N 2.95Å; V16-F18 PolarHBondContact O-N 3.3Å; F18-G20 VanDerWaalsContact C-N 3.34Å; F18-K21 PolarHBondContact O-N 3.02Å; F18-T22 PolarHBondContact O-N 3.02Å; F18-T22 PolarHBondContact O-OG1 3.13Å
19	I	56.6	Low	58.9	Low	52 Å²	52	82 Å²	82	27%	0.267	51%	0.507	S	S	.	.	H	α-helix	trans	-66.3	-38.2	176.2	-66.3	169.2	0	0	0	110.7	V15 V16 K21 T22 V23	V15-I19 HydrophobicContact CG1-CD1 3.9Å; V15-I19 VanDerWaalsContact O-CG1 3.3Å; V15-I19 WeakPolarHBondContact O-CG1 3.23Å; V15-I19 PolarHBondContact O-N 3.31Å; V16-I19 PolarHBondContact O-N 2.88Å; I19-K21 VanDerWaalsContact C-N 3.25Å; I19-K21 PolarHBondContact O-N 3.06Å; I19-T22 PolarHBondContact O-N 3.31Å; I19-T22 PolarHBondContact O-OG1 2.73Å; I19-V23 PolarHBondContact O-N 2.96Å
20	G	54.7	Low	59.5	Low	39 Å²	39	81 Å²	81	40%	0.402	50%	0.499	S	S	.	.	H	α-helix	trans	-63.6	-25.2	175.3	0	0	0	0	0	115	V16 S17 F18	V16-G20 PolarHBondContact O-N 2.9Å; S17-G20 PolarHBondContact O-N 3.43Å; F18-G20 VanDerWaalsContact C-N 3.34Å
21	K	60.5	Low	60	Low	173 Å²	173	78.4 Å²	78.4	75%	0.752	49%	0.485	S	S	*	.	H	α-helix	trans	-85.2	-19.8	176.5	-72.8	176.5	-178.4	177.7	0	113.7	S17 F18 I19	S17-K21 WeakPolarHBondContact O-CG 3.18Å; S17-K21 PolarHBondContact O-N 2.78Å; F18-K21 PolarHBondContact O-N 3.02Å; I19-K21 VanDerWaalsContact C-N 3.25Å; I19-K21 PolarHBondContact O-N 3.06Å
22	T	55.6	Low	60.5	Low	93 Å²	93	77.2 Å²	77.2	57%	0.571	48%	0.478	S	S	*	.	H	α-helix	trans	-109.9	-22.3	-172.3	43.8	0	0	0	0	113.6	F18 I19	F18-T22 PolarHBondContact O-N 3.02Å; F18-T22 PolarHBondContact O-OG1 3.13Å; I19-T22 PolarHBondContact O-N 3.31Å; I19-T22 PolarHBondContact O-OG1 2.73Å
23	V	53.8	Low	61.2	Low	72 Å²	72	76 Å²	76	44%	0.436	47%	0.468	S	S	.	.	S	Bend	trans	-130.9	132.6	179.3	-158.7	0	0	0	0	108.9	I19 A27	I19-V23 PolarHBondContact O-N 2.96Å; V23-A27 HydrophobicContact CB-CB 3.88Å; V23-A27 HydrophobicContact CG1-CB 3.26Å
24	G	56	Low	61.8	Low	57 Å²	57	75.3 Å²	75.3	59%	0.588	46%	0.457	S	S	*	.			trans	-48.4	149.6	-175.3	0	0	0	0	0	113.1	G26 A27	G24-G26 PolarHBondContact O-N 2.75Å; G24-A27 PolarHBondContact O-N 2.86Å
25	A	58.1	Low	61.7	Low	86 Å²	86	73 Å²	73	71%	0.711	45%	0.448	S	S	*	.	H	α-helix	trans	-43.9	-30.3	-167.7	0	0	0	0	0	116	L29	A25-L29 WeakPolarHBondContact O-CB 3.41Å; A25-L29 PolarHBondContact O-N 3.09Å; A25-L29 VanDerWaalsContact O-N 3.13Å
26	G	57.5	Low	61.8	Low	50 Å²	50	75.7 Å²	75.7	52%	0.515	46%	0.459	S	S	.	.	H	α-helix	trans	-64.6	-39.1	175.1	0	0	0	0	0	115.3	G24 T30	G24-G26 PolarHBondContact O-N 2.75Å; G26-T30 PolarHBondContact O-N 3.17Å; G26-T30 VanDerWaalsContact O-N 3.16Å; G26-T30 PolarHBondContact O-OG1 3.15Å
27	A	60.3	Low	61.6	Low	42 Å²	42	81.7 Å²	81.7	35%	0.347	48%	0.476	S	S	.	.	H	α-helix	trans	-75.4	-36.9	179.9	0	0	0	0	0	112.1	V23 G24 L29 T30 A31	V23-A27 HydrophobicContact CB-CB 3.88Å; V23-A27 HydrophobicContact CG1-CB 3.26Å; G24-A27 PolarHBondContact O-N 2.86Å; A27-L29 VanDerWaalsContact C-N 3.35Å; A27-T30 PolarHBondContact O-N 2.93Å; A27-A31 WeakPolarHBondContact O-CB 3.42Å; A27-A31 PolarHBondContact O-N 3.02Å
28	A	60.2	Low	61	Low	15 Å²	15	83.9 Å²	83.9	12%	0.124	48%	0.478	C	S	.	.	H	α-helix	trans	-64.2	-39.6	174.3	0	0	0	0	0	111.9	A32	A28-A32 VanDerWaalsContact O-CB 3.29Å; A28-A32 WeakPolarHBondContact O-CB 3.35Å; A28-A32 PolarHBondContact O-N 2.69Å
29	L	65.1	Low	60.8	Low	118 Å²	118	80.6 Å²	80.6	62%	0.618	47%	0.47	S	S	*	.	H	α-helix	trans	-64.5	-41	174.7	-168.6	71.3	0	0	0	111.7	A25 A27 A32 V33	A25-L29 WeakPolarHBondContact O-CB 3.41Å; A25-L29 PolarHBondContact O-N 3.09Å; A25-L29 VanDerWaalsContact O-N 3.13Å; A27-L29 VanDerWaalsContact C-N 3.35Å; L29-A32 PolarHBondContact O-N 3.22Å; L29-V33 WeakPolarHBondContact O-CB 3.1Å; L29-V33 VanDerWaalsContact O-CG2 3.25Å; L29-V33 WeakPolarHBondContact O-CG2 3.35Å; L29-V33 PolarHBondContact O-N 3.38Å
30	T	69.6	Low	60.5	Low	98 Å²	98	82.2 Å²	82.2	60%	0.601	48%	0.484	S	S	*	.	H	α-helix	trans	-68.3	-41.9	179.4	-53.6	0	0	0	0	111.4	G26 A27 V33 Y34	G26-T30 PolarHBondContact O-N 3.17Å; G26-T30 VanDerWaalsContact O-N 3.16Å; G26-T30 PolarHBondContact O-OG1 3.15Å; A27-T30 PolarHBondContact O-N 2.93Å; T30-V33 PolarHBondContact O-N 2.93Å; T30-Y34 VanDerWaalsContact O-CB 3.32Å; T30-Y34 WeakPolarHBondContact O-CB 3.43Å; T30-Y34 PolarHBondContact O-N 3.25Å
31	A	67.9	Low	60.3	Low	31 Å²	31	86.7 Å²	86.7	26%	0.256	50%	0.498	S	S	.	.	H	α-helix	trans	-63.5	-42.3	174.1	0	0	0	0	0	111.8	A27 Y34 L35	A27-A31 WeakPolarHBondContact O-CB 3.42Å; A27-A31 PolarHBondContact O-N 3.02Å; A31-Y34 PolarHBondContact O-N 2.64Å; A31-L35 WeakPolarHBondContact O-CB 3.31Å; A31-L35 WeakPolarHBondContact O-CD1 3.19Å; A31-L35 PolarHBondContact O-N 3.21Å
32	A	69.9	Low	59.8	Low	23 Å²	23	85 Å²	85	19%	0.19	50%	0.496	C	S	.	.	H	α-helix	trans	-63.8	-44.7	176.5	0	0	0	0	0	112	A28 L29 Y34 L35 L36	A28-A32 VanDerWaalsContact O-CB 3.29Å; A28-A32 WeakPolarHBondContact O-CB 3.35Å; A28-A32 PolarHBondContact O-N 2.69Å; L29-A32 PolarHBondContact O-N 3.22Å; A32-Y34 VanDerWaalsContact C-N 3.34Å; A32-Y34 PolarHBondContact O-N 3.47Å; A32-L35 PolarHBondContact O-N 3.33Å; A32-L36 VanDerWaalsContact O-CB 3.3Å; A32-L36 WeakPolarHBondContact O-CB 3.34Å; A32-L36 WeakPolarHBondContact O-CD1 3.42Å; A32-L36 PolarHBondContact O-N 3.45Å
33	V	68.9	Low	59.3	Low	69 Å²	69	87.1 Å²	87.1	42%	0.418	50%	0.501	S	S	.	.	H	α-helix	trans	-64.1	-39.3	175.8	171.7	0	0	0	0	111.3	L29 T30 L36 R37	L29-V33 WeakPolarHBondContact O-CB 3.1Å; L29-V33 VanDerWaalsContact O-CG2 3.25Å; L29-V33 WeakPolarHBondContact O-CG2 3.35Å; L29-V33 PolarHBondContact O-N 3.38Å; T30-V33 PolarHBondContact O-N 2.93Å; V33-L36 PolarHBondContact O-N 3.37Å; V33-R37 WeakPolarHBondContact O-CB 3.35Å; V33-R37 WeakPolarHBondContact O-CG 3.49Å; V33-R37 PolarHBondContact O-N 3.3Å
34	Y	73.4	Confident	59.4	Low	130 Å²	130	86.8 Å²	86.8	51%	0.51	51%	0.506	S	S	.	.	H	α-helix	trans	-65.4	-44.4	175.8	178.9	-96.8	0	0	0	112.2	T30 A31 A32 R37 K38	T30-Y34 VanDerWaalsContact O-CB 3.32Å; T30-Y34 WeakPolarHBondContact O-CB 3.43Å; T30-Y34 PolarHBondContact O-N 3.25Å; A31-Y34 PolarHBondContact O-N 2.64Å; A32-Y34 VanDerWaalsContact C-N 3.34Å; A32-Y34 PolarHBondContact O-N 3.47Å; Y34-R37 PolarHBondContact O-N 2.96Å; Y34-K38 HydrophobicContact CD1-CD 4.49Å; Y34-K38 HydrophobicContact CE1-CD 3.72Å; Y34-K38 HydrophobicContact CE1-CG 4.32Å; Y34-K38 PolarHBondContact O-N 3.05Å; Y34-K38 WeakPolarHBondContact OH-CE 3.11Å; Y34-K38 PolarHBondContact OH-NZ 2.8Å
35	L	65.4	Low	59.9	Low	69 Å²	69	92.9 Å²	92.9	36%	0.361	51%	0.511	S	S	.	.	H	α-helix	trans	-64.2	-44.2	174.4	-98.6	124.7	0	0	0	111.5	A31 A32 R37 K38 V39	A31-L35 WeakPolarHBondContact O-CB 3.31Å; A31-L35 WeakPolarHBondContact O-CD1 3.19Å; A31-L35 PolarHBondContact O-N 3.21Å; A32-L35 PolarHBondContact O-N 3.33Å; L35-R37 PolarHBondContact O-N 2.87Å; L35-K38 PolarHBondContact O-N 3.15Å; L35-V39 WeakPolarHBondContact O-CB 3.32Å; L35-V39 WeakPolarHBondContact O-CG2 3.43Å; L35-V39 PolarHBondContact O-N 2.72Å
36	L	63.1	Low	61	Low	113 Å²	113	94.6 Å²	94.6	59%	0.592	50%	0.503	S	S	*	.	H	α-helix	trans	-60.3	-42.8	174.4	-92.6	149.1	0	0	0	111.8	A32 V33 V39 C40	A32-L36 VanDerWaalsContact O-CB 3.3Å; A32-L36 WeakPolarHBondContact O-CB 3.34Å; A32-L36 WeakPolarHBondContact O-CD1 3.42Å; A32-L36 PolarHBondContact O-N 3.45Å; V33-L36 PolarHBondContact O-N 3.37Å; L36-V39 PolarHBondContact O-N 2.82Å; L36-C40 WeakPolarHBondContact O-CB 3.12Å; L36-C40 PolarHBondContact O-N 2.89Å
37	R	53	Low	62.4	Low	181 Å²	181	93.4 Å²	93.4	68%	0.683	49%	0.486	S	S	*	.	H	α-helix	trans	-62.4	-45.3	173.8	-81.6	-177.2	172.1	-171.4	-1.7	111.7	V33 Y34 L35 C40 L41	V33-R37 WeakPolarHBondContact O-CB 3.35Å; V33-R37 WeakPolarHBondContact O-CG 3.49Å; V33-R37 PolarHBondContact O-N 3.3Å; Y34-R37 PolarHBondContact O-N 2.96Å; L35-R37 PolarHBondContact O-N 2.87Å; R37-C40 PolarHBondContact O-N 3.02Å; R37-L41 WeakPolarHBondContact O-CB 3.09Å; R37-L41 WeakPolarHBondContact O-CD1 3.31Å; R37-L41 WeakPolarHBondContact O-CG 3.29Å; R37-L41 PolarHBondContact O-N 2.94Å
38	K	51.8	Low	63.9	Low	108 Å²	108	92.2 Å²	92.2	47%	0.47	48%	0.478	S	S	.	.	H	α-helix	trans	-64.1	-41.3	176.2	-89.4	-164.1	163	178	0	112.4	Y34 L35 L41 I42	Y34-K38 HydrophobicContact CD1-CD 4.49Å; Y34-K38 HydrophobicContact CE1-CD 3.72Å; Y34-K38 HydrophobicContact CE1-CG 4.32Å; Y34-K38 PolarHBondContact O-N 3.05Å; Y34-K38 WeakPolarHBondContact OH-CE 3.11Å; Y34-K38 PolarHBondContact OH-NZ 2.8Å; L35-K38 PolarHBondContact O-N 3.15Å; K38-L41 WeakPolarHBondContact O-CB 3.38Å; K38-L41 PolarHBondContact O-N 2.84Å; K38-I42 WeakPolarHBondContact O-CB 3.28Å; K38-I42 WeakPolarHBondContact O-CD1 3.36Å; K38-I42 WeakPolarHBondContact O-CG1 3.32Å; K38-I42 PolarHBondContact O-N 2.9Å
39	V	54.6	Low	65.6	Low	74 Å²	74	92.4 Å²	92.4	45%	0.448	48%	0.481	S	S	.	.	H	α-helix	trans	-66.9	-43.2	176.7	172.5	0	0	0	0	110.4	L35 L36 L41 I42 M43	L35-V39 WeakPolarHBondContact O-CB 3.32Å; L35-V39 WeakPolarHBondContact O-CG2 3.43Å; L35-V39 PolarHBondContact O-N 2.72Å; L36-V39 PolarHBondContact O-N 2.82Å; V39-L41 VanDerWaalsContact C-N 3.31Å; V39-L41 PolarHBondContact O-N 2.87Å; V39-I42 CarbonylContact O-C 3.6Å; V39-I42 PolarHBondContact O-N 2.89Å; V39-I42 VanDerWaalsContact O-N 3.09Å; V39-M43 HydrophobicContact CG1-CG 4.14Å; V39-M43 WeakPolarHBondContact O-CB 3.33Å; V39-M43 WeakPolarHBondContact O-CG 3.39Å; V39-M43 PolarHBondContact O-N 3Å
40	C	50.3	Low	67.1	Low	85 Å²	85	90.8 Å²	90.8	57%	0.574	49%	0.485	S	S	*	.	H	α-helix	trans	-61.2	-36.6	172.2	-82.7	0	0	0	0	112.8	L36 R37 I42 M43 A44	L36-C40 WeakPolarHBondContact O-CB 3.12Å; L36-C40 PolarHBondContact O-N 2.89Å; R37-C40 PolarHBondContact O-N 3.02Å; C40-I42 VanDerWaalsContact C-N 3.35Å; C40-M43 PolarHBondContact O-N 3.47Å; C40-A44 PolarHBondContact O-N 2.86Å
41	L	51.5	Low	68.5	Low	134 Å²	134	88.6 Å²	88.6	70%	0.702	47%	0.474	S	S	*	.	H	α-helix	trans	-68.8	-31.2	173.1	-82.1	154.4	0	0	0	112.7	R37 K38 V39	R37-L41 WeakPolarHBondContact O-CB 3.09Å; R37-L41 WeakPolarHBondContact O-CD1 3.31Å; R37-L41 WeakPolarHBondContact O-CG 3.29Å; R37-L41 PolarHBondContact O-N 2.94Å; K38-L41 WeakPolarHBondContact O-CB 3.38Å; K38-L41 PolarHBondContact O-N 2.84Å; V39-L41 VanDerWaalsContact C-N 3.31Å; V39-L41 PolarHBondContact O-N 2.87Å
42	I	49.8	Very low	69.9	Low	136 Å²	136	87.8 Å²	87.8	70%	0.697	47%	0.465	S	S	*	.	H	α-helix	trans	-76.4	-27.6	174.1	-68.3	160.8	0	0	0	111.2	K38 V39 C40	K38-I42 WeakPolarHBondContact O-CB 3.28Å; K38-I42 WeakPolarHBondContact O-CD1 3.36Å; K38-I42 WeakPolarHBondContact O-CG1 3.32Å; K38-I42 PolarHBondContact O-N 2.9Å; V39-I42 CarbonylContact O-C 3.6Å; V39-I42 PolarHBondContact O-N 2.89Å; V39-I42 VanDerWaalsContact O-N 3.09Å; C40-I42 VanDerWaalsContact C-N 3.35Å
43	M	44.2	Very low	71.3	Confident	139 Å²	139	88.7 Å²	88.7	69%	0.685	47%	0.472	S	S	*	.	H	α-helix	trans	-91.7	-9.5	-178.5	-66.7	-69.6	-72	0	0	113.8	V39 C40	V39-M43 HydrophobicContact CG1-CG 4.14Å; V39-M43 WeakPolarHBondContact O-CB 3.33Å; V39-M43 WeakPolarHBondContact O-CG 3.39Å; V39-M43 PolarHBondContact O-N 3Å; C40-M43 PolarHBondContact O-N 3.47Å
44	A	57.3	Low	72.7	Confident	64 Å²	64	88.2 Å²	88.2	53%	0.529	47%	0.465	S	S	.	.	S	Bend	trans	-79.3	120.8	170.5	0	0	0	0	0	109.3	C40 K46	C40-A44 PolarHBondContact O-N 2.86Å; A44-K46 PolarHBondContact O-N 3.05Å
45	W	66.5	Low	73.9	Confident	185 Å²	185	82.1 Å²	82.1	70%	0.701	44%	0.442	S	S	*	.			trans	-64.9	123.9	177.4	-63.1	56.7	0	0	0	108.1	S47 N62	W45-S47 PolarHBondContact O-N 3.49Å; W45-N62 HydrophobicContact CE3-CB 3.74Å; W45-N62 VanDerWaalsContact CE3-OD1 3.27Å; W45-N62 HydrophobicContact CZ3-CB 4.19Å
46	K	81	Confident	75.5	Confident	123 Å²	123	78.9 Å²	78.9	54%	0.535	43%	0.425	S	S	.	.			trans	-81.6	112	173.7	-171.3	-171.4	178.6	-165.8	0	107.7	A44 G48 E54 N58 N62	A44-K46 PolarHBondContact O-N 3.05Å; K46-G48 WeakPolarHBondContact CE-O 3.36Å; K46-E54 IonicContact NZ-OE1 2.76Å; K46-E54 PolarHBondContact NZ-OE1 2.83Å; K46-N58 WeakPolarHBondContact O-CB 3.43Å; K46-N62 PolarHBondContact O-ND2 3.24Å; K46-N62 VanDerWaalsContact O-ND2 3.11Å
47	S	86	Confident	77.2	Confident	25 Å²	25	76.9 Å²	76.9	18%	0.175	42%	0.415	C	S	.	.			trans	-96.5	-30.8	175.1	-58.5	0	0	0	0	112.8	W45 L55 N62 D90	W45-S47 PolarHBondContact O-N 3.49Å; S47-L55 VanDerWaalsContact O-CD1 3.26Å; S47-L55 WeakPolarHBondContact O-CD1 3.35Å; S47-N62 PolarHBondContact OG-ND2 3.47Å; S47-D90 VanDerWaalsContact CB-CB 3.5Å; S47-D90 WeakPolarHBondContact CB-OD2 3.32Å
48	G	92.7	Very high	79.3	Confident	17 Å²	17	69.4 Å²	69.4	18%	0.175	39%	0.388	C	S	.	.			trans	-75.2	169.8	175	0	0	0	0	0	113.9	K46 N58 Y88	K46-G48 WeakPolarHBondContact CE-O 3.36Å; G48-N58 PolarHBondContact O-ND2 3.33Å; G48-Y88 CarbonylContact C-O 3.55Å; G48-Y88 VanDerWaalsContact CA-O 3.25Å; G48-Y88 WeakPolarHBondContact CA-O 3.36Å
49	G	95.6	Very high	81.5	Confident	18 Å²	18	64.3 Å²	64.3	19%	0.186	37%	0.366	C	S	.	.			trans	-144.3	167.8	179.6	0	0	0	0	0	113.7	S51 Y88	G49-S51 VanDerWaalsContact C-N 3.33Å; G49-Y88 PolarHBondContact N-O 3.11Å; G49-Y88 WeakPolarHBondContact O-CB 3.46Å
50	A	96.9	Very high	83.6	Confident	85 Å²	85	65.1 Å²	65.1	70%	0.702	36%	0.361	S	S	*	.	S	Bend	trans	-83	-13.7	170.7	0	0	0	0	0	112.6	E54	A50-E54 WeakPolarHBondContact CB-OE2 3.4Å; A50-E54 PolarHBondContact N-OE2 2.93Å
51	S	98.5	Very high	85.8	Confident	51 Å²	51	69 Å²	69	36%	0.357	37%	0.368	S	S	.	.	S	Bend	trans	-137.5	163.9	173.9	63.3	0	0	0	0	110.3	G49 A53 E54 L55	G49-S51 VanDerWaalsContact C-N 3.33Å; S51-A53 VanDerWaalsContact C-N 3.31Å; S51-A53 PolarHBondContact O-N 2.9Å; S51-E54 PolarHBondContact O-N 3.4Å; S51-E54 WeakPolarHBondContact OG-CB 3.31Å; S51-E54 PolarHBondContact OG-N 2.87Å; S51-L55 PolarHBondContact O-N 3.38Å
52	H	98.6	Very high	88	Confident	15 Å²	15	64 Å²	64	7%	0.069	34%	0.342	C	S	.	.	H	α-helix	trans	-57.1	-44.4	174.1	-171.7	62.2	0	0	0	112.1	E54 L55 V56 M74 L75 T77 D78 R79 Y88	H52-E54 PolarHBondContact O-N 2.95Å; H52-L55 WeakPolarHBondContact O-CB 3.2Å; H52-L55 PolarHBondContact O-N 3.38Å; H52-V56 WeakPolarHBondContact O-CG2 3.48Å; H52-V56 PolarHBondContact O-N 3.45Å; H52-M74 PolarHBondContact CE1-O 3.43Å; H52-M74 PolarHBondContact NE2-O 2.96Å; H52-L75 PolarHBondContact CD2-O 2.72Å; H52-L75 VanDerWaalsContact CD2-O 3.28Å; H52-L75 PolarHBondContact NE2-O 3.09Å; H52-T77 PolarHBondContact CE1-O 3.26Å; H52-T77 PolarHBondContact NE2-O 2.67Å; H52-T77 VanDerWaalsContact NE2-O 3.08Å; H52-D78 IonicContact CG-OD1 2.94Å; H52-R79 PolarHBondContact ND1-N 3.36Å; H52-Y88 HydrophobicContact CB-CD1 3.97Å; H52-Y88 HydrophobicContact CB-CE1 3.55Å
53	A	98.6	Very high	90.2	Very high	42 Å²	42	59.6 Å²	59.6	35%	0.347	33%	0.33	S	S	.	.	H	α-helix	trans	-61.7	-42.3	177.2	0	0	0	0	0	112.4	S51 V56 N57 L75	S51-A53 VanDerWaalsContact C-N 3.31Å; S51-A53 PolarHBondContact O-N 2.9Å; A53-V56 PolarHBondContact O-N 2.89Å; A53-N57 VanDerWaalsContact O-CB 3.22Å; A53-N57 WeakPolarHBondContact O-CB 3.45Å; A53-N57 PolarHBondContact O-N 2.83Å; A53-N57 PolarHBondContact O-ND2 3.13Å; A53-N57 VanDerWaalsContact O-ND2 3.09Å; A53-L75 HydrophobicContact CB-CD1 3.96Å
54	E	98.4	Very high	92.7	Very high	59 Å²	59	54 Å²	54	28%	0.276	30%	0.302	S	S	.	.	H	α-helix	trans	-63.7	-42.3	176.2	-169.6	-170.6	163.9	0	0	111.6	K46 A50 S51 H52 N57 N58	K46-E54 IonicContact NZ-OE1 2.76Å; K46-E54 PolarHBondContact NZ-OE1 2.83Å; A50-E54 WeakPolarHBondContact CB-OE2 3.4Å; A50-E54 PolarHBondContact N-OE2 2.93Å; S51-E54 PolarHBondContact O-N 3.4Å; S51-E54 WeakPolarHBondContact OG-CB 3.31Å; S51-E54 PolarHBondContact OG-N 2.87Å; H52-E54 PolarHBondContact O-N 2.95Å; E54-N57 PolarHBondContact O-N 2.77Å; E54-N58 WeakPolarHBondContact O-CB 3.41Å; E54-N58 PolarHBondContact O-N 3.44Å; E54-N58 PolarHBondContact O-ND2 2.88Å
55	L	98.6	Very high	94.7	Very high	2 Å²	2	51 Å²	51	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-55.9	-55.1	174.1	163.2	64.1	0	0	0	110.9	S47 S51 H52 N57 N58 L59 D90 P104	S47-L55 VanDerWaalsContact O-CD1 3.26Å; S47-L55 WeakPolarHBondContact O-CD1 3.35Å; S51-L55 PolarHBondContact O-N 3.38Å; H52-L55 WeakPolarHBondContact O-CB 3.2Å; H52-L55 PolarHBondContact O-N 3.38Å; L55-N57 VanDerWaalsContact C-N 3.34Å; L55-N57 PolarHBondContact O-N 2.7Å; L55-N58 PolarHBondContact O-N 3.48Å; L55-L59 HydrophobicContact CD1-CD1 4.2Å; L55-L59 HydrophobicContact CD1-CG 4.2Å; L55-L59 WeakPolarHBondContact O-CG 3.32Å; L55-L59 PolarHBondContact O-N 2.61Å; L55-D90 HydrophobicContact CD1-CB 4.28Å; L55-P104 HydrophobicContact CD1-CB 3.88Å; L55-P104 HydrophobicContact CD1-CG 3.88Å; L55-P104 HydrophobicContact CD2-CB 4.01Å; L55-P104 HydrophobicContact CD2-CG 3.65Å; L55-P104 HydrophobicContact CG-CB 4.34Å; L55-P104 HydrophobicContact CG-CG 4.35Å
56	V	98.6	Very high	96.2	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.006	28%	0.276	C	S	.	.	H	α-helix	trans	-65.5	-38.9	-176.1	179.9	0	0	0	0	111.4	H52 A53 N58 L59 R60 Y71 M74 L75	H52-V56 WeakPolarHBondContact O-CG2 3.48Å; H52-V56 PolarHBondContact O-N 3.45Å; A53-V56 PolarHBondContact O-N 2.89Å; V56-N58 VanDerWaalsContact C-N 3.34Å; V56-N58 PolarHBondContact O-N 3.35Å; V56-L59 PolarHBondContact O-N 3.21Å; V56-R60 PolarHBondContact O-N 2.95Å; V56-Y71 HydrophobicContact CG1-CD2 3.66Å; V56-Y71 HydrophobicContact CG1-CE2 3.79Å; V56-M74 HydrophobicContact CG1-CB 4.04Å; V56-M74 HydrophobicContact CG2-CB 4.16Å; V56-L75 HydrophobicContact CB-CD1 4.38Å; V56-L75 HydrophobicContact CG1-CB 4.29Å
57	N	98.4	Very high	97	Very high	71 Å²	71	44.8 Å²	44.8	38%	0.38	26%	0.259	S	S	.	.	H	α-helix	trans	-62.1	-40.8	174.4	-74.1	-25.5	0	0	0	112.4	A53 E54 L55 R60 K61 Y71	A53-N57 VanDerWaalsContact O-CB 3.22Å; A53-N57 WeakPolarHBondContact O-CB 3.45Å; A53-N57 PolarHBondContact O-N 2.83Å; A53-N57 PolarHBondContact O-ND2 3.13Å; A53-N57 VanDerWaalsContact O-ND2 3.09Å; E54-N57 PolarHBondContact O-N 2.77Å; L55-N57 VanDerWaalsContact C-N 3.34Å; L55-N57 PolarHBondContact O-N 2.7Å; N57-R60 PolarHBondContact O-N 2.7Å; N57-K61 WeakPolarHBondContact O-CB 3.39Å; N57-K61 PolarHBondContact O-N 2.95Å; N57-Y71 WeakPolarHBondContact OD1-CE2 3.45Å; N57-Y71 PolarHBondContact OD1-OH 2.97Å
58	N	98.3	Very high	97.6	Very high	24 Å²	24	48.3 Å²	48.3	13%	0.128	28%	0.276	C	S	.	.	H	α-helix	trans	-65.2	-44	176.3	-75.6	-16.9	0	0	0	111.1	K46 G48 E54 L55 V56 R60 K61 N62	K46-N58 WeakPolarHBondContact O-CB 3.43Å; G48-N58 PolarHBondContact O-ND2 3.33Å; E54-N58 WeakPolarHBondContact O-CB 3.41Å; E54-N58 PolarHBondContact O-N 3.44Å; E54-N58 PolarHBondContact O-ND2 2.88Å; L55-N58 PolarHBondContact O-N 3.48Å; V56-N58 VanDerWaalsContact C-N 3.34Å; V56-N58 PolarHBondContact O-N 3.35Å; N58-R60 VanDerWaalsContact C-N 3.3Å; N58-R60 PolarHBondContact O-N 3.26Å; N58-K61 PolarHBondContact O-N 2.58Å; N58-N62 VanDerWaalsContact O-CB 3.23Å; N58-N62 WeakPolarHBondContact O-CB 3.49Å; N58-N62 PolarHBondContact O-N 3.23Å; N58-N62 PolarHBondContact O-ND2 3.03Å; N58-N62 PolarHBondContact O-OD1 3.39Å
59	L	98.3	Very high	97.9	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-58.2	-41.5	174.8	-64.8	176.5	0	0	0	112.3	L55 V56 N62 G63 I64 V65 M74 P104 H105	L55-L59 HydrophobicContact CD1-CD1 4.2Å; L55-L59 HydrophobicContact CD1-CG 4.2Å; L55-L59 WeakPolarHBondContact O-CG 3.32Å; L55-L59 PolarHBondContact O-N 2.61Å; V56-L59 PolarHBondContact O-N 3.21Å; L59-N62 PolarHBondContact O-N 3.26Å; L59-G63 PolarHBondContact O-N 2.85Å; L59-I64 HydrophobicContact CB-CB 4.39Å; L59-I64 HydrophobicContact CD2-CB 4.49Å; L59-I64 HydrophobicContact CD2-CD1 3.73Å; L59-I64 HydrophobicContact CD2-CG2 4.41Å; L59-I64 WeakPolarHBondContact O-CB 3.49Å; L59-I64 PolarHBondContact O-N 3.47Å; L59-V65 HydrophobicContact CB-CG2 3.91Å; L59-V65 PolarHBondContact O-N 3.38Å; L59-M74 HydrophobicContact CD1-CE 3.66Å; L59-P104 HydrophobicContact CD1-CB 3.75Å; L59-H105 HydrophobicContact CD2-CB 4.13Å
60	R	97.9	Very high	98.1	Very high	91 Å²	91	50.3 Å²	50.3	34%	0.343	27%	0.274	S	S	.	.	H	α-helix	trans	-67.2	-47.5	176.5	-176.3	171	-179.4	161.7	7.3	112.2	V56 N57 N58 N62 G63 V65 D68 Y71	V56-R60 PolarHBondContact O-N 2.95Å; N57-R60 PolarHBondContact O-N 2.7Å; N58-R60 VanDerWaalsContact C-N 3.3Å; N58-R60 PolarHBondContact O-N 3.26Å; R60-N62 PolarHBondContact O-N 3.22Å; R60-G63 PolarHBondContact O-N 2.92Å; R60-V65 HydrophobicContact CB-CB 4.25Å; R60-D68 IonicContact CZ-OD1 3.06Å; R60-D68 VanDerWaalsContact CZ-OD1 3.3Å; R60-D68 IonicContact NH1-OD1 2.92Å; R60-D68 PolarHBondContact NH1-OD1 2.64Å; R60-D68 IonicContact NH2-OD1 2.88Å; R60-D68 PolarHBondContact NH2-OD1 3.42Å; R60-Y71 HydrophobicContact CB-CD2 4.04Å; R60-Y71 HydrophobicContact CB-CE2 4.36Å; R60-Y71 VanDerWaalsContact CD-CD2 3.4Å; R60-Y71 HydrophobicContact CG-CD2 4.3Å; R60-Y71 VanDerWaalsContact NH1-CD1 3.27Å
61	K	97.3	Very high	98.2	Very high	167 Å²	167	47.7 Å²	47.7	73%	0.726	25%	0.246	S	C	*	.	H	α-helix	trans	-57.2	-33.1	175.1	-177.3	179.9	175.7	-176.6	0	111.7	N57 N58 G63	N57-K61 WeakPolarHBondContact O-CB 3.39Å; N57-K61 PolarHBondContact O-N 2.95Å; N58-K61 PolarHBondContact O-N 2.58Å; K61-G63 VanDerWaalsContact C-N 3.27Å; K61-G63 PolarHBondContact O-N 2.72Å
62	N	96.4	Very high	98.2	Very high	30 Å²	30	50.2 Å²	50.2	16%	0.16	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	2.8	-179.5	-58.5	-8.1	0	0	0	113.5	W45 K46 S47 N58 L59 R60 I64	W45-N62 HydrophobicContact CE3-CB 3.74Å; W45-N62 VanDerWaalsContact CE3-OD1 3.27Å; W45-N62 HydrophobicContact CZ3-CB 4.19Å; K46-N62 PolarHBondContact O-ND2 3.24Å; K46-N62 VanDerWaalsContact O-ND2 3.11Å; S47-N62 PolarHBondContact OG-ND2 3.47Å; N58-N62 VanDerWaalsContact O-CB 3.23Å; N58-N62 WeakPolarHBondContact O-CB 3.49Å; N58-N62 PolarHBondContact O-N 3.23Å; N58-N62 PolarHBondContact O-ND2 3.03Å; N58-N62 PolarHBondContact O-OD1 3.39Å; L59-N62 PolarHBondContact O-N 3.26Å; R60-N62 PolarHBondContact O-N 3.22Å; N62-I64 HydrophobicContact CB-CD1 4.23Å; N62-I64 HydrophobicContact CB-CG1 4.33Å; N62-I64 PolarHBondContact O-N 3.28Å
63	G	96.6	Very high	98.2	Very high	42 Å²	42	50 Å²	50	43%	0.433	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.2	11.4	178.5	0	0	0	0	0	114.7	L59 R60 K61 K66	L59-G63 PolarHBondContact O-N 2.85Å; R60-G63 PolarHBondContact O-N 2.92Å; K61-G63 VanDerWaalsContact C-N 3.27Å; K61-G63 PolarHBondContact O-N 2.72Å; G63-K66 WeakPolarHBondContact O-CE 3.21Å
64	I	97.3	Very high	98.2	Very high	21 Å²	21	48.5 Å²	48.5	11%	0.108	24%	0.238	C	C	.	.	S	Bend	trans	-77.8	-48.7	178	-61	171	0	0	0	109.2	L59 N62 H105 A108 Y109	L59-I64 HydrophobicContact CB-CB 4.39Å; L59-I64 HydrophobicContact CD2-CB 4.49Å; L59-I64 HydrophobicContact CD2-CD1 3.73Å; L59-I64 HydrophobicContact CD2-CG2 4.41Å; L59-I64 WeakPolarHBondContact O-CB 3.49Å; L59-I64 PolarHBondContact O-N 3.47Å; N62-I64 HydrophobicContact CB-CD1 4.23Å; N62-I64 HydrophobicContact CB-CG1 4.33Å; N62-I64 PolarHBondContact O-N 3.28Å; I64-H105 HydrophobicContact CD1-CB 4.01Å; I64-H105 HydrophobicContact CG2-CB 3.77Å; I64-A108 HydrophobicContact CG2-CB 3.75Å; I64-Y109 HydrophobicContact CG2-CE1 4.28Å
65	V	98.3	Very high	98.2	Very high	3 Å²	3	48.2 Å²	48.2	2%	0.018	24%	0.238	C	C	.	.			trans	-91.5	125.5	168.7	178.1	0	0	0	0	108.3	L59 R60 V70 M74 A108	L59-V65 HydrophobicContact CB-CG2 3.91Å; L59-V65 PolarHBondContact O-N 3.38Å; R60-V65 HydrophobicContact CB-CB 4.25Å; V65-V70 HydrophobicContact CG1-CB 4.3Å; V65-V70 HydrophobicContact CG1-CG1 4.01Å; V65-V70 HydrophobicContact CG2-CG1 4.5Å; V65-M74 HydrophobicContact CG2-SD 3.62Å; V65-A108 HydrophobicContact CG2-CB 3.72Å
66	K	97.9	Very high	98.2	Very high	152 Å²	152	51 Å²	51	66%	0.661	26%	0.258	S	S	*	.			trans	-117.1	-43.3	-170.3	-59.6	176.6	-173.2	175	0	111.7	G63 E112	G63-K66 WeakPolarHBondContact O-CE 3.21Å; K66-E112 WeakPolarHBondContact CA-OE1 3.29Å; K66-E112 PolarHBondContact N-OE1 3.33Å
67	S	98.6	Very high	98.3	Very high	24 Å²	24	51 Å²	51	17%	0.168	26%	0.258	C	S	.	.	S	Bend	trans	-89.4	143.3	-178	60.1	0	0	0	0	111.8	K69 V70 Y71 E112	S67-K69 VanDerWaalsContact C-N 3.25Å; S67-K69 PolarHBondContact O-N 2.85Å; S67-V70 PolarHBondContact O-N 3.4Å; S67-V70 VanDerWaalsContact OG-CB 3.29Å; S67-V70 WeakPolarHBondContact OG-CB 3.44Å; S67-V70 WeakPolarHBondContact OG-CG2 3.19Å; S67-V70 PolarHBondContact OG-N 3.4Å; S67-Y71 PolarHBondContact O-N 3.22Å; S67-E112 PolarHBondContact N-OE1 3.03Å; S67-E112 PolarHBondContact OG-OE1 3.49Å; S67-E112 PolarHBondContact OG-OE2 3.43Å
68	D	98.7	Very high	98.3	Very high	100 Å²	100	50 Å²	50	54%	0.535	25%	0.253	S	S	.	.	H	α-helix	trans	-60.4	-39	176.3	-72.4	-41.1	0	0	0	111.2	R60 V70 Y71 E72	R60-D68 IonicContact CZ-OD1 3.06Å; R60-D68 VanDerWaalsContact CZ-OD1 3.3Å; R60-D68 IonicContact NH1-OD1 2.92Å; R60-D68 PolarHBondContact NH1-OD1 2.64Å; R60-D68 IonicContact NH2-OD1 2.88Å; R60-D68 PolarHBondContact NH2-OD1 3.42Å; D68-V70 PolarHBondContact O-N 3.07Å; D68-Y71 WeakPolarHBondContact O-CB 3.27Å; D68-Y71 PolarHBondContact O-N 2.88Å; D68-E72 WeakPolarHBondContact O-CG 3.22Å; D68-E72 PolarHBondContact O-N 2.85Å
69	K	98.7	Very high	98.3	Very high	76 Å²	76	49 Å²	49	33%	0.33	25%	0.247	S	C	.	.	H	α-helix	trans	-60.9	-46.4	178.7	-167.8	-178.7	178.3	-173.9	0	111.8	S67 Y71 E72 V73 L118 M141	S67-K69 VanDerWaalsContact C-N 3.25Å; S67-K69 PolarHBondContact O-N 2.85Å; K69-Y71 VanDerWaalsContact C-N 3.34Å; K69-E72 PolarHBondContact O-N 3.27Å; K69-V73 WeakPolarHBondContact O-CB 2.92Å; K69-V73 WeakPolarHBondContact O-CG2 3.27Å; K69-V73 PolarHBondContact O-N 3.36Å; K69-L118 PolarHBondContact NZ-O 3.46Å; K69-M141 HydrophobicContact CD-CE 4.06Å; K69-M141 HydrophobicContact CD-SD 4.04Å; K69-M141 WeakPolarHBondContact CE-O 3.46Å; K69-M141 HydrophobicContact CG-CE 4.35Å; K69-M141 HydrophobicContact CG-SD 3.84Å; K69-M141 PolarHBondContact NZ-O 2.89Å
70	V	98.9	Very high	98.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65.7	-39.8	177.6	172.7	0	0	0	0	110.9	V65 S67 D68 V73 M74 L111 E112 M141	V65-V70 HydrophobicContact CG1-CB 4.3Å; V65-V70 HydrophobicContact CG1-CG1 4.01Å; V65-V70 HydrophobicContact CG2-CG1 4.5Å; S67-V70 PolarHBondContact O-N 3.4Å; S67-V70 VanDerWaalsContact OG-CB 3.29Å; S67-V70 WeakPolarHBondContact OG-CB 3.44Å; S67-V70 WeakPolarHBondContact OG-CG2 3.19Å; S67-V70 PolarHBondContact OG-N 3.4Å; D68-V70 PolarHBondContact O-N 3.07Å; V70-V73 PolarHBondContact O-N 3.49Å; V70-M74 HydrophobicContact CG1-CG 4.22Å; V70-M74 HydrophobicContact CG1-SD 3.96Å; V70-M74 WeakPolarHBondContact O-CB 3.38Å; V70-M74 WeakPolarHBondContact O-CG 3.49Å; V70-M74 PolarHBondContact O-N 2.9Å; V70-L111 HydrophobicContact CB-CB 4.49Å; V70-L111 HydrophobicContact CG1-CB 3.79Å; V70-L111 HydrophobicContact CG1-CD1 4.08Å; V70-L111 HydrophobicContact CG2-CB 3.86Å; V70-E112 HydrophobicContact CG1-CG 4.31Å; V70-E112 HydrophobicContact CG2-CG 4.34Å; V70-M141 HydrophobicContact CG2-CE 3.93Å; V70-M141 HydrophobicContact CG2-SD 4.25Å
71	Y	98.9	Very high	98.4	Very high	30 Å²	30	49.8 Å²	49.8	12%	0.118	26%	0.262	C	S	.	.	H	α-helix	trans	-56.9	-51.7	174.5	173.4	-98.8	0	0	0	112.1	V56 N57 R60 S67 D68 K69 V73 M74 L75	V56-Y71 HydrophobicContact CG1-CD2 3.66Å; V56-Y71 HydrophobicContact CG1-CE2 3.79Å; N57-Y71 WeakPolarHBondContact OD1-CE2 3.45Å; N57-Y71 PolarHBondContact OD1-OH 2.97Å; R60-Y71 HydrophobicContact CB-CD2 4.04Å; R60-Y71 HydrophobicContact CB-CE2 4.36Å; R60-Y71 VanDerWaalsContact CD-CD2 3.4Å; R60-Y71 HydrophobicContact CG-CD2 4.3Å; R60-Y71 VanDerWaalsContact NH1-CD1 3.27Å; S67-Y71 PolarHBondContact O-N 3.22Å; D68-Y71 WeakPolarHBondContact O-CB 3.27Å; D68-Y71 PolarHBondContact O-N 2.88Å; K69-Y71 VanDerWaalsContact C-N 3.34Å; Y71-V73 PolarHBondContact O-N 3.39Å; Y71-M74 PolarHBondContact O-N 2.91Å; Y71-L75 HydrophobicContact CE1-CD2 3.96Å; Y71-L75 VanDerWaalsContact O-CB 3.23Å; Y71-L75 WeakPolarHBondContact O-CB 3.17Å; Y71-L75 PolarHBondContact O-N 3.44Å
72	E	98.9	Very high	98.4	Very high	105 Å²	105	42.1 Å²	42.1	49%	0.491	23%	0.228	S	C	.	.	H	α-helix	trans	-63.9	-40	179.9	-67	-54.4	141.1	0	0	112.3	D68 K69 L75 S76	D68-E72 WeakPolarHBondContact O-CG 3.22Å; D68-E72 PolarHBondContact O-N 2.85Å; K69-E72 PolarHBondContact O-N 3.27Å; E72-L75 PolarHBondContact O-N 2.87Å; E72-S76 WeakPolarHBondContact O-CB 3.15Å; E72-S76 PolarHBondContact O-N 3.19Å; E72-S76 PolarHBondContact O-OG 2.91Å
73	V	98.9	Very high	98.5	Very high	9 Å²	9	40.8 Å²	40.8	6%	0.055	22%	0.222	C	C	.	.	H	α-helix	trans	-64	-46.6	176.6	164	0	0	0	0	111.5	K69 V70 Y71 S76 T77 C137 R140 M141	K69-V73 WeakPolarHBondContact O-CB 2.92Å; K69-V73 WeakPolarHBondContact O-CG2 3.27Å; K69-V73 PolarHBondContact O-N 3.36Å; V70-V73 PolarHBondContact O-N 3.49Å; Y71-V73 PolarHBondContact O-N 3.39Å; V73-S76 WeakPolarHBondContact CA-OG 3.37Å; V73-S76 PolarHBondContact O-N 3.21Å; V73-S76 PolarHBondContact O-OG 3.38Å; V73-S76 VanDerWaalsContact O-OG 3.09Å; V73-T77 WeakPolarHBondContact O-CB 3.33Å; V73-T77 PolarHBondContact O-N 3.44Å; V73-T77 PolarHBondContact O-OG1 2.73Å; V73-C137 HydrophobicContact CG1-CB 3.73Å; V73-C137 WeakPolarHBondContact CG1-O 3.47Å; V73-R140 HydrophobicContact CB-CB 4.5Å; V73-R140 HydrophobicContact CG1-CB 4.05Å; V73-R140 HydrophobicContact CG2-CB 3.9Å; V73-M141 HydrophobicContact CB-CG 4.4Å; V73-M141 HydrophobicContact CB-SD 4.1Å; V73-M141 HydrophobicContact CG1-CG 4.09Å; V73-M141 HydrophobicContact CG1-SD 4.39Å; V73-M141 HydrophobicContact CG2-CG 3.95Å; V73-M141 HydrophobicContact CG2-SD 3.61Å
74	M	98.9	Very high	98.5	Very high	12 Å²	12	48.5 Å²	48.5	6%	0.059	24%	0.238	C	C	.	.	H	α-helix	trans	-64.8	-43.7	177.3	-71.3	-173.6	72.9	0	0	110.6	H52 V56 L59 V65 V70 Y71 S76 T77 A108 L111	H52-M74 PolarHBondContact CE1-O 3.43Å; H52-M74 PolarHBondContact NE2-O 2.96Å; V56-M74 HydrophobicContact CG1-CB 4.04Å; V56-M74 HydrophobicContact CG2-CB 4.16Å; L59-M74 HydrophobicContact CD1-CE 3.66Å; V65-M74 HydrophobicContact CG2-SD 3.62Å; V70-M74 HydrophobicContact CG1-CG 4.22Å; V70-M74 HydrophobicContact CG1-SD 3.96Å; V70-M74 WeakPolarHBondContact O-CB 3.38Å; V70-M74 WeakPolarHBondContact O-CG 3.49Å; V70-M74 PolarHBondContact O-N 2.9Å; Y71-M74 PolarHBondContact O-N 2.91Å; M74-S76 VanDerWaalsContact C-N 3.3Å; M74-S76 PolarHBondContact O-N 2.77Å; M74-T77 PolarHBondContact O-N 3.26Å; M74-T77 VanDerWaalsContact O-N 3.13Å; M74-A108 HydrophobicContact CE-CB 4.04Å; M74-A108 HydrophobicContact SD-CB 3.65Å; M74-L111 HydrophobicContact CG-CD1 3.7Å; M74-L111 HydrophobicContact SD-CD1 4.2Å
75	L	98.8	Very high	98.5	Very high	52 Å²	52	51.4 Å²	51.4	27%	0.272	26%	0.259	S	S	.	.	H	α-helix	trans	-61.4	-37.6	179.3	-172.9	63.9	0	0	0	112.4	H52 A53 V56 Y71 E72 T77	H52-L75 PolarHBondContact CD2-O 2.72Å; H52-L75 VanDerWaalsContact CD2-O 3.28Å; H52-L75 PolarHBondContact NE2-O 3.09Å; A53-L75 HydrophobicContact CB-CD1 3.96Å; V56-L75 HydrophobicContact CB-CD1 4.38Å; V56-L75 HydrophobicContact CG1-CB 4.29Å; Y71-L75 HydrophobicContact CE1-CD2 3.96Å; Y71-L75 VanDerWaalsContact O-CB 3.23Å; Y71-L75 WeakPolarHBondContact O-CB 3.17Å; Y71-L75 PolarHBondContact O-N 3.44Å; E72-L75 PolarHBondContact O-N 2.87Å; L75-T77 VanDerWaalsContact C-N 3.29Å; L75-T77 PolarHBondContact O-N 2.89Å
76	S	98.7	Very high	98.5	Very high	60 Å²	60	55.7 Å²	55.7	42%	0.42	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-1.9	177.8	56.8	0	0	0	0	114.7	E72 V73 M74 R140	E72-S76 WeakPolarHBondContact O-CB 3.15Å; E72-S76 PolarHBondContact O-N 3.19Å; E72-S76 PolarHBondContact O-OG 2.91Å; V73-S76 WeakPolarHBondContact CA-OG 3.37Å; V73-S76 PolarHBondContact O-N 3.21Å; V73-S76 PolarHBondContact O-OG 3.38Å; V73-S76 VanDerWaalsContact O-OG 3.09Å; M74-S76 VanDerWaalsContact C-N 3.3Å; M74-S76 PolarHBondContact O-N 2.77Å; S76-R140 PolarHBondContact O-NH1 2.76Å; S76-R140 PolarHBondContact O-NH2 3.43Å; S76-R140 WeakPolarHBondContact OG-CD 3.39Å
77	T	98.9	Very high	98.5	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.012	26%	0.258	C	S	.	.	S	Bend	trans	-113.7	80.8	178.9	-47.9	0	0	0	0	110.5	H52 V73 M74 L75 R79 Y82 I133 V136 R140	H52-T77 PolarHBondContact CE1-O 3.26Å; H52-T77 PolarHBondContact NE2-O 2.67Å; H52-T77 VanDerWaalsContact NE2-O 3.08Å; V73-T77 WeakPolarHBondContact O-CB 3.33Å; V73-T77 PolarHBondContact O-N 3.44Å; V73-T77 PolarHBondContact O-OG1 2.73Å; M74-T77 PolarHBondContact O-N 3.26Å; M74-T77 VanDerWaalsContact O-N 3.13Å; L75-T77 VanDerWaalsContact C-N 3.29Å; L75-T77 PolarHBondContact O-N 2.89Å; T77-R79 PolarHBondContact O-N 3.11Å; T77-R79 VanDerWaalsContact O-N 3.14Å; T77-Y82 HydrophobicContact CG2-CE2 3.86Å; T77-I133 HydrophobicContact CG2-CD1 4.44Å; T77-I133 HydrophobicContact CG2-CG1 3.73Å; T77-V136 HydrophobicContact CG2-CG1 3.93Å; T77-R140 VanDerWaalsContact CG2-NH1 3.3Å; T77-R140 WeakPolarHBondContact OG1-CD 3.48Å; T77-R140 PolarHBondContact OG1-NH1 3.5Å
78	D	98.8	Very high	98.5	Very high	50 Å²	50	50.8 Å²	50.8	27%	0.267	26%	0.259	S	S	.	.			trans	-64	117.3	-174.5	-165.6	-37.9	0	0	0	111.4	H52 A80 H81 Y82 Y88	H52-D78 IonicContact CG-OD1 2.94Å; D78-A80 PolarHBondContact O-N 3.33Å; D78-A80 VanDerWaalsContact O-N 3.15Å; D78-A80 VanDerWaalsContact OD1-CB 3.3Å; D78-A80 WeakPolarHBondContact OD1-CB 3.23Å; D78-A80 PolarHBondContact OD1-N 2.88Å; D78-H81 PolarHBondContact O-CD2 3.4Å; D78-H81 PolarHBondContact O-N 2.98Å; D78-Y82 VanDerWaalsContact O-CD2 3.32Å; D78-Y82 WeakPolarHBondContact O-CD2 3.33Å; D78-Y88 WeakPolarHBondContact OD1-CE1 3.38Å; D78-Y88 PolarHBondContact OD1-OH 2.75Å
79	R	98.8	Very high	98.5	Very high	4 Å²	4	50 Å²	50	2%	0.015	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-65.4	-18.2	-175.4	-167.8	166	160.9	101.6	3	113.2	H52 T77 H81 Y82 S83 P87 I101 S102 H107 I133	H52-R79 PolarHBondContact ND1-N 3.36Å; T77-R79 PolarHBondContact O-N 3.11Å; T77-R79 VanDerWaalsContact O-N 3.14Å; R79-H81 PolarHBondContact O-N 2.83Å; R79-Y82 PolarHBondContact O-N 2.93Å; R79-S83 PolarHBondContact O-N 3.18Å; R79-P87 WeakPolarHBondContact CD-O 3.35Å; R79-P87 VanDerWaalsContact CG-O 3.25Å; R79-P87 WeakPolarHBondContact CG-O 3.3Å; R79-P87 PolarHBondContact NE-O 3.15Å; R79-P87 VanDerWaalsContact NE-O 3.07Å; R79-I101 HydrophobicContact CG-CD1 4.17Å; R79-I101 PolarHBondContact NH2-O 3.45Å; R79-S102 PolarHBondContact NH1-O 3.35Å; R79-S102 PolarHBondContact NH2-O 3.21Å; R79-H107 PolarHBondContact NH1-CE1 3.35Å; R79-H107 VanDerWaalsContact NH1-CE1 3.26Å; R79-H107 PolarHBondContact NH1-ND1 3.03Å; R79-I133 HydrophobicContact CB-CD1 4.09Å; R79-I133 HydrophobicContact CG-CD1 3.81Å
80	A	98.7	Very high	98.5	Very high	43 Å²	43	47.9 Å²	47.9	36%	0.355	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-64.9	-22.7	174.8	0	0	0	0	0	113.8	D78 Y82 P87 Y88	D78-A80 PolarHBondContact O-N 3.33Å; D78-A80 VanDerWaalsContact O-N 3.15Å; D78-A80 VanDerWaalsContact OD1-CB 3.3Å; D78-A80 WeakPolarHBondContact OD1-CB 3.23Å; D78-A80 PolarHBondContact OD1-N 2.88Å; A80-Y82 PolarHBondContact O-N 3.03Å; A80-P87 HydrophobicContact CB-CB 4.19Å; A80-P87 HydrophobicContact CB-CG 4.22Å; A80-Y88 HydrophobicContact CB-CE1 4.16Å; A80-Y88 WeakPolarHBondContact CB-OH 3.13Å
81	H	98.8	Very high	98.4	Very high	64 Å²	64	49.6 Å²	49.6	30%	0.296	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-71.6	-21.5	172.1	-62.2	-55	0	0	0	112.8	D78 R79 N164 D168	D78-H81 PolarHBondContact O-CD2 3.4Å; D78-H81 PolarHBondContact O-N 2.98Å; R79-H81 PolarHBondContact O-N 2.83Å; H81-N164 WeakPolarHBondContact O-CB 3.3Å; H81-N164 PolarHBondContact O-OD1 2.83Å; H81-N164 VanDerWaalsContact O-OD1 3.07Å; H81-D168 HydrophobicContact CB-CB 4.24Å
82	Y	98.8	Very high	98.3	Very high	5 Å²	5	51.6 Å²	51.6	2%	0.02	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115	-15.1	-168.1	-58.8	-82.9	0	0	0	113.9	T77 D78 R79 A80 S131 I133 V136 N164 V165 D168	T77-Y82 HydrophobicContact CG2-CE2 3.86Å; D78-Y82 VanDerWaalsContact O-CD2 3.32Å; D78-Y82 WeakPolarHBondContact O-CD2 3.33Å; R79-Y82 PolarHBondContact O-N 2.93Å; A80-Y82 PolarHBondContact O-N 3.03Å; Y82-S131 WeakPolarHBondContact CD1-O 3.41Å; Y82-I133 HydrophobicContact CD1-CB 3.71Å; Y82-I133 HydrophobicContact CD1-CG1 4.33Å; Y82-I133 HydrophobicContact CD2-CB 3.98Å; Y82-I133 HydrophobicContact CD2-CD1 3.83Å; Y82-I133 HydrophobicContact CD2-CG1 3.68Å; Y82-I133 HydrophobicContact CE1-CB 4.19Å; Y82-I133 HydrophobicContact CE2-CB 4.43Å; Y82-I133 HydrophobicContact CE2-CG1 4.05Å; Y82-I133 HydrophobicContact CG-CB 3.59Å; Y82-I133 HydrophobicContact CG-CD1 4.08Å; Y82-I133 HydrophobicContact CG-CG1 3.85Å; Y82-V136 WeakPolarHBondContact OH-CG2 3.42Å; Y82-N164 HydrophobicContact CD1-CB 3.61Å; Y82-N164 HydrophobicContact CE1-CB 3.76Å; Y82-N164 HydrophobicContact CG-CB 4.43Å; Y82-V165 HydrophobicContact CE1-CG2 4.39Å; Y82-D168 HydrophobicContact CE2-CB 4.18Å; Y82-D168 VanDerWaalsContact OH-CB 3.32Å; Y82-D168 WeakPolarHBondContact OH-CB 3.35Å; Y82-D168 PolarHBondContact OH-OD2 3.15Å
83	S	98.4	Very high	98.3	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.021	25%	0.254	C	S	.	.			trans	-133.2	118.2	-179.3	-169.9	0	0	0	0	110.5	R79 C85 Q93	R79-S83 PolarHBondContact O-N 3.18Å; S83-C85 VanDerWaalsContact C-N 3.35Å; S83-C85 PolarHBondContact OG-O 3.05Å; S83-C85 VanDerWaalsContact OG-O 3.12Å; S83-Q93 WeakPolarHBondContact OG-CB 3.45Å
84	R	96.5	Very high	98.3	Very high	204 Å²	204	51.3 Å²	51.3	77%	0.77	28%	0.282	S	S	*	.	S	Bend	trans	-72.1	-29.1	-176.4	-59.4	180	-170.6	169.4	4.9	112.7	D160	R84-D160 IonicContact NH2-OD2 2.74Å; R84-D160 PolarHBondContact NH2-OD2 2.86Å
85	C	96.9	Very high	98.2	Very high	81 Å²	81	52 Å²	52	55%	0.547	29%	0.286	S	S	.	.	S	Bend	trans	-128.3	138.1	-174.5	-61.9	0	0	0	0	110.1	S83 P87 Q93	S83-C85 VanDerWaalsContact C-N 3.35Å; S83-C85 PolarHBondContact OG-O 3.05Å; S83-C85 VanDerWaalsContact OG-O 3.12Å; C85-P87 VanDerWaalsContact C-N 3.34Å; C85-Q93 WeakPolarHBondContact O-CG 3.33Å; C85-Q93 PolarHBondContact O-OE1 2.86Å
86	N	97.9	Very high	98.1	Very high	94 Å²	94	50.9 Å²	50.9	50%	0.503	29%	0.286	S	S	.	.			trans	46	48.8	178.8	-45.8	-55.2	0	0	0	114	Y88 M89 Q93	N86-Y88 PolarHBondContact O-N 3.2Å; N86-M89 HydrophobicContact CB-CB 3.95Å; N86-M89 HydrophobicContact CB-CE 3.83Å; N86-M89 WeakPolarHBondContact O-CB 3.27Å; N86-M89 PolarHBondContact O-N 2.93Å; N86-M89 VanDerWaalsContact O-N 3.08Å; N86-Q93 PolarHBondContact ND2-OE1 2.93Å
87	P	98.4	Very high	98.1	Very high	25 Å²	25	50.8 Å²	50.8	16%	0.162	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-27	-170.9	24.5	-35.1	0	0	0	113.2	R79 A80 C85	R79-P87 WeakPolarHBondContact CD-O 3.35Å; R79-P87 VanDerWaalsContact CG-O 3.25Å; R79-P87 WeakPolarHBondContact CG-O 3.3Å; R79-P87 PolarHBondContact NE-O 3.15Å; R79-P87 VanDerWaalsContact NE-O 3.07Å; A80-P87 HydrophobicContact CB-CB 4.19Å; A80-P87 HydrophobicContact CB-CG 4.22Å; C85-P87 VanDerWaalsContact C-N 3.34Å
88	Y	98.6	Very high	97.9	Very high	48 Å²	48	56.9 Å²	56.9	19%	0.188	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	10.3	-175.4	-45.9	-41.8	0	0	0	114	G48 G49 H52 D78 A80 N86	G48-Y88 CarbonylContact C-O 3.55Å; G48-Y88 VanDerWaalsContact CA-O 3.25Å; G48-Y88 WeakPolarHBondContact CA-O 3.36Å; G49-Y88 PolarHBondContact N-O 3.11Å; G49-Y88 WeakPolarHBondContact O-CB 3.46Å; H52-Y88 HydrophobicContact CB-CD1 3.97Å; H52-Y88 HydrophobicContact CB-CE1 3.55Å; D78-Y88 WeakPolarHBondContact OD1-CE1 3.38Å; D78-Y88 PolarHBondContact OD1-OH 2.75Å; A80-Y88 HydrophobicContact CB-CE1 4.16Å; A80-Y88 WeakPolarHBondContact CB-OH 3.13Å; N86-Y88 PolarHBondContact O-N 3.2Å
89	M	98.2	Very high	97.8	Very high	84 Å²	84	54.9 Å²	54.9	41%	0.414	30%	0.296	S	S	.	.	S	Bend	trans	-80.8	133.1	171.8	-168.7	159.1	67	0	0	109.3	N86 S91	N86-M89 HydrophobicContact CB-CB 3.95Å; N86-M89 HydrophobicContact CB-CE 3.83Å; N86-M89 WeakPolarHBondContact O-CB 3.27Å; N86-M89 PolarHBondContact O-N 2.93Å; N86-M89 VanDerWaalsContact O-N 3.08Å; M89-S91 WeakPolarHBondContact CE-OG 3.42Å; M89-S91 PolarHBondContact O-N 2.92Å
90	D	98.1	Very high	97.8	Very high	30 Å²	30	57.3 Å²	57.3	16%	0.16	31%	0.311	C	S	.	.	S	Bend	trans	-79	60.8	177.9	-173	33.6	0	0	0	111.9	S47 L55 P104 H105	S47-D90 VanDerWaalsContact CB-CB 3.5Å; S47-D90 WeakPolarHBondContact CB-OD2 3.32Å; L55-D90 HydrophobicContact CD1-CB 4.28Å; D90-P104 WeakPolarHBondContact OD1-CB 3.46Å; D90-P104 VanDerWaalsContact OD1-CD 3.29Å; D90-P104 WeakPolarHBondContact OD1-CD 3.46Å; D90-H105 IonicContact OD1-CE1 3.96Å; D90-H105 IonicContact OD1-CG 3.45Å; D90-H105 PolarHBondContact OD1-N 3.31Å; D90-H105 IonicContact OD1-ND1 3.87Å; D90-H105 PolarHBondContact OD1-ND1 3.32Å; D90-H105 IonicContact OD2-CE1 2.75Å; D90-H105 IonicContact OD2-CG 3.92Å; D90-H105 IonicContact OD2-ND1 2.89Å; D90-H105 PolarHBondContact OD2-ND1 2.86Å
91	S	97.3	Very high	97.8	Very high	36 Å²	36	55.4 Å²	55.4	25%	0.252	30%	0.295	S	S	.	.	S	Bend	trans	-155	161.3	176.6	71.7	0	0	0	0	110.9	M89 Q93	M89-S91 WeakPolarHBondContact CE-OG 3.42Å; M89-S91 PolarHBondContact O-N 2.92Å; S91-Q93 PolarHBondContact O-NE2 3.5Å; S91-Q93 VanDerWaalsContact O-NE2 3.12Å; S91-Q93 PolarHBondContact OG-NE2 3.23Å
92	P	97.8	Very high	97.7	Very high	73 Å²	73	53.4 Å²	53.4	47%	0.474	29%	0.289	S	S	.	.			trans	-62.2	141.8	177.2	-20	33.5	0	0	0	111.5	T100 I101 A103	P92-T100 HydrophobicContact CB-CG2 4.48Å; P92-I101 VanDerWaalsContact CA-O 3.26Å; P92-I101 WeakPolarHBondContact CA-O 3.47Å; P92-A103 HydrophobicContact CG-CB 4.35Å
93	Q	98.5	Very high	97.7	Very high	17 Å²	17	53.3 Å²	53.3	8%	0.079	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	143.1	174.1	-53.8	-56.7	-53.3	0	0	109.7	S83 C85 N86 S91 T100 I101	S83-Q93 WeakPolarHBondContact OG-CB 3.45Å; C85-Q93 WeakPolarHBondContact O-CG 3.33Å; C85-Q93 PolarHBondContact O-OE1 2.86Å; N86-Q93 PolarHBondContact ND2-OE1 2.93Å; S91-Q93 PolarHBondContact O-NE2 3.5Å; S91-Q93 VanDerWaalsContact O-NE2 3.12Å; S91-Q93 PolarHBondContact OG-NE2 3.23Å; Q93-T100 CarbonylContact O-C 3.56Å; Q93-T100 WeakPolarHBondContact O-CA 3.29Å; Q93-T100 VanDerWaalsContact O-CB 3.27Å; Q93-T100 WeakPolarHBondContact O-CB 3.32Å; Q93-I101 HydrophobicContact CB-CG2 3.76Å; Q93-I101 PolarHBondContact N-O 3.45Å; Q93-I101 VanDerWaalsContact N-O 3.11Å; Q93-I101 WeakPolarHBondContact O-CG2 3.45Å; Q93-I101 PolarHBondContact O-N 2.92Å
94	S	98	Very high	97.7	Very high	91 Å²	91	53.2 Å²	53.2	64%	0.636	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.5	138.2	175.4	-178.6	0	0	0	0	111.2	G96	S94-G96 PolarHBondContact OG-N 3.33Å
95	I	98	Very high	97.8	Very high	26 Å²	26	45.9 Å²	45.9	13%	0.133	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	14.7	172	58.1	175.9	0	0	0	111.8	A99 I101 L157	I95-A99 HydrophobicContact CD1-CB 4.06Å; I95-A99 HydrophobicContact CG1-CB 3.83Å; I95-A99 PolarHBondContact N-O 3.19Å; I95-A99 VanDerWaalsContact N-O 3.1Å; I95-I101 HydrophobicContact CG2-CB 3.86Å; I95-I101 HydrophobicContact CG2-CG2 3.75Å; I95-L157 HydrophobicContact CD1-CD2 3.91Å; I95-L157 HydrophobicContact CG1-CD2 3.99Å
96	G	97	Very high	97.8	Very high	28 Å²	28	43.3 Å²	43.3	29%	0.289	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	84.8	176.7	-173.7	0	0	0	0	0	112.8	S94 Q98 A99	S94-G96 PolarHBondContact OG-N 3.33Å; G96-Q98 PolarHBondContact O-N 3.14Å; G96-Q98 VanDerWaalsContact O-N 3.14Å; G96-A99 WeakPolarHBondContact O-CB 3.49Å; G96-A99 PolarHBondContact O-N 3.18Å
97	Y	96.8	Very high	97.9	Very high	59 Å²	59	39.5 Å²	39.5	23%	0.231	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	34.5	172.1	-45.4	-81	0	0	0	114.6	A99 I154 E156 L157 Q264 W265	Y97-A99 PolarHBondContact O-N 3.24Å; Y97-I154 HydrophobicContact CD1-CG2 3.92Å; Y97-I154 HydrophobicContact CD2-CG2 4.43Å; Y97-I154 HydrophobicContact CG-CG2 3.85Å; Y97-E156 HydrophobicContact CD1-CB 4.39Å; Y97-E156 HydrophobicContact CE1-CB 3.61Å; Y97-E156 HydrophobicContact CE1-CG 3.84Å; Y97-E156 HydrophobicContact CE2-CB 3.76Å; Y97-E156 VanDerWaalsContact OH-CB 3.23Å; Y97-E156 WeakPolarHBondContact OH-CB 3.48Å; Y97-L157 HydrophobicContact CD2-CD2 3.57Å; Y97-L157 HydrophobicContact CD2-CG 3.77Å; Y97-L157 HydrophobicContact CE2-CD2 4.23Å; Y97-L157 HydrophobicContact CG-CD2 4.48Å; Y97-L157 HydrophobicContact CG-CG 4.3Å; Y97-Q264 PolarHBondContact O-NE2 2.95Å; Y97-W265 AromaticContact CD1-CD1 3.83Å; Y97-W265 HydrophobicContact CD1-CD2 4.09Å; Y97-W265 AromaticContact CD1-CE2 3.71Å; Y97-W265 HydrophobicContact CD1-CG 4.15Å; Y97-W265 HydrophobicContact CD1-CZ2 4.24Å; Y97-W265 AromaticContact CD1-NE1 3.55Å
98	Q	95.9	Very high	97.9	Very high	129 Å²	129	38.3 Å²	38.3	60%	0.603	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	20.8	-171.8	-56.1	-170.8	22.8	0	0	114.6	G96 Q264 W265	G96-Q98 PolarHBondContact O-N 3.14Å; G96-Q98 VanDerWaalsContact O-N 3.14Å; Q98-Q264 HydrophobicContact CB-CG 4.2Å; Q98-Q264 WeakPolarHBondContact CG-O 3.44Å; Q98-Q264 PolarHBondContact NE2-O 2.98Å; Q98-Q264 PolarHBondContact OE1-O 3.44Å; Q98-W265 HydrophobicContact CG-CE3 4.16Å; Q98-W265 HydrophobicContact CG-CZ3 4.4Å
99	A	97	Very high	97.9	Very high	9 Å²	9	39.7 Å²	39.7	7%	0.074	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	156.7	176.6	0	0	0	0	0	111.3	I95 G96 Y97 L157	I95-A99 HydrophobicContact CD1-CB 4.06Å; I95-A99 HydrophobicContact CG1-CB 3.83Å; I95-A99 PolarHBondContact N-O 3.19Å; I95-A99 VanDerWaalsContact N-O 3.1Å; G96-A99 WeakPolarHBondContact O-CB 3.49Å; G96-A99 PolarHBondContact O-N 3.18Å; Y97-A99 PolarHBondContact O-N 3.24Å; A99-L157 HydrophobicContact CB-CD1 3.66Å
100	T	98	Very high	97.9	Very high	54 Å²	54	35.9 Å²	35.9	33%	0.331	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	144.9	173	61.4	0	0	0	0	110	P92 Q93 S102	P92-T100 HydrophobicContact CB-CG2 4.48Å; Q93-T100 CarbonylContact O-C 3.56Å; Q93-T100 WeakPolarHBondContact O-CA 3.29Å; Q93-T100 VanDerWaalsContact O-CB 3.27Å; Q93-T100 WeakPolarHBondContact O-CB 3.32Å; T100-S102 PolarHBondContact O-N 3Å
101	I	98.4	Very high	98	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.015	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	121.4	159.7	179.7	-179.1	0	0	0	107.1	R79 P92 Q93 I95 I133	R79-I101 HydrophobicContact CG-CD1 4.17Å; R79-I101 PolarHBondContact NH2-O 3.45Å; P92-I101 VanDerWaalsContact CA-O 3.26Å; P92-I101 WeakPolarHBondContact CA-O 3.47Å; Q93-I101 HydrophobicContact CB-CG2 3.76Å; Q93-I101 PolarHBondContact N-O 3.45Å; Q93-I101 VanDerWaalsContact N-O 3.11Å; Q93-I101 WeakPolarHBondContact O-CG2 3.45Å; Q93-I101 PolarHBondContact O-N 2.92Å; I95-I101 HydrophobicContact CG2-CB 3.86Å; I95-I101 HydrophobicContact CG2-CG2 3.75Å; I101-I133 HydrophobicContact CD1-CB 4.35Å; I101-I133 HydrophobicContact CD1-CD1 4.04Å; I101-I133 HydrophobicContact CD1-CG2 3.88Å; I101-I133 HydrophobicContact CG1-CG2 4.02Å
102	S	97.6	Very high	98	Very high	23 Å²	23	34.6 Å²	34.6	16%	0.161	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-56.4	156.7	-177.1	-55.9	0	0	0	0	112.4	R79 T100	R79-S102 PolarHBondContact NH1-O 3.35Å; R79-S102 PolarHBondContact NH2-O 3.21Å; T100-S102 PolarHBondContact O-N 3Å
103	A	98.1	Very high	98.1	Very high	2 Å²	2	33 Å²	33	2%	0.017	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-57.5	142.8	174.7	0	0	0	0	0	111	P92 H105 M106 H107	P92-A103 HydrophobicContact CG-CB 4.35Å; A103-H105 VanDerWaalsContact C-N 3.26Å; A103-H105 WeakPolarHBondContact CB-CE1 3.37Å; A103-H105 PolarHBondContact O-N 3.37Å; A103-M106 HydrophobicContact CB-CG 4.4Å; A103-M106 WeakPolarHBondContact O-CB 3.46Å; A103-M106 PolarHBondContact O-N 2.88Å; A103-H107 PolarHBondContact O-N 3.37Å
104	P	98.6	Very high	98.1	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.013	17%	0.174	C	C	.	.	H	α-helix	trans	-45.8	-43.1	174.7	-30	33.9	0	0	0	115	L55 L59 D90 M106 H107 A108	L55-P104 HydrophobicContact CD1-CB 3.88Å; L55-P104 HydrophobicContact CD1-CG 3.88Å; L55-P104 HydrophobicContact CD2-CB 4.01Å; L55-P104 HydrophobicContact CD2-CG 3.65Å; L55-P104 HydrophobicContact CG-CB 4.34Å; L55-P104 HydrophobicContact CG-CG 4.35Å; L59-P104 HydrophobicContact CD1-CB 3.75Å; D90-P104 WeakPolarHBondContact OD1-CB 3.46Å; D90-P104 VanDerWaalsContact OD1-CD 3.29Å; D90-P104 WeakPolarHBondContact OD1-CD 3.46Å; P104-M106 VanDerWaalsContact C-N 3.27Å; P104-M106 PolarHBondContact O-N 3.3Å; P104-H107 PolarHBondContact O-N 2.86Å; P104-A108 PolarHBondContact O-N 3.32Å
105	H	98.2	Very high	98.1	Very high	50 Å²	50	30.4 Å²	30.4	23%	0.231	16%	0.155	C	C	.	.	H	α-helix	trans	-62.6	-30.7	176.9	63.4	-101	0	0	0	113.7	L59 I64 D90 A103 A108 Y109	L59-H105 HydrophobicContact CD2-CB 4.13Å; I64-H105 HydrophobicContact CD1-CB 4.01Å; I64-H105 HydrophobicContact CG2-CB 3.77Å; D90-H105 IonicContact OD1-CE1 3.96Å; D90-H105 IonicContact OD1-CG 3.45Å; D90-H105 PolarHBondContact OD1-N 3.31Å; D90-H105 IonicContact OD1-ND1 3.87Å; D90-H105 PolarHBondContact OD1-ND1 3.32Å; D90-H105 IonicContact OD2-CE1 2.75Å; D90-H105 IonicContact OD2-CG 3.92Å; D90-H105 IonicContact OD2-ND1 2.89Å; D90-H105 PolarHBondContact OD2-ND1 2.86Å; A103-H105 VanDerWaalsContact C-N 3.26Å; A103-H105 WeakPolarHBondContact CB-CE1 3.37Å; A103-H105 PolarHBondContact O-N 3.37Å; H105-A108 WeakPolarHBondContact O-CB 3.37Å; H105-A108 PolarHBondContact O-N 2.99Å; H105-Y109 HydrophobicContact CB-CE2 4.44Å; H105-Y109 AromaticContact CD2-CE2 3.97Å; H105-Y109 WeakPolarHBondContact O-CD2 3.47Å; H105-Y109 PolarHBondContact O-N 3.47Å
106	M	98.3	Very high	98.2	Very high	26 Å²	26	34.4 Å²	34.4	13%	0.128	18%	0.177	C	C	.	.	H	α-helix	trans	-70.9	-35.8	176.5	-65.4	-51.4	-58.3	0	0	111.9	A103 P104 Y109 A110 M251 V253 Y255	A103-M106 HydrophobicContact CB-CG 4.4Å; A103-M106 WeakPolarHBondContact O-CB 3.46Å; A103-M106 PolarHBondContact O-N 2.88Å; P104-M106 VanDerWaalsContact C-N 3.27Å; P104-M106 PolarHBondContact O-N 3.3Å; M106-Y109 HydrophobicContact CE-CD2 4.44Å; M106-Y109 PolarHBondContact O-N 3.09Å; M106-Y109 HydrophobicContact SD-CD2 3.87Å; M106-Y109 HydrophobicContact SD-CE2 4.36Å; M106-A110 PolarHBondContact O-N 3.42Å; M106-M251 HydrophobicContact CE-CE 4.24Å; M106-V253 HydrophobicContact CE-CG1 4.06Å; M106-Y255 HydrophobicContact CE-CE2 3.52Å; M106-Y255 WeakPolarHBondContact CE-OH 3.37Å
107	H	98.8	Very high	98.3	Very high	14 Å²	14	34 Å²	34	7%	0.065	17%	0.168	C	C	.	.	H	α-helix	trans	-65.4	-41.5	170.8	-62.3	156.2	0	0	0	111.5	R79 A103 P104 Y109 A110 L111 I133 L134	R79-H107 PolarHBondContact NH1-CE1 3.35Å; R79-H107 VanDerWaalsContact NH1-CE1 3.26Å; R79-H107 PolarHBondContact NH1-ND1 3.03Å; A103-H107 PolarHBondContact O-N 3.37Å; P104-H107 PolarHBondContact O-N 2.86Å; H107-Y109 PolarHBondContact O-N 2.91Å; H107-A110 PolarHBondContact O-N 3.48Å; H107-L111 WeakPolarHBondContact O-CB 3.22Å; H107-L111 VanDerWaalsContact O-CG 3.26Å; H107-L111 WeakPolarHBondContact O-CG 3.23Å; H107-L111 PolarHBondContact O-N 3.44Å; H107-I133 WeakPolarHBondContact CE1-CG2 3.46Å; H107-L134 HydrophobicContact CB-CD1 4.05Å
108	A	98.8	Very high	98.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58.3	-47.7	174.2	0	0	0	0	0	111.2	I64 V65 M74 P104 H105 A110 L111 E112	I64-A108 HydrophobicContact CG2-CB 3.75Å; V65-A108 HydrophobicContact CG2-CB 3.72Å; M74-A108 HydrophobicContact CE-CB 4.04Å; M74-A108 HydrophobicContact SD-CB 3.65Å; P104-A108 PolarHBondContact O-N 3.32Å; H105-A108 WeakPolarHBondContact O-CB 3.37Å; H105-A108 PolarHBondContact O-N 2.99Å; A108-A110 PolarHBondContact O-N 2.81Å; A108-L111 PolarHBondContact O-N 3.44Å; A108-E112 VanDerWaalsContact O-CG 3.27Å; A108-E112 WeakPolarHBondContact O-CG 3.4Å; A108-E112 PolarHBondContact O-N 3.04Å
109	Y	98.6	Very high	98.5	Very high	78 Å²	78	29.1 Å²	29.1	31%	0.306	15%	0.147	S	C	.	.	H	α-helix	trans	-59.4	-45.7	176.7	-70	-46.4	0	0	0	112.8	I64 H105 M106 H107 L111 E112 L113 M251	I64-Y109 HydrophobicContact CG2-CE1 4.28Å; H105-Y109 HydrophobicContact CB-CE2 4.44Å; H105-Y109 AromaticContact CD2-CE2 3.97Å; H105-Y109 WeakPolarHBondContact O-CD2 3.47Å; H105-Y109 PolarHBondContact O-N 3.47Å; M106-Y109 HydrophobicContact CE-CD2 4.44Å; M106-Y109 PolarHBondContact O-N 3.09Å; M106-Y109 HydrophobicContact SD-CD2 3.87Å; M106-Y109 HydrophobicContact SD-CE2 4.36Å; H107-Y109 PolarHBondContact O-N 2.91Å; Y109-L111 VanDerWaalsContact C-N 3.34Å; Y109-L111 PolarHBondContact O-N 3.34Å; Y109-E112 PolarHBondContact O-N 2.92Å; Y109-L113 VanDerWaalsContact O-CB 3.27Å; Y109-L113 WeakPolarHBondContact O-CB 3.35Å; Y109-L113 WeakPolarHBondContact O-CD1 3.36Å; Y109-L113 WeakPolarHBondContact O-CG 3.36Å; Y109-L113 PolarHBondContact O-N 3.15Å; Y109-M251 HydrophobicContact CD2-CE 3.69Å; Y109-M251 HydrophobicContact CE2-CE 4.12Å; Y109-M251 HydrophobicContact CG-CE 3.96Å
110	A	98.8	Very high	98.6	Very high	3 Å²	3	33.2 Å²	33.2	3%	0.025	16%	0.164	C	C	.	.	H	α-helix	trans	-59.7	-44.6	177.3	0	0	0	0	0	111.9	M106 H107 A108 L113 L114 L134	M106-A110 PolarHBondContact O-N 3.42Å; H107-A110 PolarHBondContact O-N 3.48Å; A108-A110 PolarHBondContact O-N 2.81Å; A110-L113 PolarHBondContact O-N 2.84Å; A110-L114 WeakPolarHBondContact O-CB 3.33Å; A110-L114 PolarHBondContact O-N 3.46Å; A110-L134 HydrophobicContact CB-CD1 4.45Å; A110-L134 HydrophobicContact CB-CD2 4.09Å
111	L	98.9	Very high	98.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-65.2	-41.8	179.1	-71.5	166.1	0	0	0	112.6	V70 M74 H107 A108 Y109 L114 H115 L118 L134 C137 F138 M141	V70-L111 HydrophobicContact CB-CB 4.49Å; V70-L111 HydrophobicContact CG1-CB 3.79Å; V70-L111 HydrophobicContact CG1-CD1 4.08Å; V70-L111 HydrophobicContact CG2-CB 3.86Å; M74-L111 HydrophobicContact CG-CD1 3.7Å; M74-L111 HydrophobicContact SD-CD1 4.2Å; H107-L111 WeakPolarHBondContact O-CB 3.22Å; H107-L111 VanDerWaalsContact O-CG 3.26Å; H107-L111 WeakPolarHBondContact O-CG 3.23Å; H107-L111 PolarHBondContact O-N 3.44Å; A108-L111 PolarHBondContact O-N 3.44Å; Y109-L111 VanDerWaalsContact C-N 3.34Å; Y109-L111 PolarHBondContact O-N 3.34Å; L111-L114 CarbonylContact O-C 3.55Å; L111-H115 VanDerWaalsContact O-CA 3.28Å; L111-H115 WeakPolarHBondContact O-CA 3.43Å; L111-H115 PolarHBondContact O-N 3.28Å; L111-L118 HydrophobicContact CD2-CD1 4.25Å; L111-L134 HydrophobicContact CD1-CD1 4.47Å; L111-L134 HydrophobicContact CD2-CD1 4.3Å; L111-L134 HydrophobicContact CG-CD1 4.05Å; L111-C137 HydrophobicContact CD1-CB 3.96Å; L111-C137 HydrophobicContact CD2-CB 3.8Å; L111-C137 HydrophobicContact CG-CB 4.41Å; L111-F138 HydrophobicContact CD2-CD1 3.63Å; L111-F138 HydrophobicContact CD2-CE1 3.78Å; L111-F138 HydrophobicContact CG-CE1 4.49Å; L111-M141 HydrophobicContact CD2-CG 3.8Å
112	E	98.8	Very high	98.6	Very high	40 Å²	40	32.3 Å²	32.3	19%	0.187	17%	0.166	C	C	.	.	H	α-helix	trans	-69.8	-40.6	177.7	-65.5	-70.1	-173.7	0	0	111.7	K66 S67 V70 A108 Y109 L114 H115	K66-E112 WeakPolarHBondContact CA-OE1 3.29Å; K66-E112 PolarHBondContact N-OE1 3.33Å; S67-E112 PolarHBondContact N-OE1 3.03Å; S67-E112 PolarHBondContact OG-OE1 3.49Å; S67-E112 PolarHBondContact OG-OE2 3.43Å; V70-E112 HydrophobicContact CG1-CG 4.31Å; V70-E112 HydrophobicContact CG2-CG 4.34Å; A108-E112 VanDerWaalsContact O-CG 3.27Å; A108-E112 WeakPolarHBondContact O-CG 3.4Å; A108-E112 PolarHBondContact O-N 3.04Å; Y109-E112 PolarHBondContact O-N 2.92Å; E112-L114 VanDerWaalsContact C-N 3.28Å; E112-L114 PolarHBondContact O-N 3.1Å; E112-H115 VanDerWaalsContact O-CB 3.31Å; E112-H115 WeakPolarHBondContact O-CB 3.45Å; E112-H115 PolarHBondContact O-N 3.46Å
113	L	98.8	Very high	98.7	Very high	40 Å²	40	33.5 Å²	33.5	21%	0.209	17%	0.169	C	C	.	.	H	α-helix	trans	-67.2	-30.2	179.2	-72.5	167.3	0	0	0	112.8	Y109 A110 R220 I222 L234 L250	Y109-L113 VanDerWaalsContact O-CB 3.27Å; Y109-L113 WeakPolarHBondContact O-CB 3.35Å; Y109-L113 WeakPolarHBondContact O-CD1 3.36Å; Y109-L113 WeakPolarHBondContact O-CG 3.36Å; Y109-L113 PolarHBondContact O-N 3.15Å; A110-L113 PolarHBondContact O-N 2.84Å; L113-R220 VanDerWaalsContact O-CD 3.32Å; L113-R220 WeakPolarHBondContact O-CD 3.48Å; L113-R220 PolarHBondContact O-NH1 3.29Å; L113-I222 HydrophobicContact CB-CD1 4.03Å; L113-I222 HydrophobicContact CB-CG1 4.12Å; L113-I222 HydrophobicContact CD1-CD1 4.33Å; L113-I222 HydrophobicContact CD1-CG2 4.32Å; L113-L234 HydrophobicContact CD1-CD2 3.81Å; L113-L250 HydrophobicContact CD1-CD1 3.59Å; L113-L250 HydrophobicContact CD2-CD1 3.75Å; L113-L250 HydrophobicContact CD2-CD2 4.33Å; L113-L250 HydrophobicContact CG-CD1 4.3Å
114	L	98.9	Very high	98.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	6.3	178.2	-67.7	169.7	0	0	0	112.9	A110 L111 E112 D116 Q117 L118 F138 A197 H199 R220 I222	A110-L114 WeakPolarHBondContact O-CB 3.33Å; A110-L114 PolarHBondContact O-N 3.46Å; L111-L114 CarbonylContact O-C 3.55Å; E112-L114 VanDerWaalsContact C-N 3.28Å; E112-L114 PolarHBondContact O-N 3.1Å; L114-D116 VanDerWaalsContact C-N 3.27Å; L114-D116 PolarHBondContact O-N 2.72Å; L114-D116 VanDerWaalsContact O-N 3.15Å; L114-Q117 PolarHBondContact O-N 3.41Å; L114-L118 HydrophobicContact CB-CD1 3.68Å; L114-L118 HydrophobicContact CB-CG 3.99Å; L114-L118 WeakPolarHBondContact O-CB 3.24Å; L114-L118 WeakPolarHBondContact O-CG 3.38Å; L114-L118 PolarHBondContact O-N 3.39Å; L114-F138 HydrophobicContact CD1-CE1 4.23Å; L114-F138 HydrophobicContact CD1-CE2 4.5Å; L114-F138 HydrophobicContact CD1-CZ 3.75Å; L114-A197 HydrophobicContact CD1-CB 4.46Å; L114-A197 HydrophobicContact CD2-CB 4.05Å; L114-H199 HydrophobicContact CD1-CB 3.95Å; L114-R220 HydrophobicContact CD2-CB 3.92Å; L114-R220 HydrophobicContact CD2-CG 3.79Å; L114-I222 HydrophobicContact CD1-CG1 4.34Å; L114-I222 HydrophobicContact CD2-CG1 3.77Å; L114-I222 HydrophobicContact CG-CG1 3.84Å
115	H	98.8	Very high	98.7	Very high	53 Å²	53	33.3 Å²	33.3	25%	0.245	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-47.3	-170.7	174.2	-82.3	0	0	0	112.6	L111 E112 L118	L111-H115 VanDerWaalsContact O-CA 3.28Å; L111-H115 WeakPolarHBondContact O-CA 3.43Å; L111-H115 PolarHBondContact O-N 3.28Å; E112-H115 VanDerWaalsContact O-CB 3.31Å; E112-H115 WeakPolarHBondContact O-CB 3.45Å; E112-H115 PolarHBondContact O-N 3.46Å; H115-L118 PolarHBondContact O-N 3.08Å
116	D	98.7	Very high	98.8	Very high	110 Å²	110	31 Å²	31	59%	0.588	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-28.5	-175.7	-59.4	-25.4	0	0	0	112.8	L114 H119	L114-D116 VanDerWaalsContact C-N 3.27Å; L114-D116 PolarHBondContact O-N 2.72Å; L114-D116 VanDerWaalsContact O-N 3.15Å; D116-H119 PolarHBondContact O-CD2 3.01Å
117	Q	98.9	Very high	98.8	Very high	19 Å²	19	29.8 Å²	29.8	9%	0.089	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-22.8	175.7	-68.2	74.7	37.6	0	0	112	L114 H119 A122 D196 A197 R220	L114-Q117 PolarHBondContact O-N 3.41Å; Q117-H119 PolarHBondContact O-N 3.13Å; Q117-H119 VanDerWaalsContact O-N 3.17Å; Q117-A122 VanDerWaalsContact O-CB 3.23Å; Q117-A122 WeakPolarHBondContact O-CB 3.26Å; Q117-D196 WeakPolarHBondContact CB-O 3.38Å; Q117-D196 WeakPolarHBondContact CG-O 3Å; Q117-A197 HydrophobicContact CB-CB 3.91Å; Q117-R220 HydrophobicContact CG-CB 3.62Å
118	L	98.9	Very high	98.8	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	-88.5	49.4	174.7	-63.2	168.8	0	0	0	111.3	K69 L111 L114 H115 A124 F138 M141 V142 A197	K69-L118 PolarHBondContact NZ-O 3.46Å; L111-L118 HydrophobicContact CD2-CD1 4.25Å; L114-L118 HydrophobicContact CB-CD1 3.68Å; L114-L118 HydrophobicContact CB-CG 3.99Å; L114-L118 WeakPolarHBondContact O-CB 3.24Å; L114-L118 WeakPolarHBondContact O-CG 3.38Å; L114-L118 PolarHBondContact O-N 3.39Å; H115-L118 PolarHBondContact O-N 3.08Å; L118-A124 HydrophobicContact CD2-CB 3.79Å; L118-F138 HydrophobicContact CD1-CD1 3.47Å; L118-F138 VanDerWaalsContact CD1-CD1 3.47Å; L118-F138 HydrophobicContact CD1-CE1 3.68Å; L118-F138 HydrophobicContact CD1-CG 4.29Å; L118-F138 HydrophobicContact CD2-CB 4.11Å; L118-F138 HydrophobicContact CD2-CD1 4.01Å; L118-F138 HydrophobicContact CD2-CG 3.98Å; L118-F138 HydrophobicContact CG-CD1 4.42Å; L118-M141 HydrophobicContact CB-CB 3.74Å; L118-M141 HydrophobicContact CB-CE 4.15Å; L118-M141 HydrophobicContact CB-CG 4.42Å; L118-M141 HydrophobicContact CD1-CB 4.26Å; L118-M141 HydrophobicContact CD1-CE 4.35Å; L118-M141 HydrophobicContact CD1-CG 4.22Å; L118-M141 HydrophobicContact CG-CB 4.48Å; L118-M141 CarbonylContact O-C 3.56Å; L118-V142 HydrophobicContact CB-CG1 4.2Å; L118-V142 HydrophobicContact CD2-CG1 3.7Å; L118-A197 HydrophobicContact CD2-CB 3.78Å; L118-A197 HydrophobicContact CG-CB 4.18Å
119	H	98.8	Very high	98.8	Very high	85 Å²	85	30.8 Å²	30.8	39%	0.394	16%	0.164	S	C	.	.			trans	-79.7	164.8	175.2	62.4	73.9	0	0	0	111.9	D116 Q117 G121 A122 V142 D196	D116-H119 PolarHBondContact O-CD2 3.01Å; Q117-H119 PolarHBondContact O-N 3.13Å; Q117-H119 VanDerWaalsContact O-N 3.17Å; H119-G121 PolarHBondContact O-N 2.94Å; H119-A122 WeakPolarHBondContact O-CB 3.49Å; H119-A122 PolarHBondContact O-N 3.23Å; H119-V142 WeakPolarHBondContact O-CA 3.23Å; H119-D196 IonicContact NE2-OD1 3.81Å
120	E	98.4	Very high	98.8	Very high	95 Å²	95	27.5 Å²	27.5	44%	0.444	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	132	175.7	-179.4	67.1	-139.5	0	0	110.5	A122 V142 G143 P144 K145	E120-A122 PolarHBondContact O-N 2.93Å; E120-V142 CarbonylContact C-O 3.56Å; E120-V142 WeakPolarHBondContact CA-O 3.29Å; E120-G143 WeakPolarHBondContact OE2-CA 3.05Å; E120-P144 VanDerWaalsContact OE1-CD 3.31Å; E120-P144 WeakPolarHBondContact OE1-CD 3.3Å; E120-K145 WeakPolarHBondContact OE1-CB 3.47Å; E120-K145 PolarHBondContact OE1-N 3.4Å
121	G	98.6	Very high	98.8	Very high	37 Å²	37	27.8 Å²	27.8	38%	0.381	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	79	-1.1	-179.1	0	0	0	0	0	115.4	H119 V142	H119-G121 PolarHBondContact O-N 2.94Å; G121-V142 PolarHBondContact N-O 3.2Å
122	A	98.9	Very high	98.8	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.008	16%	0.155	C	C	.	.			trans	-66.2	156.9	177.2	0	0	0	0	0	112.1	Q117 H119 E120 V142 G146 K147 D196	Q117-A122 VanDerWaalsContact O-CB 3.23Å; Q117-A122 WeakPolarHBondContact O-CB 3.26Å; H119-A122 WeakPolarHBondContact O-CB 3.49Å; H119-A122 PolarHBondContact O-N 3.23Å; E120-A122 PolarHBondContact O-N 2.93Å; A122-V142 HydrophobicContact CB-CB 4.24Å; A122-V142 HydrophobicContact CB-CG1 3.79Å; A122-G146 WeakPolarHBondContact O-CA 3.41Å; A122-K147 PolarHBondContact O-N 3.14Å; A122-D196 WeakPolarHBondContact CA-OD2 3.44Å; A122-D196 HydrophobicContact CB-CB 4.01Å
123	K	98.9	Very high	98.8	Very high	48 Å²	48	26.2 Å²	26.2	21%	0.209	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	125.8	170.8	-162.1	-175.4	-67.2	-162.2	0	110.1	K147 E192 Y195 D196 A197	K123-K147 CarbonylContact C-O 3.23Å; K123-K147 VanDerWaalsContact CA-O 3.27Å; K123-K147 WeakPolarHBondContact CA-O 3.35Å; K123-K147 HydrophobicContact CG-CB 4.47Å; K123-E192 HydrophobicContact CD-CB 4.38Å; K123-E192 WeakPolarHBondContact CD-O 3.33Å; K123-E192 WeakPolarHBondContact CE-O 3.32Å; K123-E192 PolarHBondContact NZ-O 3.49Å; K123-E192 IonicContact NZ-OE2 3.17Å; K123-E192 PolarHBondContact NZ-OE2 3.35Å; K123-E192 VanDerWaalsContact NZ-OE2 3.17Å; K123-Y195 HydrophobicContact CB-CD1 4.37Å; K123-Y195 HydrophobicContact CD-CD1 3.88Å; K123-Y195 HydrophobicContact CD-CE1 3.8Å; K123-Y195 HydrophobicContact CG-CD1 3.78Å; K123-Y195 HydrophobicContact CG-CE1 3.99Å; K123-D196 PolarHBondContact N-OD2 3.27Å; K123-D196 PolarHBondContact O-N 2.77Å; K123-A197 PolarHBondContact O-N 3.37Å
124	A	98.9	Very high	98.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	148.9	179.7	0	0	0	0	0	112.7	L118 F138 K147 V148 I149 A197	L118-A124 HydrophobicContact CD2-CB 3.79Å; A124-F138 HydrophobicContact CB-CB 4.4Å; A124-F138 HydrophobicContact CB-CD2 4.11Å; A124-K147 PolarHBondContact N-O 3.42Å; A124-V148 HydrophobicContact CB-CG1 4.43Å; A124-V148 HydrophobicContact CB-CG2 4.18Å; A124-V148 WeakPolarHBondContact O-CA 3.34Å; A124-I149 PolarHBondContact O-N 3.25Å; A124-A197 CarbonylContact C-O 3.51Å; A124-A197 WeakPolarHBondContact CA-O 3.2Å; A124-A197 HydrophobicContact CB-CB 4.1Å
125	L	98.9	Very high	98.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	128.9	170.4	179.7	66.1	0	0	0	109.7	V127 I149 I151 H189 Y195 A197 I198 H199 L211	L125-V127 HydrophobicContact CD2-CG2 3.84Å; L125-V127 HydrophobicContact CG-CG2 3.86Å; L125-I149 CarbonylContact C-O 3.55Å; L125-I149 WeakPolarHBondContact CA-O 2.97Å; L125-I149 HydrophobicContact CD1-CB 3.94Å; L125-I149 HydrophobicContact CD1-CG2 4.07Å; L125-I151 HydrophobicContact CD1-CG2 4.02Å; L125-H189 HydrophobicContact CD1-CB 4.34Å; L125-Y195 HydrophobicContact CB-CD1 3.79Å; L125-Y195 HydrophobicContact CB-CD2 4.08Å; L125-Y195 HydrophobicContact CB-CE1 3.83Å; L125-Y195 HydrophobicContact CB-CE2 4.13Å; L125-Y195 HydrophobicContact CB-CG 3.92Å; L125-Y195 HydrophobicContact CD2-CD2 4.27Å; L125-Y195 HydrophobicContact CD2-CE2 3.94Å; L125-Y195 HydrophobicContact CG-CE2 4.49Å; L125-A197 PolarHBondContact N-O 3.41Å; L125-I198 HydrophobicContact CB-CG1 4.12Å; L125-I198 HydrophobicContact CB-CG2 4.21Å; L125-I198 HydrophobicContact CD2-CD1 4.45Å; L125-I198 HydrophobicContact CD2-CG2 4.09Å; L125-I198 HydrophobicContact CG-CG2 4.34Å; L125-I198 CarbonylContact O-C 3.6Å; L125-I198 WeakPolarHBondContact O-CA 3.28Å; L125-H199 PolarHBondContact O-N 2.75Å; L125-L211 HydrophobicContact CD2-CD2 3.97Å
126	D	98.9	Very high	98.8	Very high	3 Å²	3	22 Å²	22	2%	0.016	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	102	174.6	-175.1	28	0	0	0	109.3	S135 F138 I149 G150 I151 H199	D126-S135 WeakPolarHBondContact CB-OG 3.43Å; D126-S135 PolarHBondContact OD2-N 3.1Å; D126-S135 VanDerWaalsContact OD2-N 3.08Å; D126-S135 PolarHBondContact OD2-OG 3.41Å; D126-F138 HydrophobicContact CB-CD2 4.2Å; D126-F138 HydrophobicContact CB-CE2 4.1Å; D126-I149 PolarHBondContact N-O 3.25Å; D126-G150 CarbonylContact O-C 3.58Å; D126-G150 WeakPolarHBondContact O-CA 3.25Å; D126-I151 PolarHBondContact O-N 3.43Å; D126-H199 IonicContact OD1-CE1 3.76Å; D126-H199 IonicContact OD1-CG 2.75Å; D126-H199 IonicContact OD1-ND1 3.11Å; D126-H199 PolarHBondContact OD1-ND1 3.41Å
127	V	98.9	Very high	98.8	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	127.9	-178	178.9	0	0	0	0	110.3	L125 I151 I198 H199 V200 G201 L211 L258	L125-V127 HydrophobicContact CD2-CG2 3.84Å; L125-V127 HydrophobicContact CG-CG2 3.86Å; V127-I151 HydrophobicContact CB-CG2 4.23Å; V127-I151 HydrophobicContact CG1-CG2 4.34Å; V127-I151 HydrophobicContact CG2-CG2 3.98Å; V127-I198 HydrophobicContact CG2-CG2 4.38Å; V127-H199 WeakPolarHBondContact CB-O 3.44Å; V127-H199 PolarHBondContact N-O 2.89Å; V127-V200 HydrophobicContact CB-CB 4.28Å; V127-V200 HydrophobicContact CB-CG1 4.1Å; V127-V200 HydrophobicContact CB-CG2 4.06Å; V127-V200 HydrophobicContact CG1-CG1 3.97Å; V127-V200 HydrophobicContact CG2-CG2 4.35Å; V127-G201 PolarHBondContact O-N 3.08Å; V127-L211 HydrophobicContact CG2-CD1 4.41Å; V127-L211 HydrophobicContact CG2-CD2 4.04Å; V127-L258 HydrophobicContact CG1-CD1 4.2Å
128	G	98.6	Very high	98.8	Very high	28 Å²	28	16.1 Å²	16.1	29%	0.289	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	50.6	-169.1	0	0	0	0	0	110.4	G130 I151	G128-G130 PolarHBondContact O-N 3.44Å; G128-G130 VanDerWaalsContact O-N 3.17Å; G128-I151 WeakPolarHBondContact CA-O 3.38Å; G128-I151 PolarHBondContact N-O 2.84Å
129	S	98.7	Very high	98.8	Very high	7 Å²	7	16.1 Å²	16.1	5%	0.049	10%	0.097	C	C	.	.			trans	-62.3	-22.9	-172.9	60	0	0	0	0	113.3	S131 G132 I151	S129-S131 PolarHBondContact O-N 2.82Å; S129-G132 PolarHBondContact O-N 2.8Å; S129-I151 PolarHBondContact N-O 3.2Å; S129-I151 VanDerWaalsContact N-O 3.1Å
130	G	98.6	Very high	98.8	Very high	9 Å²	9	14.4 Å²	14.4	9%	0.093	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	-110.4	170.1	0	0	0	0	0	112.6	G128 G132 D152 S161	G128-G130 PolarHBondContact O-N 3.44Å; G128-G130 VanDerWaalsContact O-N 3.17Å; G130-G132 VanDerWaalsContact C-N 3.26Å; G130-G132 PolarHBondContact O-N 3.07Å; G130-D152 WeakPolarHBondContact CA-OD2 3.31Å; G130-D152 PolarHBondContact N-OD2 2.68Å; G130-S161 WeakPolarHBondContact O-CB 3.48Å
131	S	98.8	Very high	98.9	Very high	8 Å²	8	10 Å²	10	6%	0.056	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-20.5	178.8	68.4	0	0	0	0	114.6	Y82 S129 I133 S161 N164	Y82-S131 WeakPolarHBondContact CD1-O 3.41Å; S129-S131 PolarHBondContact O-N 2.82Å; S131-I133 WeakPolarHBondContact OG-CG2 3.31Å; S131-I133 PolarHBondContact OG-N 3.2Å; S131-S161 VanDerWaalsContact C-CB 3.43Å; S131-S161 WeakPolarHBondContact O-CA 3.41Å; S131-S161 VanDerWaalsContact O-CB 3.23Å; S131-S161 WeakPolarHBondContact O-CB 3.35Å; S131-N164 PolarHBondContact O-ND2 3.03Å; S131-N164 VanDerWaalsContact O-ND2 3.13Å
132	G	98.8	Very high	98.9	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.048	C	C	.	.	S	Bend	trans	88.7	-4.6	-174.5	0	0	0	0	0	115.3	S129 G130 L134 S135 V136	S129-G132 PolarHBondContact O-N 2.8Å; G130-G132 VanDerWaalsContact C-N 3.26Å; G130-G132 PolarHBondContact O-N 3.07Å; G132-L134 PolarHBondContact O-N 2.85Å; G132-S135 WeakPolarHBondContact O-CB 3.5Å; G132-S135 PolarHBondContact O-N 2.79Å; G132-V136 PolarHBondContact O-N 2.92Å; G132-V136 VanDerWaalsContact O-N 3.09Å
133	I	98.9	Very high	98.8	Very high	7 Å²	7	8.4 Å²	8.4	4%	0.036	5%	0.05	C	C	.	.	H	α-helix	trans	-61.3	-43.7	-174.2	-167.2	172.6	0	0	0	113.1	T77 R79 Y82 I101 H107 S131 V136 C137	T77-I133 HydrophobicContact CG2-CD1 4.44Å; T77-I133 HydrophobicContact CG2-CG1 3.73Å; R79-I133 HydrophobicContact CB-CD1 4.09Å; R79-I133 HydrophobicContact CG-CD1 3.81Å; Y82-I133 HydrophobicContact CD1-CB 3.71Å; Y82-I133 HydrophobicContact CD1-CG1 4.33Å; Y82-I133 HydrophobicContact CD2-CB 3.98Å; Y82-I133 HydrophobicContact CD2-CD1 3.83Å; Y82-I133 HydrophobicContact CD2-CG1 3.68Å; Y82-I133 HydrophobicContact CE1-CB 4.19Å; Y82-I133 HydrophobicContact CE2-CB 4.43Å; Y82-I133 HydrophobicContact CE2-CG1 4.05Å; Y82-I133 HydrophobicContact CG-CB 3.59Å; Y82-I133 HydrophobicContact CG-CD1 4.08Å; Y82-I133 HydrophobicContact CG-CG1 3.85Å; I101-I133 HydrophobicContact CD1-CB 4.35Å; I101-I133 HydrophobicContact CD1-CD1 4.04Å; I101-I133 HydrophobicContact CD1-CG2 3.88Å; I101-I133 HydrophobicContact CG1-CG2 4.02Å; H107-I133 WeakPolarHBondContact CE1-CG2 3.46Å; S131-I133 WeakPolarHBondContact OG-CG2 3.31Å; S131-I133 PolarHBondContact OG-N 3.2Å; I133-V136 PolarHBondContact O-N 2.81Å; I133-C137 PolarHBondContact O-N 3.06Å; I133-C137 PolarHBondContact O-SG 3.03Å; I133-C137 VanDerWaalsContact O-SG 3.35Å
134	L	98.9	Very high	98.8	Very high	6 Å²	6	10.9 Å²	10.9	3%	0.031	7%	0.071	C	C	.	.	H	α-helix	trans	-74.9	-36.1	-176.2	-170.3	64.3	0	0	0	111.2	H107 A110 L111 G132 V136 C137 F138 H199	H107-L134 HydrophobicContact CB-CD1 4.05Å; A110-L134 HydrophobicContact CB-CD1 4.45Å; A110-L134 HydrophobicContact CB-CD2 4.09Å; L111-L134 HydrophobicContact CD1-CD1 4.47Å; L111-L134 HydrophobicContact CD2-CD1 4.3Å; L111-L134 HydrophobicContact CG-CD1 4.05Å; G132-L134 PolarHBondContact O-N 2.85Å; L134-V136 PolarHBondContact O-N 3.09Å; L134-C137 HydrophobicContact CD1-CB 4.29Å; L134-C137 WeakPolarHBondContact O-CB 3.41Å; L134-C137 PolarHBondContact O-N 3.26Å; L134-F138 HydrophobicContact CD1-CD1 4.36Å; L134-F138 HydrophobicContact CD1-CE1 3.83Å; L134-F138 HydrophobicContact CD1-CZ 4.22Å; L134-F138 HydrophobicContact CD2-CE1 4.35Å; L134-F138 HydrophobicContact CD2-CE2 4.45Å; L134-F138 HydrophobicContact CD2-CZ 3.89Å; L134-F138 HydrophobicContact CG-CD1 4.38Å; L134-F138 HydrophobicContact CG-CE1 3.85Å; L134-F138 HydrophobicContact CG-CE2 4.24Å; L134-F138 HydrophobicContact CG-CZ 3.76Å; L134-F138 WeakPolarHBondContact O-CG 3.13Å; L134-F138 PolarHBondContact O-N 3.11Å; L134-H199 WeakPolarHBondContact CD2-CE1 3.45Å; L134-H199 VanDerWaalsContact CD2-ND1 3.3Å; L134-H199 WeakPolarHBondContact CD2-ND1 3.33Å
135	S	98.9	Very high	98.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-54.6	-40.6	168.5	-61.5	0	0	0	0	112	D126 G132 A139	D126-S135 WeakPolarHBondContact CB-OG 3.43Å; D126-S135 PolarHBondContact OD2-N 3.1Å; D126-S135 VanDerWaalsContact OD2-N 3.08Å; D126-S135 PolarHBondContact OD2-OG 3.41Å; G132-S135 WeakPolarHBondContact O-CB 3.5Å; G132-S135 PolarHBondContact O-N 2.79Å; S135-A139 PolarHBondContact O-N 3.33Å
136	V	98.9	Very high	98.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-71.5	-42.2	176.1	165.8	0	0	0	0	112.1	T77 Y82 G132 I133 L134 F138 A139 R140 V165 L172 V178	T77-V136 HydrophobicContact CG2-CG1 3.93Å; Y82-V136 WeakPolarHBondContact OH-CG2 3.42Å; G132-V136 PolarHBondContact O-N 2.92Å; G132-V136 VanDerWaalsContact O-N 3.09Å; I133-V136 PolarHBondContact O-N 2.81Å; L134-V136 PolarHBondContact O-N 3.09Å; V136-F138 VanDerWaalsContact C-N 3.29Å; V136-F138 PolarHBondContact O-N 2.92Å; V136-A139 WeakPolarHBondContact O-CB 3.23Å; V136-A139 PolarHBondContact O-N 3.06Å; V136-A139 VanDerWaalsContact O-N 3.11Å; V136-R140 PolarHBondContact O-N 3.45Å; V136-V165 HydrophobicContact CG2-CB 4.19Å; V136-V165 HydrophobicContact CG2-CG1 3.81Å; V136-V165 HydrophobicContact CG2-CG2 3.42Å; V136-V165 VanDerWaalsContact CG2-CG2 3.42Å; V136-L172 HydrophobicContact CB-CD1 4.36Å; V136-L172 HydrophobicContact CG1-CD1 3.68Å; V136-L172 HydrophobicContact CG2-CD1 4.01Å; V136-V178 HydrophobicContact CG2-CG2 4.49Å
137	C	98.9	Very high	98.7	Very high	4 Å²	4	22.2 Å²	22.2	3%	0.027	12%	0.121	C	C	.	.	H	α-helix	trans	-56.4	-45.8	171.9	-68.4	0	0	0	0	111	V73 L111 I133 L134 A139 R140 M141	V73-C137 HydrophobicContact CG1-CB 3.73Å; V73-C137 WeakPolarHBondContact CG1-O 3.47Å; L111-C137 HydrophobicContact CD1-CB 3.96Å; L111-C137 HydrophobicContact CD2-CB 3.8Å; L111-C137 HydrophobicContact CG-CB 4.41Å; I133-C137 PolarHBondContact O-N 3.06Å; I133-C137 PolarHBondContact O-SG 3.03Å; I133-C137 VanDerWaalsContact O-SG 3.35Å; L134-C137 HydrophobicContact CD1-CB 4.29Å; L134-C137 WeakPolarHBondContact O-CB 3.41Å; L134-C137 PolarHBondContact O-N 3.26Å; C137-A139 VanDerWaalsContact C-N 3.32Å; C137-A139 PolarHBondContact O-N 3.16Å; C137-R140 PolarHBondContact O-N 3.03Å; C137-M141 VanDerWaalsContact O-CG 3.31Å; C137-M141 WeakPolarHBondContact O-CG 3.47Å; C137-M141 PolarHBondContact O-N 3.27Å
138	F	98.9	Very high	98.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-59.8	-43.3	174.9	-69.4	-9.8	0	0	0	111.5	L111 L114 L118 A124 D126 L134 V136 R140 M141 V142 V148 H199	L111-F138 HydrophobicContact CD2-CD1 3.63Å; L111-F138 HydrophobicContact CD2-CE1 3.78Å; L111-F138 HydrophobicContact CG-CE1 4.49Å; L114-F138 HydrophobicContact CD1-CE1 4.23Å; L114-F138 HydrophobicContact CD1-CE2 4.5Å; L114-F138 HydrophobicContact CD1-CZ 3.75Å; L118-F138 HydrophobicContact CD1-CD1 3.47Å; L118-F138 VanDerWaalsContact CD1-CD1 3.47Å; L118-F138 HydrophobicContact CD1-CE1 3.68Å; L118-F138 HydrophobicContact CD1-CG 4.29Å; L118-F138 HydrophobicContact CD2-CB 4.11Å; L118-F138 HydrophobicContact CD2-CD1 4.01Å; L118-F138 HydrophobicContact CD2-CG 3.98Å; L118-F138 HydrophobicContact CG-CD1 4.42Å; A124-F138 HydrophobicContact CB-CB 4.4Å; A124-F138 HydrophobicContact CB-CD2 4.11Å; D126-F138 HydrophobicContact CB-CD2 4.2Å; D126-F138 HydrophobicContact CB-CE2 4.1Å; L134-F138 HydrophobicContact CD1-CD1 4.36Å; L134-F138 HydrophobicContact CD1-CE1 3.83Å; L134-F138 HydrophobicContact CD1-CZ 4.22Å; L134-F138 HydrophobicContact CD2-CE1 4.35Å; L134-F138 HydrophobicContact CD2-CE2 4.45Å; L134-F138 HydrophobicContact CD2-CZ 3.89Å; L134-F138 HydrophobicContact CG-CD1 4.38Å; L134-F138 HydrophobicContact CG-CE1 3.85Å; L134-F138 HydrophobicContact CG-CE2 4.24Å; L134-F138 HydrophobicContact CG-CZ 3.76Å; L134-F138 WeakPolarHBondContact O-CG 3.13Å; L134-F138 PolarHBondContact O-N 3.11Å; V136-F138 VanDerWaalsContact C-N 3.29Å; V136-F138 PolarHBondContact O-N 2.92Å; F138-R140 VanDerWaalsContact C-N 3.29Å; F138-R140 PolarHBondContact O-N 2.89Å; F138-M141 WeakPolarHBondContact O-CA 3.43Å; F138-M141 WeakPolarHBondContact O-CB 3.43Å; F138-M141 PolarHBondContact O-N 3.26Å; F138-V142 WeakPolarHBondContact O-CG1 3.33Å; F138-V142 WeakPolarHBondContact O-CG2 3.26Å; F138-V142 PolarHBondContact O-N 2.83Å; F138-V148 HydrophobicContact CB-CG1 4.06Å; F138-V148 HydrophobicContact CB-CG2 3.75Å; F138-V148 HydrophobicContact CD2-CG1 4.36Å; F138-H199 HydrophobicContact CE2-CB 3.64Å; F138-H199 HydrophobicContact CZ-CB 3.6Å
139	A	98.9	Very high	98.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-59.6	-44.1	178.8	0	0	0	0	0	111	S135 V136 C137 M141 V142 G143 V148 L172 R177 V178	S135-A139 PolarHBondContact O-N 3.33Å; V136-A139 WeakPolarHBondContact O-CB 3.23Å; V136-A139 PolarHBondContact O-N 3.06Å; V136-A139 VanDerWaalsContact O-N 3.11Å; C137-A139 VanDerWaalsContact C-N 3.32Å; C137-A139 PolarHBondContact O-N 3.16Å; A139-M141 VanDerWaalsContact C-N 3.34Å; A139-M141 PolarHBondContact O-N 3.11Å; A139-V142 PolarHBondContact O-N 3.35Å; A139-G143 PolarHBondContact O-N 3Å; A139-G143 VanDerWaalsContact O-N 3.13Å; A139-V148 HydrophobicContact CB-CG2 3.98Å; A139-L172 HydrophobicContact CB-CD2 4.12Å; A139-R177 PolarHBondContact O-NH2 3.37Å; A139-V178 HydrophobicContact CB-CG2 3.38Å
140	R	98.9	Very high	98.8	Very high	50 Å²	50	20.5 Å²	20.5	19%	0.189	11%	0.105	C	C	.	.	H	α-helix	trans	-63.4	-37	174.3	-68.7	-179.4	167.8	118.3	2.7	112.3	V73 S76 T77 V136 C137 F138 D168	V73-R140 HydrophobicContact CB-CB 4.5Å; V73-R140 HydrophobicContact CG1-CB 4.05Å; V73-R140 HydrophobicContact CG2-CB 3.9Å; S76-R140 PolarHBondContact O-NH1 2.76Å; S76-R140 PolarHBondContact O-NH2 3.43Å; S76-R140 WeakPolarHBondContact OG-CD 3.39Å; T77-R140 VanDerWaalsContact CG2-NH1 3.3Å; T77-R140 WeakPolarHBondContact OG1-CD 3.48Å; T77-R140 PolarHBondContact OG1-NH1 3.5Å; V136-R140 PolarHBondContact O-N 3.45Å; C137-R140 PolarHBondContact O-N 3.03Å; F138-R140 VanDerWaalsContact C-N 3.29Å; F138-R140 PolarHBondContact O-N 2.89Å; R140-D168 IonicContact CZ-OD1 2.87Å; R140-D168 IonicContact CZ-OD2 3.25Å; R140-D168 IonicContact NH1-OD1 2.95Å; R140-D168 IonicContact NH1-OD2 2.72Å; R140-D168 PolarHBondContact NH1-OD2 3.1Å; R140-D168 IonicContact NH2-OD1 3.41Å; R140-D168 PolarHBondContact NH2-OD1 2.85Å; R140-D168 IonicContact NH2-OD2 2.58Å; R140-D168 PolarHBondContact NH2-OD2 3.18Å; R140-D168 VanDerWaalsContact NH2-OD2 3.11Å
141	M	98.9	Very high	98.8	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	10%	0.102	C	C	.	.	H	α-helix	trans	-65.8	-48	174.9	-68.5	-73.8	-75.6	0	0	113	K69 V70 V73 L111 L118 C137 F138 A139 G143	K69-M141 HydrophobicContact CD-CE 4.06Å; K69-M141 HydrophobicContact CD-SD 4.04Å; K69-M141 WeakPolarHBondContact CE-O 3.46Å; K69-M141 HydrophobicContact CG-CE 4.35Å; K69-M141 HydrophobicContact CG-SD 3.84Å; K69-M141 PolarHBondContact NZ-O 2.89Å; V70-M141 HydrophobicContact CG2-CE 3.93Å; V70-M141 HydrophobicContact CG2-SD 4.25Å; V73-M141 HydrophobicContact CB-CG 4.4Å; V73-M141 HydrophobicContact CB-SD 4.1Å; V73-M141 HydrophobicContact CG1-CG 4.09Å; V73-M141 HydrophobicContact CG1-SD 4.39Å; V73-M141 HydrophobicContact CG2-CG 3.95Å; V73-M141 HydrophobicContact CG2-SD 3.61Å; L111-M141 HydrophobicContact CD2-CG 3.8Å; L118-M141 HydrophobicContact CB-CB 3.74Å; L118-M141 HydrophobicContact CB-CE 4.15Å; L118-M141 HydrophobicContact CB-CG 4.42Å; L118-M141 HydrophobicContact CD1-CB 4.26Å; L118-M141 HydrophobicContact CD1-CE 4.35Å; L118-M141 HydrophobicContact CD1-CG 4.22Å; L118-M141 HydrophobicContact CG-CB 4.48Å; L118-M141 CarbonylContact O-C 3.56Å; C137-M141 VanDerWaalsContact O-CG 3.31Å; C137-M141 WeakPolarHBondContact O-CG 3.47Å; C137-M141 PolarHBondContact O-N 3.27Å; F138-M141 WeakPolarHBondContact O-CA 3.43Å; F138-M141 WeakPolarHBondContact O-CB 3.43Å; F138-M141 PolarHBondContact O-N 3.26Å; A139-M141 VanDerWaalsContact C-N 3.34Å; A139-M141 PolarHBondContact O-N 3.11Å; M141-G143 PolarHBondContact O-N 2.81Å
142	V	98.8	Very high	98.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-78.1	-4.4	-176.8	-54.8	0	0	0	0	113.4	L118 H119 E120 G121 A122 F138 A139 G146 V148	L118-V142 HydrophobicContact CB-CG1 4.2Å; L118-V142 HydrophobicContact CD2-CG1 3.7Å; H119-V142 WeakPolarHBondContact O-CA 3.23Å; E120-V142 CarbonylContact C-O 3.56Å; E120-V142 WeakPolarHBondContact CA-O 3.29Å; G121-V142 PolarHBondContact N-O 3.2Å; A122-V142 HydrophobicContact CB-CB 4.24Å; A122-V142 HydrophobicContact CB-CG1 3.79Å; F138-V142 WeakPolarHBondContact O-CG1 3.33Å; F138-V142 WeakPolarHBondContact O-CG2 3.26Å; F138-V142 PolarHBondContact O-N 2.83Å; A139-V142 PolarHBondContact O-N 3.35Å; V142-G146 WeakPolarHBondContact O-CA 3.42Å; V142-G146 PolarHBondContact O-N 2.91Å; V142-V148 HydrophobicContact CG2-CG2 3.99Å
143	G	98.4	Very high	98.8	Very high	5 Å²	5	22 Å²	22	5%	0.052	11%	0.109	C	C	.	.			trans	66.5	-174.4	171	0	0	0	0	0	115	E120 A139 M141 K145 G146 R177	E120-G143 WeakPolarHBondContact OE2-CA 3.05Å; A139-G143 PolarHBondContact O-N 3Å; A139-G143 VanDerWaalsContact O-N 3.13Å; M141-G143 PolarHBondContact O-N 2.81Å; G143-K145 PolarHBondContact O-N 3.44Å; G143-K145 VanDerWaalsContact O-N 3.15Å; G143-G146 PolarHBondContact O-N 3.24Å; G143-G146 VanDerWaalsContact O-N 3.09Å; G143-R177 VanDerWaalsContact O-CZ 3.25Å; G143-R177 PolarHBondContact O-NE 2.86Å; G143-R177 PolarHBondContact O-NH2 3.17Å
144	P	97.9	Very high	98.7	Very high	100 Å²	100	21.7 Å²	21.7	65%	0.649	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-26.5	-171.3	-26.6	35.7	0	0	0	114.9	E120	E120-P144 VanDerWaalsContact OE1-CD 3.31Å; E120-P144 WeakPolarHBondContact OE1-CD 3.3Å
145	K	98.2	Very high	98.7	Very high	176 Å²	176	26.8 Å²	26.8	77%	0.765	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-11.8	180	-61.5	179.7	-177.7	177.3	0	113.6	E120 G143	E120-K145 WeakPolarHBondContact OE1-CB 3.47Å; E120-K145 PolarHBondContact OE1-N 3.4Å; G143-K145 PolarHBondContact O-N 3.44Å; G143-K145 VanDerWaalsContact O-N 3.15Å
146	G	98.7	Very high	98.7	Very high	4 Å²	4	28.7 Å²	28.7	4%	0.041	14%	0.138	C	C	.	.			trans	-86.4	169	-178.9	0	0	0	0	0	112.9	A122 V142 G143	A122-G146 WeakPolarHBondContact O-CA 3.41Å; V142-G146 WeakPolarHBondContact O-CA 3.42Å; V142-G146 PolarHBondContact O-N 2.91Å; G143-G146 PolarHBondContact O-N 3.24Å; G143-G146 VanDerWaalsContact O-N 3.09Å
147	K	98.8	Very high	98.7	Very high	61 Å²	61	28.8 Å²	28.8	27%	0.265	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	139.1	-177.5	-171.9	174.5	-176.4	-173.9	0	111.3	A122 K123 A124 I149 R177 E192	A122-K147 PolarHBondContact O-N 3.14Å; K123-K147 CarbonylContact C-O 3.23Å; K123-K147 VanDerWaalsContact CA-O 3.27Å; K123-K147 WeakPolarHBondContact CA-O 3.35Å; K123-K147 HydrophobicContact CG-CB 4.47Å; A124-K147 PolarHBondContact N-O 3.42Å; K147-I149 HydrophobicContact CG-CD1 4.4Å; K147-R177 CarbonylContact C-O 3.53Å; K147-E192 IonicContact NZ-OE1 2.74Å; K147-E192 PolarHBondContact NZ-OE1 2.78Å; K147-E192 IonicContact NZ-OE2 2.96Å; K147-E192 PolarHBondContact NZ-OE2 3.12Å
148	V	98.9	Very high	98.6	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	130.3	-179.5	-175.2	0	0	0	0	109.9	A124 F138 A139 V142 R177 V178 K179	A124-V148 HydrophobicContact CB-CG1 4.43Å; A124-V148 HydrophobicContact CB-CG2 4.18Å; A124-V148 WeakPolarHBondContact O-CA 3.34Å; F138-V148 HydrophobicContact CB-CG1 4.06Å; F138-V148 HydrophobicContact CB-CG2 3.75Å; F138-V148 HydrophobicContact CD2-CG1 4.36Å; A139-V148 HydrophobicContact CB-CG2 3.98Å; V142-V148 HydrophobicContact CG2-CG2 3.99Å; V148-R177 PolarHBondContact N-O 3.42Å; V148-V178 WeakPolarHBondContact O-CA 3.35Å; V148-K179 PolarHBondContact O-N 2.98Å
149	I	98.9	Very high	98.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	122.4	170.1	-47.5	-56.6	0	0	0	107.2	A124 L125 D126 K147 K179 I181 H189 E192 Y195	A124-I149 PolarHBondContact O-N 3.25Å; L125-I149 CarbonylContact C-O 3.55Å; L125-I149 WeakPolarHBondContact CA-O 2.97Å; L125-I149 HydrophobicContact CD1-CB 3.94Å; L125-I149 HydrophobicContact CD1-CG2 4.07Å; D126-I149 PolarHBondContact N-O 3.25Å; K147-I149 HydrophobicContact CG-CD1 4.4Å; I149-K179 CarbonylContact C-O 3.53Å; I149-K179 WeakPolarHBondContact CA-O 3.42Å; I149-K179 HydrophobicContact CD1-CB 3.79Å; I149-K179 HydrophobicContact CD1-CD 4.11Å; I149-I181 HydrophobicContact CG2-CD1 3.85Å; I149-I181 HydrophobicContact CG2-CG1 4.13Å; I149-H189 HydrophobicContact CG2-CB 4.4Å; I149-E192 HydrophobicContact CD1-CB 4.16Å; I149-E192 HydrophobicContact CD1-CG 3.78Å; I149-E192 HydrophobicContact CG1-CB 3.88Å; I149-E192 HydrophobicContact CG1-CG 4.05Å; I149-Y195 HydrophobicContact CG1-CE1 4.1Å
150	G	98.9	Very high	98.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	132	167.4	0	0	0	0	0	109.4	D126 K179 L180 I181	D126-G150 CarbonylContact O-C 3.58Å; D126-G150 WeakPolarHBondContact O-CA 3.25Å; G150-K179 PolarHBondContact N-O 3.02Å; G150-L180 CarbonylContact O-C 3.59Å; G150-L180 WeakPolarHBondContact O-CA 3.36Å; G150-I181 PolarHBondContact O-N 2.95Å
151	I	98.9	Very high	98.6	Very high	5 Å²	5	31.9 Å²	31.9	3%	0.026	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	131.6	-179.4	-176.4	166.9	0	0	0	110.4	L125 D126 V127 G128 S129 I181	L125-I151 HydrophobicContact CD1-CG2 4.02Å; D126-I151 PolarHBondContact O-N 3.43Å; V127-I151 HydrophobicContact CB-CG2 4.23Å; V127-I151 HydrophobicContact CG1-CG2 4.34Å; V127-I151 HydrophobicContact CG2-CG2 3.98Å; G128-I151 WeakPolarHBondContact CA-O 3.38Å; G128-I151 PolarHBondContact N-O 2.84Å; S129-I151 PolarHBondContact N-O 3.2Å; S129-I151 VanDerWaalsContact N-O 3.1Å; I151-I181 WeakPolarHBondContact CA-O 3.23Å; I151-I181 HydrophobicContact CB-CD1 4.34Å; I151-I181 HydrophobicContact CB-CG1 3.9Å; I151-I181 HydrophobicContact CD1-CD1 4.14Å; I151-I181 HydrophobicContact CD1-CG1 4.34Å; I151-I181 HydrophobicContact CG1-CD1 4.34Å; I151-I181 HydrophobicContact CG1-CG1 4Å
152	D	98.8	Very high	98.6	Very high	11 Å²	11	33.3 Å²	33.3	6%	0.059	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	144.5	172.9	-159	-64.9	0	0	0	109.8	G130 I154 V158 I181 V182 G183	G130-D152 WeakPolarHBondContact CA-OD2 3.31Å; G130-D152 PolarHBondContact N-OD2 2.68Å; D152-I154 PolarHBondContact OD1-N 3.2Å; D152-V158 HydrophobicContact CB-CG2 3.73Å; D152-I181 PolarHBondContact N-O 2.99Å; D152-I181 VanDerWaalsContact N-O 3.1Å; D152-V182 CarbonylContact O-C 3.52Å; D152-V182 VanDerWaalsContact O-CA 3.24Å; D152-V182 WeakPolarHBondContact O-CA 3.33Å; D152-G183 CarbonylContact C-O 3.56Å; D152-G183 PolarHBondContact O-N 3.03Å
153	H	98.2	Very high	98.6	Very high	31 Å²	31	36.8 Å²	36.8	14%	0.144	19%	0.186	C	C	.	.	S	Bend	trans	-85.2	-10.5	-179.3	67.5	171.4	0	0	0	113.9	G183 T259 R261 Q264	H153-G183 WeakPolarHBondContact CA-O 3.46Å; H153-G183 WeakPolarHBondContact CB-O 3.43Å; H153-G183 PolarHBondContact N-O 3.32Å; H153-T259 PolarHBondContact CE1-O 2.79Å; H153-T259 VanDerWaalsContact CE1-O 3.27Å; H153-T259 PolarHBondContact ND1-O 3.37Å; H153-R261 HydrophobicContact CB-CG 4.49Å; H153-R261 WeakPolarHBondContact ND1-CA 3.17Å; H153-R261 PolarHBondContact ND1-N 2.91Å; H153-Q264 PolarHBondContact CE1-OE1 3.31Å; H153-Q264 PolarHBondContact NE2-OE1 3.16Å
154	I	98.4	Very high	98.6	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.01	19%	0.188	C	C	.	.			trans	-94.8	111.6	174.4	-52.2	-52.3	0	0	0	108.9	Y97 D152 E156 L157 V158 R261 W265	Y97-I154 HydrophobicContact CD1-CG2 3.92Å; Y97-I154 HydrophobicContact CD2-CG2 4.43Å; Y97-I154 HydrophobicContact CG-CG2 3.85Å; D152-I154 PolarHBondContact OD1-N 3.2Å; I154-E156 VanDerWaalsContact C-N 3.26Å; I154-E156 HydrophobicContact CG2-CB 4.31Å; I154-E156 PolarHBondContact O-N 2.93Å; I154-L157 HydrophobicContact CB-CB 4.1Å; I154-L157 HydrophobicContact CB-CD1 3.87Å; I154-L157 HydrophobicContact CB-CG 3.95Å; I154-L157 HydrophobicContact CG1-CD1 4.01Å; I154-L157 HydrophobicContact CG2-CB 4.35Å; I154-L157 HydrophobicContact CG2-CD1 4.32Å; I154-L157 HydrophobicContact CG2-CG 3.99Å; I154-L157 PolarHBondContact O-N 3.26Å; I154-L157 VanDerWaalsContact O-N 3.11Å; I154-V158 PolarHBondContact O-N 2.78Å; I154-R261 HydrophobicContact CD1-CG 3.66Å; I154-W265 HydrophobicContact CD1-CB 3.99Å
155	K	98.2	Very high	98.7	Very high	112 Å²	112	32.6 Å²	32.6	49%	0.487	16%	0.157	S	C	.	.	H	α-helix	trans	-55.1	-43.6	-178.6	-177.7	-174.2	-175.2	-45.2	0	111.9	L157 V158 D159 V182	K155-L157 VanDerWaalsContact C-N 3.31Å; K155-L157 PolarHBondContact O-N 3.47Å; K155-V158 WeakPolarHBondContact O-CB 3.46Å; K155-V158 PolarHBondContact O-N 2.78Å; K155-V158 VanDerWaalsContact O-N 3.14Å; K155-D159 IonicContact NZ-OD1 2.95Å; K155-D159 PolarHBondContact NZ-OD1 2.91Å; K155-D159 IonicContact NZ-OD2 3.53Å; K155-D159 PolarHBondContact NZ-OD2 2.78Å; K155-D159 PolarHBondContact O-N 3.22Å; K155-V182 HydrophobicContact CB-CG1 4.42Å; K155-V182 HydrophobicContact CB-CG2 4.21Å; K155-V182 HydrophobicContact CG-CG2 4.08Å
156	E	98.4	Very high	98.7	Very high	40 Å²	40	29.3 Å²	29.3	19%	0.187	14%	0.143	C	C	.	.	H	α-helix	trans	-64.3	-34.4	-178.1	-64.9	87.4	161.3	0	0	112.6	Y97 I154 D159 D160 R267	Y97-E156 HydrophobicContact CD1-CB 4.39Å; Y97-E156 HydrophobicContact CE1-CB 3.61Å; Y97-E156 HydrophobicContact CE1-CG 3.84Å; Y97-E156 HydrophobicContact CE2-CB 3.76Å; Y97-E156 VanDerWaalsContact OH-CB 3.23Å; Y97-E156 WeakPolarHBondContact OH-CB 3.48Å; I154-E156 VanDerWaalsContact C-N 3.26Å; I154-E156 HydrophobicContact CG2-CB 4.31Å; I154-E156 PolarHBondContact O-N 2.93Å; E156-D159 PolarHBondContact O-N 3.38Å; E156-D160 WeakPolarHBondContact O-CB 3.26Å; E156-D160 PolarHBondContact O-N 3.44Å; E156-R267 IonicContact OE1-CZ 3.29Å; E156-R267 IonicContact OE1-NE 3.81Å; E156-R267 IonicContact OE1-NH2 2.71Å; E156-R267 PolarHBondContact OE1-NH2 2.86Å
157	L	98.6	Very high	98.7	Very high	3 Å²	3	35.5 Å²	35.5	2%	0.016	17%	0.169	C	C	.	.	H	α-helix	trans	-68.6	-37.1	172.8	-71.3	178.9	0	0	0	111.7	I95 Y97 A99 I154 K155 D160 S161	I95-L157 HydrophobicContact CD1-CD2 3.91Å; I95-L157 HydrophobicContact CG1-CD2 3.99Å; Y97-L157 HydrophobicContact CD2-CD2 3.57Å; Y97-L157 HydrophobicContact CD2-CG 3.77Å; Y97-L157 HydrophobicContact CE2-CD2 4.23Å; Y97-L157 HydrophobicContact CG-CD2 4.48Å; Y97-L157 HydrophobicContact CG-CG 4.3Å; A99-L157 HydrophobicContact CB-CD1 3.66Å; I154-L157 HydrophobicContact CB-CB 4.1Å; I154-L157 HydrophobicContact CB-CD1 3.87Å; I154-L157 HydrophobicContact CB-CG 3.95Å; I154-L157 HydrophobicContact CG1-CD1 4.01Å; I154-L157 HydrophobicContact CG2-CB 4.35Å; I154-L157 HydrophobicContact CG2-CD1 4.32Å; I154-L157 HydrophobicContact CG2-CG 3.99Å; I154-L157 PolarHBondContact O-N 3.26Å; I154-L157 VanDerWaalsContact O-N 3.11Å; K155-L157 VanDerWaalsContact C-N 3.31Å; K155-L157 PolarHBondContact O-N 3.47Å; L157-D160 PolarHBondContact O-N 3.43Å; L157-S161 WeakPolarHBondContact O-CB 3.23Å; L157-S161 PolarHBondContact O-N 3.15Å; L157-S161 PolarHBondContact O-OG 3.04Å
158	V	98.8	Very high	98.7	Very high	7 Å²	7	34.2 Å²	34.2	4%	0.042	17%	0.165	C	C	.	.	H	α-helix	trans	-64.7	-44.6	174	179	0	0	0	0	111	D152 I154 K155 D160 S161 V162 L180 I181 V182	D152-V158 HydrophobicContact CB-CG2 3.73Å; I154-V158 PolarHBondContact O-N 2.78Å; K155-V158 WeakPolarHBondContact O-CB 3.46Å; K155-V158 PolarHBondContact O-N 2.78Å; K155-V158 VanDerWaalsContact O-N 3.14Å; V158-D160 PolarHBondContact O-N 3.34Å; V158-S161 WeakPolarHBondContact CA-OG 3.23Å; V158-S161 PolarHBondContact O-N 2.98Å; V158-S161 PolarHBondContact O-OG 3.33Å; V158-V162 WeakPolarHBondContact O-CG2 3.38Å; V158-V162 PolarHBondContact O-N 3.47Å; V158-L180 HydrophobicContact CG1-CB 4.23Å; V158-I181 WeakPolarHBondContact CG2-O 3.23Å; V158-V182 HydrophobicContact CB-CG2 3.8Å; V158-V182 HydrophobicContact CG1-CG2 3.95Å; V158-V182 HydrophobicContact CG2-CB 4.45Å; V158-V182 HydrophobicContact CG2-CG2 3.76Å
159	D	98.7	Very high	98.7	Very high	69 Å²	69	36.1 Å²	36.1	37%	0.369	18%	0.175	S	C	.	.	H	α-helix	trans	-62	-45.1	176.8	-64.7	-23.2	0	0	0	111	K155 E156 V162 N163	K155-D159 IonicContact NZ-OD1 2.95Å; K155-D159 PolarHBondContact NZ-OD1 2.91Å; K155-D159 IonicContact NZ-OD2 3.53Å; K155-D159 PolarHBondContact NZ-OD2 2.78Å; K155-D159 PolarHBondContact O-N 3.22Å; E156-D159 PolarHBondContact O-N 3.38Å; D159-V162 PolarHBondContact O-N 3.17Å; D159-N163 PolarHBondContact O-N 3.45Å; D159-N163 VanDerWaalsContact O-N 3.15Å; D159-N163 PolarHBondContact O-ND2 3.32Å; D159-N163 VanDerWaalsContact O-ND2 3.14Å
160	D	98.8	Very high	98.6	Very high	42 Å²	42	39.2 Å²	39.2	23%	0.225	20%	0.195	C	C	.	.	H	α-helix	trans	-64	-43.1	177.4	-90	1	0	0	0	112.2	R84 E156 L157 V158 V162 N163 N164	R84-D160 IonicContact NH2-OD2 2.74Å; R84-D160 PolarHBondContact NH2-OD2 2.86Å; E156-D160 WeakPolarHBondContact O-CB 3.26Å; E156-D160 PolarHBondContact O-N 3.44Å; L157-D160 PolarHBondContact O-N 3.43Å; V158-D160 PolarHBondContact O-N 3.34Å; D160-V162 PolarHBondContact O-N 3.17Å; D160-N163 CarbonylContact O-C 3.58Å; D160-N163 WeakPolarHBondContact O-CB 3.38Å; D160-N163 PolarHBondContact O-N 3.07Å; D160-N163 VanDerWaalsContact O-N 3.14Å; D160-N164 PolarHBondContact O-N 3.37Å; D160-N164 PolarHBondContact O-ND2 2.99Å; D160-N164 PolarHBondContact O-OD1 2.92Å
161	S	98.8	Very high	98.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.8	-41.6	178	55.9	0	0	0	0	112.1	G130 S131 L157 V158 N163 N164 V165	G130-S161 WeakPolarHBondContact O-CB 3.48Å; S131-S161 VanDerWaalsContact C-CB 3.43Å; S131-S161 WeakPolarHBondContact O-CA 3.41Å; S131-S161 VanDerWaalsContact O-CB 3.23Å; S131-S161 WeakPolarHBondContact O-CB 3.35Å; L157-S161 WeakPolarHBondContact O-CB 3.23Å; L157-S161 PolarHBondContact O-N 3.15Å; L157-S161 PolarHBondContact O-OG 3.04Å; V158-S161 WeakPolarHBondContact CA-OG 3.23Å; V158-S161 PolarHBondContact O-N 2.98Å; V158-S161 PolarHBondContact O-OG 3.33Å; S161-N163 VanDerWaalsContact C-N 3.26Å; S161-N163 PolarHBondContact O-N 3.13Å; S161-N164 WeakPolarHBondContact O-CB 3.32Å; S161-N164 PolarHBondContact O-N 2.84Å; S161-N164 VanDerWaalsContact O-N 3.1Å; S161-V165 VanDerWaalsContact O-CG2 3.31Å; S161-V165 WeakPolarHBondContact O-CG2 3.32Å; S161-V165 PolarHBondContact O-N 3.19Å
162	V	98.9	Very high	98.6	Very high	31 Å²	31	43.9 Å²	43.9	19%	0.188	22%	0.22	C	C	.	.	H	α-helix	trans	-57.7	-42.1	172.6	170.2	0	0	0	0	110.9	V158 D159 D160 V165 K166 L180	V158-V162 WeakPolarHBondContact O-CG2 3.38Å; V158-V162 PolarHBondContact O-N 3.47Å; D159-V162 PolarHBondContact O-N 3.17Å; D160-V162 PolarHBondContact O-N 3.17Å; V162-V165 PolarHBondContact O-N 2.71Å; V162-K166 HydrophobicContact CG1-CD 4.23Å; V162-K166 VanDerWaalsContact O-CG 3.31Å; V162-K166 WeakPolarHBondContact O-CG 3.35Å; V162-K166 PolarHBondContact O-N 2.88Å; V162-L180 HydrophobicContact CG2-CB 3.85Å; V162-L180 HydrophobicContact CG2-CD1 3.85Å; V162-L180 HydrophobicContact CG2-CG 4.49Å
163	N	98.8	Very high	98.6	Very high	73 Å²	73	45.5 Å²	45.5	39%	0.39	23%	0.229	S	C	.	.	H	α-helix	trans	-67.2	-36.6	176.4	-69.2	-35.8	0	0	0	112.5	D159 D160 S161 K166 K167	D159-N163 PolarHBondContact O-N 3.45Å; D159-N163 VanDerWaalsContact O-N 3.15Å; D159-N163 PolarHBondContact O-ND2 3.32Å; D159-N163 VanDerWaalsContact O-ND2 3.14Å; D160-N163 CarbonylContact O-C 3.58Å; D160-N163 WeakPolarHBondContact O-CB 3.38Å; D160-N163 PolarHBondContact O-N 3.07Å; D160-N163 VanDerWaalsContact O-N 3.14Å; S161-N163 VanDerWaalsContact C-N 3.26Å; S161-N163 PolarHBondContact O-N 3.13Å; N163-K166 PolarHBondContact O-N 3.06Å; N163-K167 WeakPolarHBondContact O-CG 3.47Å; N163-K167 PolarHBondContact O-N 3.29Å; N163-K167 VanDerWaalsContact O-N 3.16Å
164	N	98.9	Very high	98.5	Very high	17 Å²	17	49.4 Å²	49.4	9%	0.091	25%	0.254	C	S	.	.	H	α-helix	trans	-64.9	-47.1	175.5	-62.2	-21.8	0	0	0	111	H81 Y82 S131 D160 S161 K166 K167 D168	H81-N164 WeakPolarHBondContact O-CB 3.3Å; H81-N164 PolarHBondContact O-OD1 2.83Å; H81-N164 VanDerWaalsContact O-OD1 3.07Å; Y82-N164 HydrophobicContact CD1-CB 3.61Å; Y82-N164 HydrophobicContact CE1-CB 3.76Å; Y82-N164 HydrophobicContact CG-CB 4.43Å; S131-N164 PolarHBondContact O-ND2 3.03Å; S131-N164 VanDerWaalsContact O-ND2 3.13Å; D160-N164 PolarHBondContact O-N 3.37Å; D160-N164 PolarHBondContact O-ND2 2.99Å; D160-N164 PolarHBondContact O-OD1 2.92Å; S161-N164 WeakPolarHBondContact O-CB 3.32Å; S161-N164 PolarHBondContact O-N 2.84Å; S161-N164 VanDerWaalsContact O-N 3.1Å; N164-K166 VanDerWaalsContact C-N 3.3Å; N164-K166 PolarHBondContact O-N 2.92Å; N164-K167 WeakPolarHBondContact O-CB 3.33Å; N164-K167 PolarHBondContact O-N 3.1Å; N164-D168 PolarHBondContact O-N 3.34Å; N164-D168 VanDerWaalsContact O-N 3.07Å
165	V	98.8	Very high	98.5	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.3	-40.6	176.4	-176.7	0	0	0	0	111.2	Y82 V136 S161 V162 K167 D168 D169 L172 I173 L180	Y82-V165 HydrophobicContact CE1-CG2 4.39Å; V136-V165 HydrophobicContact CG2-CB 4.19Å; V136-V165 HydrophobicContact CG2-CG1 3.81Å; V136-V165 HydrophobicContact CG2-CG2 3.42Å; V136-V165 VanDerWaalsContact CG2-CG2 3.42Å; S161-V165 VanDerWaalsContact O-CG2 3.31Å; S161-V165 WeakPolarHBondContact O-CG2 3.32Å; S161-V165 PolarHBondContact O-N 3.19Å; V162-V165 PolarHBondContact O-N 2.71Å; V165-K167 VanDerWaalsContact C-N 3.26Å; V165-K167 PolarHBondContact O-N 2.85Å; V165-D168 PolarHBondContact O-N 3.14Å; V165-D169 CarbonylContact O-C 3.45Å; V165-D169 VanDerWaalsContact O-C 3.23Å; V165-D169 PolarHBondContact O-N 3.5Å; V165-L172 HydrophobicContact CG1-CB 3.88Å; V165-L172 HydrophobicContact CG1-CD1 4.18Å; V165-I173 HydrophobicContact CB-CD1 4.16Å; V165-I173 HydrophobicContact CB-CG1 4.19Å; V165-I173 HydrophobicContact CG1-CD1 3.92Å; V165-I173 HydrophobicContact CG1-CG1 3.81Å; V165-L180 HydrophobicContact CG2-CD1 3.82Å
166	K	98.6	Very high	98.5	Very high	108 Å²	108	48.9 Å²	48.9	47%	0.47	27%	0.271	S	S	.	.	H	α-helix	trans	-63.4	-29	176	-74.9	172.7	-179.6	174.5	0	113.9	V162 N163 N164	V162-K166 HydrophobicContact CG1-CD 4.23Å; V162-K166 VanDerWaalsContact O-CG 3.31Å; V162-K166 WeakPolarHBondContact O-CG 3.35Å; V162-K166 PolarHBondContact O-N 2.88Å; N163-K166 PolarHBondContact O-N 3.06Å; N164-K166 VanDerWaalsContact C-N 3.3Å; N164-K166 PolarHBondContact O-N 2.92Å
167	K	98.6	Very high	98.5	Very high	134 Å²	134	49.2 Å²	49.2	58%	0.583	27%	0.27	S	S	*	.	H	α-helix	trans	-77	-32.9	175	-68.8	166.3	-171.4	167	0	112.2	N163 N164 V165	N163-K167 WeakPolarHBondContact O-CG 3.47Å; N163-K167 PolarHBondContact O-N 3.29Å; N163-K167 VanDerWaalsContact O-N 3.16Å; N164-K167 WeakPolarHBondContact O-CB 3.33Å; N164-K167 PolarHBondContact O-N 3.1Å; V165-K167 VanDerWaalsContact C-N 3.26Å; V165-K167 PolarHBondContact O-N 2.85Å
168	D	98.7	Very high	98.5	Very high	33 Å²	33	49.2 Å²	49.2	18%	0.176	27%	0.27	C	S	.	.	H	α-helix	trans	-78	-68.6	176.4	-178	0	0	0	0	111	H81 Y82 R140 N164 V165	H81-D168 HydrophobicContact CB-CB 4.24Å; Y82-D168 HydrophobicContact CE2-CB 4.18Å; Y82-D168 VanDerWaalsContact OH-CB 3.32Å; Y82-D168 WeakPolarHBondContact OH-CB 3.35Å; Y82-D168 PolarHBondContact OH-OD2 3.15Å; R140-D168 IonicContact CZ-OD1 2.87Å; R140-D168 IonicContact CZ-OD2 3.25Å; R140-D168 IonicContact NH1-OD1 2.95Å; R140-D168 IonicContact NH1-OD2 2.72Å; R140-D168 PolarHBondContact NH1-OD2 3.1Å; R140-D168 IonicContact NH2-OD1 3.41Å; R140-D168 PolarHBondContact NH2-OD1 2.85Å; R140-D168 IonicContact NH2-OD2 2.58Å; R140-D168 PolarHBondContact NH2-OD2 3.18Å; R140-D168 VanDerWaalsContact NH2-OD2 3.11Å; N164-D168 PolarHBondContact O-N 3.34Å; N164-D168 VanDerWaalsContact O-N 3.07Å; V165-D168 PolarHBondContact O-N 3.14Å
169	D	98.5	Very high	98.5	Very high	41 Å²	41	52.6 Å²	52.6	22%	0.219	28%	0.284	C	S	.	.			trans	-146	101.8	176.7	-178.1	2.3	0	0	0	110.8	V165 N171 L172	V165-D169 CarbonylContact O-C 3.45Å; V165-D169 VanDerWaalsContact O-C 3.23Å; V165-D169 PolarHBondContact O-N 3.5Å; D169-N171 PolarHBondContact O-N 2.93Å; D169-N171 VanDerWaalsContact O-N 3.14Å; D169-N171 WeakPolarHBondContact OD1-CB 3.33Å; D169-N171 PolarHBondContact OD1-N 3.46Å; D169-N171 PolarHBondContact OD1-ND2 3.18Å; D169-N171 VanDerWaalsContact OD1-ND2 3.13Å; D169-L172 HydrophobicContact CB-CD1 4.05Å; D169-L172 HydrophobicContact CB-CG 4.1Å; D169-L172 PolarHBondContact O-N 3.36Å
170	P	98.1	Very high	98.5	Very high	64 Å²	64	50.1 Å²	50.1	42%	0.416	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-20.6	-179.9	26.7	-34	0	0	0	113.1	L172 I173 T174	P170-L172 PolarHBondContact O-N 2.99Å; P170-I173 PolarHBondContact O-N 3.04Å; P170-T174 PolarHBondContact O-N 3.41Å; P170-T174 PolarHBondContact O-OG1 2.82Å
171	N	98.4	Very high	98.5	Very high	103 Å²	103	49.4 Å²	49.4	55%	0.551	27%	0.267	S	S	*	.	H	α-helix	trans	-66.6	-26.2	179	-61.2	-53.1	0	0	0	112.4	D169 I173 T174 S175	D169-N171 PolarHBondContact O-N 2.93Å; D169-N171 VanDerWaalsContact O-N 3.14Å; D169-N171 WeakPolarHBondContact OD1-CB 3.33Å; D169-N171 PolarHBondContact OD1-N 3.46Å; D169-N171 PolarHBondContact OD1-ND2 3.18Å; D169-N171 VanDerWaalsContact OD1-ND2 3.13Å; N171-I173 PolarHBondContact O-N 3.5Å; N171-T174 WeakPolarHBondContact CA-OG1 3.23Å; N171-T174 PolarHBondContact O-N 3.46Å; N171-T174 PolarHBondContact O-OG1 2.87Å; N171-S175 WeakPolarHBondContact O-CB 3.38Å; N171-S175 PolarHBondContact O-N 2.93Å; N171-S175 PolarHBondContact O-OG 3.14Å
172	L	98.4	Very high	98.5	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	29%	0.289	C	S	.	.	H	α-helix	trans	-62.2	-34	177.2	-69.1	175.7	0	0	0	112.1	V136 A139 V165 D169 P170 R177 V178	V136-L172 HydrophobicContact CB-CD1 4.36Å; V136-L172 HydrophobicContact CG1-CD1 3.68Å; V136-L172 HydrophobicContact CG2-CD1 4.01Å; A139-L172 HydrophobicContact CB-CD2 4.12Å; V165-L172 HydrophobicContact CG1-CB 3.88Å; V165-L172 HydrophobicContact CG1-CD1 4.18Å; D169-L172 HydrophobicContact CB-CD1 4.05Å; D169-L172 HydrophobicContact CB-CG 4.1Å; D169-L172 PolarHBondContact O-N 3.36Å; P170-L172 PolarHBondContact O-N 2.99Å; L172-R177 PolarHBondContact O-N 3.14Å; L172-V178 HydrophobicContact CB-CB 4.32Å; L172-V178 HydrophobicContact CB-CG2 3.98Å; L172-V178 PolarHBondContact O-N 2.74Å
173	I	98.2	Very high	98.5	Very high	45 Å²	45	52.7 Å²	52.7	23%	0.231	29%	0.291	C	S	.	.	H	α-helix	trans	-81.4	-48.7	175.6	-58.3	-60.8	0	0	0	110.7	V165 P170 N171 S175 G176 V178 L180	V165-I173 HydrophobicContact CB-CD1 4.16Å; V165-I173 HydrophobicContact CB-CG1 4.19Å; V165-I173 HydrophobicContact CG1-CD1 3.92Å; V165-I173 HydrophobicContact CG1-CG1 3.81Å; P170-I173 PolarHBondContact O-N 3.04Å; N171-I173 PolarHBondContact O-N 3.5Å; I173-S175 VanDerWaalsContact C-N 3.33Å; I173-S175 PolarHBondContact O-N 3.14Å; I173-G176 PolarHBondContact O-N 2.96Å; I173-V178 HydrophobicContact CD1-CB 4.23Å; I173-V178 HydrophobicContact CD1-CG1 4.11Å; I173-L180 HydrophobicContact CD1-CD1 4.47Å
174	T	97.8	Very high	98.5	Very high	112 Å²	112	52 Å²	52	69%	0.687	29%	0.287	S	S	*	.	H	α-helix	trans	-68.7	-30.3	-174.7	58.7	0	0	0	0	113.1	P170 N171 G176	P170-T174 PolarHBondContact O-N 3.41Å; P170-T174 PolarHBondContact O-OG1 2.82Å; N171-T174 WeakPolarHBondContact CA-OG1 3.23Å; N171-T174 PolarHBondContact O-N 3.46Å; N171-T174 PolarHBondContact O-OG1 2.87Å; T174-G176 VanDerWaalsContact C-N 3.25Å; T174-G176 PolarHBondContact O-N 2.92Å
175	S	97.8	Very high	98.5	Very high	71 Å²	71	51.4 Å²	51.4	50%	0.497	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-12.3	172.2	64.2	0	0	0	0	113.7	N171 I173 R177	N171-S175 WeakPolarHBondContact O-CB 3.38Å; N171-S175 PolarHBondContact O-N 2.93Å; N171-S175 PolarHBondContact O-OG 3.14Å; I173-S175 VanDerWaalsContact C-N 3.33Å; I173-S175 PolarHBondContact O-N 3.14Å; S175-R177 PolarHBondContact O-N 3.43Å; S175-R177 WeakPolarHBondContact OG-CG 3.4Å; S175-R177 PolarHBondContact OG-N 3.26Å
176	G	97.9	Very high	98.5	Very high	33 Å²	33	55 Å²	55	34%	0.34	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.2	9.6	-174.9	0	0	0	0	0	114.7	I173 T174 V178	I173-G176 PolarHBondContact O-N 2.96Å; T174-G176 VanDerWaalsContact C-N 3.25Å; T174-G176 PolarHBondContact O-N 2.92Å; G176-V178 VanDerWaalsContact C-N 3.3Å
177	R	98.4	Very high	98.5	Very high	47 Å²	47	55.6 Å²	55.6	18%	0.177	31%	0.305	C	S	.	.	S	Bend	trans	-67	-31.1	175.9	-74	178.2	63.9	-153.1	-0.5	112.5	A139 G143 K147 V148 L172 S175	A139-R177 PolarHBondContact O-NH2 3.37Å; G143-R177 VanDerWaalsContact O-CZ 3.25Å; G143-R177 PolarHBondContact O-NE 2.86Å; G143-R177 PolarHBondContact O-NH2 3.17Å; K147-R177 CarbonylContact C-O 3.53Å; V148-R177 PolarHBondContact N-O 3.42Å; L172-R177 PolarHBondContact O-N 3.14Å; S175-R177 PolarHBondContact O-N 3.43Å; S175-R177 WeakPolarHBondContact OG-CG 3.4Å; S175-R177 PolarHBondContact OG-N 3.26Å
178	V	98.8	Very high	98.5	Very high	3 Å²	3	49.5 Å²	49.5	2%	0.018	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	122.3	171.3	176.2	0	0	0	0	108.8	V136 A139 V148 L172 I173 G176 L180	V136-V178 HydrophobicContact CG2-CG2 4.49Å; A139-V178 HydrophobicContact CB-CG2 3.38Å; V148-V178 WeakPolarHBondContact O-CA 3.35Å; L172-V178 HydrophobicContact CB-CB 4.32Å; L172-V178 HydrophobicContact CB-CG2 3.98Å; L172-V178 PolarHBondContact O-N 2.74Å; I173-V178 HydrophobicContact CD1-CB 4.23Å; I173-V178 HydrophobicContact CD1-CG1 4.11Å; G176-V178 VanDerWaalsContact C-N 3.3Å; V178-L180 HydrophobicContact CG1-CD1 4.2Å; V178-L180 HydrophobicContact CG1-CD2 4.46Å; V178-L180 HydrophobicContact CG1-CG 3.92Å
179	K	98.8	Very high	98.5	Very high	77 Å²	77	48.7 Å²	48.7	34%	0.335	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	113.9	170.3	-167.8	-170.7	179.2	-171.2	0	108.5	V148 I149 G150 I181	V148-K179 PolarHBondContact O-N 2.98Å; I149-K179 CarbonylContact C-O 3.53Å; I149-K179 WeakPolarHBondContact CA-O 3.42Å; I149-K179 HydrophobicContact CD1-CB 3.79Å; I149-K179 HydrophobicContact CD1-CD 4.11Å; G150-K179 PolarHBondContact N-O 3.02Å; K179-I181 HydrophobicContact CD-CG2 4.01Å; K179-I181 HydrophobicContact CG-CG2 3.83Å
180	L	98.9	Very high	98.5	Very high	18 Å²	18	51.1 Å²	51.1	9%	0.094	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	122.2	176.7	-67.2	160.7	0	0	0	108.5	G150 V158 V162 V165 I173 V178	G150-L180 CarbonylContact O-C 3.59Å; G150-L180 WeakPolarHBondContact O-CA 3.36Å; V158-L180 HydrophobicContact CG1-CB 4.23Å; V162-L180 HydrophobicContact CG2-CB 3.85Å; V162-L180 HydrophobicContact CG2-CD1 3.85Å; V162-L180 HydrophobicContact CG2-CG 4.49Å; V165-L180 HydrophobicContact CG2-CD1 3.82Å; I173-L180 HydrophobicContact CD1-CD1 4.47Å; V178-L180 HydrophobicContact CG1-CD1 4.2Å; V178-L180 HydrophobicContact CG1-CD2 4.46Å; V178-L180 HydrophobicContact CG1-CG 3.92Å
181	I	98.8	Very high	98.5	Very high	27 Å²	27	55.5 Å²	55.5	14%	0.138	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	151.2	-171.8	63.7	172.5	0	0	0	112	I149 G150 I151 D152 V158 K179 H189	I149-I181 HydrophobicContact CG2-CD1 3.85Å; I149-I181 HydrophobicContact CG2-CG1 4.13Å; G150-I181 PolarHBondContact O-N 2.95Å; I151-I181 WeakPolarHBondContact CA-O 3.23Å; I151-I181 HydrophobicContact CB-CD1 4.34Å; I151-I181 HydrophobicContact CB-CG1 3.9Å; I151-I181 HydrophobicContact CD1-CD1 4.14Å; I151-I181 HydrophobicContact CD1-CG1 4.34Å; I151-I181 HydrophobicContact CG1-CD1 4.34Å; I151-I181 HydrophobicContact CG1-CG1 4Å; D152-I181 PolarHBondContact N-O 2.99Å; D152-I181 VanDerWaalsContact N-O 3.1Å; V158-I181 WeakPolarHBondContact CG2-O 3.23Å; K179-I181 HydrophobicContact CD-CG2 4.01Å; K179-I181 HydrophobicContact CG-CG2 3.83Å; I181-H189 HydrophobicContact CD1-CB 4.16Å; I181-H189 WeakPolarHBondContact CD1-ND1 3.48Å
182	V	98.8	Very high	98.5	Very high	77 Å²	77	52 Å²	52	47%	0.467	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	128.6	171.5	-172.6	0	0	0	0	109.2	D152 K155 V158	D152-V182 CarbonylContact O-C 3.52Å; D152-V182 VanDerWaalsContact O-CA 3.24Å; D152-V182 WeakPolarHBondContact O-CA 3.33Å; K155-V182 HydrophobicContact CB-CG1 4.42Å; K155-V182 HydrophobicContact CB-CG2 4.21Å; K155-V182 HydrophobicContact CG-CG2 4.08Å; V158-V182 HydrophobicContact CB-CG2 3.8Å; V158-V182 HydrophobicContact CG1-CG2 3.95Å; V158-V182 HydrophobicContact CG2-CB 4.45Å; V158-V182 HydrophobicContact CG2-CG2 3.76Å
183	G	98.5	Very high	98.4	Very high	22 Å²	22	53.5 Å²	53.5	23%	0.227	30%	0.301	C	S	.	.	S	Bend	trans	174.1	171.3	173.8	0	0	0	0	0	114	D152 H153 G185	D152-G183 CarbonylContact C-O 3.56Å; D152-G183 PolarHBondContact O-N 3.03Å; H153-G183 WeakPolarHBondContact CA-O 3.46Å; H153-G183 WeakPolarHBondContact CB-O 3.43Å; H153-G183 PolarHBondContact N-O 3.32Å; G183-G185 PolarHBondContact O-N 3.47Å
184	D	98.6	Very high	98.5	Very high	58 Å²	58	54.4 Å²	54.4	31%	0.31	31%	0.309	S	S	.	.			trans	-75.5	104.9	174.2	-172.9	-14.7	0	0	0	110.3	R186 M187	D184-R186 PolarHBondContact O-N 2.86Å; D184-R186 VanDerWaalsContact O-N 3.11Å; D184-R186 VanDerWaalsContact OD1-CB 3.23Å; D184-R186 WeakPolarHBondContact OD1-CB 3.35Å; D184-R186 WeakPolarHBondContact OD1-CG 3.34Å; D184-R186 IonicContact OD1-CZ 3.77Å; D184-R186 PolarHBondContact OD1-N 3.49Å; D184-R186 IonicContact OD1-NE 3.78Å; D184-R186 PolarHBondContact OD1-NE 3.13Å; D184-R186 IonicContact OD1-NH2 3.85Å; D184-R186 IonicContact OD2-CZ 3.9Å; D184-R186 VanDerWaalsContact OD2-CZ 3.26Å; D184-R186 IonicContact OD2-NE 3.26Å; D184-R186 PolarHBondContact OD2-NE 3.14Å; D184-R186 IonicContact OD2-NH2 2.84Å; D184-R186 PolarHBondContact OD2-NH2 3.31Å; D184-M187 HydrophobicContact CB-CG 4.37Å; D184-M187 WeakPolarHBondContact O-CB 3.32Å; D184-M187 PolarHBondContact O-N 3.08Å
185	G	98.6	Very high	98.5	Very high	6 Å²	6	49 Å²	49	6%	0.062	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-56.4	-24.3	178.8	0	0	0	0	0	115.3	G183 M187 G188	G183-G185 PolarHBondContact O-N 3.47Å; G185-M187 PolarHBondContact O-N 2.77Å; G185-G188 PolarHBondContact O-N 2.93Å
186	R	98.7	Very high	98.6	Very high	76 Å²	76	46.6 Å²	46.6	29%	0.287	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-65.2	-24.2	177.2	-61.1	171.6	-67.5	-171	1.1	112.1	D184 G188 P208 L258 D260	D184-R186 PolarHBondContact O-N 2.86Å; D184-R186 VanDerWaalsContact O-N 3.11Å; D184-R186 VanDerWaalsContact OD1-CB 3.23Å; D184-R186 WeakPolarHBondContact OD1-CB 3.35Å; D184-R186 WeakPolarHBondContact OD1-CG 3.34Å; D184-R186 IonicContact OD1-CZ 3.77Å; D184-R186 PolarHBondContact OD1-N 3.49Å; D184-R186 IonicContact OD1-NE 3.78Å; D184-R186 PolarHBondContact OD1-NE 3.13Å; D184-R186 IonicContact OD1-NH2 3.85Å; D184-R186 IonicContact OD2-CZ 3.9Å; D184-R186 VanDerWaalsContact OD2-CZ 3.26Å; D184-R186 IonicContact OD2-NE 3.26Å; D184-R186 PolarHBondContact OD2-NE 3.14Å; D184-R186 IonicContact OD2-NH2 2.84Å; D184-R186 PolarHBondContact OD2-NH2 3.31Å; R186-G188 VanDerWaalsContact C-N 3.34Å; R186-P208 HydrophobicContact CB-CB 4.43Å; R186-P208 HydrophobicContact CB-CG 4.47Å; R186-P208 WeakPolarHBondContact O-CB 3.37Å; R186-L258 HydrophobicContact CG-CD1 4.33Å; R186-L258 HydrophobicContact CG-CD2 3.71Å; R186-L258 HydrophobicContact CG-CG 3.84Å; R186-D260 IonicContact CZ-OD1 3.6Å; R186-D260 VanDerWaalsContact CZ-OD1 3.29Å; R186-D260 IonicContact NH1-OD1 2.63Å; R186-D260 PolarHBondContact NH1-OD1 3.39Å; R186-D260 IonicContact NH2-OD1 3.87Å; R186-D260 PolarHBondContact NH2-OD1 3.02Å
187	M	98.7	Very high	98.6	Very high	120 Å²	120	45 Å²	45	59%	0.591	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-89.2	-2.1	177.3	-57.6	-52.9	-61.9	0	0	112.9	D184 G185 Q214	D184-M187 HydrophobicContact CB-CG 4.37Å; D184-M187 WeakPolarHBondContact O-CB 3.32Å; D184-M187 PolarHBondContact O-N 3.08Å; G185-M187 PolarHBondContact O-N 2.77Å; M187-Q214 PolarHBondContact O-NE2 3.05Å
188	G	98.6	Very high	98.6	Very high	5 Å²	5	42.8 Å²	42.8	5%	0.052	23%	0.233	C	C	.	.			trans	60	-146.6	-172	0	0	0	0	0	112.2	G185 R186	G185-G188 PolarHBondContact O-N 2.93Å; R186-G188 VanDerWaalsContact C-N 3.34Å
189	H	98.7	Very high	98.7	Very high	17 Å²	17	43 Å²	43	8%	0.079	23%	0.234	C	C	.	.			trans	-143.4	88.2	173	-175.4	54	0	0	0	109.8	L125 I149 I181 E191 E192 A193 Y195 Q214	L125-H189 HydrophobicContact CD1-CB 4.34Å; I149-H189 HydrophobicContact CG2-CB 4.4Å; I181-H189 HydrophobicContact CD1-CB 4.16Å; I181-H189 WeakPolarHBondContact CD1-ND1 3.48Å; H189-E191 VanDerWaalsContact C-N 3.25Å; H189-E191 IonicContact CE1-OE2 2.76Å; H189-E191 PolarHBondContact CE1-OE2 3.07Å; H189-E191 IonicContact NE2-OE2 3.72Å; H189-E191 PolarHBondContact O-N 3.49Å; H189-E192 PolarHBondContact O-N 3.11Å; H189-A193 PolarHBondContact O-N 2.86Å; H189-Y195 WeakPolarHBondContact CB-OH 3.48Å; H189-Y195 PolarHBondContact O-OH 2.92Å; H189-Q214 VanDerWaalsContact C-OE1 3.32Å; H189-Q214 PolarHBondContact O-OE1 3.24Å
190	P	98.4	Very high	98.7	Very high	91 Å²	91	39.3 Å²	39.3	59%	0.591	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-25.2	-171.8	24.6	-34.3	0	0	0	113.7	E192 A193	P190-E192 PolarHBondContact O-N 3.12Å; P190-A193 WeakPolarHBondContact O-CB 3.24Å; P190-A193 PolarHBondContact O-N 3.33Å
191	E	98.3	Very high	98.6	Very high	156 Å²	156	39 Å²	39	73%	0.729	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-27.5	179	-64.9	175.4	-160.5	0	0	113.3	H189	H189-E191 VanDerWaalsContact C-N 3.25Å; H189-E191 IonicContact CE1-OE2 2.76Å; H189-E191 PolarHBondContact CE1-OE2 3.07Å; H189-E191 IonicContact NE2-OE2 3.72Å; H189-E191 PolarHBondContact O-N 3.49Å
192	E	98	Very high	98.5	Very high	31 Å²	31	38 Å²	38	15%	0.145	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-1.6	178.8	-66.6	-81.6	-176.4	0	0	112.1	K123 K147 I149 H189 P190 Y195	K123-E192 HydrophobicContact CD-CB 4.38Å; K123-E192 WeakPolarHBondContact CD-O 3.33Å; K123-E192 WeakPolarHBondContact CE-O 3.32Å; K123-E192 PolarHBondContact NZ-O 3.49Å; K123-E192 IonicContact NZ-OE2 3.17Å; K123-E192 PolarHBondContact NZ-OE2 3.35Å; K123-E192 VanDerWaalsContact NZ-OE2 3.17Å; K147-E192 IonicContact NZ-OE1 2.74Å; K147-E192 PolarHBondContact NZ-OE1 2.78Å; K147-E192 IonicContact NZ-OE2 2.96Å; K147-E192 PolarHBondContact NZ-OE2 3.12Å; I149-E192 HydrophobicContact CD1-CB 4.16Å; I149-E192 HydrophobicContact CD1-CG 3.78Å; I149-E192 HydrophobicContact CG1-CB 3.88Å; I149-E192 HydrophobicContact CG1-CG 4.05Å; H189-E192 PolarHBondContact O-N 3.11Å; P190-E192 PolarHBondContact O-N 3.12Å; E192-Y195 HydrophobicContact CB-CE1 4.37Å; E192-Y195 WeakPolarHBondContact CB-OH 3.37Å
193	A	98	Very high	98.5	Very high	31 Å²	31	34.5 Å²	34.5	26%	0.256	19%	0.194	S	C	.	.			trans	-61.4	157.1	172.5	0	0	0	0	0	111	H189 P190 Y195 Q214	H189-A193 PolarHBondContact O-N 2.86Å; P190-A193 WeakPolarHBondContact O-CB 3.24Å; P190-A193 PolarHBondContact O-N 3.33Å; A193-Y195 HydrophobicContact CB-CD2 4.34Å; A193-Y195 HydrophobicContact CB-CE2 3.86Å; A193-Q214 HydrophobicContact CB-CB 3.92Å; A193-Q214 HydrophobicContact CB-CG 3.73Å
194	P	98.8	Very high	98.4	Very high	64 Å²	64	33.6 Å²	33.6	42%	0.416	19%	0.185	S	C	.	.			cis	-88.6	162.8	-0.1	37.2	-37.7	0	0	0	113.8	Q214 K216	P194-Q214 CarbonylContact C-O 3.58Å; P194-Q214 WeakPolarHBondContact CA-O 3.12Å; P194-Q214 WeakPolarHBondContact CB-O 3.35Å; P194-K216 HydrophobicContact CB-CG 3.57Å; P194-K216 HydrophobicContact CG-CD 4.41Å; P194-K216 HydrophobicContact CG-CG 3.54Å; P194-K216 WeakPolarHBondContact O-CE 3.15Å
195	Y	98.9	Very high	98.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	143.6	-175.1	-57.4	-80	0	0	0	112.9	K123 L125 I149 H189 E192 A193 I198 Q214 K216	K123-Y195 HydrophobicContact CB-CD1 4.37Å; K123-Y195 HydrophobicContact CD-CD1 3.88Å; K123-Y195 HydrophobicContact CD-CE1 3.8Å; K123-Y195 HydrophobicContact CG-CD1 3.78Å; K123-Y195 HydrophobicContact CG-CE1 3.99Å; L125-Y195 HydrophobicContact CB-CD1 3.79Å; L125-Y195 HydrophobicContact CB-CD2 4.08Å; L125-Y195 HydrophobicContact CB-CE1 3.83Å; L125-Y195 HydrophobicContact CB-CE2 4.13Å; L125-Y195 HydrophobicContact CB-CG 3.92Å; L125-Y195 HydrophobicContact CD2-CD2 4.27Å; L125-Y195 HydrophobicContact CD2-CE2 3.94Å; L125-Y195 HydrophobicContact CG-CE2 4.49Å; I149-Y195 HydrophobicContact CG1-CE1 4.1Å; H189-Y195 WeakPolarHBondContact CB-OH 3.48Å; H189-Y195 PolarHBondContact O-OH 2.92Å; E192-Y195 HydrophobicContact CB-CE1 4.37Å; E192-Y195 WeakPolarHBondContact CB-OH 3.37Å; A193-Y195 HydrophobicContact CB-CD2 4.34Å; A193-Y195 HydrophobicContact CB-CE2 3.86Å; Y195-I198 HydrophobicContact CD2-CD1 4.06Å; Y195-I198 HydrophobicContact CD2-CG1 4.27Å; Y195-I198 HydrophobicContact CG-CD1 4.48Å; Y195-I198 HydrophobicContact CG-CG1 4.22Å; Y195-Q214 HydrophobicContact CD2-CB 4.03Å; Y195-Q214 HydrophobicContact CE2-CB 4.22Å; Y195-Q214 PolarHBondContact N-O 2.9Å; Y195-K216 PolarHBondContact O-N 3.1Å
196	D	98.9	Very high	98.1	Very high	19 Å²	19	39.5 Å²	39.5	10%	0.102	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	-37.9	169.9	-52.3	-81.1	0	0	0	110.2	Q117 H119 A122 K123 K216 G219 R220	Q117-D196 WeakPolarHBondContact CB-O 3.38Å; Q117-D196 WeakPolarHBondContact CG-O 3Å; H119-D196 IonicContact NE2-OD1 3.81Å; A122-D196 WeakPolarHBondContact CA-OD2 3.44Å; A122-D196 HydrophobicContact CB-CB 4.01Å; K123-D196 PolarHBondContact N-OD2 3.27Å; K123-D196 PolarHBondContact O-N 2.77Å; D196-K216 WeakPolarHBondContact OD1-CD 3.37Å; D196-K216 IonicContact OD1-NZ 2.96Å; D196-K216 PolarHBondContact OD1-NZ 3.33Å; D196-K216 IonicContact OD2-NZ 2.73Å; D196-K216 PolarHBondContact OD2-NZ 2.87Å; D196-G219 CarbonylContact O-C 3.59Å; D196-G219 WeakPolarHBondContact O-CA 3.49Å; D196-R220 PolarHBondContact O-N 3.47Å
197	A	98.9	Very high	98.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	133.6	180	0	0	0	0	0	111.4	L114 Q117 L118 K123 A124 L125 R220	L114-A197 HydrophobicContact CD1-CB 4.46Å; L114-A197 HydrophobicContact CD2-CB 4.05Å; Q117-A197 HydrophobicContact CB-CB 3.91Å; L118-A197 HydrophobicContact CD2-CB 3.78Å; L118-A197 HydrophobicContact CG-CB 4.18Å; K123-A197 PolarHBondContact O-N 3.37Å; A124-A197 CarbonylContact C-O 3.51Å; A124-A197 WeakPolarHBondContact CA-O 3.2Å; A124-A197 HydrophobicContact CB-CB 4.1Å; L125-A197 PolarHBondContact N-O 3.41Å; A197-R220 CarbonylContact C-O 3.59Å; A197-R220 WeakPolarHBondContact CA-O 3.25Å
198	I	98.9	Very high	98	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	130	168.3	-54	179.7	0	0	0	108.5	L125 V127 Y195 L211 L215 R220 L221 I222	L125-I198 HydrophobicContact CB-CG1 4.12Å; L125-I198 HydrophobicContact CB-CG2 4.21Å; L125-I198 HydrophobicContact CD2-CD1 4.45Å; L125-I198 HydrophobicContact CD2-CG2 4.09Å; L125-I198 HydrophobicContact CG-CG2 4.34Å; L125-I198 CarbonylContact O-C 3.6Å; L125-I198 WeakPolarHBondContact O-CA 3.28Å; V127-I198 HydrophobicContact CG2-CG2 4.38Å; Y195-I198 HydrophobicContact CD2-CD1 4.06Å; Y195-I198 HydrophobicContact CD2-CG1 4.27Å; Y195-I198 HydrophobicContact CG-CD1 4.48Å; Y195-I198 HydrophobicContact CG-CG1 4.22Å; I198-L211 HydrophobicContact CD1-CB 4.46Å; I198-L211 VanDerWaalsContact CD1-O 3.23Å; I198-L211 WeakPolarHBondContact CD1-O 3.26Å; I198-L211 HydrophobicContact CG2-CD2 4.38Å; I198-L215 HydrophobicContact CB-CD2 4.32Å; I198-L215 HydrophobicContact CD1-CD2 3.66Å; I198-L215 HydrophobicContact CD1-CG 3.95Å; I198-L215 HydrophobicContact CG1-CD2 3.7Å; I198-R220 PolarHBondContact N-O 3.37Å; I198-L221 HydrophobicContact CB-CB 4.33Å; I198-L221 HydrophobicContact CB-CD1 3.74Å; I198-L221 HydrophobicContact CG2-CD1 3.5Å; I198-L221 VanDerWaalsContact CG2-CD1 3.5Å; I198-L221 CarbonylContact O-C 3.6Å; I198-L221 VanDerWaalsContact O-CA 3.29Å; I198-L221 WeakPolarHBondContact O-CA 3.49Å; I198-I222 PolarHBondContact O-N 2.76Å
199	H	98.9	Very high	98	Very high	7 Å²	7	37.7 Å²	37.7	3%	0.032	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	144.3	170.1	171.1	-97.6	0	0	0	109.4	L114 L125 D126 V127 L134 F138 G201 I222	L114-H199 HydrophobicContact CD1-CB 3.95Å; L125-H199 PolarHBondContact O-N 2.75Å; D126-H199 IonicContact OD1-CE1 3.76Å; D126-H199 IonicContact OD1-CG 2.75Å; D126-H199 IonicContact OD1-ND1 3.11Å; D126-H199 PolarHBondContact OD1-ND1 3.41Å; V127-H199 WeakPolarHBondContact CB-O 3.44Å; V127-H199 PolarHBondContact N-O 2.89Å; L134-H199 WeakPolarHBondContact CD2-CE1 3.45Å; L134-H199 VanDerWaalsContact CD2-ND1 3.3Å; L134-H199 WeakPolarHBondContact CD2-ND1 3.33Å; F138-H199 HydrophobicContact CE2-CB 3.64Å; F138-H199 HydrophobicContact CZ-CB 3.6Å; H199-G201 VanDerWaalsContact CE1-CA 3.47Å; H199-G201 WeakPolarHBondContact CE1-CA 3.39Å; H199-G201 PolarHBondContact CE1-N 3.11Å; H199-I222 CarbonylContact C-O 3.48Å; H199-I222 WeakPolarHBondContact CA-O 3.45Å
200	V	98.9	Very high	98	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	113.1	171.6	-170.8	0	0	0	0	109.1	V127 A202 L211 L221 I222 L223 P224 L258	V127-V200 HydrophobicContact CB-CB 4.28Å; V127-V200 HydrophobicContact CB-CG1 4.1Å; V127-V200 HydrophobicContact CB-CG2 4.06Å; V127-V200 HydrophobicContact CG1-CG1 3.97Å; V127-V200 HydrophobicContact CG2-CG2 4.35Å; V200-A202 VanDerWaalsContact CG1-O 3.26Å; V200-A202 WeakPolarHBondContact CG1-O 3.31Å; V200-A202 PolarHBondContact O-N 3.25Å; V200-L211 HydrophobicContact CG2-CD1 3.65Å; V200-L221 HydrophobicContact CG2-CD1 3.84Å; V200-I222 PolarHBondContact N-O 3.46Å; V200-L223 HydrophobicContact CB-CB 3.62Å; V200-L223 HydrophobicContact CG1-CB 4.46Å; V200-L223 HydrophobicContact CG2-CB 3.67Å; V200-L223 HydrophobicContact CG2-CD1 4.48Å; V200-P224 WeakPolarHBondContact O-CD 3.38Å; V200-L258 HydrophobicContact CG1-CD1 4.48Å; V200-L258 HydrophobicContact CG1-CD2 4.02Å
201	G	98.1	Very high	98	Very high	11 Å²	11	33.5 Å²	33.5	11%	0.113	20%	0.202	C	C	.	.	S	Bend	trans	-80.6	17.8	179.3	0	0	0	0	0	114.8	V127 H199 Y255	V127-G201 PolarHBondContact O-N 3.08Å; H199-G201 VanDerWaalsContact CE1-CA 3.47Å; H199-G201 WeakPolarHBondContact CE1-CA 3.39Å; H199-G201 PolarHBondContact CE1-N 3.11Å; G201-Y255 WeakPolarHBondContact O-CD1 3.32Å
202	A	97.2	Very high	98.1	Very high	8 Å²	8	26.8 Å²	26.8	7%	0.066	17%	0.17	C	C	.	.	S	Bend	trans	-149.9	144.6	-177.5	0	0	0	0	0	110.9	V200 A204 P224 V256 L258	V200-A202 VanDerWaalsContact CG1-O 3.26Å; V200-A202 WeakPolarHBondContact CG1-O 3.31Å; V200-A202 PolarHBondContact O-N 3.25Å; A202-A204 PolarHBondContact O-N 2.63Å; A202-P224 WeakPolarHBondContact O-CD 3.27Å; A202-V256 CarbonylContact C-O 3.43Å; A202-V256 VanDerWaalsContact CA-O 3.23Å; A202-V256 WeakPolarHBondContact CA-O 3.13Å; A202-V256 HydrophobicContact CB-CG2 4.14Å; A202-V256 WeakPolarHBondContact CB-O 3.38Å; A202-L258 HydrophobicContact CB-CB 3.78Å; A202-L258 HydrophobicContact CB-CD1 4.16Å
203	A	97.2	Very high	98.1	Very high	3 Å²	3	30 Å²	30	3%	0.025	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-77.4	120.1	-174.8	0	0	0	0	0	112	P224 Q232 V256 L258	A203-P224 WeakPolarHBondContact CA-O 3.4Å; A203-P224 HydrophobicContact CB-CB 3.9Å; A203-P224 HydrophobicContact CB-CG 4.29Å; A203-Q232 HydrophobicContact CB-CG 4.03Å; A203-V256 PolarHBondContact N-O 2.85Å; A203-L258 WeakPolarHBondContact O-CB 3.45Å; A203-L258 PolarHBondContact O-N 2.84Å
204	A	97.1	Very high	98.1	Very high	3 Å²	3	29.4 Å²	29.4	3%	0.025	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-88.4	138.9	176.4	0	0	0	0	0	111	A202 T206 P208 L223 P224 V225 G226 L258	A202-A204 PolarHBondContact O-N 2.63Å; A204-T206 VanDerWaalsContact C-N 3.25Å; A204-T206 VanDerWaalsContact CB-O 3.23Å; A204-T206 WeakPolarHBondContact CB-O 3.37Å; A204-T206 PolarHBondContact O-N 3.47Å; A204-P208 HydrophobicContact CB-CG 4.49Å; A204-L223 HydrophobicContact CB-CD1 4.34Å; A204-P224 PolarHBondContact N-O 2.74Å; A204-V225 WeakPolarHBondContact O-CA 3.47Å; A204-G226 PolarHBondContact O-N 2.94Å; A204-L258 HydrophobicContact CB-CB 4.35Å; A204-L258 HydrophobicContact CB-CD2 3.81Å
205	A	95.5	Very high	98.1	Very high	78 Å²	78	26.6 Å²	26.6	65%	0.645	16%	0.162	S	C	*	.	S	Bend	trans	-63.4	-36.5	173.2	0	0	0	0	0	111.7
206	T	95.5	Very high	98.1	Very high	110 Å²	110	29.3 Å²	29.3	68%	0.675	17%	0.174	S	C	*	.	S	Bend	trans	-139.5	153.8	171.9	56.1	0	0	0	0	108.9	A204 P208	A204-T206 VanDerWaalsContact C-N 3.25Å; A204-T206 VanDerWaalsContact CB-O 3.23Å; A204-T206 WeakPolarHBondContact CB-O 3.37Å; A204-T206 PolarHBondContact O-N 3.47Å; T206-P208 WeakPolarHBondContact O-CD 3.37Å
207	V	97.8	Very high	98.1	Very high	31 Å²	31	31.9 Å²	31.9	19%	0.188	19%	0.192	C	C	.	.			trans	-65.9	123.9	179.6	-177.9	0	0	0	0	110.3	Q209 L212 L221 L223 V225 Y237	V207-Q209 PolarHBondContact O-N 3.14Å; V207-L212 HydrophobicContact CG1-CD1 4.03Å; V207-L212 HydrophobicContact CG1-CD2 4.41Å; V207-L212 HydrophobicContact CG1-CG 4.16Å; V207-L221 HydrophobicContact CG1-CD2 4.25Å; V207-L223 HydrophobicContact CB-CD1 4.4Å; V207-L223 HydrophobicContact CG1-CD1 4.05Å; V207-L223 HydrophobicContact CG1-CD2 4.47Å; V207-L223 HydrophobicContact CG2-CD1 4.16Å; V207-L223 HydrophobicContact CG2-CD2 4.41Å; V207-V225 HydrophobicContact CG2-CG1 4.44Å; V207-V225 HydrophobicContact CG2-CG2 3.65Å; V207-Y237 HydrophobicContact CG1-CE2 4.31Å; V207-Y237 HydrophobicContact CG2-CE2 3.81Å; V207-Y237 VanDerWaalsContact CG2-OH 3.24Å; V207-Y237 WeakPolarHBondContact CG2-OH 3.44Å
208	P	98.3	Very high	98.1	Very high	18 Å²	18	33.9 Å²	33.9	12%	0.117	21%	0.212	C	C	.	.			trans	-70.4	116.1	178.8	-16.9	30.6	0	0	0	111	R186 A204 T206 A210 L211 L258	R186-P208 HydrophobicContact CB-CB 4.43Å; R186-P208 HydrophobicContact CB-CG 4.47Å; R186-P208 WeakPolarHBondContact O-CB 3.37Å; A204-P208 HydrophobicContact CB-CG 4.49Å; T206-P208 WeakPolarHBondContact O-CD 3.37Å; P208-A210 PolarHBondContact O-N 3.08Å; P208-L211 HydrophobicContact CB-CD1 4.14Å; P208-L211 HydrophobicContact CB-CG 4.1Å; P208-L211 HydrophobicContact CG-CD1 3.97Å; P208-L211 HydrophobicContact CG-CG 4.48Å; P208-L211 PolarHBondContact O-N 2.85Å; P208-L258 HydrophobicContact CG-CD2 4.18Å
209	Q	98.4	Very high	98.1	Very high	113 Å²	113	34 Å²	34	53%	0.528	21%	0.213	S	C	.	.	H	α-helix	trans	-57.2	-35.8	-178.5	-173.2	58.9	46.9	0	0	112.4	V207 L211 L212 D213	V207-Q209 PolarHBondContact O-N 3.14Å; Q209-L211 PolarHBondContact O-N 3.09Å; Q209-L211 VanDerWaalsContact O-N 3.15Å; Q209-L212 WeakPolarHBondContact O-CB 3.33Å; Q209-L212 PolarHBondContact O-N 3.39Å; Q209-D213 PolarHBondContact NE2-OD1 3.44Å; Q209-D213 VanDerWaalsContact O-CG 3.26Å; Q209-D213 PolarHBondContact O-N 2.81Å
210	A	98.6	Very high	98.1	Very high	21 Å²	21	35.5 Å²	35.5	17%	0.174	22%	0.218	C	C	.	.	H	α-helix	trans	-57.1	-31.8	178.2	0	0	0	0	0	113.2	P208 Q214	P208-A210 PolarHBondContact O-N 3.08Å; A210-Q214 WeakPolarHBondContact O-CB 3.21Å; A210-Q214 WeakPolarHBondContact O-CG 3.37Å; A210-Q214 PolarHBondContact O-N 3.35Å; A210-Q214 PolarHBondContact O-NE2 3Å
211	L	98.8	Very high	98.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-73	-39.4	176.9	-61.2	-179	0	0	0	111.5	L125 V127 I198 V200 P208 Q209 D213 Q214 L215 L221	L125-L211 HydrophobicContact CD2-CD2 3.97Å; V127-L211 HydrophobicContact CG2-CD1 4.41Å; V127-L211 HydrophobicContact CG2-CD2 4.04Å; I198-L211 HydrophobicContact CD1-CB 4.46Å; I198-L211 VanDerWaalsContact CD1-O 3.23Å; I198-L211 WeakPolarHBondContact CD1-O 3.26Å; I198-L211 HydrophobicContact CG2-CD2 4.38Å; V200-L211 HydrophobicContact CG2-CD1 3.65Å; P208-L211 HydrophobicContact CB-CD1 4.14Å; P208-L211 HydrophobicContact CB-CG 4.1Å; P208-L211 HydrophobicContact CG-CD1 3.97Å; P208-L211 HydrophobicContact CG-CG 4.48Å; P208-L211 PolarHBondContact O-N 2.85Å; Q209-L211 PolarHBondContact O-N 3.09Å; Q209-L211 VanDerWaalsContact O-N 3.15Å; L211-D213 VanDerWaalsContact C-N 3.33Å; L211-Q214 PolarHBondContact O-N 2.89Å; L211-L215 PolarHBondContact O-N 3.28Å; L211-L221 HydrophobicContact CB-CD2 4.24Å; L211-L221 HydrophobicContact CD1-CD1 4.41Å
212	L	98.6	Very high	98.1	Very high	14 Å²	14	35 Å²	35	7%	0.073	21%	0.213	C	C	.	.	H	α-helix	trans	-65.8	-37.5	175.1	-62.6	177.7	0	0	0	112	V207 Q209 Q214 L215 L221 Y237 K239 T245	V207-L212 HydrophobicContact CG1-CD1 4.03Å; V207-L212 HydrophobicContact CG1-CD2 4.41Å; V207-L212 HydrophobicContact CG1-CG 4.16Å; Q209-L212 WeakPolarHBondContact O-CB 3.33Å; Q209-L212 PolarHBondContact O-N 3.39Å; L212-Q214 VanDerWaalsContact C-N 3.28Å; L212-Q214 PolarHBondContact O-N 3.29Å; L212-L215 HydrophobicContact CD2-CD1 4.38Å; L212-L215 PolarHBondContact O-N 3.48Å; L212-L221 HydrophobicContact CD2-CD2 3.63Å; L212-L221 HydrophobicContact CG-CD2 4.37Å; L212-Y237 HydrophobicContact CD1-CD1 4.4Å; L212-Y237 HydrophobicContact CD2-CD1 3.74Å; L212-Y237 HydrophobicContact CD2-CG 3.87Å; L212-K239 PolarHBondContact O-NZ 3.38Å; L212-T245 HydrophobicContact CD2-CG2 4.13Å
213	D	98.6	Very high	98.2	Very high	98 Å²	98	34.6 Å²	34.6	52%	0.524	21%	0.21	S	C	.	.	H	α-helix	trans	-67.4	-32.6	178.6	-63.9	-17.7	0	0	0	111.5	Q209 L211	Q209-D213 PolarHBondContact NE2-OD1 3.44Å; Q209-D213 VanDerWaalsContact O-CG 3.26Å; Q209-D213 PolarHBondContact O-N 2.81Å; L211-D213 VanDerWaalsContact C-N 3.33Å
214	Q	98.8	Very high	98.2	Very high	19 Å²	19	34.5 Å²	34.5	9%	0.089	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-1.8	-179.9	-68.9	172.6	43.4	0	0	114.3	M187 H189 A193 P194 Y195 A210 L211 L212	M187-Q214 PolarHBondContact O-NE2 3.05Å; H189-Q214 VanDerWaalsContact C-OE1 3.32Å; H189-Q214 PolarHBondContact O-OE1 3.24Å; A193-Q214 HydrophobicContact CB-CB 3.92Å; A193-Q214 HydrophobicContact CB-CG 3.73Å; P194-Q214 CarbonylContact C-O 3.58Å; P194-Q214 WeakPolarHBondContact CA-O 3.12Å; P194-Q214 WeakPolarHBondContact CB-O 3.35Å; Y195-Q214 HydrophobicContact CD2-CB 4.03Å; Y195-Q214 HydrophobicContact CE2-CB 4.22Å; Y195-Q214 PolarHBondContact N-O 2.9Å; A210-Q214 WeakPolarHBondContact O-CB 3.21Å; A210-Q214 WeakPolarHBondContact O-CG 3.37Å; A210-Q214 PolarHBondContact O-N 3.35Å; A210-Q214 PolarHBondContact O-NE2 3Å; L211-Q214 PolarHBondContact O-N 2.89Å; L212-Q214 VanDerWaalsContact C-N 3.28Å; L212-Q214 PolarHBondContact O-N 3.29Å
215	L	98.8	Very high	98.3	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.026	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	140.2	169.8	-74.3	174.2	0	0	0	111.3	I198 L211 L212 L221 K239	I198-L215 HydrophobicContact CB-CD2 4.32Å; I198-L215 HydrophobicContact CD1-CD2 3.66Å; I198-L215 HydrophobicContact CD1-CG 3.95Å; I198-L215 HydrophobicContact CG1-CD2 3.7Å; L211-L215 PolarHBondContact O-N 3.28Å; L212-L215 HydrophobicContact CD2-CD1 4.38Å; L212-L215 PolarHBondContact O-N 3.48Å; L215-L221 HydrophobicContact CD1-CB 3.85Å; L215-L221 HydrophobicContact CD2-CB 4.36Å; L215-L221 HydrophobicContact CG-CB 4.47Å; L215-K239 HydrophobicContact CB-CB 4.04Å; L215-K239 HydrophobicContact CB-CD 3.74Å; L215-K239 HydrophobicContact CD1-CB 4.26Å; L215-K239 WeakPolarHBondContact O-CD 3.49Å
216	K	98.7	Very high	98.4	Very high	58 Å²	58	32.3 Å²	32.3	25%	0.252	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	156.9	163.5	-72.1	174.9	-179.8	175.7	0	110.8	P194 Y195 D196 G218 G219 K239	P194-K216 HydrophobicContact CB-CG 3.57Å; P194-K216 HydrophobicContact CG-CD 4.41Å; P194-K216 HydrophobicContact CG-CG 3.54Å; P194-K216 WeakPolarHBondContact O-CE 3.15Å; Y195-K216 PolarHBondContact O-N 3.1Å; D196-K216 WeakPolarHBondContact OD1-CD 3.37Å; D196-K216 IonicContact OD1-NZ 2.96Å; D196-K216 PolarHBondContact OD1-NZ 3.33Å; D196-K216 IonicContact OD2-NZ 2.73Å; D196-K216 PolarHBondContact OD2-NZ 2.87Å; K216-G218 PolarHBondContact O-N 3.14Å; K216-G219 WeakPolarHBondContact O-CA 3.35Å; K216-G219 PolarHBondContact O-N 2.86Å; K216-K239 WeakPolarHBondContact O-CB 3.34Å
217	P	98.6	Very high	98.3	Very high	73 Å²	73	30.9 Å²	30.9	47%	0.474	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.6	134.3	156.9	-22.9	34.3	0	0	0	110.7	G219	P217-G219 PolarHBondContact O-N 3.35Å
218	G	98.5	Very high	97.9	Very high	42 Å²	42	32.9 Å²	32.9	43%	0.433	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	78.5	-6.6	-172.1	0	0	0	0	0	114.9	K216 K239	K216-G218 PolarHBondContact O-N 3.14Å; G218-K239 WeakPolarHBondContact CA-O 3.48Å; G218-K239 PolarHBondContact N-O 3.05Å
219	G	98.8	Very high	97.4	Very high	1 Å²	1	36 Å²	36	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	157.9	-178	0	0	0	0	0	113.7	D196 K216 P217 K239	D196-G219 CarbonylContact O-C 3.59Å; D196-G219 WeakPolarHBondContact O-CA 3.49Å; K216-G219 WeakPolarHBondContact O-CA 3.35Å; K216-G219 PolarHBondContact O-N 2.86Å; P217-G219 PolarHBondContact O-N 3.35Å; G219-K239 PolarHBondContact O-N 3.09Å
220	R	98.9	Very high	97.1	Very high	39 Å²	39	32.2 Å²	32.2	15%	0.147	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	135.7	-178.3	-177.7	172.4	-70.2	165.6	3.9	112.4	L113 L114 Q117 D196 A197 I198 I222 Q236 Y237 D238	L113-R220 VanDerWaalsContact O-CD 3.32Å; L113-R220 WeakPolarHBondContact O-CD 3.48Å; L113-R220 PolarHBondContact O-NH1 3.29Å; L114-R220 HydrophobicContact CD2-CB 3.92Å; L114-R220 HydrophobicContact CD2-CG 3.79Å; Q117-R220 HydrophobicContact CG-CB 3.62Å; D196-R220 PolarHBondContact O-N 3.47Å; A197-R220 CarbonylContact C-O 3.59Å; A197-R220 WeakPolarHBondContact CA-O 3.25Å; I198-R220 PolarHBondContact N-O 3.37Å; R220-I222 HydrophobicContact CG-CD1 4.19Å; R220-I222 HydrophobicContact CG-CG1 4.31Å; R220-Q236 HydrophobicContact CG-CG 3.87Å; R220-Y237 CarbonylContact C-O 3.6Å; R220-Y237 WeakPolarHBondContact CA-O 3.34Å; R220-D238 IonicContact CZ-OD1 2.64Å; R220-D238 VanDerWaalsContact CZ-OD1 3.25Å; R220-D238 IonicContact NE-OD1 3.21Å; R220-D238 PolarHBondContact NE-OD1 2.97Å; R220-D238 IonicContact NH2-OD1 3.3Å; R220-D238 PolarHBondContact NH2-OD1 3.19Å
221	L	98.9	Very high	97	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	132.4	167.2	164.7	70.3	0	0	0	109.8	I198 V200 V207 L211 L212 L215 L223 Q236 Y237	I198-L221 HydrophobicContact CB-CB 4.33Å; I198-L221 HydrophobicContact CB-CD1 3.74Å; I198-L221 HydrophobicContact CG2-CD1 3.5Å; I198-L221 VanDerWaalsContact CG2-CD1 3.5Å; I198-L221 CarbonylContact O-C 3.6Å; I198-L221 VanDerWaalsContact O-CA 3.29Å; I198-L221 WeakPolarHBondContact O-CA 3.49Å; V200-L221 HydrophobicContact CG2-CD1 3.84Å; V207-L221 HydrophobicContact CG1-CD2 4.25Å; L211-L221 HydrophobicContact CB-CD2 4.24Å; L211-L221 HydrophobicContact CD1-CD1 4.41Å; L212-L221 HydrophobicContact CD2-CD2 3.63Å; L212-L221 HydrophobicContact CG-CD2 4.37Å; L215-L221 HydrophobicContact CD1-CB 3.85Å; L215-L221 HydrophobicContact CD2-CB 4.36Å; L215-L221 HydrophobicContact CG-CB 4.47Å; L221-L223 HydrophobicContact CD1-CB 4.41Å; L221-L223 HydrophobicContact CD2-CD2 3.92Å; L221-L223 HydrophobicContact CG-CD2 3.95Å; L221-Q236 WeakPolarHBondContact O-CA 3.39Å; L221-Y237 HydrophobicContact CD2-CD2 4.47Å; L221-Y237 PolarHBondContact N-O 3.28Å; L221-Y237 PolarHBondContact O-N 3.35Å
222	I	98.9	Very high	96.9	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	122.5	169.1	-61.8	-62.1	0	0	0	108.7	L113 L114 I198 H199 V200 R220 L234 Q236 L250	L113-I222 HydrophobicContact CB-CD1 4.03Å; L113-I222 HydrophobicContact CB-CG1 4.12Å; L113-I222 HydrophobicContact CD1-CD1 4.33Å; L113-I222 HydrophobicContact CD1-CG2 4.32Å; L114-I222 HydrophobicContact CD1-CG1 4.34Å; L114-I222 HydrophobicContact CD2-CG1 3.77Å; L114-I222 HydrophobicContact CG-CG1 3.84Å; I198-I222 PolarHBondContact O-N 2.76Å; H199-I222 CarbonylContact C-O 3.48Å; H199-I222 WeakPolarHBondContact CA-O 3.45Å; V200-I222 PolarHBondContact N-O 3.46Å; R220-I222 HydrophobicContact CG-CD1 4.19Å; R220-I222 HydrophobicContact CG-CG1 4.31Å; I222-L234 HydrophobicContact CG2-CD1 3.87Å; I222-L234 HydrophobicContact CG2-CD2 4.29Å; I222-L234 HydrophobicContact CG2-CG 4.16Å; I222-Q236 HydrophobicContact CD1-CB 3.6Å; I222-Q236 HydrophobicContact CD1-CG 3.73Å; I222-L250 HydrophobicContact CD1-CD1 4.08Å
223	L	98.8	Very high	96.9	Very high	0 Å²	0	42 Å²	42	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	151.1	176.3	80.1	170.8	0	0	0	113	V200 A204 V207 L221 V225 E235 Y237	V200-L223 HydrophobicContact CB-CB 3.62Å; V200-L223 HydrophobicContact CG1-CB 4.46Å; V200-L223 HydrophobicContact CG2-CB 3.67Å; V200-L223 HydrophobicContact CG2-CD1 4.48Å; A204-L223 HydrophobicContact CB-CD1 4.34Å; V207-L223 HydrophobicContact CB-CD1 4.4Å; V207-L223 HydrophobicContact CG1-CD1 4.05Å; V207-L223 HydrophobicContact CG1-CD2 4.47Å; V207-L223 HydrophobicContact CG2-CD1 4.16Å; V207-L223 HydrophobicContact CG2-CD2 4.41Å; L221-L223 HydrophobicContact CD1-CB 4.41Å; L221-L223 HydrophobicContact CD2-CD2 3.92Å; L221-L223 HydrophobicContact CG-CD2 3.95Å; L223-V225 HydrophobicContact CD1-CG2 4.15Å; L223-V225 HydrophobicContact CD2-CG2 4.13Å; L223-V225 HydrophobicContact CG-CG2 3.81Å; L223-E235 HydrophobicContact CD2-CB 4.43Å; L223-E235 PolarHBondContact N-O 3.23Å; L223-E235 VanDerWaalsContact N-O 3.15Å; L223-E235 PolarHBondContact O-N 2.86Å; L223-Y237 HydrophobicContact CD2-CD2 3.74Å; L223-Y237 HydrophobicContact CD2-CE2 3.81Å
224	P	98.3	Very high	96.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	136.7	164.2	9.9	3.7	0	0	0	110.7	V200 A202 A203 A204 M233 V253 Y255	V200-P224 WeakPolarHBondContact O-CD 3.38Å; A202-P224 WeakPolarHBondContact O-CD 3.27Å; A203-P224 WeakPolarHBondContact CA-O 3.4Å; A203-P224 HydrophobicContact CB-CB 3.9Å; A203-P224 HydrophobicContact CB-CG 4.29Å; A204-P224 PolarHBondContact N-O 2.74Å; P224-M233 CarbonylContact C-O 3.59Å; P224-M233 WeakPolarHBondContact CA-O 3.23Å; P224-V253 HydrophobicContact CB-CG2 3.92Å; P224-Y255 HydrophobicContact CB-CD2 3.89Å; P224-Y255 HydrophobicContact CB-CE2 4.39Å; P224-Y255 HydrophobicContact CB-CG 4.07Å; P224-Y255 HydrophobicContact CG-CD1 3.66Å; P224-Y255 HydrophobicContact CG-CD2 3.59Å; P224-Y255 HydrophobicContact CG-CE1 4.01Å; P224-Y255 HydrophobicContact CG-CE2 3.95Å; P224-Y255 HydrophobicContact CG-CG 3.42Å; P224-Y255 VanDerWaalsContact CG-CG 3.42Å
225	V	98.4	Very high	96.9	Very high	24 Å²	24	37.9 Å²	37.9	15%	0.145	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	128.8	176.4	-173.5	0	0	0	0	109.5	A204 V207 L223 Q232 M233 E235	A204-V225 WeakPolarHBondContact O-CA 3.47Å; V207-V225 HydrophobicContact CG2-CG1 4.44Å; V207-V225 HydrophobicContact CG2-CG2 3.65Å; L223-V225 HydrophobicContact CD1-CG2 4.15Å; L223-V225 HydrophobicContact CD2-CG2 4.13Å; L223-V225 HydrophobicContact CG-CG2 3.81Å; V225-Q232 CarbonylContact O-C 3.46Å; V225-Q232 WeakPolarHBondContact O-CA 3.43Å; V225-M233 PolarHBondContact N-O 3.39Å; V225-M233 PolarHBondContact O-N 3.47Å; V225-E235 HydrophobicContact CB-CG 4.43Å; V225-E235 HydrophobicContact CG2-CB 4.31Å; V225-E235 HydrophobicContact CG2-CG 4.12Å
226	G	97.1	Very high	96.9	Very high	11 Å²	11	37.7 Å²	37.7	11%	0.113	25%	0.253	C	S	.	.	S	Bend	trans	156.6	166.4	178.2	0	0	0	0	0	113	A204	A204-G226 PolarHBondContact O-N 2.94Å
227	P	93.6	Very high	96.9	Very high	80 Å²	80	36.5 Å²	36.5	52%	0.519	25%	0.247	S	C	.	.			trans	-66.9	151.7	179	28.9	-35	0	0	0	112	G229 G230	P227-G229 PolarHBondContact O-N 3.39Å; P227-G230 PolarHBondContact O-N 2.98Å; P227-G230 VanDerWaalsContact O-N 3.14Å
228	A	90.3	Very high	96.9	Very high	73 Å²	73	34.6 Å²	34.6	60%	0.603	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	127.7	171.4	0	0	0	0	0	110.5	G230 P257	A228-G230 PolarHBondContact O-N 2.96Å; A228-P257 HydrophobicContact CB-CB 3.95Å; A228-P257 HydrophobicContact CB-CG 3.65Å
229	G	87.5	Confident	96.9	Very high	85 Å²	85	34.1 Å²	34.1	88%	0.876	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	72	3	-179.7	0	0	0	0	0	115.8	P227	P227-G229 PolarHBondContact O-N 3.39Å
230	G	92.2	Very high	96.9	Very high	33 Å²	33	37.2 Å²	37.2	34%	0.34	23%	0.234	S	C	.	.	S	Bend	trans	-108.1	-167.6	176.7	0	0	0	0	0	113.7	P227 A228 Q232	P227-G230 PolarHBondContact O-N 2.98Å; P227-G230 VanDerWaalsContact O-N 3.14Å; A228-G230 PolarHBondContact O-N 2.96Å; G230-Q232 PolarHBondContact O-N 3.08Å
231	N	95.1	Very high	96.8	Very high	159 Å²	159	42.6 Å²	42.6	85%	0.85	26%	0.261	S	S	*	.			trans	-67.3	129.5	175.3	-66.9	-31.2	0	0	0	110.2
232	Q	97.8	Very high	96.7	Very high	12 Å²	12	48.7 Å²	48.7	6%	0.056	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	147.2	178.4	-56.6	162	-0.4	0	0	109.8	A203 V225 G230 G252 V253 Y255	A203-Q232 HydrophobicContact CB-CG 4.03Å; V225-Q232 CarbonylContact O-C 3.46Å; V225-Q232 WeakPolarHBondContact O-CA 3.43Å; G230-Q232 PolarHBondContact O-N 3.08Å; Q232-G252 WeakPolarHBondContact O-CA 3.3Å; Q232-V253 HydrophobicContact CB-CG2 4.21Å; Q232-V253 WeakPolarHBondContact CB-O 3.29Å; Q232-V253 PolarHBondContact O-N 3.35Å; Q232-Y255 PolarHBondContact NE2-O 2.76Å; Q232-Y255 VanDerWaalsContact NE2-O 3.13Å; Q232-Y255 PolarHBondContact OE1-O 3.41Å
233	M	98.1	Very high	96.5	Very high	68 Å²	68	50.5 Å²	50.5	34%	0.335	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	129.2	176.2	-176.1	59.6	59.5	0	0	108.8	P224 V225 E235 P249	P224-M233 CarbonylContact C-O 3.59Å; P224-M233 WeakPolarHBondContact CA-O 3.23Å; V225-M233 PolarHBondContact N-O 3.39Å; V225-M233 PolarHBondContact O-N 3.47Å; M233-E235 HydrophobicContact CB-CG 4.25Å; M233-E235 HydrophobicContact CG-CG 3.85Å; M233-E235 PolarHBondContact O-N 3.5Å; M233-P249 HydrophobicContact CG-CB 3.8Å; M233-P249 HydrophobicContact SD-CB 3.93Å
234	L	98.6	Very high	96.5	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.01	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	122.8	165.7	-167.9	73.4	0	0	0	107.6	L113 I222 L250 M251 V253 Y255	L113-L234 HydrophobicContact CD1-CD2 3.81Å; I222-L234 HydrophobicContact CG2-CD1 3.87Å; I222-L234 HydrophobicContact CG2-CD2 4.29Å; I222-L234 HydrophobicContact CG2-CG 4.16Å; L234-L250 HydrophobicContact CB-CB 4.42Å; L234-L250 HydrophobicContact CD2-CD1 3.94Å; L234-L250 HydrophobicContact CG-CD1 4.13Å; L234-L250 VanDerWaalsContact O-CB 3.29Å; L234-L250 WeakPolarHBondContact O-CB 3.46Å; L234-L250 PolarHBondContact O-N 2.92Å; L234-M251 HydrophobicContact CB-CG 4.24Å; L234-M251 HydrophobicContact CD2-CE 3.65Å; L234-M251 HydrophobicContact CD2-CG 4.44Å; L234-M251 PolarHBondContact N-O 2.86Å; L234-V253 HydrophobicContact CB-CG1 3.77Å; L234-V253 HydrophobicContact CB-CG2 3.98Å; L234-Y255 HydrophobicContact CD1-CE2 4.47Å
235	E	98.8	Very high	96.4	Very high	29 Å²	29	56 Å²	56	14%	0.136	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	148.8	-177	-63.5	-175.5	-176.1	0	0	110.4	L223 V225 M233 Y237	L223-E235 HydrophobicContact CD2-CB 4.43Å; L223-E235 PolarHBondContact N-O 3.23Å; L223-E235 VanDerWaalsContact N-O 3.15Å; L223-E235 PolarHBondContact O-N 2.86Å; V225-E235 HydrophobicContact CB-CG 4.43Å; V225-E235 HydrophobicContact CG2-CB 4.31Å; V225-E235 HydrophobicContact CG2-CG 4.12Å; M233-E235 HydrophobicContact CB-CG 4.25Å; M233-E235 HydrophobicContact CG-CG 3.85Å; M233-E235 PolarHBondContact O-N 3.5Å; E235-Y237 HydrophobicContact CB-CD2 4.35Å; E235-Y237 HydrophobicContact CB-CE2 3.86Å; E235-Y237 WeakPolarHBondContact OE2-CE2 3.23Å; E235-Y237 PolarHBondContact OE2-OH 3.49Å; E235-Y237 VanDerWaalsContact OE2-OH 3.1Å
236	Q	98.8	Very high	96.4	Very high	2 Å²	2	61.3 Å²	61.3	1%	0.009	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	132.6	173.2	174.4	178.6	-45.3	0	0	109.4	R220 L221 I222 D238 M247 K248 L250	R220-Q236 HydrophobicContact CG-CG 3.87Å; L221-Q236 WeakPolarHBondContact O-CA 3.39Å; I222-Q236 HydrophobicContact CD1-CB 3.6Å; I222-Q236 HydrophobicContact CD1-CG 3.73Å; Q236-D238 VanDerWaalsContact NE2-CG 3.34Å; Q236-D238 PolarHBondContact NE2-OD1 3.02Å; Q236-D238 PolarHBondContact NE2-OD2 3.44Å; Q236-M247 CarbonylContact O-C 3.59Å; Q236-M247 VanDerWaalsContact O-CA 3.3Å; Q236-M247 WeakPolarHBondContact O-CA 3.3Å; Q236-K248 HydrophobicContact CB-CD 4.49Å; Q236-K248 HydrophobicContact CB-CG 3.83Å; Q236-K248 HydrophobicContact CG-CG 4.36Å; Q236-K248 PolarHBondContact N-O 3.39Å; Q236-K248 VanDerWaalsContact NE2-CE 3.25Å; Q236-K248 PolarHBondContact O-N 2.81Å; Q236-L250 HydrophobicContact CB-CD1 4.06Å; Q236-L250 HydrophobicContact CB-CD2 4.24Å; Q236-L250 HydrophobicContact CB-CG 4.19Å
237	Y	98.9	Very high	96.5	Very high	32 Å²	32	65.4 Å²	65.4	13%	0.125	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	119.2	173	-73.3	-103.4	0	0	0	109.1	V207 L212 R220 L221 L223 E235 T245 K246 M247	V207-Y237 HydrophobicContact CG1-CE2 4.31Å; V207-Y237 HydrophobicContact CG2-CE2 3.81Å; V207-Y237 VanDerWaalsContact CG2-OH 3.24Å; V207-Y237 WeakPolarHBondContact CG2-OH 3.44Å; L212-Y237 HydrophobicContact CD1-CD1 4.4Å; L212-Y237 HydrophobicContact CD2-CD1 3.74Å; L212-Y237 HydrophobicContact CD2-CG 3.87Å; R220-Y237 CarbonylContact C-O 3.6Å; R220-Y237 WeakPolarHBondContact CA-O 3.34Å; L221-Y237 HydrophobicContact CD2-CD2 4.47Å; L221-Y237 PolarHBondContact N-O 3.28Å; L221-Y237 PolarHBondContact O-N 3.35Å; L223-Y237 HydrophobicContact CD2-CD2 3.74Å; L223-Y237 HydrophobicContact CD2-CE2 3.81Å; E235-Y237 HydrophobicContact CB-CD2 4.35Å; E235-Y237 HydrophobicContact CB-CE2 3.86Å; E235-Y237 WeakPolarHBondContact OE2-CE2 3.23Å; E235-Y237 PolarHBondContact OE2-OH 3.49Å; E235-Y237 VanDerWaalsContact OE2-OH 3.1Å; Y237-T245 HydrophobicContact CD1-CG2 3.69Å; Y237-T245 HydrophobicContact CG-CG2 4.39Å; Y237-K246 CarbonylContact C-O 3.57Å; Y237-K246 WeakPolarHBondContact CA-O 3.45Å; Y237-M247 HydrophobicContact CD1-CB 3.88Å; Y237-M247 HydrophobicContact CD1-CG 4.17Å; Y237-M247 HydrophobicContact CD2-CG 4.16Å; Y237-M247 HydrophobicContact CE1-CB 3.59Å; Y237-M247 HydrophobicContact CE1-CG 3.66Å; Y237-M247 HydrophobicContact CE2-CB 4.38Å; Y237-M247 HydrophobicContact CE2-CG 3.61Å; Y237-M247 HydrophobicContact CG-CB 4.41Å; Y237-M247 HydrophobicContact CG-CG 4.4Å
238	D	98.9	Very high	96.7	Very high	33 Å²	33	65.7 Å²	65.7	18%	0.176	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	130.9	174.2	-61	-76	0	0	0	109.5	R220 Q236 T245 K246	R220-D238 IonicContact CZ-OD1 2.64Å; R220-D238 VanDerWaalsContact CZ-OD1 3.25Å; R220-D238 IonicContact NE-OD1 3.21Å; R220-D238 PolarHBondContact NE-OD1 2.97Å; R220-D238 IonicContact NH2-OD1 3.3Å; R220-D238 PolarHBondContact NH2-OD1 3.19Å; Q236-D238 VanDerWaalsContact NE2-CG 3.34Å; Q236-D238 PolarHBondContact NE2-OD1 3.02Å; Q236-D238 PolarHBondContact NE2-OD2 3.44Å; D238-T245 CarbonylContact O-C 3.56Å; D238-T245 WeakPolarHBondContact O-CA 3.42Å; D238-K246 PolarHBondContact N-O 3.48Å; D238-K246 PolarHBondContact O-N 3.37Å
239	K	98.8	Very high	97.1	Very high	32 Å²	32	66.2 Å²	66.2	14%	0.139	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	117.3	171.5	-165.1	157.5	-163.7	167.2	0	109.5	L212 L215 K216 G218 G219	L212-K239 PolarHBondContact O-NZ 3.38Å; L215-K239 HydrophobicContact CB-CB 4.04Å; L215-K239 HydrophobicContact CB-CD 3.74Å; L215-K239 HydrophobicContact CD1-CB 4.26Å; L215-K239 WeakPolarHBondContact O-CD 3.49Å; K216-K239 WeakPolarHBondContact O-CB 3.34Å; G218-K239 WeakPolarHBondContact CA-O 3.48Å; G218-K239 PolarHBondContact N-O 3.05Å; G219-K239 PolarHBondContact O-N 3.09Å
240	M	98.3	Very high	97.6	Very high	67 Å²	67	64.8 Å²	64.8	33%	0.33	35%	0.35	S	S	.	.			trans	-74.8	161.9	-178.7	-53.6	-56.9	-58.4	0	0	110.5	D242 G243 S244 K246	M240-D242 VanDerWaalsContact CB-OD1 3.3Å; M240-D242 WeakPolarHBondContact CB-OD1 3.33Å; M240-D242 PolarHBondContact O-N 3.06Å; M240-G243 PolarHBondContact O-N 3.42Å; M240-S244 WeakPolarHBondContact CB-O 3.09Å; M240-S244 WeakPolarHBondContact CB-OG 3.36Å; M240-S244 WeakPolarHBondContact CG-OG 3.39Å; M240-S244 PolarHBondContact N-O 3.22Å; M240-K246 HydrophobicContact CG-CG 4.48Å; M240-K246 HydrophobicContact SD-CB 4.4Å; M240-K246 HydrophobicContact SD-CD 3.96Å; M240-K246 HydrophobicContact SD-CG 4.27Å
241	E	97.2	Very high	97.8	Very high	151 Å²	151	66.1 Å²	66.1	71%	0.706	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-29	177.7	-64.9	-58.3	149.3	0	0	113.4	G243	E241-G243 PolarHBondContact O-N 3.47Å
242	D	96.6	Very high	97.9	Very high	128 Å²	128	61.4 Å²	61.4	68%	0.684	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	2.8	175.9	67.5	6.3	0	0	0	113.8	M240 S244	M240-D242 VanDerWaalsContact CB-OD1 3.3Å; M240-D242 WeakPolarHBondContact CB-OD1 3.33Å; M240-D242 PolarHBondContact O-N 3.06Å; D242-S244 VanDerWaalsContact C-N 3.29Å; D242-S244 PolarHBondContact O-N 2.96Å; D242-S244 WeakPolarHBondContact OD1-CB 3.38Å; D242-S244 PolarHBondContact OD1-N 2.91Å; D242-S244 PolarHBondContact OD1-OG 3.46Å
243	G	95.1	Very high	97.8	Very high	40 Å²	40	61.6 Å²	61.6	41%	0.412	34%	0.339	S	S	.	.	S	Bend	trans	84	-8.2	-178.4	0	0	0	0	0	114.8	M240 E241	M240-G243 PolarHBondContact O-N 3.42Å; E241-G243 PolarHBondContact O-N 3.47Å
244	S	97.4	Very high	97.6	Very high	55 Å²	55	66 Å²	66	39%	0.385	36%	0.362	S	S	.	.			trans	-68.2	159.6	173.7	71.4	0	0	0	0	111.4	M240 D242	M240-S244 WeakPolarHBondContact CB-O 3.09Å; M240-S244 WeakPolarHBondContact CB-OG 3.36Å; M240-S244 WeakPolarHBondContact CG-OG 3.39Å; M240-S244 PolarHBondContact N-O 3.22Å; D242-S244 VanDerWaalsContact C-N 3.29Å; D242-S244 PolarHBondContact O-N 2.96Å; D242-S244 WeakPolarHBondContact OD1-CB 3.38Å; D242-S244 PolarHBondContact OD1-N 2.91Å; D242-S244 PolarHBondContact OD1-OG 3.46Å
245	T	97.9	Very high	97.5	Very high	61 Å²	61	67 Å²	67	37%	0.374	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	131.6	178.9	-56.2	0	0	0	0	110.3	L212 Y237 D238	L212-T245 HydrophobicContact CD2-CG2 4.13Å; Y237-T245 HydrophobicContact CD1-CG2 3.69Å; Y237-T245 HydrophobicContact CG-CG2 4.39Å; D238-T245 CarbonylContact O-C 3.56Å; D238-T245 WeakPolarHBondContact O-CA 3.42Å
246	K	98.4	Very high	97.3	Very high	134 Å²	134	67.8 Å²	67.8	58%	0.583	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107	130	171.7	-86	-177	176	173	0	110.4	Y237 D238 M240	Y237-K246 CarbonylContact C-O 3.57Å; Y237-K246 WeakPolarHBondContact CA-O 3.45Å; D238-K246 PolarHBondContact N-O 3.48Å; D238-K246 PolarHBondContact O-N 3.37Å; M240-K246 HydrophobicContact CG-CG 4.48Å; M240-K246 HydrophobicContact SD-CB 4.4Å; M240-K246 HydrophobicContact SD-CD 3.96Å; M240-K246 HydrophobicContact SD-CG 4.27Å
247	M	98.2	Very high	97.1	Very high	97 Å²	97	70 Å²	70	48%	0.478	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	141.7	174.1	-177.4	-84.2	-78.9	0	0	110.5	Q236 Y237	Q236-M247 CarbonylContact O-C 3.59Å; Q236-M247 VanDerWaalsContact O-CA 3.3Å; Q236-M247 WeakPolarHBondContact O-CA 3.3Å; Y237-M247 HydrophobicContact CD1-CB 3.88Å; Y237-M247 HydrophobicContact CD1-CG 4.17Å; Y237-M247 HydrophobicContact CD2-CG 4.16Å; Y237-M247 HydrophobicContact CE1-CB 3.59Å; Y237-M247 HydrophobicContact CE1-CG 3.66Å; Y237-M247 HydrophobicContact CE2-CB 4.38Å; Y237-M247 HydrophobicContact CE2-CG 3.61Å; Y237-M247 HydrophobicContact CG-CB 4.41Å; Y237-M247 HydrophobicContact CG-CG 4.4Å
248	K	97.9	Very high	97	Very high	87 Å²	87	69.9 Å²	69.9	38%	0.378	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	135.8	162.6	68.9	-176.8	-160.7	-155.4	0	111	Q236 L250	Q236-K248 HydrophobicContact CB-CD 4.49Å; Q236-K248 HydrophobicContact CB-CG 3.83Å; Q236-K248 HydrophobicContact CG-CG 4.36Å; Q236-K248 PolarHBondContact N-O 3.39Å; Q236-K248 VanDerWaalsContact NE2-CE 3.25Å; Q236-K248 PolarHBondContact O-N 2.81Å; K248-L250 HydrophobicContact CD-CD2 4.34Å; K248-L250 HydrophobicContact CG-CD2 4.24Å
249	P	98.1	Very high	96.9	Very high	83 Å²	83	69.7 Å²	69.7	54%	0.539	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	146.7	167.7	31.7	-33.9	0	0	0	109.7	M233	M233-P249 HydrophobicContact CG-CB 3.8Å; M233-P249 HydrophobicContact SD-CB 3.93Å
250	L	97.9	Very high	96.8	Very high	56 Å²	56	70.8 Å²	70.8	29%	0.293	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	-62.1	-179.4	-61	176.4	0	0	0	111.7	L113 I222 L234 Q236 K248	L113-L250 HydrophobicContact CD1-CD1 3.59Å; L113-L250 HydrophobicContact CD2-CD1 3.75Å; L113-L250 HydrophobicContact CD2-CD2 4.33Å; L113-L250 HydrophobicContact CG-CD1 4.3Å; I222-L250 HydrophobicContact CD1-CD1 4.08Å; L234-L250 HydrophobicContact CB-CB 4.42Å; L234-L250 HydrophobicContact CD2-CD1 3.94Å; L234-L250 HydrophobicContact CG-CD1 4.13Å; L234-L250 VanDerWaalsContact O-CB 3.29Å; L234-L250 WeakPolarHBondContact O-CB 3.46Å; L234-L250 PolarHBondContact O-N 2.92Å; Q236-L250 HydrophobicContact CB-CD1 4.06Å; Q236-L250 HydrophobicContact CB-CD2 4.24Å; Q236-L250 HydrophobicContact CB-CG 4.19Å; K248-L250 HydrophobicContact CD-CD2 4.34Å; K248-L250 HydrophobicContact CG-CD2 4.24Å
251	M	96.6	Very high	96.7	Very high	60 Å²	60	73.6 Å²	73.6	30%	0.296	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	155.9	-174.5	59.7	-175.4	-178.3	0	0	111.9	M106 Y109 L234 V253	M106-M251 HydrophobicContact CE-CE 4.24Å; Y109-M251 HydrophobicContact CD2-CE 3.69Å; Y109-M251 HydrophobicContact CE2-CE 4.12Å; Y109-M251 HydrophobicContact CG-CE 3.96Å; L234-M251 HydrophobicContact CB-CG 4.24Å; L234-M251 HydrophobicContact CD2-CE 3.65Å; L234-M251 HydrophobicContact CD2-CG 4.44Å; L234-M251 PolarHBondContact N-O 2.86Å; M251-V253 HydrophobicContact CE-CG1 4.1Å; M251-V253 HydrophobicContact CG-CG1 4.04Å
252	G	96.9	Very high	96.5	Very high	60 Å²	60	70.8 Å²	70.8	62%	0.619	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	138.2	170.8	0	0	0	0	0	111.4	Q232	Q232-G252 WeakPolarHBondContact O-CA 3.3Å
253	V	96.5	Very high	96.5	Very high	17 Å²	17	71.6 Å²	71.6	10%	0.103	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	170.2	-177.2	-67.1	0	0	0	0	111.6	M106 P224 Q232 L234 M251 Y255	M106-V253 HydrophobicContact CE-CG1 4.06Å; P224-V253 HydrophobicContact CB-CG2 3.92Å; Q232-V253 HydrophobicContact CB-CG2 4.21Å; Q232-V253 WeakPolarHBondContact CB-O 3.29Å; Q232-V253 PolarHBondContact O-N 3.35Å; L234-V253 HydrophobicContact CB-CG1 3.77Å; L234-V253 HydrophobicContact CB-CG2 3.98Å; M251-V253 HydrophobicContact CE-CG1 4.1Å; M251-V253 HydrophobicContact CG-CG1 4.04Å; V253-Y255 HydrophobicContact CB-CD2 3.87Å; V253-Y255 HydrophobicContact CB-CE2 3.83Å; V253-Y255 HydrophobicContact CG1-CE2 4.22Å; V253-Y255 HydrophobicContact CG2-CD2 3.74Å; V253-Y255 HydrophobicContact CG2-CE2 3.89Å
254	I	94.7	Very high	96.5	Very high	160 Å²	160	71 Å²	71	82%	0.821	38%	0.376	S	S	*	.			trans	-134	115.4	172.4	-58.7	176.3	0	0	0	108.1
255	Y	94.8	Very high	96.3	Very high	22 Å²	22	71.5 Å²	71.5	9%	0.086	37%	0.37	C	S	.	.			trans	-128	156.9	179.5	-83.4	-107.5	0	0	0	110.4	M106 G201 P224 Q232 L234 V253	M106-Y255 HydrophobicContact CE-CE2 3.52Å; M106-Y255 WeakPolarHBondContact CE-OH 3.37Å; G201-Y255 WeakPolarHBondContact O-CD1 3.32Å; P224-Y255 HydrophobicContact CB-CD2 3.89Å; P224-Y255 HydrophobicContact CB-CE2 4.39Å; P224-Y255 HydrophobicContact CB-CG 4.07Å; P224-Y255 HydrophobicContact CG-CD1 3.66Å; P224-Y255 HydrophobicContact CG-CD2 3.59Å; P224-Y255 HydrophobicContact CG-CE1 4.01Å; P224-Y255 HydrophobicContact CG-CE2 3.95Å; P224-Y255 HydrophobicContact CG-CG 3.42Å; P224-Y255 VanDerWaalsContact CG-CG 3.42Å; Q232-Y255 PolarHBondContact NE2-O 2.76Å; Q232-Y255 VanDerWaalsContact NE2-O 3.13Å; Q232-Y255 PolarHBondContact OE1-O 3.41Å; L234-Y255 HydrophobicContact CD1-CE2 4.47Å; V253-Y255 HydrophobicContact CB-CD2 3.87Å; V253-Y255 HydrophobicContact CB-CE2 3.83Å; V253-Y255 HydrophobicContact CG1-CE2 4.22Å; V253-Y255 HydrophobicContact CG2-CD2 3.74Å; V253-Y255 HydrophobicContact CG2-CE2 3.89Å
256	V	94.5	Very high	95.7	Very high	46 Å²	46	70.1 Å²	70.1	28%	0.279	36%	0.363	S	S	.	.			trans	-61.9	149.6	167.1	-62.3	0	0	0	0	110.2	A202 A203	A202-V256 CarbonylContact C-O 3.43Å; A202-V256 VanDerWaalsContact CA-O 3.23Å; A202-V256 WeakPolarHBondContact CA-O 3.13Å; A202-V256 HydrophobicContact CB-CG2 4.14Å; A202-V256 WeakPolarHBondContact CB-O 3.38Å; A203-V256 PolarHBondContact N-O 2.85Å
257	P	96.1	Very high	94.2	Very high	50 Å²	50	71.8 Å²	71.8	33%	0.325	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-69.4	137.2	-177.9	-19.6	33.4	0	0	0	113.3	A228 T259	A228-P257 HydrophobicContact CB-CB 3.95Å; A228-P257 HydrophobicContact CB-CG 3.65Å; P257-T259 HydrophobicContact CB-CG2 4.31Å; P257-T259 PolarHBondContact O-N 2.9Å
258	L	96.8	Very high	92.2	Very high	28 Å²	28	74.8 Å²	74.8	15%	0.147	38%	0.384	C	S	.	.			trans	-80.5	100.1	162.3	-175.7	69.7	0	0	0	107.7	V127 R186 V200 A202 A203 A204 P208	V127-L258 HydrophobicContact CG1-CD1 4.2Å; R186-L258 HydrophobicContact CG-CD1 4.33Å; R186-L258 HydrophobicContact CG-CD2 3.71Å; R186-L258 HydrophobicContact CG-CG 3.84Å; V200-L258 HydrophobicContact CG1-CD1 4.48Å; V200-L258 HydrophobicContact CG1-CD2 4.02Å; A202-L258 HydrophobicContact CB-CB 3.78Å; A202-L258 HydrophobicContact CB-CD1 4.16Å; A203-L258 WeakPolarHBondContact O-CB 3.45Å; A203-L258 PolarHBondContact O-N 2.84Å; A204-L258 HydrophobicContact CB-CB 4.35Å; A204-L258 HydrophobicContact CB-CD2 3.81Å; P208-L258 HydrophobicContact CG-CD2 4.18Å
259	T	96.3	Very high	89.8	Confident	29 Å²	29	78.2 Å²	78.2	18%	0.178	40%	0.401	C	S	.	.			trans	-138.3	178.7	-166.4	-171.7	0	0	0	0	111.7	H153 P257 K263 Q264	H153-T259 PolarHBondContact CE1-O 2.79Å; H153-T259 VanDerWaalsContact CE1-O 3.27Å; H153-T259 PolarHBondContact ND1-O 3.37Å; P257-T259 HydrophobicContact CB-CG2 4.31Å; P257-T259 PolarHBondContact O-N 2.9Å; T259-K263 HydrophobicContact CG2-CB 4.21Å; T259-K263 VanDerWaalsContact OG1-CD 3.31Å; T259-K263 WeakPolarHBondContact OG1-CD 3.4Å; T259-Q264 HydrophobicContact CG2-CB 4.12Å
260	D	96.3	Very high	87.1	Confident	56 Å²	56	83.5 Å²	83.5	30%	0.299	42%	0.424	S	S	.	.			trans	-63.9	141.1	170.9	-53.7	-49.1	0	0	0	110.6	R186 D262 K263 Q264	R186-D260 IonicContact CZ-OD1 3.6Å; R186-D260 VanDerWaalsContact CZ-OD1 3.29Å; R186-D260 IonicContact NH1-OD1 2.63Å; R186-D260 PolarHBondContact NH1-OD1 3.39Å; R186-D260 IonicContact NH2-OD1 3.87Å; R186-D260 PolarHBondContact NH2-OD1 3.02Å; D260-D262 VanDerWaalsContact C-N 3.26Å; D260-D262 PolarHBondContact O-N 2.92Å; D260-K263 HydrophobicContact CB-CD 4.16Å; D260-K263 HydrophobicContact CB-CG 4.31Å; D260-K263 WeakPolarHBondContact O-CB 3.47Å; D260-K263 PolarHBondContact O-N 3.27Å; D260-K263 WeakPolarHBondContact OD2-CE 3.25Å; D260-K263 IonicContact OD2-NZ 3.53Å; D260-K263 PolarHBondContact OD2-NZ 3.23Å; D260-Q264 PolarHBondContact O-N 2.89Å
261	R	95.6	Very high	86.6	Confident	125 Å²	125	84.9 Å²	84.9	47%	0.472	43%	0.43	S	S	.	.	H	α-helix	trans	-46.6	-49.6	178.9	-164.4	-156.5	80.4	-138.9	5.7	112.7	H153 I154 K263 Q264 W265	H153-R261 HydrophobicContact CB-CG 4.49Å; H153-R261 WeakPolarHBondContact ND1-CA 3.17Å; H153-R261 PolarHBondContact ND1-N 2.91Å; I154-R261 HydrophobicContact CD1-CG 3.66Å; R261-K263 PolarHBondContact O-N 3.31Å; R261-Q264 PolarHBondContact O-N 3.31Å; R261-Q264 VanDerWaalsContact O-N 3.09Å; R261-W265 PolarHBondContact O-N 2.86Å
262	D	95	Very high	86	Confident	92 Å²	92	86.2 Å²	86.2	49%	0.492	44%	0.437	S	S	.	.	H	α-helix	trans	-69.2	-20.8	-175.6	-64.1	-37.1	0	0	0	113.6	D260	D260-D262 VanDerWaalsContact C-N 3.26Å; D260-D262 PolarHBondContact O-N 2.92Å
263	K	94.6	Very high	85.4	Confident	146 Å²	146	87.6 Å²	87.6	64%	0.635	43%	0.427	S	S	*	.	H	α-helix	trans	-78	-28.2	172.8	-72.6	173.7	178.1	155.2	0	112.5	T259 D260 R261	T259-K263 HydrophobicContact CG2-CB 4.21Å; T259-K263 VanDerWaalsContact OG1-CD 3.31Å; T259-K263 WeakPolarHBondContact OG1-CD 3.4Å; D260-K263 HydrophobicContact CB-CD 4.16Å; D260-K263 HydrophobicContact CB-CG 4.31Å; D260-K263 WeakPolarHBondContact O-CB 3.47Å; D260-K263 PolarHBondContact O-N 3.27Å; D260-K263 WeakPolarHBondContact OD2-CE 3.25Å; D260-K263 IonicContact OD2-NZ 3.53Å; D260-K263 PolarHBondContact OD2-NZ 3.23Å; R261-K263 PolarHBondContact O-N 3.31Å
264	Q	95.3	Very high	84.8	Confident	27 Å²	27	91.8 Å²	91.8	13%	0.126	45%	0.446	C	S	.	.	H	α-helix	trans	-86	-42.4	176.3	-178.9	-179	-33.4	0	0	111.4	Y97 Q98 H153 T259 D260 R261	Y97-Q264 PolarHBondContact O-NE2 2.95Å; Q98-Q264 HydrophobicContact CB-CG 4.2Å; Q98-Q264 WeakPolarHBondContact CG-O 3.44Å; Q98-Q264 PolarHBondContact NE2-O 2.98Å; Q98-Q264 PolarHBondContact OE1-O 3.44Å; H153-Q264 PolarHBondContact CE1-OE1 3.31Å; H153-Q264 PolarHBondContact NE2-OE1 3.16Å; T259-Q264 HydrophobicContact CG2-CB 4.12Å; D260-Q264 PolarHBondContact O-N 2.89Å; R261-Q264 PolarHBondContact O-N 3.31Å; R261-Q264 VanDerWaalsContact O-N 3.09Å
265	W	93.4	Very high	84.2	Confident	65 Å²	65	87.5 Å²	87.5	25%	0.246	42%	0.423	C	S	.	.			trans	-152.3	96.3	-174.8	-166.8	-107.9	0	0	0	111.1	Y97 Q98 I154 R261 L270	Y97-W265 AromaticContact CD1-CD1 3.83Å; Y97-W265 HydrophobicContact CD1-CD2 4.09Å; Y97-W265 AromaticContact CD1-CE2 3.71Å; Y97-W265 HydrophobicContact CD1-CG 4.15Å; Y97-W265 HydrophobicContact CD1-CZ2 4.24Å; Y97-W265 AromaticContact CD1-NE1 3.55Å; Q98-W265 HydrophobicContact CG-CE3 4.16Å; Q98-W265 HydrophobicContact CG-CZ3 4.4Å; I154-W265 HydrophobicContact CD1-CB 3.99Å; R261-W265 PolarHBondContact O-N 2.86Å; W265-L270 HydrophobicContact CZ2-CD1 4.1Å
266	S	85.9	Confident	83.5	Confident	33 Å²	33	91.9 Å²	91.9	23%	0.231	45%	0.445	C	S	.	.			trans	-89.2	127.9	168.8	52.3	0	0	0	0	109.3	D268	S266-D268 PolarHBondContact O-N 2.8Å
267	R	66.9	Low	82.7	Confident	168 Å²	168	95.1 Å²	95.1	63%	0.634	46%	0.457	S	S	*	.	G	3₁₀ helix	trans	-71.8	-13.1	175.5	-92.9	-173.1	174.9	-164.6	-1.4	113.2	E156 E269	E156-R267 IonicContact OE1-CZ 3.29Å; E156-R267 IonicContact OE1-NE 3.81Å; E156-R267 IonicContact OE1-NH2 2.71Å; E156-R267 PolarHBondContact OE1-NH2 2.86Å; R267-E269 PolarHBondContact O-N 3.13Å
268	D	56.7	Low	81.6	Confident	161 Å²	161	98.6 Å²	98.6	86%	0.861	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-78	0.3	-176.3	-59.4	-28.1	0	0	0	113.4	S266	S266-D268 PolarHBondContact O-N 2.8Å
269	E	47.1	Very low	80.4	Confident	159 Å²	159	104.5 Å²	104.5	74%	0.743	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-104.8	12.2	178.1	-66.3	-172.5	176.2	0	0	114.3	R267	R267-E269 PolarHBondContact O-N 3.13Å
270	L	41.6	Very low	78.9	Confident	193 Å²	193	111.4 Å²	111.4	100%	1.01	52%	0.523	S	S	*	.			trans	-107.8	0	176.3	-75.2	171.9	0	0	0	113.3	W265	W265-L270 HydrophobicContact CZ2-CD1 4.1Å

Retrieved 270 of 270 residues in 116.4 ms (Link to these results)

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