HNRPR_HUMAN Loading...

Heterogeneous nuclear ribonucleoprotein R

Component of ribonucleosomes, which are complexes of at least 20 other different heterogeneous nuclear ribonucleoproteins (hnRNP). hnRNP play an important role in processing of precursor mRNA in the nucleus.

AlphaFold DB , UniProt , Accession O43390, Species HUMAN (Homo sapiens, Human), Gene HNRNPR, Length 633 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	36.1	Very low	36.2	Very low	247 Å²	247	145.5 Å²	145.5	100%	1.217	85%	0.849	S	S	*	*				0	172	0	-76.6	173.5	170.3	0	0	108.7
2	A	37.9	Very low	35.9	Very low	85 Å²	85	146.3 Å²	146.3	70%	0.702	85%	0.845	S	S	*	*			trans	-52.4	158.2	177.8	0	0	0	0	0	113.6
3	N	38.3	Very low	35.6	Very low	152 Å²	152	149.8 Å²	149.8	81%	0.813	85%	0.845	S	S	*	*			cis	-151	171.2	4.8	-127.9	-0.1	0	0	0	113
4	Q	32.3	Very low	35.5	Very low	181 Å²	181	153.1 Å²	153.1	85%	0.846	85%	0.849	S	S	*	*			trans	-69.6	146.1	169.5	-62.8	164.8	-20.1	0	0	111.8
5	V	41.1	Very low	35.5	Very low	132 Å²	132	156.2 Å²	156.2	80%	0.8	86%	0.855	S	S	*	*			trans	-149.9	116.2	152	-110.2	0	0	0	0	111.3
6	N	38.3	Very low	35.5	Very low	149 Å²	149	158.8 Å²	158.8	80%	0.797	86%	0.859	S	S	*	*			trans	33.1	99.2	151.5	-56.3	-4.6	0	0	0	118.8
7	G	30.6	Very low	35.7	Very low	81 Å²	81	160.6 Å²	160.6	84%	0.835	86%	0.861	S	S	*	*			trans	-73.3	138.1	141.4	0	0	0	0	0	109.5
8	N	37.5	Very low	35.9	Very low	153 Å²	153	158.2 Å²	158.2	82%	0.818	86%	0.855	S	S	*	*			trans	-145.6	116.5	168	-137.9	2.7	0	0	0	108.1
9	A	35	Very low	36.3	Very low	102 Å²	102	159.6 Å²	159.6	84%	0.843	86%	0.858	S	S	*	*			trans	-87.8	118.8	-174.9	0	0	0	0	0	110.5
10	V	40.4	Very low	36.4	Very low	125 Å²	125	157.1 Å²	157.1	76%	0.758	84%	0.844	S	S	*	*			trans	-129.8	105.1	168.2	-178.3	0	0	0	0	108
11	Q	30.5	Very low	37.1	Very low	194 Å²	194	156.6 Å²	156.6	91%	0.907	85%	0.847	S	S	*	*			trans	-78.9	124.9	164.9	-66.1	171.1	-36.2	0	0	108.1
12	L	32.4	Very low	37.9	Very low	154 Å²	154	149.5 Å²	149.5	81%	0.806	82%	0.822	S	S	*	*			trans	-164.1	139.6	160.9	-106.8	179.9	0	0	0	111.2
13	K	32.7	Very low	38.7	Very low	193 Å²	193	149.7 Å²	149.7	84%	0.839	82%	0.818	S	S	*	*			trans	54.5	99.8	167.7	-69.9	-164.6	168.6	-159.9	0	118.7
14	E	33.7	Very low	39.7	Very low	195 Å²	195	147.2 Å²	147.2	91%	0.911	81%	0.808	S	S	*	*				-130.1	177.9	128.3	-69.5	-167	154.4	0	0	108.1
15	E	35.7	Very low	41.7	Very low	200 Å²	200	144 Å²	144	94%	0.935	80%	0.801	S	S	*	*			trans	85.6	104.1	-171.4	-59	-178.1	-171.1	0	0	116
16	E	35.2	Very low	43.7	Very low	198 Å²	198	140.7 Å²	140.7	93%	0.925	78%	0.777	S	S	*	*			trans	-106.4	164.2	165.7	-69.2	-171.5	130.4	0	0	110.5
17	E	39.6	Very low	45.8	Very low	190 Å²	190	135.3 Å²	135.3	89%	0.888	75%	0.749	S	S	*	*			trans	-66.3	152	-178	-43.6	-179	155.5	0	0	112.2
18	P	38.3	Very low	48.4	Very low	116 Å²	116	140 Å²	140	75%	0.753	75%	0.749	S	S	*	*				-149.7	152.1	81.3	38.1	-21	0	0	0	115.9
19	M	43.4	Very low	50.8	Low	185 Å²	185	135.7 Å²	135.7	91%	0.911	72%	0.724	S	S	*	*			trans	-154.2	117.3	153.5	-124.8	176.1	-67.7	0	0	115.7
20	D	39.7	Very low	53.3	Low	109 Å²	109	132.1 Å²	132.1	58%	0.583	69%	0.689	S	S	*	*			trans	57.7	108.8	141	-148.9	-18.7	0	0	0	121.2	S22	D20-S22 WeakPolarHBondContact OD1-CA 3.31Å; D20-S22 WeakPolarHBondContact OD1-CB 3.02Å; D20-S22 PolarHBondContact OD1-N 2.93Å; D20-S22 PolarHBondContact OD1-OG 3.08Å; D20-S22 PolarHBondContact OD2-OG 3.13Å
21	T	50.8	Low	55.6	Low	148 Å²	148	133.4 Å²	133.4	91%	0.908	69%	0.685	S	S	*	*	S	Bend	trans	-95.7	11.7	171.1	46.9	0	0	0	0	114.4
22	S	52.5	Low	58.4	Low	98 Å²	98	127 Å²	127	69%	0.685	66%	0.659	S	S	*	*			trans	-103.8	12.9	-169.3	75.3	0	0	0	0	116.6	D20	D20-S22 WeakPolarHBondContact OD1-CA 3.31Å; D20-S22 WeakPolarHBondContact OD1-CB 3.02Å; D20-S22 PolarHBondContact OD1-N 2.93Å; D20-S22 PolarHBondContact OD1-OG 3.08Å; D20-S22 PolarHBondContact OD2-OG 3.13Å
23	S	53.6	Low	61.1	Low	88 Å²	88	119.7 Å²	119.7	62%	0.615	62%	0.621	S	S	*	*			trans	-121	50.5	-178.3	58	0	0	0	0	114.9	T25	S23-T25 PolarHBondContact O-N 3.27Å
24	V	59.7	Low	63.9	Low	100 Å²	100	113.9 Å²	113.9	61%	0.606	60%	0.598	S	S	*	*			trans	-63.4	105.3	161.5	-176.4	0	0	0	0	108.3	H26	V24-H26 VanDerWaalsContact C-N 3.26Å; V24-H26 VanDerWaalsContact CG1-CE1 3.46Å; V24-H26 WeakPolarHBondContact CG1-CE1 3.33Å; V24-H26 PolarHBondContact O-CD2 3.32Å; V24-H26 PolarHBondContact O-N 3.35Å
25	T	75.6	Confident	66.5	Low	113 Å²	113	111.1 Å²	111.1	69%	0.693	59%	0.585	S	S	*	*			trans	-74.8	76.9	-177	51.9	0	0	0	0	111.2	S23 Q51	S23-T25 PolarHBondContact O-N 3.27Å; T25-Q51 PolarHBondContact O-NE2 3.45Å
26	H	81.4	Confident	69	Low	63 Å²	63	104.2 Å²	104.2	29%	0.292	56%	0.562	S	S	.	*			trans	-60.6	146.2	177	-71.7	-54.8	0	0	0	112.8	V24 Y30 D47	V24-H26 VanDerWaalsContact C-N 3.26Å; V24-H26 VanDerWaalsContact CG1-CE1 3.46Å; V24-H26 WeakPolarHBondContact CG1-CE1 3.33Å; V24-H26 PolarHBondContact O-CD2 3.32Å; V24-H26 PolarHBondContact O-N 3.35Å; H26-Y30 HydrophobicContact CB-CD1 3.98Å; H26-Y30 HydrophobicContact CB-CD2 4.17Å; H26-Y30 HydrophobicContact CB-CG 3.67Å; H26-Y30 AromaticContact CD2-CD1 3.89Å; H26-Y30 AromaticContact CD2-CE1 3.75Å; H26-Y30 AromaticContact CD2-CZ 3.86Å; H26-Y30 AromaticContact CE1-CD2 3.8Å; H26-Y30 AromaticContact CE1-CE2 3.46Å; H26-Y30 VanDerWaalsContact CE1-CE2 3.46Å; H26-Y30 WeakPolarHBondContact CE1-CE2 2.8Å; H26-Y30 AromaticContact CE1-CZ 3.79Å; H26-Y30 AromaticContact CG-CD1 3.81Å; H26-Y30 AromaticContact CG-CD2 3.68Å; H26-Y30 AromaticContact CG-CE2 3.99Å; H26-Y30 AromaticContact CG-CG 3.59Å; H26-Y30 AromaticContact ND1-CD2 3.4Å; H26-Y30 WeakPolarHBondContact ND1-CD2 3.46Å; H26-Y30 AromaticContact ND1-CE2 3.59Å; H26-Y30 AromaticContact ND1-CG 3.82Å; H26-Y30 AromaticContact NE2-CE1 3.99Å; H26-Y30 AromaticContact NE2-CE2 3.79Å; H26-Y30 AromaticContact NE2-CZ 3.61Å; H26-D47 VanDerWaalsContact CA-OD2 3.24Å; H26-D47 WeakPolarHBondContact CA-OD2 3.44Å; H26-D47 IonicContact CG-OD2 2.76Å; H26-D47 IonicContact ND1-OD2 2.67Å; H26-D47 PolarHBondContact ND1-OD2 3.26Å
27	T	83.8	Confident	71.6	Confident	36 Å²	36	95.9 Å²	95.9	22%	0.221	53%	0.529	C	S	.	.			trans	-69	161.7	173.6	75.4	0	0	0	0	110.8	H29 Y30 D47 F50 Q51	T27-H29 PolarHBondContact O-N 2.87Å; T27-H29 VanDerWaalsContact O-N 3.1Å; T27-H29 PolarHBondContact OG1-N 3.15Å; T27-Y30 VanDerWaalsContact O-CB 3.26Å; T27-Y30 WeakPolarHBondContact O-CB 3.31Å; T27-Y30 PolarHBondContact O-N 2.96Å; T27-D47 VanDerWaalsContact CB-OD1 3.25Å; T27-D47 WeakPolarHBondContact CB-OD1 3.36Å; T27-D47 WeakPolarHBondContact CG2-OD1 3.25Å; T27-D47 PolarHBondContact N-OD1 3.41Å; T27-D47 PolarHBondContact N-OD2 2.71Å; T27-D47 PolarHBondContact OG1-OD1 3.33Å; T27-F50 HydrophobicContact CG2-CB 4.3Å; T27-Q51 HydrophobicContact CG2-CG 3.78Å
28	E	85.5	Confident	74	Confident	179 Å²	179	86.9 Å²	86.9	84%	0.836	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-32.7	173.4	-60.8	-175.3	166.5	0	0	111.9	Y30 K31	E28-Y30 PolarHBondContact O-N 3.25Å; E28-K31 PolarHBondContact O-N 2.98Å
29	H	86.6	Confident	76.6	Confident	64 Å²	64	82.4 Å²	82.4	30%	0.296	46%	0.458	S	S	.	.	H	α-helix	trans	-66.8	-19.6	178.1	-58.2	-52.3	0	0	0	113.3	T27 K31 T32 L33 F50 Y57	T27-H29 PolarHBondContact O-N 2.87Å; T27-H29 VanDerWaalsContact O-N 3.1Å; T27-H29 PolarHBondContact OG1-N 3.15Å; H29-K31 PolarHBondContact O-N 3.31Å; H29-T32 CarbonylContact O-C 3.59Å; H29-T32 WeakPolarHBondContact O-CA 3.38Å; H29-T32 PolarHBondContact O-N 2.95Å; H29-L33 WeakPolarHBondContact O-CG 3.38Å; H29-L33 PolarHBondContact O-N 2.65Å; H29-F50 HydrophobicContact CB-CE2 4.5Å; H29-Y57 HydrophobicContact CB-CD1 4.47Å; H29-Y57 HydrophobicContact CB-CD2 3.93Å; H29-Y57 HydrophobicContact CB-CE2 4.45Å; H29-Y57 HydrophobicContact CB-CG 3.93Å; H29-Y57 WeakPolarHBondContact CD2-CB 3.43Å; H29-Y57 AromaticContact CD2-CG 3.95Å; H29-Y57 AromaticContact CE1-CD1 3.63Å; H29-Y57 VanDerWaalsContact CG-CB 3.47Å; H29-Y57 AromaticContact CG-CD1 3.81Å; H29-Y57 AromaticContact CG-CG 3.54Å; H29-Y57 AromaticContact ND1-CD1 3.34Å; H29-Y57 VanDerWaalsContact ND1-CD1 3.34Å; H29-Y57 WeakPolarHBondContact ND1-CD1 3.34Å; H29-Y57 AromaticContact ND1-CE1 3.87Å; H29-Y57 AromaticContact ND1-CG 3.6Å
30	Y	87.6	Confident	78.9	Confident	27 Å²	27	75.8 Å²	75.8	11%	0.106	43%	0.425	C	S	.	.	H	α-helix	trans	-57.4	-23.6	176.9	-176	-97.2	0	0	0	114	H26 T27 E28 L33 I34 E44 D47 W594	H26-Y30 HydrophobicContact CB-CD1 3.98Å; H26-Y30 HydrophobicContact CB-CD2 4.17Å; H26-Y30 HydrophobicContact CB-CG 3.67Å; H26-Y30 AromaticContact CD2-CD1 3.89Å; H26-Y30 AromaticContact CD2-CE1 3.75Å; H26-Y30 AromaticContact CD2-CZ 3.86Å; H26-Y30 AromaticContact CE1-CD2 3.8Å; H26-Y30 AromaticContact CE1-CE2 3.46Å; H26-Y30 VanDerWaalsContact CE1-CE2 3.46Å; H26-Y30 WeakPolarHBondContact CE1-CE2 2.8Å; H26-Y30 AromaticContact CE1-CZ 3.79Å; H26-Y30 AromaticContact CG-CD1 3.81Å; H26-Y30 AromaticContact CG-CD2 3.68Å; H26-Y30 AromaticContact CG-CE2 3.99Å; H26-Y30 AromaticContact CG-CG 3.59Å; H26-Y30 AromaticContact ND1-CD2 3.4Å; H26-Y30 WeakPolarHBondContact ND1-CD2 3.46Å; H26-Y30 AromaticContact ND1-CE2 3.59Å; H26-Y30 AromaticContact ND1-CG 3.82Å; H26-Y30 AromaticContact NE2-CE1 3.99Å; H26-Y30 AromaticContact NE2-CE2 3.79Å; H26-Y30 AromaticContact NE2-CZ 3.61Å; T27-Y30 VanDerWaalsContact O-CB 3.26Å; T27-Y30 WeakPolarHBondContact O-CB 3.31Å; T27-Y30 PolarHBondContact O-N 2.96Å; E28-Y30 PolarHBondContact O-N 3.25Å; Y30-L33 HydrophobicContact CD2-CD1 3.91Å; Y30-L33 HydrophobicContact CG-CD1 4.49Å; Y30-L33 CarbonylContact O-C 3.2Å; Y30-L33 WeakPolarHBondContact O-CA 3.42Å; Y30-L33 WeakPolarHBondContact O-CB 3.17Å; Y30-L33 PolarHBondContact O-N 3.41Å; Y30-I34 HydrophobicContact CD1-CG1 4.25Å; Y30-I34 HydrophobicContact CE1-CD1 4.04Å; Y30-I34 HydrophobicContact CE1-CG1 4.2Å; Y30-I34 WeakPolarHBondContact O-CG1 3.15Å; Y30-I34 PolarHBondContact O-N 2.93Å; Y30-E44 HydrophobicContact CE2-CG 3.83Å; Y30-D47 HydrophobicContact CD2-CB 4.13Å; Y30-W594 WeakPolarHBondContact OH-CZ2 3.5Å
31	K	89	Confident	81.5	Confident	152 Å²	152	73.3 Å²	73.3	66%	0.661	41%	0.409	S	S	*	.	H	α-helix	trans	-85.2	-37.1	173.6	-69.6	179.6	-177.2	172.8	0	113.1	E28 H29 L33 I34	E28-K31 PolarHBondContact O-N 2.98Å; H29-K31 PolarHBondContact O-N 3.31Å; K31-L33 CarbonylContact O-C 3.52Å; K31-L33 VanDerWaalsContact O-C 3.29Å; K31-L33 PolarHBondContact O-N 2.9Å; K31-I34 HydrophobicContact CG-CG1 4.37Å; K31-I34 WeakPolarHBondContact O-CB 3.48Å; K31-I34 PolarHBondContact O-N 2.82Å
32	T	89	Confident	83.5	Confident	60 Å²	60	66.3 Å²	66.3	37%	0.368	37%	0.366	S	S	.	.	H	α-helix	trans	-72.4	0.5	162.6	-23.9	0	0	0	0	111.7	H29 Y57 N593	H29-T32 CarbonylContact O-C 3.59Å; H29-T32 WeakPolarHBondContact O-CA 3.38Å; H29-T32 PolarHBondContact O-N 2.95Å; T32-Y57 WeakPolarHBondContact CB-OH 3.17Å; T32-Y57 WeakPolarHBondContact CG2-OH 3.41Å; T32-N593 VanDerWaalsContact O-CB 3.28Å; T32-N593 WeakPolarHBondContact O-CB 3.38Å; T32-N593 PolarHBondContact O-ND2 2.72Å
33	L	89.9	Confident	85.5	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-75.1	-81.6	144.5	-42.2	173.1	0	0	0	109.5	H29 Y30 K31 E35 A43 L46 D47 N593 W594	H29-L33 WeakPolarHBondContact O-CG 3.38Å; H29-L33 PolarHBondContact O-N 2.65Å; Y30-L33 HydrophobicContact CD2-CD1 3.91Å; Y30-L33 HydrophobicContact CG-CD1 4.49Å; Y30-L33 CarbonylContact O-C 3.2Å; Y30-L33 WeakPolarHBondContact O-CA 3.42Å; Y30-L33 WeakPolarHBondContact O-CB 3.17Å; Y30-L33 PolarHBondContact O-N 3.41Å; K31-L33 CarbonylContact O-C 3.52Å; K31-L33 VanDerWaalsContact O-C 3.29Å; K31-L33 PolarHBondContact O-N 2.9Å; L33-E35 PolarHBondContact O-N 3.22Å; L33-A43 HydrophobicContact CB-CB 4.21Å; L33-A43 HydrophobicContact CD1-CB 3.64Å; L33-A43 WeakPolarHBondContact CD1-O 3.36Å; L33-A43 HydrophobicContact CD2-CB 4.43Å; L33-A43 HydrophobicContact CG-CB 4.29Å; L33-L46 HydrophobicContact CD2-CD2 4.34Å; L33-D47 HydrophobicContact CD1-CB 4.05Å; L33-N593 HydrophobicContact CB-CB 4.18Å; L33-N593 HydrophobicContact CD2-CB 4.38Å; L33-N593 VanDerWaalsContact CD2-CG 3.43Å; L33-N593 WeakPolarHBondContact CD2-ND2 3.4Å; L33-N593 VanDerWaalsContact CD2-OD1 3.24Å; L33-N593 WeakPolarHBondContact CD2-OD1 3.41Å; L33-N593 WeakPolarHBondContact O-CB 3.09Å; L33-W594 HydrophobicContact CB-CB 4.11Å; L33-W594 HydrophobicContact CB-CG 4.21Å; L33-W594 WeakPolarHBondContact O-CB 3.31Å; L33-W594 PolarHBondContact O-N 3.34Å
34	I	90.5	Very high	87.4	Confident	70 Å²	70	60 Å²	60	36%	0.359	32%	0.316	S	S	.	.	H	α-helix	trans	-12.4	-25.9	-173.5	-71.8	-84.6	0	0	0	121.6	Y30 K31 A36 W594	Y30-I34 HydrophobicContact CD1-CG1 4.25Å; Y30-I34 HydrophobicContact CE1-CD1 4.04Å; Y30-I34 HydrophobicContact CE1-CG1 4.2Å; Y30-I34 WeakPolarHBondContact O-CG1 3.15Å; Y30-I34 PolarHBondContact O-N 2.93Å; K31-I34 HydrophobicContact CG-CG1 4.37Å; K31-I34 WeakPolarHBondContact O-CB 3.48Å; K31-I34 PolarHBondContact O-N 2.82Å; I34-A36 PolarHBondContact O-N 3.24Å; I34-W594 HydrophobicContact CB-CE3 4.46Å; I34-W594 HydrophobicContact CD1-CD2 4.27Å; I34-W594 HydrophobicContact CD1-CE3 3.93Å; I34-W594 HydrophobicContact CD1-CH2 3.69Å; I34-W594 HydrophobicContact CD1-CZ2 3.97Å; I34-W594 HydrophobicContact CD1-CZ3 3.67Å
35	E	89.8	Confident	89	Confident	138 Å²	138	56.7 Å²	56.7	65%	0.645	29%	0.293	S	S	*	.	S	Bend	trans	-99.9	53.1	-158.9	-61.7	170.8	163.6	0	0	115	L33	L33-E35 PolarHBondContact O-N 3.22Å
36	A	87.5	Confident	89.8	Confident	55 Å²	55	51.3 Å²	51.3	46%	0.455	26%	0.26	S	S	.	.	S	Bend	trans	67.9	111.8	170.4	0	0	0	0	0	118.4	I34 R69 N593 W594	I34-A36 PolarHBondContact O-N 3.24Å; A36-R69 VanDerWaalsContact O-CZ 3.27Å; A36-R69 PolarHBondContact O-NH1 3.36Å; A36-R69 PolarHBondContact O-NH2 2.8Å; A36-N593 CarbonylContact C-O 3.5Å; A36-N593 VanDerWaalsContact C-O 3.23Å; A36-N593 CarbonylContact O-C 3.6Å; A36-W594 WeakPolarHBondContact CA-O 3.46Å; A36-W594 PolarHBondContact N-O 3.48Å
37	G	89.5	Confident	90.3	Very high	23 Å²	23	48.3 Å²	48.3	24%	0.237	25%	0.246	C	C	.	.			cis	-155.3	37.5	13.7	0	0	0	0	0	118.4	N593 W594	G37-N593 CarbonylContact C-O 3.57Å; G37-N593 WeakPolarHBondContact CA-O 3.29Å; G37-N593 PolarHBondContact N-O 3.46Å; G37-W594 WeakPolarHBondContact CA-O 3.45Å
38	L	91.3	Very high	90.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-59.1	118.1	162.1	-75.6	-155.6	0	0	0	111.4	V42 A43 L46 I65 L68 R69 N593 W594 G595	L38-V42 HydrophobicContact CD1-CG1 4.32Å; L38-A43 HydrophobicContact CB-CB 4.28Å; L38-A43 HydrophobicContact CD1-CB 4.08Å; L38-L46 HydrophobicContact CD1-CD2 4.28Å; L38-I65 HydrophobicContact CD1-CG2 3.86Å; L38-I65 HydrophobicContact CD2-CG2 4.12Å; L38-I65 WeakPolarHBondContact CD2-O 3.41Å; L38-I65 HydrophobicContact CG-CG2 3.83Å; L38-L68 HydrophobicContact CD1-CB 4.38Å; L38-L68 HydrophobicContact CD1-CD1 4.24Å; L38-L68 HydrophobicContact CD2-CB 3.48Å; L38-L68 VanDerWaalsContact CD2-CB 3.48Å; L38-R69 HydrophobicContact CD2-CB 3.77Å; L38-N593 VanDerWaalsContact CD1-OD1 3.25Å; L38-N593 WeakPolarHBondContact CD1-OD1 3.29Å; L38-N593 PolarHBondContact N-O 2.67Å; L38-W594 CarbonylContact O-C 3.6Å; L38-W594 VanDerWaalsContact O-CA 3.31Å; L38-W594 WeakPolarHBondContact O-CA 3.5Å; L38-G595 PolarHBondContact O-N 2.58Å
39	P	92.4	Very high	91	Very high	22 Å²	22	41.7 Å²	41.7	14%	0.143	21%	0.212	C	C	.	.			trans	-45.9	142.9	-179.5	-30.5	35.8	0	0	0	115.2	K41 V42 A43 E73	P39-K41 VanDerWaalsContact C-N 3.35Å; P39-K41 PolarHBondContact O-N 3.49Å; P39-V42 HydrophobicContact CB-CB 4.26Å; P39-V42 HydrophobicContact CB-CG2 3.91Å; P39-V42 HydrophobicContact CG-CG2 4.22Å; P39-V42 WeakPolarHBondContact O-CA 3.24Å; P39-V42 VanDerWaalsContact O-CB 3.27Å; P39-V42 WeakPolarHBondContact O-CB 3.43Å; P39-V42 PolarHBondContact O-N 3.24Å; P39-A43 PolarHBondContact O-N 3.37Å; P39-A43 VanDerWaalsContact O-N 3.13Å; P39-E73 HydrophobicContact CB-CB 4.25Å; P39-E73 HydrophobicContact CB-CG 3.79Å; P39-E73 HydrophobicContact CG-CB 4.26Å; P39-E73 HydrophobicContact CG-CG 4.31Å
40	Q	91.7	Very high	91.3	Very high	47 Å²	47	39.5 Å²	39.5	22%	0.22	20%	0.202	C	C	.	.	H	α-helix	trans	-49.9	-51.6	-175.4	167.3	165.4	2.9	0	0	112.4	V42 A43 E44 W594 S596	Q40-V42 VanDerWaalsContact C-N 3.28Å; Q40-V42 PolarHBondContact O-N 3.34Å; Q40-A43 PolarHBondContact O-N 3.41Å; Q40-A43 VanDerWaalsContact O-N 3.08Å; Q40-E44 HydrophobicContact CG-CG 4.01Å; Q40-E44 WeakPolarHBondContact CG-OE1 3.35Å; Q40-E44 WeakPolarHBondContact CG-OE2 3.43Å; Q40-E44 PolarHBondContact NE2-OE1 2.9Å; Q40-E44 WeakPolarHBondContact O-CB 3.28Å; Q40-E44 VanDerWaalsContact O-CG 3.31Å; Q40-E44 WeakPolarHBondContact O-CG 3.24Å; Q40-E44 PolarHBondContact O-N 3.28Å; Q40-W594 HydrophobicContact CB-CH2 4.01Å; Q40-W594 HydrophobicContact CB-CZ2 3.46Å; Q40-W594 VanDerWaalsContact CB-CZ2 3.46Å; Q40-W594 HydrophobicContact CG-CH2 4.15Å; Q40-W594 HydrophobicContact CG-CZ2 3.5Å; Q40-W594 VanDerWaalsContact CG-CZ2 3.5Å; Q40-S596 VanDerWaalsContact CB-CA 3.44Å
41	K	93.2	Very high	91.4	Very high	57 Å²	57	42.6 Å²	42.6	25%	0.248	22%	0.218	C	C	.	.	H	α-helix	trans	-59.1	-39.8	177.7	-56.3	-169	-150.5	76	0	112.5	P39 A43 E44 R45 E73 L77 Q597	P39-K41 VanDerWaalsContact C-N 3.35Å; P39-K41 PolarHBondContact O-N 3.49Å; K41-A43 PolarHBondContact O-N 2.78Å; K41-E44 WeakPolarHBondContact CA-OE2 3.49Å; K41-R45 WeakPolarHBondContact O-CB 3.42Å; K41-R45 PolarHBondContact O-N 2.62Å; K41-E73 WeakPolarHBondContact CB-OE1 3.27Å; K41-E73 VanDerWaalsContact CG-OE1 3.29Å; K41-E73 WeakPolarHBondContact CG-OE1 3.28Å; K41-E73 IonicContact NZ-OE1 3.65Å; K41-E73 PolarHBondContact NZ-OE1 3.28Å; K41-E73 IonicContact NZ-OE2 3.89Å; K41-E73 PolarHBondContact NZ-OE2 3.31Å; K41-L77 HydrophobicContact CB-CD1 4.14Å; K41-L77 HydrophobicContact CB-CD2 4.25Å; K41-L77 HydrophobicContact CD-CD1 4.44Å; K41-Q597 PolarHBondContact NZ-O 2.8Å
42	V	93.9	Very high	91.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60	-36.3	179.5	171.5	0	0	0	0	110.9	L38 P39 Q40 L46 E73 A76 L77 L80	L38-V42 HydrophobicContact CD1-CG1 4.32Å; P39-V42 HydrophobicContact CB-CB 4.26Å; P39-V42 HydrophobicContact CB-CG2 3.91Å; P39-V42 HydrophobicContact CG-CG2 4.22Å; P39-V42 WeakPolarHBondContact O-CA 3.24Å; P39-V42 VanDerWaalsContact O-CB 3.27Å; P39-V42 WeakPolarHBondContact O-CB 3.43Å; P39-V42 PolarHBondContact O-N 3.24Å; Q40-V42 VanDerWaalsContact C-N 3.28Å; Q40-V42 PolarHBondContact O-N 3.34Å; V42-L46 PolarHBondContact O-N 2.76Å; V42-E73 HydrophobicContact CG2-CG 3.89Å; V42-A76 HydrophobicContact CB-CB 4.24Å; V42-A76 HydrophobicContact CG1-CB 3.65Å; V42-A76 HydrophobicContact CG2-CB 3.47Å; V42-A76 VanDerWaalsContact CG2-CB 3.47Å; V42-L77 HydrophobicContact CG2-CD2 4.49Å; V42-L77 HydrophobicContact CG2-CG 4.12Å; V42-L80 HydrophobicContact CG1-CD1 3.8Å; V42-L80 WeakPolarHBondContact O-CD1 3.16Å
43	A	93.4	Very high	91.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-101.7	-21.2	-175.5	0	0	0	0	0	114.7	L33 L38 P39 Q40 K41 L46 D47 W594	L33-A43 HydrophobicContact CB-CB 4.21Å; L33-A43 HydrophobicContact CD1-CB 3.64Å; L33-A43 WeakPolarHBondContact CD1-O 3.36Å; L33-A43 HydrophobicContact CD2-CB 4.43Å; L33-A43 HydrophobicContact CG-CB 4.29Å; L38-A43 HydrophobicContact CB-CB 4.28Å; L38-A43 HydrophobicContact CD1-CB 4.08Å; P39-A43 PolarHBondContact O-N 3.37Å; P39-A43 VanDerWaalsContact O-N 3.13Å; Q40-A43 PolarHBondContact O-N 3.41Å; Q40-A43 VanDerWaalsContact O-N 3.08Å; K41-A43 PolarHBondContact O-N 2.78Å; A43-L46 PolarHBondContact O-N 2.79Å; A43-D47 WeakPolarHBondContact O-CB 3.38Å; A43-D47 PolarHBondContact O-N 3.14Å; A43-W594 HydrophobicContact CB-CG 4.48Å
44	E	93.8	Very high	91.3	Very high	54 Å²	54	42.1 Å²	42.1	25%	0.252	24%	0.236	S	C	.	.	H	α-helix	trans	-55	-47.3	153.9	-70.3	166.4	160.1	0	0	108.6	Y30 Q40 K41 L46 D47 E48	Y30-E44 HydrophobicContact CE2-CG 3.83Å; Q40-E44 HydrophobicContact CG-CG 4.01Å; Q40-E44 WeakPolarHBondContact CG-OE1 3.35Å; Q40-E44 WeakPolarHBondContact CG-OE2 3.43Å; Q40-E44 PolarHBondContact NE2-OE1 2.9Å; Q40-E44 WeakPolarHBondContact O-CB 3.28Å; Q40-E44 VanDerWaalsContact O-CG 3.31Å; Q40-E44 WeakPolarHBondContact O-CG 3.24Å; Q40-E44 PolarHBondContact O-N 3.28Å; K41-E44 WeakPolarHBondContact CA-OE2 3.49Å; E44-L46 VanDerWaalsContact C-N 3.33Å; E44-L46 PolarHBondContact O-N 2.7Å; E44-D47 PolarHBondContact O-N 3.18Å; E44-E48 WeakPolarHBondContact O-CG 2.95Å; E44-E48 PolarHBondContact O-N 3.12Å
45	R	92.9	Very high	91.2	Very high	30 Å²	30	38.9 Å²	38.9	11%	0.113	22%	0.22	C	C	.	.	H	α-helix	trans	-65.1	-30.2	176.8	-166.2	74.5	-169.8	91.5	-4.8	113.9	K41 E48 I49 L77 L80 K84	K41-R45 WeakPolarHBondContact O-CB 3.42Å; K41-R45 PolarHBondContact O-N 2.62Å; R45-E48 IonicContact CZ-OE2 3.43Å; R45-E48 IonicContact NE-OE2 3.92Å; R45-E48 IonicContact NH1-OE2 2.67Å; R45-E48 PolarHBondContact NH1-OE2 2.98Å; R45-I49 WeakPolarHBondContact O-CD1 3.34Å; R45-I49 VanDerWaalsContact O-CG1 3.3Å; R45-I49 WeakPolarHBondContact O-CG1 3.4Å; R45-I49 PolarHBondContact O-N 2.58Å; R45-L77 HydrophobicContact CB-CD2 3.64Å; R45-L77 HydrophobicContact CG-CD2 3.8Å; R45-L80 HydrophobicContact CB-CD1 4.36Å; R45-L80 HydrophobicContact CG-CB 4.21Å; R45-L80 HydrophobicContact CG-CD1 4.48Å; R45-K84 VanDerWaalsContact NH1-NZ 3.18Å; R45-K84 VanDerWaalsContact NH2-CD 3.28Å
46	L	93.2	Very high	91.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-77.1	-39.5	173.7	-176.1	57.1	0	0	0	111.8	L33 L38 V42 A43 E44 I49 F50 L60 I65 L68 L80	L33-L46 HydrophobicContact CD2-CD2 4.34Å; L38-L46 HydrophobicContact CD1-CD2 4.28Å; V42-L46 PolarHBondContact O-N 2.76Å; A43-L46 PolarHBondContact O-N 2.79Å; E44-L46 VanDerWaalsContact C-N 3.33Å; E44-L46 PolarHBondContact O-N 2.7Å; L46-I49 WeakPolarHBondContact O-CA 3.44Å; L46-I49 WeakPolarHBondContact O-CB 3.26Å; L46-I49 PolarHBondContact O-N 2.9Å; L46-F50 HydrophobicContact CD1-CE1 3.91Å; L46-F50 HydrophobicContact CD1-CZ 3.97Å; L46-F50 HydrophobicContact CD2-CE2 4.5Å; L46-F50 HydrophobicContact CD2-CZ 4.08Å; L46-F50 HydrophobicContact CG-CE1 4.15Å; L46-F50 HydrophobicContact CG-CE2 4.05Å; L46-F50 HydrophobicContact CG-CZ 3.72Å; L46-F50 PolarHBondContact O-N 3.41Å; L46-L60 HydrophobicContact CD1-CD1 3.91Å; L46-L60 HydrophobicContact CD2-CD1 4.43Å; L46-I65 HydrophobicContact CD2-CD1 4.3Å; L46-L68 HydrophobicContact CD2-CD1 4.29Å; L46-L80 HydrophobicContact CB-CD1 4.17Å; L46-L80 HydrophobicContact CD1-CD2 3.95Å
47	D	92.5	Very high	91.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.4	-42.2	174.1	-172.3	71.3	0	0	0	111.2	H26 T27 Y30 L33 A43 E44 I49 F50 Q51	H26-D47 VanDerWaalsContact CA-OD2 3.24Å; H26-D47 WeakPolarHBondContact CA-OD2 3.44Å; H26-D47 IonicContact CG-OD2 2.76Å; H26-D47 IonicContact ND1-OD2 2.67Å; H26-D47 PolarHBondContact ND1-OD2 3.26Å; T27-D47 VanDerWaalsContact CB-OD1 3.25Å; T27-D47 WeakPolarHBondContact CB-OD1 3.36Å; T27-D47 WeakPolarHBondContact CG2-OD1 3.25Å; T27-D47 PolarHBondContact N-OD1 3.41Å; T27-D47 PolarHBondContact N-OD2 2.71Å; T27-D47 PolarHBondContact OG1-OD1 3.33Å; Y30-D47 HydrophobicContact CD2-CB 4.13Å; L33-D47 HydrophobicContact CD1-CB 4.05Å; A43-D47 WeakPolarHBondContact O-CB 3.38Å; A43-D47 PolarHBondContact O-N 3.14Å; E44-D47 PolarHBondContact O-N 3.18Å; D47-I49 PolarHBondContact O-N 2.76Å; D47-F50 CarbonylContact O-C 3.59Å; D47-F50 WeakPolarHBondContact O-CA 3.33Å; D47-F50 WeakPolarHBondContact O-CB 3.42Å; D47-F50 PolarHBondContact O-N 3.15Å; D47-Q51 WeakPolarHBondContact O-CG 3.09Å; D47-Q51 PolarHBondContact O-N 3.36Å; D47-Q51 PolarHBondContact OD2-NE2 3.19Å
48	E	92.2	Very high	91.3	Very high	77 Å²	77	36.9 Å²	36.9	36%	0.36	21%	0.209	S	C	.	.	H	α-helix	trans	-53.8	-39.3	167.8	-77.5	176.9	-129.3	0	0	112.7	E44 R45 Q51 T52 K84	E44-E48 WeakPolarHBondContact O-CG 2.95Å; E44-E48 PolarHBondContact O-N 3.12Å; R45-E48 IonicContact CZ-OE2 3.43Å; R45-E48 IonicContact NE-OE2 3.92Å; R45-E48 IonicContact NH1-OE2 2.67Å; R45-E48 PolarHBondContact NH1-OE2 2.98Å; E48-Q51 PolarHBondContact O-N 2.93Å; E48-T52 WeakPolarHBondContact O-CG2 3.23Å; E48-T52 PolarHBondContact O-N 2.94Å; E48-K84 IonicContact OE2-NZ 2.73Å
49	I	91.7	Very high	91.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-70	-37.2	178.5	-69.6	164.3	0	0	0	109.9	R45 L46 D47 T52 V55 L80 K84	R45-I49 WeakPolarHBondContact O-CD1 3.34Å; R45-I49 VanDerWaalsContact O-CG1 3.3Å; R45-I49 WeakPolarHBondContact O-CG1 3.4Å; R45-I49 PolarHBondContact O-N 2.58Å; L46-I49 WeakPolarHBondContact O-CA 3.44Å; L46-I49 WeakPolarHBondContact O-CB 3.26Å; L46-I49 PolarHBondContact O-N 2.9Å; D47-I49 PolarHBondContact O-N 2.76Å; I49-T52 PolarHBondContact O-N 3.42Å; I49-T52 PolarHBondContact O-OG1 2.89Å; I49-V55 HydrophobicContact CG2-CB 4.09Å; I49-V55 HydrophobicContact CG2-CG2 3.79Å; I49-L80 HydrophobicContact CD1-CB 3.94Å; I49-L80 HydrophobicContact CD1-CD2 4.13Å; I49-L80 WeakPolarHBondContact CD1-O 3.03Å; I49-K84 HydrophobicContact CD1-CB 4.09Å; I49-K84 HydrophobicContact CG1-CB 4.04Å; I49-K84 HydrophobicContact CG1-CD 3.99Å; I49-K84 HydrophobicContact CG1-CG 4.06Å
50	F	92.3	Very high	91.3	Very high	18 Å²	18	38.5 Å²	38.5	8%	0.079	22%	0.216	C	C	.	.	H	α-helix	trans	-63.6	-41.2	170.7	-58.4	-26.7	0	0	0	112.3	T27 H29 L46 D47 T52 G53 V55 Y57 L60	T27-F50 HydrophobicContact CG2-CB 4.3Å; H29-F50 HydrophobicContact CB-CE2 4.5Å; L46-F50 HydrophobicContact CD1-CE1 3.91Å; L46-F50 HydrophobicContact CD1-CZ 3.97Å; L46-F50 HydrophobicContact CD2-CE2 4.5Å; L46-F50 HydrophobicContact CD2-CZ 4.08Å; L46-F50 HydrophobicContact CG-CE1 4.15Å; L46-F50 HydrophobicContact CG-CE2 4.05Å; L46-F50 HydrophobicContact CG-CZ 3.72Å; L46-F50 PolarHBondContact O-N 3.41Å; D47-F50 CarbonylContact O-C 3.59Å; D47-F50 WeakPolarHBondContact O-CA 3.33Å; D47-F50 WeakPolarHBondContact O-CB 3.42Å; D47-F50 PolarHBondContact O-N 3.15Å; F50-T52 PolarHBondContact O-N 3.45Å; F50-G53 PolarHBondContact O-N 3.46Å; F50-V55 WeakPolarHBondContact CA-O 3.42Å; F50-V55 HydrophobicContact CD1-CB 4.29Å; F50-V55 HydrophobicContact CD1-CG1 4.35Å; F50-V55 WeakPolarHBondContact CD1-O 3.18Å; F50-V55 HydrophobicContact CE1-CG1 4.1Å; F50-Y57 AromaticContact CE2-CD2 3.88Å; F50-Y57 HydrophobicContact CE2-CD2 3.88Å; F50-Y57 HydrophobicContact CE2-CG 4.45Å; F50-Y57 HydrophobicContact CZ-CD2 4.02Å; F50-L60 HydrophobicContact CE1-CD1 3.87Å; F50-L60 HydrophobicContact CZ-CD1 4.03Å
51	Q	90.3	Very high	91.3	Very high	92 Å²	92	37.9 Å²	37.9	43%	0.43	22%	0.215	S	C	.	.	H	α-helix	trans	-61.1	-28.5	176.1	-67.4	171.9	32.4	0	0	113	T25 T27 D47 E48 G53	T25-Q51 PolarHBondContact O-NE2 3.45Å; T27-Q51 HydrophobicContact CG2-CG 3.78Å; D47-Q51 WeakPolarHBondContact O-CG 3.09Å; D47-Q51 PolarHBondContact O-N 3.36Å; D47-Q51 PolarHBondContact OD2-NE2 3.19Å; E48-Q51 PolarHBondContact O-N 2.93Å; Q51-G53 PolarHBondContact O-N 3.33Å
52	T	89.4	Confident	91.2	Very high	64 Å²	64	39.6 Å²	39.6	39%	0.393	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-12.4	173	67.3	0	0	0	0	114.7	E48 I49 F50 L54	E48-T52 WeakPolarHBondContact O-CG2 3.23Å; E48-T52 PolarHBondContact O-N 2.94Å; I49-T52 PolarHBondContact O-N 3.42Å; I49-T52 PolarHBondContact O-OG1 2.89Å; F50-T52 PolarHBondContact O-N 3.45Å; T52-L54 PolarHBondContact O-N 3.02Å; T52-L54 WeakPolarHBondContact OG1-CB 3.43Å; T52-L54 WeakPolarHBondContact OG1-CD1 3.47Å; T52-L54 WeakPolarHBondContact OG1-CG 3.45Å; T52-L54 PolarHBondContact OG1-N 2.87Å
53	G	88.5	Confident	91	Very high	61 Å²	61	48.2 Å²	48.2	63%	0.629	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	-4	-174.3	0	0	0	0	0	115.3	F50 Q51 V55	F50-G53 PolarHBondContact O-N 3.46Å; Q51-G53 PolarHBondContact O-N 3.33Å; G53-V55 PolarHBondContact O-N 3.1Å
54	L	86.5	Confident	91	Very high	76 Å²	76	48.2 Å²	48.2	40%	0.398	26%	0.256	S	S	.	.	S	Bend	trans	-61.4	-33.3	176.6	-67.7	174.2	0	0	0	112.3	T52 K84 K94	T52-L54 PolarHBondContact O-N 3.02Å; T52-L54 WeakPolarHBondContact OG1-CB 3.43Å; T52-L54 WeakPolarHBondContact OG1-CD1 3.47Å; T52-L54 WeakPolarHBondContact OG1-CG 3.45Å; T52-L54 PolarHBondContact OG1-N 2.87Å; L54-K84 HydrophobicContact CD1-CG 4.38Å; L54-K94 WeakPolarHBondContact O-CE 3.43Å; L54-K94 PolarHBondContact O-NZ 2.84Å
55	V	90.1	Very high	90.9	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.012	24%	0.244	C	C	.	.	S	Bend	trans	-139.7	135.5	-176	-170.9	0	0	0	0	108.1	I49 F50 G53 D59 L60 F83 L88 K94	I49-V55 HydrophobicContact CG2-CB 4.09Å; I49-V55 HydrophobicContact CG2-CG2 3.79Å; F50-V55 WeakPolarHBondContact CA-O 3.42Å; F50-V55 HydrophobicContact CD1-CB 4.29Å; F50-V55 HydrophobicContact CD1-CG1 4.35Å; F50-V55 WeakPolarHBondContact CD1-O 3.18Å; F50-V55 HydrophobicContact CE1-CG1 4.1Å; G53-V55 PolarHBondContact O-N 3.1Å; V55-D59 HydrophobicContact CG1-CB 4.12Å; V55-L60 HydrophobicContact CG1-CD1 4.3Å; V55-L60 HydrophobicContact CG1-CD2 4.07Å; V55-L60 HydrophobicContact CG1-CG 3.99Å; V55-F83 HydrophobicContact CG1-CE1 4.38Å; V55-F83 HydrophobicContact CG1-CZ 4.38Å; V55-F83 HydrophobicContact CG2-CE1 3.7Å; V55-F83 HydrophobicContact CG2-CZ 3.71Å; V55-L88 HydrophobicContact CG2-CD1 3.57Å; V55-K94 HydrophobicContact CB-CD 4.38Å; V55-K94 HydrophobicContact CG1-CD 4.16Å; V55-K94 HydrophobicContact CG2-CD 4.18Å
56	A	89.9	Confident	90.9	Very high	43 Å²	43	48 Å²	48	36%	0.355	26%	0.259	S	S	.	.			trans	-99	155.2	167.1	0	0	0	0	0	110.3	V58 D59	A56-V58 HydrophobicContact CB-CG2 3.87Å; A56-V58 PolarHBondContact O-N 3.04Å; A56-V58 VanDerWaalsContact O-N 3.16Å; A56-D59 PolarHBondContact N-OD2 2.95Å; A56-D59 VanDerWaalsContact O-CB 3.3Å; A56-D59 WeakPolarHBondContact O-CB 3.06Å; A56-D59 PolarHBondContact O-N 3.32Å
57	Y	88.1	Confident	90.8	Very high	20 Å²	20	49 Å²	49	8%	0.078	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-54.3	-34	174.3	177.1	-107	0	0	0	113	H29 T32 F50 D59 L60 Q591	H29-Y57 HydrophobicContact CB-CD1 4.47Å; H29-Y57 HydrophobicContact CB-CD2 3.93Å; H29-Y57 HydrophobicContact CB-CE2 4.45Å; H29-Y57 HydrophobicContact CB-CG 3.93Å; H29-Y57 WeakPolarHBondContact CD2-CB 3.43Å; H29-Y57 AromaticContact CD2-CG 3.95Å; H29-Y57 AromaticContact CE1-CD1 3.63Å; H29-Y57 VanDerWaalsContact CG-CB 3.47Å; H29-Y57 AromaticContact CG-CD1 3.81Å; H29-Y57 AromaticContact CG-CG 3.54Å; H29-Y57 AromaticContact ND1-CD1 3.34Å; H29-Y57 VanDerWaalsContact ND1-CD1 3.34Å; H29-Y57 WeakPolarHBondContact ND1-CD1 3.34Å; H29-Y57 AromaticContact ND1-CE1 3.87Å; H29-Y57 AromaticContact ND1-CG 3.6Å; T32-Y57 WeakPolarHBondContact CB-OH 3.17Å; T32-Y57 WeakPolarHBondContact CG2-OH 3.41Å; F50-Y57 AromaticContact CE2-CD2 3.88Å; F50-Y57 HydrophobicContact CE2-CD2 3.88Å; F50-Y57 HydrophobicContact CE2-CG 4.45Å; F50-Y57 HydrophobicContact CZ-CD2 4.02Å; Y57-D59 VanDerWaalsContact C-N 3.27Å; Y57-D59 PolarHBondContact O-N 3.46Å; Y57-L60 PolarHBondContact O-N 2.78Å; Y57-Q591 HydrophobicContact CE1-CB 4.27Å; Y57-Q591 HydrophobicContact CE1-CG 3.92Å; Y57-Q591 HydrophobicContact CE2-CG 4.15Å; Y57-Q591 VanDerWaalsContact OH-CB 3.22Å; Y57-Q591 WeakPolarHBondContact OH-CB 3.4Å; Y57-Q591 WeakPolarHBondContact OH-CG 3.46Å; Y57-Q591 PolarHBondContact OH-OE1 2.76Å
58	V	90.4	Very high	90.9	Very high	112 Å²	112	49 Å²	49	68%	0.679	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-71.4	-15.2	175.6	-62.1	0	0	0	0	114.5	A56 L60	A56-V58 HydrophobicContact CB-CG2 3.87Å; A56-V58 PolarHBondContact O-N 3.04Å; A56-V58 VanDerWaalsContact O-N 3.16Å; V58-L60 VanDerWaalsContact C-N 3.28Å
59	D	91.3	Very high	90.8	Very high	55 Å²	55	51 Å²	51	29%	0.294	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-80.8	-10.8	176	-59.2	-31.4	0	0	0	112.4	V55 A56 Y57 K94 S95	V55-D59 HydrophobicContact CG1-CB 4.12Å; A56-D59 PolarHBondContact N-OD2 2.95Å; A56-D59 VanDerWaalsContact O-CB 3.3Å; A56-D59 WeakPolarHBondContact O-CB 3.06Å; A56-D59 PolarHBondContact O-N 3.32Å; Y57-D59 VanDerWaalsContact C-N 3.27Å; Y57-D59 PolarHBondContact O-N 3.46Å; D59-K94 HydrophobicContact CB-CB 4.1Å; D59-K94 HydrophobicContact CB-CD 3.93Å; D59-K94 HydrophobicContact CB-CG 4.28Å; D59-K94 WeakPolarHBondContact OD2-CD 3.47Å; D59-K94 WeakPolarHBondContact OD2-CE 3.45Å; D59-K94 IonicContact OD2-NZ 2.72Å; D59-K94 PolarHBondContact OD2-NZ 3.47Å; D59-S95 WeakPolarHBondContact O-CB 3.38Å; D59-S95 PolarHBondContact O-N 2.58Å
60	L	92.7	Very high	90.8	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	30%	0.302	C	S	.	.	S	Bend	trans	-111.2	127.3	-179	-58.8	-171.8	0	0	0	110.9	L46 F50 V55 Y57 V58 F83 L98 N590 Q591	L46-L60 HydrophobicContact CD1-CD1 3.91Å; L46-L60 HydrophobicContact CD2-CD1 4.43Å; F50-L60 HydrophobicContact CE1-CD1 3.87Å; F50-L60 HydrophobicContact CZ-CD1 4.03Å; V55-L60 HydrophobicContact CG1-CD1 4.3Å; V55-L60 HydrophobicContact CG1-CD2 4.07Å; V55-L60 HydrophobicContact CG1-CG 3.99Å; Y57-L60 PolarHBondContact O-N 2.78Å; V58-L60 VanDerWaalsContact C-N 3.28Å; L60-F83 HydrophobicContact CD2-CZ 4.48Å; L60-L98 HydrophobicContact CD1-CD2 3.87Å; L60-L98 HydrophobicContact CD2-CD2 3.77Å; L60-L98 HydrophobicContact CG-CD2 4.49Å; L60-N590 PolarHBondContact O-ND2 3.1Å; L60-Q591 PolarHBondContact O-NE2 3.03Å; L60-Q591 VanDerWaalsContact O-NE2 3.1Å
61	D	91.7	Very high	90.7	Very high	34 Å²	34	57.7 Å²	57.7	18%	0.182	30%	0.302	C	S	.	.			trans	-93.5	164.9	-177.9	76.7	-19.9	0	0	0	113.1	R63 A64 S95 N590	D61-R63 PolarHBondContact O-N 3.4Å; D61-R63 IonicContact OD2-CZ 2.66Å; D61-R63 IonicContact OD2-NE 3.59Å; D61-R63 PolarHBondContact OD2-NE 3.29Å; D61-R63 IonicContact OD2-NH2 2.99Å; D61-R63 PolarHBondContact OD2-NH2 3.13Å; D61-A64 PolarHBondContact O-N 3.31Å; D61-A64 PolarHBondContact OD1-N 3.48Å; D61-S95 PolarHBondContact N-OG 3.39Å; D61-S95 PolarHBondContact OD1-OG 3.14Å; D61-N590 VanDerWaalsContact CA-OD1 3.28Å; D61-N590 WeakPolarHBondContact CA-OD1 3.43Å
62	E	90.8	Very high	90.8	Very high	92 Å²	92	57 Å²	57	43%	0.43	30%	0.302	S	S	.	.	H	α-helix	trans	-46.9	-27.8	177.5	-77.4	174.5	-153.2	0	0	114	D66 N590 Q591 Q592	E62-D66 WeakPolarHBondContact O-CB 3.31Å; E62-D66 PolarHBondContact O-N 2.84Å; E62-N590 PolarHBondContact N-OD1 3.14Å; E62-N590 VanDerWaalsContact N-OD1 3.11Å; E62-Q591 PolarHBondContact OE1-N 3.05Å; E62-Q592 VanDerWaalsContact CA-OE1 3.29Å; E62-Q592 HydrophobicContact CG-CG 4.38Å; E62-Q592 PolarHBondContact O-NE2 2.96Å; E62-Q592 PolarHBondContact O-OE1 2.98Å
63	R	90	Very high	91	Very high	182 Å²	182	56.3 Å²	56.3	69%	0.687	29%	0.294	S	S	*	.	H	α-helix	trans	-82.8	-29.7	-176.3	-60.9	175.9	-64.6	-160.5	-2.4	113.3	D61 A67	D61-R63 PolarHBondContact O-N 3.4Å; D61-R63 IonicContact OD2-CZ 2.66Å; D61-R63 IonicContact OD2-NE 3.59Å; D61-R63 PolarHBondContact OD2-NE 3.29Å; D61-R63 IonicContact OD2-NH2 2.99Å; D61-R63 PolarHBondContact OD2-NH2 3.13Å; R63-A67 WeakPolarHBondContact O-CB 3.24Å; R63-A67 PolarHBondContact O-N 3.37Å
64	A	92.3	Very high	91.2	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-73.9	-40.1	176.3	0	0	0	0	0	111.6	D61 A67 L68 S95 L98 M102	D61-A64 PolarHBondContact O-N 3.31Å; D61-A64 PolarHBondContact OD1-N 3.48Å; A64-A67 PolarHBondContact O-N 2.86Å; A64-L68 PolarHBondContact O-N 3.37Å; A64-S95 WeakPolarHBondContact CB-OG 3.21Å; A64-L98 HydrophobicContact CB-CD2 4.37Å; A64-M102 HydrophobicContact CB-CE 4.28Å; A64-M102 WeakPolarHBondContact O-CE 3.49Å
65	I	92.7	Very high	91.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-74.5	-40.9	-179.6	-59.1	-158.4	0	0	0	111.4	L38 L46 A67 L68 R69 Q592 N593	L38-I65 HydrophobicContact CD1-CG2 3.86Å; L38-I65 HydrophobicContact CD2-CG2 4.12Å; L38-I65 WeakPolarHBondContact CD2-O 3.41Å; L38-I65 HydrophobicContact CG-CG2 3.83Å; L46-I65 HydrophobicContact CD2-CD1 4.3Å; I65-A67 PolarHBondContact O-N 2.93Å; I65-L68 PolarHBondContact O-N 3.47Å; I65-R69 PolarHBondContact O-N 3.34Å; I65-Q592 WeakPolarHBondContact CG2-O 3.48Å; I65-N593 WeakPolarHBondContact CD1-ND2 3.44Å; I65-N593 HydrophobicContact CG2-CB 4.37Å; I65-N593 WeakPolarHBondContact CG2-OD1 3.47Å
66	D	91.7	Very high	91.7	Very high	80 Å²	80	56.8 Å²	56.8	43%	0.428	28%	0.278	S	S	.	.	H	α-helix	trans	-58.6	-37.6	168.4	-92.9	-5.9	0	0	0	111.8	E62 R69 E70 Q592	E62-D66 WeakPolarHBondContact O-CB 3.31Å; E62-D66 PolarHBondContact O-N 2.84Å; D66-R69 WeakPolarHBondContact O-CB 3.3Å; D66-R69 PolarHBondContact O-N 3.5Å; D66-E70 PolarHBondContact O-N 3.41Å; D66-Q592 VanDerWaalsContact CG-NE2 3.29Å; D66-Q592 VanDerWaalsContact N-NE2 3.17Å; D66-Q592 PolarHBondContact OD1-NE2 3.17Å
67	A	92	Very high	91.9	Very high	21 Å²	21	56.9 Å²	56.9	17%	0.174	27%	0.272	C	S	.	.	H	α-helix	trans	-68.6	-34.5	176.8	0	0	0	0	0	113.2	R63 A64 I65 F71 M102 R106	R63-A67 WeakPolarHBondContact O-CB 3.24Å; R63-A67 PolarHBondContact O-N 3.37Å; A64-A67 PolarHBondContact O-N 2.86Å; I65-A67 PolarHBondContact O-N 2.93Å; A67-F71 WeakPolarHBondContact O-CD2 3.44Å; A67-F71 VanDerWaalsContact O-CE2 3.3Å; A67-F71 WeakPolarHBondContact O-CE2 3.49Å; A67-M102 HydrophobicContact CB-CE 4.07Å; A67-M102 HydrophobicContact CB-SD 3.52Å; A67-M102 VanDerWaalsContact CB-SD 3.52Å; A67-R106 PolarHBondContact O-NH2 2.77Å
68	L	93.5	Very high	92.1	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-66	-37.6	171.1	-78	174.4	0	0	0	111.3	L38 L46 A64 I65 E70 F71 A76 V79 L80 L98 M102	L38-L68 HydrophobicContact CD1-CB 4.38Å; L38-L68 HydrophobicContact CD1-CD1 4.24Å; L38-L68 HydrophobicContact CD2-CB 3.48Å; L38-L68 VanDerWaalsContact CD2-CB 3.48Å; L46-L68 HydrophobicContact CD2-CD1 4.29Å; A64-L68 PolarHBondContact O-N 3.37Å; I65-L68 PolarHBondContact O-N 3.47Å; L68-E70 PolarHBondContact O-N 3.3Å; L68-F71 WeakPolarHBondContact O-CB 3.41Å; L68-F71 PolarHBondContact O-N 2.93Å; L68-F71 VanDerWaalsContact O-N 3.07Å; L68-A76 HydrophobicContact CD2-CB 4.43Å; L68-V79 HydrophobicContact CD2-CG1 4.08Å; L68-L80 HydrophobicContact CD1-CD2 4.21Å; L68-L80 HydrophobicContact CD2-CD2 4.38Å; L68-L80 HydrophobicContact CD2-CG 4.37Å; L68-L98 HydrophobicContact CD1-CD2 4.4Å; L68-M102 HydrophobicContact CD2-CE 3.94Å; L68-M102 HydrophobicContact CD2-CG 4.25Å; L68-M102 HydrophobicContact CD2-SD 3.91Å; L68-M102 HydrophobicContact CG-CE 3.72Å; L68-M102 HydrophobicContact CG-SD 3.99Å
69	R	90.7	Very high	92.3	Very high	117 Å²	117	52.7 Å²	52.7	44%	0.442	25%	0.251	S	S	.	.	H	α-helix	trans	-62.6	-26.7	179.4	-170	-179.5	175.5	166.5	8	113.6	A36 L38 I65 D66 F71	A36-R69 VanDerWaalsContact O-CZ 3.27Å; A36-R69 PolarHBondContact O-NH1 3.36Å; A36-R69 PolarHBondContact O-NH2 2.8Å; L38-R69 HydrophobicContact CD2-CB 3.77Å; I65-R69 PolarHBondContact O-N 3.34Å; D66-R69 WeakPolarHBondContact O-CB 3.3Å; D66-R69 PolarHBondContact O-N 3.5Å; R69-F71 VanDerWaalsContact C-N 3.3Å; R69-F71 PolarHBondContact O-N 2.69Å
70	E	91.1	Very high	92.5	Very high	138 Å²	138	50.1 Å²	50.1	65%	0.645	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-8.9	175.3	-77.3	-173	158	0	0	114.4	D66 L68 R106	D66-E70 PolarHBondContact O-N 3.41Å; L68-E70 PolarHBondContact O-N 3.3Å; E70-R106 IonicContact OE2-CZ 3.94Å; E70-R106 VanDerWaalsContact OE2-CZ 3.22Å; E70-R106 IonicContact OE2-NH1 3.31Å; E70-R106 PolarHBondContact OE2-NH1 3.12Å; E70-R106 IonicContact OE2-NH2 3.17Å; E70-R106 PolarHBondContact OE2-NH2 3.43Å
71	F	92	Very high	92.5	Very high	21 Å²	21	53.6 Å²	53.6	9%	0.092	25%	0.254	C	S	.	.	S	Bend	trans	-87.2	159	-180	-78.5	-109	0	0	0	112.8	A67 L68 R69 A76 V79 M102 Y105 R106	A67-F71 WeakPolarHBondContact O-CD2 3.44Å; A67-F71 VanDerWaalsContact O-CE2 3.3Å; A67-F71 WeakPolarHBondContact O-CE2 3.49Å; L68-F71 WeakPolarHBondContact O-CB 3.41Å; L68-F71 PolarHBondContact O-N 2.93Å; L68-F71 VanDerWaalsContact O-N 3.07Å; R69-F71 VanDerWaalsContact C-N 3.3Å; R69-F71 PolarHBondContact O-N 2.69Å; F71-A76 HydrophobicContact CB-CB 3.84Å; F71-A76 HydrophobicContact CG-CB 4.47Å; F71-V79 HydrophobicContact CE1-CG2 3.84Å; F71-V79 HydrophobicContact CZ-CG2 4.15Å; F71-M102 HydrophobicContact CD2-CG 4.5Å; F71-M102 HydrophobicContact CD2-SD 4.3Å; F71-M102 HydrophobicContact CE2-CB 3.78Å; F71-M102 HydrophobicContact CE2-CG 3.48Å; F71-M102 VanDerWaalsContact CE2-CG 3.48Å; F71-M102 HydrophobicContact CE2-SD 3.53Å; F71-M102 VanDerWaalsContact CE2-SD 3.53Å; F71-M102 HydrophobicContact CZ-CB 3.55Å; F71-M102 HydrophobicContact CZ-CG 3.55Å; F71-M102 HydrophobicContact CZ-SD 4.23Å; F71-Y105 HydrophobicContact CD1-CD1 4.24Å; F71-Y105 HydrophobicContact CD1-CE1 4.41Å; F71-Y105 AromaticContact CE1-CD1 3.64Å; F71-Y105 HydrophobicContact CE1-CD1 3.64Å; F71-Y105 HydrophobicContact CE1-CE1 4.25Å; F71-Y105 HydrophobicContact CE1-CG 4.29Å; F71-R106 HydrophobicContact CE1-CG 3.78Å; F71-R106 HydrophobicContact CE2-CG 4.45Å; F71-R106 HydrophobicContact CZ-CG 3.6Å
72	N	92.4	Very high	92.4	Very high	79 Å²	79	54.1 Å²	54.1	42%	0.422	26%	0.255	S	S	.	.			trans	-65.5	152.7	154.9	60.9	-38.7	0	0	0	110.2	E74 G75 A76	N72-E74 VanDerWaalsContact C-N 3.34Å; N72-E74 PolarHBondContact O-N 2.77Å; N72-G75 PolarHBondContact O-N 3.29Å; N72-G75 VanDerWaalsContact O-N 3.14Å; N72-G75 PolarHBondContact OD1-N 2.94Å; N72-A76 PolarHBondContact O-N 2.84Å
73	E	92.6	Very high	92.5	Very high	49 Å²	49	49.7 Å²	49.7	23%	0.229	23%	0.234	C	C	.	.	H	α-helix	trans	-55.3	-46.7	-176.3	-169.5	179.5	-145.3	0	0	112.8	P39 K41 V42 G75 A76 L77	P39-E73 HydrophobicContact CB-CB 4.25Å; P39-E73 HydrophobicContact CB-CG 3.79Å; P39-E73 HydrophobicContact CG-CB 4.26Å; P39-E73 HydrophobicContact CG-CG 4.31Å; K41-E73 WeakPolarHBondContact CB-OE1 3.27Å; K41-E73 VanDerWaalsContact CG-OE1 3.29Å; K41-E73 WeakPolarHBondContact CG-OE1 3.28Å; K41-E73 IonicContact NZ-OE1 3.65Å; K41-E73 PolarHBondContact NZ-OE1 3.28Å; K41-E73 IonicContact NZ-OE2 3.89Å; K41-E73 PolarHBondContact NZ-OE2 3.31Å; V42-E73 HydrophobicContact CG2-CG 3.89Å; E73-G75 PolarHBondContact O-N 2.95Å; E73-A76 PolarHBondContact O-N 2.84Å; E73-L77 HydrophobicContact CG-CD1 4.13Å; E73-L77 WeakPolarHBondContact O-CB 3.32Å; E73-L77 VanDerWaalsContact O-CG 3.29Å; E73-L77 WeakPolarHBondContact O-CG 3.32Å; E73-L77 PolarHBondContact O-N 2.87Å
74	E	92.3	Very high	92.5	Very high	147 Å²	147	44 Å²	44	69%	0.687	21%	0.214	S	C	*	.	H	α-helix	trans	-61	-42.2	178.1	-59.6	168.4	151	0	0	112.6	N72 L77 S78	N72-E74 VanDerWaalsContact C-N 3.34Å; N72-E74 PolarHBondContact O-N 2.77Å; E74-L77 PolarHBondContact O-N 2.94Å; E74-S78 WeakPolarHBondContact O-CB 3.43Å; E74-S78 PolarHBondContact O-N 2.8Å
75	G	92.7	Very high	92.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-70.9	-37.3	180	0	0	0	0	0	112.6	N72 E73 S78 V79 Y105	N72-G75 PolarHBondContact O-N 3.29Å; N72-G75 VanDerWaalsContact O-N 3.14Å; N72-G75 PolarHBondContact OD1-N 2.94Å; E73-G75 PolarHBondContact O-N 2.95Å; G75-S78 PolarHBondContact O-N 2.81Å; G75-V79 WeakPolarHBondContact O-CB 3.3Å; G75-V79 VanDerWaalsContact O-CG2 3.29Å; G75-V79 WeakPolarHBondContact O-CG2 2.95Å; G75-V79 PolarHBondContact O-N 2.83Å; G75-Y105 WeakPolarHBondContact CA-OH 3.45Å
76	A	94.2	Very high	92.2	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.008	26%	0.255	C	S	.	.	H	α-helix	trans	-66.4	-42.2	171.6	0	0	0	0	0	112	V42 L68 F71 N72 E73 V79 L80	V42-A76 HydrophobicContact CB-CB 4.24Å; V42-A76 HydrophobicContact CG1-CB 3.65Å; V42-A76 HydrophobicContact CG2-CB 3.47Å; V42-A76 VanDerWaalsContact CG2-CB 3.47Å; L68-A76 HydrophobicContact CD2-CB 4.43Å; F71-A76 HydrophobicContact CB-CB 3.84Å; F71-A76 HydrophobicContact CG-CB 4.47Å; N72-A76 PolarHBondContact O-N 2.84Å; E73-A76 PolarHBondContact O-N 2.84Å; A76-V79 PolarHBondContact O-N 3.1Å; A76-L80 WeakPolarHBondContact O-CB 3.12Å; A76-L80 WeakPolarHBondContact O-CG 3.22Å; A76-L80 PolarHBondContact O-N 2.67Å
77	L	94.9	Very high	91.9	Very high	46 Å²	46	50.9 Å²	50.9	24%	0.241	25%	0.25	C	C	.	.	H	α-helix	trans	-61.1	-43.1	173.6	-74.3	170	0	0	0	111.8	K41 V42 R45 E73 E74 L80 Q81	K41-L77 HydrophobicContact CB-CD1 4.14Å; K41-L77 HydrophobicContact CB-CD2 4.25Å; K41-L77 HydrophobicContact CD-CD1 4.44Å; V42-L77 HydrophobicContact CG2-CD2 4.49Å; V42-L77 HydrophobicContact CG2-CG 4.12Å; R45-L77 HydrophobicContact CB-CD2 3.64Å; R45-L77 HydrophobicContact CG-CD2 3.8Å; E73-L77 HydrophobicContact CG-CD1 4.13Å; E73-L77 WeakPolarHBondContact O-CB 3.32Å; E73-L77 VanDerWaalsContact O-CG 3.29Å; E73-L77 WeakPolarHBondContact O-CG 3.32Å; E73-L77 PolarHBondContact O-N 2.87Å; E74-L77 PolarHBondContact O-N 2.94Å; L77-L80 PolarHBondContact O-N 2.96Å; L77-Q81 WeakPolarHBondContact O-CB 3.26Å; L77-Q81 PolarHBondContact O-N 3.3Å
78	S	92.9	Very high	91.7	Very high	44 Å²	44	50.6 Å²	50.6	31%	0.308	25%	0.245	S	C	.	.	H	α-helix	trans	-65.5	-39.2	176.7	-170.6	0	0	0	0	112.7	E74 G75 Q81 Q82	E74-S78 WeakPolarHBondContact O-CB 3.43Å; E74-S78 PolarHBondContact O-N 2.8Å; G75-S78 PolarHBondContact O-N 2.81Å; S78-Q81 PolarHBondContact O-N 2.84Å; S78-Q82 WeakPolarHBondContact O-CG 3.48Å; S78-Q82 PolarHBondContact O-N 2.8Å; S78-Q82 PolarHBondContact O-NE2 2.84Å; S78-Q82 PolarHBondContact OG-NE2 3.05Å
79	V	93.9	Very high	91.4	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61	-45.2	171.5	159.4	0	0	0	0	111.4	L68 F71 G75 A76 Q82 F83 L98 V101 M102 Y105	L68-V79 HydrophobicContact CD2-CG1 4.08Å; F71-V79 HydrophobicContact CE1-CG2 3.84Å; F71-V79 HydrophobicContact CZ-CG2 4.15Å; G75-V79 WeakPolarHBondContact O-CB 3.3Å; G75-V79 VanDerWaalsContact O-CG2 3.29Å; G75-V79 WeakPolarHBondContact O-CG2 2.95Å; G75-V79 PolarHBondContact O-N 2.83Å; A76-V79 PolarHBondContact O-N 3.1Å; V79-Q82 PolarHBondContact O-N 2.84Å; V79-F83 VanDerWaalsContact O-CB 3.29Å; V79-F83 WeakPolarHBondContact O-CB 3.39Å; V79-F83 PolarHBondContact O-N 2.72Å; V79-L98 HydrophobicContact CG1-CD1 3.8Å; V79-V101 HydrophobicContact CG1-CG1 4.13Å; V79-M102 HydrophobicContact CB-CG 4.49Å; V79-M102 HydrophobicContact CG1-CG 3.57Å; V79-M102 HydrophobicContact CG2-CG 4.21Å; V79-Y105 HydrophobicContact CG2-CD1 4.45Å; V79-Y105 HydrophobicContact CG2-CD2 4.17Å; V79-Y105 HydrophobicContact CG2-CG 3.83Å
80	L	95.1	Very high	91.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-71	-33.1	-179.3	-71.1	175.9	0	0	0	112.5	V42 R45 L46 I49 L68 A76 L77 F83 K84 L98	V42-L80 HydrophobicContact CG1-CD1 3.8Å; V42-L80 WeakPolarHBondContact O-CD1 3.16Å; R45-L80 HydrophobicContact CB-CD1 4.36Å; R45-L80 HydrophobicContact CG-CB 4.21Å; R45-L80 HydrophobicContact CG-CD1 4.48Å; L46-L80 HydrophobicContact CB-CD1 4.17Å; L46-L80 HydrophobicContact CD1-CD2 3.95Å; I49-L80 HydrophobicContact CD1-CB 3.94Å; I49-L80 HydrophobicContact CD1-CD2 4.13Å; I49-L80 WeakPolarHBondContact CD1-O 3.03Å; L68-L80 HydrophobicContact CD1-CD2 4.21Å; L68-L80 HydrophobicContact CD2-CD2 4.38Å; L68-L80 HydrophobicContact CD2-CG 4.37Å; A76-L80 WeakPolarHBondContact O-CB 3.12Å; A76-L80 WeakPolarHBondContact O-CG 3.22Å; A76-L80 PolarHBondContact O-N 2.67Å; L77-L80 PolarHBondContact O-N 2.96Å; L80-F83 HydrophobicContact CD2-CD1 4.38Å; L80-F83 PolarHBondContact O-N 3.28Å; L80-K84 WeakPolarHBondContact O-CB 3.37Å; L80-K84 PolarHBondContact O-N 2.88Å; L80-L98 HydrophobicContact CD2-CD1 4.2Å
81	Q	93.1	Very high	91.5	Very high	75 Å²	75	45.5 Å²	45.5	35%	0.35	24%	0.237	S	C	.	.	H	α-helix	trans	-59.8	-55.6	169.9	-171.1	66.5	27.6	0	0	110.5	L77 S78 F83 K84 E85	L77-Q81 WeakPolarHBondContact O-CB 3.26Å; L77-Q81 PolarHBondContact O-N 3.3Å; S78-Q81 PolarHBondContact O-N 2.84Å; Q81-F83 PolarHBondContact O-N 3.34Å; Q81-K84 PolarHBondContact O-N 3.36Å; Q81-E85 WeakPolarHBondContact CG-OE1 3.28Å; Q81-E85 PolarHBondContact NE2-OE1 3.35Å; Q81-E85 WeakPolarHBondContact O-CG 3.28Å; Q81-E85 PolarHBondContact O-N 2.89Å
82	Q	90.1	Very high	91.4	Very high	44 Å²	44	50.9 Å²	50.9	21%	0.206	26%	0.262	C	S	.	.	H	α-helix	trans	-58.8	-33.4	177.5	-71	169	42.4	0	0	112.7	S78 V79 S86 V101	S78-Q82 WeakPolarHBondContact O-CG 3.48Å; S78-Q82 PolarHBondContact O-N 2.8Å; S78-Q82 PolarHBondContact O-NE2 2.84Å; S78-Q82 PolarHBondContact OG-NE2 3.05Å; V79-Q82 PolarHBondContact O-N 2.84Å; Q82-S86 WeakPolarHBondContact O-CB 3.5Å; Q82-S86 PolarHBondContact O-N 2.66Å; Q82-S86 PolarHBondContact O-OG 2.72Å; Q82-V101 HydrophobicContact CB-CG1 3.94Å
83	F	92.3	Very high	91.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-73.3	-33.9	176.8	-179.3	-126.9	0	0	0	113	V55 L60 V79 L80 Q81 L88 K94 F97 L98	V55-F83 HydrophobicContact CG1-CE1 4.38Å; V55-F83 HydrophobicContact CG1-CZ 4.38Å; V55-F83 HydrophobicContact CG2-CE1 3.7Å; V55-F83 HydrophobicContact CG2-CZ 3.71Å; L60-F83 HydrophobicContact CD2-CZ 4.48Å; V79-F83 VanDerWaalsContact O-CB 3.29Å; V79-F83 WeakPolarHBondContact O-CB 3.39Å; V79-F83 PolarHBondContact O-N 2.72Å; L80-F83 HydrophobicContact CD2-CD1 4.38Å; L80-F83 PolarHBondContact O-N 3.28Å; Q81-F83 PolarHBondContact O-N 3.34Å; F83-L88 HydrophobicContact CD2-CD1 4.27Å; F83-L88 HydrophobicContact CD2-CD2 4.07Å; F83-L88 HydrophobicContact CE2-CD1 3.74Å; F83-L88 HydrophobicContact CE2-CD2 3.75Å; F83-L88 HydrophobicContact CE2-CG 4.42Å; F83-L88 HydrophobicContact CZ-CD1 3.93Å; F83-K94 HydrophobicContact CZ-CB 4.32Å; F83-F97 AromaticContact CD2-CD1 3.84Å; F83-F97 HydrophobicContact CD2-CD1 3.84Å; F83-F97 HydrophobicContact CD2-CE1 4.22Å; F83-F97 AromaticContact CE2-CD1 3.91Å; F83-F97 HydrophobicContact CE2-CD1 3.91Å; F83-L98 HydrophobicContact CB-CD1 4.08Å; F83-L98 HydrophobicContact CD1-CB 4.48Å; F83-L98 HydrophobicContact CD1-CD1 3.79Å; F83-L98 HydrophobicContact CD1-CD2 4.23Å; F83-L98 HydrophobicContact CD1-CG 4.36Å; F83-L98 HydrophobicContact CD2-CB 4.14Å; F83-L98 HydrophobicContact CD2-CD1 4.27Å; F83-L98 HydrophobicContact CE1-CB 4.18Å; F83-L98 HydrophobicContact CE1-CD1 4.22Å; F83-L98 HydrophobicContact CE1-CD2 3.89Å; F83-L98 HydrophobicContact CE1-CG 4.3Å; F83-L98 HydrophobicContact CE2-CB 3.84Å; F83-L98 HydrophobicContact CG-CB 4.45Å; F83-L98 HydrophobicContact CG-CD1 3.8Å; F83-L98 HydrophobicContact CZ-CB 3.86Å; F83-L98 HydrophobicContact CZ-CD2 4.31Å; F83-L98 HydrophobicContact CZ-CG 4.47Å
84	K	90.4	Very high	91.5	Very high	61 Å²	61	51.1 Å²	51.1	27%	0.265	26%	0.263	S	S	.	.	H	α-helix	trans	-72.7	-31.7	172.7	-167.3	-178.3	-169.1	171	0	112.4	R45 E48 I49 L54 L80 Q81	R45-K84 VanDerWaalsContact NH1-NZ 3.18Å; R45-K84 VanDerWaalsContact NH2-CD 3.28Å; E48-K84 IonicContact OE2-NZ 2.73Å; I49-K84 HydrophobicContact CD1-CB 4.09Å; I49-K84 HydrophobicContact CG1-CB 4.04Å; I49-K84 HydrophobicContact CG1-CD 3.99Å; I49-K84 HydrophobicContact CG1-CG 4.06Å; L54-K84 HydrophobicContact CD1-CG 4.38Å; L80-K84 WeakPolarHBondContact O-CB 3.37Å; L80-K84 PolarHBondContact O-N 2.88Å; Q81-K84 PolarHBondContact O-N 3.36Å
85	E	89.8	Confident	91.7	Very high	130 Å²	130	44.2 Å²	44.2	61%	0.607	23%	0.231	S	C	*	.	H	α-helix	trans	-83.4	-12.7	177.8	-68.8	164.7	166.9	0	0	113.3	Q81	Q81-E85 WeakPolarHBondContact CG-OE1 3.28Å; Q81-E85 PolarHBondContact NE2-OE1 3.35Å; Q81-E85 WeakPolarHBondContact O-CG 3.28Å; Q81-E85 PolarHBondContact O-N 2.89Å
86	S	88.3	Confident	91.6	Very high	36 Å²	36	47 Å²	47	25%	0.252	25%	0.254	S	S	.	.	S	Bend	trans	-75.6	140.1	176.4	-68.4	0	0	0	0	111.6	Q82 L88	Q82-S86 WeakPolarHBondContact O-CB 3.5Å; Q82-S86 PolarHBondContact O-N 2.66Å; Q82-S86 PolarHBondContact O-OG 2.72Å; S86-L88 PolarHBondContact O-N 3.33Å; S86-L88 VanDerWaalsContact O-N 3.12Å
87	D	85.9	Confident	91.6	Very high	59 Å²	59	47.7 Å²	47.7	32%	0.316	26%	0.257	S	S	.	.			trans	-62.4	112.7	163	169.5	33.9	0	0	0	110.1	S89 H90	D87-S89 WeakPolarHBondContact OD1-CB 3.32Å; D87-S89 PolarHBondContact OD1-N 3.08Å; D87-S89 PolarHBondContact OD1-OG 3.38Å; D87-S89 PolarHBondContact OD2-OG 2.87Å; D87-H90 IonicContact OD2-CD2 3.29Å
88	L	87.5	Confident	91.6	Very high	15 Å²	15	45.5 Å²	45.5	8%	0.079	25%	0.245	C	C	.	.			trans	-102.1	0.4	174.9	-57.3	-174	0	0	0	113.2	V55 F83 S86 H90 V91 F97	V55-L88 HydrophobicContact CG2-CD1 3.57Å; F83-L88 HydrophobicContact CD2-CD1 4.27Å; F83-L88 HydrophobicContact CD2-CD2 4.07Å; F83-L88 HydrophobicContact CE2-CD1 3.74Å; F83-L88 HydrophobicContact CE2-CD2 3.75Å; F83-L88 HydrophobicContact CE2-CG 4.42Å; F83-L88 HydrophobicContact CZ-CD1 3.93Å; S86-L88 PolarHBondContact O-N 3.33Å; S86-L88 VanDerWaalsContact O-N 3.12Å; L88-H90 PolarHBondContact O-N 3.26Å; L88-V91 HydrophobicContact CB-CG2 4.49Å; L88-V91 HydrophobicContact CD2-CB 4.4Å; L88-V91 HydrophobicContact CD2-CG2 3.98Å; L88-V91 PolarHBondContact O-N 3.4Å; L88-V91 VanDerWaalsContact O-N 3.14Å; L88-F97 HydrophobicContact CD2-CD1 3.9Å; L88-F97 HydrophobicContact CD2-CE1 3.89Å; L88-F97 HydrophobicContact CD2-CG 4.38Å; L88-F97 HydrophobicContact CD2-CZ 4.34Å
89	S	88.1	Confident	91.7	Very high	90 Å²	90	45.3 Å²	45.3	63%	0.629	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-31.6	-174.5	68.5	0	0	0	0	113.4	D87	D87-S89 WeakPolarHBondContact OD1-CB 3.32Å; D87-S89 PolarHBondContact OD1-N 3.08Å; D87-S89 PolarHBondContact OD1-OG 3.38Å; D87-S89 PolarHBondContact OD2-OG 2.87Å
90	H	90.4	Very high	91.6	Very high	47 Å²	47	45.8 Å²	45.8	22%	0.218	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	14.6	178.7	-64.7	-59	0	0	0	113.4	D87 L88 L131 L138 D139 V140	D87-H90 IonicContact OD2-CD2 3.29Å; L88-H90 PolarHBondContact O-N 3.26Å; H90-L131 WeakPolarHBondContact CE1-CD1 3.24Å; H90-L138 HydrophobicContact CB-CB 4.44Å; H90-L138 HydrophobicContact CB-CD2 4.25Å; H90-L138 HydrophobicContact CB-CG 4.11Å; H90-D139 CarbonylContact O-C 3.51Å; H90-D139 VanDerWaalsContact O-CA 3.32Å; H90-D139 WeakPolarHBondContact O-CA 3.33Å; H90-V140 HydrophobicContact CB-CB 4.22Å; H90-V140 HydrophobicContact CB-CG2 3.58Å; H90-V140 PolarHBondContact O-N 2.82Å
91	V	92.7	Very high	91.6	Very high	11 Å²	11	46.2 Å²	46.2	7%	0.067	25%	0.251	C	S	.	.			trans	-95.3	103.5	-176.8	176.6	0	0	0	0	110.4	L88 N93 K94 F97 V140	L88-V91 HydrophobicContact CB-CG2 4.49Å; L88-V91 HydrophobicContact CD2-CB 4.4Å; L88-V91 HydrophobicContact CD2-CG2 3.98Å; L88-V91 PolarHBondContact O-N 3.4Å; L88-V91 VanDerWaalsContact O-N 3.14Å; V91-N93 VanDerWaalsContact C-N 3.32Å; V91-N93 PolarHBondContact O-N 2.89Å; V91-K94 HydrophobicContact CG1-CG 4.37Å; V91-F97 HydrophobicContact CB-CD2 4.34Å; V91-F97 HydrophobicContact CG1-CB 3.5Å; V91-F97 VanDerWaalsContact CG1-CB 3.5Å; V91-F97 HydrophobicContact CG1-CD2 3.74Å; V91-F97 HydrophobicContact CG1-CG 3.8Å; V91-F97 HydrophobicContact CG2-CD2 3.55Å; V91-F97 HydrophobicContact CG2-CE2 3.76Å; V91-F97 HydrophobicContact CG2-CG 4.21Å; V91-V140 HydrophobicContact CG2-CB 4.2Å; V91-V140 HydrophobicContact CG2-CG1 4.49Å; V91-V140 WeakPolarHBondContact CG2-O 3.4Å
92	Q	90.9	Very high	91.6	Very high	134 Å²	134	42.9 Å²	42.9	63%	0.626	24%	0.235	S	C	*	.	S	Bend	trans	-71.4	-24.6	-176.9	-63.7	-174.7	9.1	0	0	113.8	D139	Q92-D139 VanDerWaalsContact CB-OD1 3.3Å; Q92-D139 WeakPolarHBondContact CB-OD1 3.08Å; Q92-D139 HydrophobicContact CG-CB 4.04Å; Q92-D139 WeakPolarHBondContact CG-OD1 3.31Å; Q92-D139 PolarHBondContact N-OD1 2.75Å; Q92-D139 VanDerWaalsContact N-OD1 3.16Å
93	N	93.2	Very high	91.7	Very high	89 Å²	89	47.6 Å²	47.6	48%	0.476	26%	0.255	S	S	.	.			trans	-132.1	90.3	-179.9	-171.7	-34	0	0	0	110.6	V91 S95 A96 F97	V91-N93 VanDerWaalsContact C-N 3.32Å; V91-N93 PolarHBondContact O-N 2.89Å; N93-S95 VanDerWaalsContact C-N 3.33Å; N93-S95 PolarHBondContact O-N 2.88Å; N93-S95 PolarHBondContact OD1-N 3.47Å; N93-A96 HydrophobicContact CB-CB 4.01Å; N93-A96 PolarHBondContact O-N 2.88Å; N93-A96 WeakPolarHBondContact OD1-CB 3.5Å; N93-A96 PolarHBondContact OD1-N 3.27Å; N93-F97 PolarHBondContact O-N 3.07Å
94	K	94	Very high	91.6	Very high	44 Å²	44	48.1 Å²	48.1	19%	0.191	26%	0.258	C	S	.	.	H	α-helix	trans	-63.3	-36.9	-175.9	-51.2	-174.3	-164.3	166.4	0	112	L54 V55 D59 F83 V91 F97 L98	L54-K94 WeakPolarHBondContact O-CE 3.43Å; L54-K94 PolarHBondContact O-NZ 2.84Å; V55-K94 HydrophobicContact CB-CD 4.38Å; V55-K94 HydrophobicContact CG1-CD 4.16Å; V55-K94 HydrophobicContact CG2-CD 4.18Å; D59-K94 HydrophobicContact CB-CB 4.1Å; D59-K94 HydrophobicContact CB-CD 3.93Å; D59-K94 HydrophobicContact CB-CG 4.28Å; D59-K94 WeakPolarHBondContact OD2-CD 3.47Å; D59-K94 WeakPolarHBondContact OD2-CE 3.45Å; D59-K94 IonicContact OD2-NZ 2.72Å; D59-K94 PolarHBondContact OD2-NZ 3.47Å; F83-K94 HydrophobicContact CZ-CB 4.32Å; V91-K94 HydrophobicContact CG1-CG 4.37Å; K94-F97 PolarHBondContact O-N 3.13Å; K94-L98 WeakPolarHBondContact O-CB 3.29Å; K94-L98 PolarHBondContact O-N 2.69Å
95	S	94.6	Very high	91.7	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.021	25%	0.251	C	S	.	.	H	α-helix	trans	-59	-48.4	172.8	-149.3	0	0	0	0	112.7	D59 D61 A64 N93 F97 L98 C99	D59-S95 WeakPolarHBondContact O-CB 3.38Å; D59-S95 PolarHBondContact O-N 2.58Å; D61-S95 PolarHBondContact N-OG 3.39Å; D61-S95 PolarHBondContact OD1-OG 3.14Å; A64-S95 WeakPolarHBondContact CB-OG 3.21Å; N93-S95 VanDerWaalsContact C-N 3.33Å; N93-S95 PolarHBondContact O-N 2.88Å; N93-S95 PolarHBondContact OD1-N 3.47Å; S95-F97 VanDerWaalsContact C-N 3.31Å; S95-F97 PolarHBondContact O-N 3.5Å; S95-L98 PolarHBondContact O-N 3.23Å; S95-C99 WeakPolarHBondContact O-CB 3.35Å; S95-C99 PolarHBondContact O-N 2.9Å; S95-C99 PolarHBondContact O-SG 2.93Å; S95-C99 VanDerWaalsContact O-SG 3.34Å
96	A	92.2	Very high	91.8	Very high	57 Å²	57	44.3 Å²	44.3	47%	0.471	24%	0.237	S	C	.	.	H	α-helix	trans	-66	-34.4	178.7	0	0	0	0	0	112.3	N93 G100	N93-A96 HydrophobicContact CB-CB 4.01Å; N93-A96 PolarHBondContact O-N 2.88Å; N93-A96 WeakPolarHBondContact OD1-CB 3.5Å; N93-A96 PolarHBondContact OD1-N 3.27Å; A96-G100 PolarHBondContact O-N 2.88Å
97	F	93.9	Very high	91.8	Very high	16 Å²	16	46.3 Å²	46.3	7%	0.07	24%	0.242	C	C	.	.	H	α-helix	trans	-65.9	-48.4	173.2	-170.7	-78.2	0	0	0	111.6	F83 L88 V91 N93 K94 S95 C99 G100 V101 V140 T142	F83-F97 AromaticContact CD2-CD1 3.84Å; F83-F97 HydrophobicContact CD2-CD1 3.84Å; F83-F97 HydrophobicContact CD2-CE1 4.22Å; F83-F97 AromaticContact CE2-CD1 3.91Å; F83-F97 HydrophobicContact CE2-CD1 3.91Å; L88-F97 HydrophobicContact CD2-CD1 3.9Å; L88-F97 HydrophobicContact CD2-CE1 3.89Å; L88-F97 HydrophobicContact CD2-CG 4.38Å; L88-F97 HydrophobicContact CD2-CZ 4.34Å; V91-F97 HydrophobicContact CB-CD2 4.34Å; V91-F97 HydrophobicContact CG1-CB 3.5Å; V91-F97 VanDerWaalsContact CG1-CB 3.5Å; V91-F97 HydrophobicContact CG1-CD2 3.74Å; V91-F97 HydrophobicContact CG1-CG 3.8Å; V91-F97 HydrophobicContact CG2-CD2 3.55Å; V91-F97 HydrophobicContact CG2-CE2 3.76Å; V91-F97 HydrophobicContact CG2-CG 4.21Å; N93-F97 PolarHBondContact O-N 3.07Å; K94-F97 PolarHBondContact O-N 3.13Å; S95-F97 VanDerWaalsContact C-N 3.31Å; S95-F97 PolarHBondContact O-N 3.5Å; F97-C99 PolarHBondContact O-N 2.67Å; F97-G100 CarbonylContact O-C 3.09Å; F97-G100 WeakPolarHBondContact O-CA 3.44Å; F97-G100 PolarHBondContact O-N 2.88Å; F97-V101 HydrophobicContact CD1-CG2 3.85Å; F97-V101 HydrophobicContact CE1-CG2 3.62Å; F97-V101 PolarHBondContact O-N 3.41Å; F97-V140 HydrophobicContact CE2-CG1 4.35Å; F97-T142 HydrophobicContact CD1-CG2 4.22Å; F97-T142 HydrophobicContact CD2-CG2 4.09Å; F97-T142 HydrophobicContact CE1-CG2 4.09Å; F97-T142 HydrophobicContact CE2-CG2 3.95Å; F97-T142 HydrophobicContact CG-CG2 4.21Å; F97-T142 HydrophobicContact CZ-CG2 3.96Å
98	L	95	Very high	91.9	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60.2	-43.7	176.2	175.1	54.6	0	0	0	111.8	L60 A64 L68 V79 L80 F83 K94 S95 G100 V101 M102	L60-L98 HydrophobicContact CD1-CD2 3.87Å; L60-L98 HydrophobicContact CD2-CD2 3.77Å; L60-L98 HydrophobicContact CG-CD2 4.49Å; A64-L98 HydrophobicContact CB-CD2 4.37Å; L68-L98 HydrophobicContact CD1-CD2 4.4Å; V79-L98 HydrophobicContact CG1-CD1 3.8Å; L80-L98 HydrophobicContact CD2-CD1 4.2Å; F83-L98 HydrophobicContact CB-CD1 4.08Å; F83-L98 HydrophobicContact CD1-CB 4.48Å; F83-L98 HydrophobicContact CD1-CD1 3.79Å; F83-L98 HydrophobicContact CD1-CD2 4.23Å; F83-L98 HydrophobicContact CD1-CG 4.36Å; F83-L98 HydrophobicContact CD2-CB 4.14Å; F83-L98 HydrophobicContact CD2-CD1 4.27Å; F83-L98 HydrophobicContact CE1-CB 4.18Å; F83-L98 HydrophobicContact CE1-CD1 4.22Å; F83-L98 HydrophobicContact CE1-CD2 3.89Å; F83-L98 HydrophobicContact CE1-CG 4.3Å; F83-L98 HydrophobicContact CE2-CB 3.84Å; F83-L98 HydrophobicContact CG-CB 4.45Å; F83-L98 HydrophobicContact CG-CD1 3.8Å; F83-L98 HydrophobicContact CZ-CB 3.86Å; F83-L98 HydrophobicContact CZ-CD2 4.31Å; F83-L98 HydrophobicContact CZ-CG 4.47Å; K94-L98 WeakPolarHBondContact O-CB 3.29Å; K94-L98 PolarHBondContact O-N 2.69Å; S95-L98 PolarHBondContact O-N 3.23Å; L98-G100 PolarHBondContact O-N 2.88Å; L98-V101 PolarHBondContact O-N 3.33Å; L98-M102 HydrophobicContact CD1-CE 4.04Å; L98-M102 HydrophobicContact CD2-CE 4.3Å; L98-M102 HydrophobicContact CG-CE 3.6Å; L98-M102 PolarHBondContact O-N 3.32Å
99	C	94.1	Very high	91.8	Very high	41 Å²	41	51.2 Å²	51.2	28%	0.277	26%	0.26	S	S	.	.	H	α-helix	trans	-59.2	-31.9	168.5	-70.9	0	0	0	0	112.7	S95 F97 K103	S95-C99 WeakPolarHBondContact O-CB 3.35Å; S95-C99 PolarHBondContact O-N 2.9Å; S95-C99 PolarHBondContact O-SG 2.93Å; S95-C99 VanDerWaalsContact O-SG 3.34Å; F97-C99 PolarHBondContact O-N 2.67Å; C99-K103 VanDerWaalsContact O-CB 3.24Å; C99-K103 WeakPolarHBondContact O-CB 3.24Å; C99-K103 PolarHBondContact O-N 2.99Å
100	G	92.5	Very high	91.8	Very high	9 Å²	9	54.9 Å²	54.9	9%	0.093	27%	0.265	C	S	.	.	H	α-helix	trans	-67.1	-43.5	172.3	0	0	0	0	0	113.3	A96 F97 L98 K103 T104 T142	A96-G100 PolarHBondContact O-N 2.88Å; F97-G100 CarbonylContact O-C 3.09Å; F97-G100 WeakPolarHBondContact O-CA 3.44Å; F97-G100 PolarHBondContact O-N 2.88Å; L98-G100 PolarHBondContact O-N 2.88Å; G100-K103 PolarHBondContact O-N 3.44Å; G100-T104 WeakPolarHBondContact O-CB 3.41Å; G100-T104 PolarHBondContact O-N 2.89Å; G100-T104 PolarHBondContact O-OG1 3.17Å; G100-T142 WeakPolarHBondContact CA-OG1 3.42Å
101	V	93.6	Very high	91.3	Very high	9 Å²	9	58 Å²	58	6%	0.055	28%	0.279	C	S	.	.	H	α-helix	trans	-64.4	-49.1	174.9	179.1	0	0	0	0	109.8	V79 Q82 F97 L98 K103 T104 Y105 T142	V79-V101 HydrophobicContact CG1-CG1 4.13Å; Q82-V101 HydrophobicContact CB-CG1 3.94Å; F97-V101 HydrophobicContact CD1-CG2 3.85Å; F97-V101 HydrophobicContact CE1-CG2 3.62Å; F97-V101 PolarHBondContact O-N 3.41Å; L98-V101 PolarHBondContact O-N 3.33Å; V101-K103 VanDerWaalsContact C-N 3.33Å; V101-K103 PolarHBondContact O-N 3.39Å; V101-T104 WeakPolarHBondContact O-CA 3.39Å; V101-T104 WeakPolarHBondContact O-CB 3.46Å; V101-T104 PolarHBondContact O-N 3.36Å; V101-Y105 PolarHBondContact O-N 2.89Å; V101-T142 HydrophobicContact CG2-CG2 4.03Å
102	M	94.5	Very high	90.3	Very high	5 Å²	5	59.1 Å²	59.1	3%	0.025	29%	0.293	C	S	.	.	H	α-helix	trans	-51.6	-48.5	172.7	-81.8	-172.8	-109	0	0	113.2	A64 A67 L68 F71 V79 L98 T104 Y105 R106	A64-M102 HydrophobicContact CB-CE 4.28Å; A64-M102 WeakPolarHBondContact O-CE 3.49Å; A67-M102 HydrophobicContact CB-CE 4.07Å; A67-M102 HydrophobicContact CB-SD 3.52Å; A67-M102 VanDerWaalsContact CB-SD 3.52Å; L68-M102 HydrophobicContact CD2-CE 3.94Å; L68-M102 HydrophobicContact CD2-CG 4.25Å; L68-M102 HydrophobicContact CD2-SD 3.91Å; L68-M102 HydrophobicContact CG-CE 3.72Å; L68-M102 HydrophobicContact CG-SD 3.99Å; F71-M102 HydrophobicContact CD2-CG 4.5Å; F71-M102 HydrophobicContact CD2-SD 4.3Å; F71-M102 HydrophobicContact CE2-CB 3.78Å; F71-M102 HydrophobicContact CE2-CG 3.48Å; F71-M102 VanDerWaalsContact CE2-CG 3.48Å; F71-M102 HydrophobicContact CE2-SD 3.53Å; F71-M102 VanDerWaalsContact CE2-SD 3.53Å; F71-M102 HydrophobicContact CZ-CB 3.55Å; F71-M102 HydrophobicContact CZ-CG 3.55Å; F71-M102 HydrophobicContact CZ-SD 4.23Å; V79-M102 HydrophobicContact CB-CG 4.49Å; V79-M102 HydrophobicContact CG1-CG 3.57Å; V79-M102 HydrophobicContact CG2-CG 4.21Å; L98-M102 HydrophobicContact CD1-CE 4.04Å; L98-M102 HydrophobicContact CD2-CE 4.3Å; L98-M102 HydrophobicContact CG-CE 3.6Å; L98-M102 PolarHBondContact O-N 3.32Å; M102-T104 VanDerWaalsContact C-N 3.28Å; M102-T104 PolarHBondContact O-N 3.25Å; M102-Y105 PolarHBondContact O-N 2.62Å; M102-R106 WeakPolarHBondContact O-CB 3.18Å; M102-R106 WeakPolarHBondContact O-CG 3.23Å; M102-R106 PolarHBondContact O-N 3.35Å
103	K	92.2	Very high	88.9	Confident	144 Å²	144	57.1 Å²	57.1	63%	0.626	29%	0.294	S	S	*	.	H	α-helix	trans	-63.8	-35.6	178.7	179.9	-169.4	166.7	-151	0	111.9	C99 G100 V101 Q107	C99-K103 VanDerWaalsContact O-CB 3.24Å; C99-K103 WeakPolarHBondContact O-CB 3.24Å; C99-K103 PolarHBondContact O-N 2.99Å; G100-K103 PolarHBondContact O-N 3.44Å; V101-K103 VanDerWaalsContact C-N 3.33Å; V101-K103 PolarHBondContact O-N 3.39Å; K103-Q107 PolarHBondContact O-N 2.94Å
104	T	90.7	Very high	87.1	Confident	10 Å²	10	60 Å²	60	6%	0.061	30%	0.302	C	S	.	.	H	α-helix	trans	-68.4	-47.8	177.3	-58.4	0	0	0	0	110.9	G100 V101 M102 R106 Q107 R108 P200 L201	G100-T104 WeakPolarHBondContact O-CB 3.41Å; G100-T104 PolarHBondContact O-N 2.89Å; G100-T104 PolarHBondContact O-OG1 3.17Å; V101-T104 WeakPolarHBondContact O-CA 3.39Å; V101-T104 WeakPolarHBondContact O-CB 3.46Å; V101-T104 PolarHBondContact O-N 3.36Å; M102-T104 VanDerWaalsContact C-N 3.28Å; M102-T104 PolarHBondContact O-N 3.25Å; T104-R106 PolarHBondContact O-N 3.01Å; T104-Q107 CarbonylContact O-C 3.5Å; T104-Q107 WeakPolarHBondContact O-CA 3.15Å; T104-Q107 WeakPolarHBondContact O-CB 3.48Å; T104-Q107 PolarHBondContact O-N 2.88Å; T104-R108 PolarHBondContact O-N 3.04Å; T104-P200 HydrophobicContact CG2-CB 4.11Å; T104-P200 WeakPolarHBondContact CG2-O 3.45Å; T104-P200 WeakPolarHBondContact OG1-CB 3.3Å; T104-L201 HydrophobicContact CG2-CD2 4.17Å
105	Y	91.5	Very high	85.2	Confident	29 Å²	29	60.8 Å²	60.8	11%	0.114	31%	0.311	C	S	.	.	H	α-helix	trans	-55	-53.7	173.1	-175.7	-82.2	0	0	0	111	F71 G75 V79 V101 M102 Q107 R108 E109	F71-Y105 HydrophobicContact CD1-CD1 4.24Å; F71-Y105 HydrophobicContact CD1-CE1 4.41Å; F71-Y105 AromaticContact CE1-CD1 3.64Å; F71-Y105 HydrophobicContact CE1-CD1 3.64Å; F71-Y105 HydrophobicContact CE1-CE1 4.25Å; F71-Y105 HydrophobicContact CE1-CG 4.29Å; G75-Y105 WeakPolarHBondContact CA-OH 3.45Å; V79-Y105 HydrophobicContact CG2-CD1 4.45Å; V79-Y105 HydrophobicContact CG2-CD2 4.17Å; V79-Y105 HydrophobicContact CG2-CG 3.83Å; V101-Y105 PolarHBondContact O-N 2.89Å; M102-Y105 PolarHBondContact O-N 2.62Å; Y105-Q107 PolarHBondContact O-N 3.46Å; Y105-R108 PolarHBondContact O-N 3.11Å; Y105-E109 HydrophobicContact CD1-CG 3.7Å; Y105-E109 HydrophobicContact CE1-CG 3.39Å; Y105-E109 HydrophobicContact CG-CG 4.5Å; Y105-E109 WeakPolarHBondContact O-CG 3.42Å; Y105-E109 PolarHBondContact O-N 2.95Å
106	R	91.2	Very high	83.2	Confident	82 Å²	82	69.2 Å²	69.2	31%	0.309	35%	0.35	S	S	.	.	H	α-helix	trans	-62.4	-5.3	176.2	-68.8	-176.5	-173.1	-171.9	13.9	115.1	A67 E70 F71 M102 T104 K110	A67-R106 PolarHBondContact O-NH2 2.77Å; E70-R106 IonicContact OE2-CZ 3.94Å; E70-R106 VanDerWaalsContact OE2-CZ 3.22Å; E70-R106 IonicContact OE2-NH1 3.31Å; E70-R106 PolarHBondContact OE2-NH1 3.12Å; E70-R106 IonicContact OE2-NH2 3.17Å; E70-R106 PolarHBondContact OE2-NH2 3.43Å; F71-R106 HydrophobicContact CE1-CG 3.78Å; F71-R106 HydrophobicContact CE2-CG 4.45Å; F71-R106 HydrophobicContact CZ-CG 3.6Å; M102-R106 WeakPolarHBondContact O-CB 3.18Å; M102-R106 WeakPolarHBondContact O-CG 3.23Å; M102-R106 PolarHBondContact O-N 3.35Å; T104-R106 PolarHBondContact O-N 3.01Å; R106-K110 VanDerWaalsContact O-CD 3.3Å; R106-K110 WeakPolarHBondContact O-CD 3.26Å; R106-K110 VanDerWaalsContact O-CE 3.31Å; R106-K110 WeakPolarHBondContact O-CE 3.5Å; R106-K110 PolarHBondContact O-NZ 2.85Å; R106-K110 VanDerWaalsContact O-NZ 3.09Å
107	Q	88.3	Confident	81.5	Confident	78 Å²	78	75.5 Å²	75.5	36%	0.364	37%	0.37	S	S	.	.	H	α-helix	trans	-101.3	-43.6	170.5	-177.3	173.1	-28.9	0	0	111.5	K103 T104 Y105 E109 K110 Q111 L201	K103-Q107 PolarHBondContact O-N 2.94Å; T104-Q107 CarbonylContact O-C 3.5Å; T104-Q107 WeakPolarHBondContact O-CA 3.15Å; T104-Q107 WeakPolarHBondContact O-CB 3.48Å; T104-Q107 PolarHBondContact O-N 2.88Å; Y105-Q107 PolarHBondContact O-N 3.46Å; Q107-E109 VanDerWaalsContact C-N 3.35Å; Q107-E109 PolarHBondContact O-N 2.97Å; Q107-K110 PolarHBondContact O-N 3.33Å; Q107-Q111 PolarHBondContact O-N 3.43Å; Q107-L201 HydrophobicContact CB-CD2 4.41Å; Q107-L201 HydrophobicContact CG-CD2 4.23Å
108	R	87.9	Confident	79.6	Confident	69 Å²	69	78.8 Å²	78.8	26%	0.26	40%	0.395	S	S	.	.	H	α-helix	trans	-57.1	-46.8	175.3	-171.2	179	-74.7	169.9	-3	111.2	T104 Y105 K110 Q111 L201	T104-R108 PolarHBondContact O-N 3.04Å; Y105-R108 PolarHBondContact O-N 3.11Å; R108-K110 PolarHBondContact O-N 2.71Å; R108-Q111 PolarHBondContact O-N 3.21Å; R108-L201 HydrophobicContact CB-CD2 4.15Å; R108-L201 PolarHBondContact NH2-O 2.66Å
109	E	86.6	Confident	77.8	Confident	108 Å²	108	83.3 Å²	83.3	51%	0.505	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-26.7	173	-71.7	-63.5	101.6	0	0	114.4	Y105 Q107	Y105-E109 HydrophobicContact CD1-CG 3.7Å; Y105-E109 HydrophobicContact CE1-CG 3.39Å; Y105-E109 HydrophobicContact CG-CG 4.5Å; Y105-E109 WeakPolarHBondContact O-CG 3.42Å; Y105-E109 PolarHBondContact O-N 2.95Å; Q107-E109 VanDerWaalsContact C-N 3.35Å; Q107-E109 PolarHBondContact O-N 2.97Å
110	K	87	Confident	76.6	Confident	167 Å²	167	90.7 Å²	90.7	73%	0.726	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	-1.2	-175.8	-66.3	176.6	-174	147.1	0	114.1	R106 Q107 R108	R106-K110 VanDerWaalsContact O-CD 3.3Å; R106-K110 WeakPolarHBondContact O-CD 3.26Å; R106-K110 VanDerWaalsContact O-CE 3.31Å; R106-K110 WeakPolarHBondContact O-CE 3.5Å; R106-K110 PolarHBondContact O-NZ 2.85Å; R106-K110 VanDerWaalsContact O-NZ 3.09Å; Q107-K110 PolarHBondContact O-N 3.33Å; R108-K110 PolarHBondContact O-N 2.71Å
111	Q	79.4	Confident	75.9	Confident	113 Å²	113	92.7 Å²	92.7	53%	0.528	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-7.9	-177.6	-69.5	-176.8	-49.8	0	0	112.8	Q107 R108	Q107-Q111 PolarHBondContact O-N 3.43Å; R108-Q111 PolarHBondContact O-N 3.21Å
112	G	72.1	Confident	75.5	Confident	35 Å²	35	93.5 Å²	93.5	36%	0.361	48%	0.475	S	S	.	.			trans	76.3	133.2	-170.2	0	0	0	0	0	110.9	K114	G112-K114 PolarHBondContact O-N 2.95Å
113	S	62.5	Low	75.3	Confident	92 Å²	92	96.9 Å²	96.9	64%	0.643	49%	0.493	S	S	*	.	S	Bend	trans	-71	89.3	-172.6	-66.2	0	0	0	0	112.3
114	K	54.5	Low	75	Confident	148 Å²	148	96.9 Å²	96.9	64%	0.643	50%	0.496	S	S	*	.			trans	-133.3	26.1	176.9	-127.4	178.8	-170.7	174.4	0	113.6	G112 Y493	G112-K114 PolarHBondContact O-N 2.95Å; K114-Y493 HydrophobicContact CD-CE1 4.07Å; K114-Y493 HydrophobicContact CD-CE2 3.86Å; K114-Y493 WeakPolarHBondContact CD-OH 3.43Å; K114-Y493 VanDerWaalsContact CE-CE2 3.43Å
115	V	53.7	Low	75.1	Confident	62 Å²	62	99.8 Å²	99.8	38%	0.376	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-89.9	120	171.4	-177	0	0	0	0	108.2
116	Q	53.5	Low	75.2	Confident	180 Å²	180	102.8 Å²	102.8	84%	0.841	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-61.1	143.5	169.6	-75.3	178.6	-27.2	0	0	110
117	E	56.4	Low	75.3	Confident	189 Å²	189	99 Å²	99	88%	0.883	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-55.9	138.6	177	-168.3	164.8	-157.7	0	0	110.7	T119	E117-T119 PolarHBondContact O-N 3.47Å
118	S	54.7	Low	75.5	Confident	85 Å²	85	101.2 Å²	101.2	59%	0.594	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-63.8	120.8	-163.5	46.9	0	0	0	0	111.6
119	T	57.1	Low	75.8	Confident	94 Å²	94	100.6 Å²	100.6	58%	0.577	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-56.7	149.1	165.4	18.5	0	0	0	0	110	E117 G121 Q204	E117-T119 PolarHBondContact O-N 3.47Å; T119-G121 PolarHBondContact O-N 3Å; T119-Q204 PolarHBondContact OG1-NE2 2.66Å
120	K	67.9	Low	76.2	Confident	197 Å²	197	95.8 Å²	95.8	86%	0.857	52%	0.516	S	S	*	.			trans	-42.8	132.5	-172.7	-60.5	-176.9	-179.1	-176.7	0	112.1
121	G	77.7	Confident	76.6	Confident	50 Å²	50	88.9 Å²	88.9	52%	0.515	49%	0.487	S	S	.	.			trans	-65	-172.6	172.2	0	0	0	0	0	112.8	T119	T119-G121 PolarHBondContact O-N 3Å
122	P	86.4	Confident	77.3	Confident	26 Å²	26	89.2 Å²	89.2	17%	0.169	49%	0.488	C	S	.	.			trans	-59	150	175.1	22.2	-28.5	0	0	0	111.7	E124 I127 R145 Y177	P122-E124 PolarHBondContact O-N 2.78Å; P122-I127 HydrophobicContact CB-CD1 4.07Å; P122-I127 HydrophobicContact CB-CG1 3.89Å; P122-R145 VanDerWaalsContact CG-CZ 3.49Å; P122-Y177 HydrophobicContact CB-CD1 3.84Å; P122-Y177 HydrophobicContact CB-CD2 3.88Å; P122-Y177 HydrophobicContact CB-CE1 4.27Å; P122-Y177 HydrophobicContact CB-CE2 4.31Å; P122-Y177 HydrophobicContact CB-CG 3.63Å; P122-Y177 HydrophobicContact CG-CD1 4Å; P122-Y177 HydrophobicContact CG-CE1 4.14Å; P122-Y177 HydrophobicContact CG-CG 4.31Å
123	D	89.2	Confident	78.4	Confident	76 Å²	76	90.3 Å²	90.3	41%	0.406	48%	0.481	S	S	.	.			trans	-69.5	100.9	176.6	-179.3	-25.6	0	0	0	110.1	A125 K126 I127	D123-A125 PolarHBondContact O-N 2.79Å; D123-A125 VanDerWaalsContact O-N 3.14Å; D123-A125 WeakPolarHBondContact OD1-CB 3.41Å; D123-A125 PolarHBondContact OD1-N 2.98Å; D123-A125 VanDerWaalsContact OD1-N 3.1Å; D123-K126 HydrophobicContact CB-CB 4.17Å; D123-K126 HydrophobicContact CB-CD 3.85Å; D123-K126 HydrophobicContact CB-CG 3.99Å; D123-K126 WeakPolarHBondContact O-CB 3.41Å; D123-K126 PolarHBondContact O-N 2.96Å; D123-K126 PolarHBondContact OD1-N 2.78Å; D123-K126 VanDerWaalsContact OD2-CE 3.29Å; D123-K126 WeakPolarHBondContact OD2-CE 3.34Å; D123-K126 WeakPolarHBondContact OD2-CG 3.43Å; D123-I127 WeakPolarHBondContact O-CG1 3.5Å; D123-I127 PolarHBondContact O-N 3.36Å
124	E	87.2	Confident	79.9	Confident	144 Å²	144	87 Å²	87	67%	0.673	46%	0.457	S	S	*	.	H	α-helix	trans	-51.9	-35.3	-178.3	-67.5	174.8	-160.5	0	0	113.1	P122 I127 K128	P122-E124 PolarHBondContact O-N 2.78Å; E124-I127 PolarHBondContact O-N 2.89Å; E124-K128 WeakPolarHBondContact O-CB 3.48Å; E124-K128 PolarHBondContact O-N 2.92Å
125	A	92.2	Very high	81.7	Confident	71 Å²	71	82.5 Å²	82.5	59%	0.587	45%	0.453	S	S	*	.	H	α-helix	trans	-69.8	-39.1	179.6	0	0	0	0	0	111.3	D123 A129	D123-A125 PolarHBondContact O-N 2.79Å; D123-A125 VanDerWaalsContact O-N 3.14Å; D123-A125 WeakPolarHBondContact OD1-CB 3.41Å; D123-A125 PolarHBondContact OD1-N 2.98Å; D123-A125 VanDerWaalsContact OD1-N 3.1Å; A125-A129 VanDerWaalsContact O-CB 3.26Å; A125-A129 WeakPolarHBondContact O-CB 3.18Å; A125-A129 PolarHBondContact O-N 3.1Å
126	K	93.9	Very high	83.7	Confident	92 Å²	92	80.5 Å²	80.5	40%	0.4	44%	0.439	S	S	.	.	H	α-helix	trans	-70.2	-39.9	172	-64	179.5	-165.3	166.8	0	112.7	D123 A129 L130 D179	D123-K126 HydrophobicContact CB-CB 4.17Å; D123-K126 HydrophobicContact CB-CD 3.85Å; D123-K126 HydrophobicContact CB-CG 3.99Å; D123-K126 WeakPolarHBondContact O-CB 3.41Å; D123-K126 PolarHBondContact O-N 2.96Å; D123-K126 PolarHBondContact OD1-N 2.78Å; D123-K126 VanDerWaalsContact OD2-CE 3.29Å; D123-K126 WeakPolarHBondContact OD2-CE 3.34Å; D123-K126 WeakPolarHBondContact OD2-CG 3.43Å; K126-A129 PolarHBondContact O-N 2.82Å; K126-L130 WeakPolarHBondContact O-CB 3.47Å; K126-L130 PolarHBondContact O-N 3.47Å; K126-D179 HydrophobicContact CB-CB 3.9Å; K126-D179 HydrophobicContact CD-CB 4.17Å; K126-D179 WeakPolarHBondContact CD-OD2 3.35Å; K126-D179 IonicContact NZ-OD2 3.38Å; K126-D179 PolarHBondContact NZ-OD2 3.47Å
127	I	93.1	Very high	85.6	Confident	3 Å²	3	75.3 Å²	75.3	2%	0.015	42%	0.42	C	S	.	.	H	α-helix	trans	-60.6	-49	176.4	-65.3	-62.7	0	0	0	109.7	P122 D123 E124 A129 L130 L131 L138 E178 D179	P122-I127 HydrophobicContact CB-CD1 4.07Å; P122-I127 HydrophobicContact CB-CG1 3.89Å; D123-I127 WeakPolarHBondContact O-CG1 3.5Å; D123-I127 PolarHBondContact O-N 3.36Å; E124-I127 PolarHBondContact O-N 2.89Å; I127-A129 PolarHBondContact O-N 2.97Å; I127-L130 WeakPolarHBondContact O-CB 3.45Å; I127-L130 PolarHBondContact O-N 3.02Å; I127-L131 HydrophobicContact CG2-CD1 3.91Å; I127-L131 VanDerWaalsContact O-CG 3.31Å; I127-L131 WeakPolarHBondContact O-CG 3.32Å; I127-L131 PolarHBondContact O-N 2.99Å; I127-L138 HydrophobicContact CG2-CD2 3.6Å; I127-E178 HydrophobicContact CD1-CG 3.61Å; I127-E178 WeakPolarHBondContact CD1-OE1 3.5Å; I127-D179 HydrophobicContact CD1-CB 4.16Å
128	K	92.9	Very high	87.5	Confident	125 Å²	125	66.8 Å²	66.8	54%	0.543	38%	0.38	S	S	.	.	H	α-helix	trans	-57.9	-48.6	174.5	-179	171.4	175.8	174.8	0	111.9	E124 L130 L131 E132	E124-K128 WeakPolarHBondContact O-CB 3.48Å; E124-K128 PolarHBondContact O-N 2.92Å; K128-L130 VanDerWaalsContact C-N 3.28Å; K128-L130 PolarHBondContact O-N 2.78Å; K128-L131 PolarHBondContact O-N 2.9Å; K128-E132 WeakPolarHBondContact CE-OE1 3.2Å; K128-E132 HydrophobicContact CG-CG 4.34Å; K128-E132 WeakPolarHBondContact CG-OE1 3.49Å; K128-E132 IonicContact NZ-OE1 3.46Å; K128-E132 WeakPolarHBondContact O-CB 3.48Å; K128-E132 WeakPolarHBondContact O-CG 3.5Å; K128-E132 PolarHBondContact O-N 3.14Å
129	A	94.9	Very high	89.4	Confident	55 Å²	55	64.3 Å²	64.3	46%	0.455	36%	0.36	S	S	.	.	H	α-helix	trans	-63.8	-29.9	177.4	0	0	0	0	0	113.3	A125 K126 I127 R133	A125-A129 VanDerWaalsContact O-CB 3.26Å; A125-A129 WeakPolarHBondContact O-CB 3.18Å; A125-A129 PolarHBondContact O-N 3.1Å; K126-A129 PolarHBondContact O-N 2.82Å; I127-A129 PolarHBondContact O-N 2.97Å; A129-R133 WeakPolarHBondContact O-CB 3.49Å; A129-R133 PolarHBondContact O-N 3.49Å; A129-R133 VanDerWaalsContact O-N 3.16Å
130	L	94.8	Very high	91.1	Very high	7 Å²	7	60.4 Å²	60.4	4%	0.037	34%	0.336	C	S	.	.	H	α-helix	trans	-66	-52.3	171.5	173.4	64.9	0	0	0	110.6	K126 I127 K128 R133 T134 Y147 E178 V182	K126-L130 WeakPolarHBondContact O-CB 3.47Å; K126-L130 PolarHBondContact O-N 3.47Å; I127-L130 WeakPolarHBondContact O-CB 3.45Å; I127-L130 PolarHBondContact O-N 3.02Å; K128-L130 VanDerWaalsContact C-N 3.28Å; K128-L130 PolarHBondContact O-N 2.78Å; L130-R133 WeakPolarHBondContact O-CB 3.37Å; L130-R133 PolarHBondContact O-N 2.88Å; L130-T134 HydrophobicContact CD1-CG2 3.93Å; L130-T134 WeakPolarHBondContact O-CG2 3.36Å; L130-T134 PolarHBondContact O-N 3.47Å; L130-T134 PolarHBondContact O-OG1 2.84Å; L130-T134 VanDerWaalsContact O-OG1 3.08Å; L130-Y147 HydrophobicContact CD1-CE2 4.48Å; L130-Y147 HydrophobicContact CD2-CD2 4.12Å; L130-Y147 HydrophobicContact CD2-CE2 3.79Å; L130-Y147 HydrophobicContact CG-CE2 3.96Å; L130-E178 HydrophobicContact CD2-CB 4.39Å; L130-E178 HydrophobicContact CD2-CG 4.27Å; L130-E178 WeakPolarHBondContact CD2-O 2.98Å; L130-V182 HydrophobicContact CD1-CB 4.15Å; L130-V182 HydrophobicContact CD1-CG1 3.98Å; L130-V182 HydrophobicContact CD2-CB 4.13Å; L130-V182 HydrophobicContact CD2-CG2 4.18Å
131	L	94.4	Very high	92.3	Very high	23 Å²	23	53.5 Å²	53.5	12%	0.12	31%	0.311	C	S	.	.	H	α-helix	trans	-67.3	-41.1	-175.8	-60.4	169.6	0	0	0	111.7	H90 I127 K128 R133 T134 G135 Y136 L138 Y147	H90-L131 WeakPolarHBondContact CE1-CD1 3.24Å; I127-L131 HydrophobicContact CG2-CD1 3.91Å; I127-L131 VanDerWaalsContact O-CG 3.31Å; I127-L131 WeakPolarHBondContact O-CG 3.32Å; I127-L131 PolarHBondContact O-N 2.99Å; K128-L131 PolarHBondContact O-N 2.9Å; L131-R133 VanDerWaalsContact C-N 3.3Å; L131-R133 PolarHBondContact O-N 3.14Å; L131-T134 PolarHBondContact O-N 2.88Å; L131-G135 WeakPolarHBondContact O-CA 3.49Å; L131-G135 PolarHBondContact O-N 3.19Å; L131-Y136 VanDerWaalsContact CD2-O 3.29Å; L131-Y136 WeakPolarHBondContact CD2-O 3.35Å; L131-L138 HydrophobicContact CD1-CB 3.87Å; L131-L138 HydrophobicContact CD1-CD2 4.09Å; L131-L138 HydrophobicContact CD2-CB 3.92Å; L131-Y147 HydrophobicContact CD2-CD2 3.88Å; L131-Y147 HydrophobicContact CD2-CE2 3.89Å
132	E	94.5	Very high	92.8	Very high	119 Å²	119	52.9 Å²	52.9	56%	0.556	30%	0.297	S	S	*	.	H	α-helix	trans	-62.8	-34.7	172.6	-72.5	178.8	-179.6	0	0	112.6	K128	K128-E132 WeakPolarHBondContact CE-OE1 3.2Å; K128-E132 HydrophobicContact CG-CG 4.34Å; K128-E132 WeakPolarHBondContact CG-OE1 3.49Å; K128-E132 IonicContact NZ-OE1 3.46Å; K128-E132 WeakPolarHBondContact O-CB 3.48Å; K128-E132 WeakPolarHBondContact O-CG 3.5Å; K128-E132 PolarHBondContact O-N 3.14Å
133	R	94.9	Very high	93.1	Very high	58 Å²	58	52.6 Å²	52.6	22%	0.219	30%	0.299	C	S	.	.	H	α-helix	trans	-72.8	-36.9	178.2	175.2	-170.8	74.2	99.9	-9.6	113	A129 L130 L131 E186 R546	A129-R133 WeakPolarHBondContact O-CB 3.49Å; A129-R133 PolarHBondContact O-N 3.49Å; A129-R133 VanDerWaalsContact O-N 3.16Å; L130-R133 WeakPolarHBondContact O-CB 3.37Å; L130-R133 PolarHBondContact O-N 2.88Å; L131-R133 VanDerWaalsContact C-N 3.3Å; L131-R133 PolarHBondContact O-N 3.14Å; R133-E186 IonicContact CZ-OE1 2.78Å; R133-E186 IonicContact CZ-OE2 2.92Å; R133-E186 VanDerWaalsContact NH1-CD 3.34Å; R133-E186 IonicContact NH1-OE1 3.97Å; R133-E186 PolarHBondContact NH1-OE1 2.82Å; R133-E186 IonicContact NH1-OE2 3.52Å; R133-E186 PolarHBondContact NH1-OE2 3.3Å; R133-E186 IonicContact NH2-OE1 3.27Å; R133-E186 PolarHBondContact NH2-OE1 3.01Å; R133-E186 IonicContact NH2-OE2 3.48Å; R133-E186 PolarHBondContact NH2-OE2 3.42Å; R133-R546 HydrophobicContact CG-CG 4.3Å
134	T	93.7	Very high	93.3	Very high	22 Å²	22	52 Å²	52	14%	0.135	29%	0.293	C	S	.	.	H	α-helix	trans	-105.5	-22.3	-170	65.8	0	0	0	0	113.7	L130 L131 Y136 Y147	L130-T134 HydrophobicContact CD1-CG2 3.93Å; L130-T134 WeakPolarHBondContact O-CG2 3.36Å; L130-T134 PolarHBondContact O-N 3.47Å; L130-T134 PolarHBondContact O-OG1 2.84Å; L130-T134 VanDerWaalsContact O-OG1 3.08Å; L131-T134 PolarHBondContact O-N 2.88Å; T134-Y136 VanDerWaalsContact C-N 3.25Å; T134-Y136 WeakPolarHBondContact O-CD2 3.49Å; T134-Y136 PolarHBondContact O-N 2.92Å; T134-Y136 WeakPolarHBondContact OG1-CD2 3.16Å; T134-Y136 PolarHBondContact OG1-N 3.46Å; T134-Y147 VanDerWaalsContact CB-OH 3.28Å; T134-Y147 WeakPolarHBondContact CB-OH 3.4Å; T134-Y147 WeakPolarHBondContact CG2-OH 3.48Å; T134-Y147 PolarHBondContact OG1-OH 3.39Å
135	G	93	Very high	93.7	Very high	54 Å²	54	46 Å²	46	56%	0.557	27%	0.265	S	S	*	.			trans	77.4	3.5	-175	0	0	0	0	0	114.7	L131 P152	L131-G135 WeakPolarHBondContact O-CA 3.49Å; L131-G135 PolarHBondContact O-N 3.19Å; G135-P152 VanDerWaalsContact C-CG 3.47Å; G135-P152 WeakPolarHBondContact O-CG 3.5Å
136	Y	95	Very high	93.9	Very high	21 Å²	21	45 Å²	45	8%	0.082	25%	0.247	C	C	.	.			trans	-72.7	153.5	-178.3	-79.1	-121.1	0	0	0	111.5	L131 T134 Y147 P151 P152 V155 I191	L131-Y136 VanDerWaalsContact CD2-O 3.29Å; L131-Y136 WeakPolarHBondContact CD2-O 3.35Å; T134-Y136 VanDerWaalsContact C-N 3.25Å; T134-Y136 WeakPolarHBondContact O-CD2 3.49Å; T134-Y136 PolarHBondContact O-N 2.92Å; T134-Y136 WeakPolarHBondContact OG1-CD2 3.16Å; T134-Y136 PolarHBondContact OG1-N 3.46Å; Y136-Y147 VanDerWaalsContact CB-CZ 3.45Å; Y136-Y147 AromaticContact CD1-CD1 3.74Å; Y136-Y147 HydrophobicContact CD1-CD1 3.74Å; Y136-Y147 AromaticContact CD1-CE1 3.14Å; Y136-Y147 HydrophobicContact CD1-CE1 3.14Å; Y136-Y147 HydrophobicContact CD1-CE2 4.28Å; Y136-Y147 AromaticContact CD1-CZ 3.45Å; Y136-Y147 VanDerWaalsContact CD1-CZ 3.45Å; Y136-Y147 HydrophobicContact CD2-CE1 4.28Å; Y136-Y147 AromaticContact CD2-CZ 3.85Å; Y136-Y147 WeakPolarHBondContact CD2-OH 3.4Å; Y136-Y147 HydrophobicContact CE1-CD1 4.26Å; Y136-Y147 AromaticContact CE1-CE1 3.52Å; Y136-Y147 HydrophobicContact CE1-CE1 3.52Å; Y136-Y147 HydrophobicContact CG-CD1 4.39Å; Y136-Y147 AromaticContact CG-CE1 3.58Å; Y136-Y147 HydrophobicContact CG-CE1 3.58Å; Y136-Y147 AromaticContact CG-CE2 3.97Å; Y136-Y147 HydrophobicContact CG-CE2 3.97Å; Y136-Y147 AromaticContact CG-CZ 3.31Å; Y136-P151 HydrophobicContact CD1-CB 4.44Å; Y136-P151 HydrophobicContact CE1-CB 3.6Å; Y136-P151 HydrophobicContact CE2-CB 4.42Å; Y136-P151 WeakPolarHBondContact OH-CB 3.33Å; Y136-P152 HydrophobicContact CD2-CG 3.74Å; Y136-P152 HydrophobicContact CE2-CG 4.1Å; Y136-P152 HydrophobicContact CG-CG 4.29Å; Y136-V155 HydrophobicContact CE2-CG2 4.2Å; Y136-I191 WeakPolarHBondContact CE1-O 3.07Å; Y136-I191 PolarHBondContact OH-O 3.4Å
137	T	94.5	Very high	94	Very high	71 Å²	71	40.8 Å²	40.8	44%	0.436	23%	0.229	S	C	.	.			trans	-80.4	159.1	167.4	52.6	0	0	0	0	111.2	Y147 G148	T137-Y147 WeakPolarHBondContact O-CA 3.37Å; T137-G148 PolarHBondContact O-N 3.01Å
138	L	95.1	Very high	94.1	Very high	9 Å²	9	40.7 Å²	40.7	5%	0.047	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	128.3	167.4	179.9	59.3	0	0	0	108.1	H90 I127 L131 V140 R145 K146 E178	H90-L138 HydrophobicContact CB-CB 4.44Å; H90-L138 HydrophobicContact CB-CD2 4.25Å; H90-L138 HydrophobicContact CB-CG 4.11Å; I127-L138 HydrophobicContact CG2-CD2 3.6Å; L131-L138 HydrophobicContact CD1-CB 3.87Å; L131-L138 HydrophobicContact CD1-CD2 4.09Å; L131-L138 HydrophobicContact CD2-CB 3.92Å; L138-V140 HydrophobicContact CD1-CG2 4.49Å; L138-V140 HydrophobicContact CD2-CG2 4.41Å; L138-V140 HydrophobicContact CG-CG2 4.1Å; L138-R145 HydrophobicContact CD1-CB 4.48Å; L138-K146 WeakPolarHBondContact CA-O 3.39Å; L138-E178 WeakPolarHBondContact CD2-OE1 3.44Å
139	D	94.8	Very high	93.7	Very high	33 Å²	33	35.6 Å²	35.6	18%	0.176	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	120.8	172.8	-178.1	37.2	0	0	0	109.5	H90 Q92 K146	H90-D139 CarbonylContact O-C 3.51Å; H90-D139 VanDerWaalsContact O-CA 3.32Å; H90-D139 WeakPolarHBondContact O-CA 3.33Å; Q92-D139 VanDerWaalsContact CB-OD1 3.3Å; Q92-D139 WeakPolarHBondContact CB-OD1 3.08Å; Q92-D139 HydrophobicContact CG-CB 4.04Å; Q92-D139 WeakPolarHBondContact CG-OD1 3.31Å; Q92-D139 PolarHBondContact N-OD1 2.75Å; Q92-D139 VanDerWaalsContact N-OD1 3.16Å; D139-K146 HydrophobicContact CB-CB 4.41Å; D139-K146 PolarHBondContact N-O 3.46Å; D139-K146 PolarHBondContact O-N 2.81Å
140	V	93.7	Very high	93.5	Very high	13 Å²	13	36.8 Å²	36.8	8%	0.079	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	128.9	-178	177.9	0	0	0	0	109.5	H90 V91 F97 L138 R145	H90-V140 HydrophobicContact CB-CB 4.22Å; H90-V140 HydrophobicContact CB-CG2 3.58Å; H90-V140 PolarHBondContact O-N 2.82Å; V91-V140 HydrophobicContact CG2-CB 4.2Å; V91-V140 HydrophobicContact CG2-CG1 4.49Å; V91-V140 WeakPolarHBondContact CG2-O 3.4Å; F97-V140 HydrophobicContact CE2-CG1 4.35Å; L138-V140 HydrophobicContact CD1-CG2 4.49Å; L138-V140 HydrophobicContact CD2-CG2 4.41Å; L138-V140 HydrophobicContact CG-CG2 4.1Å; V140-R145 HydrophobicContact CG1-CG 4.45Å; V140-R145 HydrophobicContact CG2-CG 4.29Å
141	T	91.8	Very high	93.3	Very high	52 Å²	52	37 Å²	37	32%	0.319	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	159.4	173.5	69.4	0	0	0	0	108.9	G143 Q144	T141-G143 PolarHBondContact O-N 2.79Å; T141-Q144 PolarHBondContact N-O 2.93Å; T141-Q144 PolarHBondContact O-N 2.69Å; T141-Q144 VanDerWaalsContact O-O 3.04Å; T141-Q144 PolarHBondContact OG1-N 3.12Å; T141-Q144 VanDerWaalsContact OG1-N 3.11Å; T141-Q144 PolarHBondContact OG1-O 3.08Å
142	T	89.6	Confident	93.2	Very high	36 Å²	36	37.1 Å²	37.1	22%	0.221	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-9.2	-178.1	65.3	0	0	0	0	114.8	F97 G100 V101 P200	F97-T142 HydrophobicContact CD1-CG2 4.22Å; F97-T142 HydrophobicContact CD2-CG2 4.09Å; F97-T142 HydrophobicContact CE1-CG2 4.09Å; F97-T142 HydrophobicContact CE2-CG2 3.95Å; F97-T142 HydrophobicContact CG-CG2 4.21Å; F97-T142 HydrophobicContact CZ-CG2 3.96Å; G100-T142 WeakPolarHBondContact CA-OG1 3.42Å; V101-T142 HydrophobicContact CG2-CG2 4.03Å; T142-P200 WeakPolarHBondContact O-CA 3.31Å; T142-P200 WeakPolarHBondContact O-CB 3.24Å; T142-P200 VanDerWaalsContact O-CG 3.29Å; T142-P200 WeakPolarHBondContact O-CG 3.39Å
143	G	91.6	Very high	93	Very high	20 Å²	20	37.4 Å²	37.4	21%	0.206	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.1	-3.5	175.5	0	0	0	0	0	116.1	T141 M198	T141-G143 PolarHBondContact O-N 2.79Å; G143-M198 PolarHBondContact O-N 3.5Å
144	Q	94.2	Very high	92.7	Very high	64 Å²	64	40 Å²	40	30%	0.299	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	140.6	-176.9	-63.8	-174.1	-33	0	0	111.6	T141 L196 M197	T141-Q144 PolarHBondContact N-O 2.93Å; T141-Q144 PolarHBondContact O-N 2.69Å; T141-Q144 VanDerWaalsContact O-O 3.04Å; T141-Q144 PolarHBondContact OG1-N 3.12Å; T141-Q144 VanDerWaalsContact OG1-N 3.11Å; T141-Q144 PolarHBondContact OG1-O 3.08Å; Q144-L196 WeakPolarHBondContact CA-O 3.39Å; Q144-M197 HydrophobicContact CG-CE 3.89Å; Q144-M197 HydrophobicContact CG-SD 3.73Å; Q144-M197 PolarHBondContact NE2-SD 2.98Å
145	R	95.5	Very high	92.4	Very high	19 Å²	19	42 Å²	42	7%	0.072	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	119	159.8	-59.8	177	68.3	88.4	-1.6	107.7	P122 L138 V140 E178 R195 L196 M198	P122-R145 VanDerWaalsContact CG-CZ 3.49Å; L138-R145 HydrophobicContact CD1-CB 4.48Å; V140-R145 HydrophobicContact CG1-CG 4.45Å; V140-R145 HydrophobicContact CG2-CG 4.29Å; R145-E178 IonicContact CZ-OE1 2.7Å; R145-E178 IonicContact NE-OE1 3.15Å; R145-E178 PolarHBondContact NE-OE1 3.46Å; R145-E178 IonicContact NE-OE2 3.53Å; R145-E178 PolarHBondContact NE-OE2 2.99Å; R145-E178 IonicContact NH2-OE1 2.74Å; R145-E178 PolarHBondContact NH2-OE1 3.24Å; R145-R195 CarbonylContact O-C 3.37Å; R145-R195 WeakPolarHBondContact O-CA 3.4Å; R145-L196 HydrophobicContact CB-CB 4.39Å; R145-L196 PolarHBondContact N-O 2.92Å; R145-L196 PolarHBondContact O-N 3.29Å; R145-M198 HydrophobicContact CG-CG 3.84Å; R145-M198 HydrophobicContact CG-SD 3.88Å
146	K	96.1	Very high	92.2	Very high	50 Å²	50	42.4 Å²	42.4	22%	0.217	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	103.9	-178.2	174.1	168.8	172	-70.7	0	110.2	L138 D139 G148 G149 D193 L194 R195	L138-K146 WeakPolarHBondContact CA-O 3.39Å; D139-K146 HydrophobicContact CB-CB 4.41Å; D139-K146 PolarHBondContact N-O 3.46Å; D139-K146 PolarHBondContact O-N 2.81Å; K146-G148 PolarHBondContact NZ-O 2.79Å; K146-G149 PolarHBondContact NZ-O 2.89Å; K146-D193 VanDerWaalsContact CE-OD2 3.29Å; K146-D193 WeakPolarHBondContact CE-OD2 3.25Å; K146-L194 CarbonylContact C-O 3.43Å; K146-L194 WeakPolarHBondContact CA-O 3.47Å; K146-R195 HydrophobicContact CB-CG 4.35Å; K146-R195 HydrophobicContact CD-CG 4.25Å; K146-R195 HydrophobicContact CG-CG 4.1Å
147	Y	96.5	Very high	91.7	Very high	3 Å²	3	45.6 Å²	45.6	1%	0.012	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	124.7	169.9	171	-87.4	0	0	0	109	L130 L131 T134 Y136 T137 V182 D193 L194	L130-Y147 HydrophobicContact CD1-CE2 4.48Å; L130-Y147 HydrophobicContact CD2-CD2 4.12Å; L130-Y147 HydrophobicContact CD2-CE2 3.79Å; L130-Y147 HydrophobicContact CG-CE2 3.96Å; L131-Y147 HydrophobicContact CD2-CD2 3.88Å; L131-Y147 HydrophobicContact CD2-CE2 3.89Å; T134-Y147 VanDerWaalsContact CB-OH 3.28Å; T134-Y147 WeakPolarHBondContact CB-OH 3.4Å; T134-Y147 WeakPolarHBondContact CG2-OH 3.48Å; T134-Y147 PolarHBondContact OG1-OH 3.39Å; Y136-Y147 VanDerWaalsContact CB-CZ 3.45Å; Y136-Y147 AromaticContact CD1-CD1 3.74Å; Y136-Y147 HydrophobicContact CD1-CD1 3.74Å; Y136-Y147 AromaticContact CD1-CE1 3.14Å; Y136-Y147 HydrophobicContact CD1-CE1 3.14Å; Y136-Y147 HydrophobicContact CD1-CE2 4.28Å; Y136-Y147 AromaticContact CD1-CZ 3.45Å; Y136-Y147 VanDerWaalsContact CD1-CZ 3.45Å; Y136-Y147 HydrophobicContact CD2-CE1 4.28Å; Y136-Y147 AromaticContact CD2-CZ 3.85Å; Y136-Y147 WeakPolarHBondContact CD2-OH 3.4Å; Y136-Y147 HydrophobicContact CE1-CD1 4.26Å; Y136-Y147 AromaticContact CE1-CE1 3.52Å; Y136-Y147 HydrophobicContact CE1-CE1 3.52Å; Y136-Y147 HydrophobicContact CG-CD1 4.39Å; Y136-Y147 AromaticContact CG-CE1 3.58Å; Y136-Y147 HydrophobicContact CG-CE1 3.58Å; Y136-Y147 AromaticContact CG-CE2 3.97Å; Y136-Y147 HydrophobicContact CG-CE2 3.97Å; Y136-Y147 AromaticContact CG-CZ 3.31Å; T137-Y147 WeakPolarHBondContact O-CA 3.37Å; Y147-V182 HydrophobicContact CD1-CG2 3.69Å; Y147-V182 HydrophobicContact CD2-CG2 4.18Å; Y147-V182 HydrophobicContact CE1-CB 4.42Å; Y147-V182 HydrophobicContact CE1-CG1 3.82Å; Y147-V182 HydrophobicContact CE1-CG2 3.67Å; Y147-V182 HydrophobicContact CE2-CG1 4.44Å; Y147-V182 HydrophobicContact CE2-CG2 4.16Å; Y147-V182 HydrophobicContact CG-CG2 3.96Å; Y147-D193 CarbonylContact O-C 3.29Å; Y147-D193 VanDerWaalsContact O-CA 3.23Å; Y147-D193 WeakPolarHBondContact O-CA 3.31Å; Y147-D193 WeakPolarHBondContact O-CB 3.33Å; Y147-L194 HydrophobicContact CD1-CB 4.29Å; Y147-L194 PolarHBondContact N-O 3.1Å; Y147-L194 PolarHBondContact O-N 3.05Å
148	G	93.8	Very high	91.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	73.6	-151.7	-179.9	0	0	0	0	0	115.4	T137 K146 P150	T137-G148 PolarHBondContact O-N 3.01Å; K146-G148 PolarHBondContact NZ-O 2.79Å; G148-P150 CarbonylContact C-O 3.51Å
149	G	86.5	Confident	90.8	Very high	18 Å²	18	48.1 Å²	48.1	19%	0.186	30%	0.298	C	S	.	.	S	Bend	trans	69.4	75.5	-176	0	0	0	0	0	113.4	K146 W192	K146-G149 PolarHBondContact NZ-O 2.89Å; G149-W192 WeakPolarHBondContact CA-O 3.49Å; G149-W192 PolarHBondContact N-O 3.3Å
150	P	88.8	Confident	90.3	Very high	81 Å²	81	49.1 Å²	49.1	53%	0.526	30%	0.301	S	S	.	.	S	Bend	cis	-80.5	165	5.2	33.9	-37.4	0	0	0	114.1	G148 W192	G148-P150 CarbonylContact C-O 3.51Å; P150-W192 HydrophobicContact CB-CH2 3.71Å; P150-W192 HydrophobicContact CB-CZ2 3.88Å; P150-W192 HydrophobicContact CB-CZ3 4.11Å
151	P	92.1	Very high	89.9	Confident	10 Å²	10	48.7 Å²	48.7	7%	0.065	30%	0.299	C	S	.	.	P	Polyproline II helix	trans	-72.5	170.1	163.2	34.9	-35.9	0	0	0	110.9	Y136 Y156 W192	Y136-P151 HydrophobicContact CD1-CB 4.44Å; Y136-P151 HydrophobicContact CE1-CB 3.6Å; Y136-P151 HydrophobicContact CE2-CB 4.42Å; Y136-P151 WeakPolarHBondContact OH-CB 3.33Å; P151-Y156 HydrophobicContact CG-CD1 4.39Å; P151-W192 HydrophobicContact CG-CD2 4.48Å; P151-W192 HydrophobicContact CG-CE3 3.87Å; P151-W192 HydrophobicContact CG-CZ3 4.42Å
152	P	91.9	Very high	89.5	Confident	26 Å²	26	46.9 Å²	46.9	17%	0.169	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-66.5	145.6	172	-21.1	35.4	0	0	0	112.3	G135 Y136 S154 V155 Y156	G135-P152 VanDerWaalsContact C-CG 3.47Å; G135-P152 WeakPolarHBondContact O-CG 3.5Å; Y136-P152 HydrophobicContact CD2-CG 3.74Å; Y136-P152 HydrophobicContact CE2-CG 4.1Å; Y136-P152 HydrophobicContact CG-CG 4.29Å; P152-S154 PolarHBondContact O-N 3.24Å; P152-V155 PolarHBondContact O-N 3.1Å; P152-Y156 PolarHBondContact O-N 3.13Å
153	D	89.1	Confident	89.1	Confident	125 Å²	125	49.2 Å²	49.2	67%	0.668	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-26.6	179.9	-69.1	-67.3	0	0	0	114.1	V155 S157	D153-V155 VanDerWaalsContact C-N 3.25Å; D153-V155 PolarHBondContact O-N 2.86Å; D153-S157 WeakPolarHBondContact OD1-CB 3.43Å; D153-S157 PolarHBondContact OD1-OG 3.11Å
154	S	88.9	Confident	88.7	Confident	113 Å²	113	48.6 Å²	48.6	79%	0.79	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-15.8	176.4	56.3	0	0	0	0	114.4	P152	P152-S154 PolarHBondContact O-N 3.24Å
155	V	88.2	Confident	88.6	Confident	64 Å²	64	45.7 Å²	45.7	39%	0.388	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-43.6	178.5	-178	0	0	0	0	110.8	Y136 P152 D153 P190	Y136-V155 HydrophobicContact CE2-CG2 4.2Å; P152-V155 PolarHBondContact O-N 3.1Å; D153-V155 VanDerWaalsContact C-N 3.25Å; D153-V155 PolarHBondContact O-N 2.86Å; V155-P190 HydrophobicContact CG1-CB 3.81Å
156	Y	88.1	Confident	88.5	Confident	63 Å²	63	46.5 Å²	46.5	25%	0.247	29%	0.286	C	S	.	.			trans	-160	128.1	174.1	-179.6	-95.7	0	0	0	109.9	P151 P152 V159 W192 C214	P151-Y156 HydrophobicContact CG-CD1 4.39Å; P152-Y156 PolarHBondContact O-N 3.13Å; Y156-V159 WeakPolarHBondContact CE1-O 3.34Å; Y156-W192 AromaticContact CD1-CE3 3.97Å; Y156-W192 HydrophobicContact CD1-CE3 3.97Å; Y156-W192 AromaticContact CD1-CZ3 3.98Å; Y156-W192 HydrophobicContact CD1-CZ3 3.98Å; Y156-W192 HydrophobicContact CE1-CE3 4.11Å; Y156-W192 AromaticContact CE1-CZ3 3.98Å; Y156-W192 HydrophobicContact CE1-CZ3 3.98Å; Y156-C214 HydrophobicContact CD1-CB 4.04Å; Y156-C214 HydrophobicContact CD2-CB 3.56Å; Y156-C214 HydrophobicContact CE1-CB 4.25Å; Y156-C214 HydrophobicContact CE2-CB 3.79Å; Y156-C214 HydrophobicContact CG-CB 3.68Å; Y156-C214 VanDerWaalsContact CG-SG 3.58Å
157	S	85.5	Confident	88.4	Confident	87 Å²	87	44.1 Å²	44.1	61%	0.608	28%	0.275	S	S	*	.			trans	-121.7	121.2	170.4	-161.2	0	0	0	0	108.2	D153	D153-S157 WeakPolarHBondContact OD1-CB 3.43Å; D153-S157 PolarHBondContact OD1-OG 3.11Å
158	G	83.3	Confident	88.3	Confident	46 Å²	46	47.2 Å²	47.2	47%	0.474	29%	0.289	S	S	.	.	S	Bend	trans	170.5	-175.8	-168.7	0	0	0	0	0	112.4
159	V	85.9	Confident	88.5	Confident	88 Å²	88	47.2 Å²	47.2	53%	0.533	29%	0.289	S	S	.	.	S	Bend	trans	-70.5	166.6	172.7	-69.2	0	0	0	0	111.5	Y156 W192 L536	Y156-V159 WeakPolarHBondContact CE1-O 3.34Å; V159-W192 WeakPolarHBondContact O-CZ3 3.33Å; V159-L536 HydrophobicContact CG2-CB 3.84Å; V159-L536 HydrophobicContact CG2-CD1 4.16Å
160	Q	85.1	Confident	88.9	Confident	53 Å²	53	46.7 Å²	46.7	25%	0.248	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-61.1	154.7	175	179.1	163.3	-12.4	0	0	111.1	W192 A534 P535 L536	Q160-W192 HydrophobicContact CB-CH2 4.14Å; Q160-W192 HydrophobicContact CB-CZ2 3.67Å; Q160-W192 HydrophobicContact CG-CZ2 3.91Å; Q160-A534 VanDerWaalsContact CD-CA 3.45Å; Q160-A534 PolarHBondContact OE1-O 2.84Å; Q160-P535 CarbonylContact O-C 3.51Å; Q160-L536 CarbonylContact O-C 3.59Å; Q160-L536 WeakPolarHBondContact O-CA 3.42Å; Q160-L536 PolarHBondContact O-N 2.75Å
161	P	86.3	Confident	89.2	Confident	5 Å²	5	49.9 Å²	49.9	3%	0.032	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-81.5	157.3	174.5	-21.3	37	0	0	0	115.5	T165 W192 T212 F213 P535 L536	P161-T165 VanDerWaalsContact C-OG1 3.29Å; P161-T165 HydrophobicContact CB-CG2 3.94Å; P161-T165 WeakPolarHBondContact CB-OG1 3.49Å; P161-W192 HydrophobicContact CG-CB 3.65Å; P161-W192 HydrophobicContact CG-CD2 3.94Å; P161-W192 HydrophobicContact CG-CE3 4.08Å; P161-W192 HydrophobicContact CG-CG 3.75Å; P161-T212 HydrophobicContact CB-CG2 3.68Å; P161-T212 HydrophobicContact CG-CG2 3.96Å; P161-F213 WeakPolarHBondContact CB-O 3.28Å; P161-F213 WeakPolarHBondContact CG-O 3.44Å; P161-P535 WeakPolarHBondContact O-CA 3.33Å; P161-L536 WeakPolarHBondContact CA-O 3.46Å; P161-L536 PolarHBondContact O-N 2.73Å
162	G	81.8	Confident	89.4	Confident	13 Å²	13	49.8 Å²	49.8	13%	0.134	29%	0.287	C	S	.	.			trans	-113.2	-166.7	-160.9	0	0	0	0	0	116.8	G164 T165	G162-G164 PolarHBondContact O-N 3.09Å; G162-T165 PolarHBondContact N-OG1 3.04Å; G162-T165 WeakPolarHBondContact O-CB 3.45Å; G162-T165 WeakPolarHBondContact O-CG2 3.44Å; G162-T165 PolarHBondContact O-N 2.83Å; G162-T165 PolarHBondContact O-OG1 3.36Å
163	I	81.4	Confident	89.5	Confident	85 Å²	85	48.8 Å²	48.8	44%	0.436	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	127.1	176.9	-57.6	178.1	0	0	0	109.4	A244	I163-A244 HydrophobicContact CG1-CB 4.22Å; I163-A244 HydrophobicContact CG2-CB 4.39Å
164	G	84	Confident	89.7	Confident	7 Å²	7	48.3 Å²	48.3	7%	0.072	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	6.1	-174.8	0	0	0	0	0	116.2	G162 K216	G162-G164 PolarHBondContact O-N 3.09Å; G164-K216 VanDerWaalsContact O-CG 3.3Å; G164-K216 WeakPolarHBondContact O-CG 3.21Å
165	T	91.4	Very high	89.7	Confident	3 Å²	3	46.3 Å²	46.3	2%	0.018	25%	0.25	C	S	.	.	S	Bend	trans	-95.2	-9.4	170.1	68.8	0	0	0	0	113.6	P161 G162 F213 K216 G537	P161-T165 VanDerWaalsContact C-OG1 3.29Å; P161-T165 HydrophobicContact CB-CG2 3.94Å; P161-T165 WeakPolarHBondContact CB-OG1 3.49Å; G162-T165 PolarHBondContact N-OG1 3.04Å; G162-T165 WeakPolarHBondContact O-CB 3.45Å; G162-T165 WeakPolarHBondContact O-CG2 3.44Å; G162-T165 PolarHBondContact O-N 2.83Å; G162-T165 PolarHBondContact O-OG1 3.36Å; T165-F213 PolarHBondContact O-N 2.89Å; T165-K216 HydrophobicContact CG2-CB 4.14Å; T165-G537 WeakPolarHBondContact CG2-O 3.31Å
166	E	93	Very high	90	Very high	37 Å²	37	43.2 Å²	43.2	17%	0.173	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	140.9	178	-175.7	-178.8	99.4	0	0	110.8	R195 F210 I211 T212 S242	E166-R195 IonicContact OE1-NH2 2.75Å; E166-R195 IonicContact OE2-CZ 3.69Å; E166-R195 IonicContact OE2-NH1 3.69Å; E166-R195 PolarHBondContact OE2-NH1 3.04Å; E166-R195 IonicContact OE2-NH2 3.46Å; E166-R195 PolarHBondContact OE2-NH2 3.29Å; E166-F210 HydrophobicContact CG-CB 4.21Å; E166-F210 HydrophobicContact CG-CD1 4.5Å; E166-F210 VanDerWaalsContact OE1-CD1 3.28Å; E166-F210 WeakPolarHBondContact OE1-CD1 3.31Å; E166-I211 CarbonylContact C-O 3.41Å; E166-I211 WeakPolarHBondContact CA-O 3.4Å; E166-T212 PolarHBondContact OE2-OG1 3.44Å; E166-T212 VanDerWaalsContact OE2-OG1 3.14Å; E166-S242 WeakPolarHBondContact O-CB 3.32Å; E166-S242 PolarHBondContact O-N 2.92Å; E166-S242 WeakPolarHBondContact OE1-CB 3.44Å; E166-S242 PolarHBondContact OE1-OG 3.49Å
167	V	94.9	Very high	90.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	143.4	166.8	-59.6	0	0	0	0	110.9	V169 F210 I211 F213 A219 A222 V223 V239 C240 I241	V167-V169 HydrophobicContact CG2-CG2 4.04Å; V167-F210 WeakPolarHBondContact O-CA 3.35Å; V167-I211 HydrophobicContact CG2-CB 3.83Å; V167-I211 PolarHBondContact N-O 3.49Å; V167-I211 PolarHBondContact O-N 3.04Å; V167-F213 HydrophobicContact CG1-CE2 4.36Å; V167-F213 HydrophobicContact CG2-CD2 4.43Å; V167-F213 HydrophobicContact CG2-CE2 3.83Å; V167-A219 HydrophobicContact CG1-CB 3.81Å; V167-A219 WeakPolarHBondContact CG1-O 3.28Å; V167-A222 HydrophobicContact CG1-CB 4.37Å; V167-V223 HydrophobicContact CG1-CG2 4.03Å; V167-V239 HydrophobicContact CB-CG1 4.07Å; V167-V239 HydrophobicContact CG1-CG1 4.42Å; V167-V239 HydrophobicContact CG2-CG1 4.22Å; V167-C240 CarbonylContact C-O 3.47Å; V167-C240 WeakPolarHBondContact CA-O 3.42Å; V167-C240 WeakPolarHBondContact CB-O 3.25Å; V167-I241 HydrophobicContact CG1-CD1 4.33Å
168	F	94.8	Very high	90.9	Very high	68 Å²	68	36.7 Å²	36.7	30%	0.298	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	131.3	162.2	168	-89.8	0	0	0	108.4	Y208 F210 V239 C240	F168-Y208 HydrophobicContact CD2-CD2 4.17Å; F168-Y208 AromaticContact CE2-CD2 3.53Å; F168-Y208 HydrophobicContact CE2-CD2 3.53Å; F168-Y208 HydrophobicContact CE2-CE2 4.38Å; F168-Y208 AromaticContact CE2-CG 3.91Å; F168-Y208 HydrophobicContact CE2-CG 3.91Å; F168-Y208 HydrophobicContact CZ-CD2 4.44Å; F168-Y208 HydrophobicContact CZ-CG 4.41Å; F168-F210 HydrophobicContact CB-CD1 4.42Å; F168-F210 HydrophobicContact CB-CE1 4.34Å; F168-F210 HydrophobicContact CD2-CD1 4.42Å; F168-F210 AromaticContact CD2-CE1 3.87Å; F168-F210 HydrophobicContact CD2-CE1 3.87Å; F168-F210 HydrophobicContact CD2-CZ 4.2Å; F168-V239 WeakPolarHBondContact O-CA 3.27Å; F168-C240 PolarHBondContact N-O 3.25Å; F168-C240 PolarHBondContact O-N 2.96Å; F168-C240 VanDerWaalsContact O-N 3.08Å
169	V	96.7	Very high	91.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	110.8	174.7	-175.9	0	0	0	0	107.6	V167 I172 F185 Y208 A209 I211 L237 G238 V239	V167-V169 HydrophobicContact CG2-CG2 4.04Å; V169-I172 HydrophobicContact CB-CD1 4.23Å; V169-I172 HydrophobicContact CG1-CD1 3.86Å; V169-I172 HydrophobicContact CG1-CG1 3.91Å; V169-F185 HydrophobicContact CB-CZ 4.27Å; V169-F185 HydrophobicContact CG1-CE2 3.99Å; V169-F185 HydrophobicContact CG1-CZ 3.76Å; V169-F185 HydrophobicContact CG2-CE1 3.86Å; V169-F185 HydrophobicContact CG2-CE2 3.97Å; V169-F185 HydrophobicContact CG2-CZ 3.43Å; V169-F185 VanDerWaalsContact CG2-CZ 3.43Å; V169-Y208 CarbonylContact O-C 2.79Å; V169-Y208 WeakPolarHBondContact O-CA 3.37Å; V169-Y208 VanDerWaalsContact O-CB 3.32Å; V169-Y208 WeakPolarHBondContact O-CB 3.18Å; V169-A209 PolarHBondContact N-O 3.36Å; V169-A209 PolarHBondContact O-N 3.21Å; V169-I211 HydrophobicContact CG2-CD1 3.8Å; V169-I211 HydrophobicContact CG2-CG1 4.14Å; V169-L237 HydrophobicContact CG1-CD2 4.4Å; V169-G238 CarbonylContact C-O 3.23Å; V169-G238 WeakPolarHBondContact CA-O 3.41Å; V169-V239 HydrophobicContact CG1-CG2 4.27Å; V169-V239 HydrophobicContact CG2-CG1 4.47Å; V169-V239 HydrophobicContact CG2-CG2 4.37Å
170	G	95.7	Very high	91.9	Very high	6 Å²	6	33.7 Å²	33.7	6%	0.062	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	179.4	176.8	0	0	0	0	0	113	I172 G207 G238	G170-I172 PolarHBondContact O-N 2.66Å; G170-G207 CarbonylContact C-O 3.6Å; G170-G238 PolarHBondContact N-O 2.93Å; G170-G238 PolarHBondContact O-N 2.85Å
171	K	95.1	Very high	92.4	Very high	148 Å²	148	31.2 Å²	31.2	64%	0.643	15%	0.15	S	C	*	.	S	Bend	trans	58.8	24.2	-174.8	-55.5	176.2	178	176	0	113.7	G207 H236	K171-G207 PolarHBondContact N-O 2.98Å; K171-H236 VanDerWaalsContact CB-O 3.25Å; K171-H236 WeakPolarHBondContact CB-O 3.37Å; K171-H236 WeakPolarHBondContact CD-O 3.48Å
172	I	96.1	Very high	92.9	Very high	8 Å²	8	31 Å²	31	4%	0.041	15%	0.149	C	C	.	.			trans	-63.8	130.6	178.5	-59.1	-177.3	0	0	0	109.1	V169 G170 L176 L181 L196 G207 A209 L237	V169-I172 HydrophobicContact CB-CD1 4.23Å; V169-I172 HydrophobicContact CG1-CD1 3.86Å; V169-I172 HydrophobicContact CG1-CG1 3.91Å; G170-I172 PolarHBondContact O-N 2.66Å; I172-L176 HydrophobicContact CG2-CB 3.89Å; I172-L176 HydrophobicContact CG2-CD2 4Å; I172-L181 HydrophobicContact CD1-CD1 4.1Å; I172-L181 HydrophobicContact CD1-CD2 4.26Å; I172-L196 HydrophobicContact CD1-CD1 4.02Å; I172-G207 PolarHBondContact N-O 3.16Å; I172-G207 VanDerWaalsContact O-CA 3.27Å; I172-G207 WeakPolarHBondContact O-CA 3.35Å; I172-A209 HydrophobicContact CD1-CB 3.63Å; I172-L237 HydrophobicContact CG1-CD2 4.07Å
173	P	94.6	Very high	93.6	Very high	6 Å²	6	32 Å²	32	4%	0.039	15%	0.153	C	C	.	.			trans	-62	142.3	172.2	-18.9	30.1	0	0	0	111.3	D175 L176 N205 I231 R232 K235	P173-D175 WeakPolarHBondContact CB-OD1 3.15Å; P173-D175 PolarHBondContact O-N 2.98Å; P173-D175 VanDerWaalsContact O-N 3.09Å; P173-L176 HydrophobicContact CB-CB 4.15Å; P173-L176 HydrophobicContact CG-CB 4.2Å; P173-L176 WeakPolarHBondContact O-CB 3.07Å; P173-L176 PolarHBondContact O-N 3.44Å; P173-N205 PolarHBondContact O-ND2 2.78Å; P173-I231 HydrophobicContact CG-CG2 3.67Å; P173-R232 HydrophobicContact CB-CG 4.4Å; P173-R232 HydrophobicContact CG-CG 3.97Å; P173-K235 HydrophobicContact CB-CD 3.75Å; P173-K235 HydrophobicContact CG-CB 4.25Å; P173-K235 HydrophobicContact CG-CD 3.7Å
174	R	92.1	Very high	94.3	Very high	114 Å²	114	28.2 Å²	28.2	43%	0.43	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-22.7	178.5	-64.1	-62.4	-166.7	129.2	17.2	113.8	N205	R174-N205 WeakPolarHBondContact CD-O 3.47Å; R174-N205 PolarHBondContact NH1-O 2.99Å; R174-N205 PolarHBondContact O-ND2 2.73Å
175	D	90.7	Very high	94.9	Very high	71 Å²	71	27.9 Å²	27.9	38%	0.38	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-4.1	176.6	56.5	-74.1	0	0	0	114.7	P173 R232 K235	P173-D175 WeakPolarHBondContact CB-OD1 3.15Å; P173-D175 PolarHBondContact O-N 2.98Å; P173-D175 VanDerWaalsContact O-N 3.09Å; D175-R232 IonicContact OD2-CZ 3.78Å; D175-R232 IonicContact OD2-NE 3.08Å; D175-R232 PolarHBondContact OD2-NE 3.03Å; D175-R232 IonicContact OD2-NH2 3.94Å; D175-R232 PolarHBondContact OD2-NH2 3.41Å; D175-R232 VanDerWaalsContact OD2-NH2 3.15Å; D175-K235 IonicContact OD1-NZ 3.53Å; D175-K235 PolarHBondContact OD1-NZ 3.31Å; D175-K235 VanDerWaalsContact OD1-NZ 3.13Å
176	L	94.3	Very high	95.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.143	C	C	.	.			trans	-100.1	135.1	-175.3	-157.9	83.6	0	0	0	112.3	I172 P173 E180 L181 N205 I231	I172-L176 HydrophobicContact CG2-CB 3.89Å; I172-L176 HydrophobicContact CG2-CD2 4Å; P173-L176 HydrophobicContact CB-CB 4.15Å; P173-L176 HydrophobicContact CG-CB 4.2Å; P173-L176 WeakPolarHBondContact O-CB 3.07Å; P173-L176 PolarHBondContact O-N 3.44Å; L176-E180 HydrophobicContact CD1-CB 3.61Å; L176-E180 HydrophobicContact CD1-CG 4.13Å; L176-E180 WeakPolarHBondContact CD1-OE2 3.19Å; L176-E180 HydrophobicContact CG-CB 4.14Å; L176-L181 HydrophobicContact CD2-CD1 4.44Å; L176-L181 HydrophobicContact CD2-CD2 3.6Å; L176-L181 HydrophobicContact CD2-CG 3.73Å; L176-L181 HydrophobicContact CG-CG 4.34Å; L176-N205 PolarHBondContact O-ND2 3.46Å; L176-I231 HydrophobicContact CD1-CD1 4.21Å; L176-I231 HydrophobicContact CD1-CG1 3.61Å; L176-I231 HydrophobicContact CD2-CG1 3.73Å; L176-I231 HydrophobicContact CD2-CG2 4.49Å; L176-I231 HydrophobicContact CG-CG1 4.35Å
177	Y	95.6	Very high	95.2	Very high	11 Å²	11	33.4 Å²	33.4	4%	0.043	16%	0.155	C	C	.	.			trans	-132.6	-173.8	-179	-65.5	-89.3	0	0	0	111.8	P122 D179 E180 L181 L196 M198	P122-Y177 HydrophobicContact CB-CD1 3.84Å; P122-Y177 HydrophobicContact CB-CD2 3.88Å; P122-Y177 HydrophobicContact CB-CE1 4.27Å; P122-Y177 HydrophobicContact CB-CE2 4.31Å; P122-Y177 HydrophobicContact CB-CG 3.63Å; P122-Y177 HydrophobicContact CG-CD1 4Å; P122-Y177 HydrophobicContact CG-CE1 4.14Å; P122-Y177 HydrophobicContact CG-CG 4.31Å; Y177-D179 WeakPolarHBondContact CB-OD1 3.34Å; Y177-D179 PolarHBondContact O-N 3.17Å; Y177-E180 PolarHBondContact O-N 2.94Å; Y177-L181 WeakPolarHBondContact O-CG 3.3Å; Y177-L181 PolarHBondContact O-N 3.28Å; Y177-L196 HydrophobicContact CD1-CD2 3.85Å; Y177-L196 HydrophobicContact CG-CD2 4.49Å; Y177-M198 HydrophobicContact CE1-CE 3.94Å
178	E	95.3	Very high	95.2	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-60.7	-21.4	179.7	59.8	-86	-162.6	0	0	114.1	I127 L130 L138 R145 E180 V182 L194	I127-E178 HydrophobicContact CD1-CG 3.61Å; I127-E178 WeakPolarHBondContact CD1-OE1 3.5Å; L130-E178 HydrophobicContact CD2-CB 4.39Å; L130-E178 HydrophobicContact CD2-CG 4.27Å; L130-E178 WeakPolarHBondContact CD2-O 2.98Å; L138-E178 WeakPolarHBondContact CD2-OE1 3.44Å; R145-E178 IonicContact CZ-OE1 2.7Å; R145-E178 IonicContact NE-OE1 3.15Å; R145-E178 PolarHBondContact NE-OE1 3.46Å; R145-E178 IonicContact NE-OE2 3.53Å; R145-E178 PolarHBondContact NE-OE2 2.99Å; R145-E178 IonicContact NH2-OE1 2.74Å; R145-E178 PolarHBondContact NH2-OE1 3.24Å; E178-E180 VanDerWaalsContact C-N 3.28Å; E178-E180 PolarHBondContact O-N 3.07Å; E178-V182 HydrophobicContact CB-CG2 4.14Å; E178-V182 VanDerWaalsContact O-CB 3.29Å; E178-V182 WeakPolarHBondContact O-CB 3.11Å; E178-V182 WeakPolarHBondContact O-CG2 3.46Å; E178-V182 PolarHBondContact O-N 3.46Å; E178-L194 HydrophobicContact CB-CD2 4.1Å
179	D	94.9	Very high	95.2	Very high	19 Å²	19	30.9 Å²	30.9	10%	0.102	15%	0.147	C	C	.	.	H	α-helix	trans	-58.7	-35.3	172.9	69.6	-44.5	0	0	0	113.4	K126 I127 Y177 P183	K126-D179 HydrophobicContact CB-CB 3.9Å; K126-D179 HydrophobicContact CD-CB 4.17Å; K126-D179 WeakPolarHBondContact CD-OD2 3.35Å; K126-D179 IonicContact NZ-OD2 3.38Å; K126-D179 PolarHBondContact NZ-OD2 3.47Å; I127-D179 HydrophobicContact CD1-CB 4.16Å; Y177-D179 WeakPolarHBondContact CB-OD1 3.34Å; Y177-D179 PolarHBondContact O-N 3.17Å; D179-P183 WeakPolarHBondContact O-CD 3.3Å; D179-P183 WeakPolarHBondContact O-CG 3.31Å
180	E	95.4	Very high	95.1	Very high	52 Å²	52	32.3 Å²	32.3	24%	0.243	16%	0.156	C	C	.	.	H	α-helix	trans	-103.5	-34.1	178.1	-67.4	-170.3	-125.7	0	0	112.8	L176 Y177 E178 L184 R232	L176-E180 HydrophobicContact CD1-CB 3.61Å; L176-E180 HydrophobicContact CD1-CG 4.13Å; L176-E180 WeakPolarHBondContact CD1-OE2 3.19Å; L176-E180 HydrophobicContact CG-CB 4.14Å; Y177-E180 PolarHBondContact O-N 2.94Å; E178-E180 VanDerWaalsContact C-N 3.28Å; E178-E180 PolarHBondContact O-N 3.07Å; E180-L184 PolarHBondContact O-N 3.38Å; E180-R232 IonicContact OE1-CZ 2.73Å; E180-R232 IonicContact OE1-NH1 2.64Å; E180-R232 PolarHBondContact OE1-NH1 2.97Å; E180-R232 IonicContact OE1-NH2 2.73Å; E180-R232 PolarHBondContact OE1-NH2 3.17Å; E180-R232 IonicContact OE2-CZ 3.06Å; E180-R232 IonicContact OE2-NH1 3.76Å; E180-R232 PolarHBondContact OE2-NH1 2.63Å; E180-R232 IonicContact OE2-NH2 3.13Å; E180-R232 PolarHBondContact OE2-NH2 2.93Å
181	L	96.6	Very high	95.1	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-66.4	-45.8	177.7	-71.1	164.8	0	0	0	112.1	I172 L176 Y177 L184 F185 L194 L196	I172-L181 HydrophobicContact CD1-CD1 4.1Å; I172-L181 HydrophobicContact CD1-CD2 4.26Å; L176-L181 HydrophobicContact CD2-CD1 4.44Å; L176-L181 HydrophobicContact CD2-CD2 3.6Å; L176-L181 HydrophobicContact CD2-CG 3.73Å; L176-L181 HydrophobicContact CG-CG 4.34Å; Y177-L181 WeakPolarHBondContact O-CG 3.3Å; Y177-L181 PolarHBondContact O-N 3.28Å; L181-L184 PolarHBondContact O-N 3.27Å; L181-L184 VanDerWaalsContact O-N 3.16Å; L181-F185 HydrophobicContact CD2-CD2 4.38Å; L181-F185 HydrophobicContact CD2-CE2 3.95Å; L181-F185 WeakPolarHBondContact O-CD2 3.04Å; L181-F185 PolarHBondContact O-N 2.68Å; L181-L194 HydrophobicContact CB-CD1 3.77Å; L181-L194 HydrophobicContact CD1-CD1 4.48Å; L181-L196 HydrophobicContact CD1-CD1 4.04Å
182	V	97	Very high	95.2	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.006	13%	0.127	C	C	.	.	H	α-helix	trans	-63.3	-48	-177.3	174.2	0	0	0	0	111.5	L130 Y147 E178 L184 F185 E186 I191 L194	L130-V182 HydrophobicContact CD1-CB 4.15Å; L130-V182 HydrophobicContact CD1-CG1 3.98Å; L130-V182 HydrophobicContact CD2-CB 4.13Å; L130-V182 HydrophobicContact CD2-CG2 4.18Å; Y147-V182 HydrophobicContact CD1-CG2 3.69Å; Y147-V182 HydrophobicContact CD2-CG2 4.18Å; Y147-V182 HydrophobicContact CE1-CB 4.42Å; Y147-V182 HydrophobicContact CE1-CG1 3.82Å; Y147-V182 HydrophobicContact CE1-CG2 3.67Å; Y147-V182 HydrophobicContact CE2-CG1 4.44Å; Y147-V182 HydrophobicContact CE2-CG2 4.16Å; Y147-V182 HydrophobicContact CG-CG2 3.96Å; E178-V182 HydrophobicContact CB-CG2 4.14Å; E178-V182 VanDerWaalsContact O-CB 3.29Å; E178-V182 WeakPolarHBondContact O-CB 3.11Å; E178-V182 WeakPolarHBondContact O-CG2 3.46Å; E178-V182 PolarHBondContact O-N 3.46Å; V182-L184 PolarHBondContact O-N 2.88Å; V182-F185 PolarHBondContact O-N 2.8Å; V182-E186 VanDerWaalsContact O-CB 3.28Å; V182-E186 WeakPolarHBondContact O-CB 3Å; V182-E186 WeakPolarHBondContact O-CG 3.37Å; V182-E186 PolarHBondContact O-N 2.88Å; V182-I191 HydrophobicContact CG1-CD1 4.33Å; V182-L194 HydrophobicContact CG2-CD1 3.95Å
183	P	95.8	Very high	95.1	Very high	34 Å²	34	26 Å²	26	22%	0.221	13%	0.126	C	C	.	.	H	α-helix	trans	-63.1	-19.2	174.7	-26.1	37.8	0	0	0	115.5	D179 K187	D179-P183 WeakPolarHBondContact O-CD 3.3Å; D179-P183 WeakPolarHBondContact O-CG 3.31Å; P183-K187 VanDerWaalsContact O-CE 3.23Å; P183-K187 WeakPolarHBondContact O-CE 3.36Å
184	L	95.8	Very high	95.2	Very high	6 Å²	6	25.7 Å²	25.7	3%	0.031	12%	0.124	C	C	.	.	H	α-helix	trans	-78.6	-53.1	171.5	179.6	58.8	0	0	0	111	E180 L181 V182 K187 Y229 L237	E180-L184 PolarHBondContact O-N 3.38Å; L181-L184 PolarHBondContact O-N 3.27Å; L181-L184 VanDerWaalsContact O-N 3.16Å; V182-L184 PolarHBondContact O-N 2.88Å; L184-K187 WeakPolarHBondContact O-CB 3.48Å; L184-K187 WeakPolarHBondContact O-CD 3.37Å; L184-K187 WeakPolarHBondContact O-CG 3.41Å; L184-K187 PolarHBondContact O-N 3.03Å; L184-Y229 HydrophobicContact CD1-CD1 4.19Å; L184-Y229 HydrophobicContact CD1-CD2 4.07Å; L184-Y229 HydrophobicContact CD1-CE1 3.95Å; L184-Y229 HydrophobicContact CD1-CE2 3.81Å; L184-Y229 HydrophobicContact CD1-CG 4.26Å; L184-Y229 HydrophobicContact CD2-CD1 3.78Å; L184-Y229 HydrophobicContact CD2-CE1 4.01Å; L184-Y229 HydrophobicContact CD2-CG 4.27Å; L184-L237 HydrophobicContact CD2-CD1 3.54Å
185	F	96.9	Very high	95.4	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-78.8	-24.3	-173.4	-75.1	-82.2	0	0	0	113.8	V169 L181 V182 K187 A188 I191 I211 F213 A222 C226 L237 V239	V169-F185 HydrophobicContact CB-CZ 4.27Å; V169-F185 HydrophobicContact CG1-CE2 3.99Å; V169-F185 HydrophobicContact CG1-CZ 3.76Å; V169-F185 HydrophobicContact CG2-CE1 3.86Å; V169-F185 HydrophobicContact CG2-CE2 3.97Å; V169-F185 HydrophobicContact CG2-CZ 3.43Å; V169-F185 VanDerWaalsContact CG2-CZ 3.43Å; L181-F185 HydrophobicContact CD2-CD2 4.38Å; L181-F185 HydrophobicContact CD2-CE2 3.95Å; L181-F185 WeakPolarHBondContact O-CD2 3.04Å; L181-F185 PolarHBondContact O-N 2.68Å; V182-F185 PolarHBondContact O-N 2.8Å; F185-K187 PolarHBondContact O-N 3.33Å; F185-A188 PolarHBondContact O-N 2.98Å; F185-A188 VanDerWaalsContact O-N 3.09Å; F185-I191 HydrophobicContact CB-CD1 3.88Å; F185-I211 HydrophobicContact CB-CD1 3.84Å; F185-I211 HydrophobicContact CD1-CD1 3.8Å; F185-I211 HydrophobicContact CD2-CD1 3.33Å; F185-I211 HydrophobicContact CE1-CD1 4.19Å; F185-I211 HydrophobicContact CE2-CD1 3.78Å; F185-I211 HydrophobicContact CG-CD1 3.35Å; F185-I211 HydrophobicContact CZ-CD1 4.19Å; F185-F213 HydrophobicContact CB-CZ 4.07Å; F185-F213 HydrophobicContact CD1-CZ 4.08Å; F185-F213 WeakPolarHBondContact O-CE1 3.37Å; F185-A222 HydrophobicContact CD1-CB 4.03Å; F185-A222 HydrophobicContact CE1-CB 4.32Å; F185-C226 HydrophobicContact CD1-CB 4.24Å; F185-C226 HydrophobicContact CE1-CB 3.52Å; F185-C226 HydrophobicContact CZ-CB 3.76Å; F185-L237 HydrophobicContact CE2-CD1 4.39Å; F185-V239 HydrophobicContact CE1-CG1 4.08Å; F185-V239 HydrophobicContact CE1-CG2 4.04Å; F185-V239 HydrophobicContact CZ-CG2 3.78Å
186	E	95.4	Very high	95.7	Very high	60 Å²	60	19 Å²	19	28%	0.28	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-14.2	172.8	78.7	-176.4	-156	0	0	113.3	R133 V182	R133-E186 IonicContact CZ-OE1 2.78Å; R133-E186 IonicContact CZ-OE2 2.92Å; R133-E186 VanDerWaalsContact NH1-CD 3.34Å; R133-E186 IonicContact NH1-OE1 3.97Å; R133-E186 PolarHBondContact NH1-OE1 2.82Å; R133-E186 IonicContact NH1-OE2 3.52Å; R133-E186 PolarHBondContact NH1-OE2 3.3Å; R133-E186 IonicContact NH2-OE1 3.27Å; R133-E186 PolarHBondContact NH2-OE1 3.01Å; R133-E186 IonicContact NH2-OE2 3.48Å; R133-E186 PolarHBondContact NH2-OE2 3.42Å; V182-E186 VanDerWaalsContact O-CB 3.28Å; V182-E186 WeakPolarHBondContact O-CB 3Å; V182-E186 WeakPolarHBondContact O-CG 3.37Å; V182-E186 PolarHBondContact O-N 2.88Å
187	K	94.8	Very high	95.8	Very high	96 Å²	96	19.9 Å²	19.9	42%	0.417	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-27.2	175	-60.5	173.1	-175.1	166.7	0	113.4	P183 L184 F185 L225	P183-K187 VanDerWaalsContact O-CE 3.23Å; P183-K187 WeakPolarHBondContact O-CE 3.36Å; L184-K187 WeakPolarHBondContact O-CB 3.48Å; L184-K187 WeakPolarHBondContact O-CD 3.37Å; L184-K187 WeakPolarHBondContact O-CG 3.41Å; L184-K187 PolarHBondContact O-N 3.03Å; F185-K187 PolarHBondContact O-N 3.33Å; K187-L225 HydrophobicContact CB-CD2 3.86Å
188	A	95.3	Very high	95.7	Very high	8 Å²	8	20 Å²	20	7%	0.066	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-20.8	-179.2	0	0	0	0	0	113.1	F185 F213 A218 E221 A222 L225	F185-A188 PolarHBondContact O-N 2.98Å; F185-A188 VanDerWaalsContact O-N 3.09Å; A188-F213 HydrophobicContact CB-CE1 4.35Å; A188-F213 HydrophobicContact CB-CZ 4.35Å; A188-A218 WeakPolarHBondContact O-CB 3.38Å; A188-E221 HydrophobicContact CB-CB 4.36Å; A188-E221 HydrophobicContact CB-CG 4.46Å; A188-A222 HydrophobicContact CB-CB 3.76Å; A188-L225 HydrophobicContact CB-CD2 4.4Å
189	G	94.6	Very high	95.5	Very high	6 Å²	6	21.8 Å²	21.8	6%	0.062	11%	0.109	C	C	.	.	S	Bend	trans	157.6	179.8	173.2	0	0	0	0	0	113.4	I191	G189-I191 PolarHBondContact O-N 3.2Å
190	P	94.8	Very high	95.2	Very high	30 Å²	30	23 Å²	23	20%	0.195	12%	0.117	C	C	.	.			trans	-63.8	122.3	177.5	25.1	-33.7	0	0	0	111.4	V155 C214	V155-P190 HydrophobicContact CG1-CB 3.81Å; P190-C214 HydrophobicContact CB-CB 4.31Å; P190-C214 HydrophobicContact CG-CB 4.04Å; P190-C214 PolarHBondContact O-N 2.82Å; P190-C214 PolarHBondContact O-SG 2.81Å
191	I	96.8	Very high	94.8	Very high	3 Å²	3	21.4 Å²	21.4	2%	0.015	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	132.3	174.3	-62.6	176.1	0	0	0	108.5	Y136 V182 F185 G189 D193 L194 I211 F213	Y136-I191 WeakPolarHBondContact CE1-O 3.07Å; Y136-I191 PolarHBondContact OH-O 3.4Å; V182-I191 HydrophobicContact CG1-CD1 4.33Å; F185-I191 HydrophobicContact CB-CD1 3.88Å; G189-I191 PolarHBondContact O-N 3.2Å; I191-D193 VanDerWaalsContact CG2-C 3.48Å; I191-D193 VanDerWaalsContact CG2-O 3.3Å; I191-D193 WeakPolarHBondContact CG2-O 3.36Å; I191-L194 HydrophobicContact CG2-CB 4.48Å; I191-I211 HydrophobicContact CD1-CG2 4.16Å; I191-I211 HydrophobicContact CG1-CG2 4.04Å; I191-I211 HydrophobicContact CG2-CG2 3.89Å; I191-F213 HydrophobicContact CG1-CD1 4.21Å; I191-F213 HydrophobicContact CG1-CE1 3.84Å; I191-F213 HydrophobicContact CG1-CZ 4.45Å
192	W	95.5	Very high	94.2	Very high	22 Å²	22	22.7 Å²	22.7	8%	0.083	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	-54.7	168.2	171.1	-89.6	0	0	0	110.6	G149 P150 P151 Y156 V159 Q160 P161 T212	G149-W192 WeakPolarHBondContact CA-O 3.49Å; G149-W192 PolarHBondContact N-O 3.3Å; P150-W192 HydrophobicContact CB-CH2 3.71Å; P150-W192 HydrophobicContact CB-CZ2 3.88Å; P150-W192 HydrophobicContact CB-CZ3 4.11Å; P151-W192 HydrophobicContact CG-CD2 4.48Å; P151-W192 HydrophobicContact CG-CE3 3.87Å; P151-W192 HydrophobicContact CG-CZ3 4.42Å; Y156-W192 AromaticContact CD1-CE3 3.97Å; Y156-W192 HydrophobicContact CD1-CE3 3.97Å; Y156-W192 AromaticContact CD1-CZ3 3.98Å; Y156-W192 HydrophobicContact CD1-CZ3 3.98Å; Y156-W192 HydrophobicContact CE1-CE3 4.11Å; Y156-W192 AromaticContact CE1-CZ3 3.98Å; Y156-W192 HydrophobicContact CE1-CZ3 3.98Å; V159-W192 WeakPolarHBondContact O-CZ3 3.33Å; Q160-W192 HydrophobicContact CB-CH2 4.14Å; Q160-W192 HydrophobicContact CB-CZ2 3.67Å; Q160-W192 HydrophobicContact CG-CZ2 3.91Å; P161-W192 HydrophobicContact CG-CB 3.65Å; P161-W192 HydrophobicContact CG-CD2 3.94Å; P161-W192 HydrophobicContact CG-CE3 4.08Å; P161-W192 HydrophobicContact CG-CG 3.75Å; W192-T212 WeakPolarHBondContact CA-O 3.44Å; W192-T212 HydrophobicContact CB-CG2 4.15Å; W192-T212 WeakPolarHBondContact CB-O 3.48Å; W192-T212 HydrophobicContact CG-CG2 4.32Å; W192-T212 PolarHBondContact N-O 3.39Å
193	D	95.3	Very high	93.6	Very high	5 Å²	5	24.8 Å²	24.8	3%	0.027	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	158.2	168.7	90.8	-7.3	0	0	0	112.6	K146 Y147 I191 R195 I211 T212	K146-D193 VanDerWaalsContact CE-OD2 3.29Å; K146-D193 WeakPolarHBondContact CE-OD2 3.25Å; Y147-D193 CarbonylContact O-C 3.29Å; Y147-D193 VanDerWaalsContact O-CA 3.23Å; Y147-D193 WeakPolarHBondContact O-CA 3.31Å; Y147-D193 WeakPolarHBondContact O-CB 3.33Å; I191-D193 VanDerWaalsContact CG2-C 3.48Å; I191-D193 VanDerWaalsContact CG2-O 3.3Å; I191-D193 WeakPolarHBondContact CG2-O 3.36Å; D193-R195 VanDerWaalsContact CG-NH1 3.3Å; D193-R195 IonicContact OD1-CZ 2.83Å; D193-R195 IonicContact OD1-NH1 3.12Å; D193-R195 PolarHBondContact OD1-NH1 3.11Å; D193-R195 VanDerWaalsContact OD2-CD 3.28Å; D193-R195 WeakPolarHBondContact OD2-CD 3.46Å; D193-R195 WeakPolarHBondContact OD2-CG 3.17Å; D193-R195 IonicContact OD2-CZ 3.6Å; D193-R195 IonicContact OD2-NH1 2.69Å; D193-R195 PolarHBondContact OD2-NH1 2.85Å; D193-R195 VanDerWaalsContact OD2-NH1 3.08Å; D193-I211 CarbonylContact O-C 3.56Å; D193-I211 WeakPolarHBondContact O-CA 3.05Å; D193-T212 PolarHBondContact N-O 3.29Å; D193-T212 VanDerWaalsContact N-O 3.14Å; D193-T212 PolarHBondContact O-N 3.45Å; D193-T212 WeakPolarHBondContact OD1-CB 3.45Å; D193-T212 PolarHBondContact OD1-OG1 3.04Å
194	L	97.1	Very high	93.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	123.3	167.7	172.6	156.6	0	0	0	107.5	K146 Y147 E178 L181 V182 I191 L196 F210 I211	K146-L194 CarbonylContact C-O 3.43Å; K146-L194 WeakPolarHBondContact CA-O 3.47Å; Y147-L194 HydrophobicContact CD1-CB 4.29Å; Y147-L194 PolarHBondContact N-O 3.1Å; Y147-L194 PolarHBondContact O-N 3.05Å; E178-L194 HydrophobicContact CB-CD2 4.1Å; L181-L194 HydrophobicContact CB-CD1 3.77Å; L181-L194 HydrophobicContact CD1-CD1 4.48Å; V182-L194 HydrophobicContact CG2-CD1 3.95Å; I191-L194 HydrophobicContact CG2-CB 4.48Å; L194-L196 HydrophobicContact CD2-CB 4.05Å; L194-F210 CarbonylContact C-O 3.5Å; L194-F210 WeakPolarHBondContact CA-O 3.29Å; L194-I211 HydrophobicContact CB-CG1 4.18Å; L194-I211 HydrophobicContact CD1-CD1 3.7Å; L194-I211 HydrophobicContact CD1-CG1 3.86Å; L194-I211 HydrophobicContact CG-CD1 4.3Å; L194-I211 HydrophobicContact CG-CG1 3.88Å
195	R	95.5	Very high	93.2	Very high	44 Å²	44	24.8 Å²	24.8	17%	0.166	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	90.1	-179.1	-56.4	-171	-56.7	-83.7	-0.2	109.2	R145 K146 E166 D193 A209 F210 T212	R145-R195 CarbonylContact O-C 3.37Å; R145-R195 WeakPolarHBondContact O-CA 3.4Å; K146-R195 HydrophobicContact CB-CG 4.35Å; K146-R195 HydrophobicContact CD-CG 4.25Å; K146-R195 HydrophobicContact CG-CG 4.1Å; E166-R195 IonicContact OE1-NH2 2.75Å; E166-R195 IonicContact OE2-CZ 3.69Å; E166-R195 IonicContact OE2-NH1 3.69Å; E166-R195 PolarHBondContact OE2-NH1 3.04Å; E166-R195 IonicContact OE2-NH2 3.46Å; E166-R195 PolarHBondContact OE2-NH2 3.29Å; D193-R195 VanDerWaalsContact CG-NH1 3.3Å; D193-R195 IonicContact OD1-CZ 2.83Å; D193-R195 IonicContact OD1-NH1 3.12Å; D193-R195 PolarHBondContact OD1-NH1 3.11Å; D193-R195 VanDerWaalsContact OD2-CD 3.28Å; D193-R195 WeakPolarHBondContact OD2-CD 3.46Å; D193-R195 WeakPolarHBondContact OD2-CG 3.17Å; D193-R195 IonicContact OD2-CZ 3.6Å; D193-R195 IonicContact OD2-NH1 2.69Å; D193-R195 PolarHBondContact OD2-NH1 2.85Å; D193-R195 VanDerWaalsContact OD2-NH1 3.08Å; R195-A209 VanDerWaalsContact O-CA 3.32Å; R195-A209 WeakPolarHBondContact O-CA 3.36Å; R195-F210 PolarHBondContact N-O 2.8Å; R195-F210 PolarHBondContact O-N 2.94Å; R195-T212 PolarHBondContact NH1-OG1 3.48Å; R195-T212 VanDerWaalsContact NH1-OG1 3.14Å
196	L	97.1	Very high	93.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	121.1	174.4	-177.3	61.7	0	0	0	108.7	Q144 R145 I172 Y177 L181 L194 M198 N205 A209	Q144-L196 WeakPolarHBondContact CA-O 3.39Å; R145-L196 HydrophobicContact CB-CB 4.39Å; R145-L196 PolarHBondContact N-O 2.92Å; R145-L196 PolarHBondContact O-N 3.29Å; I172-L196 HydrophobicContact CD1-CD1 4.02Å; Y177-L196 HydrophobicContact CD1-CD2 3.85Å; Y177-L196 HydrophobicContact CG-CD2 4.49Å; L181-L196 HydrophobicContact CD1-CD1 4.04Å; L194-L196 HydrophobicContact CD2-CB 4.05Å; L196-M198 HydrophobicContact CD2-SD 4.22Å; L196-M198 HydrophobicContact CG-SD 4.09Å; L196-N205 HydrophobicContact CD1-CB 3.82Å; L196-N205 HydrophobicContact CD2-CB 4.07Å; L196-N205 HydrophobicContact CG-CB 3.93Å; L196-A209 HydrophobicContact CB-CB 4.45Å; L196-A209 HydrophobicContact CD1-CB 3.94Å
197	M	95.4	Very high	93	Very high	19 Å²	19	28.2 Å²	28.2	9%	0.094	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	123.7	-176.7	-67.1	-64.6	-46.1	0	0	109.8	Q144 N205 R206 Y208 F210	Q144-M197 HydrophobicContact CG-CE 3.89Å; Q144-M197 HydrophobicContact CG-SD 3.73Å; Q144-M197 PolarHBondContact NE2-SD 2.98Å; M197-N205 CarbonylContact O-C 3.34Å; M197-N205 WeakPolarHBondContact O-CA 3.43Å; M197-R206 HydrophobicContact CB-CB 4.35Å; M197-R206 WeakPolarHBondContact O-CB 3Å; M197-R206 PolarHBondContact O-N 3.22Å; M197-Y208 HydrophobicContact CB-CD1 4.37Å; M197-Y208 HydrophobicContact CB-CD2 4.37Å; M197-Y208 HydrophobicContact CB-CE1 4Å; M197-Y208 HydrophobicContact CB-CE2 4.05Å; M197-Y208 WeakPolarHBondContact CB-O 3.42Å; M197-Y208 HydrophobicContact CG-CD2 3.95Å; M197-Y208 HydrophobicContact CG-CE1 4.35Å; M197-Y208 HydrophobicContact CG-CE2 3.49Å; M197-Y208 VanDerWaalsContact CG-CE2 3.49Å; M197-Y208 PolarHBondContact N-O 3.48Å; M197-Y208 VanDerWaalsContact N-O 3.13Å; M197-F210 HydrophobicContact CG-CD2 4.43Å; M197-F210 HydrophobicContact CG-CE2 4.33Å
198	M	94.4	Very high	93.1	Very high	13 Å²	13	26 Å²	26	6%	0.064	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	150	-179.9	-53.4	-54.9	-69.4	0	0	111.1	G143 R145 Y177 L196 G203 N205 R206	G143-M198 PolarHBondContact O-N 3.5Å; R145-M198 HydrophobicContact CG-CG 3.84Å; R145-M198 HydrophobicContact CG-SD 3.88Å; Y177-M198 HydrophobicContact CE1-CE 3.94Å; L196-M198 HydrophobicContact CD2-SD 4.22Å; L196-M198 HydrophobicContact CG-SD 4.09Å; M198-G203 WeakPolarHBondContact CE-O 3.35Å; M198-N205 HydrophobicContact CE-CB 4.45Å; M198-N205 HydrophobicContact SD-CB 4Å; M198-R206 VanDerWaalsContact C-CD 3.43Å; M198-R206 WeakPolarHBondContact O-CD 3.48Å
199	D	91	Very high	93.2	Very high	38 Å²	38	25.6 Å²	25.6	20%	0.203	14%	0.14	C	C	.	.			trans	-91.9	114.2	168.1	172.3	34.9	0	0	0	108.7	L201 S202 G203 Q204 R206	D199-L201 PolarHBondContact O-N 3.18Å; D199-L201 VanDerWaalsContact O-N 3.13Å; D199-L201 PolarHBondContact OD1-N 3.28Å; D199-S202 PolarHBondContact O-N 3.31Å; D199-S202 WeakPolarHBondContact OD2-CB 2.93Å; D199-S202 PolarHBondContact OD2-N 2.98Å; D199-S202 PolarHBondContact OD2-OG 3.26Å; D199-G203 WeakPolarHBondContact O-CA 3.35Å; D199-G203 PolarHBondContact O-N 2.95Å; D199-Q204 PolarHBondContact N-O 3.22Å; D199-R206 HydrophobicContact CB-CG 3.72Å
200	P	87.9	Confident	93.3	Very high	44 Å²	44	27.7 Å²	27.7	29%	0.286	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-27.7	-179.5	-19.4	29	0	0	0	113.3	T104 T142	T104-P200 HydrophobicContact CG2-CB 4.11Å; T104-P200 WeakPolarHBondContact CG2-O 3.45Å; T104-P200 WeakPolarHBondContact OG1-CB 3.3Å; T142-P200 WeakPolarHBondContact O-CA 3.31Å; T142-P200 WeakPolarHBondContact O-CB 3.24Å; T142-P200 VanDerWaalsContact O-CG 3.29Å; T142-P200 WeakPolarHBondContact O-CG 3.39Å
201	L	87.2	Confident	93.4	Very high	20 Å²	20	26.2 Å²	26.2	11%	0.105	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-45.2	-175	-68.9	168.3	0	0	0	113.3	T104 Q107 R108 D199	T104-L201 HydrophobicContact CG2-CD2 4.17Å; Q107-L201 HydrophobicContact CB-CD2 4.41Å; Q107-L201 HydrophobicContact CG-CD2 4.23Å; R108-L201 HydrophobicContact CB-CD2 4.15Å; R108-L201 PolarHBondContact NH2-O 2.66Å; D199-L201 PolarHBondContact O-N 3.18Å; D199-L201 VanDerWaalsContact O-N 3.13Å; D199-L201 PolarHBondContact OD1-N 3.28Å
202	S	85.4	Confident	93.3	Very high	27 Å²	27	26.3 Å²	26.3	19%	0.189	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-10.8	-177.6	60.2	0	0	0	0	114.9	D199 Q204	D199-S202 PolarHBondContact O-N 3.31Å; D199-S202 WeakPolarHBondContact OD2-CB 2.93Å; D199-S202 PolarHBondContact OD2-N 2.98Å; D199-S202 PolarHBondContact OD2-OG 3.26Å; S202-Q204 PolarHBondContact O-N 3.41Å; S202-Q204 VanDerWaalsContact O-N 3.1Å
203	G	84.5	Confident	93.3	Very high	45 Å²	45	25.2 Å²	25.2	46%	0.464	13%	0.134	S	C	.	.	S	Bend	trans	73.8	-11.4	-178.1	0	0	0	0	0	115	M198 D199	M198-G203 WeakPolarHBondContact CE-O 3.35Å; D199-G203 WeakPolarHBondContact O-CA 3.35Å; D199-G203 PolarHBondContact O-N 2.95Å
204	Q	89.8	Confident	93.2	Very high	41 Å²	41	25.1 Å²	25.1	19%	0.192	13%	0.134	C	C	.	.	S	Bend	trans	-78.2	165.4	177.4	-65.5	-175.7	-17.2	0	0	112.6	T119 D199 S202	T119-Q204 PolarHBondContact OG1-NE2 2.66Å; D199-Q204 PolarHBondContact N-O 3.22Å; S202-Q204 PolarHBondContact O-N 3.41Å; S202-Q204 VanDerWaalsContact O-N 3.1Å
205	N	93	Very high	92.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	158.7	164.7	80.2	54.4	0	0	0	111.1	P173 R174 L176 L196 M197 M198 G207	P173-N205 PolarHBondContact O-ND2 2.78Å; R174-N205 WeakPolarHBondContact CD-O 3.47Å; R174-N205 PolarHBondContact NH1-O 2.99Å; R174-N205 PolarHBondContact O-ND2 2.73Å; L176-N205 PolarHBondContact O-ND2 3.46Å; L196-N205 HydrophobicContact CD1-CB 3.82Å; L196-N205 HydrophobicContact CD2-CB 4.07Å; L196-N205 HydrophobicContact CG-CB 3.93Å; M197-N205 CarbonylContact O-C 3.34Å; M197-N205 WeakPolarHBondContact O-CA 3.43Å; M198-N205 HydrophobicContact CE-CB 4.45Å; M198-N205 HydrophobicContact SD-CB 4Å; N205-G207 VanDerWaalsContact C-N 3.34Å; N205-G207 WeakPolarHBondContact OD1-CA 3.14Å; N205-G207 PolarHBondContact OD1-N 2.89Å
206	R	93.7	Very high	92.7	Very high	116 Å²	116	25.8 Å²	25.8	44%	0.438	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	13.4	-178.3	-75.3	172.7	61.5	-163.8	-5.3	114.2	M197 M198 D199 Y208	M197-R206 HydrophobicContact CB-CB 4.35Å; M197-R206 WeakPolarHBondContact O-CB 3Å; M197-R206 PolarHBondContact O-N 3.22Å; M198-R206 VanDerWaalsContact C-CD 3.43Å; M198-R206 WeakPolarHBondContact O-CD 3.48Å; D199-R206 HydrophobicContact CB-CG 3.72Å; R206-Y208 VanDerWaalsContact C-N 3.27Å; R206-Y208 HydrophobicContact CB-CD1 3.86Å; R206-Y208 HydrophobicContact CB-CE1 3.7Å; R206-Y208 VanDerWaalsContact CZ-OH 3.31Å; R206-Y208 PolarHBondContact NH1-OH 2.75Å; R206-Y208 PolarHBondContact NH2-OH 3.39Å; R206-Y208 VanDerWaalsContact NH2-OH 3.13Å; R206-Y208 PolarHBondContact O-N 3.04Å
207	G	95	Very high	92.5	Very high	15 Å²	15	28.9 Å²	28.9	16%	0.155	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	74.1	13.3	-173.8	0	0	0	0	0	114.8	G170 K171 I172 N205	G170-G207 CarbonylContact C-O 3.6Å; K171-G207 PolarHBondContact N-O 2.98Å; I172-G207 PolarHBondContact N-O 3.16Å; I172-G207 VanDerWaalsContact O-CA 3.27Å; I172-G207 WeakPolarHBondContact O-CA 3.35Å; N205-G207 VanDerWaalsContact C-N 3.34Å; N205-G207 WeakPolarHBondContact OD1-CA 3.14Å; N205-G207 PolarHBondContact OD1-N 2.89Å
208	Y	96.8	Very high	92.5	Very high	50 Å²	50	28.1 Å²	28.1	20%	0.196	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	156	173.3	75.4	-76.9	0	0	0	114.7	F168 V169 M197 R206 F210	F168-Y208 HydrophobicContact CD2-CD2 4.17Å; F168-Y208 AromaticContact CE2-CD2 3.53Å; F168-Y208 HydrophobicContact CE2-CD2 3.53Å; F168-Y208 HydrophobicContact CE2-CE2 4.38Å; F168-Y208 AromaticContact CE2-CG 3.91Å; F168-Y208 HydrophobicContact CE2-CG 3.91Å; F168-Y208 HydrophobicContact CZ-CD2 4.44Å; F168-Y208 HydrophobicContact CZ-CG 4.41Å; V169-Y208 CarbonylContact O-C 2.79Å; V169-Y208 WeakPolarHBondContact O-CA 3.37Å; V169-Y208 VanDerWaalsContact O-CB 3.32Å; V169-Y208 WeakPolarHBondContact O-CB 3.18Å; M197-Y208 HydrophobicContact CB-CD1 4.37Å; M197-Y208 HydrophobicContact CB-CD2 4.37Å; M197-Y208 HydrophobicContact CB-CE1 4Å; M197-Y208 HydrophobicContact CB-CE2 4.05Å; M197-Y208 WeakPolarHBondContact CB-O 3.42Å; M197-Y208 HydrophobicContact CG-CD2 3.95Å; M197-Y208 HydrophobicContact CG-CE1 4.35Å; M197-Y208 HydrophobicContact CG-CE2 3.49Å; M197-Y208 VanDerWaalsContact CG-CE2 3.49Å; M197-Y208 PolarHBondContact N-O 3.48Å; M197-Y208 VanDerWaalsContact N-O 3.13Å; R206-Y208 VanDerWaalsContact C-N 3.27Å; R206-Y208 HydrophobicContact CB-CD1 3.86Å; R206-Y208 HydrophobicContact CB-CE1 3.7Å; R206-Y208 VanDerWaalsContact CZ-OH 3.31Å; R206-Y208 PolarHBondContact NH1-OH 2.75Å; R206-Y208 PolarHBondContact NH2-OH 3.39Å; R206-Y208 VanDerWaalsContact NH2-OH 3.13Å; R206-Y208 PolarHBondContact O-N 3.04Å; Y208-F210 HydrophobicContact CD2-CE2 4.13Å; Y208-F210 HydrophobicContact CD2-CZ 4.41Å; Y208-F210 AromaticContact CE2-CE2 3.75Å; Y208-F210 HydrophobicContact CE2-CE2 3.75Å; Y208-F210 HydrophobicContact CE2-CZ 4.11Å
209	A	97	Very high	92.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	163.2	176.3	0	0	0	0	0	110.6	V169 I172 R195 L196	V169-A209 PolarHBondContact N-O 3.36Å; V169-A209 PolarHBondContact O-N 3.21Å; I172-A209 HydrophobicContact CD1-CB 3.63Å; R195-A209 VanDerWaalsContact O-CA 3.32Å; R195-A209 WeakPolarHBondContact O-CA 3.36Å; L196-A209 HydrophobicContact CB-CB 4.45Å; L196-A209 HydrophobicContact CD1-CB 3.94Å
210	F	95.8	Very high	92.5	Very high	49 Å²	49	28.5 Å²	28.5	22%	0.215	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	139	163.3	-61.4	-84.7	0	0	0	108.8	E166 V167 F168 L194 R195 M197 Y208	E166-F210 HydrophobicContact CG-CB 4.21Å; E166-F210 HydrophobicContact CG-CD1 4.5Å; E166-F210 VanDerWaalsContact OE1-CD1 3.28Å; E166-F210 WeakPolarHBondContact OE1-CD1 3.31Å; V167-F210 WeakPolarHBondContact O-CA 3.35Å; F168-F210 HydrophobicContact CB-CD1 4.42Å; F168-F210 HydrophobicContact CB-CE1 4.34Å; F168-F210 HydrophobicContact CD2-CD1 4.42Å; F168-F210 AromaticContact CD2-CE1 3.87Å; F168-F210 HydrophobicContact CD2-CE1 3.87Å; F168-F210 HydrophobicContact CD2-CZ 4.2Å; L194-F210 CarbonylContact C-O 3.5Å; L194-F210 WeakPolarHBondContact CA-O 3.29Å; R195-F210 PolarHBondContact N-O 2.8Å; R195-F210 PolarHBondContact O-N 2.94Å; M197-F210 HydrophobicContact CG-CD2 4.43Å; M197-F210 HydrophobicContact CG-CE2 4.33Å; Y208-F210 HydrophobicContact CD2-CE2 4.13Å; Y208-F210 HydrophobicContact CD2-CZ 4.41Å; Y208-F210 AromaticContact CE2-CE2 3.75Å; Y208-F210 HydrophobicContact CE2-CE2 3.75Å; Y208-F210 HydrophobicContact CE2-CZ 4.11Å
211	I	96.7	Very high	92.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	109.4	175.4	-56.3	178.6	0	0	0	107.8	E166 V167 V169 F185 I191 D193 L194 F213	E166-I211 CarbonylContact C-O 3.41Å; E166-I211 WeakPolarHBondContact CA-O 3.4Å; V167-I211 HydrophobicContact CG2-CB 3.83Å; V167-I211 PolarHBondContact N-O 3.49Å; V167-I211 PolarHBondContact O-N 3.04Å; V169-I211 HydrophobicContact CG2-CD1 3.8Å; V169-I211 HydrophobicContact CG2-CG1 4.14Å; F185-I211 HydrophobicContact CB-CD1 3.84Å; F185-I211 HydrophobicContact CD1-CD1 3.8Å; F185-I211 HydrophobicContact CD2-CD1 3.33Å; F185-I211 HydrophobicContact CE1-CD1 4.19Å; F185-I211 HydrophobicContact CE2-CD1 3.78Å; F185-I211 HydrophobicContact CG-CD1 3.35Å; F185-I211 HydrophobicContact CZ-CD1 4.19Å; I191-I211 HydrophobicContact CD1-CG2 4.16Å; I191-I211 HydrophobicContact CG1-CG2 4.04Å; I191-I211 HydrophobicContact CG2-CG2 3.89Å; D193-I211 CarbonylContact O-C 3.56Å; D193-I211 WeakPolarHBondContact O-CA 3.05Å; L194-I211 HydrophobicContact CB-CG1 4.18Å; L194-I211 HydrophobicContact CD1-CD1 3.7Å; L194-I211 HydrophobicContact CD1-CG1 3.86Å; L194-I211 HydrophobicContact CG-CD1 4.3Å; L194-I211 HydrophobicContact CG-CG1 3.88Å; I211-F213 HydrophobicContact CB-CE2 4.39Å; I211-F213 HydrophobicContact CG2-CD2 4.2Å; I211-F213 HydrophobicContact CG2-CE2 3.81Å; I211-F213 HydrophobicContact CG2-CZ 4.04Å
212	T	94.8	Very high	93.3	Very high	4 Å²	4	27.6 Å²	27.6	3%	0.025	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	118.2	171.1	-55.1	0	0	0	0	107.9	P161 E166 W192 D193 R195	P161-T212 HydrophobicContact CB-CG2 3.68Å; P161-T212 HydrophobicContact CG-CG2 3.96Å; E166-T212 PolarHBondContact OE2-OG1 3.44Å; E166-T212 VanDerWaalsContact OE2-OG1 3.14Å; W192-T212 WeakPolarHBondContact CA-O 3.44Å; W192-T212 HydrophobicContact CB-CG2 4.15Å; W192-T212 WeakPolarHBondContact CB-O 3.48Å; W192-T212 HydrophobicContact CG-CG2 4.32Å; W192-T212 PolarHBondContact N-O 3.39Å; D193-T212 PolarHBondContact N-O 3.29Å; D193-T212 VanDerWaalsContact N-O 3.14Å; D193-T212 PolarHBondContact O-N 3.45Å; D193-T212 WeakPolarHBondContact OD1-CB 3.45Å; D193-T212 PolarHBondContact OD1-OG1 3.04Å; R195-T212 PolarHBondContact NH1-OG1 3.48Å; R195-T212 VanDerWaalsContact NH1-OG1 3.14Å
213	F	96.2	Very high	93.7	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	154.7	172.2	-76.1	-85.8	0	0	0	111	P161 T165 V167 F185 A188 I191 I211 G215 A218 A219 A222	P161-F213 WeakPolarHBondContact CB-O 3.28Å; P161-F213 WeakPolarHBondContact CG-O 3.44Å; T165-F213 PolarHBondContact O-N 2.89Å; V167-F213 HydrophobicContact CG1-CE2 4.36Å; V167-F213 HydrophobicContact CG2-CD2 4.43Å; V167-F213 HydrophobicContact CG2-CE2 3.83Å; F185-F213 HydrophobicContact CB-CZ 4.07Å; F185-F213 HydrophobicContact CD1-CZ 4.08Å; F185-F213 WeakPolarHBondContact O-CE1 3.37Å; A188-F213 HydrophobicContact CB-CE1 4.35Å; A188-F213 HydrophobicContact CB-CZ 4.35Å; I191-F213 HydrophobicContact CG1-CD1 4.21Å; I191-F213 HydrophobicContact CG1-CE1 3.84Å; I191-F213 HydrophobicContact CG1-CZ 4.45Å; I211-F213 HydrophobicContact CB-CE2 4.39Å; I211-F213 HydrophobicContact CG2-CD2 4.2Å; I211-F213 HydrophobicContact CG2-CE2 3.81Å; I211-F213 HydrophobicContact CG2-CZ 4.04Å; F213-G215 PolarHBondContact O-N 2.88Å; F213-A218 HydrophobicContact CB-CB 4.02Å; F213-A218 HydrophobicContact CD1-CB 3.85Å; F213-A218 HydrophobicContact CG-CB 4.03Å; F213-A219 HydrophobicContact CD2-CB 4.1Å; F213-A222 HydrophobicContact CD2-CB 4.45Å; F213-A222 HydrophobicContact CE2-CB 3.45Å; F213-A222 VanDerWaalsContact CE2-CB 3.45Å; F213-A222 HydrophobicContact CZ-CB 3.52Å
214	C	93.9	Very high	94.1	Very high	3 Å²	3	33.8 Å²	33.8	2%	0.02	16%	0.155	C	C	.	.	S	Bend	trans	-66.8	1.4	172.2	-50.9	0	0	0	0	113.9	Y156 P190	Y156-C214 HydrophobicContact CD1-CB 4.04Å; Y156-C214 HydrophobicContact CD2-CB 3.56Å; Y156-C214 HydrophobicContact CE1-CB 4.25Å; Y156-C214 HydrophobicContact CE2-CB 3.79Å; Y156-C214 HydrophobicContact CG-CB 3.68Å; Y156-C214 VanDerWaalsContact CG-SG 3.58Å; P190-C214 HydrophobicContact CB-CB 4.31Å; P190-C214 HydrophobicContact CG-CB 4.04Å; P190-C214 PolarHBondContact O-N 2.82Å; P190-C214 PolarHBondContact O-SG 2.81Å
215	G	91	Very high	94.3	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.01	17%	0.165	C	C	.	.	S	Bend	trans	-166.6	147.1	176.4	0	0	0	0	0	116.6	F213 E217 A218 A219 G537 P538	F213-G215 PolarHBondContact O-N 2.88Å; G215-E217 PolarHBondContact O-N 3.14Å; G215-A218 WeakPolarHBondContact O-CB 3.36Å; G215-A218 PolarHBondContact O-N 3.21Å; G215-A219 PolarHBondContact O-N 3.14Å; G215-A219 VanDerWaalsContact O-N 3.16Å; G215-G537 CarbonylContact C-O 3.59Å; G215-G537 WeakPolarHBondContact CA-O 3.45Å; G215-P538 WeakPolarHBondContact CA-O 3.07Å
216	K	90.5	Very high	94.4	Very high	57 Å²	57	35.6 Å²	35.6	25%	0.248	17%	0.165	C	C	.	.	H	α-helix	trans	-62.9	-37.4	-175.5	173.3	162.5	179	170.7	0	115.8	G164 T165 A218 A219 Q220 G537 P538	G164-K216 VanDerWaalsContact O-CG 3.3Å; G164-K216 WeakPolarHBondContact O-CG 3.21Å; T165-K216 HydrophobicContact CG2-CB 4.14Å; K216-A218 VanDerWaalsContact C-N 3.28Å; K216-A218 PolarHBondContact O-N 2.67Å; K216-A219 WeakPolarHBondContact O-CB 3.33Å; K216-A219 PolarHBondContact O-N 3.08Å; K216-Q220 WeakPolarHBondContact O-CG 3.5Å; K216-Q220 PolarHBondContact O-N 2.62Å; K216-G537 PolarHBondContact N-O 3.45Å; K216-P538 HydrophobicContact CB-CB 3.91Å; K216-P538 HydrophobicContact CB-CG 4Å
217	E	92.2	Very high	94.3	Very high	65 Å²	65	33.8 Å²	33.8	30%	0.304	16%	0.164	S	C	.	.	H	α-helix	trans	-69.9	-24.8	171.6	-64.9	166.2	-126.1	0	0	112.5	G215 Q220 E221 P539 R540	G215-E217 PolarHBondContact O-N 3.14Å; E217-Q220 PolarHBondContact O-N 3.33Å; E217-E221 WeakPolarHBondContact O-CB 3.39Å; E217-E221 PolarHBondContact O-N 2.92Å; E217-P539 HydrophobicContact CB-CB 3.58Å; E217-P539 HydrophobicContact CB-CG 3.4Å; E217-P539 HydrophobicContact CG-CB 4.19Å; E217-P539 HydrophobicContact CG-CG 3.44Å; E217-P539 VanDerWaalsContact CG-CG 3.44Å; E217-P539 VanDerWaalsContact N-CB 3.31Å; E217-P539 WeakPolarHBondContact OE1-CG 3.42Å; E217-R540 HydrophobicContact CB-CG 4.23Å; E217-R540 WeakPolarHBondContact OE2-CD 3.29Å; E217-R540 IonicContact OE2-CZ 3.22Å; E217-R540 VanDerWaalsContact OE2-CZ 3.31Å; E217-R540 IonicContact OE2-NE 2.98Å; E217-R540 IonicContact OE2-NH1 3.31Å; E217-R540 PolarHBondContact OE2-NH1 2.67Å
218	A	95.3	Very high	94.2	Very high	2 Å²	2	36.7 Å²	36.7	2%	0.017	18%	0.182	C	C	.	.	H	α-helix	trans	-70.8	-35.9	172.4	0	0	0	0	0	111	A188 F213 G215 K216 E221 A222	A188-A218 WeakPolarHBondContact O-CB 3.38Å; F213-A218 HydrophobicContact CB-CB 4.02Å; F213-A218 HydrophobicContact CD1-CB 3.85Å; F213-A218 HydrophobicContact CG-CB 4.03Å; G215-A218 WeakPolarHBondContact O-CB 3.36Å; G215-A218 PolarHBondContact O-N 3.21Å; K216-A218 VanDerWaalsContact C-N 3.28Å; K216-A218 PolarHBondContact O-N 2.67Å; A218-E221 PolarHBondContact O-N 2.89Å; A218-A222 VanDerWaalsContact O-CB 3.29Å; A218-A222 WeakPolarHBondContact O-CB 3.44Å; A218-A222 PolarHBondContact O-N 2.66Å
219	A	93.9	Very high	94	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.6	-43.4	168.2	0	0	0	0	0	112.3	V167 F213 G215 K216 A222 V223 I241	V167-A219 HydrophobicContact CG1-CB 3.81Å; V167-A219 WeakPolarHBondContact CG1-O 3.28Å; F213-A219 HydrophobicContact CD2-CB 4.1Å; G215-A219 PolarHBondContact O-N 3.14Å; G215-A219 VanDerWaalsContact O-N 3.16Å; K216-A219 WeakPolarHBondContact O-CB 3.33Å; K216-A219 PolarHBondContact O-N 3.08Å; A219-A222 PolarHBondContact O-N 2.73Å; A219-V223 WeakPolarHBondContact O-CG2 3.2Å; A219-V223 PolarHBondContact O-N 3.49Å; A219-I241 HydrophobicContact CB-CD1 4.05Å
220	Q	92.6	Very high	93.9	Very high	60 Å²	60	43.3 Å²	43.3	28%	0.28	21%	0.212	S	C	.	.	H	α-helix	trans	-67.2	-35.2	174.7	-68.8	174.7	-26.8	0	0	113	K216 E217 V223 K224 I241	K216-Q220 WeakPolarHBondContact O-CG 3.5Å; K216-Q220 PolarHBondContact O-N 2.62Å; E217-Q220 PolarHBondContact O-N 3.33Å; Q220-V223 PolarHBondContact O-N 2.84Å; Q220-K224 VanDerWaalsContact O-CG 3.28Å; Q220-K224 WeakPolarHBondContact O-CG 3.02Å; Q220-K224 PolarHBondContact O-N 2.67Å; Q220-I241 HydrophobicContact CG-CD1 4.15Å
221	E	94.6	Very high	93.8	Very high	44 Å²	44	42.2 Å²	42.2	21%	0.206	21%	0.208	C	C	.	.	H	α-helix	trans	-71.6	-34.6	176.1	-166.2	158.3	142.5	0	0	110.7	A188 E217 A218 K224 L225 R540	A188-E221 HydrophobicContact CB-CB 4.36Å; A188-E221 HydrophobicContact CB-CG 4.46Å; E217-E221 WeakPolarHBondContact O-CB 3.39Å; E217-E221 PolarHBondContact O-N 2.92Å; A218-E221 PolarHBondContact O-N 2.89Å; E221-K224 CarbonylContact O-C 3.53Å; E221-K224 PolarHBondContact O-N 3.04Å; E221-L225 WeakPolarHBondContact O-CB 3.48Å; E221-L225 PolarHBondContact O-N 3.31Å; E221-R540 IonicContact OE2-CZ 2.96Å; E221-R540 VanDerWaalsContact OE2-CZ 3.29Å; E221-R540 IonicContact OE2-NE 2.79Å; E221-R540 PolarHBondContact OE2-NE 3.38Å; E221-R540 IonicContact OE2-NH2 2.78Å; E221-R540 PolarHBondContact OE2-NH2 2.64Å
222	A	96.1	Very high	93.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-64.7	-40.9	171.1	0	0	0	0	0	112.5	V167 F185 A188 F213 A218 A219 L225 C226	V167-A222 HydrophobicContact CG1-CB 4.37Å; F185-A222 HydrophobicContact CD1-CB 4.03Å; F185-A222 HydrophobicContact CE1-CB 4.32Å; A188-A222 HydrophobicContact CB-CB 3.76Å; F213-A222 HydrophobicContact CD2-CB 4.45Å; F213-A222 HydrophobicContact CE2-CB 3.45Å; F213-A222 VanDerWaalsContact CE2-CB 3.45Å; F213-A222 HydrophobicContact CZ-CB 3.52Å; A218-A222 VanDerWaalsContact O-CB 3.29Å; A218-A222 WeakPolarHBondContact O-CB 3.44Å; A218-A222 PolarHBondContact O-N 2.66Å; A219-A222 PolarHBondContact O-N 2.73Å; A222-L225 PolarHBondContact O-N 2.76Å; A222-C226 WeakPolarHBondContact O-CA 3.37Å; A222-C226 VanDerWaalsContact O-CB 3.23Å; A222-C226 WeakPolarHBondContact O-CB 3.46Å; A222-C226 PolarHBondContact O-N 3.43Å
223	V	94.5	Very high	93.5	Very high	38 Å²	38	50.8 Å²	50.8	23%	0.23	26%	0.255	C	S	.	.	H	α-helix	trans	-60.2	-46.7	170.5	172.7	0	0	0	0	110.5	V167 A219 Q220 L225 D227 V239 I241	V167-V223 HydrophobicContact CG1-CG2 4.03Å; A219-V223 WeakPolarHBondContact O-CG2 3.2Å; A219-V223 PolarHBondContact O-N 3.49Å; Q220-V223 PolarHBondContact O-N 2.84Å; V223-L225 VanDerWaalsContact C-N 3.33Å; V223-L225 PolarHBondContact O-N 3.09Å; V223-D227 WeakPolarHBondContact O-CB 3.16Å; V223-D227 PolarHBondContact O-N 3.03Å; V223-V239 HydrophobicContact CG2-CG1 4.08Å; V223-I241 HydrophobicContact CG2-CD1 3.83Å; V223-I241 HydrophobicContact CG2-CG1 4.21Å
224	K	93.3	Very high	93.4	Very high	165 Å²	165	53.4 Å²	53.4	72%	0.717	28%	0.283	S	S	*	.	H	α-helix	trans	-69	-24.5	-178.9	-71.3	168.1	-178.6	175.8	0	114.7	Q220 E221	Q220-K224 VanDerWaalsContact O-CG 3.28Å; Q220-K224 WeakPolarHBondContact O-CG 3.02Å; Q220-K224 PolarHBondContact O-N 2.67Å; E221-K224 CarbonylContact O-C 3.53Å; E221-K224 PolarHBondContact O-N 3.04Å
225	L	93.2	Very high	93.4	Very high	79 Å²	79	57.6 Å²	57.6	41%	0.414	30%	0.301	S	S	.	.	H	α-helix	trans	-103.1	-28.7	-175	-176.6	63.7	0	0	0	113.6	K187 A188 E221 A222 V223	K187-L225 HydrophobicContact CB-CD2 3.86Å; A188-L225 HydrophobicContact CB-CD2 4.4Å; E221-L225 WeakPolarHBondContact O-CB 3.48Å; E221-L225 PolarHBondContact O-N 3.31Å; A222-L225 PolarHBondContact O-N 2.76Å; V223-L225 VanDerWaalsContact C-N 3.33Å; V223-L225 PolarHBondContact O-N 3.09Å
226	C	94.9	Very high	93.5	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-120.9	-10.5	-169	-55.5	0	0	0	0	114.2	F185 A222 Y229 V239	F185-C226 HydrophobicContact CD1-CB 4.24Å; F185-C226 HydrophobicContact CE1-CB 3.52Å; F185-C226 HydrophobicContact CZ-CB 3.76Å; A222-C226 WeakPolarHBondContact O-CA 3.37Å; A222-C226 VanDerWaalsContact O-CB 3.23Å; A222-C226 WeakPolarHBondContact O-CB 3.46Å; A222-C226 PolarHBondContact O-N 3.43Å; C226-Y229 VanDerWaalsContact O-CB 3.27Å; C226-Y229 WeakPolarHBondContact O-CB 3.15Å; C226-Y229 PolarHBondContact O-N 3.34Å; C226-V239 HydrophobicContact CB-CG2 3.99Å; C226-V239 VanDerWaalsContact O-CG2 3.3Å; C226-V239 WeakPolarHBondContact O-CG2 3.23Å
227	D	92.9	Very high	93.8	Very high	78 Å²	78	58.6 Å²	58.6	42%	0.417	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	139.9	167	-171.6	48.9	0	0	0	110.5	V223 Y229 G238 V239	V223-D227 WeakPolarHBondContact O-CB 3.16Å; V223-D227 PolarHBondContact O-N 3.03Å; D227-Y229 PolarHBondContact O-N 3.18Å; D227-Y229 VanDerWaalsContact O-N 3.1Å; D227-G238 WeakPolarHBondContact OD1-CA 3.03Å; D227-V239 HydrophobicContact CB-CB 4.03Å; D227-V239 PolarHBondContact OD1-N 3.24Å
228	S	92.4	Very high	93.9	Very high	75 Å²	75	56.2 Å²	56.2	52%	0.524	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	20	-172	-55.7	0	0	0	0	114.8	E230 H236 L237	S228-E230 PolarHBondContact O-N 3.49Å; S228-H236 PolarHBondContact O-CD2 3.46Å; S228-L237 VanDerWaalsContact CA-O 3.25Å; S228-L237 WeakPolarHBondContact CA-O 3.41Å; S228-L237 PolarHBondContact N-O 3.32Å
229	Y	93.2	Very high	93.9	Very high	89 Å²	89	56.4 Å²	56.4	35%	0.349	30%	0.3	S	S	.	.			trans	-72.7	123.9	175.7	-177.8	-82	0	0	0	111.2	L184 C226 D227 I231 H236 L237	L184-Y229 HydrophobicContact CD1-CD1 4.19Å; L184-Y229 HydrophobicContact CD1-CD2 4.07Å; L184-Y229 HydrophobicContact CD1-CE1 3.95Å; L184-Y229 HydrophobicContact CD1-CE2 3.81Å; L184-Y229 HydrophobicContact CD1-CG 4.26Å; L184-Y229 HydrophobicContact CD2-CD1 3.78Å; L184-Y229 HydrophobicContact CD2-CE1 4.01Å; L184-Y229 HydrophobicContact CD2-CG 4.27Å; C226-Y229 VanDerWaalsContact O-CB 3.27Å; C226-Y229 WeakPolarHBondContact O-CB 3.15Å; C226-Y229 PolarHBondContact O-N 3.34Å; D227-Y229 PolarHBondContact O-N 3.18Å; D227-Y229 VanDerWaalsContact O-N 3.1Å; Y229-I231 HydrophobicContact CD1-CB 4.26Å; Y229-I231 HydrophobicContact CE1-CB 4.36Å; Y229-I231 HydrophobicContact CE1-CD1 3.99Å; Y229-I231 PolarHBondContact O-N 2.83Å; Y229-H236 CarbonylContact O-C 2.74Å; Y229-H236 WeakPolarHBondContact O-CA 2.99Å; Y229-L237 PolarHBondContact O-N 3.29Å
230	E	94.3	Very high	93.8	Very high	101 Å²	101	59.3 Å²	59.3	47%	0.472	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	111.3	175.6	-169.7	177.6	-148.2	0	0	111.1	S228 R232 P233 G234	S228-E230 PolarHBondContact O-N 3.49Å; E230-R232 WeakPolarHBondContact CG-O 3.49Å; E230-P233 VanDerWaalsContact OE1-CA 3.29Å; E230-P233 WeakPolarHBondContact OE1-CA 3.2Å; E230-G234 PolarHBondContact OE1-N 2.78Å
231	I	93.6	Very high	93.7	Very high	26 Å²	26	59.5 Å²	59.5	13%	0.133	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-16.4	-177.7	-169.2	58.3	0	0	0	113.2	P173 L176 Y229 K235 L237	P173-I231 HydrophobicContact CG-CG2 3.67Å; L176-I231 HydrophobicContact CD1-CD1 4.21Å; L176-I231 HydrophobicContact CD1-CG1 3.61Å; L176-I231 HydrophobicContact CD2-CG1 3.73Å; L176-I231 HydrophobicContact CD2-CG2 4.49Å; L176-I231 HydrophobicContact CG-CG1 4.35Å; Y229-I231 HydrophobicContact CD1-CB 4.26Å; Y229-I231 HydrophobicContact CE1-CB 4.36Å; Y229-I231 HydrophobicContact CE1-CD1 3.99Å; Y229-I231 PolarHBondContact O-N 2.83Å; I231-K235 WeakPolarHBondContact CG2-O 3.49Å; I231-K235 PolarHBondContact N-O 3.41Å; I231-L237 HydrophobicContact CB-CD1 4.33Å; I231-L237 HydrophobicContact CB-CG 4.2Å; I231-L237 HydrophobicContact CG2-CD1 4.44Å; I231-L237 HydrophobicContact CG2-CD2 3.85Å; I231-L237 HydrophobicContact CG2-CG 3.86Å
232	R	93.3	Very high	93.2	Very high	62 Å²	62	58.1 Å²	58.1	23%	0.234	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	157	166.9	-56.8	-72	-175.9	-108.7	7.1	106.8	P173 D175 E180 E230 G234 K235	P173-R232 HydrophobicContact CB-CG 4.4Å; P173-R232 HydrophobicContact CG-CG 3.97Å; D175-R232 IonicContact OD2-CZ 3.78Å; D175-R232 IonicContact OD2-NE 3.08Å; D175-R232 PolarHBondContact OD2-NE 3.03Å; D175-R232 IonicContact OD2-NH2 3.94Å; D175-R232 PolarHBondContact OD2-NH2 3.41Å; D175-R232 VanDerWaalsContact OD2-NH2 3.15Å; E180-R232 IonicContact OE1-CZ 2.73Å; E180-R232 IonicContact OE1-NH1 2.64Å; E180-R232 PolarHBondContact OE1-NH1 2.97Å; E180-R232 IonicContact OE1-NH2 2.73Å; E180-R232 PolarHBondContact OE1-NH2 3.17Å; E180-R232 IonicContact OE2-CZ 3.06Å; E180-R232 IonicContact OE2-NH1 3.76Å; E180-R232 PolarHBondContact OE2-NH1 2.63Å; E180-R232 IonicContact OE2-NH2 3.13Å; E180-R232 PolarHBondContact OE2-NH2 2.93Å; E230-R232 WeakPolarHBondContact CG-O 3.49Å; R232-G234 PolarHBondContact O-N 3.38Å; R232-G234 VanDerWaalsContact O-N 3.14Å; R232-K235 HydrophobicContact CB-CB 4Å; R232-K235 HydrophobicContact CB-CD 3.89Å; R232-K235 HydrophobicContact CB-CG 4.02Å; R232-K235 HydrophobicContact CG-CD 4.07Å; R232-K235 PolarHBondContact O-N 2.88Å
233	P	92	Very high	92.4	Very high	121 Å²	121	61.1 Å²	61.1	79%	0.786	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.1	120.6	173.7	-31.1	36.8	0	0	0	112.8	E230 K235	E230-P233 VanDerWaalsContact OE1-CA 3.29Å; E230-P233 WeakPolarHBondContact OE1-CA 3.2Å; P233-K235 PolarHBondContact O-N 2.69Å; P233-K235 VanDerWaalsContact O-N 3.09Å
234	G	93	Very high	91.5	Very high	56 Å²	56	61.1 Å²	61.1	58%	0.577	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	-16	-176.8	0	0	0	0	0	116.3	E230 R232 H236	E230-G234 PolarHBondContact OE1-N 2.78Å; R232-G234 PolarHBondContact O-N 3.38Å; R232-G234 VanDerWaalsContact O-N 3.14Å; G234-H236 PolarHBondContact O-N 2.86Å; G234-H236 PolarHBondContact O-ND1 2.84Å
235	K	94.3	Very high	90.9	Very high	91 Å²	91	56.3 Å²	56.3	40%	0.396	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	96.4	-178.7	-52.6	-173.2	-167	167.4	0	110.7	P173 D175 I231 R232 P233	P173-K235 HydrophobicContact CB-CD 3.75Å; P173-K235 HydrophobicContact CG-CB 4.25Å; P173-K235 HydrophobicContact CG-CD 3.7Å; D175-K235 IonicContact OD1-NZ 3.53Å; D175-K235 PolarHBondContact OD1-NZ 3.31Å; D175-K235 VanDerWaalsContact OD1-NZ 3.13Å; I231-K235 WeakPolarHBondContact CG2-O 3.49Å; I231-K235 PolarHBondContact N-O 3.41Å; R232-K235 HydrophobicContact CB-CB 4Å; R232-K235 HydrophobicContact CB-CD 3.89Å; R232-K235 HydrophobicContact CB-CG 4.02Å; R232-K235 HydrophobicContact CG-CD 4.07Å; R232-K235 PolarHBondContact O-N 2.88Å; P233-K235 PolarHBondContact O-N 2.69Å; P233-K235 VanDerWaalsContact O-N 3.09Å
236	H	94.4	Very high	90.7	Very high	79 Å²	79	53.2 Å²	53.2	37%	0.366	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	126.1	177.7	-59.1	75.2	0	0	0	110.4	K171 S228 Y229 G234	K171-H236 VanDerWaalsContact CB-O 3.25Å; K171-H236 WeakPolarHBondContact CB-O 3.37Å; K171-H236 WeakPolarHBondContact CD-O 3.48Å; S228-H236 PolarHBondContact O-CD2 3.46Å; Y229-H236 CarbonylContact O-C 2.74Å; Y229-H236 WeakPolarHBondContact O-CA 2.99Å; G234-H236 PolarHBondContact O-N 2.86Å; G234-H236 PolarHBondContact O-ND1 2.84Å
237	L	96.2	Very high	90.5	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.317	C	S	.	.			trans	-64.8	148.2	172.4	-64.8	178.7	0	0	0	110.7	V169 I172 L184 F185 S228 Y229 I231 V239	V169-L237 HydrophobicContact CG1-CD2 4.4Å; I172-L237 HydrophobicContact CG1-CD2 4.07Å; L184-L237 HydrophobicContact CD2-CD1 3.54Å; F185-L237 HydrophobicContact CE2-CD1 4.39Å; S228-L237 VanDerWaalsContact CA-O 3.25Å; S228-L237 WeakPolarHBondContact CA-O 3.41Å; S228-L237 PolarHBondContact N-O 3.32Å; Y229-L237 PolarHBondContact O-N 3.29Å; I231-L237 HydrophobicContact CB-CD1 4.33Å; I231-L237 HydrophobicContact CB-CG 4.2Å; I231-L237 HydrophobicContact CG2-CD1 4.44Å; I231-L237 HydrophobicContact CG2-CD2 3.85Å; I231-L237 HydrophobicContact CG2-CG 3.86Å; L237-V239 HydrophobicContact CB-CG2 4.47Å
238	G	94.3	Very high	90.6	Very high	15 Å²	15	52.8 Å²	52.8	16%	0.155	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	120.8	169.1	0	0	0	0	0	109.9	V169 G170 D227	V169-G238 CarbonylContact C-O 3.23Å; V169-G238 WeakPolarHBondContact CA-O 3.41Å; G170-G238 PolarHBondContact N-O 2.93Å; G170-G238 PolarHBondContact O-N 2.85Å; D227-G238 WeakPolarHBondContact OD1-CA 3.03Å
239	V	94.8	Very high	90.8	Very high	6 Å²	6	51.8 Å²	51.8	4%	0.036	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	124.1	-174.3	-173.4	0	0	0	0	110.4	V167 F168 V169 F185 V223 C226 D227 L237	V167-V239 HydrophobicContact CB-CG1 4.07Å; V167-V239 HydrophobicContact CG1-CG1 4.42Å; V167-V239 HydrophobicContact CG2-CG1 4.22Å; F168-V239 WeakPolarHBondContact O-CA 3.27Å; V169-V239 HydrophobicContact CG1-CG2 4.27Å; V169-V239 HydrophobicContact CG2-CG1 4.47Å; V169-V239 HydrophobicContact CG2-CG2 4.37Å; F185-V239 HydrophobicContact CE1-CG1 4.08Å; F185-V239 HydrophobicContact CE1-CG2 4.04Å; F185-V239 HydrophobicContact CZ-CG2 3.78Å; V223-V239 HydrophobicContact CG2-CG1 4.08Å; C226-V239 HydrophobicContact CB-CG2 3.99Å; C226-V239 VanDerWaalsContact O-CG2 3.3Å; C226-V239 WeakPolarHBondContact O-CG2 3.23Å; D227-V239 HydrophobicContact CB-CB 4.03Å; D227-V239 PolarHBondContact OD1-N 3.24Å; L237-V239 HydrophobicContact CB-CG2 4.47Å
240	C	91.6	Very high	90.8	Very high	61 Å²	61	47.5 Å²	47.5	41%	0.412	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	161.8	175.2	61.9	0	0	0	0	111.2	V167 F168 S242	V167-C240 CarbonylContact C-O 3.47Å; V167-C240 WeakPolarHBondContact CA-O 3.42Å; V167-C240 WeakPolarHBondContact CB-O 3.25Å; F168-C240 PolarHBondContact N-O 3.25Å; F168-C240 PolarHBondContact O-N 2.96Å; F168-C240 VanDerWaalsContact O-N 3.08Å; C240-S242 PolarHBondContact O-N 3.4Å
241	I	90.5	Very high	90.7	Very high	64 Å²	64	42.9 Å²	42.9	33%	0.328	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	129	170.1	-56	-60.8	0	0	0	108.4	V167 A219 Q220 V223	V167-I241 HydrophobicContact CG1-CD1 4.33Å; A219-I241 HydrophobicContact CB-CD1 4.05Å; Q220-I241 HydrophobicContact CG-CD1 4.15Å; V223-I241 HydrophobicContact CG2-CD1 3.83Å; V223-I241 HydrophobicContact CG2-CG1 4.21Å
242	S	84.7	Confident	90.6	Very high	14 Å²	14	44.7 Å²	44.7	10%	0.098	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-71.3	134.3	178.5	-170.4	0	0	0	0	110.2	E166 C240	E166-S242 WeakPolarHBondContact O-CB 3.32Å; E166-S242 PolarHBondContact O-N 2.92Å; E166-S242 WeakPolarHBondContact OE1-CB 3.44Å; E166-S242 PolarHBondContact OE1-OG 3.49Å; C240-S242 PolarHBondContact O-N 3.4Å
243	V	79.5	Confident	90.5	Very high	64 Å²	64	42 Å²	42	39%	0.388	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-93.2	119.8	176.4	-165.5	0	0	0	0	108.8	N245 P328	V243-N245 PolarHBondContact O-N 3.2Å; V243-P328 HydrophobicContact CB-CB 4.18Å; V243-P328 HydrophobicContact CG1-CB 3.63Å
244	A	75	Confident	90.5	Very high	38 Å²	38	37.6 Å²	37.6	31%	0.314	22%	0.222	S	C	.	.			trans	-69.4	99.8	-172.6	0	0	0	0	0	111.4	I163 N246	I163-A244 HydrophobicContact CG1-CB 4.22Å; I163-A244 HydrophobicContact CG2-CB 4.39Å; A244-N246 PolarHBondContact O-N 2.79Å
245	N	81.2	Confident	90.4	Very high	63 Å²	63	39.6 Å²	39.6	34%	0.337	22%	0.215	S	C	.	.			trans	-75.8	59.7	179.4	-73.3	-38.3	0	0	0	111.8	V243 H299 W325	V243-N245 PolarHBondContact O-N 3.2Å; N245-H299 WeakPolarHBondContact CB-ND1 3.36Å; N245-H299 WeakPolarHBondContact O-CA 3.3Å; N245-H299 PolarHBondContact O-ND1 3.18Å; N245-W325 WeakPolarHBondContact O-CZ3 3.24Å
246	N	88.6	Confident	90.1	Very high	14 Å²	14	41.2 Å²	41.2	8%	0.075	23%	0.228	C	C	.	.			trans	-96.1	-5.5	-174.7	-57.9	6.7	0	0	0	112.8	A244 Y296 D298 H299 A302	A244-N246 PolarHBondContact O-N 2.79Å; N246-Y296 PolarHBondContact O-N 3.13Å; N246-D298 VanDerWaalsContact CG-C 3.47Å; N246-D298 WeakPolarHBondContact ND2-CA 3.32Å; N246-H299 WeakPolarHBondContact OD1-CA 3.32Å; N246-H299 WeakPolarHBondContact OD1-CB 3.32Å; N246-H299 PolarHBondContact OD1-N 2.83Å; N246-A302 WeakPolarHBondContact O-CB 3.42Å
247	R	91.8	Very high	90	Very high	69 Å²	69	39.8 Å²	39.8	26%	0.26	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	134.8	-173.7	-66.4	175.9	176.8	152.7	2.2	111.1	L294 E295 A326	R247-L294 CarbonylContact C-O 3.46Å; R247-L294 WeakPolarHBondContact CA-O 3.27Å; R247-E295 HydrophobicContact CG-CB 4.19Å; R247-E295 HydrophobicContact CG-CG 4.33Å; R247-E295 IonicContact CZ-OE1 3.34Å; R247-E295 VanDerWaalsContact CZ-OE1 3.22Å; R247-E295 IonicContact CZ-OE2 3.57Å; R247-E295 VanDerWaalsContact CZ-OE2 3.31Å; R247-E295 IonicContact NE-OE1 3.05Å; R247-E295 PolarHBondContact NE-OE1 3Å; R247-E295 IonicContact NE-OE2 2.76Å; R247-E295 PolarHBondContact NE-OE2 2.91Å; R247-E295 VanDerWaalsContact NH2-CD 3.3Å; R247-E295 IonicContact NH2-OE1 2.71Å; R247-E295 PolarHBondContact NH2-OE1 2.85Å; R247-E295 IonicContact NH2-OE2 3.49Å; R247-E295 PolarHBondContact NH2-OE2 2.88Å; R247-A326 HydrophobicContact CB-CB 3.66Å; R247-A326 WeakPolarHBondContact O-CB 3.45Å; R247-A326 PolarHBondContact O-N 3.14Å
248	L	94.3	Very high	89.7	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	140.7	172	-58.8	-176.5	0	0	0	110.5	V250 F293 L294 Y296 A302 A305 R306 V323 E324 W325	L248-V250 HydrophobicContact CB-CG2 4.33Å; L248-F293 CarbonylContact O-C 3.44Å; L248-F293 WeakPolarHBondContact O-CA 3.35Å; L248-F293 WeakPolarHBondContact O-CB 3.3Å; L248-L294 HydrophobicContact CB-CB 4.42Å; L248-L294 PolarHBondContact N-O 3.16Å; L248-L294 PolarHBondContact O-N 2.8Å; L248-Y296 HydrophobicContact CD1-CE2 3.77Å; L248-Y296 HydrophobicContact CG-CD2 4.42Å; L248-Y296 HydrophobicContact CG-CE2 4.03Å; L248-A302 WeakPolarHBondContact CD1-O 3.3Å; L248-A302 HydrophobicContact CD2-CB 4.14Å; L248-A302 HydrophobicContact CG-CB 4.26Å; L248-A305 HydrophobicContact CD1-CB 3.83Å; L248-R306 HydrophobicContact CD1-CB 4.1Å; L248-R306 HydrophobicContact CD2-CB 3.98Å; L248-R306 HydrophobicContact CD2-CG 4.44Å; L248-V323 HydrophobicContact CB-CG1 4.33Å; L248-V323 HydrophobicContact CD1-CG1 3.88Å; L248-E324 WeakPolarHBondContact CA-O 3.29Å; L248-W325 HydrophobicContact CD2-CD2 4.28Å; L248-W325 HydrophobicContact CD2-CE3 3.55Å; L248-W325 HydrophobicContact CD2-CH2 4.42Å; L248-W325 HydrophobicContact CD2-CZ3 3.63Å
249	F	95.3	Very high	89.6	Confident	54 Å²	54	45.6 Å²	45.6	24%	0.237	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	134	159.8	170.9	-93.9	0	0	0	108.9	F291 F293 V323 E324	F249-F291 HydrophobicContact CD2-CD2 4.29Å; F249-F291 HydrophobicContact CE2-CB 3.57Å; F249-F291 HydrophobicContact CE2-CD1 4.49Å; F249-F291 AromaticContact CE2-CD2 3.66Å; F249-F291 HydrophobicContact CE2-CD2 3.66Å; F249-F291 HydrophobicContact CE2-CE2 4.48Å; F249-F291 AromaticContact CE2-CG 3.67Å; F249-F291 HydrophobicContact CE2-CG 3.67Å; F249-F291 HydrophobicContact CZ-CB 3.72Å; F249-F291 HydrophobicContact CZ-CG 4.18Å; F249-F293 HydrophobicContact CB-CD1 4.08Å; F249-F293 HydrophobicContact CB-CE1 3.91Å; F249-F293 HydrophobicContact CD2-CD1 4.37Å; F249-F293 AromaticContact CD2-CE1 3.8Å; F249-F293 HydrophobicContact CD2-CE1 3.8Å; F249-F293 AromaticContact CD2-CZ 3.95Å; F249-F293 HydrophobicContact CD2-CZ 3.95Å; F249-F293 HydrophobicContact CG-CE1 4.36Å; F249-V323 WeakPolarHBondContact O-CA 3.14Å; F249-E324 HydrophobicContact CB-CB 4.43Å; F249-E324 HydrophobicContact CD1-CB 4.35Å; F249-E324 PolarHBondContact N-O 2.95Å; F249-E324 PolarHBondContact O-N 2.77Å
250	V	94.2	Very high	89.5	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	110.9	176.9	-178	0	0	0	0	110.6	L248 I253 F266 F291 C292 L294 V321 T322 V323	L248-V250 HydrophobicContact CB-CG2 4.33Å; V250-I253 HydrophobicContact CG1-CG2 4.09Å; V250-F266 HydrophobicContact CG1-CE1 4.14Å; V250-F266 HydrophobicContact CG1-CE2 4.43Å; V250-F266 HydrophobicContact CG1-CZ 3.63Å; V250-F291 CarbonylContact O-C 3.54Å; V250-F291 WeakPolarHBondContact O-CA 3.48Å; V250-F291 WeakPolarHBondContact O-CB 3.35Å; V250-C292 PolarHBondContact N-O 2.98Å; V250-C292 PolarHBondContact O-N 2.83Å; V250-L294 HydrophobicContact CG2-CD1 3.64Å; V250-L294 HydrophobicContact CG2-CG 3.74Å; V250-V321 HydrophobicContact CG1-CB 3.93Å; V250-V321 HydrophobicContact CG1-CG1 4.3Å; V250-V321 HydrophobicContact CG1-CG2 4.21Å; V250-T322 CarbonylContact C-O 3.51Å; V250-T322 VanDerWaalsContact CA-O 3.31Å; V250-T322 WeakPolarHBondContact CA-O 3.19Å; V250-V323 HydrophobicContact CG1-CG2 4.23Å; V250-V323 HydrophobicContact CG2-CG1 4.26Å; V250-V323 HydrophobicContact CG2-CG2 4.09Å
251	G	92.8	Very high	89.6	Confident	3 Å²	3	50.8 Å²	50.8	3%	0.031	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	176.2	177.8	0	0	0	0	0	113.8	I253 V321 T322	G251-I253 PolarHBondContact O-N 2.69Å; G251-V321 WeakPolarHBondContact O-CA 3.45Å; G251-V321 WeakPolarHBondContact O-CB 3.43Å; G251-T322 VanDerWaalsContact CA-OG1 3.25Å; G251-T322 WeakPolarHBondContact CA-OG1 3.37Å; G251-T322 PolarHBondContact N-O 3.32Å; G251-T322 PolarHBondContact N-OG1 3.05Å; G251-T322 PolarHBondContact O-N 2.91Å; G251-T322 VanDerWaalsContact O-N 3.14Å
252	S	90.5	Very high	89.7	Confident	64 Å²	64	47.8 Å²	47.8	45%	0.448	25%	0.252	S	S	.	.	S	Bend	trans	62.4	25.5	-175.9	-55.3	0	0	0	0	114.4	G290	S252-G290 PolarHBondContact N-O 2.78Å
253	I	91.4	Very high	90.2	Very high	7 Å²	7	49.8 Å²	49.8	4%	0.036	26%	0.261	C	S	.	.			trans	-75.8	150.5	170.8	62.7	164.6	0	0	0	111	V250 G251 K255 I262 F266 L278 G290 C292 W317 V321	V250-I253 HydrophobicContact CG1-CG2 4.09Å; G251-I253 PolarHBondContact O-N 2.69Å; I253-K255 PolarHBondContact O-N 2.93Å; I253-I262 HydrophobicContact CD1-CD1 3.68Å; I253-F266 HydrophobicContact CG2-CE2 4.45Å; I253-L278 HydrophobicContact CD1-CD1 3.94Å; I253-G290 VanDerWaalsContact CG1-C 3.41Å; I253-G290 WeakPolarHBondContact CG1-O 3.43Å; I253-G290 PolarHBondContact N-O 2.86Å; I253-C292 HydrophobicContact CD1-CB 3.98Å; I253-W317 HydrophobicContact CB-CZ3 4.32Å; I253-W317 HydrophobicContact CG2-CZ3 4.28Å; I253-V321 HydrophobicContact CG2-CG1 4.26Å
254	P	91.3	Very high	90.8	Very high	27 Å²	27	52.1 Å²	52.1	18%	0.175	27%	0.268	C	S	.	.			trans	-64.8	132.9	175.7	-18.7	31.8	0	0	0	111.4	N256 K257 N288 W317	P254-N256 WeakPolarHBondContact CB-OD1 3.3Å; P254-N256 PolarHBondContact O-N 2.89Å; P254-N256 VanDerWaalsContact O-N 3.13Å; P254-K257 HydrophobicContact CB-CG 3.99Å; P254-K257 HydrophobicContact CG-CG 4.24Å; P254-K257 PolarHBondContact O-N 3.08Å; P254-N288 PolarHBondContact O-ND2 2.79Å; P254-W317 VanDerWaalsContact CD-CZ3 3.49Å; P254-W317 HydrophobicContact CG-CB 4.25Å; P254-W317 HydrophobicContact CG-CD2 4.02Å; P254-W317 HydrophobicContact CG-CE3 3.59Å; P254-W317 HydrophobicContact CG-CG 4.33Å; P254-W317 HydrophobicContact CG-CZ3 4.31Å
255	K	90.9	Very high	91.6	Very high	99 Å²	99	52.6 Å²	52.6	43%	0.43	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.6	-175.1	-68.8	-166.2	170.7	-168.9	0	115	I253 K287 N288	I253-K255 PolarHBondContact O-N 2.93Å; K255-K287 HydrophobicContact CB-CB 4.34Å; K255-K287 CarbonylContact O-C 3.6Å; K255-K287 VanDerWaalsContact O-CA 3.31Å; K255-K287 WeakPolarHBondContact O-CA 3.38Å; K255-N288 WeakPolarHBondContact CA-OD1 3.46Å; K255-N288 WeakPolarHBondContact CG-O 3.28Å; K255-N288 PolarHBondContact O-N 3.1Å; K255-N288 PolarHBondContact O-ND2 3.01Å
256	N	89.8	Confident	92.2	Very high	124 Å²	124	49.6 Å²	49.6	66%	0.663	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.2	19	-178.2	66.8	-26	0	0	0	113.7	P254	P254-N256 WeakPolarHBondContact CB-OD1 3.3Å; P254-N256 PolarHBondContact O-N 2.89Å; P254-N256 VanDerWaalsContact O-N 3.13Å
257	K	91	Very high	92.4	Very high	49 Å²	49	51.8 Å²	51.8	21%	0.213	26%	0.264	C	S	.	.			trans	-104	130.4	179.1	-68.4	-74.3	167.7	-171.5	0	111.2	P254 N261 I262 N288 W317	P254-K257 HydrophobicContact CB-CG 3.99Å; P254-K257 HydrophobicContact CG-CG 4.24Å; P254-K257 PolarHBondContact O-N 3.08Å; K257-N261 HydrophobicContact CB-CB 4.43Å; K257-N261 HydrophobicContact CD-CB 3.86Å; K257-N261 WeakPolarHBondContact CD-OD1 3.48Å; K257-N261 PolarHBondContact NZ-OD1 3.08Å; K257-I262 HydrophobicContact CB-CD1 4.31Å; K257-I262 HydrophobicContact CB-CG1 3.98Å; K257-N288 PolarHBondContact O-ND2 3.19Å; K257-W317 HydrophobicContact CD-CZ2 3.9Å; K257-W317 HydrophobicContact CG-CD2 4.47Å; K257-W317 HydrophobicContact CG-CH2 4.29Å; K257-W317 HydrophobicContact CG-CZ2 4.1Å
258	T	90.9	Very high	92.4	Very high	64 Å²	64	54 Å²	54	39%	0.393	28%	0.275	S	S	.	.			trans	-81.2	170.8	176.1	71.9	0	0	0	0	111.5	E260 N261 I262	T258-E260 VanDerWaalsContact C-N 3.29Å; T258-E260 WeakPolarHBondContact CB-OE2 3.38Å; T258-E260 PolarHBondContact O-N 2.91Å; T258-E260 PolarHBondContact OG1-OE2 3.4Å; T258-N261 PolarHBondContact O-N 3.14Å; T258-N261 PolarHBondContact OG1-N 3.43Å; T258-I262 WeakPolarHBondContact O-CD1 3.41Å; T258-I262 WeakPolarHBondContact O-CG1 3.28Å; T258-I262 PolarHBondContact O-N 3.34Å; T258-I262 VanDerWaalsContact O-N 3.08Å
259	K	91.6	Very high	92.2	Very high	74 Å²	74	55.4 Å²	55.4	32%	0.322	28%	0.284	S	S	.	.	H	α-helix	trans	-57	-41.8	178.6	169.7	173.4	175.6	141.8	0	112.1	I262 L263 D275 V276 L278	K259-I262 PolarHBondContact O-N 2.89Å; K259-L263 WeakPolarHBondContact O-CB 3.4Å; K259-L263 PolarHBondContact O-N 3.43Å; K259-D275 WeakPolarHBondContact CE-OD1 3.34Å; K259-D275 IonicContact NZ-OD1 2.62Å; K259-D275 PolarHBondContact NZ-OD1 3.13Å; K259-D275 IonicContact NZ-OD2 3.74Å; K259-D275 PolarHBondContact NZ-OD2 2.82Å; K259-V276 VanDerWaalsContact CD-O 3.28Å; K259-V276 WeakPolarHBondContact CD-O 3.23Å; K259-V276 WeakPolarHBondContact CE-O 3.46Å; K259-V276 HydrophobicContact CG-CB 4.12Å; K259-V276 HydrophobicContact CG-CG1 4.47Å; K259-V276 WeakPolarHBondContact CG-O 3.43Å; K259-V276 PolarHBondContact NZ-O 3.11Å; K259-L278 HydrophobicContact CB-CD2 4.44Å
260	E	93.2	Very high	92.1	Very high	116 Å²	116	53.1 Å²	53.1	54%	0.542	27%	0.274	S	S	.	.	H	α-helix	trans	-70.6	-44.4	-177.2	-47.6	65.3	-130.5	0	0	110.6	T258 I262 L263 E264	T258-E260 VanDerWaalsContact C-N 3.29Å; T258-E260 WeakPolarHBondContact CB-OE2 3.38Å; T258-E260 PolarHBondContact O-N 2.91Å; T258-E260 PolarHBondContact OG1-OE2 3.4Å; E260-I262 PolarHBondContact O-N 3.1Å; E260-L263 PolarHBondContact O-N 2.58Å; E260-E264 WeakPolarHBondContact O-CB 3.29Å; E260-E264 PolarHBondContact O-N 3.24Å
261	N	92.4	Very high	92	Very high	60 Å²	60	57.9 Å²	57.9	32%	0.321	30%	0.296	S	S	.	.	H	α-helix	trans	-58.5	-37.5	174.4	-93.9	-139	0	0	0	112	K257 T258 E265	K257-N261 HydrophobicContact CB-CB 4.43Å; K257-N261 HydrophobicContact CD-CB 3.86Å; K257-N261 WeakPolarHBondContact CD-OD1 3.48Å; K257-N261 PolarHBondContact NZ-OD1 3.08Å; T258-N261 PolarHBondContact O-N 3.14Å; T258-N261 PolarHBondContact OG1-N 3.43Å; N261-E265 WeakPolarHBondContact O-CB 3.45Å; N261-E265 PolarHBondContact O-N 2.88Å
262	I	93.2	Very high	91.9	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-73.2	-47.7	177.3	-64.5	162.2	0	0	0	109.8	I253 K257 T258 K259 E260 E264 E265 F266 V276 L278 L294 W317	I253-I262 HydrophobicContact CD1-CD1 3.68Å; K257-I262 HydrophobicContact CB-CD1 4.31Å; K257-I262 HydrophobicContact CB-CG1 3.98Å; T258-I262 WeakPolarHBondContact O-CD1 3.41Å; T258-I262 WeakPolarHBondContact O-CG1 3.28Å; T258-I262 PolarHBondContact O-N 3.34Å; T258-I262 VanDerWaalsContact O-N 3.08Å; K259-I262 PolarHBondContact O-N 2.89Å; E260-I262 PolarHBondContact O-N 3.1Å; I262-E264 VanDerWaalsContact C-N 3.34Å; I262-E264 PolarHBondContact O-N 3.28Å; I262-E265 PolarHBondContact O-N 3.49Å; I262-F266 HydrophobicContact CG2-CD2 3.6Å; I262-F266 HydrophobicContact CG2-CE2 3.86Å; I262-F266 WeakPolarHBondContact O-CD2 3.35Å; I262-F266 PolarHBondContact O-N 3.24Å; I262-V276 HydrophobicContact CB-CG1 4.04Å; I262-V276 HydrophobicContact CG2-CG1 3.6Å; I262-V276 HydrophobicContact CG2-CG2 4.14Å; I262-L278 HydrophobicContact CD1-CD1 3.48Å; I262-L278 VanDerWaalsContact CD1-CD1 3.48Å; I262-L278 HydrophobicContact CD1-CD2 4Å; I262-L278 HydrophobicContact CD1-CG 4.34Å; I262-L294 HydrophobicContact CG2-CD2 4.19Å; I262-W317 HydrophobicContact CB-CH2 4.4Å; I262-W317 HydrophobicContact CG1-CH2 3.89Å
263	L	94.4	Very high	92.1	Very high	56 Å²	56	57 Å²	57	29%	0.293	29%	0.294	S	S	.	.	H	α-helix	trans	-54.7	-48.4	177	178.1	64.3	0	0	0	111.8	K259 E260 S267 L273 V276	K259-L263 WeakPolarHBondContact O-CB 3.4Å; K259-L263 PolarHBondContact O-N 3.43Å; E260-L263 PolarHBondContact O-N 2.58Å; L263-S267 VanDerWaalsContact O-CB 3.23Å; L263-S267 WeakPolarHBondContact O-CB 3.28Å; L263-S267 PolarHBondContact O-N 3.01Å; L263-S267 PolarHBondContact O-OG 3.19Å; L263-L273 HydrophobicContact CD1-CD2 3.81Å; L263-L273 HydrophobicContact CD1-CG 3.8Å; L263-V276 HydrophobicContact CB-CG2 3.85Å; L263-V276 HydrophobicContact CD1-CG2 4.1Å
264	E	93.4	Very high	92.2	Very high	113 Å²	113	60.9 Å²	60.9	53%	0.528	32%	0.318	S	S	.	.	H	α-helix	trans	-61.5	-49.8	179	-167	-148.7	133.4	0	0	111.7	E260 I262 S267 K268	E260-E264 WeakPolarHBondContact O-CB 3.29Å; E260-E264 PolarHBondContact O-N 3.24Å; I262-E264 VanDerWaalsContact C-N 3.34Å; I262-E264 PolarHBondContact O-N 3.28Å; E264-S267 PolarHBondContact O-N 2.99Å; E264-K268 WeakPolarHBondContact O-CE 3.12Å; E264-K268 WeakPolarHBondContact O-CG 3.1Å; E264-K268 PolarHBondContact O-N 3.35Å; E264-K268 WeakPolarHBondContact OE1-CE 3.41Å; E264-K268 IonicContact OE1-NZ 2.76Å; E264-K268 PolarHBondContact OE1-NZ 3.32Å
265	E	92.1	Very high	92.2	Very high	48 Å²	48	62 Å²	62	22%	0.224	32%	0.322	C	S	.	.	H	α-helix	trans	-69.8	-39.3	-175.8	-167.2	77.6	162.2	0	0	112.3	N261 I262 K268 V316 W317	N261-E265 WeakPolarHBondContact O-CB 3.45Å; N261-E265 PolarHBondContact O-N 2.88Å; I262-E265 PolarHBondContact O-N 3.49Å; E265-K268 PolarHBondContact O-N 3.44Å; E265-K268 IonicContact OE2-NZ 2.58Å; E265-K268 PolarHBondContact OE2-NZ 3.28Å; E265-V316 HydrophobicContact CB-CG1 4.39Å; E265-V316 HydrophobicContact CG-CG1 3.55Å; E265-W317 HydrophobicContact CB-CH2 4.21Å; E265-W317 HydrophobicContact CB-CZ2 3.48Å; E265-W317 VanDerWaalsContact CB-CZ2 3.48Å; E265-W317 HydrophobicContact CG-CD2 4.38Å; E265-W317 HydrophobicContact CG-CH2 4.46Å; E265-W317 HydrophobicContact CG-CZ2 3.76Å
266	F	93.9	Very high	92.4	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-71.2	-32	175.4	-80.8	-82.1	0	0	0	112.6	V250 I253 I262 K268 V269 T270 L273 L294 L309 V316 W317 V321	V250-F266 HydrophobicContact CG1-CE1 4.14Å; V250-F266 HydrophobicContact CG1-CE2 4.43Å; V250-F266 HydrophobicContact CG1-CZ 3.63Å; I253-F266 HydrophobicContact CG2-CE2 4.45Å; I262-F266 HydrophobicContact CG2-CD2 3.6Å; I262-F266 HydrophobicContact CG2-CE2 3.86Å; I262-F266 WeakPolarHBondContact O-CD2 3.35Å; I262-F266 PolarHBondContact O-N 3.24Å; F266-K268 PolarHBondContact O-N 2.74Å; F266-V269 HydrophobicContact CD1-CG2 4.35Å; F266-V269 CarbonylContact O-C 3.57Å; F266-V269 WeakPolarHBondContact O-CG2 3.32Å; F266-V269 PolarHBondContact O-N 3.36Å; F266-T270 PolarHBondContact O-N 3.01Å; F266-T270 PolarHBondContact O-OG1 3.42Å; F266-L273 HydrophobicContact CB-CD2 3.6Å; F266-L294 HydrophobicContact CB-CD1 4.19Å; F266-L294 HydrophobicContact CD1-CD1 3.53Å; F266-L294 HydrophobicContact CD2-CD1 4.26Å; F266-L294 HydrophobicContact CD2-CD2 4.29Å; F266-L294 HydrophobicContact CE1-CD1 3.94Å; F266-L294 HydrophobicContact CG-CD1 3.72Å; F266-L294 HydrophobicContact CG-CD2 4.35Å; F266-L294 HydrophobicContact CZ-CD1 4.48Å; F266-L309 HydrophobicContact CD1-CD1 3.88Å; F266-L309 HydrophobicContact CD1-CD2 3.94Å; F266-L309 HydrophobicContact CE1-CD1 3.68Å; F266-L309 HydrophobicContact CE1-CD2 3.66Å; F266-L309 HydrophobicContact CE1-CG 4.31Å; F266-V316 HydrophobicContact CE1-CG1 4.49Å; F266-V316 HydrophobicContact CE1-CG2 3.86Å; F266-V316 HydrophobicContact CE2-CG1 3.97Å; F266-V316 HydrophobicContact CZ-CB 4.32Å; F266-V316 HydrophobicContact CZ-CG1 3.96Å; F266-V316 HydrophobicContact CZ-CG2 3.87Å; F266-W317 HydrophobicContact CE2-CH2 4.23Å; F266-W317 HydrophobicContact CE2-CZ3 4.32Å; F266-V321 HydrophobicContact CE1-CG2 4.35Å; F266-V321 HydrophobicContact CZ-CG1 4.31Å; F266-V321 HydrophobicContact CZ-CG2 4.36Å
267	S	92.6	Very high	92.4	Very high	60 Å²	60	53.7 Å²	53.7	42%	0.42	28%	0.282	S	S	.	.	H	α-helix	trans	-66.6	-22.4	175.2	-60.5	0	0	0	0	113.5	L263 E264 V269	L263-S267 VanDerWaalsContact O-CB 3.23Å; L263-S267 WeakPolarHBondContact O-CB 3.28Å; L263-S267 PolarHBondContact O-N 3.01Å; L263-S267 PolarHBondContact O-OG 3.19Å; E264-S267 PolarHBondContact O-N 2.99Å; S267-V269 VanDerWaalsContact C-N 3.25Å; S267-V269 PolarHBondContact O-N 3.06Å
268	K	91.3	Very high	92.4	Very high	116 Å²	116	52.5 Å²	52.5	50%	0.504	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-20.1	170.9	-63.2	164.1	-159	171	0	113	E264 E265 F266	E264-K268 WeakPolarHBondContact O-CE 3.12Å; E264-K268 WeakPolarHBondContact O-CG 3.1Å; E264-K268 PolarHBondContact O-N 3.35Å; E264-K268 WeakPolarHBondContact OE1-CE 3.41Å; E264-K268 IonicContact OE1-NZ 2.76Å; E264-K268 PolarHBondContact OE1-NZ 3.32Å; E265-K268 PolarHBondContact O-N 3.44Å; E265-K268 IonicContact OE2-NZ 2.58Å; E265-K268 PolarHBondContact OE2-NZ 3.28Å; F266-K268 PolarHBondContact O-N 2.74Å
269	V	90.6	Very high	92.1	Very high	30 Å²	30	53.3 Å²	53.3	18%	0.182	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.1	-5	-173.2	-63.1	0	0	0	0	114.5	F266 S267 R308 L309 V314	F266-V269 HydrophobicContact CD1-CG2 4.35Å; F266-V269 CarbonylContact O-C 3.57Å; F266-V269 WeakPolarHBondContact O-CG2 3.32Å; F266-V269 PolarHBondContact O-N 3.36Å; S267-V269 VanDerWaalsContact C-N 3.25Å; S267-V269 PolarHBondContact O-N 3.06Å; V269-R308 WeakPolarHBondContact O-CD 3.22Å; V269-R308 PolarHBondContact O-NE 2.7Å; V269-R308 PolarHBondContact O-NH1 2.79Å; V269-L309 HydrophobicContact CG2-CD2 4.07Å; V269-V314 HydrophobicContact CB-CG1 4.05Å; V269-V314 HydrophobicContact CG1-CG1 3.97Å; V269-V314 HydrophobicContact CG2-CG1 4.24Å
270	T	92.5	Very high	91.8	Very high	6 Å²	6	54.1 Å²	54.1	4%	0.037	28%	0.279	C	S	.	.	S	Bend	trans	-143.8	149.8	178.1	62.1	0	0	0	0	110.2	F266 Y296 A305 L309	F266-T270 PolarHBondContact O-N 3.01Å; F266-T270 PolarHBondContact O-OG1 3.42Å; T270-Y296 PolarHBondContact OG1-OH 2.94Å; T270-Y296 VanDerWaalsContact OG1-OH 3.1Å; T270-A305 HydrophobicContact CG2-CB 3.6Å; T270-L309 HydrophobicContact CG2-CD1 4.12Å; T270-L309 HydrophobicContact CG2-CD2 4.39Å; T270-L309 HydrophobicContact CG2-CG 4.16Å
271	E	92	Very high	91.2	Very high	99 Å²	99	50.5 Å²	50.5	46%	0.463	26%	0.262	S	S	.	.	S	Bend	trans	-103.6	136.2	-171.4	-73.2	147	-144.7	0	0	111.3	L273 R308 Q531 R532	E271-L273 VanDerWaalsContact C-N 3.3Å; E271-L273 PolarHBondContact O-N 3.07Å; E271-R308 IonicContact OE1-NH1 2.62Å; E271-Q531 PolarHBondContact OE2-NE2 2.76Å; E271-R532 VanDerWaalsContact C-NH1 3.29Å; E271-R532 PolarHBondContact O-NH1 3.29Å; E271-R532 PolarHBondContact O-NH2 2.9Å
272	G	91.7	Very high	90.2	Very high	33 Å²	33	50 Å²	50	34%	0.34	26%	0.262	S	S	.	.			trans	50	49.5	-179.4	0	0	0	0	0	113.2	Y296 E297 R532	G272-Y296 WeakPolarHBondContact O-CD1 3.4Å; G272-E297 PolarHBondContact O-N 3.13Å; G272-R532 VanDerWaalsContact CA-NH1 3.26Å; G272-R532 PolarHBondContact O-NH2 3.2Å
273	L	94.5	Very high	89.5	Confident	17 Å²	17	56.3 Å²	56.3	9%	0.089	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	125.7	152.1	176.6	59.5	0	0	0	106.9	L263 F266 E271 D275 V276 L294 Y296	L263-L273 HydrophobicContact CD1-CD2 3.81Å; L263-L273 HydrophobicContact CD1-CG 3.8Å; F266-L273 HydrophobicContact CB-CD2 3.6Å; E271-L273 VanDerWaalsContact C-N 3.3Å; E271-L273 PolarHBondContact O-N 3.07Å; L273-D275 WeakPolarHBondContact CD1-O 3.1Å; L273-V276 HydrophobicContact CD2-CG2 4.16Å; L273-L294 HydrophobicContact CD1-CB 3.71Å; L273-L294 HydrophobicContact CD1-CD2 4.12Å; L273-L294 HydrophobicContact CD1-CG 4.34Å; L273-L294 HydrophobicContact CD2-CD2 4.29Å; L273-Y296 HydrophobicContact CB-CD1 4.35Å; L273-Y296 HydrophobicContact CB-CE1 3.89Å; L273-Y296 HydrophobicContact CD1-CE1 4.21Å; L273-Y296 HydrophobicContact CD1-CE2 4.15Å
274	V	92.1	Very high	88.7	Confident	88 Å²	88	55.9 Å²	55.9	53%	0.533	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-45.2	-176.3	174.9	0	0	0	0	110.7	E295 E297	V274-E295 WeakPolarHBondContact CA-O 3.25Å; V274-E295 PolarHBondContact N-O 2.8Å; V274-E297 HydrophobicContact CG2-CB 3.71Å; V274-E297 HydrophobicContact CG2-CG 4.35Å
275	D	92.5	Very high	87.8	Confident	49 Å²	49	53.7 Å²	53.7	26%	0.262	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	161.3	177	-163.4	34.2	0	0	0	114.1	K259 L273 E295	K259-D275 WeakPolarHBondContact CE-OD1 3.34Å; K259-D275 IonicContact NZ-OD1 2.62Å; K259-D275 PolarHBondContact NZ-OD1 3.13Å; K259-D275 IonicContact NZ-OD2 3.74Å; K259-D275 PolarHBondContact NZ-OD2 2.82Å; L273-D275 WeakPolarHBondContact CD1-O 3.1Å; D275-E295 HydrophobicContact CB-CB 4.34Å; D275-E295 PolarHBondContact N-O 3.09Å; D275-E295 VanDerWaalsContact N-O 3.14Å; D275-E295 PolarHBondContact O-N 3.46Å
276	V	93.8	Very high	87.2	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	118.5	172.9	177.8	0	0	0	0	109.7	K259 I262 L263 L273 C292 F293 L294	K259-V276 VanDerWaalsContact CD-O 3.28Å; K259-V276 WeakPolarHBondContact CD-O 3.23Å; K259-V276 WeakPolarHBondContact CE-O 3.46Å; K259-V276 HydrophobicContact CG-CB 4.12Å; K259-V276 HydrophobicContact CG-CG1 4.47Å; K259-V276 WeakPolarHBondContact CG-O 3.43Å; K259-V276 PolarHBondContact NZ-O 3.11Å; I262-V276 HydrophobicContact CB-CG1 4.04Å; I262-V276 HydrophobicContact CG2-CG1 3.6Å; I262-V276 HydrophobicContact CG2-CG2 4.14Å; L263-V276 HydrophobicContact CB-CG2 3.85Å; L263-V276 HydrophobicContact CD1-CG2 4.1Å; L273-V276 HydrophobicContact CD2-CG2 4.16Å; V276-C292 HydrophobicContact CG1-CB 4.14Å; V276-F293 WeakPolarHBondContact CA-O 3.34Å; V276-L294 HydrophobicContact CB-CD2 4.45Å; V276-L294 HydrophobicContact CG1-CD2 4.26Å; V276-L294 HydrophobicContact CG2-CD2 3.69Å
277	I	91.2	Very high	86.8	Confident	50 Å²	50	64.9 Å²	64.9	26%	0.256	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	108.3	175.1	-52.1	172.8	0	0	0	107.9	Y279 C292 F293	I277-Y279 HydrophobicContact CG2-CD2 4.49Å; I277-Y279 HydrophobicContact CG2-CE2 3.78Å; I277-C292 CarbonylContact O-C 3.6Å; I277-C292 WeakPolarHBondContact O-CA 3.11Å; I277-F293 HydrophobicContact CB-CB 4.23Å; I277-F293 PolarHBondContact N-O 3.39Å; I277-F293 PolarHBondContact O-N 3.27Å
278	L	89.9	Confident	86.6	Confident	23 Å²	23	62.1 Å²	62.1	12%	0.12	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	133.7	-177.4	-168.3	63.7	0	0	0	110.6	I253 K259 I262 N288 C292	I253-L278 HydrophobicContact CD1-CD1 3.94Å; K259-L278 HydrophobicContact CB-CD2 4.44Å; I262-L278 HydrophobicContact CD1-CD1 3.48Å; I262-L278 VanDerWaalsContact CD1-CD1 3.48Å; I262-L278 HydrophobicContact CD1-CD2 4Å; I262-L278 HydrophobicContact CD1-CG 4.34Å; L278-N288 HydrophobicContact CD1-CB 3.58Å; L278-N288 HydrophobicContact CD2-CB 4.04Å; L278-N288 HydrophobicContact CG-CB 3.87Å; L278-C292 HydrophobicContact CD1-CB 3.84Å
279	Y	85.8	Confident	86.6	Confident	81 Å²	81	62.3 Å²	62.3	32%	0.318	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	130.1	173.5	-69.3	-89.2	0	0	0	110.2	I277 N288 R289 F291 F293	I277-Y279 HydrophobicContact CG2-CD2 4.49Å; I277-Y279 HydrophobicContact CG2-CE2 3.78Å; Y279-N288 WeakPolarHBondContact O-CA 3.44Å; Y279-R289 WeakPolarHBondContact O-CG 3.38Å; Y279-R289 PolarHBondContact O-N 3.33Å; Y279-F291 AromaticContact CD2-CE2 3.83Å; Y279-F291 HydrophobicContact CD2-CE2 3.83Å; Y279-F291 HydrophobicContact CD2-CZ 4.46Å; Y279-F291 HydrophobicContact CG-CE2 4.36Å; Y279-F293 HydrophobicContact CD2-CD2 4.31Å; Y279-F293 HydrophobicContact CD2-CE2 4.15Å; Y279-F293 AromaticContact CE2-CD2 3.84Å; Y279-F293 HydrophobicContact CE2-CD2 3.84Å; Y279-F293 AromaticContact CE2-CE2 3.69Å; Y279-F293 HydrophobicContact CE2-CE2 3.69Å
280	H	84.8	Confident	86.6	Confident	92 Å²	92	61.6 Å²	61.6	43%	0.426	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	157.1	177.6	-61.2	102.8	0	0	0	111.8	K285 K287 R289	H280-K285 PolarHBondContact CD2-O 2.85Å; H280-K285 VanDerWaalsContact CD2-O 3.31Å; H280-K287 CarbonylContact C-O 3.55Å; H280-K287 WeakPolarHBondContact CA-O 3.19Å; H280-R289 VanDerWaalsContact O-CD 3.29Å; H280-R289 WeakPolarHBondContact O-CD 3.29Å; H280-R289 VanDerWaalsContact O-CG 3.24Å; H280-R289 WeakPolarHBondContact O-CG 3.28Å
281	Q	80.1	Confident	86.7	Confident	39 Å²	39	63.6 Å²	63.6	18%	0.182	32%	0.316	C	S	.	.			trans	-70.5	138.5	171	-71.3	-162.8	-133.3	0	0	109.6	D283 D284 K287 R289	Q281-D283 PolarHBondContact NE2-OD2 2.83Å; Q281-D283 PolarHBondContact O-N 3.48Å; Q281-D284 CarbonylContact O-C 3.52Å; Q281-D284 PolarHBondContact O-N 2.82Å; Q281-K287 HydrophobicContact CG-CB 4.42Å; Q281-K287 PolarHBondContact N-O 2.79Å; Q281-R289 HydrophobicContact CG-CG 4.19Å
282	P	72.5	Confident	86.8	Confident	49 Å²	49	58.9 Å²	58.9	32%	0.318	29%	0.294	S	S	.	.	S	Bend	trans	-65.6	-30.5	177.4	27.8	-33.7	0	0	0	111.8
283	D	76.7	Confident	87	Confident	134 Å²	134	59.7 Å²	59.7	72%	0.717	29%	0.288	S	S	*	.	S	Bend	trans	-85.6	-18.6	-176.9	-17.2	-88.2	0	0	0	112.9	Q281	Q281-D283 PolarHBondContact NE2-OD2 2.83Å; Q281-D283 PolarHBondContact O-N 3.48Å
284	D	78.5	Confident	87	Confident	47 Å²	47	58.9 Å²	58.9	25%	0.251	28%	0.284	S	S	.	.			trans	-155.3	93.7	179.6	-178	-6.2	0	0	0	110.4	Q281 K286 K287	Q281-D284 CarbonylContact O-C 3.52Å; Q281-D284 PolarHBondContact O-N 2.82Å; D284-K286 PolarHBondContact O-N 2.83Å; D284-K286 VanDerWaalsContact O-N 3.12Å; D284-K286 WeakPolarHBondContact OD1-CB 3.35Å; D284-K286 PolarHBondContact OD1-N 2.88Å; D284-K287 PolarHBondContact O-N 3.05Å; D284-K287 WeakPolarHBondContact OD2-CD 3.34Å; D284-K287 WeakPolarHBondContact OD2-CE 3.45Å; D284-K287 WeakPolarHBondContact OD2-CG 3.4Å; D284-K287 IonicContact OD2-NZ 2.76Å; D284-K287 PolarHBondContact OD2-NZ 3.46Å
285	K	74.3	Confident	87.1	Confident	66 Å²	66	56.5 Å²	56.5	29%	0.287	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-12.4	-178.3	-63.6	-171.7	177.6	-176.7	0	114.1	H280 K287 N347 E402	H280-K285 PolarHBondContact CD2-O 2.85Å; H280-K285 VanDerWaalsContact CD2-O 3.31Å; K285-K287 PolarHBondContact O-N 3.29Å; K285-N347 PolarHBondContact NZ-OD1 2.98Å; K285-E402 WeakPolarHBondContact CD-OE1 3.36Å; K285-E402 VanDerWaalsContact CE-OE1 3.24Å; K285-E402 WeakPolarHBondContact CE-OE1 3.27Å; K285-E402 IonicContact NZ-OE1 2.66Å; K285-E402 PolarHBondContact NZ-OE1 3.31Å; K285-E402 IonicContact NZ-OE2 3.11Å; K285-E402 PolarHBondContact NZ-OE2 3.14Å
286	K	78.9	Confident	87.1	Confident	192 Å²	192	54.2 Å²	54.2	84%	0.835	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-7	171.8	-59.5	178.8	-179.7	175.7	0	112.6	D284	D284-K286 PolarHBondContact O-N 2.83Å; D284-K286 VanDerWaalsContact O-N 3.12Å; D284-K286 WeakPolarHBondContact OD1-CB 3.35Å; D284-K286 PolarHBondContact OD1-N 2.88Å
287	K	85.9	Confident	86.9	Confident	91 Å²	91	58.8 Å²	58.8	40%	0.396	28%	0.276	S	S	.	.	S	Bend	trans	-113.3	131	175.4	-67.8	-173.9	-177.7	89.7	0	111.2	K255 H280 Q281 D284 K285	K255-K287 HydrophobicContact CB-CB 4.34Å; K255-K287 CarbonylContact O-C 3.6Å; K255-K287 VanDerWaalsContact O-CA 3.31Å; K255-K287 WeakPolarHBondContact O-CA 3.38Å; H280-K287 CarbonylContact C-O 3.55Å; H280-K287 WeakPolarHBondContact CA-O 3.19Å; Q281-K287 HydrophobicContact CG-CB 4.42Å; Q281-K287 PolarHBondContact N-O 2.79Å; D284-K287 PolarHBondContact O-N 3.05Å; D284-K287 WeakPolarHBondContact OD2-CD 3.34Å; D284-K287 WeakPolarHBondContact OD2-CE 3.45Å; D284-K287 WeakPolarHBondContact OD2-CG 3.4Å; D284-K287 IonicContact OD2-NZ 2.76Å; D284-K287 PolarHBondContact OD2-NZ 3.46Å; K285-K287 PolarHBondContact O-N 3.29Å
288	N	89.7	Confident	86.5	Confident	2 Å²	2	56.6 Å²	56.6	1%	0.011	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	160.8	165.3	75.5	55.8	0	0	0	111.1	P254 K255 K257 L278 Y279 G290	P254-N288 PolarHBondContact O-ND2 2.79Å; K255-N288 WeakPolarHBondContact CA-OD1 3.46Å; K255-N288 WeakPolarHBondContact CG-O 3.28Å; K255-N288 PolarHBondContact O-N 3.1Å; K255-N288 PolarHBondContact O-ND2 3.01Å; K257-N288 PolarHBondContact O-ND2 3.19Å; L278-N288 HydrophobicContact CD1-CB 3.58Å; L278-N288 HydrophobicContact CD2-CB 4.04Å; L278-N288 HydrophobicContact CG-CB 3.87Å; Y279-N288 WeakPolarHBondContact O-CA 3.44Å; N288-G290 PolarHBondContact O-N 2.85Å; N288-G290 WeakPolarHBondContact OD1-CA 3.4Å; N288-G290 PolarHBondContact OD1-N 2.84Å
289	R	89.9	Confident	86.3	Confident	120 Å²	120	58.9 Å²	58.9	45%	0.453	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	7.4	-176.7	-65.4	177.1	79.1	151.2	-0.5	114.7	Y279 H280 Q281 F291	Y279-R289 WeakPolarHBondContact O-CG 3.38Å; Y279-R289 PolarHBondContact O-N 3.33Å; H280-R289 VanDerWaalsContact O-CD 3.29Å; H280-R289 WeakPolarHBondContact O-CD 3.29Å; H280-R289 VanDerWaalsContact O-CG 3.24Å; H280-R289 WeakPolarHBondContact O-CG 3.28Å; Q281-R289 HydrophobicContact CG-CG 4.19Å; R289-F291 VanDerWaalsContact C-N 3.3Å; R289-F291 HydrophobicContact CB-CD1 3.77Å; R289-F291 HydrophobicContact CB-CE1 3.43Å; R289-F291 VanDerWaalsContact CB-CE1 3.43Å; R289-F291 HydrophobicContact CB-CZ 4.11Å; R289-F291 HydrophobicContact CG-CE1 4.34Å
290	G	91.2	Very high	86.3	Confident	15 Å²	15	60.4 Å²	60.4	16%	0.155	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	80.5	8.9	-174.5	0	0	0	0	0	114	S252 I253 N288	S252-G290 PolarHBondContact N-O 2.78Å; I253-G290 VanDerWaalsContact CG1-C 3.41Å; I253-G290 WeakPolarHBondContact CG1-O 3.43Å; I253-G290 PolarHBondContact N-O 2.86Å; N288-G290 PolarHBondContact O-N 2.85Å; N288-G290 WeakPolarHBondContact OD1-CA 3.4Å; N288-G290 PolarHBondContact OD1-N 2.84Å
291	F	94.1	Very high	86.6	Confident	49 Å²	49	56 Å²	56	22%	0.215	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	159.5	173.4	70	-93.6	0	0	0	111.6	F249 V250 Y279 R289 F293	F249-F291 HydrophobicContact CD2-CD2 4.29Å; F249-F291 HydrophobicContact CE2-CB 3.57Å; F249-F291 HydrophobicContact CE2-CD1 4.49Å; F249-F291 AromaticContact CE2-CD2 3.66Å; F249-F291 HydrophobicContact CE2-CD2 3.66Å; F249-F291 HydrophobicContact CE2-CE2 4.48Å; F249-F291 AromaticContact CE2-CG 3.67Å; F249-F291 HydrophobicContact CE2-CG 3.67Å; F249-F291 HydrophobicContact CZ-CB 3.72Å; F249-F291 HydrophobicContact CZ-CG 4.18Å; V250-F291 CarbonylContact O-C 3.54Å; V250-F291 WeakPolarHBondContact O-CA 3.48Å; V250-F291 WeakPolarHBondContact O-CB 3.35Å; Y279-F291 AromaticContact CD2-CE2 3.83Å; Y279-F291 HydrophobicContact CD2-CE2 3.83Å; Y279-F291 HydrophobicContact CD2-CZ 4.46Å; Y279-F291 HydrophobicContact CG-CE2 4.36Å; R289-F291 VanDerWaalsContact C-N 3.3Å; R289-F291 HydrophobicContact CB-CD1 3.77Å; R289-F291 HydrophobicContact CB-CE1 3.43Å; R289-F291 VanDerWaalsContact CB-CE1 3.43Å; R289-F291 HydrophobicContact CB-CZ 4.11Å; R289-F291 HydrophobicContact CG-CE1 4.34Å; F291-F293 HydrophobicContact CD2-CE2 4.24Å; F291-F293 AromaticContact CE2-CE2 3.96Å; F291-F293 HydrophobicContact CE2-CE2 3.96Å
292	C	94.5	Very high	87.2	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	172.3	169.9	64.1	0	0	0	0	109.8	V250 I253 V276 I277 L278	V250-C292 PolarHBondContact N-O 2.98Å; V250-C292 PolarHBondContact O-N 2.83Å; I253-C292 HydrophobicContact CD1-CB 3.98Å; V276-C292 HydrophobicContact CG1-CB 4.14Å; I277-C292 CarbonylContact O-C 3.6Å; I277-C292 WeakPolarHBondContact O-CA 3.11Å; L278-C292 HydrophobicContact CD1-CB 3.84Å
293	F	95.4	Very high	88.1	Confident	50 Å²	50	51.8 Å²	51.8	22%	0.219	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	142	162.5	-57.8	-95.9	0	0	0	110.2	L248 F249 V276 I277 Y279 F291 A326	L248-F293 CarbonylContact O-C 3.44Å; L248-F293 WeakPolarHBondContact O-CA 3.35Å; L248-F293 WeakPolarHBondContact O-CB 3.3Å; F249-F293 HydrophobicContact CB-CD1 4.08Å; F249-F293 HydrophobicContact CB-CE1 3.91Å; F249-F293 HydrophobicContact CD2-CD1 4.37Å; F249-F293 AromaticContact CD2-CE1 3.8Å; F249-F293 HydrophobicContact CD2-CE1 3.8Å; F249-F293 AromaticContact CD2-CZ 3.95Å; F249-F293 HydrophobicContact CD2-CZ 3.95Å; F249-F293 HydrophobicContact CG-CE1 4.36Å; V276-F293 WeakPolarHBondContact CA-O 3.34Å; I277-F293 HydrophobicContact CB-CB 4.23Å; I277-F293 PolarHBondContact N-O 3.39Å; I277-F293 PolarHBondContact O-N 3.27Å; Y279-F293 HydrophobicContact CD2-CD2 4.31Å; Y279-F293 HydrophobicContact CD2-CE2 4.15Å; Y279-F293 AromaticContact CE2-CD2 3.84Å; Y279-F293 HydrophobicContact CE2-CD2 3.84Å; Y279-F293 AromaticContact CE2-CE2 3.69Å; Y279-F293 HydrophobicContact CE2-CE2 3.69Å; F291-F293 HydrophobicContact CD2-CE2 4.24Å; F291-F293 AromaticContact CE2-CE2 3.96Å; F291-F293 HydrophobicContact CE2-CE2 3.96Å; F293-A326 HydrophobicContact CD1-CB 3.71Å; F293-A326 HydrophobicContact CE1-CB 3.97Å
294	L	95.4	Very high	88.8	Confident	0 Å²	0	48 Å²	48	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	119.9	176.7	-59.4	-173.9	0	0	0	108.9	R247 L248 V250 I262 F266 L273 V276 Y296 L309	R247-L294 CarbonylContact C-O 3.46Å; R247-L294 WeakPolarHBondContact CA-O 3.27Å; L248-L294 HydrophobicContact CB-CB 4.42Å; L248-L294 PolarHBondContact N-O 3.16Å; L248-L294 PolarHBondContact O-N 2.8Å; V250-L294 HydrophobicContact CG2-CD1 3.64Å; V250-L294 HydrophobicContact CG2-CG 3.74Å; I262-L294 HydrophobicContact CG2-CD2 4.19Å; F266-L294 HydrophobicContact CB-CD1 4.19Å; F266-L294 HydrophobicContact CD1-CD1 3.53Å; F266-L294 HydrophobicContact CD2-CD1 4.26Å; F266-L294 HydrophobicContact CD2-CD2 4.29Å; F266-L294 HydrophobicContact CE1-CD1 3.94Å; F266-L294 HydrophobicContact CG-CD1 3.72Å; F266-L294 HydrophobicContact CG-CD2 4.35Å; F266-L294 HydrophobicContact CZ-CD1 4.48Å; L273-L294 HydrophobicContact CD1-CB 3.71Å; L273-L294 HydrophobicContact CD1-CD2 4.12Å; L273-L294 HydrophobicContact CD1-CG 4.34Å; L273-L294 HydrophobicContact CD2-CD2 4.29Å; V276-L294 HydrophobicContact CB-CD2 4.45Å; V276-L294 HydrophobicContact CG1-CD2 4.26Å; V276-L294 HydrophobicContact CG2-CD2 3.69Å; L294-Y296 HydrophobicContact CB-CD2 4.49Å; L294-Y296 HydrophobicContact CB-CE2 3.62Å; L294-Y296 HydrophobicContact CD1-CE2 4.45Å; L294-Y296 WeakPolarHBondContact CD1-OH 3.43Å; L294-L309 HydrophobicContact CD1-CD1 4.42Å
295	E	92.9	Very high	89.6	Confident	37 Å²	37	45.9 Å²	45.9	17%	0.173	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	120.9	177.9	174.7	134.3	-123.9	0	0	110.3	R247 V274 D275	R247-E295 HydrophobicContact CG-CB 4.19Å; R247-E295 HydrophobicContact CG-CG 4.33Å; R247-E295 IonicContact CZ-OE1 3.34Å; R247-E295 VanDerWaalsContact CZ-OE1 3.22Å; R247-E295 IonicContact CZ-OE2 3.57Å; R247-E295 VanDerWaalsContact CZ-OE2 3.31Å; R247-E295 IonicContact NE-OE1 3.05Å; R247-E295 PolarHBondContact NE-OE1 3Å; R247-E295 IonicContact NE-OE2 2.76Å; R247-E295 PolarHBondContact NE-OE2 2.91Å; R247-E295 VanDerWaalsContact NH2-CD 3.3Å; R247-E295 IonicContact NH2-OE1 2.71Å; R247-E295 PolarHBondContact NH2-OE1 2.85Å; R247-E295 IonicContact NH2-OE2 3.49Å; R247-E295 PolarHBondContact NH2-OE2 2.88Å; V274-E295 WeakPolarHBondContact CA-O 3.25Å; V274-E295 PolarHBondContact N-O 2.8Å; D275-E295 HydrophobicContact CB-CB 4.34Å; D275-E295 PolarHBondContact N-O 3.09Å; D275-E295 VanDerWaalsContact N-O 3.14Å; D275-E295 PolarHBondContact O-N 3.46Å
296	Y	93.6	Very high	90.5	Very high	1 Å²	1	45.3 Å²	45.3	0%	0.004	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	155.7	176	-65.2	-94.6	0	0	0	109.7	N246 L248 T270 G272 L273 L294 D298 A302 A305	N246-Y296 PolarHBondContact O-N 3.13Å; L248-Y296 HydrophobicContact CD1-CE2 3.77Å; L248-Y296 HydrophobicContact CG-CD2 4.42Å; L248-Y296 HydrophobicContact CG-CE2 4.03Å; T270-Y296 PolarHBondContact OG1-OH 2.94Å; T270-Y296 VanDerWaalsContact OG1-OH 3.1Å; G272-Y296 WeakPolarHBondContact O-CD1 3.4Å; L273-Y296 HydrophobicContact CB-CD1 4.35Å; L273-Y296 HydrophobicContact CB-CE1 3.89Å; L273-Y296 HydrophobicContact CD1-CE1 4.21Å; L273-Y296 HydrophobicContact CD1-CE2 4.15Å; L294-Y296 HydrophobicContact CB-CD2 4.49Å; L294-Y296 HydrophobicContact CB-CE2 3.62Å; L294-Y296 HydrophobicContact CD1-CE2 4.45Å; L294-Y296 WeakPolarHBondContact CD1-OH 3.43Å; Y296-D298 PolarHBondContact O-N 3.47Å; Y296-A302 HydrophobicContact CD2-CB 3.85Å; Y296-A302 HydrophobicContact CG-CB 4.21Å; Y296-A305 HydrophobicContact CD1-CB 4.35Å; Y296-A305 HydrophobicContact CE1-CB 3.58Å; Y296-A305 HydrophobicContact CE2-CB 3.84Å; Y296-A305 WeakPolarHBondContact OH-CB 3.32Å
297	E	88.6	Confident	91.1	Very high	97 Å²	97	42 Å²	42	45%	0.453	18%	0.184	S	C	.	.	S	Bend	trans	-58.1	-16.6	177.2	46.5	-179.9	158.9	0	0	113.4	G272 V274 R532	G272-E297 PolarHBondContact O-N 3.13Å; V274-E297 HydrophobicContact CG2-CB 3.71Å; V274-E297 HydrophobicContact CG2-CG 4.35Å; E297-R532 VanDerWaalsContact CD-CZ 3.42Å; E297-R532 WeakPolarHBondContact OE1-CD 3.39Å; E297-R532 IonicContact OE1-CZ 2.67Å; E297-R532 IonicContact OE1-NE 3.55Å; E297-R532 PolarHBondContact OE1-NE 3.27Å; E297-R532 VanDerWaalsContact OE1-NE 3.12Å; E297-R532 IonicContact OE1-NH1 2.72Å; E297-R532 PolarHBondContact OE1-NH1 2.89Å; E297-R532 IonicContact OE1-NH2 2.66Å; E297-R532 PolarHBondContact OE1-NH2 2.89Å
298	D	84.3	Confident	91.3	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.016	18%	0.182	C	C	.	.	S	Bend	trans	-161	169.4	175.6	73.8	84.8	0	0	0	115.3	N246 Y296 K300 S301 A302 R532 G533 A534	N246-D298 VanDerWaalsContact CG-C 3.47Å; N246-D298 WeakPolarHBondContact ND2-CA 3.32Å; Y296-D298 PolarHBondContact O-N 3.47Å; D298-K300 WeakPolarHBondContact OD1-CA 3.09Å; D298-K300 WeakPolarHBondContact OD1-CB 3.47Å; D298-K300 PolarHBondContact OD1-N 2.89Å; D298-S301 PolarHBondContact OD1-N 3.06Å; D298-A302 PolarHBondContact O-N 2.95Å; D298-A302 VanDerWaalsContact O-N 3.08Å; D298-R532 WeakPolarHBondContact OD1-CA 3.4Å; D298-R532 WeakPolarHBondContact OD2-CD 3.42Å; D298-R532 WeakPolarHBondContact OD2-CG 3.46Å; D298-R532 IonicContact OD2-CZ 2.84Å; D298-R532 IonicContact OD2-NE 2.9Å; D298-R532 PolarHBondContact OD2-NE 2.88Å; D298-R532 IonicContact OD2-NH2 3.3Å; D298-G533 VanDerWaalsContact CB-O 3.31Å; D298-G533 WeakPolarHBondContact CB-O 3.42Å; D298-G533 PolarHBondContact OD1-N 2.87Å; D298-G533 PolarHBondContact OD2-N 2.73Å; D298-A534 HydrophobicContact CB-CB 3.66Å
299	H	85.5	Confident	91.4	Very high	72 Å²	72	42.1 Å²	42.1	33%	0.333	18%	0.182	S	C	.	.	H	α-helix	trans	-63.8	-51	-180	169.7	56	0	0	0	114.1	N245 N246 S301 A302 A303 W325	N245-H299 WeakPolarHBondContact CB-ND1 3.36Å; N245-H299 WeakPolarHBondContact O-CA 3.3Å; N245-H299 PolarHBondContact O-ND1 3.18Å; N246-H299 WeakPolarHBondContact OD1-CA 3.32Å; N246-H299 WeakPolarHBondContact OD1-CB 3.32Å; N246-H299 PolarHBondContact OD1-N 2.83Å; H299-S301 PolarHBondContact O-N 3.41Å; H299-S301 VanDerWaalsContact O-N 3.11Å; H299-A302 PolarHBondContact O-N 2.89Å; H299-A303 PolarHBondContact O-N 2.76Å; H299-W325 AromaticContact CE1-CH2 3.39Å; H299-W325 WeakPolarHBondContact CE1-CH2 3.34Å; H299-W325 AromaticContact CE1-CZ2 3.71Å; H299-W325 AromaticContact ND1-CH2 3.57Å; H299-W325 AromaticContact ND1-CZ3 3.88Å
300	K	85.3	Confident	91.4	Very high	112 Å²	112	40.1 Å²	40.1	49%	0.487	18%	0.178	S	C	.	.	H	α-helix	trans	-61.1	-27.3	-173.8	-161.2	176.6	146.2	-104.4	0	109	D298 A303 S530 Q531 R532	D298-K300 WeakPolarHBondContact OD1-CA 3.09Å; D298-K300 WeakPolarHBondContact OD1-CB 3.47Å; D298-K300 PolarHBondContact OD1-N 2.89Å; K300-A303 WeakPolarHBondContact O-CB 3.03Å; K300-S530 CarbonylContact O-C 3.53Å; K300-Q531 WeakPolarHBondContact CD-O 3.32Å; K300-Q531 WeakPolarHBondContact CE-O 3.37Å; K300-Q531 WeakPolarHBondContact CG-O 3.37Å; K300-Q531 PolarHBondContact NZ-O 3.39Å; K300-Q531 CarbonylContact O-C 3.48Å; K300-Q531 WeakPolarHBondContact O-CA 3.46Å; K300-Q531 PolarHBondContact O-N 2.93Å; K300-R532 VanDerWaalsContact CD-O 3.3Å; K300-R532 WeakPolarHBondContact CD-O 3.46Å; K300-R532 PolarHBondContact NZ-O 3.48Å; K300-R532 PolarHBondContact O-N 3.05Å
301	S	90.9	Very high	91.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-90.7	-31.8	174.7	-83	0	0	0	0	117.6	D298 H299 A303 Q304 A305 Q531 R532	D298-S301 PolarHBondContact OD1-N 3.06Å; H299-S301 PolarHBondContact O-N 3.41Å; H299-S301 VanDerWaalsContact O-N 3.11Å; S301-A303 PolarHBondContact O-N 3.22Å; S301-A303 VanDerWaalsContact O-N 3.1Å; S301-Q304 PolarHBondContact O-N 2.99Å; S301-Q304 VanDerWaalsContact O-N 3.13Å; S301-A305 PolarHBondContact O-N 2.88Å; S301-A305 VanDerWaalsContact O-N 3.11Å; S301-Q531 VanDerWaalsContact CA-OE1 3.26Å; S301-Q531 PolarHBondContact OG-OE1 3.11Å; S301-R532 VanDerWaalsContact CB-NE 3.25Å; S301-R532 VanDerWaalsContact N-N 3.18Å; S301-R532 WeakPolarHBondContact OG-CA 3.24Å; S301-R532 WeakPolarHBondContact OG-CB 3.21Å; S301-R532 WeakPolarHBondContact OG-CD 3.48Å; S301-R532 PolarHBondContact OG-N 3.17Å; S301-R532 PolarHBondContact OG-NE 2.77Å; S301-R532 PolarHBondContact OG-NH2 3.41Å
302	A	93.2	Very high	90.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-51.6	-32	161.1	0	0	0	0	0	109.7	N246 L248 Y296 D298 H299 R306 W325	N246-A302 WeakPolarHBondContact O-CB 3.42Å; L248-A302 WeakPolarHBondContact CD1-O 3.3Å; L248-A302 HydrophobicContact CD2-CB 4.14Å; L248-A302 HydrophobicContact CG-CB 4.26Å; Y296-A302 HydrophobicContact CD2-CB 3.85Å; Y296-A302 HydrophobicContact CG-CB 4.21Å; D298-A302 PolarHBondContact O-N 2.95Å; D298-A302 VanDerWaalsContact O-N 3.08Å; H299-A302 PolarHBondContact O-N 2.89Å; A302-R306 VanDerWaalsContact O-CB 3.27Å; A302-R306 WeakPolarHBondContact O-CB 3.49Å; A302-R306 PolarHBondContact O-N 2.86Å; A302-W325 HydrophobicContact CB-CH2 4.15Å; A302-W325 HydrophobicContact CB-CZ3 3.64Å
303	A	91.2	Very high	89.7	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-72.9	-31.3	178.6	0	0	0	0	0	115.8	H299 K300 S301 R306 R307 W325 Y529 S530	H299-A303 PolarHBondContact O-N 2.76Å; K300-A303 WeakPolarHBondContact O-CB 3.03Å; S301-A303 PolarHBondContact O-N 3.22Å; S301-A303 VanDerWaalsContact O-N 3.1Å; A303-R306 PolarHBondContact O-N 3.3Å; A303-R307 PolarHBondContact O-N 3.17Å; A303-W325 HydrophobicContact CB-CH2 3.56Å; A303-W325 HydrophobicContact CB-CZ2 3.83Å; A303-Y529 HydrophobicContact CB-CD1 3.32Å; A303-Y529 HydrophobicContact CB-CE1 3.3Å; A303-S530 CarbonylContact C-O 3.53Å; A303-S530 WeakPolarHBondContact CB-O 3.4Å
304	Q	91.8	Very high	89.1	Confident	53 Å²	53	49.6 Å²	49.6	25%	0.248	24%	0.236	C	C	.	.	H	α-helix	trans	-82.2	-37.5	175.5	-166.8	171.7	-107.3	0	0	110.8	S301 R306 R307 R308 S530 Q531	S301-Q304 PolarHBondContact O-N 2.99Å; S301-Q304 VanDerWaalsContact O-N 3.13Å; Q304-R306 PolarHBondContact O-N 3.16Å; Q304-R307 WeakPolarHBondContact O-CB 3.45Å; Q304-R307 PolarHBondContact O-N 3.34Å; Q304-R307 VanDerWaalsContact O-N 3.09Å; Q304-R308 VanDerWaalsContact O-CB 3.31Å; Q304-R308 WeakPolarHBondContact O-CB 3.44Å; Q304-R308 PolarHBondContact O-N 3.34Å; Q304-S530 VanDerWaalsContact CA-O 3.29Å; Q304-S530 WeakPolarHBondContact CA-O 3.48Å; Q304-S530 WeakPolarHBondContact CB-O 3.41Å; Q304-S530 PolarHBondContact N-O 3.28Å; Q304-Q531 HydrophobicContact CB-CB 3.76Å; Q304-Q531 HydrophobicContact CB-CG 4.29Å; Q304-Q531 HydrophobicContact CG-CB 4.19Å
305	A	94.2	Very high	88.6	Confident	4 Å²	4	55.8 Å²	55.8	3%	0.033	26%	0.263	C	S	.	.	H	α-helix	trans	-50.1	-48.2	165.7	0	0	0	0	0	109.7	L248 T270 Y296 S301 R307 R308 L309	L248-A305 HydrophobicContact CD1-CB 3.83Å; T270-A305 HydrophobicContact CG2-CB 3.6Å; Y296-A305 HydrophobicContact CD1-CB 4.35Å; Y296-A305 HydrophobicContact CE1-CB 3.58Å; Y296-A305 HydrophobicContact CE2-CB 3.84Å; Y296-A305 WeakPolarHBondContact OH-CB 3.32Å; S301-A305 PolarHBondContact O-N 2.88Å; S301-A305 VanDerWaalsContact O-N 3.11Å; A305-R307 PolarHBondContact O-N 2.89Å; A305-R308 PolarHBondContact O-N 3.33Å; A305-L309 WeakPolarHBondContact O-CB 3.34Å; A305-L309 VanDerWaalsContact O-CG 3.25Å; A305-L309 WeakPolarHBondContact O-CG 3.34Å; A305-L309 PolarHBondContact O-N 3.42Å
306	R	94.1	Very high	88.2	Confident	54 Å²	54	54.1 Å²	54.1	20%	0.204	26%	0.255	C	S	.	.	H	α-helix	trans	-59.7	-44.7	173.6	-169.1	162.6	-173.8	-104.9	-4.9	113.4	L248 A302 A303 Q304 R308 M310 V323	L248-R306 HydrophobicContact CD1-CB 4.1Å; L248-R306 HydrophobicContact CD2-CB 3.98Å; L248-R306 HydrophobicContact CD2-CG 4.44Å; A302-R306 VanDerWaalsContact O-CB 3.27Å; A302-R306 WeakPolarHBondContact O-CB 3.49Å; A302-R306 PolarHBondContact O-N 2.86Å; A303-R306 PolarHBondContact O-N 3.3Å; Q304-R306 PolarHBondContact O-N 3.16Å; R306-R308 PolarHBondContact O-N 2.97Å; R306-M310 HydrophobicContact CG-CE 3.75Å; R306-M310 HydrophobicContact CG-CG 4.03Å; R306-M310 HydrophobicContact CG-SD 3.67Å; R306-M310 PolarHBondContact NH2-SD 3.28Å; R306-M310 VanDerWaalsContact NH2-SD 3.41Å; R306-M310 WeakPolarHBondContact O-CB 3.35Å; R306-M310 WeakPolarHBondContact O-CG 3.46Å; R306-M310 PolarHBondContact O-N 2.86Å; R306-V323 HydrophobicContact CB-CG1 4.43Å; R306-V323 HydrophobicContact CG-CG1 4.1Å; R306-V323 PolarHBondContact NE-O 2.85Å
307	R	90.5	Very high	87.9	Confident	121 Å²	121	57.2 Å²	57.2	46%	0.457	27%	0.267	S	S	.	.	H	α-helix	trans	-53.6	-55.2	170.9	-177	-162.4	-142.2	132.6	-12.8	111	A303 Q304 A305 L309 M310 S311 G528 Y529	A303-R307 PolarHBondContact O-N 3.17Å; Q304-R307 WeakPolarHBondContact O-CB 3.45Å; Q304-R307 PolarHBondContact O-N 3.34Å; Q304-R307 VanDerWaalsContact O-N 3.09Å; A305-R307 PolarHBondContact O-N 2.89Å; R307-L309 VanDerWaalsContact C-N 3.35Å; R307-L309 PolarHBondContact O-N 3.47Å; R307-M310 PolarHBondContact O-N 2.9Å; R307-S311 WeakPolarHBondContact O-CB 3.14Å; R307-S311 PolarHBondContact O-N 2.86Å; R307-G528 WeakPolarHBondContact CG-O 3.47Å; R307-Y529 VanDerWaalsContact CB-O 3.24Å; R307-Y529 WeakPolarHBondContact CB-O 3.33Å; R307-Y529 WeakPolarHBondContact CD-O 3.3Å; R307-Y529 VanDerWaalsContact CG-O 3.3Å; R307-Y529 WeakPolarHBondContact CG-O 3.47Å; R307-Y529 VanDerWaalsContact CZ-O 3.29Å; R307-Y529 PolarHBondContact NE-O 2.87Å; R307-Y529 PolarHBondContact NH1-O 3.49Å
308	R	91.1	Very high	87.6	Confident	96 Å²	96	54.7 Å²	54.7	36%	0.362	27%	0.266	S	S	.	.	H	α-helix	trans	-66.2	-41.3	-164.4	-172.9	153.4	173	-163.8	-7.9	110.1	V269 E271 Q304 A305 R306 S311 V314	V269-R308 WeakPolarHBondContact O-CD 3.22Å; V269-R308 PolarHBondContact O-NE 2.7Å; V269-R308 PolarHBondContact O-NH1 2.79Å; E271-R308 IonicContact OE1-NH1 2.62Å; Q304-R308 VanDerWaalsContact O-CB 3.31Å; Q304-R308 WeakPolarHBondContact O-CB 3.44Å; Q304-R308 PolarHBondContact O-N 3.34Å; A305-R308 PolarHBondContact O-N 3.33Å; R306-R308 PolarHBondContact O-N 2.97Å; R308-S311 WeakPolarHBondContact O-CB 3.29Å; R308-S311 PolarHBondContact O-OG 3.3Å; R308-V314 HydrophobicContact CG-CG2 3.82Å; R308-V314 VanDerWaalsContact O-CG2 3.31Å; R308-V314 WeakPolarHBondContact O-CG2 3.35Å
309	L	91.5	Very high	87.6	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-74	-46.7	175.4	-58.6	170.6	0	0	0	112.7	F266 V269 T270 L294 A305 R307 S311 V314 V316 V321 V323	F266-L309 HydrophobicContact CD1-CD1 3.88Å; F266-L309 HydrophobicContact CD1-CD2 3.94Å; F266-L309 HydrophobicContact CE1-CD1 3.68Å; F266-L309 HydrophobicContact CE1-CD2 3.66Å; F266-L309 HydrophobicContact CE1-CG 4.31Å; V269-L309 HydrophobicContact CG2-CD2 4.07Å; T270-L309 HydrophobicContact CG2-CD1 4.12Å; T270-L309 HydrophobicContact CG2-CD2 4.39Å; T270-L309 HydrophobicContact CG2-CG 4.16Å; L294-L309 HydrophobicContact CD1-CD1 4.42Å; A305-L309 WeakPolarHBondContact O-CB 3.34Å; A305-L309 VanDerWaalsContact O-CG 3.25Å; A305-L309 WeakPolarHBondContact O-CG 3.34Å; A305-L309 PolarHBondContact O-N 3.42Å; R307-L309 VanDerWaalsContact C-N 3.35Å; R307-L309 PolarHBondContact O-N 3.47Å; L309-S311 PolarHBondContact O-N 3.04Å; L309-V314 HydrophobicContact CD2-CG1 4.08Å; L309-V316 HydrophobicContact CD2-CG2 4.29Å; L309-V321 HydrophobicContact CB-CG2 4.43Å; L309-V321 HydrophobicContact CD2-CG2 4.4Å; L309-V323 HydrophobicContact CB-CB 4.31Å; L309-V323 HydrophobicContact CB-CG2 3.6Å; L309-V323 HydrophobicContact CD1-CG1 4.39Å; L309-V323 HydrophobicContact CD1-CG2 4.01Å; L309-V323 HydrophobicContact CG-CG2 4.43Å
310	M	89.4	Confident	87.6	Confident	78 Å²	78	58.8 Å²	58.8	38%	0.384	29%	0.294	S	S	.	.	H	α-helix	trans	-65	-10.6	175	-67.8	-171.9	-43.7	0	0	114	R306 R307 G312 V323	R306-M310 HydrophobicContact CG-CE 3.75Å; R306-M310 HydrophobicContact CG-CG 4.03Å; R306-M310 HydrophobicContact CG-SD 3.67Å; R306-M310 PolarHBondContact NH2-SD 3.28Å; R306-M310 VanDerWaalsContact NH2-SD 3.41Å; R306-M310 WeakPolarHBondContact O-CB 3.35Å; R306-M310 WeakPolarHBondContact O-CG 3.46Å; R306-M310 PolarHBondContact O-N 2.86Å; R307-M310 PolarHBondContact O-N 2.9Å; M310-G312 PolarHBondContact O-N 2.92Å; M310-V323 HydrophobicContact CG-CB 4.19Å
311	S	85.3	Confident	87.9	Confident	51 Å²	51	53.8 Å²	53.8	36%	0.357	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-17.1	-175.4	73.4	0	0	0	0	114.3	R307 R308 L309 K313	R307-S311 WeakPolarHBondContact O-CB 3.14Å; R307-S311 PolarHBondContact O-N 2.86Å; R308-S311 WeakPolarHBondContact O-CB 3.29Å; R308-S311 PolarHBondContact O-OG 3.3Å; L309-S311 PolarHBondContact O-N 3.04Å; S311-K313 PolarHBondContact O-N 3Å; S311-K313 PolarHBondContact OG-N 2.74Å
312	G	79.1	Confident	88	Confident	43 Å²	43	57.2 Å²	57.2	44%	0.443	29%	0.293	S	S	.	.	S	Bend	trans	67.6	-10.3	-172.1	0	0	0	0	0	114.8	M310	M310-G312 PolarHBondContact O-N 2.92Å
313	K	79.6	Confident	88	Confident	194 Å²	194	57.6 Å²	57.6	84%	0.843	30%	0.296	S	S	*	.	S	Bend	trans	-77.6	-32.1	172.8	-62.6	-170.1	177.6	-171.3	0	111.8	S311	S311-K313 PolarHBondContact O-N 3Å; S311-K313 PolarHBondContact OG-N 2.74Å
314	V	84.4	Confident	88.1	Confident	25 Å²	25	63.2 Å²	63.2	15%	0.152	32%	0.322	C	S	.	.			trans	-87.6	130.4	174.7	-179.5	0	0	0	0	109.1	V269 R308 L309	V269-V314 HydrophobicContact CB-CG1 4.05Å; V269-V314 HydrophobicContact CG1-CG1 3.97Å; V269-V314 HydrophobicContact CG2-CG1 4.24Å; R308-V314 HydrophobicContact CG-CG2 3.82Å; R308-V314 VanDerWaalsContact O-CG2 3.31Å; R308-V314 WeakPolarHBondContact O-CG2 3.35Å; L309-V314 HydrophobicContact CD2-CG1 4.08Å
315	K	84.6	Confident	88.1	Confident	129 Å²	129	64.7 Å²	64.7	56%	0.561	33%	0.326	S	S	*	.			trans	-121.6	137.8	172.2	-75.9	173	154.8	-129.9	0	108.4	G318 N319 V320	K315-G318 VanDerWaalsContact CD-O 3.32Å; K315-G318 WeakPolarHBondContact CD-O 3.32Å; K315-G318 WeakPolarHBondContact CE-O 3.2Å; K315-G318 PolarHBondContact NZ-O 3.42Å; K315-N319 CarbonylContact C-O 3.57Å; K315-N319 WeakPolarHBondContact CA-O 3.47Å; K315-N319 WeakPolarHBondContact CB-O 3.42Å; K315-V320 HydrophobicContact CG-CG2 4.17Å
316	V	84.1	Confident	87.9	Confident	3 Å²	3	65 Å²	65	2%	0.018	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-110.9	119.4	179.5	-162.2	0	0	0	0	106.9	E265 F266 L309 G318 N319 V321	E265-V316 HydrophobicContact CB-CG1 4.39Å; E265-V316 HydrophobicContact CG-CG1 3.55Å; F266-V316 HydrophobicContact CE1-CG1 4.49Å; F266-V316 HydrophobicContact CE1-CG2 3.86Å; F266-V316 HydrophobicContact CE2-CG1 3.97Å; F266-V316 HydrophobicContact CZ-CB 4.32Å; F266-V316 HydrophobicContact CZ-CG1 3.96Å; F266-V316 HydrophobicContact CZ-CG2 3.87Å; L309-V316 HydrophobicContact CD2-CG2 4.29Å; V316-G318 PolarHBondContact O-N 3.03Å; V316-G318 VanDerWaalsContact O-N 3.17Å; V316-N319 PolarHBondContact N-O 3.43Å; V316-N319 PolarHBondContact O-N 3.21Å; V316-V321 HydrophobicContact CB-CG1 4.06Å; V316-V321 HydrophobicContact CG2-CG1 4.04Å; V316-V321 HydrophobicContact CG2-CG2 3.9Å
317	W	86.1	Confident	87.5	Confident	66 Å²	66	69.3 Å²	69.3	25%	0.25	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.4	36.3	-166.2	-48.4	-68.1	0	0	0	114.2	I253 P254 K257 I262 E265 F266 N319	I253-W317 HydrophobicContact CB-CZ3 4.32Å; I253-W317 HydrophobicContact CG2-CZ3 4.28Å; P254-W317 VanDerWaalsContact CD-CZ3 3.49Å; P254-W317 HydrophobicContact CG-CB 4.25Å; P254-W317 HydrophobicContact CG-CD2 4.02Å; P254-W317 HydrophobicContact CG-CE3 3.59Å; P254-W317 HydrophobicContact CG-CG 4.33Å; P254-W317 HydrophobicContact CG-CZ3 4.31Å; K257-W317 HydrophobicContact CD-CZ2 3.9Å; K257-W317 HydrophobicContact CG-CD2 4.47Å; K257-W317 HydrophobicContact CG-CH2 4.29Å; K257-W317 HydrophobicContact CG-CZ2 4.1Å; I262-W317 HydrophobicContact CB-CH2 4.4Å; I262-W317 HydrophobicContact CG1-CH2 3.89Å; E265-W317 HydrophobicContact CB-CH2 4.21Å; E265-W317 HydrophobicContact CB-CZ2 3.48Å; E265-W317 VanDerWaalsContact CB-CZ2 3.48Å; E265-W317 HydrophobicContact CG-CD2 4.38Å; E265-W317 HydrophobicContact CG-CH2 4.46Å; E265-W317 HydrophobicContact CG-CZ2 3.76Å; F266-W317 HydrophobicContact CE2-CH2 4.23Å; F266-W317 HydrophobicContact CE2-CZ3 4.32Å; W317-N319 PolarHBondContact O-N 3Å
318	G	83.4	Confident	86.8	Confident	43 Å²	43	66.8 Å²	66.8	44%	0.443	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.6	-14.7	-178.9	0	0	0	0	0	115.8	K315 V316	K315-G318 VanDerWaalsContact CD-O 3.32Å; K315-G318 WeakPolarHBondContact CD-O 3.32Å; K315-G318 WeakPolarHBondContact CE-O 3.2Å; K315-G318 PolarHBondContact NZ-O 3.42Å; V316-G318 PolarHBondContact O-N 3.03Å; V316-G318 VanDerWaalsContact O-N 3.17Å
319	N	84.1	Confident	86.1	Confident	81 Å²	81	65.7 Å²	65.7	43%	0.433	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-86.7	152.7	178	-69.9	-14	0	0	0	111.9	K315 V316 W317	K315-N319 CarbonylContact C-O 3.57Å; K315-N319 WeakPolarHBondContact CA-O 3.47Å; K315-N319 WeakPolarHBondContact CB-O 3.42Å; V316-N319 PolarHBondContact N-O 3.43Å; V316-N319 PolarHBondContact O-N 3.21Å; W317-N319 PolarHBondContact O-N 3Å
320	V	86.5	Confident	85	Confident	81 Å²	81	70.5 Å²	70.5	49%	0.491	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-88.9	121.2	164.9	-179.8	0	0	0	0	107.2	K315	K315-V320 HydrophobicContact CG-CG2 4.17Å
321	V	91.5	Very high	84	Confident	7 Å²	7	72.3 Å²	72.3	4%	0.042	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-85.8	144	177.8	-69.2	0	0	0	0	110.9	V250 G251 I253 F266 L309 V316 V323	V250-V321 HydrophobicContact CG1-CB 3.93Å; V250-V321 HydrophobicContact CG1-CG1 4.3Å; V250-V321 HydrophobicContact CG1-CG2 4.21Å; G251-V321 WeakPolarHBondContact O-CA 3.45Å; G251-V321 WeakPolarHBondContact O-CB 3.43Å; I253-V321 HydrophobicContact CG2-CG1 4.26Å; F266-V321 HydrophobicContact CE1-CG2 4.35Å; F266-V321 HydrophobicContact CZ-CG1 4.31Å; F266-V321 HydrophobicContact CZ-CG2 4.36Å; L309-V321 HydrophobicContact CB-CG2 4.43Å; L309-V321 HydrophobicContact CD2-CG2 4.4Å; V316-V321 HydrophobicContact CB-CG1 4.06Å; V316-V321 HydrophobicContact CG2-CG1 4.04Å; V316-V321 HydrophobicContact CG2-CG2 3.9Å; V321-V323 HydrophobicContact CB-CG2 4.45Å; V321-V323 HydrophobicContact CG2-CG2 3.84Å
322	T	91.9	Very high	83.3	Confident	71 Å²	71	71.9 Å²	71.9	44%	0.436	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	130.3	171	50.3	0	0	0	0	108.8	V250 G251	V250-T322 CarbonylContact C-O 3.51Å; V250-T322 VanDerWaalsContact CA-O 3.31Å; V250-T322 WeakPolarHBondContact CA-O 3.19Å; G251-T322 VanDerWaalsContact CA-OG1 3.25Å; G251-T322 WeakPolarHBondContact CA-OG1 3.37Å; G251-T322 PolarHBondContact N-O 3.32Å; G251-T322 PolarHBondContact N-OG1 3.05Å; G251-T322 PolarHBondContact O-N 2.91Å; G251-T322 VanDerWaalsContact O-N 3.14Å
323	V	93.2	Very high	83.1	Confident	9 Å²	9	74.5 Å²	74.5	6%	0.055	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	115.5	-174.6	-175.3	0	0	0	0	112.6	L248 F249 V250 R306 L309 M310 V321	L248-V323 HydrophobicContact CB-CG1 4.33Å; L248-V323 HydrophobicContact CD1-CG1 3.88Å; F249-V323 WeakPolarHBondContact O-CA 3.14Å; V250-V323 HydrophobicContact CG1-CG2 4.23Å; V250-V323 HydrophobicContact CG2-CG1 4.26Å; V250-V323 HydrophobicContact CG2-CG2 4.09Å; R306-V323 HydrophobicContact CB-CG1 4.43Å; R306-V323 HydrophobicContact CG-CG1 4.1Å; R306-V323 PolarHBondContact NE-O 2.85Å; L309-V323 HydrophobicContact CB-CB 4.31Å; L309-V323 HydrophobicContact CB-CG2 3.6Å; L309-V323 HydrophobicContact CD1-CG1 4.39Å; L309-V323 HydrophobicContact CD1-CG2 4.01Å; L309-V323 HydrophobicContact CG-CG2 4.43Å; M310-V323 HydrophobicContact CG-CB 4.19Å; V321-V323 HydrophobicContact CB-CG2 4.45Å; V321-V323 HydrophobicContact CG2-CG2 3.84Å
324	E	93.3	Very high	82.9	Confident	118 Å²	118	69.5 Å²	69.5	55%	0.551	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.7	167.9	-178.5	-56.8	-157.5	137.6	0	0	110.7	L248 F249	L248-E324 WeakPolarHBondContact CA-O 3.29Å; F249-E324 HydrophobicContact CB-CB 4.43Å; F249-E324 HydrophobicContact CD1-CB 4.35Å; F249-E324 PolarHBondContact N-O 2.95Å; F249-E324 PolarHBondContact O-N 2.77Å
325	W	92.6	Very high	82.7	Confident	84 Å²	84	75.3 Å²	75.3	32%	0.318	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	137	165.8	-71.2	119.3	0	0	0	108.2	N245 L248 H299 A302 A303	N245-W325 WeakPolarHBondContact O-CZ3 3.24Å; L248-W325 HydrophobicContact CD2-CD2 4.28Å; L248-W325 HydrophobicContact CD2-CE3 3.55Å; L248-W325 HydrophobicContact CD2-CH2 4.42Å; L248-W325 HydrophobicContact CD2-CZ3 3.63Å; H299-W325 AromaticContact CE1-CH2 3.39Å; H299-W325 WeakPolarHBondContact CE1-CH2 3.34Å; H299-W325 AromaticContact CE1-CZ2 3.71Å; H299-W325 AromaticContact ND1-CH2 3.57Å; H299-W325 AromaticContact ND1-CZ3 3.88Å; A302-W325 HydrophobicContact CB-CH2 4.15Å; A302-W325 HydrophobicContact CB-CZ3 3.64Å; A303-W325 HydrophobicContact CB-CH2 3.56Å; A303-W325 HydrophobicContact CB-CZ2 3.83Å
326	A	90.5	Very high	82.5	Confident	9 Å²	9	72.2 Å²	72.2	7%	0.074	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-65.6	148.7	168.7	0	0	0	0	0	109.4	R247 F293	R247-A326 HydrophobicContact CB-CB 3.66Å; R247-A326 WeakPolarHBondContact O-CB 3.45Å; R247-A326 PolarHBondContact O-N 3.14Å; F293-A326 HydrophobicContact CD1-CB 3.71Å; F293-A326 HydrophobicContact CE1-CB 3.97Å
327	D	84.6	Confident	82.4	Confident	145 Å²	145	73.9 Å²	73.9	78%	0.775	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-56.3	132.5	167.3	-85.4	-40.7	0	0	0	109.4	V329	D327-V329 PolarHBondContact O-N 3.21Å
328	P	76.6	Confident	82.2	Confident	69 Å²	69	72.9 Å²	72.9	45%	0.448	41%	0.407	S	S	.	.			trans	-61.7	113.9	-179.7	-21.2	31.7	0	0	0	110.7	V243 E330	V243-P328 HydrophobicContact CB-CB 4.18Å; V243-P328 HydrophobicContact CG1-CB 3.63Å; P328-E330 PolarHBondContact O-N 3.34Å; P328-E330 VanDerWaalsContact O-N 3.1Å
329	V	74.7	Confident	82.3	Confident	73 Å²	73	78.2 Å²	78.2	44%	0.442	42%	0.417	S	S	.	.			trans	-80.2	94.1	179.6	179	0	0	0	0	108.4	D327 E331 K410	D327-V329 PolarHBondContact O-N 3.21Å; V329-E331 PolarHBondContact O-N 3.03Å; V329-K410 VanDerWaalsContact CG1-NZ 3.34Å
330	E	69.2	Low	82.4	Confident	101 Å²	101	75 Å²	75	47%	0.472	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-54.6	121.6	176.7	-64.6	-175.1	-151.8	0	0	110.1	P328 K410	P328-E330 PolarHBondContact O-N 3.34Å; P328-E330 VanDerWaalsContact O-N 3.1Å; E330-K410 PolarHBondContact O-NZ 3.42Å
331	E	69.6	Low	82.6	Confident	116 Å²	116	75.4 Å²	75.4	54%	0.542	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-79.5	118.6	173.5	-72.9	-176.4	178.4	0	0	108.6	V329	V329-E331 PolarHBondContact O-N 3.03Å
332	P	70.3	Confident	82.6	Confident	43 Å²	43	76.5 Å²	76.5	28%	0.279	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-66.9	141.2	179.8	28.1	-35.2	0	0	0	110.8	M337 K410	P332-M337 HydrophobicContact CB-CG 3.9Å; P332-M337 HydrophobicContact CB-SD 3.79Å; P332-M337 HydrophobicContact CG-CE 4.45Å; P332-M337 HydrophobicContact CG-CG 3.61Å; P332-M337 HydrophobicContact CG-SD 3.37Å; P332-M337 WeakPolarHBondContact CG-SD 3.25Å; P332-K410 HydrophobicContact CG-CD 4.36Å; P332-K410 HydrophobicContact CG-CG 4.25Å
333	D	73.2	Confident	82.7	Confident	98 Å²	98	73.1 Å²	73.1	52%	0.524	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-52.4	133.2	-180	-80.9	-55.1	0	0	0	111.8	E335 V336 M337	D333-E335 PolarHBondContact O-N 2.72Å; D333-E335 VanDerWaalsContact O-N 3.14Å; D333-V336 HydrophobicContact CB-CB 4.36Å; D333-V336 HydrophobicContact CB-CG2 3.89Å; D333-V336 WeakPolarHBondContact O-CA 3.47Å; D333-V336 PolarHBondContact O-N 2.67Å; D333-M337 PolarHBondContact O-N 3.18Å
334	P	76.7	Confident	82.7	Confident	88 Å²	88	74.5 Å²	74.5	57%	0.571	39%	0.387	S	S	*	.	H	α-helix	trans	-55	-34.1	179	-28.7	35.8	0	0	0	113.5	V336 M337 A338	P334-V336 VanDerWaalsContact C-N 3.3Å; P334-V336 PolarHBondContact O-N 2.57Å; P334-M337 PolarHBondContact O-N 3.07Å; P334-A338 VanDerWaalsContact O-CB 3.24Å; P334-A338 WeakPolarHBondContact O-CB 2.84Å; P334-A338 PolarHBondContact O-N 2.94Å
335	E	79.2	Confident	82.6	Confident	148 Å²	148	68.9 Å²	68.9	69%	0.692	36%	0.361	S	S	*	.	H	α-helix	trans	-67.8	-26	175.6	-66.5	-175.7	-151.3	0	0	114	D333 K339	D333-E335 PolarHBondContact O-N 2.72Å; D333-E335 VanDerWaalsContact O-N 3.14Å; E335-K339 WeakPolarHBondContact O-CD 2.95Å; E335-K339 WeakPolarHBondContact O-CE 3.36Å; E335-K339 WeakPolarHBondContact O-CG 3.28Å
336	V	81.5	Confident	82.4	Confident	64 Å²	64	68.7 Å²	68.7	39%	0.388	36%	0.36	S	S	.	.	H	α-helix	trans	-85.1	-42.4	175.9	-174	0	0	0	0	109.4	D333 P334 A338 K339 V340 P411	D333-V336 HydrophobicContact CB-CB 4.36Å; D333-V336 HydrophobicContact CB-CG2 3.89Å; D333-V336 WeakPolarHBondContact O-CA 3.47Å; D333-V336 PolarHBondContact O-N 2.67Å; P334-V336 VanDerWaalsContact C-N 3.3Å; P334-V336 PolarHBondContact O-N 2.57Å; V336-A338 VanDerWaalsContact C-N 3.26Å; V336-A338 PolarHBondContact O-N 2.98Å; V336-K339 WeakPolarHBondContact O-CA 3.44Å; V336-K339 WeakPolarHBondContact O-CB 3.37Å; V336-K339 PolarHBondContact O-N 3.48Å; V336-V340 PolarHBondContact O-N 2.98Å; V336-P411 HydrophobicContact CG1-CB 4.29Å; V336-P411 HydrophobicContact CG1-CG 3.62Å
337	M	81.5	Confident	82.2	Confident	38 Å²	38	71.5 Å²	71.5	19%	0.187	37%	0.374	C	S	.	.	H	α-helix	trans	-59.9	-35.5	171.7	-67.3	-57.4	-68.5	0	0	112.4	P332 D333 P334 K339 V340 L408 P411	P332-M337 HydrophobicContact CB-CG 3.9Å; P332-M337 HydrophobicContact CB-SD 3.79Å; P332-M337 HydrophobicContact CG-CE 4.45Å; P332-M337 HydrophobicContact CG-CG 3.61Å; P332-M337 HydrophobicContact CG-SD 3.37Å; P332-M337 WeakPolarHBondContact CG-SD 3.25Å; D333-M337 PolarHBondContact O-N 3.18Å; P334-M337 PolarHBondContact O-N 3.07Å; M337-K339 PolarHBondContact O-N 3.03Å; M337-K339 VanDerWaalsContact O-N 3.11Å; M337-V340 WeakPolarHBondContact O-CB 3.1Å; M337-V340 PolarHBondContact O-N 3.25Å; M337-V340 VanDerWaalsContact O-N 3.12Å; M337-V340 HydrophobicContact SD-CG2 4.11Å; M337-L408 HydrophobicContact CE-CB 3.58Å; M337-L408 HydrophobicContact CE-CD1 4.46Å; M337-P411 HydrophobicContact SD-CG 4.4Å
338	A	82.2	Confident	82.3	Confident	45 Å²	45	64.8 Å²	64.8	37%	0.372	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-10.2	173	0	0	0	0	0	114.4	P334 V336 R384	P334-A338 VanDerWaalsContact O-CB 3.24Å; P334-A338 WeakPolarHBondContact O-CB 2.84Å; P334-A338 PolarHBondContact O-N 2.94Å; V336-A338 VanDerWaalsContact C-N 3.26Å; V336-A338 PolarHBondContact O-N 2.98Å; A338-R384 WeakPolarHBondContact O-CD 3.37Å; A338-R384 PolarHBondContact O-NE 3.27Å; A338-R384 VanDerWaalsContact O-NE 3.13Å
339	K	84.8	Confident	82.6	Confident	154 Å²	154	61.9 Å²	61.9	67%	0.67	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.7	-4.1	176.4	-63.5	167.1	-168.5	167.3	0	112.9	E335 V336 M337	E335-K339 WeakPolarHBondContact O-CD 2.95Å; E335-K339 WeakPolarHBondContact O-CE 3.36Å; E335-K339 WeakPolarHBondContact O-CG 3.28Å; V336-K339 WeakPolarHBondContact O-CA 3.44Å; V336-K339 WeakPolarHBondContact O-CB 3.37Å; V336-K339 PolarHBondContact O-N 3.48Å; M337-K339 PolarHBondContact O-N 3.03Å; M337-K339 VanDerWaalsContact O-N 3.11Å
340	V	86.6	Confident	83	Confident	14 Å²	14	64.1 Å²	64.1	9%	0.085	33%	0.334	C	S	.	.			trans	-69.9	129.7	177.6	171	0	0	0	0	110.2	V336 M337 V342 L408 A409 P411	V336-V340 PolarHBondContact O-N 2.98Å; M337-V340 WeakPolarHBondContact O-CB 3.1Å; M337-V340 PolarHBondContact O-N 3.25Å; M337-V340 VanDerWaalsContact O-N 3.12Å; M337-V340 HydrophobicContact SD-CG2 4.11Å; V340-V342 HydrophobicContact CG1-CB 4.34Å; V340-V342 WeakPolarHBondContact CG1-O 3.44Å; V340-L408 HydrophobicContact CG1-CB 4.32Å; V340-L408 HydrophobicContact CG1-CD2 4.21Å; V340-A409 WeakPolarHBondContact CG1-O 3.47Å; V340-P411 HydrophobicContact CG2-CG 3.88Å
341	K	90.8	Very high	83.8	Confident	89 Å²	89	63.8 Å²	63.8	39%	0.387	34%	0.339	S	S	.	.			trans	-113.8	9.1	170.3	-52.4	-178.3	176.6	-179.4	0	112.7	F381 E382 R384	K341-F381 VanDerWaalsContact CB-O 3.28Å; K341-F381 WeakPolarHBondContact CB-O 3.45Å; K341-F381 PolarHBondContact O-N 2.76Å; K341-E382 WeakPolarHBondContact CD-O 3.25Å; K341-E382 WeakPolarHBondContact CE-O 3.08Å; K341-E382 PolarHBondContact NZ-O 3.36Å; K341-R384 HydrophobicContact CG-CB 4.16Å
342	V	92.4	Very high	84.7	Confident	30 Å²	30	58.4 Å²	58.4	18%	0.182	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	128	-174.9	-172.9	0	0	0	0	108.6	V340 F378 V379 H380 A409	V340-V342 HydrophobicContact CG1-CB 4.34Å; V340-V342 WeakPolarHBondContact CG1-O 3.44Å; V342-F378 HydrophobicContact CG1-CB 4.2Å; V342-F378 HydrophobicContact CG1-CD1 4.41Å; V342-V379 CarbonylContact C-O 3.59Å; V342-V379 WeakPolarHBondContact CA-O 3.29Å; V342-H380 HydrophobicContact CG2-CB 4.33Å; V342-A409 HydrophobicContact CB-CB 3.98Å; V342-A409 HydrophobicContact CG1-CB 3.83Å; V342-A409 VanDerWaalsContact O-CB 3.26Å; V342-A409 WeakPolarHBondContact O-CB 3.48Å; V342-A409 PolarHBondContact O-N 2.9Å
343	L	93.1	Very high	85.6	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	146.7	172.2	-55.5	-175.4	0	0	0	110.3	F361 F378 V379 F381 A387 A390 M391 I406 L408	L343-F361 HydrophobicContact CD1-CD1 4.41Å; L343-F361 HydrophobicContact CD1-CE1 4.11Å; L343-F378 CarbonylContact O-C 3.33Å; L343-F378 VanDerWaalsContact O-CA 3.3Å; L343-F378 WeakPolarHBondContact O-CA 3.12Å; L343-V379 HydrophobicContact CB-CB 4.37Å; L343-V379 PolarHBondContact N-O 2.85Å; L343-V379 PolarHBondContact O-N 3.25Å; L343-F381 HydrophobicContact CD1-CD2 4.38Å; L343-F381 HydrophobicContact CD1-CE2 3.72Å; L343-F381 HydrophobicContact CG-CD2 4.35Å; L343-F381 HydrophobicContact CG-CE2 4.13Å; L343-A387 WeakPolarHBondContact CD1-O 3.07Å; L343-A387 HydrophobicContact CD2-CB 4.07Å; L343-A387 WeakPolarHBondContact CD2-O 3.25Å; L343-A387 HydrophobicContact CG-CB 4.34Å; L343-A390 HydrophobicContact CD1-CB 3.89Å; L343-M391 HydrophobicContact CD1-CB 4.25Å; L343-M391 HydrophobicContact CD2-CB 4.04Å; L343-I406 HydrophobicContact CB-CG2 3.94Å; L343-I406 HydrophobicContact CD1-CG2 3.91Å; L343-I406 HydrophobicContact CD2-CG2 4.45Å; L343-I406 HydrophobicContact CG-CG2 4.32Å; L343-L408 HydrophobicContact CD2-CD2 3.94Å
344	F	92.6	Very high	86.5	Confident	39 Å²	39	58.7 Å²	58.7	17%	0.171	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	108.2	171.5	174.3	-133.2	0	0	0	107.4	R346 Y376 A377 F378 V407 A409	F344-R346 HydrophobicContact CD1-CG 4.47Å; F344-R346 HydrophobicContact CE1-CG 3.97Å; F344-R346 HydrophobicContact CE2-CG 4.32Å; F344-R346 HydrophobicContact CZ-CG 3.88Å; F344-Y376 HydrophobicContact CD2-CD2 4.4Å; F344-Y376 AromaticContact CE2-CD2 3.61Å; F344-Y376 HydrophobicContact CE2-CD2 3.61Å; F344-Y376 HydrophobicContact CE2-CE2 4.35Å; F344-Y376 AromaticContact CE2-CG 3.9Å; F344-Y376 HydrophobicContact CE2-CG 3.9Å; F344-A377 WeakPolarHBondContact CA-O 3.3Å; F344-F378 HydrophobicContact CB-CD1 4.23Å; F344-F378 HydrophobicContact CB-CE1 4.06Å; F344-F378 AromaticContact CD2-CD1 3.99Å; F344-F378 HydrophobicContact CD2-CD1 3.99Å; F344-F378 AromaticContact CD2-CE1 3.42Å; F344-F378 HydrophobicContact CD2-CE1 3.42Å; F344-F378 VanDerWaalsContact CD2-CE1 3.42Å; F344-F378 AromaticContact CD2-CZ 3.74Å; F344-F378 HydrophobicContact CD2-CZ 3.74Å; F344-F378 HydrophobicContact CE2-CE1 4.09Å; F344-F378 AromaticContact CE2-CZ 3.93Å; F344-F378 HydrophobicContact CE2-CZ 3.93Å; F344-F378 AromaticContact CG-CE1 3.97Å; F344-F378 HydrophobicContact CG-CE1 3.97Å; F344-V407 HydrophobicContact CB-CG2 4.17Å; F344-V407 HydrophobicContact CD1-CG2 3.78Å; F344-V407 HydrophobicContact CG-CG2 4.45Å; F344-V407 PolarHBondContact N-O 3.35Å; F344-V407 PolarHBondContact O-N 3.47Å; F344-V407 VanDerWaalsContact O-N 3.1Å; F344-A409 HydrophobicContact CB-CB 3.81Å
345	V	92	Very high	87.2	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	132	-176.9	-173.3	0	0	0	0	108.3	L348 F361 Y376 A377 V379 I404 E405 I406	V345-L348 HydrophobicContact CB-CD1 4.46Å; V345-L348 HydrophobicContact CG1-CD1 4.21Å; V345-L348 HydrophobicContact CG1-CD2 3.76Å; V345-L348 HydrophobicContact CG1-CG 4.02Å; V345-F361 HydrophobicContact CG1-CZ 4.47Å; V345-F361 HydrophobicContact CG2-CE1 4.38Å; V345-F361 HydrophobicContact CG2-CE2 4Å; V345-F361 HydrophobicContact CG2-CZ 3.62Å; V345-Y376 CarbonylContact O-C 3.54Å; V345-Y376 WeakPolarHBondContact O-CA 3.09Å; V345-Y376 VanDerWaalsContact O-CB 3.22Å; V345-Y376 WeakPolarHBondContact O-CB 3.39Å; V345-A377 HydrophobicContact CB-CB 4.5Å; V345-A377 PolarHBondContact N-O 3.43Å; V345-A377 PolarHBondContact O-N 2.92Å; V345-V379 HydrophobicContact CG2-CG2 4.02Å; V345-I404 HydrophobicContact CG1-CB 3.99Å; V345-I404 HydrophobicContact CG1-CD1 3.99Å; V345-I404 HydrophobicContact CG1-CG1 4.42Å; V345-I404 HydrophobicContact CG1-CG2 4.47Å; V345-E405 CarbonylContact C-O 3.6Å; V345-E405 WeakPolarHBondContact CA-O 3.34Å; V345-I406 HydrophobicContact CG1-CG1 4.31Å; V345-I406 HydrophobicContact CG2-CG1 4.36Å; V345-I406 HydrophobicContact CG2-CG2 4.33Å
346	R	87.8	Confident	87.8	Confident	79 Å²	79	57.4 Å²	57.4	30%	0.298	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	168.4	-176.6	-85.4	178.5	162.2	-172.1	-3	111.3	F344 L348 I404 E405	F344-R346 HydrophobicContact CD1-CG 4.47Å; F344-R346 HydrophobicContact CE1-CG 3.97Å; F344-R346 HydrophobicContact CE2-CG 4.32Å; F344-R346 HydrophobicContact CZ-CG 3.88Å; R346-L348 VanDerWaalsContact C-N 3.28Å; R346-L348 PolarHBondContact O-N 3.09Å; R346-I404 WeakPolarHBondContact O-CA 3.2Å; R346-E405 HydrophobicContact CB-CB 4.04Å; R346-E405 WeakPolarHBondContact CD-OE2 3.45Å; R346-E405 PolarHBondContact N-O 3.34Å; R346-E405 IonicContact NH1-OE2 2.79Å; R346-E405 PolarHBondContact NH1-OE2 3.17Å; R346-E405 PolarHBondContact O-N 3.41Å; R346-E405 VanDerWaalsContact O-N 3.1Å
347	N	86.5	Confident	88.3	Confident	69 Å²	69	54.3 Å²	54.3	37%	0.369	28%	0.281	S	S	.	.	S	Bend	trans	61.8	33.8	-179.1	-161.2	41	0	0	0	113	K285 D375 E403	K285-N347 PolarHBondContact NZ-OD1 2.98Å; N347-D375 PolarHBondContact N-O 2.78Å; N347-E403 PolarHBondContact ND2-O 2.83Å
348	L	86.2	Confident	88.8	Confident	3 Å²	3	57.5 Å²	57.5	2%	0.016	30%	0.296	C	S	.	.			trans	-79	140	178.1	-67.7	176.4	0	0	0	112	V345 R346 V352 L357 K372 D375 A377 E402 I404	V345-L348 HydrophobicContact CB-CD1 4.46Å; V345-L348 HydrophobicContact CG1-CD1 4.21Å; V345-L348 HydrophobicContact CG1-CD2 3.76Å; V345-L348 HydrophobicContact CG1-CG 4.02Å; R346-L348 VanDerWaalsContact C-N 3.28Å; R346-L348 PolarHBondContact O-N 3.09Å; L348-V352 HydrophobicContact CD2-CG1 4.48Å; L348-L357 HydrophobicContact CD1-CD1 3.97Å; L348-L357 HydrophobicContact CD1-CD2 4.15Å; L348-L357 HydrophobicContact CD2-CD2 3.9Å; L348-K372 HydrophobicContact CD1-CG 4.46Å; L348-D375 PolarHBondContact N-O 3.27Å; L348-A377 HydrophobicContact CD1-CB 3.54Å; L348-E402 VanDerWaalsContact C-OE2 3.27Å; L348-I404 HydrophobicContact CD2-CG2 3.67Å
349	A	83.5	Confident	89.2	Confident	8 Å²	8	63.6 Å²	63.6	7%	0.066	31%	0.314	C	S	.	.			trans	-66.6	148.1	175	0	0	0	0	0	111	T351 V352 K372 E400 E402	A349-T351 WeakPolarHBondContact CB-OG1 3.48Å; A349-T351 PolarHBondContact O-N 3.49Å; A349-V352 HydrophobicContact CB-CG2 4.11Å; A349-V352 PolarHBondContact O-N 3.44Å; A349-V352 VanDerWaalsContact O-N 3.14Å; A349-K372 PolarHBondContact O-NZ 3.34Å; A349-E400 HydrophobicContact CB-CB 4.24Å; A349-E402 WeakPolarHBondContact CA-OE2 3.29Å; A349-E402 HydrophobicContact CB-CG 4.11Å; A349-E402 VanDerWaalsContact CB-OE2 3.28Å; A349-E402 WeakPolarHBondContact CB-OE2 3.32Å; A349-E402 PolarHBondContact N-OE2 3.5Å
350	T	83.1	Confident	89.5	Confident	121 Å²	121	57.4 Å²	57.4	74%	0.742	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-33.4	176.5	-50.7	0	0	0	0	111.5	K372	T350-K372 PolarHBondContact O-NZ 2.89Å; T350-K372 VanDerWaalsContact O-NZ 3.15Å
351	T	86.3	Confident	89.8	Confident	94 Å²	94	56.8 Å²	56.8	58%	0.577	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-28.9	178.2	46.5	0	0	0	0	115.2	A349 T353	A349-T351 WeakPolarHBondContact CB-OG1 3.48Å; A349-T351 PolarHBondContact O-N 3.49Å; T351-T353 PolarHBondContact O-N 2.73Å
352	V	88.3	Confident	89.7	Confident	3 Å²	3	55.2 Å²	55.2	2%	0.018	29%	0.287	C	S	.	.			trans	-62.4	124	-177.7	170	0	0	0	0	110.3	L348 A349 I356 L357 K372 I399 E400	L348-V352 HydrophobicContact CD2-CG1 4.48Å; A349-V352 HydrophobicContact CB-CG2 4.11Å; A349-V352 PolarHBondContact O-N 3.44Å; A349-V352 VanDerWaalsContact O-N 3.14Å; V352-I356 HydrophobicContact CG1-CB 4.34Å; V352-I356 HydrophobicContact CG1-CG2 4.2Å; V352-L357 HydrophobicContact CG1-CD1 4.06Å; V352-L357 HydrophobicContact CG1-CD2 3.93Å; V352-L357 HydrophobicContact CG1-CG 3.64Å; V352-K372 WeakPolarHBondContact O-CD 3.31Å; V352-K372 VanDerWaalsContact O-CE 3.24Å; V352-K372 WeakPolarHBondContact O-CE 3.3Å; V352-K372 PolarHBondContact O-NZ 2.86Å; V352-I399 HydrophobicContact CG2-CG2 3.75Å; V352-E400 HydrophobicContact CG2-CB 3.89Å; V352-E400 HydrophobicContact CG2-CG 3.61Å
353	T	90.3	Very high	89.7	Confident	57 Å²	57	61.4 Å²	61.4	35%	0.35	31%	0.313	S	S	.	.			trans	-90.2	167.7	175.5	62.2	0	0	0	0	111.6	T351 E355 I356 L357	T351-T353 PolarHBondContact O-N 2.73Å; T353-E355 PolarHBondContact O-N 2.74Å; T353-I356 PolarHBondContact O-N 3.49Å; T353-I356 WeakPolarHBondContact OG1-CG1 3.43Å; T353-I356 PolarHBondContact OG1-N 2.76Å; T353-L357 PolarHBondContact O-N 3.42Å
354	E	91.6	Very high	89.6	Confident	89 Å²	89	62.3 Å²	62.3	42%	0.416	32%	0.317	S	S	.	.	H	α-helix	trans	-61.6	-32.7	170.8	-66.3	-176.5	156.1	0	0	111.4	L357 E358 V370 K371 K372	E354-L357 PolarHBondContact O-N 3.16Å; E354-E358 WeakPolarHBondContact O-CB 3Å; E354-E358 PolarHBondContact O-N 3.41Å; E354-V370 HydrophobicContact CB-CG1 4.18Å; E354-V370 HydrophobicContact CG-CG1 4.38Å; E354-K371 VanDerWaalsContact OE1-CA 3.28Å; E354-K371 WeakPolarHBondContact OE1-CA 3.23Å; E354-K372 HydrophobicContact CG-CB 3.69Å; E354-K372 PolarHBondContact OE1-N 2.86Å
355	E	91.3	Very high	89.5	Confident	152 Å²	152	61.5 Å²	61.5	71%	0.71	32%	0.32	S	S	*	.	H	α-helix	trans	-65.3	-41.1	176.3	-55	171.5	164	0	0	112.9	T353 L357 E358 K359	T353-E355 PolarHBondContact O-N 2.74Å; E355-L357 VanDerWaalsContact C-N 3.31Å; E355-L357 PolarHBondContact O-N 3.22Å; E355-E358 PolarHBondContact O-N 3.08Å; E355-K359 VanDerWaalsContact O-CB 3.31Å; E355-K359 WeakPolarHBondContact O-CB 3.33Å; E355-K359 PolarHBondContact O-N 3.01Å
356	I	91	Very high	89.5	Confident	57 Å²	57	68 Å²	68	29%	0.292	35%	0.349	S	S	.	.	H	α-helix	trans	-63.6	-41	176.4	-70.7	169.5	0	0	0	110.1	V352 T353 S360 I399	V352-I356 HydrophobicContact CG1-CB 4.34Å; V352-I356 HydrophobicContact CG1-CG2 4.2Å; T353-I356 PolarHBondContact O-N 3.49Å; T353-I356 WeakPolarHBondContact OG1-CG1 3.43Å; T353-I356 PolarHBondContact OG1-N 2.76Å; I356-S360 WeakPolarHBondContact O-CB 3.2Å; I356-S360 PolarHBondContact O-N 3.05Å; I356-S360 PolarHBondContact O-OG 3.16Å; I356-I399 HydrophobicContact CG2-CG2 4.08Å
357	L	91.7	Very high	89.6	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-67.9	-44.4	175	-67.2	166.9	0	0	0	111.7	L348 V352 T353 E354 E355 K359 S360 F361 V370 K372 A377	L348-L357 HydrophobicContact CD1-CD1 3.97Å; L348-L357 HydrophobicContact CD1-CD2 4.15Å; L348-L357 HydrophobicContact CD2-CD2 3.9Å; V352-L357 HydrophobicContact CG1-CD1 4.06Å; V352-L357 HydrophobicContact CG1-CD2 3.93Å; V352-L357 HydrophobicContact CG1-CG 3.64Å; T353-L357 PolarHBondContact O-N 3.42Å; E354-L357 PolarHBondContact O-N 3.16Å; E355-L357 VanDerWaalsContact C-N 3.31Å; E355-L357 PolarHBondContact O-N 3.22Å; L357-K359 VanDerWaalsContact C-N 3.3Å; L357-K359 PolarHBondContact O-N 2.71Å; L357-S360 PolarHBondContact O-N 3.19Å; L357-S360 PolarHBondContact O-OG 2.87Å; L357-F361 HydrophobicContact CB-CD2 4.44Å; L357-F361 HydrophobicContact CD2-CD2 4.32Å; L357-F361 HydrophobicContact CD2-CE2 3.94Å; L357-F361 WeakPolarHBondContact O-CB 3.31Å; L357-F361 VanDerWaalsContact O-CD2 3.31Å; L357-F361 WeakPolarHBondContact O-CD2 3.5Å; L357-F361 PolarHBondContact O-N 3.34Å; L357-V370 HydrophobicContact CB-CG1 3.83Å; L357-V370 HydrophobicContact CD1-CG1 4.09Å; L357-K372 HydrophobicContact CD1-CB 4.35Å; L357-K372 HydrophobicContact CD1-CG 4.44Å; L357-A377 HydrophobicContact CD1-CB 3.64Å
358	E	92	Very high	89.8	Confident	104 Å²	104	69 Å²	69	49%	0.486	36%	0.355	S	S	.	.	H	α-helix	trans	-60.7	-44	178	-166.1	175.9	172.2	0	0	110.4	E354 E355 S362 L367 V370	E354-E358 WeakPolarHBondContact O-CB 3Å; E354-E358 PolarHBondContact O-N 3.41Å; E355-E358 PolarHBondContact O-N 3.08Å; E358-S362 WeakPolarHBondContact O-CB 3.45Å; E358-S362 PolarHBondContact O-N 2.99Å; E358-S362 PolarHBondContact O-OG 3.22Å; E358-L367 HydrophobicContact CB-CD1 4.33Å; E358-L367 HydrophobicContact CG-CD1 3.73Å; E358-L367 WeakPolarHBondContact O-CD1 3.23Å; E358-V370 HydrophobicContact CB-CG2 3.89Å; E358-V370 HydrophobicContact CG-CG2 4.21Å
359	K	92	Very high	90	Very high	173 Å²	173	75.3 Å²	75.3	75%	0.752	38%	0.379	S	S	*	.	H	α-helix	trans	-62.8	-43.3	174.5	-174.2	178	177.1	-174.8	0	113	E355 L357 S362	E355-K359 VanDerWaalsContact O-CB 3.31Å; E355-K359 WeakPolarHBondContact O-CB 3.33Å; E355-K359 PolarHBondContact O-N 3.01Å; L357-K359 VanDerWaalsContact C-N 3.3Å; L357-K359 PolarHBondContact O-N 2.71Å; K359-S362 PolarHBondContact O-OG 3.37Å
360	S	90.4	Very high	90.5	Very high	25 Å²	25	75.6 Å²	75.6	18%	0.175	38%	0.38	C	S	.	.	H	α-helix	trans	-75	-30.2	-178.5	69.7	0	0	0	0	113.5	I356 L357 F364	I356-S360 WeakPolarHBondContact O-CB 3.2Å; I356-S360 PolarHBondContact O-N 3.05Å; I356-S360 PolarHBondContact O-OG 3.16Å; L357-S360 PolarHBondContact O-N 3.19Å; L357-S360 PolarHBondContact O-OG 2.87Å; S360-F364 VanDerWaalsContact O-CE2 3.31Å; S360-F364 WeakPolarHBondContact O-CE2 3.43Å
361	F	92.3	Very high	91	Very high	0 Å²	0	74.8 Å²	74.8	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-92.4	-21.7	-178.7	-78.7	-81	0	0	0	114.4	L343 V345 L357 E363 F364 L367 V379 F381 A390 M394 I404 I406	L343-F361 HydrophobicContact CD1-CD1 4.41Å; L343-F361 HydrophobicContact CD1-CE1 4.11Å; V345-F361 HydrophobicContact CG1-CZ 4.47Å; V345-F361 HydrophobicContact CG2-CE1 4.38Å; V345-F361 HydrophobicContact CG2-CE2 4Å; V345-F361 HydrophobicContact CG2-CZ 3.62Å; L357-F361 HydrophobicContact CB-CD2 4.44Å; L357-F361 HydrophobicContact CD2-CD2 4.32Å; L357-F361 HydrophobicContact CD2-CE2 3.94Å; L357-F361 WeakPolarHBondContact O-CB 3.31Å; L357-F361 VanDerWaalsContact O-CD2 3.31Å; L357-F361 WeakPolarHBondContact O-CD2 3.5Å; L357-F361 PolarHBondContact O-N 3.34Å; F361-E363 VanDerWaalsContact C-N 3.26Å; F361-E363 PolarHBondContact O-N 2.99Å; F361-F364 PolarHBondContact O-N 2.99Å; F361-L367 HydrophobicContact CB-CD1 4.06Å; F361-L367 HydrophobicContact CB-CD2 4.22Å; F361-V379 HydrophobicContact CB-CG1 3.77Å; F361-V379 HydrophobicContact CD1-CG1 4.15Å; F361-V379 HydrophobicContact CD2-CG1 4.4Å; F361-V379 HydrophobicContact CD2-CG2 3.94Å; F361-V379 HydrophobicContact CE2-CG2 4.17Å; F361-V379 HydrophobicContact CG-CG1 3.85Å; F361-V379 HydrophobicContact CG-CG2 4.18Å; F361-F381 HydrophobicContact CB-CZ 4.02Å; F361-F381 HydrophobicContact CD1-CE2 4.22Å; F361-F381 HydrophobicContact CD1-CZ 4.02Å; F361-F381 WeakPolarHBondContact O-CE1 3.41Å; F361-F381 WeakPolarHBondContact O-CZ 3.42Å; F361-A390 HydrophobicContact CD1-CB 4.08Å; F361-A390 HydrophobicContact CE1-CB 4.41Å; F361-M394 HydrophobicContact CE1-CB 4.25Å; F361-M394 HydrophobicContact CE1-CG 4.35Å; F361-M394 HydrophobicContact CZ-CB 4.46Å; F361-I404 HydrophobicContact CE2-CD1 4.47Å; F361-I404 HydrophobicContact CZ-CD1 4.07Å; F361-I406 HydrophobicContact CE1-CD1 3.83Å; F361-I406 HydrophobicContact CZ-CD1 3.7Å
362	S	90.2	Very high	91.1	Very high	57 Å²	57	71.9 Å²	71.9	40%	0.399	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-70	-17.6	178.3	49	0	0	0	0	114.5	E358 K359 F364 G365	E358-S362 WeakPolarHBondContact O-CB 3.45Å; E358-S362 PolarHBondContact O-N 2.99Å; E358-S362 PolarHBondContact O-OG 3.22Å; K359-S362 PolarHBondContact O-OG 3.37Å; S362-F364 PolarHBondContact O-N 3.45Å; S362-G365 WeakPolarHBondContact CA-O 3.36Å; S362-G365 PolarHBondContact O-N 3.21Å
363	E	90.8	Very high	91	Very high	159 Å²	159	74.5 Å²	74.5	74%	0.743	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-59.2	-29.9	172.4	-173.7	174.9	175.1	0	0	112.4	F361	F361-E363 VanDerWaalsContact C-N 3.26Å; F361-E363 PolarHBondContact O-N 2.99Å
364	F	91.4	Very high	90.7	Very high	19 Å²	19	80 Å²	80	8%	0.083	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-88.7	-14.7	-177.9	-53.9	-77.2	0	0	0	113.8	S360 F361 S362 F381 A386 K389 A390 E393 M394	S360-F364 VanDerWaalsContact O-CE2 3.31Å; S360-F364 WeakPolarHBondContact O-CE2 3.43Å; F361-F364 PolarHBondContact O-N 2.99Å; S362-F364 PolarHBondContact O-N 3.45Å; F364-F381 HydrophobicContact CB-CE1 4.2Å; F364-F381 HydrophobicContact CB-CZ 4.42Å; F364-A386 WeakPolarHBondContact O-CB 3.04Å; F364-K389 HydrophobicContact CD1-CD 4.18Å; F364-K389 HydrophobicContact CD1-CG 4.28Å; F364-A390 HydrophobicContact CB-CB 3.66Å; F364-A390 HydrophobicContact CD1-CB 4.34Å; F364-A390 HydrophobicContact CD2-CB 3.67Å; F364-A390 HydrophobicContact CG-CB 3.59Å; F364-E393 HydrophobicContact CE1-CB 3.77Å; F364-E393 WeakPolarHBondContact CE1-OE2 3Å; F364-E393 HydrophobicContact CZ-CB 4.36Å; F364-M394 HydrophobicContact CD2-CG 4.25Å; F364-M394 HydrophobicContact CE1-CG 4.41Å; F364-M394 HydrophobicContact CE2-CG 3.29Å; F364-M394 HydrophobicContact CE2-SD 3.62Å; F364-M394 HydrophobicContact CZ-CG 3.41Å; F364-M394 VanDerWaalsContact CZ-CG 3.41Å; F364-M394 HydrophobicContact CZ-SD 3.55Å; F364-M394 VanDerWaalsContact CZ-SD 3.55Å
365	G	90.5	Very high	90.4	Very high	23 Å²	23	78.3 Å²	78.3	24%	0.237	37%	0.371	C	S	.	.	S	Bend	trans	155.7	172.2	179.3	0	0	0	0	0	113.3	S362 L367	S362-G365 WeakPolarHBondContact CA-O 3.36Å; S362-G365 PolarHBondContact O-N 3.21Å; G365-L367 PolarHBondContact O-N 3.34Å
366	K	91.3	Very high	90.4	Very high	136 Å²	136	74.5 Å²	74.5	59%	0.591	35%	0.351	S	S	*	.			trans	-65.7	124.9	-176.3	179.7	154.2	160.2	-90.1	0	111.6	E382	K366-E382 HydrophobicContact CB-CB 4.44Å; K366-E382 VanDerWaalsContact CD-OE2 3.23Å; K366-E382 WeakPolarHBondContact CD-OE2 3.07Å; K366-E382 VanDerWaalsContact CG-OE2 3.3Å; K366-E382 WeakPolarHBondContact CG-OE2 3.44Å; K366-E382 IonicContact NZ-OE1 3.22Å; K366-E382 PolarHBondContact NZ-OE1 2.57Å; K366-E382 IonicContact NZ-OE2 2.7Å; K366-E382 PolarHBondContact NZ-OE2 2.93Å; K366-E382 WeakPolarHBondContact O-CB 3.46Å; K366-E382 PolarHBondContact O-N 2.87Å
367	L	90.9	Very high	90.4	Very high	27 Å²	27	71.8 Å²	71.8	14%	0.141	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	141.6	176.2	-64.4	175.8	0	0	0	110.6	E358 F361 G365 V370 V379 H380 F381	E358-L367 HydrophobicContact CB-CD1 4.33Å; E358-L367 HydrophobicContact CG-CD1 3.73Å; E358-L367 WeakPolarHBondContact O-CD1 3.23Å; F361-L367 HydrophobicContact CB-CD1 4.06Å; F361-L367 HydrophobicContact CB-CD2 4.22Å; G365-L367 PolarHBondContact O-N 3.34Å; L367-V370 HydrophobicContact CD1-CG2 4.01Å; L367-V379 HydrophobicContact CD2-CG1 3.47Å; L367-V379 VanDerWaalsContact CD2-CG1 3.47Å; L367-H380 WeakPolarHBondContact CA-O 3.19Å; L367-F381 HydrophobicContact CD2-CD1 3.68Å; L367-F381 HydrophobicContact CD2-CD2 4.09Å; L367-F381 HydrophobicContact CD2-CE1 3.53Å; L367-F381 HydrophobicContact CD2-CE2 3.95Å; L367-F381 HydrophobicContact CD2-CG 3.97Å; L367-F381 HydrophobicContact CD2-CZ 3.68Å; L367-F381 HydrophobicContact CG-CE1 4.49Å
368	E	91.2	Very high	90.5	Very high	141 Å²	141	74.6 Å²	74.6	66%	0.659	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	-41.2	169.9	174.8	-170	-137.8	0	0	110.2	H380	E368-H380 HydrophobicContact CB-CB 3.87Å; E368-H380 HydrophobicContact CG-CB 4.42Å; E368-H380 PolarHBondContact N-O 3.38Å; E368-H380 WeakPolarHBondContact OE2-CB 3.33Å; E368-H380 IonicContact OE2-CG 2.77Å; E368-H380 IonicContact OE2-ND1 2.69Å; E368-H380 PolarHBondContact OE2-ND1 2.79Å
369	R	90.5	Very high	90.6	Very high	137 Å²	137	69.7 Å²	69.7	52%	0.517	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.1	137.9	-179.9	-173.9	177.9	65.7	-172.9	-1.6	112.1	H380	R369-H380 HydrophobicContact CB-CB 4.37Å; R369-H380 PolarHBondContact NH2-CE1 2.79Å; R369-H380 PolarHBondContact NH2-NE2 3.34Å; R369-H380 VanDerWaalsContact O-CB 3.32Å; R369-H380 WeakPolarHBondContact O-CB 3.42Å; R369-H380 PolarHBondContact O-N 2.78Å
370	V	93.3	Very high	90.7	Very high	14 Å²	14	63 Å²	63	9%	0.085	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	145.8	160.7	178.7	0	0	0	0	109.8	E354 L357 E358 L367 F378 V379	E354-V370 HydrophobicContact CB-CG1 4.18Å; E354-V370 HydrophobicContact CG-CG1 4.38Å; L357-V370 HydrophobicContact CB-CG1 3.83Å; L357-V370 HydrophobicContact CD1-CG1 4.09Å; E358-V370 HydrophobicContact CB-CG2 3.89Å; E358-V370 HydrophobicContact CG-CG2 4.21Å; L367-V370 HydrophobicContact CD1-CG2 4.01Å; V370-F378 CarbonylContact C-O 3.55Å; V370-V379 HydrophobicContact CG2-CG1 4.47Å
371	K	92.6	Very high	90.9	Very high	103 Å²	103	61.9 Å²	61.9	45%	0.448	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	114.7	166.6	-173.5	173.5	-178.4	167.7	0	112	E354 L373 A377 F378	E354-K371 VanDerWaalsContact OE1-CA 3.28Å; E354-K371 WeakPolarHBondContact OE1-CA 3.23Å; K371-L373 HydrophobicContact CD-CD1 4.24Å; K371-L373 HydrophobicContact CG-CD1 3.96Å; K371-A377 CarbonylContact O-C 3.1Å; K371-A377 VanDerWaalsContact O-CA 3.26Å; K371-A377 WeakPolarHBondContact O-CA 3.37Å; K371-F378 PolarHBondContact N-O 3.14Å; K371-F378 PolarHBondContact O-N 2.85Å
372	K	90.1	Very high	90.8	Very high	34 Å²	34	66.8 Å²	66.8	15%	0.148	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	145.4	173.2	-164.4	-171.8	-175.2	-160.1	0	110.9	L348 A349 T350 V352 E354 L357 K374 Y376 A377	L348-K372 HydrophobicContact CD1-CG 4.46Å; A349-K372 PolarHBondContact O-NZ 3.34Å; T350-K372 PolarHBondContact O-NZ 2.89Å; T350-K372 VanDerWaalsContact O-NZ 3.15Å; V352-K372 WeakPolarHBondContact O-CD 3.31Å; V352-K372 VanDerWaalsContact O-CE 3.24Å; V352-K372 WeakPolarHBondContact O-CE 3.3Å; V352-K372 PolarHBondContact O-NZ 2.86Å; E354-K372 HydrophobicContact CG-CB 3.69Å; E354-K372 PolarHBondContact OE1-N 2.86Å; L357-K372 HydrophobicContact CD1-CB 4.35Å; L357-K372 HydrophobicContact CD1-CG 4.44Å; K372-K374 WeakPolarHBondContact CE-O 3.31Å; K372-K374 PolarHBondContact NZ-O 3.41Å; K372-Y376 WeakPolarHBondContact CG-O 3.33Å; K372-A377 HydrophobicContact CB-CB 4.31Å; K372-A377 HydrophobicContact CG-CB 4.35Å
373	L	85.9	Confident	90.9	Very high	57 Å²	57	68.4 Å²	68.4	30%	0.298	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	110.7	168	-63.1	89.5	0	0	0	108.2	K371 D375 Y376 F378	K371-L373 HydrophobicContact CD-CD1 4.24Å; K371-L373 HydrophobicContact CG-CD1 3.96Å; L373-D375 PolarHBondContact O-N 2.72Å; L373-Y376 CarbonylContact C-O 3.51Å; L373-Y376 HydrophobicContact CB-CD2 4.14Å; L373-Y376 HydrophobicContact CB-CE1 4.33Å; L373-Y376 HydrophobicContact CB-CE2 3.61Å; L373-Y376 HydrophobicContact CD1-CE2 4.03Å; L373-Y376 HydrophobicContact CD2-CE2 4.24Å; L373-Y376 HydrophobicContact CG-CE2 4.18Å; L373-Y376 PolarHBondContact N-O 2.94Å; L373-Y376 WeakPolarHBondContact O-CD1 3.39Å; L373-Y376 PolarHBondContact O-N 3.35Å; L373-Y376 VanDerWaalsContact O-O 3.04Å; L373-F378 HydrophobicContact CD1-CD2 3.99Å; L373-F378 HydrophobicContact CD1-CE2 4.16Å
374	K	84.2	Confident	90.9	Very high	174 Å²	174	65.9 Å²	65.9	76%	0.757	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	-102.7	178.1	-57.6	-171.8	178.9	-168.6	0	112.9	K372	K372-K374 WeakPolarHBondContact CE-O 3.31Å; K372-K374 PolarHBondContact NZ-O 3.41Å
375	D	85.3	Confident	90.9	Very high	52 Å²	52	67.1 Å²	67.1	28%	0.278	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	5	-173.8	56.3	-50.7	0	0	0	114.3	N347 L348 L373	N347-D375 PolarHBondContact N-O 2.78Å; L348-D375 PolarHBondContact N-O 3.27Å; L373-D375 PolarHBondContact O-N 2.72Å
376	Y	90	Very high	91	Very high	72 Å²	72	66.6 Å²	66.6	28%	0.282	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	166.6	-179.4	60.5	-91.3	0	0	0	113	F344 V345 K372 L373 F378	F344-Y376 HydrophobicContact CD2-CD2 4.4Å; F344-Y376 AromaticContact CE2-CD2 3.61Å; F344-Y376 HydrophobicContact CE2-CD2 3.61Å; F344-Y376 HydrophobicContact CE2-CE2 4.35Å; F344-Y376 AromaticContact CE2-CG 3.9Å; F344-Y376 HydrophobicContact CE2-CG 3.9Å; V345-Y376 CarbonylContact O-C 3.54Å; V345-Y376 WeakPolarHBondContact O-CA 3.09Å; V345-Y376 VanDerWaalsContact O-CB 3.22Å; V345-Y376 WeakPolarHBondContact O-CB 3.39Å; K372-Y376 WeakPolarHBondContact CG-O 3.33Å; L373-Y376 CarbonylContact C-O 3.51Å; L373-Y376 HydrophobicContact CB-CD2 4.14Å; L373-Y376 HydrophobicContact CB-CE1 4.33Å; L373-Y376 HydrophobicContact CB-CE2 3.61Å; L373-Y376 HydrophobicContact CD1-CE2 4.03Å; L373-Y376 HydrophobicContact CD2-CE2 4.24Å; L373-Y376 HydrophobicContact CG-CE2 4.18Å; L373-Y376 PolarHBondContact N-O 2.94Å; L373-Y376 WeakPolarHBondContact O-CD1 3.39Å; L373-Y376 PolarHBondContact O-N 3.35Å; L373-Y376 VanDerWaalsContact O-O 3.04Å; Y376-F378 HydrophobicContact CD2-CE2 4.15Å; Y376-F378 AromaticContact CE2-CE2 3.92Å; Y376-F378 HydrophobicContact CE2-CE2 3.92Å; Y376-F378 HydrophobicContact CE2-CZ 4.44Å
377	A	92.1	Very high	91	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	159	176.4	0	0	0	0	0	112.9	F344 V345 L348 L357 K371 K372	F344-A377 WeakPolarHBondContact CA-O 3.3Å; V345-A377 HydrophobicContact CB-CB 4.5Å; V345-A377 PolarHBondContact N-O 3.43Å; V345-A377 PolarHBondContact O-N 2.92Å; L348-A377 HydrophobicContact CD1-CB 3.54Å; L357-A377 HydrophobicContact CD1-CB 3.64Å; K371-A377 CarbonylContact O-C 3.1Å; K371-A377 VanDerWaalsContact O-CA 3.26Å; K371-A377 WeakPolarHBondContact O-CA 3.37Å; K372-A377 HydrophobicContact CB-CB 4.31Å; K372-A377 HydrophobicContact CG-CB 4.35Å
378	F	93.6	Very high	91.1	Very high	60 Å²	60	60.8 Å²	60.8	26%	0.263	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	124.8	168.2	-63.9	-76.8	0	0	0	109.6	V342 L343 F344 V370 K371 L373 Y376 A409	V342-F378 HydrophobicContact CG1-CB 4.2Å; V342-F378 HydrophobicContact CG1-CD1 4.41Å; L343-F378 CarbonylContact O-C 3.33Å; L343-F378 VanDerWaalsContact O-CA 3.3Å; L343-F378 WeakPolarHBondContact O-CA 3.12Å; F344-F378 HydrophobicContact CB-CD1 4.23Å; F344-F378 HydrophobicContact CB-CE1 4.06Å; F344-F378 AromaticContact CD2-CD1 3.99Å; F344-F378 HydrophobicContact CD2-CD1 3.99Å; F344-F378 AromaticContact CD2-CE1 3.42Å; F344-F378 HydrophobicContact CD2-CE1 3.42Å; F344-F378 VanDerWaalsContact CD2-CE1 3.42Å; F344-F378 AromaticContact CD2-CZ 3.74Å; F344-F378 HydrophobicContact CD2-CZ 3.74Å; F344-F378 HydrophobicContact CE2-CE1 4.09Å; F344-F378 AromaticContact CE2-CZ 3.93Å; F344-F378 HydrophobicContact CE2-CZ 3.93Å; F344-F378 AromaticContact CG-CE1 3.97Å; F344-F378 HydrophobicContact CG-CE1 3.97Å; V370-F378 CarbonylContact C-O 3.55Å; K371-F378 PolarHBondContact N-O 3.14Å; K371-F378 PolarHBondContact O-N 2.85Å; L373-F378 HydrophobicContact CD1-CD2 3.99Å; L373-F378 HydrophobicContact CD1-CE2 4.16Å; Y376-F378 HydrophobicContact CD2-CE2 4.15Å; Y376-F378 AromaticContact CE2-CE2 3.92Å; Y376-F378 HydrophobicContact CE2-CE2 3.92Å; Y376-F378 HydrophobicContact CE2-CZ 4.44Å; F378-A409 HydrophobicContact CD1-CB 3.97Å; F378-A409 HydrophobicContact CE1-CB 4.15Å
379	V	94.6	Very high	91.2	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	108.6	-179.2	179.1	0	0	0	0	108	V342 L343 V345 F361 L367 V370 F381	V342-V379 CarbonylContact C-O 3.59Å; V342-V379 WeakPolarHBondContact CA-O 3.29Å; L343-V379 HydrophobicContact CB-CB 4.37Å; L343-V379 PolarHBondContact N-O 2.85Å; L343-V379 PolarHBondContact O-N 3.25Å; V345-V379 HydrophobicContact CG2-CG2 4.02Å; F361-V379 HydrophobicContact CB-CG1 3.77Å; F361-V379 HydrophobicContact CD1-CG1 4.15Å; F361-V379 HydrophobicContact CD2-CG1 4.4Å; F361-V379 HydrophobicContact CD2-CG2 3.94Å; F361-V379 HydrophobicContact CE2-CG2 4.17Å; F361-V379 HydrophobicContact CG-CG1 3.85Å; F361-V379 HydrophobicContact CG-CG2 4.18Å; L367-V379 HydrophobicContact CD2-CG1 3.47Å; L367-V379 VanDerWaalsContact CD2-CG1 3.47Å; V370-V379 HydrophobicContact CG2-CG1 4.47Å; V379-F381 HydrophobicContact CG1-CD2 4.12Å; V379-F381 HydrophobicContact CG1-CE2 3.6Å; V379-F381 HydrophobicContact CG1-CZ 4.18Å
380	H	93.1	Very high	91.3	Very high	33 Å²	33	52 Å²	52	15%	0.153	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	122.2	177.8	-68.1	-128.8	0	0	0	110.5	V342 L367 E368 R369	V342-H380 HydrophobicContact CG2-CB 4.33Å; L367-H380 WeakPolarHBondContact CA-O 3.19Å; E368-H380 HydrophobicContact CB-CB 3.87Å; E368-H380 HydrophobicContact CG-CB 4.42Å; E368-H380 PolarHBondContact N-O 3.38Å; E368-H380 WeakPolarHBondContact OE2-CB 3.33Å; E368-H380 IonicContact OE2-CG 2.77Å; E368-H380 IonicContact OE2-ND1 2.69Å; E368-H380 PolarHBondContact OE2-ND1 2.79Å; R369-H380 HydrophobicContact CB-CB 4.37Å; R369-H380 PolarHBondContact NH2-CE1 2.79Å; R369-H380 PolarHBondContact NH2-NE2 3.34Å; R369-H380 VanDerWaalsContact O-CB 3.32Å; R369-H380 WeakPolarHBondContact O-CB 3.42Å; R369-H380 PolarHBondContact O-N 2.78Å
381	F	94.1	Very high	91.2	Very high	2 Å²	2	53 Å²	53	1%	0.009	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	148.4	169.4	-74.4	-92.4	0	0	0	111.9	K341 L343 F361 F364 L367 V379 D383 A386 A387 A390	K341-F381 VanDerWaalsContact CB-O 3.28Å; K341-F381 WeakPolarHBondContact CB-O 3.45Å; K341-F381 PolarHBondContact O-N 2.76Å; L343-F381 HydrophobicContact CD1-CD2 4.38Å; L343-F381 HydrophobicContact CD1-CE2 3.72Å; L343-F381 HydrophobicContact CG-CD2 4.35Å; L343-F381 HydrophobicContact CG-CE2 4.13Å; F361-F381 HydrophobicContact CB-CZ 4.02Å; F361-F381 HydrophobicContact CD1-CE2 4.22Å; F361-F381 HydrophobicContact CD1-CZ 4.02Å; F361-F381 WeakPolarHBondContact O-CE1 3.41Å; F361-F381 WeakPolarHBondContact O-CZ 3.42Å; F364-F381 HydrophobicContact CB-CE1 4.2Å; F364-F381 HydrophobicContact CB-CZ 4.42Å; L367-F381 HydrophobicContact CD2-CD1 3.68Å; L367-F381 HydrophobicContact CD2-CD2 4.09Å; L367-F381 HydrophobicContact CD2-CE1 3.53Å; L367-F381 HydrophobicContact CD2-CE2 3.95Å; L367-F381 HydrophobicContact CD2-CG 3.97Å; L367-F381 HydrophobicContact CD2-CZ 3.68Å; L367-F381 HydrophobicContact CG-CE1 4.49Å; V379-F381 HydrophobicContact CG1-CD2 4.12Å; V379-F381 HydrophobicContact CG1-CE2 3.6Å; V379-F381 HydrophobicContact CG1-CZ 4.18Å; F381-D383 VanDerWaalsContact CB-O 3.27Å; F381-D383 WeakPolarHBondContact CB-O 3.27Å; F381-D383 PolarHBondContact O-N 3.49Å; F381-A386 HydrophobicContact CB-CB 4.46Å; F381-A386 HydrophobicContact CD1-CB 3.61Å; F381-A386 HydrophobicContact CE1-CB 4.14Å; F381-A386 HydrophobicContact CG-CB 4.25Å; F381-A387 HydrophobicContact CB-CB 4.1Å; F381-A387 HydrophobicContact CD2-CB 3.77Å; F381-A387 HydrophobicContact CG-CB 4.09Å; F381-A390 HydrophobicContact CE1-CB 4.35Å; F381-A390 HydrophobicContact CE2-CB 3.89Å; F381-A390 HydrophobicContact CZ-CB 3.5Å
382	E	91.9	Very high	91.1	Very high	103 Å²	103	53.5 Å²	53.5	48%	0.481	26%	0.264	S	S	.	.	S	Bend	trans	-68.3	-24.1	171.2	-175.4	169.2	-133.8	0	0	112.4	K341 K366	K341-E382 WeakPolarHBondContact CD-O 3.25Å; K341-E382 WeakPolarHBondContact CE-O 3.08Å; K341-E382 PolarHBondContact NZ-O 3.36Å; K366-E382 HydrophobicContact CB-CB 4.44Å; K366-E382 VanDerWaalsContact CD-OE2 3.23Å; K366-E382 WeakPolarHBondContact CD-OE2 3.07Å; K366-E382 VanDerWaalsContact CG-OE2 3.3Å; K366-E382 WeakPolarHBondContact CG-OE2 3.44Å; K366-E382 IonicContact NZ-OE1 3.22Å; K366-E382 PolarHBondContact NZ-OE1 2.57Å; K366-E382 IonicContact NZ-OE2 2.7Å; K366-E382 PolarHBondContact NZ-OE2 2.93Å; K366-E382 WeakPolarHBondContact O-CB 3.46Å; K366-E382 PolarHBondContact O-N 2.87Å
383	D	92	Very high	91.2	Very high	90 Å²	90	56.3 Å²	56.3	48%	0.481	28%	0.278	S	S	.	.			trans	-128.3	151.5	176.6	-179.8	48.2	0	0	0	113.7	F381 G385 A386 A387	F381-D383 VanDerWaalsContact CB-O 3.27Å; F381-D383 WeakPolarHBondContact CB-O 3.27Å; F381-D383 PolarHBondContact O-N 3.49Å; D383-G385 VanDerWaalsContact OD2-CA 3.24Å; D383-G385 WeakPolarHBondContact OD2-CA 3.39Å; D383-G385 PolarHBondContact OD2-N 2.58Å; D383-A386 HydrophobicContact CB-CB 4.41Å; D383-A386 PolarHBondContact OD2-N 2.68Å; D383-A387 PolarHBondContact O-N 3.1Å
384	R	89.7	Confident	91.4	Very high	107 Å²	107	54.2 Å²	54.2	40%	0.404	27%	0.267	S	S	.	.	H	α-helix	trans	-75.5	-34.4	177.1	-177.8	172.3	174	-111.6	-6.3	112.8	A338 K341 A387 V388	A338-R384 WeakPolarHBondContact O-CD 3.37Å; A338-R384 PolarHBondContact O-NE 3.27Å; A338-R384 VanDerWaalsContact O-NE 3.13Å; K341-R384 HydrophobicContact CG-CB 4.16Å; R384-A387 PolarHBondContact O-N 3.07Å; R384-V388 HydrophobicContact CG-CG2 4.27Å; R384-V388 WeakPolarHBondContact O-CG2 3.48Å; R384-V388 PolarHBondContact O-N 3.13Å
385	G	91.7	Very high	91.7	Very high	45 Å²	45	50 Å²	50	46%	0.464	25%	0.253	S	S	.	.	H	α-helix	trans	-62.4	-45	176.2	0	0	0	0	0	111.3	D383 A387 V388 K389	D383-G385 VanDerWaalsContact OD2-CA 3.24Å; D383-G385 WeakPolarHBondContact OD2-CA 3.39Å; D383-G385 PolarHBondContact OD2-N 2.58Å; G385-A387 PolarHBondContact O-N 3.29Å; G385-V388 PolarHBondContact O-N 2.91Å; G385-K389 WeakPolarHBondContact O-CB 3.09Å; G385-K389 PolarHBondContact O-N 3.07Å
386	A	93	Very high	91.8	Very high	12 Å²	12	49.6 Å²	49.6	10%	0.099	26%	0.26	C	S	.	.	H	α-helix	trans	-57.2	-47.1	171.4	0	0	0	0	0	112.4	F364 F381 D383 K389 A390	F364-A386 WeakPolarHBondContact O-CB 3.04Å; F381-A386 HydrophobicContact CB-CB 4.46Å; F381-A386 HydrophobicContact CD1-CB 3.61Å; F381-A386 HydrophobicContact CE1-CB 4.14Å; F381-A386 HydrophobicContact CG-CB 4.25Å; D383-A386 HydrophobicContact CB-CB 4.41Å; D383-A386 PolarHBondContact OD2-N 2.68Å; A386-K389 PolarHBondContact O-N 3.46Å; A386-A390 VanDerWaalsContact O-CB 3.26Å; A386-A390 WeakPolarHBondContact O-CB 3.26Å; A386-A390 PolarHBondContact O-N 3.45Å
387	A	91.7	Very high	91.7	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.3	-46	178	0	0	0	0	0	113.1	L343 F381 D383 R384 G385 A390 M391	L343-A387 WeakPolarHBondContact CD1-O 3.07Å; L343-A387 HydrophobicContact CD2-CB 4.07Å; L343-A387 WeakPolarHBondContact CD2-O 3.25Å; L343-A387 HydrophobicContact CG-CB 4.34Å; F381-A387 HydrophobicContact CB-CB 4.1Å; F381-A387 HydrophobicContact CD2-CB 3.77Å; F381-A387 HydrophobicContact CG-CB 4.09Å; D383-A387 PolarHBondContact O-N 3.1Å; R384-A387 PolarHBondContact O-N 3.07Å; G385-A387 PolarHBondContact O-N 3.29Å; A387-A390 PolarHBondContact O-N 2.87Å; A387-M391 WeakPolarHBondContact O-CB 3.43Å; A387-M391 PolarHBondContact O-N 2.86Å
388	V	92.4	Very high	91.4	Very high	40 Å²	40	57.2 Å²	57.2	24%	0.242	30%	0.297	C	S	.	.	H	α-helix	trans	-66.7	-44.4	179	174.7	0	0	0	0	110.8	R384 G385 A390 M391 D392	R384-V388 HydrophobicContact CG-CG2 4.27Å; R384-V388 WeakPolarHBondContact O-CG2 3.48Å; R384-V388 PolarHBondContact O-N 3.13Å; G385-V388 PolarHBondContact O-N 2.91Å; V388-A390 VanDerWaalsContact C-N 3.35Å; V388-A390 PolarHBondContact O-N 3.43Å; V388-M391 WeakPolarHBondContact O-CB 3.29Å; V388-M391 PolarHBondContact O-N 3.02Å; V388-D392 PolarHBondContact O-N 3.31Å
389	K	92.5	Very high	90.9	Very high	94 Å²	94	55.2 Å²	55.2	41%	0.409	29%	0.289	S	S	.	.	H	α-helix	trans	-57.5	-47.2	174.8	-171.5	-166.5	172.9	-161.1	0	111.6	F364 G385 A386 M391 D392 E393	F364-K389 HydrophobicContact CD1-CD 4.18Å; F364-K389 HydrophobicContact CD1-CG 4.28Å; G385-K389 WeakPolarHBondContact O-CB 3.09Å; G385-K389 PolarHBondContact O-N 3.07Å; A386-K389 PolarHBondContact O-N 3.46Å; K389-M391 VanDerWaalsContact C-N 3.33Å; K389-M391 PolarHBondContact O-N 3.49Å; K389-D392 PolarHBondContact O-N 3.13Å; K389-E393 WeakPolarHBondContact CE-OE1 3.2Å; K389-E393 VanDerWaalsContact CE-OE2 3.25Å; K389-E393 WeakPolarHBondContact CE-OE2 3.33Å; K389-E393 HydrophobicContact CG-CG 4.47Å; K389-E393 WeakPolarHBondContact CG-OE1 3.24Å; K389-E393 IonicContact NZ-OE1 3.49Å; K389-E393 IonicContact NZ-OE2 3.89Å; K389-E393 WeakPolarHBondContact O-CB 3.39Å; K389-E393 PolarHBondContact O-N 3.08Å
390	A	93	Very high	90.2	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-63.4	-37.3	178	0	0	0	0	0	112.6	L343 F361 F364 F381 A386 A387 V388 M394	L343-A390 HydrophobicContact CD1-CB 3.89Å; F361-A390 HydrophobicContact CD1-CB 4.08Å; F361-A390 HydrophobicContact CE1-CB 4.41Å; F364-A390 HydrophobicContact CB-CB 3.66Å; F364-A390 HydrophobicContact CD1-CB 4.34Å; F364-A390 HydrophobicContact CD2-CB 3.67Å; F364-A390 HydrophobicContact CG-CB 3.59Å; F381-A390 HydrophobicContact CE1-CB 4.35Å; F381-A390 HydrophobicContact CE2-CB 3.89Å; F381-A390 HydrophobicContact CZ-CB 3.5Å; A386-A390 VanDerWaalsContact O-CB 3.26Å; A386-A390 WeakPolarHBondContact O-CB 3.26Å; A386-A390 PolarHBondContact O-N 3.45Å; A387-A390 PolarHBondContact O-N 2.87Å; V388-A390 VanDerWaalsContact C-N 3.35Å; V388-A390 PolarHBondContact O-N 3.43Å; A390-M394 WeakPolarHBondContact O-CB 3.33Å; A390-M394 WeakPolarHBondContact O-CG 3.34Å; A390-M394 PolarHBondContact O-N 3.38Å
391	M	91.5	Very high	89.6	Confident	36 Å²	36	62.2 Å²	62.2	18%	0.177	34%	0.337	C	S	.	.	H	α-helix	trans	-62.5	-53.3	173.5	-177	-175.2	75.9	0	0	110.7	L343 A387 V388 K389 E393 N395 I406 L408	L343-M391 HydrophobicContact CD1-CB 4.25Å; L343-M391 HydrophobicContact CD2-CB 4.04Å; A387-M391 WeakPolarHBondContact O-CB 3.43Å; A387-M391 PolarHBondContact O-N 2.86Å; V388-M391 WeakPolarHBondContact O-CB 3.29Å; V388-M391 PolarHBondContact O-N 3.02Å; K389-M391 VanDerWaalsContact C-N 3.33Å; K389-M391 PolarHBondContact O-N 3.49Å; M391-E393 VanDerWaalsContact C-N 3.35Å; M391-E393 PolarHBondContact O-N 3.36Å; M391-N395 WeakPolarHBondContact O-CB 3.43Å; M391-N395 PolarHBondContact O-N 3.47Å; M391-I406 HydrophobicContact CB-CG2 4.18Å; M391-I406 HydrophobicContact CG-CB 4.27Å; M391-I406 HydrophobicContact CG-CG2 3.97Å; M391-L408 HydrophobicContact SD-CG 4.08Å
392	D	91.8	Very high	89.1	Confident	113 Å²	113	64.4 Å²	64.4	60%	0.604	35%	0.347	S	S	*	.	H	α-helix	trans	-67.9	-31.8	-175.5	-63.4	-23.4	0	0	0	112.7	V388 K389	V388-D392 PolarHBondContact O-N 3.31Å; K389-D392 PolarHBondContact O-N 3.13Å
393	E	91.4	Very high	88.7	Confident	92 Å²	92	65.3 Å²	65.3	43%	0.43	35%	0.351	S	S	.	.	H	α-helix	trans	-93.9	-14.3	-179.4	-70.6	-179.6	-152.3	0	0	114.9	F364 K389 M391 K397	F364-E393 HydrophobicContact CE1-CB 3.77Å; F364-E393 WeakPolarHBondContact CE1-OE2 3Å; F364-E393 HydrophobicContact CZ-CB 4.36Å; K389-E393 WeakPolarHBondContact CE-OE1 3.2Å; K389-E393 VanDerWaalsContact CE-OE2 3.25Å; K389-E393 WeakPolarHBondContact CE-OE2 3.33Å; K389-E393 HydrophobicContact CG-CG 4.47Å; K389-E393 WeakPolarHBondContact CG-OE1 3.24Å; K389-E393 IonicContact NZ-OE1 3.49Å; K389-E393 IonicContact NZ-OE2 3.89Å; K389-E393 WeakPolarHBondContact O-CB 3.39Å; K389-E393 PolarHBondContact O-N 3.08Å; M391-E393 VanDerWaalsContact C-N 3.35Å; M391-E393 PolarHBondContact O-N 3.36Å; E393-K397 WeakPolarHBondContact O-CE 3.34Å; E393-K397 PolarHBondContact O-NZ 3.05Å
394	M	89.8	Confident	88.6	Confident	14 Å²	14	61.1 Å²	61.1	7%	0.069	33%	0.329	C	S	.	.	H	α-helix	trans	-113.4	-14.9	178.4	-62.9	-73.9	-70.2	0	0	114.8	F361 F364 A390 G396 K397 I399 I404 I406	F361-M394 HydrophobicContact CE1-CB 4.25Å; F361-M394 HydrophobicContact CE1-CG 4.35Å; F361-M394 HydrophobicContact CZ-CB 4.46Å; F364-M394 HydrophobicContact CD2-CG 4.25Å; F364-M394 HydrophobicContact CE1-CG 4.41Å; F364-M394 HydrophobicContact CE2-CG 3.29Å; F364-M394 HydrophobicContact CE2-SD 3.62Å; F364-M394 HydrophobicContact CZ-CG 3.41Å; F364-M394 VanDerWaalsContact CZ-CG 3.41Å; F364-M394 HydrophobicContact CZ-SD 3.55Å; F364-M394 VanDerWaalsContact CZ-SD 3.55Å; A390-M394 WeakPolarHBondContact O-CB 3.33Å; A390-M394 WeakPolarHBondContact O-CG 3.34Å; A390-M394 PolarHBondContact O-N 3.38Å; M394-G396 PolarHBondContact O-N 2.97Å; M394-K397 HydrophobicContact CE-CD 4.41Å; M394-K397 PolarHBondContact O-N 2.95Å; M394-K397 VanDerWaalsContact O-N 3.15Å; M394-K397 HydrophobicContact SD-CD 3.59Å; M394-K397 VanDerWaalsContact SD-CD 3.59Å; M394-K397 PolarHBondContact SD-NZ 3.02Å; M394-K397 VanDerWaalsContact SD-NZ 3.41Å; M394-I399 HydrophobicContact CE-CD1 4.01Å; M394-I404 HydrophobicContact CB-CD1 4.39Å; M394-I404 WeakPolarHBondContact O-CG1 3.42Å; M394-I406 VanDerWaalsContact C-CD1 3.46Å; M394-I406 HydrophobicContact CB-CD1 3.41Å; M394-I406 VanDerWaalsContact CB-CD1 3.41Å
395	N	89.8	Confident	88.5	Confident	86 Å²	86	60.1 Å²	60.1	46%	0.46	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	125.9	175.9	-175.3	46.2	0	0	0	110.7	M391 E405 I406	M391-N395 WeakPolarHBondContact O-CB 3.43Å; M391-N395 PolarHBondContact O-N 3.47Å; N395-E405 WeakPolarHBondContact OD1-CA 3.46Å; N395-I406 HydrophobicContact CB-CB 4.16Å; N395-I406 HydrophobicContact CB-CG1 4.33Å; N395-I406 PolarHBondContact OD1-N 2.8Å
396	G	87.7	Confident	88.5	Confident	42 Å²	42	58.2 Å²	58.2	43%	0.433	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.5	4.2	-175.6	0	0	0	0	0	115.7	M394 I404	M394-G396 PolarHBondContact O-N 2.97Å; G396-I404 PolarHBondContact N-O 3Å
397	K	88.8	Confident	88.3	Confident	95 Å²	95	60.4 Å²	60.4	41%	0.413	32%	0.32	S	S	.	.			trans	-80.9	142.6	172	-78.7	-176.6	179.5	152.4	0	111.8	E393 M394 E403 I404	E393-K397 WeakPolarHBondContact O-CE 3.34Å; E393-K397 PolarHBondContact O-NZ 3.05Å; M394-K397 HydrophobicContact CE-CD 4.41Å; M394-K397 PolarHBondContact O-N 2.95Å; M394-K397 VanDerWaalsContact O-N 3.15Å; M394-K397 HydrophobicContact SD-CD 3.59Å; M394-K397 VanDerWaalsContact SD-CD 3.59Å; M394-K397 PolarHBondContact SD-NZ 3.02Å; M394-K397 VanDerWaalsContact SD-NZ 3.41Å; K397-E403 WeakPolarHBondContact O-CA 3.47Å; K397-I404 PolarHBondContact O-N 2.83Å
398	E	85.5	Confident	88.2	Confident	137 Å²	137	62.2 Å²	62.2	64%	0.64	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.5	126.5	169.6	-65.6	-175.1	154.9	0	0	111.4	E402 E403	E398-E402 CarbonylContact C-O 3.58Å; E398-E402 WeakPolarHBondContact CA-O 3.16Å; E398-E403 HydrophobicContact CG-CG 3.92Å
399	I	83.3	Confident	88	Confident	19 Å²	19	60.4 Å²	60.4	10%	0.097	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	127.6	163.7	-59.2	-170.2	0	0	0	107.8	V352 I356 M394 G401 E402 I404	V352-I399 HydrophobicContact CG2-CG2 3.75Å; I356-I399 HydrophobicContact CG2-CG2 4.08Å; M394-I399 HydrophobicContact CE-CD1 4.01Å; I399-G401 PolarHBondContact O-N 2.65Å; I399-G401 VanDerWaalsContact O-N 3.13Å; I399-E402 PolarHBondContact N-O 3.05Å; I399-E402 PolarHBondContact O-N 3.24Å; I399-E402 VanDerWaalsContact O-N 3.08Å; I399-I404 HydrophobicContact CB-CG2 4.23Å; I399-I404 HydrophobicContact CD1-CD1 3.73Å; I399-I404 HydrophobicContact CD1-CG2 4.4Å; I399-I404 HydrophobicContact CG1-CD1 4.23Å; I399-I404 HydrophobicContact CG1-CG2 4.19Å
400	E	79.4	Confident	87.6	Confident	123 Å²	123	60.7 Å²	60.7	58%	0.575	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	31.8	-175.1	-63	-62	126.5	0	0	113.7	A349 V352	A349-E400 HydrophobicContact CB-CB 4.24Å; V352-E400 HydrophobicContact CG2-CB 3.89Å; V352-E400 HydrophobicContact CG2-CG 3.61Å
401	G	81.6	Confident	86.9	Confident	57 Å²	57	62.4 Å²	62.4	59%	0.588	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.7	16	179.8	0	0	0	0	0	115.6	I399	I399-G401 PolarHBondContact O-N 2.65Å; I399-G401 VanDerWaalsContact O-N 3.13Å
402	E	81.8	Confident	86	Confident	47 Å²	47	66.5 Å²	66.5	22%	0.22	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	125.4	178.9	-55.7	-162.6	129.7	0	0	112.9	K285 L348 A349 E398 I399 I404	K285-E402 WeakPolarHBondContact CD-OE1 3.36Å; K285-E402 VanDerWaalsContact CE-OE1 3.24Å; K285-E402 WeakPolarHBondContact CE-OE1 3.27Å; K285-E402 IonicContact NZ-OE1 2.66Å; K285-E402 PolarHBondContact NZ-OE1 3.31Å; K285-E402 IonicContact NZ-OE2 3.11Å; K285-E402 PolarHBondContact NZ-OE2 3.14Å; L348-E402 VanDerWaalsContact C-OE2 3.27Å; A349-E402 WeakPolarHBondContact CA-OE2 3.29Å; A349-E402 HydrophobicContact CB-CG 4.11Å; A349-E402 VanDerWaalsContact CB-OE2 3.28Å; A349-E402 WeakPolarHBondContact CB-OE2 3.32Å; A349-E402 PolarHBondContact N-OE2 3.5Å; E398-E402 CarbonylContact C-O 3.58Å; E398-E402 WeakPolarHBondContact CA-O 3.16Å; I399-E402 PolarHBondContact N-O 3.05Å; I399-E402 PolarHBondContact O-N 3.24Å; I399-E402 VanDerWaalsContact O-N 3.08Å; E402-I404 PolarHBondContact O-N 3.37Å
403	E	85.2	Confident	84.7	Confident	122 Å²	122	65.1 Å²	65.1	57%	0.57	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.6	118.4	176.3	-65.4	-179	155	0	0	111.7	N347 K397 E398	N347-E403 PolarHBondContact ND2-O 2.83Å; K397-E403 WeakPolarHBondContact O-CA 3.47Å; E398-E403 HydrophobicContact CG-CG 3.92Å
404	I	89.7	Confident	83.4	Confident	2 Å²	2	69.6 Å²	69.6	1%	0.01	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-86.5	132.5	-178.2	69.2	176.5	0	0	0	112.1	V345 R346 L348 F361 M394 G396 K397 I399 E402 I406	V345-I404 HydrophobicContact CG1-CB 3.99Å; V345-I404 HydrophobicContact CG1-CD1 3.99Å; V345-I404 HydrophobicContact CG1-CG1 4.42Å; V345-I404 HydrophobicContact CG1-CG2 4.47Å; R346-I404 WeakPolarHBondContact O-CA 3.2Å; L348-I404 HydrophobicContact CD2-CG2 3.67Å; F361-I404 HydrophobicContact CE2-CD1 4.47Å; F361-I404 HydrophobicContact CZ-CD1 4.07Å; M394-I404 HydrophobicContact CB-CD1 4.39Å; M394-I404 WeakPolarHBondContact O-CG1 3.42Å; G396-I404 PolarHBondContact N-O 3Å; K397-I404 PolarHBondContact O-N 2.83Å; I399-I404 HydrophobicContact CB-CG2 4.23Å; I399-I404 HydrophobicContact CD1-CD1 3.73Å; I399-I404 HydrophobicContact CD1-CG2 4.4Å; I399-I404 HydrophobicContact CG1-CD1 4.23Å; I399-I404 HydrophobicContact CG1-CG2 4.19Å; E402-I404 PolarHBondContact O-N 3.37Å; I404-I406 HydrophobicContact CD1-CD1 3.77Å; I404-I406 HydrophobicContact CD1-CG1 4.1Å; I404-I406 HydrophobicContact CG1-CD1 4.16Å; I404-I406 HydrophobicContact CG1-CG1 4.08Å
405	E	86.4	Confident	82.1	Confident	87 Å²	87	76.3 Å²	76.3	41%	0.407	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	128.5	169.4	177.3	-166.4	-155.4	0	0	108.4	V345 R346 N395	V345-E405 CarbonylContact C-O 3.6Å; V345-E405 WeakPolarHBondContact CA-O 3.34Å; R346-E405 HydrophobicContact CB-CB 4.04Å; R346-E405 WeakPolarHBondContact CD-OE2 3.45Å; R346-E405 PolarHBondContact N-O 3.34Å; R346-E405 IonicContact NH1-OE2 2.79Å; R346-E405 PolarHBondContact NH1-OE2 3.17Å; R346-E405 PolarHBondContact O-N 3.41Å; R346-E405 VanDerWaalsContact O-N 3.1Å; N395-E405 WeakPolarHBondContact OD1-CA 3.46Å
406	I	91.4	Very high	81	Confident	4 Å²	4	80.6 Å²	80.6	2%	0.021	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	127.6	178.9	-46.7	179	0	0	0	110.8	L343 V345 F361 M391 M394 N395 I404	L343-I406 HydrophobicContact CB-CG2 3.94Å; L343-I406 HydrophobicContact CD1-CG2 3.91Å; L343-I406 HydrophobicContact CD2-CG2 4.45Å; L343-I406 HydrophobicContact CG-CG2 4.32Å; V345-I406 HydrophobicContact CG1-CG1 4.31Å; V345-I406 HydrophobicContact CG2-CG1 4.36Å; V345-I406 HydrophobicContact CG2-CG2 4.33Å; F361-I406 HydrophobicContact CE1-CD1 3.83Å; F361-I406 HydrophobicContact CZ-CD1 3.7Å; M391-I406 HydrophobicContact CB-CG2 4.18Å; M391-I406 HydrophobicContact CG-CB 4.27Å; M391-I406 HydrophobicContact CG-CG2 3.97Å; M394-I406 VanDerWaalsContact C-CD1 3.46Å; M394-I406 HydrophobicContact CB-CD1 3.41Å; M394-I406 VanDerWaalsContact CB-CD1 3.41Å; N395-I406 HydrophobicContact CB-CB 4.16Å; N395-I406 HydrophobicContact CB-CG1 4.33Å; N395-I406 PolarHBondContact OD1-N 2.8Å; I404-I406 HydrophobicContact CD1-CD1 3.77Å; I404-I406 HydrophobicContact CD1-CG1 4.1Å; I404-I406 HydrophobicContact CG1-CD1 4.16Å; I404-I406 HydrophobicContact CG1-CG1 4.08Å
407	V	89.6	Confident	80	Confident	59 Å²	59	86.7 Å²	86.7	36%	0.358	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	159.2	171	-61.6	0	0	0	0	110.6	F344 A409	F344-V407 HydrophobicContact CB-CG2 4.17Å; F344-V407 HydrophobicContact CD1-CG2 3.78Å; F344-V407 HydrophobicContact CG-CG2 4.45Å; F344-V407 PolarHBondContact N-O 3.35Å; F344-V407 PolarHBondContact O-N 3.47Å; F344-V407 VanDerWaalsContact O-N 3.1Å; V407-A409 PolarHBondContact O-N 2.97Å
408	L	89.9	Confident	79.1	Confident	37 Å²	37	88.6 Å²	88.6	19%	0.194	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	126.9	166.8	-70.2	171.7	0	0	0	109.6	M337 V340 L343 M391 K410	M337-L408 HydrophobicContact CE-CB 3.58Å; M337-L408 HydrophobicContact CE-CD1 4.46Å; V340-L408 HydrophobicContact CG1-CB 4.32Å; V340-L408 HydrophobicContact CG1-CD2 4.21Å; L343-L408 HydrophobicContact CD2-CD2 3.94Å; M391-L408 HydrophobicContact SD-CG 4.08Å; L408-K410 PolarHBondContact O-N 2.85Å
409	A	87.9	Confident	78.4	Confident	3 Å²	3	88.9 Å²	88.9	3%	0.025	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-65.1	136.1	-178.6	0	0	0	0	0	110.9	V340 V342 F344 F378 V407	V340-A409 WeakPolarHBondContact CG1-O 3.47Å; V342-A409 HydrophobicContact CB-CB 3.98Å; V342-A409 HydrophobicContact CG1-CB 3.83Å; V342-A409 VanDerWaalsContact O-CB 3.26Å; V342-A409 WeakPolarHBondContact O-CB 3.48Å; V342-A409 PolarHBondContact O-N 2.9Å; F344-A409 HydrophobicContact CB-CB 3.81Å; F378-A409 HydrophobicContact CD1-CB 3.97Å; F378-A409 HydrophobicContact CE1-CB 4.15Å; V407-A409 PolarHBondContact O-N 2.97Å
410	K	84.2	Confident	77.8	Confident	100 Å²	100	93.2 Å²	93.2	44%	0.435	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-62.2	131.9	169.5	-69.8	-159.3	172.1	-169.5	0	109.4	V329 E330 P332 L408	V329-K410 VanDerWaalsContact CG1-NZ 3.34Å; E330-K410 PolarHBondContact O-NZ 3.42Å; P332-K410 HydrophobicContact CG-CD 4.36Å; P332-K410 HydrophobicContact CG-CG 4.25Å; L408-K410 PolarHBondContact O-N 2.85Å
411	P	78.6	Confident	77.4	Confident	36 Å²	36	89.8 Å²	89.8	23%	0.234	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-53.8	147.8	171.2	-23.6	30.9	0	0	0	111.6	V336 M337 V340 D413	V336-P411 HydrophobicContact CG1-CB 4.29Å; V336-P411 HydrophobicContact CG1-CG 3.62Å; M337-P411 HydrophobicContact SD-CG 4.4Å; V340-P411 HydrophobicContact CG2-CG 3.88Å; P411-D413 PolarHBondContact O-N 2.92Å
412	P	71.9	Confident	77.1	Confident	121 Å²	121	90 Å²	90	79%	0.786	44%	0.438	S	S	*	.			trans	-70.2	115.2	178.4	27.3	-33.7	0	0	0	111.4	K414	P412-K414 PolarHBondContact O-N 3.48Å
413	D	64.5	Low	76.7	Confident	85 Å²	85	96.5 Å²	96.5	46%	0.455	46%	0.461	S	S	.	.			trans	-62.5	96.4	178.6	-71.8	-49.2	0	0	0	112.6	P411 K415 R416 K417	P411-D413 PolarHBondContact O-N 2.92Å; D413-K415 PolarHBondContact O-N 3.02Å; D413-R416 HydrophobicContact CB-CB 3.57Å; D413-R416 WeakPolarHBondContact O-CB 3.38Å; D413-R416 PolarHBondContact O-N 2.7Å; D413-K417 PolarHBondContact O-N 3.2Å
414	K	65.2	Low	75.9	Confident	185 Å²	185	96.7 Å²	96.7	80%	0.804	46%	0.462	S	S	*	.	H	α-helix	trans	-52.2	-45	173.8	-64.9	-172.9	178.4	-175.9	0	111.5	P412 R416 K417 E418	P412-K414 PolarHBondContact O-N 3.48Å; K414-R416 VanDerWaalsContact C-N 3.29Å; K414-R416 PolarHBondContact O-N 2.74Å; K414-K417 PolarHBondContact O-N 2.82Å; K414-E418 PolarHBondContact O-N 3.09Å
415	K	62.8	Low	74.9	Confident	156 Å²	156	99.6 Å²	99.6	68%	0.678	49%	0.486	S	S	*	.	H	α-helix	trans	-62.5	-29	177.8	-68.6	-176.3	177.8	178.4	0	113.7	D413 R419	D413-K415 PolarHBondContact O-N 3.02Å; K415-R419 VanDerWaalsContact O-CB 3.31Å; K415-R419 WeakPolarHBondContact O-CB 3.42Å; K415-R419 PolarHBondContact O-N 2.76Å
416	R	65.9	Low	74	Confident	176 Å²	176	99.5 Å²	99.5	66%	0.664	50%	0.495	S	S	*	.	H	α-helix	trans	-70.5	-44.1	177.4	-178.7	178.7	170.5	177.4	-0.4	111.1	D413 K414 E418 R419 Q420	D413-R416 HydrophobicContact CB-CB 3.57Å; D413-R416 WeakPolarHBondContact O-CB 3.38Å; D413-R416 PolarHBondContact O-N 2.7Å; K414-R416 VanDerWaalsContact C-N 3.29Å; K414-R416 PolarHBondContact O-N 2.74Å; R416-E418 VanDerWaalsContact C-N 3.34Å; R416-R419 PolarHBondContact O-N 3.15Å; R416-Q420 WeakPolarHBondContact O-CB 3.26Å; R416-Q420 PolarHBondContact O-N 3.46Å
417	K	67	Low	72.8	Confident	170 Å²	170	108.8 Å²	108.8	74%	0.739	53%	0.53	S	S	*	.	H	α-helix	trans	-62	-44.2	176.7	-172	178.5	-180	-177.4	0	111	D413 K414 Q420 A421	D413-K417 PolarHBondContact O-N 3.2Å; K414-K417 PolarHBondContact O-N 2.82Å; K417-Q420 PolarHBondContact O-N 3.14Å; K417-A421 WeakPolarHBondContact O-CB 3.47Å; K417-A421 PolarHBondContact O-N 3.13Å
418	E	69.1	Low	71.2	Confident	134 Å²	134	110.3 Å²	110.3	63%	0.626	54%	0.543	S	S	*	.	H	α-helix	trans	-60	-49.1	175.7	-175.6	177.7	-156.3	0	0	112.5	K414 R416 Q420 A421 A422	K414-E418 PolarHBondContact O-N 3.09Å; R416-E418 VanDerWaalsContact C-N 3.34Å; E418-Q420 VanDerWaalsContact C-N 3.25Å; E418-Q420 PolarHBondContact O-N 3.36Å; E418-A421 PolarHBondContact O-N 3.33Å; E418-A422 WeakPolarHBondContact O-CB 3.21Å; E418-A422 PolarHBondContact O-N 2.67Å
419	R	70.1	Confident	69.6	Low	143 Å²	143	113.7 Å²	113.7	54%	0.54	57%	0.566	S	S	.	*	H	α-helix	trans	-62.9	-29.3	176.9	-168.4	-176	-66.3	159.4	2.3	113	K415 R416 R423	K415-R419 VanDerWaalsContact O-CB 3.31Å; K415-R419 WeakPolarHBondContact O-CB 3.42Å; K415-R419 PolarHBondContact O-N 2.76Å; R416-R419 PolarHBondContact O-N 3.15Å; R419-R423 WeakPolarHBondContact O-CG 2.84Å
420	Q	71.3	Confident	68	Low	111 Å²	111	117.4 Å²	117.4	52%	0.519	60%	0.596	S	S	.	*	H	α-helix	trans	-75.2	-45.3	174	-174.2	169.4	-4.5	0	0	111.6	R416 K417 E418 A422 R423 Q424	R416-Q420 WeakPolarHBondContact O-CB 3.26Å; R416-Q420 PolarHBondContact O-N 3.46Å; K417-Q420 PolarHBondContact O-N 3.14Å; E418-Q420 VanDerWaalsContact C-N 3.25Å; E418-Q420 PolarHBondContact O-N 3.36Å; Q420-A422 PolarHBondContact O-N 2.59Å; Q420-R423 PolarHBondContact O-N 2.95Å; Q420-Q424 PolarHBondContact O-N 3.09Å
421	A	72.3	Confident	66.5	Low	51 Å²	51	120.8 Å²	120.8	42%	0.421	61%	0.607	S	S	.	*	H	α-helix	trans	-61.4	-43.7	177.1	0	0	0	0	0	112.2	K417 E418 R423 Q424 A425	K417-A421 WeakPolarHBondContact O-CB 3.47Å; K417-A421 PolarHBondContact O-N 3.13Å; E418-A421 PolarHBondContact O-N 3.33Å; A421-R423 VanDerWaalsContact C-N 3.29Å; A421-R423 PolarHBondContact O-N 2.98Å; A421-Q424 PolarHBondContact O-N 3.43Å; A421-A425 PolarHBondContact O-N 3.19Å
422	A	74.7	Confident	65.1	Low	61 Å²	61	126.9 Å²	126.9	50%	0.504	63%	0.633	S	S	.	*	H	α-helix	trans	-58	-39.6	177.1	0	0	0	0	0	112.7	E418 Q420 Q424 S426	E418-A422 WeakPolarHBondContact O-CB 3.21Å; E418-A422 PolarHBondContact O-N 2.67Å; Q420-A422 PolarHBondContact O-N 2.59Å; A422-Q424 VanDerWaalsContact C-N 3.34Å; A422-S426 PolarHBondContact O-N 2.85Å; A422-S426 VanDerWaalsContact O-N 3.09Å; A422-S426 PolarHBondContact O-OG 3.12Å
423	R	72.4	Confident	64.2	Low	183 Å²	183	128.3 Å²	128.3	69%	0.691	63%	0.634	S	S	*	*	H	α-helix	trans	-70.4	-26.2	175.8	-73.4	175	172.3	-174.5	-2.8	113.7	R419 Q420 A421 S426	R419-R423 WeakPolarHBondContact O-CG 2.84Å; Q420-R423 PolarHBondContact O-N 2.95Å; A421-R423 VanDerWaalsContact C-N 3.29Å; A421-R423 PolarHBondContact O-N 2.98Å; R423-S426 PolarHBondContact O-OG 3.1Å
424	Q	68.7	Low	63.6	Low	126 Å²	126	134 Å²	134	59%	0.589	65%	0.65	S	S	*	*	H	α-helix	trans	-79.2	-43.9	174.6	-71.1	173	-56.4	0	0	110.7	Q420 A421 A422 S426 R427 S428	Q420-Q424 PolarHBondContact O-N 3.09Å; A421-Q424 PolarHBondContact O-N 3.43Å; A422-Q424 VanDerWaalsContact C-N 3.34Å; Q424-S426 PolarHBondContact O-N 3.37Å; Q424-R427 WeakPolarHBondContact O-CB 2.96Å; Q424-R427 PolarHBondContact O-N 2.86Å; Q424-S428 PolarHBondContact O-N 3.26Å
425	A	69.1	Low	62.5	Low	63 Å²	63	134.5 Å²	134.5	52%	0.521	65%	0.648	S	S	.	*	H	α-helix	trans	-56.1	-48.8	174.5	0	0	0	0	0	111.5	A421 R427 S428 T429	A421-A425 PolarHBondContact O-N 3.19Å; A425-R427 PolarHBondContact O-N 3.31Å; A425-R427 VanDerWaalsContact O-N 3.08Å; A425-S428 PolarHBondContact O-N 3.18Å; A425-S428 VanDerWaalsContact O-N 3.14Å; A425-T429 PolarHBondContact O-OG1 2.98Å
426	S	67.6	Low	61.6	Low	85 Å²	85	136.9 Å²	136.9	59%	0.594	66%	0.655	S	S	*	*	H	α-helix	trans	-65.1	-10.7	177.4	65.2	0	0	0	0	115	A422 R423 Q424	A422-S426 PolarHBondContact O-N 2.85Å; A422-S426 VanDerWaalsContact O-N 3.09Å; A422-S426 PolarHBondContact O-OG 3.12Å; R423-S426 PolarHBondContact O-OG 3.1Å; Q424-S426 PolarHBondContact O-N 3.37Å
427	R	65.7	Low	60.6	Low	200 Å²	200	137.2 Å²	137.2	76%	0.755	66%	0.664	S	S	*	*	H	α-helix	trans	-90.8	-28.7	175.4	-174.9	177.5	175.1	-168	-3.9	112.2	Q424 A425	Q424-R427 WeakPolarHBondContact O-CB 2.96Å; Q424-R427 PolarHBondContact O-N 2.86Å; A425-R427 PolarHBondContact O-N 3.31Å; A425-R427 VanDerWaalsContact O-N 3.08Å
428	S	56.7	Low	59.5	Low	91 Å²	91	134.9 Å²	134.9	64%	0.636	67%	0.665	S	S	*	*	H	α-helix	trans	-75.9	-38.7	-174.7	-156.8	0	0	0	0	112.8	Q424 A425 A430 Y431	Q424-S428 PolarHBondContact O-N 3.26Å; A425-S428 PolarHBondContact O-N 3.18Å; A425-S428 VanDerWaalsContact O-N 3.14Å; S428-A430 PolarHBondContact O-N 3.06Å; S428-Y431 PolarHBondContact O-N 3.06Å
429	T	55.5	Low	58.1	Low	108 Å²	108	133.9 Å²	133.9	66%	0.663	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	-22.7	-174.7	-28.1	0	0	0	0	113.5	A425 Y431	A425-T429 PolarHBondContact O-OG1 2.98Å; T429-Y431 VanDerWaalsContact C-N 3.28Å; T429-Y431 PolarHBondContact O-N 3.28Å
430	A	54	Low	56.7	Low	81 Å²	81	132.7 Å²	132.7	67%	0.669	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	2.3	-175.1	0	0	0	0	0	114.8	S428	S428-A430 PolarHBondContact O-N 3.06Å
431	Y	53.1	Low	55.3	Low	170 Å²	170	139 Å²	139	67%	0.667	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.4	-16.2	-172	-143.3	-93.2	0	0	0	115	S428 T429	S428-Y431 PolarHBondContact O-N 3.06Å; T429-Y431 VanDerWaalsContact C-N 3.28Å; T429-Y431 PolarHBondContact O-N 3.28Å
432	E	50.2	Low	54.1	Low	165 Å²	165	144.6 Å²	144.6	77%	0.771	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-46.1	-179.2	-75.6	-74.5	130.3	0	0	113	Y434	E432-Y434 PolarHBondContact O-N 3.41Å
433	D	53.3	Low	52.2	Low	150 Å²	150	146.6 Å²	146.6	80%	0.802	73%	0.728	S	S	*	*	G	3₁₀ helix	trans	-63	-17.3	-167.7	-92.4	-27.8	0	0	0	115.3	Y435	D433-Y435 PolarHBondContact O-N 2.96Å
434	Y	51.8	Low	51.2	Low	204 Å²	204	144 Å²	144	80%	0.8	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-88.4	2.6	-166.8	-120.8	-87.5	0	0	0	116.1	E432	E432-Y434 PolarHBondContact O-N 3.41Å
435	Y	40.7	Very low	49.6	Very low	196 Å²	196	143.3 Å²	143.3	77%	0.769	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-108.5	5.8	-171.3	-92.4	-73.3	0	0	0	117	D433	D433-Y435 PolarHBondContact O-N 2.96Å
436	Y	44.2	Very low	47.9	Very low	206 Å²	206	148 Å²	148	81%	0.808	76%	0.756	S	S	*	*	S	Bend	trans	-103.6	12	-170.4	-112.3	-79.8	0	0	0	118.2
437	H	45.6	Very low	46.4	Very low	184 Å²	184	155.5 Å²	155.5	85%	0.852	77%	0.771	S	S	*	*			trans	-126.1	101.2	177.2	-68.6	-22.8	0	0	0	112.7
438	P	42.7	Very low	44.9	Very low	120 Å²	120	149.8 Å²	149.8	78%	0.779	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-76	136.6	-177.1	29.7	-34.1	0	0	0	112.4
439	P	40.6	Very low	43.8	Very low	114 Å²	114	157.6 Å²	157.6	74%	0.74	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-73	150.9	-174.3	28.5	-35.3	0	0	0	113.6
440	P	41.4	Very low	42.8	Very low	117 Å²	117	155.7 Å²	155.7	76%	0.76	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-70	144.7	-174	27.9	-35.1	0	0	0	113.6	M442	P440-M442 PolarHBondContact O-N 3.05Å
441	R	41.7	Very low	41.8	Very low	243 Å²	243	164.4 Å²	164.4	92%	0.917	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-71.1	116.5	177.9	-61	-75.9	-148.5	-106.5	-1.4	110.8
442	M	45.9	Very low	40.9	Very low	169 Å²	169	159.9 Å²	159.9	83%	0.833	81%	0.813	S	S	*	*			trans	-108.9	131.2	166.3	-76.7	-69.4	-178.4	0	0	110.6	P440	P440-M442 PolarHBondContact O-N 3.05Å
443	P	36.5	Very low	40	Very low	104 Å²	104	156.1 Å²	156.1	68%	0.675	82%	0.818	S	S	*	*			trans	-78.5	146.4	179.7	31.9	-34.5	0	0	0	112	P445	P443-P445 WeakPolarHBondContact O-CD 3.39Å
444	P	50.7	Low	39.1	Very low	128 Å²	128	152.1 Å²	152.1	83%	0.831	81%	0.812	S	S	*	*			trans	-82.8	115.8	-168.7	30.9	-34.9	0	0	0	114.1
445	P	34.2	Very low	38.2	Very low	112 Å²	112	154.4 Å²	154.4	73%	0.727	82%	0.819	S	S	*	*			trans	-95.3	125.4	179.9	-1.5	23.5	0	0	0	113	P443	P443-P445 WeakPolarHBondContact O-CD 3.39Å
446	I	33.5	Very low	37.9	Very low	160 Å²	160	148.5 Å²	148.5	82%	0.821	82%	0.818	S	S	*	*			trans	51.9	107.6	139.3	-51.1	177	0	0	0	117.7	G448	I446-G448 PolarHBondContact O-N 2.68Å; I446-G448 VanDerWaalsContact O-N 3.13Å
447	R	35.6	Very low	37.1	Very low	243 Å²	243	142.2 Å²	142.2	92%	0.917	82%	0.815	S	S	*	*			trans	-59.4	109.9	169.6	-70.1	173.6	172.1	147.7	-3.4	112.4	R449	R447-R449 PolarHBondContact O-N 3.05Å; R447-R449 VanDerWaalsContact O-N 3.07Å
448	G	35.7	Very low	36.7	Very low	81 Å²	81	144.1 Å²	144.1	84%	0.835	82%	0.817	S	S	*	*			trans	-62.5	102.8	167.5	0	0	0	0	0	112.1	I446 G450	I446-G448 PolarHBondContact O-N 2.68Å; I446-G448 VanDerWaalsContact O-N 3.13Å; G448-G450 PolarHBondContact O-N 2.97Å
449	R	33.5	Very low	35.9	Very low	255 Å²	255	141.8 Å²	141.8	96%	0.962	81%	0.814	S	S	*	*			trans	-90.5	74	-166.2	-165.3	-175.2	-167	-176.2	5.1	112.5	R447	R447-R449 PolarHBondContact O-N 3.05Å; R447-R449 VanDerWaalsContact O-N 3.07Å
450	G	33.1	Very low	35.7	Very low	67 Å²	67	146.3 Å²	146.3	69%	0.691	82%	0.818	S	S	*	*			trans	-118.7	102.8	-175.2	0	0	0	0	0	115.1	G448 G452	G448-G450 PolarHBondContact O-N 2.97Å; G450-G452 PolarHBondContact O-N 3.22Å
451	R	33.3	Very low	35.3	Very low	265 Å²	265	145 Å²	145	100%	1	81%	0.81	S	S	*	*			trans	-31.4	118.1	177.9	-87.3	173.2	160.9	166.3	-6.2	116.3
452	G	34.5	Very low	35.2	Very low	75 Å²	75	139.3 Å²	139.3	77%	0.773	80%	0.804	S	S	*	*			trans	129.6	121.1	172.2	0	0	0	0	0	110.6	G450	G450-G452 PolarHBondContact O-N 3.22Å
453	G	32.5	Very low	34.8	Very low	85 Å²	85	138.8 Å²	138.8	88%	0.876	80%	0.804	S	S	*	*			cis	110.3	96.9	5.6	0	0	0	0	0	111
454	G	33	Very low	34.6	Very low	66 Å²	66	142.6 Å²	142.6	68%	0.68	81%	0.807	S	S	*	*			cis	174.9	175	-3.9	0	0	0	0	0	112.1
455	R	34.1	Very low	33.8	Very low	253 Å²	253	146 Å²	146	96%	0.955	80%	0.804	S	S	*	*			trans	68.9	129.2	-169.3	-51.3	179.2	179.1	-179.9	-1.4	111.5
456	G	33	Very low	33.7	Very low	72 Å²	72	144.1 Å²	144.1	74%	0.742	81%	0.805	S	S	*	*			cis	87.9	110.5	20.6	0	0	0	0	0	108.9
457	G	27.9	Very low	33.7	Very low	73 Å²	73	147.1 Å²	147.1	75%	0.753	81%	0.808	S	S	*	*			cis	102	99.2	18.3	0	0	0	0	0	109.1
458	Y	37	Very low	33.5	Very low	225 Å²	225	142.9 Å²	142.9	88%	0.882	80%	0.799	S	S	*	*			trans	-142.2	103.6	176.3	-93.4	-80.7	0	0	0	109
459	G	27.2	Very low	33.2	Very low	70 Å²	70	145.5 Å²	145.5	72%	0.722	79%	0.794	S	S	*	*			trans	-121.6	132.1	153.8	0	0	0	0	0	107
460	Y	34.6	Very low	33.3	Very low	209 Å²	209	142.5 Å²	142.5	82%	0.82	78%	0.784	S	S	*	*			trans	-168.9	154.4	-176.9	-115.6	-81.3	0	0	0	107.9
461	P	34.6	Very low	33.1	Very low	91 Å²	91	149 Å²	149	59%	0.591	79%	0.788	S	S	*	*				-114.8	176.2	-68.6	40.5	-31	0	0	0	111.4
462	P	38.9	Very low	32.9	Very low	122 Å²	122	143.5 Å²	143.5	79%	0.792	78%	0.779	S	S	*	*			trans	-92.3	140.5	168.1	35	-31	0	0	0	112.6
463	D	38.2	Very low	32.6	Very low	158 Å²	158	147.3 Å²	147.3	85%	0.845	78%	0.782	S	S	*	*			trans	-105.5	176.6	169.6	-72.6	-48.2	0	0	0	111.8
464	Y	31.8	Very low	32.4	Very low	184 Å²	184	152.2 Å²	152.2	72%	0.722	78%	0.775	S	S	*	*			trans	-143.7	152.4	-142.6	174.9	-123.5	0	0	0	114.3
465	Y	34	Very low	32.4	Very low	199 Å²	199	156.9 Å²	156.9	78%	0.78	77%	0.773	S	S	*	*			trans	80	143.4	-175.4	-62.6	-70.8	0	0	0	118.7
466	G	32.1	Very low	32.1	Very low	73 Å²	73	148.5 Å²	148.5	75%	0.753	77%	0.766	S	S	*	*			trans	170.4	28.9	168.4	0	0	0	0	0	124.2
467	Y	33.5	Very low	32	Very low	223 Å²	223	153 Å²	153	88%	0.875	76%	0.761	S	S	*	*			trans	68.8	175	163.2	-98.1	-85.3	0	0	0	121.3
468	E	30.9	Very low	32.1	Very low	155 Å²	155	156.2 Å²	156.2	72%	0.724	76%	0.761	S	S	*	*			trans	-106.4	153.5	-147.9	-58.1	165.1	125.1	0	0	116.3
469	D	30.8	Very low	31.6	Very low	136 Å²	136	154.2 Å²	154.2	73%	0.727	75%	0.754	S	S	*	*			trans	81	145.6	137.9	-105	-41.9	0	0	0	125.6
470	Y	33.6	Very low	31.6	Very low	192 Å²	192	158 Å²	158	75%	0.753	75%	0.752	S	S	*	*			trans	67.3	84.6	167.2	-92.6	-100.2	0	0	0	122.3
471	Y	29.7	Very low	31.4	Very low	202 Å²	202	154.7 Å²	154.7	79%	0.792	75%	0.749	S	S	*	*			trans	40.2	106.1	131.3	-76.3	-92.4	0	0	0	119.5
472	D	29.5	Very low	31.5	Very low	151 Å²	151	161.1 Å²	161.1	81%	0.807	76%	0.763	S	S	*	*				-160.9	-174.9	82.3	-143.5	-43.9	0	0	0	110
473	D	28.9	Very low	31.3	Very low	154 Å²	154	167 Å²	167	82%	0.824	77%	0.769	S	S	*	*			trans	56.4	83.8	173	-92.6	-45.4	0	0	0	116.9
474	Y	26.6	Very low	31	Very low	189 Å²	189	162.2 Å²	162.2	74%	0.741	76%	0.758	S	S	*	*			trans	-132.8	110	158.7	-155.3	-98.3	0	0	0	112.3
475	Y	33.2	Very low	30.8	Very low	164 Å²	164	157 Å²	157	64%	0.643	76%	0.76	S	S	*	*				174.5	74.4	128.4	-95.5	-61.9	0	0	0	110.9	Y477	Y475-Y477 AromaticContact CD1-CD2 3.48Å; Y475-Y477 HydrophobicContact CD1-CD2 3.48Å; Y475-Y477 VanDerWaalsContact CD1-CD2 3.48Å; Y475-Y477 AromaticContact CD1-CE2 3.29Å; Y475-Y477 HydrophobicContact CD1-CE2 3.29Å; Y475-Y477 AromaticContact CE1-CD2 3.99Å; Y475-Y477 HydrophobicContact CE1-CD2 3.99Å; Y475-Y477 AromaticContact CE1-CE2 3.29Å; Y475-Y477 HydrophobicContact CE1-CE2 3.29Å; Y475-Y477 AromaticContact CE1-CZ 3.92Å; Y475-Y477 HydrophobicContact CG-CD2 4.28Å; Y475-Y477 HydrophobicContact CG-CE2 4.27Å; Y475-Y477 PolarHBondContact O-N 2.91Å
476	G	28.1	Very low	30.9	Very low	77 Å²	77	158.5 Å²	158.5	79%	0.794	77%	0.766	S	S	*	*			trans	-74.3	112.6	149.8	0	0	0	0	0	108.2
477	Y	30.4	Very low	31.1	Very low	165 Å²	165	163.9 Å²	163.9	65%	0.647	77%	0.771	S	S	*	*			trans	-100.2	119.8	173.4	-112.1	-71.5	0	0	0	109.7	Y475	Y475-Y477 AromaticContact CD1-CD2 3.48Å; Y475-Y477 HydrophobicContact CD1-CD2 3.48Å; Y475-Y477 VanDerWaalsContact CD1-CD2 3.48Å; Y475-Y477 AromaticContact CD1-CE2 3.29Å; Y475-Y477 HydrophobicContact CD1-CE2 3.29Å; Y475-Y477 AromaticContact CE1-CD2 3.99Å; Y475-Y477 HydrophobicContact CE1-CD2 3.99Å; Y475-Y477 AromaticContact CE1-CE2 3.29Å; Y475-Y477 HydrophobicContact CE1-CE2 3.29Å; Y475-Y477 AromaticContact CE1-CZ 3.92Å; Y475-Y477 HydrophobicContact CG-CD2 4.28Å; Y475-Y477 HydrophobicContact CG-CE2 4.27Å; Y475-Y477 PolarHBondContact O-N 2.91Å
478	D	29.7	Very low	31.3	Very low	141 Å²	141	160.1 Å²	160.1	75%	0.754	77%	0.767	S	S	*	*			trans	-102.4	170.4	179	-138.5	-37.4	0	0	0	112.4
479	Y	26.9	Very low	31.9	Very low	184 Å²	184	157.9 Å²	157.9	72%	0.722	77%	0.765	S	S	*	*			trans	-24.9	137.3	-169.7	-88	-151.4	0	0	0	122.6
480	H	28.6	Very low	32.1	Very low	150 Å²	150	160.8 Å²	160.8	69%	0.694	77%	0.767	S	S	*	*			trans	91.2	147.3	135.1	-70.3	-21.6	0	0	0	123.2
481	D	30.4	Very low	32.2	Very low	139 Å²	139	162.4 Å²	162.4	74%	0.743	77%	0.774	S	S	*	*			trans	43.3	103.3	160.3	-68.5	-55.6	0	0	0	121.2
482	Y	36.2	Very low	32.3	Very low	226 Å²	226	156.2 Å²	156.2	89%	0.886	77%	0.772	S	S	*	*			trans	-124.7	108.6	144	-137.5	-99.6	0	0	0	110.6
483	R	33.6	Very low	32.5	Very low	244 Å²	244	155.4 Å²	155.4	92%	0.921	76%	0.758	S	S	*	*			trans	-129.2	90	178.8	-176.8	-176.3	176.1	-115	-3.9	110.1
484	G	32.9	Very low	32.7	Very low	59 Å²	59	155.5 Å²	155.5	61%	0.608	76%	0.759	S	S	*	*			trans	160.2	149.3	176.6	0	0	0	0	0	109.6
485	G	28.1	Very low	33	Very low	75 Å²	75	151.8 Å²	151.8	77%	0.773	75%	0.752	S	S	*	*			cis	155.4	84.1	-1.1	0	0	0	0	0	110.4
486	Y	35.5	Very low	32.8	Very low	229 Å²	229	146.7 Å²	146.7	90%	0.898	75%	0.749	S	S	*	*			trans	-135.8	133.9	172.1	-113.7	-97.4	0	0	0	108.6
487	E	35.6	Very low	32.8	Very low	186 Å²	186	150.3 Å²	150.3	87%	0.869	74%	0.74	S	S	*	*			trans	-135.8	113.8	-169.3	-175.5	169.1	-140.2	0	0	107.2
488	D	37.4	Very low	32.8	Very low	145 Å²	145	146 Å²	146	78%	0.775	74%	0.738	S	S	*	*			trans	-111.7	115.6	-175.8	-163.9	-39.7	0	0	0	109.6	Y490	D488-Y490 PolarHBondContact O-N 3.41Å
489	P	43.6	Very low	33.4	Very low	108 Å²	108	141.5 Å²	141.5	70%	0.701	72%	0.716	S	S	*	*			trans	-102.5	38.1	-150.1	40.7	-40.1	0	0	0	115.8
490	Y	36.1	Very low	33.7	Very low	196 Å²	196	142.3 Å²	142.3	77%	0.769	72%	0.717	S	S	*	*	S	Bend	trans	-111.3	-17.9	-174.3	-98.2	-77.2	0	0	0	119.1	D488	D488-Y490 PolarHBondContact O-N 3.41Å
491	Y	35.8	Very low	33.9	Very low	226 Å²	226	137 Å²	137	89%	0.886	70%	0.703	S	S	*	*	S	Bend	trans	-144.1	88.8	166.5	-88	-74.2	0	0	0	111.2	Y493	Y491-Y493 PolarHBondContact O-N 3.22Å
492	G	31.9	Very low	34.4	Very low	73 Å²	73	139.5 Å²	139.5	75%	0.753	70%	0.702	S	S	*	*			trans	-59.7	130.6	170.6	0	0	0	0	0	111
493	Y	32.3	Very low	34.2	Very low	133 Å²	133	132 Å²	132	52%	0.522	69%	0.694	S	S	.	*			trans	-97.4	133.3	144.7	-111.9	-122.4	0	0	0	107.5	K114 Y491 D495	K114-Y493 HydrophobicContact CD-CE1 4.07Å; K114-Y493 HydrophobicContact CD-CE2 3.86Å; K114-Y493 WeakPolarHBondContact CD-OH 3.43Å; K114-Y493 VanDerWaalsContact CE-CE2 3.43Å; Y491-Y493 PolarHBondContact O-N 3.22Å; Y493-D495 PolarHBondContact O-N 3.04Å
494	D	34.3	Very low	34.2	Very low	156 Å²	156	124.2 Å²	124.2	83%	0.834	69%	0.689	S	S	*	*			trans	-64.9	90.5	171.5	-171.4	-91.6	0	0	0	107.1	G496	D494-G496 PolarHBondContact O-N 3.06Å
495	D	32.2	Very low	34.4	Very low	112 Å²	112	124.8 Å²	124.8	60%	0.599	70%	0.695	S	S	*	*			trans	-77.3	72.6	174.8	-160.7	-13.9	0	0	0	107.4	Y493 Y497	Y493-D495 PolarHBondContact O-N 3.04Å; D495-Y497 HydrophobicContact CB-CD1 3.87Å; D495-Y497 HydrophobicContact CB-CE1 3.78Å; D495-Y497 WeakPolarHBondContact O-CD1 3.29Å; D495-Y497 WeakPolarHBondContact O-CD2 3.19Å; D495-Y497 WeakPolarHBondContact O-CE1 3.41Å; D495-Y497 VanDerWaalsContact O-CG 3.28Å; D495-Y497 PolarHBondContact O-N 2.86Å; D495-Y497 VanDerWaalsContact OD1-CD1 3.23Å; D495-Y497 WeakPolarHBondContact OD1-CD1 3.41Å
496	G	29.3	Very low	34.9	Very low	56 Å²	56	133.4 Å²	133.4	58%	0.577	71%	0.705	S	S	*	*			trans	-66.5	58.8	173.5	0	0	0	0	0	110.9	D494 A498	D494-G496 PolarHBondContact O-N 3.06Å; G496-A498 PolarHBondContact O-N 2.82Å
497	Y	28.6	Very low	34.9	Very low	154 Å²	154	126.2 Å²	126.2	60%	0.604	70%	0.7	S	S	*	*			trans	-68.3	70.5	173.2	35.8	-124.6	0	0	0	110.8	D495 V499	D495-Y497 HydrophobicContact CB-CD1 3.87Å; D495-Y497 HydrophobicContact CB-CE1 3.78Å; D495-Y497 WeakPolarHBondContact O-CD1 3.29Å; D495-Y497 WeakPolarHBondContact O-CD2 3.19Å; D495-Y497 WeakPolarHBondContact O-CE1 3.41Å; D495-Y497 VanDerWaalsContact O-CG 3.28Å; D495-Y497 PolarHBondContact O-N 2.86Å; D495-Y497 VanDerWaalsContact OD1-CD1 3.23Å; D495-Y497 WeakPolarHBondContact OD1-CD1 3.41Å; Y497-V499 WeakPolarHBondContact O-CG2 3.47Å; Y497-V499 PolarHBondContact O-N 2.86Å
498	A	30.5	Very low	34.9	Very low	74 Å²	74	120.8 Å²	120.8	61%	0.612	69%	0.694	S	S	*	*			trans	-63	82.3	163.3	0	0	0	0	0	109.2	G496 R500	G496-A498 PolarHBondContact O-N 2.82Å; A498-R500 VanDerWaalsContact C-N 3.32Å; A498-R500 PolarHBondContact O-N 3.39Å
499	V	41	Very low	34.7	Very low	47 Å²	47	126.4 Å²	126.4	29%	0.285	70%	0.704	S	S	.	*			trans	-61.1	90.6	172.5	170.9	0	0	0	0	107.9	Y497 P522 P523 R524	Y497-V499 WeakPolarHBondContact O-CG2 3.47Å; Y497-V499 PolarHBondContact O-N 2.86Å; V499-P522 WeakPolarHBondContact O-CB 3.39Å; V499-P523 CarbonylContact C-O 3.59Å; V499-P523 WeakPolarHBondContact CA-O 3.32Å; V499-P523 WeakPolarHBondContact CG1-O 3.47Å; V499-P523 VanDerWaalsContact O-O 3.06Å; V499-R524 HydrophobicContact CG1-CG 4.32Å
500	R	32.9	Very low	34.2	Very low	200 Å²	200	124.5 Å²	124.5	76%	0.755	70%	0.704	S	S	*	*			trans	-132.4	143.6	165.3	-58.7	177.8	-176.9	167.7	1.5	110.6	A498 P523 R524	A498-R500 VanDerWaalsContact C-N 3.32Å; A498-R500 PolarHBondContact O-N 3.39Å; R500-P523 CarbonylContact C-O 3.56Å; R500-P523 WeakPolarHBondContact CA-O 3.47Å; R500-P523 PolarHBondContact N-O 3.36Å; R500-R524 WeakPolarHBondContact O-CA 3.48Å
501	G	33.3	Very low	34	Very low	39 Å²	39	119.9 Å²	119.9	40%	0.402	71%	0.706	S	S	.	*			cis	117.9	119.5	-3.9	0	0	0	0	0	113.4	P523 R524	G501-P523 PolarHBondContact N-O 3.24Å; G501-R524 PolarHBondContact N-O 3.06Å
502	R	41.5	Very low	34.2	Very low	191 Å²	191	114.7 Å²	114.7	72%	0.721	70%	0.7	S	S	*	*			cis	64.5	99.3	-3.7	-174.4	-168.2	164.5	-166.5	-9.1	117.2	P523 R524 G525	R502-P523 WeakPolarHBondContact O-CB 3.15Å; R502-P523 WeakPolarHBondContact O-CG 3.46Å; R502-R524 WeakPolarHBondContact CB-O 3.34Å; R502-R524 WeakPolarHBondContact CD-O 3.08Å; R502-G525 PolarHBondContact NH1-O 3.33Å
503	G	31.7	Very low	34.6	Very low	68 Å²	68	116.9 Å²	116.9	70%	0.701	70%	0.701	S	S	*	*			cis	-71.9	-178.7	-13.8	0	0	0	0	0	112.3
504	G	34.5	Very low	35	Very low	81 Å²	81	116.1 Å²	116.1	84%	0.835	71%	0.713	S	S	*	*			cis	174.5	154.6	-2.7	0	0	0	0	0	110.5
505	G	36.1	Very low	35.2	Very low	71 Å²	71	114.8 Å²	114.8	73%	0.732	71%	0.713	S	S	*	*			trans	87.1	142.2	-171	0	0	0	0	0	112.4
506	R	38.9	Very low	35.4	Very low	257 Å²	257	121.5 Å²	121.5	97%	0.97	73%	0.73	S	S	*	*			cis	86.9	144.9	34.2	-71.6	-174.4	170.4	-174.8	-2.2	113.9
507	G	35	Very low	36.1	Very low	77 Å²	77	122.3 Å²	122.3	79%	0.794	74%	0.738	S	S	*	*			trans	106.6	121.1	-164.3	0	0	0	0	0	108.6
508	G	37.1	Very low	36.8	Very low	72 Å²	72	127.7 Å²	127.7	74%	0.742	76%	0.757	S	S	*	*			cis	90.9	132.2	8.8	0	0	0	0	0	111.7	G510	G508-G510 PolarHBondContact O-N 2.82Å
509	R	32.8	Very low	37	Very low	263 Å²	263	128.3 Å²	128.3	99%	0.992	77%	0.77	S	S	*	*	S	Bend	trans	-46.7	130	170.7	-66.1	168	168.2	168.4	-6.3	110.7
510	G	32.1	Very low	36.6	Very low	68 Å²	68	131.2 Å²	131.2	70%	0.701	80%	0.799	S	S	*	*			trans	139.6	114.6	174.6	0	0	0	0	0	111.7	G508	G508-G510 PolarHBondContact O-N 2.82Å
511	A	33.2	Very low	36.6	Very low	99 Å²	99	127.9 Å²	127.9	82%	0.818	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-72.7	131.9	175.9	0	0	0	0	0	110.6
512	P	39.9	Very low	35.9	Very low	117 Å²	117	130.4 Å²	130.4	76%	0.76	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-70.7	153.1	165.3	30.8	-33.2	0	0	0	110.6
513	P	39.6	Very low	35	Very low	119 Å²	119	124 Å²	124	77%	0.773	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-75.3	162.5	-168.6	29.4	-36.3	0	0	0	115.1
514	P	40.1	Very low	34.8	Very low	117 Å²	117	128 Å²	128	76%	0.76	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-65	164.5	178.5	26.8	-36.3	0	0	0	114.5
515	P	39.3	Very low	34.7	Very low	128 Å²	128	126.6 Å²	126.6	83%	0.831	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-68.2	138.9	-168	25.3	-36.2	0	0	0	116.1
516	R	36	Very low	34.3	Very low	254 Å²	254	134.8 Å²	134.8	96%	0.958	79%	0.785	S	S	*	*			trans	-137	132.7	150	-65.9	-177.4	174.7	170	-2	106.4
517	G	44.6	Very low	34	Very low	73 Å²	73	126.5 Å²	126.5	75%	0.753	77%	0.772	S	S	*	*			trans	-108.4	174.9	-155.1	0	0	0	0	0	119.2
518	R	42	Very low	34	Very low	267 Å²	267	124.7 Å²	124.7	100%	1.008	75%	0.753	S	S	*	*			trans	129.6	61.1	163.2	-66.6	170.8	174.2	-178.2	-2.3	118.2
519	G	35.4	Very low	34.1	Very low	86 Å²	86	127.5 Å²	127.5	89%	0.887	74%	0.742	S	S	*	*			trans	103.7	124.3	148.3	0	0	0	0	0	125.5
520	A	33	Very low	34.1	Very low	108 Å²	108	118.1 Å²	118.1	89%	0.893	72%	0.716	S	S	*	*			trans	-168	0	175	0	0	0	0	0	121.6
521	P	32.2	Very low	34.7	Very low	130 Å²	130	116.7 Å²	116.7	84%	0.844	69%	0.692	S	S	*	*				0	0	0	41.1	-20.7	0	0	0	122.7
522	P	18.3	Very low	35	Very low	93 Å²	93	114.7 Å²	114.7	60%	0.604	66%	0.663	S	S	*	*				0	0	0	47.2	-30	0	0	0	124.9	V499	V499-P522 WeakPolarHBondContact O-CB 3.39Å
523	P	23.5	Very low	34.5	Very low	55 Å²	55	110.8 Å²	110.8	36%	0.357	64%	0.644	S	S	.	*				0	-155.4	0	30.3	-6.1	0	0	0	123.4	V499 R500 G501 R502	V499-P523 CarbonylContact C-O 3.59Å; V499-P523 WeakPolarHBondContact CA-O 3.32Å; V499-P523 WeakPolarHBondContact CG1-O 3.47Å; V499-P523 VanDerWaalsContact O-O 3.06Å; R500-P523 CarbonylContact C-O 3.56Å; R500-P523 WeakPolarHBondContact CA-O 3.47Å; R500-P523 PolarHBondContact N-O 3.36Å; G501-P523 PolarHBondContact N-O 3.24Å; R502-P523 WeakPolarHBondContact O-CB 3.15Å; R502-P523 WeakPolarHBondContact O-CG 3.46Å
524	R	27.9	Very low	34.9	Very low	152 Å²	152	106.9 Å²	106.9	57%	0.574	62%	0.621	S	S	*	*			trans	-146	-158.9	-170.3	-115.5	170.8	-179.9	172.7	-0.6	124.9	V499 R500 G501 R502	V499-R524 HydrophobicContact CG1-CG 4.32Å; R500-R524 WeakPolarHBondContact O-CA 3.48Å; G501-R524 PolarHBondContact N-O 3.06Å; R502-R524 WeakPolarHBondContact CB-O 3.34Å; R502-R524 WeakPolarHBondContact CD-O 3.08Å
525	G	30.8	Very low	34.8	Very low	53 Å²	53	104.3 Å²	104.3	55%	0.546	61%	0.605	S	S	.	*			trans	-91.4	0	-156.5	0	0	0	0	0	124.6	R502	R502-G525 PolarHBondContact NH1-O 3.33Å
526	R	27.9	Very low	35.2	Very low	242 Å²	242	103.5 Å²	103.5	91%	0.913	59%	0.593	S	S	*	*				0	0	0	179.8	-98.5	164.5	88.4	1.4	116.2
527	A	34.3	Very low	35.4	Very low	84 Å²	84	92.3 Å²	92.3	69%	0.694	56%	0.557	S	S	*	*				0	0	0	0	0	0	0	0	122.5
528	G	33.3	Very low	35.1	Very low	39 Å²	39	93.2 Å²	93.2	40%	0.402	55%	0.549	S	S	.	.				0	0	0	0	0	0	0	0	126.8	R307	R307-G528 WeakPolarHBondContact CG-O 3.47Å
529	Y	40.7	Very low	35.2	Very low	130 Å²	130	82.9 Å²	82.9	51%	0.51	52%	0.517	S	S	.	.				0	165.4	0	-131.2	-91.9	0	0	0	126.1	A303 R307	A303-Y529 HydrophobicContact CB-CD1 3.32Å; A303-Y529 HydrophobicContact CB-CE1 3.3Å; R307-Y529 VanDerWaalsContact CB-O 3.24Å; R307-Y529 WeakPolarHBondContact CB-O 3.33Å; R307-Y529 WeakPolarHBondContact CD-O 3.3Å; R307-Y529 VanDerWaalsContact CG-O 3.3Å; R307-Y529 WeakPolarHBondContact CG-O 3.47Å; R307-Y529 VanDerWaalsContact CZ-O 3.29Å; R307-Y529 PolarHBondContact NE-O 2.87Å; R307-Y529 PolarHBondContact NH1-O 3.49Å
530	S	32.1	Very low	35	Very low	66 Å²	66	85.9 Å²	85.9	46%	0.462	50%	0.501	S	S	.	.			trans	-141.6	-172.3	-166.3	-55.4	0	0	0	0	120.3	K300 A303 Q304	K300-S530 CarbonylContact O-C 3.53Å; A303-S530 CarbonylContact C-O 3.53Å; A303-S530 WeakPolarHBondContact CB-O 3.4Å; Q304-S530 VanDerWaalsContact CA-O 3.29Å; Q304-S530 WeakPolarHBondContact CA-O 3.48Å; Q304-S530 WeakPolarHBondContact CB-O 3.41Å; Q304-S530 PolarHBondContact N-O 3.28Å
531	Q	43.8	Very low	35	Very low	38 Å²	38	83 Å²	83	18%	0.178	48%	0.481	C	S	.	.			trans	-132	142.5	-148.8	-173.9	63.8	-21.5	0	0	124.9	E271 K300 S301 Q304	E271-Q531 PolarHBondContact OE2-NE2 2.76Å; K300-Q531 WeakPolarHBondContact CD-O 3.32Å; K300-Q531 WeakPolarHBondContact CE-O 3.37Å; K300-Q531 WeakPolarHBondContact CG-O 3.37Å; K300-Q531 PolarHBondContact NZ-O 3.39Å; K300-Q531 CarbonylContact O-C 3.48Å; K300-Q531 WeakPolarHBondContact O-CA 3.46Å; K300-Q531 PolarHBondContact O-N 2.93Å; S301-Q531 VanDerWaalsContact CA-OE1 3.26Å; S301-Q531 PolarHBondContact OG-OE1 3.11Å; Q304-Q531 HydrophobicContact CB-CB 3.76Å; Q304-Q531 HydrophobicContact CB-CG 4.29Å; Q304-Q531 HydrophobicContact CG-CB 4.19Å
532	R	39.6	Very low	35	Very low	58 Å²	58	82.4 Å²	82.4	22%	0.219	48%	0.48	C	S	.	.			trans	56.3	134	162.4	-152.6	110.4	-81.1	158.6	-0.2	129.5	E271 G272 E297 D298 K300 S301	E271-R532 VanDerWaalsContact C-NH1 3.29Å; E271-R532 PolarHBondContact O-NH1 3.29Å; E271-R532 PolarHBondContact O-NH2 2.9Å; G272-R532 VanDerWaalsContact CA-NH1 3.26Å; G272-R532 PolarHBondContact O-NH2 3.2Å; E297-R532 VanDerWaalsContact CD-CZ 3.42Å; E297-R532 WeakPolarHBondContact OE1-CD 3.39Å; E297-R532 IonicContact OE1-CZ 2.67Å; E297-R532 IonicContact OE1-NE 3.55Å; E297-R532 PolarHBondContact OE1-NE 3.27Å; E297-R532 VanDerWaalsContact OE1-NE 3.12Å; E297-R532 IonicContact OE1-NH1 2.72Å; E297-R532 PolarHBondContact OE1-NH1 2.89Å; E297-R532 IonicContact OE1-NH2 2.66Å; E297-R532 PolarHBondContact OE1-NH2 2.89Å; D298-R532 WeakPolarHBondContact OD1-CA 3.4Å; D298-R532 WeakPolarHBondContact OD2-CD 3.42Å; D298-R532 WeakPolarHBondContact OD2-CG 3.46Å; D298-R532 IonicContact OD2-CZ 2.84Å; D298-R532 IonicContact OD2-NE 2.9Å; D298-R532 PolarHBondContact OD2-NE 2.88Å; D298-R532 IonicContact OD2-NH2 3.3Å; K300-R532 VanDerWaalsContact CD-O 3.3Å; K300-R532 WeakPolarHBondContact CD-O 3.46Å; K300-R532 PolarHBondContact NZ-O 3.48Å; K300-R532 PolarHBondContact O-N 3.05Å; S301-R532 VanDerWaalsContact CB-NE 3.25Å; S301-R532 VanDerWaalsContact N-N 3.18Å; S301-R532 WeakPolarHBondContact OG-CA 3.24Å; S301-R532 WeakPolarHBondContact OG-CB 3.21Å; S301-R532 WeakPolarHBondContact OG-CD 3.48Å; S301-R532 PolarHBondContact OG-N 3.17Å; S301-R532 PolarHBondContact OG-NE 2.77Å; S301-R532 PolarHBondContact OG-NH2 3.41Å
533	G	30.2	Very low	35.8	Very low	35 Å²	35	86.6 Å²	86.6	36%	0.361	48%	0.484	S	S	.	.			trans	161.3	123.7	152	0	0	0	0	0	120.7	D298	D298-G533 VanDerWaalsContact CB-O 3.31Å; D298-G533 WeakPolarHBondContact CB-O 3.42Å; D298-G533 PolarHBondContact OD1-N 2.87Å; D298-G533 PolarHBondContact OD2-N 2.73Å
534	A	48.9	Very low	36.1	Very low	36 Å²	36	87.8 Å²	87.8	30%	0.298	51%	0.507	S	S	.	.			trans	-169.9	-164.6	170.5	0	0	0	0	0	111.3	Q160 D298	Q160-A534 VanDerWaalsContact CD-CA 3.45Å; Q160-A534 PolarHBondContact OE1-O 2.84Å; D298-A534 HydrophobicContact CB-CB 3.66Å
535	P	36.8	Very low	36.2	Very low	64 Å²	64	84 Å²	84	42%	0.416	52%	0.515	S	S	.	.			cis	-137.6	164.4	-25.2	40.4	-22.8	0	0	0	118.1	Q160 P161	Q160-P535 CarbonylContact O-C 3.51Å; P161-P535 WeakPolarHBondContact O-CA 3.33Å
536	L	48.4	Very low	36.4	Very low	111 Å²	111	89.6 Å²	89.6	58%	0.581	52%	0.519	S	S	*	.			trans	123.8	125.3	159.8	-68.1	162.4	0	0	0	122.1	V159 Q160 P161	V159-L536 HydrophobicContact CG2-CB 3.84Å; V159-L536 HydrophobicContact CG2-CD1 4.16Å; Q160-L536 CarbonylContact O-C 3.59Å; Q160-L536 WeakPolarHBondContact O-CA 3.42Å; Q160-L536 PolarHBondContact O-N 2.75Å; P161-L536 WeakPolarHBondContact CA-O 3.46Å; P161-L536 PolarHBondContact O-N 2.73Å
537	G	40	Very low	36.4	Very low	19 Å²	19	82.2 Å²	82.2	20%	0.196	52%	0.519	C	S	.	.			trans	163.3	117.6	158.7	0	0	0	0	0	121.3	T165 G215 K216	T165-G537 WeakPolarHBondContact CG2-O 3.31Å; G215-G537 CarbonylContact C-O 3.59Å; G215-G537 WeakPolarHBondContact CA-O 3.45Å; K216-G537 PolarHBondContact N-O 3.45Å
538	P	38.9	Very low	35.9	Very low	91 Å²	91	81.3 Å²	81.3	59%	0.591	52%	0.518	S	S	*	.			trans	-46.9	-176.8	137.8	33.1	-7.9	0	0	0	118.6	G215 K216	G215-P538 WeakPolarHBondContact CA-O 3.07Å; K216-P538 HydrophobicContact CB-CB 3.91Å; K216-P538 HydrophobicContact CB-CG 4Å
539	P	43	Very low	35.8	Very low	50 Å²	50	84.3 Å²	84.3	33%	0.325	53%	0.53	S	S	.	.			trans	-150.7	-157.4	-144.3	46.5	-23.5	0	0	0	117.6	E217 G541	E217-P539 HydrophobicContact CB-CB 3.58Å; E217-P539 HydrophobicContact CB-CG 3.4Å; E217-P539 HydrophobicContact CG-CB 4.19Å; E217-P539 HydrophobicContact CG-CG 3.44Å; E217-P539 VanDerWaalsContact CG-CG 3.44Å; E217-P539 VanDerWaalsContact N-CB 3.31Å; E217-P539 WeakPolarHBondContact OE1-CG 3.42Å; P539-G541 VanDerWaalsContact C-N 3.32Å; P539-G541 PolarHBondContact O-N 3.39Å
540	R	32	Very low	35.2	Very low	150 Å²	150	82.9 Å²	82.9	57%	0.566	55%	0.545	S	S	*	.			trans	52	38.5	171.4	-76.8	-163	172.5	125.8	4.6	116.3	E217 E221	E217-R540 HydrophobicContact CB-CG 4.23Å; E217-R540 WeakPolarHBondContact OE2-CD 3.29Å; E217-R540 IonicContact OE2-CZ 3.22Å; E217-R540 VanDerWaalsContact OE2-CZ 3.31Å; E217-R540 IonicContact OE2-NE 2.98Å; E217-R540 IonicContact OE2-NH1 3.31Å; E217-R540 PolarHBondContact OE2-NH1 2.67Å; E221-R540 IonicContact OE2-CZ 2.96Å; E221-R540 VanDerWaalsContact OE2-CZ 3.29Å; E221-R540 IonicContact OE2-NE 2.79Å; E221-R540 PolarHBondContact OE2-NE 3.38Å; E221-R540 IonicContact OE2-NH2 2.78Å; E221-R540 PolarHBondContact OE2-NH2 2.64Å
541	G	33.1	Very low	35.2	Very low	46 Å²	46	87.8 Å²	87.8	47%	0.474	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-61.9	145.5	147.2	0	0	0	0	0	111.1	P539	P539-G541 VanDerWaalsContact C-N 3.32Å; P539-G541 PolarHBondContact O-N 3.39Å
542	S	32.4	Very low	34.5	Very low	118 Å²	118	94.8 Å²	94.8	83%	0.825	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-54.2	147.7	-172.1	-54.6	0	0	0	0	115.7
543	R	33.8	Very low	34.1	Very low	182 Å²	182	99 Å²	99	69%	0.687	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-55.6	148.2	157.3	-67.9	174.3	173.6	163.4	-0	111.3
544	G	30.8	Very low	34	Very low	80 Å²	80	108.3 Å²	108.3	83%	0.825	64%	0.64	S	S	*	*			trans	65.7	124.2	142	0	0	0	0	0	118.1
545	G	30.1	Very low	33	Very low	72 Å²	72	110.3 Å²	110.3	74%	0.742	66%	0.663	S	S	*	*			cis	116.1	140.9	2.2	0	0	0	0	0	113.2
546	R	34.8	Very low	33	Very low	171 Å²	171	119.4 Å²	119.4	65%	0.645	69%	0.69	S	S	*	*			trans	70.6	119.2	176.9	-54.9	-177.9	178.4	-140.6	-4.4	116.9	R133	R133-R546 HydrophobicContact CG-CG 4.3Å
547	G	28.3	Very low	32.1	Very low	87 Å²	87	117.4 Å²	117.4	90%	0.897	70%	0.695	S	S	*	*			trans	148.7	84.8	162.8	0	0	0	0	0	112.6
548	G	23.5	Very low	31.8	Very low	65 Å²	65	122 Å²	122	67%	0.67	73%	0.725	S	S	*	*			cis	171.2	175.3	-0.8	0	0	0	0	0	110.3	A550	G548-A550 PolarHBondContact O-N 3.12Å
549	P	30.6	Very low	31.6	Very low	102 Å²	102	130.1 Å²	130.1	66%	0.662	74%	0.744	S	S	*	*			trans	-80.3	113.7	176.8	31.3	-31.9	0	0	0	110.9
550	A	29.3	Very low	31	Very low	100 Å²	100	131.4 Å²	131.4	83%	0.826	77%	0.766	S	S	*	*			trans	-155.8	134.1	160.8	0	0	0	0	0	112.5	G548	G548-A550 PolarHBondContact O-N 3.12Å
551	Q	30.2	Very low	30.9	Very low	168 Å²	168	129.8 Å²	129.8	79%	0.785	78%	0.778	S	S	*	*			trans	-56.5	158.4	174	-173.6	-178.5	7.5	0	0	113.8	Q553	Q551-Q553 PolarHBondContact O-N 3.23Å; Q551-Q553 VanDerWaalsContact O-N 3.12Å
552	Q	29.8	Very low	31	Very low	185 Å²	185	140 Å²	140	86%	0.864	80%	0.802	S	S	*	*			trans	-57.7	110.3	162.8	-64.8	174	-4.1	0	0	111.3
553	Q	31.8	Very low	31	Very low	146 Å²	146	137.7 Å²	137.7	68%	0.682	80%	0.797	S	S	*	*			trans	-159.6	130.1	151.2	-117.3	-177.6	83.9	0	0	114.1	Q551	Q551-Q553 PolarHBondContact O-N 3.23Å; Q551-Q553 VanDerWaalsContact O-N 3.12Å
554	R	27.5	Very low	30.8	Very low	232 Å²	232	136.4 Å²	136.4	88%	0.875	80%	0.804	S	S	*	*			trans	30.8	92.3	148.6	-63.1	173.2	176	177.1	-2.5	117.6
555	G	29.2	Very low	31	Very low	77 Å²	77	144 Å²	144	79%	0.794	81%	0.808	S	S	*	*			trans	-81.2	172.8	173.2	0	0	0	0	0	115.7
556	R	35.1	Very low	30.9	Very low	256 Å²	256	144.5 Å²	144.5	97%	0.966	81%	0.812	S	S	*	*			trans	-165.4	136.3	170.4	-107.5	176.9	-179.9	-170.9	-0.1	111.9
557	G	31	Very low	30.9	Very low	68 Å²	68	140.1 Å²	140.1	70%	0.701	82%	0.82	S	S	*	*			trans	77.5	132.4	170.3	0	0	0	0	0	114.2
558	S	32.5	Very low	31	Very low	117 Å²	117	143.9 Å²	143.9	82%	0.818	82%	0.82	S	S	*	*			cis	78.4	132.2	24.4	-47.3	0	0	0	0	115.7
559	R	35.3	Very low	31.4	Very low	261 Å²	261	147.2 Å²	147.2	99%	0.985	83%	0.827	S	S	*	*			trans	86.1	137.1	-167.8	-55.6	162.8	178.2	173.3	-1.3	112.9
560	G	30.6	Very low	31.5	Very low	77 Å²	77	145.7 Å²	145.7	79%	0.794	83%	0.829	S	S	*	*			cis	179.8	138.7	-5.3	0	0	0	0	0	112.5
561	S	29.8	Very low	31.6	Very low	116 Å²	116	144.4 Å²	144.4	81%	0.811	83%	0.826	S	S	*	*			trans	-69.6	143.8	-170.7	-37.7	0	0	0	0	115.4
562	R	34.8	Very low	31.7	Very low	259 Å²	259	145.4 Å²	145.4	98%	0.977	83%	0.828	S	S	*	*			trans	170	126	151.4	-91.1	145.4	-171.8	-160.7	2.8	108.4
563	G	32.3	Very low	31.9	Very low	70 Å²	70	147.5 Å²	147.5	72%	0.722	83%	0.827	S	S	*	*			cis	158.3	151.2	-11.6	0	0	0	0	0	111.7
564	N	30.6	Very low	31.8	Very low	156 Å²	156	148.1 Å²	148.1	83%	0.834	83%	0.828	S	S	*	*			trans	58.5	142.3	165.6	-70	0.1	0	0	0	118.6
565	R	33.9	Very low	32	Very low	240 Å²	240	140.8 Å²	140.8	91%	0.906	82%	0.817	S	S	*	*			cis	-132.6	164.7	-5.6	-78	127	174.4	-179.2	-1.9	105.7
566	G	27.8	Very low	32.3	Very low	81 Å²	81	143.2 Å²	143.2	84%	0.835	81%	0.812	S	S	*	*			cis	121.5	113.9	22.9	0	0	0	0	0	108.7
567	G	36	Very low	32.3	Very low	79 Å²	79	134.1 Å²	134.1	81%	0.814	80%	0.798	S	S	*	*			trans	173.9	95.9	-175	0	0	0	0	0	111
568	N	29.5	Very low	32.5	Very low	167 Å²	167	142.1 Å²	142.1	89%	0.893	81%	0.808	S	S	*	*			trans	-99.8	136	-163.3	-147.8	29.1	0	0	0	112.1
569	V	32.9	Very low	32.4	Very low	135 Å²	135	143.5 Å²	143.5	82%	0.818	81%	0.807	S	S	*	*			trans	-106.2	116.6	175	-178.1	0	0	0	0	109.8
570	G	31.7	Very low	32.4	Very low	69 Å²	69	139.8 Å²	139.8	71%	0.711	80%	0.8	S	S	*	*			trans	-86.1	144.5	154.4	0	0	0	0	0	108.5
571	G	30.4	Very low	33.3	Very low	73 Å²	73	141.7 Å²	141.7	75%	0.753	80%	0.799	S	S	*	*			cis	101.1	128	42	0	0	0	0	0	107.5
572	K	32.5	Very low	33.5	Very low	190 Å²	190	143.7 Å²	143.7	83%	0.826	80%	0.8	S	S	*	*			cis	-146.2	140.4	32.6	-60.8	162.1	-177.2	167.6	0	109.1
573	R	34	Very low	33.5	Very low	228 Å²	228	135.1 Å²	135.1	86%	0.86	78%	0.781	S	S	*	*				67.2	140.6	101.8	-61.5	-176.5	-179.8	-170.6	0.2	115.9
574	K	31.6	Very low	33.5	Very low	159 Å²	159	140.9 Å²	140.9	69%	0.691	79%	0.786	S	S	*	*			cis	-164.8	163.8	-3.6	-137.5	179.3	167.4	-84.5	0	114.1	D576	K574-D576 IonicContact NZ-OD2 2.73Å; K574-D576 PolarHBondContact NZ-OD2 3.01Å
575	A	31	Very low	33.7	Very low	78 Å²	78	145.5 Å²	145.5	65%	0.645	79%	0.791	S	S	*	*			trans	88	162	136.6	0	0	0	0	0	120.5
576	D	36	Very low	33.6	Very low	129 Å²	129	144.7 Å²	144.7	69%	0.69	79%	0.788	S	S	*	*			cis	175.7	131.3	-37.2	-77.6	-37.5	0	0	0	104.6	K574	K574-D576 IonicContact NZ-OD2 2.73Å; K574-D576 PolarHBondContact NZ-OD2 3.01Å
577	G	34.9	Very low	34	Very low	65 Å²	65	147.6 Å²	147.6	67%	0.67	78%	0.78	S	S	*	*			cis	175	-158.8	-4.4	0	0	0	0	0	110.7
578	Y	34.3	Very low	34.1	Very low	235 Å²	235	150.1 Å²	150.1	92%	0.922	78%	0.78	S	S	*	*			trans	91.6	159.1	159.8	-65.4	-81	0	0	0	122.7
579	N	30.4	Very low	34.7	Very low	146 Å²	146	149.6 Å²	149.6	78%	0.781	78%	0.777	S	S	*	*			trans	-175.8	144	-138.2	168	19.6	0	0	0	112.8
580	Q	35.9	Very low	35.3	Very low	183 Å²	183	145.6 Å²	145.6	86%	0.855	75%	0.751	S	S	*	*			trans	170	167.8	142.1	-94.2	-167	-8.1	0	0	117.4
581	P	49	Very low	35.4	Very low	118 Å²	118	144.2 Å²	144.2	77%	0.766	73%	0.726	S	S	*	*			trans	-138.6	177.7	-161.5	45.9	-30.1	0	0	0	120.7
582	D	34.4	Very low	36	Very low	157 Å²	157	142.9 Å²	142.9	84%	0.84	70%	0.701	S	S	*	*			trans	-166.7	-168.8	149.4	-145.2	-23.4	0	0	0	117.3
583	S	33.7	Very low	36	Very low	80 Å²	80	134 Å²	134	56%	0.559	66%	0.662	S	S	*	*			trans	-161.6	174.4	-143	67.7	0	0	0	0	124
584	K	33	Very low	35.9	Very low	191 Å²	191	124.6 Å²	124.6	83%	0.83	63%	0.626	S	S	*	*			trans	99.4	143.6	142.9	-78.1	166.6	-175.4	164.5	0	128.9
585	R	35.5	Very low	36.1	Very low	253 Å²	253	118.2 Å²	118.2	96%	0.955	61%	0.606	S	S	*	*			trans	-177.4	-169.8	149.9	-98.9	160.9	-159.7	-86	-3.4	117.7
586	R	31.7	Very low	36	Very low	222 Å²	222	117.1 Å²	117.1	84%	0.838	59%	0.593	S	S	*	*			trans	-153	-179.5	-169.5	-135.3	-174.7	-174.4	-153.6	9.8	112.7
587	Q	35.3	Very low	36.1	Very low	142 Å²	142	117.3 Å²	117.3	66%	0.664	59%	0.59	S	S	*	*			cis	-160.9	-158.5	9.6	-153.9	-178.6	-87.1	0	0	113.7
588	T	38.6	Very low	36	Very low	132 Å²	132	118.3 Å²	118.3	81%	0.81	59%	0.585	S	S	*	*			trans	-150.1	-178.9	-167.7	49.7	0	0	0	0	117.2
589	N	42.9	Very low	36.4	Very low	156 Å²	156	115.7 Å²	115.7	83%	0.834	59%	0.585	S	S	*	*			trans	-147.1	-178.6	-169.3	-150.1	81.2	0	0	0	117.6
590	N	43.7	Very low	36.2	Very low	52 Å²	52	113.4 Å²	113.4	28%	0.278	59%	0.586	S	S	.	*			trans	-160.8	-173.2	-174.5	-116.7	-8.4	0	0	0	113.7	L60 D61 E62	L60-N590 PolarHBondContact O-ND2 3.1Å; D61-N590 VanDerWaalsContact CA-OD1 3.28Å; D61-N590 WeakPolarHBondContact CA-OD1 3.43Å; E62-N590 PolarHBondContact N-OD1 3.14Å; E62-N590 VanDerWaalsContact N-OD1 3.11Å
591	Q	35.6	Very low	35.8	Very low	39 Å²	39	113.6 Å²	113.6	18%	0.182	59%	0.587	C	S	.	*			cis	-172.5	177	12.4	-117.6	-83.2	-17.4	0	0	114.9	Y57 L60 E62 N593	Y57-Q591 HydrophobicContact CE1-CB 4.27Å; Y57-Q591 HydrophobicContact CE1-CG 3.92Å; Y57-Q591 HydrophobicContact CE2-CG 4.15Å; Y57-Q591 VanDerWaalsContact OH-CB 3.22Å; Y57-Q591 WeakPolarHBondContact OH-CB 3.4Å; Y57-Q591 WeakPolarHBondContact OH-CG 3.46Å; Y57-Q591 PolarHBondContact OH-OE1 2.76Å; L60-Q591 PolarHBondContact O-NE2 3.03Å; L60-Q591 VanDerWaalsContact O-NE2 3.1Å; E62-Q591 PolarHBondContact OE1-N 3.05Å; Q591-N593 PolarHBondContact OE1-ND2 3.39Å
592	Q	42.6	Very low	34.7	Very low	46 Å²	46	117.2 Å²	117.2	22%	0.215	59%	0.594	C	S	.	*			trans	-170.9	159.2	-178.8	38.2	46.3	-92	0	0	117.7	E62 I65 D66	E62-Q592 VanDerWaalsContact CA-OE1 3.29Å; E62-Q592 HydrophobicContact CG-CG 4.38Å; E62-Q592 PolarHBondContact O-NE2 2.96Å; E62-Q592 PolarHBondContact O-OE1 2.98Å; I65-Q592 WeakPolarHBondContact CG2-O 3.48Å; D66-Q592 VanDerWaalsContact CG-NE2 3.29Å; D66-Q592 VanDerWaalsContact N-NE2 3.17Å; D66-Q592 PolarHBondContact OD1-NE2 3.17Å
593	N	32.7	Very low	34.4	Very low	3 Å²	3	114.9 Å²	114.9	2%	0.016	59%	0.588	C	S	.	*			trans	-152.3	-95.9	-175	-92.1	-78	0	0	0	129.7	T32 L33 A36 G37 L38 I65 Q591	T32-N593 VanDerWaalsContact O-CB 3.28Å; T32-N593 WeakPolarHBondContact O-CB 3.38Å; T32-N593 PolarHBondContact O-ND2 2.72Å; L33-N593 HydrophobicContact CB-CB 4.18Å; L33-N593 HydrophobicContact CD2-CB 4.38Å; L33-N593 VanDerWaalsContact CD2-CG 3.43Å; L33-N593 WeakPolarHBondContact CD2-ND2 3.4Å; L33-N593 VanDerWaalsContact CD2-OD1 3.24Å; L33-N593 WeakPolarHBondContact CD2-OD1 3.41Å; L33-N593 WeakPolarHBondContact O-CB 3.09Å; A36-N593 CarbonylContact C-O 3.5Å; A36-N593 VanDerWaalsContact C-O 3.23Å; A36-N593 CarbonylContact O-C 3.6Å; G37-N593 CarbonylContact C-O 3.57Å; G37-N593 WeakPolarHBondContact CA-O 3.29Å; G37-N593 PolarHBondContact N-O 3.46Å; L38-N593 VanDerWaalsContact CD1-OD1 3.25Å; L38-N593 WeakPolarHBondContact CD1-OD1 3.29Å; L38-N593 PolarHBondContact N-O 2.67Å; I65-N593 WeakPolarHBondContact CD1-ND2 3.44Å; I65-N593 HydrophobicContact CG2-CB 4.37Å; I65-N593 WeakPolarHBondContact CG2-OD1 3.47Å; Q591-N593 PolarHBondContact OE1-ND2 3.39Å
594	W	31.1	Very low	34	Very low	30 Å²	30	118.1 Å²	118.1	11%	0.114	60%	0.598	C	S	.	*	B	Isolated β-bridge		-123.8	161.7	-128.3	-177.5	107.3	0	0	0	129	Y30 L33 I34 A36 G37 L38 Q40 A43 S596	Y30-W594 WeakPolarHBondContact OH-CZ2 3.5Å; L33-W594 HydrophobicContact CB-CB 4.11Å; L33-W594 HydrophobicContact CB-CG 4.21Å; L33-W594 WeakPolarHBondContact O-CB 3.31Å; L33-W594 PolarHBondContact O-N 3.34Å; I34-W594 HydrophobicContact CB-CE3 4.46Å; I34-W594 HydrophobicContact CD1-CD2 4.27Å; I34-W594 HydrophobicContact CD1-CE3 3.93Å; I34-W594 HydrophobicContact CD1-CH2 3.69Å; I34-W594 HydrophobicContact CD1-CZ2 3.97Å; I34-W594 HydrophobicContact CD1-CZ3 3.67Å; A36-W594 WeakPolarHBondContact CA-O 3.46Å; A36-W594 PolarHBondContact N-O 3.48Å; G37-W594 WeakPolarHBondContact CA-O 3.45Å; L38-W594 CarbonylContact O-C 3.6Å; L38-W594 VanDerWaalsContact O-CA 3.31Å; L38-W594 WeakPolarHBondContact O-CA 3.5Å; Q40-W594 HydrophobicContact CB-CH2 4.01Å; Q40-W594 HydrophobicContact CB-CZ2 3.46Å; Q40-W594 VanDerWaalsContact CB-CZ2 3.46Å; Q40-W594 HydrophobicContact CG-CH2 4.15Å; Q40-W594 HydrophobicContact CG-CZ2 3.5Å; Q40-W594 VanDerWaalsContact CG-CZ2 3.5Å; A43-W594 HydrophobicContact CB-CG 4.48Å; W594-S596 WeakPolarHBondContact CH2-OG 3.45Å; W594-S596 WeakPolarHBondContact CZ3-OG 3.22Å
595	G	36.7	Very low	34.2	Very low	25 Å²	25	118.4 Å²	118.4	26%	0.258	60%	0.602	S	S	.	*			trans	134.1	147.2	157.6	0	0	0	0	0	119.3	L38	L38-G595 PolarHBondContact O-N 2.58Å
596	S	27.2	Very low	33.7	Very low	55 Å²	55	114.6 Å²	114.6	39%	0.385	60%	0.595	S	S	.	*			cis	-166.7	166.8	-10.6	-60.2	0	0	0	0	117.2	Q40 W594	Q40-S596 VanDerWaalsContact CB-CA 3.44Å; W594-S596 WeakPolarHBondContact CH2-OG 3.45Å; W594-S596 WeakPolarHBondContact CZ3-OG 3.22Å
597	Q	38	Very low	33.4	Very low	133 Å²	133	108.1 Å²	108.1	62%	0.621	60%	0.597	S	S	*	*			trans	104.3	133.6	154	-59.1	-62.5	-12.1	0	0	126.9	K41	K41-Q597 PolarHBondContact NZ-O 2.8Å
598	P	34	Very low	32.9	Very low	86 Å²	86	104.8 Å²	104.8	56%	0.558	60%	0.601	S	S	*	*			trans	-110.2	170.3	174.2	41.4	-34.2	0	0	0	118.4
599	I	42.6	Very low	32.3	Very low	180 Å²	180	106.2 Å²	106.2	92%	0.923	60%	0.604	S	S	*	*			trans	-138.3	159.5	175.1	-70.8	-177	0	0	0	111.9
600	A	26.8	Very low	31.9	Very low	98 Å²	98	109.8 Å²	109.8	81%	0.81	61%	0.607	S	S	*	*			trans	-89.9	172.9	-159.3	0	0	0	0	0	118.7
601	Q	26.5	Very low	31.1	Very low	188 Å²	188	113.2 Å²	113.2	88%	0.879	64%	0.635	S	S	*	*			trans	-91	150.8	-176.8	-54.8	170.9	2.2	0	0	114.1
602	Q	27	Very low	30.7	Very low	193 Å²	193	114.8 Å²	114.8	90%	0.902	66%	0.662	S	S	*	*			trans	-152.8	161.8	146.6	-86.4	-142.9	4.8	0	0	110.5
603	P	27	Very low	29.8	Very low	109 Å²	109	119.7 Å²	119.7	71%	0.708	69%	0.69	S	S	*	*			trans	-113.6	157.7	-144.4	40.7	-35.1	0	0	0	118.2
604	L	26.3	Very low	30	Very low	147 Å²	147	130.6 Å²	130.6	77%	0.77	73%	0.732	S	S	*	*			trans	47.4	120.6	143.1	-149.9	81.9	0	0	0	120.9	Q606	L604-Q606 HydrophobicContact CD2-CG 4.37Å
605	Q	35.5	Very low	29.6	Very low	197 Å²	197	131.8 Å²	131.8	92%	0.921	75%	0.754	S	S	*	*			trans	-138.3	145.6	140.2	-163.9	159.2	96.3	0	0	109.7
606	Q	25.4	Very low	29	Very low	174 Å²	174	141.1 Å²	141.1	81%	0.813	78%	0.783	S	S	*	*			trans	-98.2	157.1	-168.7	-65.9	173.5	-36.8	0	0	113.4	L604	L604-Q606 HydrophobicContact CD2-CG 4.37Å
607	G	25.2	Very low	29.2	Very low	85 Å²	85	146.4 Å²	146.4	88%	0.876	81%	0.807	S	S	*	*			trans	115.3	135.7	144.8	0	0	0	0	0	116.1
608	G	26.4	Very low	28.5	Very low	72 Å²	72	146.6 Å²	146.6	74%	0.742	81%	0.812	S	S	*	*			trans	141.6	45.4	166.3	0	0	0	0	0	117.3	Y610	G608-Y610 PolarHBondContact O-N 3.23Å
609	D	24.9	Very low	28.2	Very low	163 Å²	163	149.1 Å²	149.1	87%	0.872	82%	0.821	S	S	*	*			trans	-63.1	116.7	166.7	-65.9	-74.3	0	0	0	110.8
610	Y	35.3	Very low	27.6	Very low	230 Å²	230	147 Å²	147	90%	0.902	81%	0.812	S	S	*	*			trans	-142.3	91.6	163.9	-103.1	-76.6	0	0	0	111.5	G608	G608-Y610 PolarHBondContact O-N 3.23Å
611	S	26	Very low	27.7	Very low	125 Å²	125	150.5 Å²	150.5	87%	0.874	81%	0.811	S	S	*	*			trans	-77.7	133	163.9	49.8	0	0	0	0	109.9
612	G	28.4	Very low	27.5	Very low	72 Å²	72	150.4 Å²	150.4	74%	0.742	81%	0.81	S	S	*	*			trans	-149.1	79.5	-172.2	0	0	0	0	0	112.5
613	N	23.7	Very low	27.3	Very low	149 Å²	149	149.2 Å²	149.2	80%	0.797	80%	0.803	S	S	*	*			trans	-78.8	128.1	-179.7	170.6	73.8	0	0	0	112.1
614	Y	35.8	Very low	27.5	Very low	231 Å²	231	155.3 Å²	155.3	91%	0.906	81%	0.813	S	S	*	*			trans	-133	134.7	161.2	-86.2	-80.1	0	0	0	110.5
615	G	22.6	Very low	27.4	Very low	55 Å²	55	155.3 Å²	155.3	57%	0.567	81%	0.809	S	S	*	*			trans	-151.9	180	174.8	0	0	0	0	0	110.4
616	Y	23.9	Very low	27	Very low	221 Å²	221	152.5 Å²	152.5	87%	0.867	80%	0.801	S	S	*	*			trans	62.4	118.7	-178	-67.7	-89.3	0	0	0	116.4
617	N	31.4	Very low	27.1	Very low	166 Å²	166	150.7 Å²	150.7	89%	0.888	80%	0.802	S	S	*	*				-149	157.1	100.5	-108.4	-8.4	0	0	0	111.5
618	N	23	Very low	27.4	Very low	138 Å²	138	157 Å²	157	74%	0.738	80%	0.801	S	S	*	*			trans	-138.7	123	-178.2	161.5	86.6	0	0	0	106.6
619	D	27.5	Very low	27.5	Very low	138 Å²	138	156.9 Å²	156.9	74%	0.738	80%	0.8	S	S	*	*			trans	-167.1	166.7	167.9	-104.3	-34.9	0	0	0	113
620	N	31.3	Very low	28.2	Very low	137 Å²	137	158.3 Å²	158.3	73%	0.733	80%	0.801	S	S	*	*			trans	72	61.9	171.4	-64.4	-16.8	0	0	0	118.5
621	Q	28.2	Very low	27.8	Very low	171 Å²	171	155.7 Å²	155.7	80%	0.799	80%	0.797	S	S	*	*				59.1	128.5	111.6	-64.6	179	7.5	0	0	120.9
622	E	22.1	Very low	27.9	Very low	185 Å²	185	161.5 Å²	161.5	86%	0.864	80%	0.8	S	S	*	*			trans	-74.3	137	163.3	-53.4	158	124.3	0	0	110.6
623	F	24.1	Very low	28	Very low	169 Å²	169	171.2 Å²	171.2	74%	0.741	82%	0.822	S	S	*	*			trans	-158.7	106.5	154.4	-120.7	-75.6	0	0	0	111.5
624	Y	29.8	Very low	28.2	Very low	236 Å²	236	172.4 Å²	172.4	93%	0.925	82%	0.823	S	S	*	*			trans	-155.7	102	150.3	-104.6	-71.1	0	0	0	108.8
625	Q	24.1	Very low	27.8	Very low	147 Å²	147	169.3 Å²	169.3	69%	0.687	82%	0.819	S	S	*	*			trans	-77.9	149.9	153.5	-65.1	179.7	-7.6	0	0	107.6
626	D	28.8	Very low	28.1	Very low	139 Å²	139	175.6 Å²	175.6	74%	0.743	83%	0.832	S	S	*	*				-170.9	131.4	111.8	-103.7	-25	0	0	0	112.4
627	T	26.2	Very low	28.3	Very low	136 Å²	136	172.9 Å²	172.9	83%	0.834	83%	0.83	S	S	*	*			trans	-113.3	99.4	167.4	49	0	0	0	0	109.3
628	Y	32	Very low	28.1	Very low	217 Å²	217	173.4 Å²	173.4	85%	0.851	83%	0.827	S	S	*	*			trans	-131.2	128	162.9	-91.9	-81.2	0	0	0	110.6
629	G	28.4	Very low	28.4	Very low	70 Å²	70	175.7 Å²	175.7	72%	0.722	83%	0.833	S	S	*	*			trans	-93.1	164.1	172.8	0	0	0	0	0	111.7
630	Q	40.3	Very low	28.5	Very low	192 Å²	192	178.4 Å²	178.4	90%	0.897	84%	0.84	S	S	*	*			trans	-123.8	136.4	161.8	-83.4	-71.5	12.9	0	0	109.3
631	Q	27	Very low	28.3	Very low	175 Å²	175	181.6 Å²	181.6	82%	0.818	85%	0.848	S	S	*	*			trans	-98.9	132.7	173.7	-70.5	-178.3	-8.1	0	0	109.8
632	W	26.6	Very low	28.3	Very low	248 Å²	248	182.5 Å²	182.5	94%	0.939	85%	0.852	S	S	*	*			trans	22.9	108.8	148.5	-65.6	82.3	0	0	0	118.7
633	K	30.3	Very low	28.9	Very low	276 Å²	276	182.3 Å²	182.3	100%	1.2	85%	0.851	S	S	*	*				-136.8	0	113.7	-103.5	-174.4	179.2	-179	0	110.2

Retrieved 633 of 633 residues in 2292 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).