Z4YIA7_DANRE Loading...

Calumenin-A precursor

Involved in regulation of vitamin K-dependent carboxylation of multiple N-terminal glutamate residues. Seems to inhibit gamma-carboxylase GGCX. Binds 7 calcium ions with a low affinity.

AlphaFold DB , UniProt , Accession Z4YIA7, Species DANRE (Danio rerio, Zebrafish), Gene calua, Length 317 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.7	Very low	40.9	Very low	242 Å²	242	167.7 Å²	167.7	100%	1.192	83%	0.834	S	S	*	*				0	115.4	0	-154.5	163.9	75.2	0	0	106.5
2	K	40.2	Very low	40.8	Very low	204 Å²	204	169.8 Å²	169.8	89%	0.887	84%	0.835	S	S	*	*			trans	-64.3	142.3	-179.7	-72.6	177.5	174.1	-178.7	0	109.7
3	M	39.2	Very low	40.7	Very low	170 Å²	170	162.8 Å²	162.8	84%	0.837	82%	0.821	S	S	*	*			trans	-158.3	109.9	144	-104.9	171.9	72.8	0	0	108.3
4	E	43.5	Very low	40.5	Very low	165 Å²	165	162.5 Å²	162.5	77%	0.771	82%	0.822	S	S	*	*			trans	-73.3	138.7	165	-62.3	-161.8	162.9	0	0	109.3
5	I	44.4	Very low	40	Very low	153 Å²	153	158.7 Å²	158.7	79%	0.785	81%	0.814	S	S	*	*			trans	-138.1	111.3	152.2	-59.4	-178.6	0	0	0	107.1
6	R	44.1	Very low	39.9	Very low	215 Å²	215	155.4 Å²	155.4	81%	0.811	80%	0.803	S	S	*	*			trans	-84.1	168.4	172.1	-101	-177.3	178.2	170.3	0.4	110.2
7	P	48.1	Very low	39.6	Very low	105 Å²	105	153.3 Å²	153.3	68%	0.682	80%	0.799	S	S	*	*			trans	-89.1	154.7	-143.9	36.9	-34.9	0	0	0	113.3
8	L	37.2	Very low	39.3	Very low	167 Å²	167	155.7 Å²	155.7	87%	0.874	80%	0.797	S	S	*	*			trans	-113.7	90	166.4	-124.4	151	0	0	0	108.1	M10	L8-M10 PolarHBondContact O-N 3.45Å
9	L	39.1	Very low	39.1	Very low	145 Å²	145	151.6 Å²	151.6	76%	0.759	79%	0.79	S	S	*	*			trans	-61.9	108.7	161.3	-96.8	134.3	0	0	0	107.5	C11	L9-C11 PolarHBondContact O-N 2.81Å; L9-C11 VanDerWaalsContact O-N 3.16Å
10	M	37.7	Very low	39.1	Very low	168 Å²	168	150.2 Å²	150.2	83%	0.828	79%	0.788	S	S	*	*			trans	-74.7	95.5	162.8	-87	-168.2	-173.9	0	0	108.3	L8 F12	L8-M10 PolarHBondContact O-N 3.45Å; M10-F12 PolarHBondContact O-N 2.82Å
11	C	37	Very low	39.4	Very low	111 Å²	111	147.6 Å²	147.6	75%	0.75	78%	0.782	S	S	*	*			trans	-72.1	106.7	160	-68.2	0	0	0	0	108	L9 A13	L9-C11 PolarHBondContact O-N 2.81Å; L9-C11 VanDerWaalsContact O-N 3.16Å; C11-A13 VanDerWaalsContact C-N 3.27Å; C11-A13 PolarHBondContact O-N 3.19Å
12	F	39.4	Very low	39.5	Very low	193 Å²	193	145 Å²	145	85%	0.846	77%	0.765	S	S	*	*			trans	-68.8	90.1	162.6	-112.8	-93.6	0	0	0	107.5	M10 L14	M10-F12 PolarHBondContact O-N 2.82Å; F12-L14 PolarHBondContact O-N 3.35Å
13	A	39.9	Very low	40.3	Very low	79 Å²	79	141 Å²	141	65%	0.653	76%	0.759	S	S	*	*			trans	-74.7	104.8	165.5	0	0	0	0	0	107.5	C11 C15	C11-A13 VanDerWaalsContact C-N 3.27Å; C11-A13 PolarHBondContact O-N 3.19Å; A13-C15 VanDerWaalsContact C-N 3.25Å; A13-C15 PolarHBondContact O-N 3.5Å
14	L	37.9	Very low	41	Very low	158 Å²	158	135 Å²	135	83%	0.827	73%	0.732	S	S	*	*			trans	-62.3	91.2	161.3	-99.1	149.1	0	0	0	107.4	F12 V16	F12-L14 PolarHBondContact O-N 3.35Å; L14-V16 VanDerWaalsContact C-N 3.27Å; L14-V16 PolarHBondContact O-N 2.94Å
15	C	33.3	Very low	41.8	Very low	105 Å²	105	135.8 Å²	135.8	71%	0.709	74%	0.736	S	S	*	*			trans	-69.7	91	162.8	-70.8	0	0	0	0	107.4	A13 V17	A13-C15 VanDerWaalsContact C-N 3.25Å; A13-C15 PolarHBondContact O-N 3.5Å; C15-V17 PolarHBondContact O-N 2.79Å
16	V	37	Very low	42.8	Very low	106 Å²	106	133 Å²	133	64%	0.642	72%	0.718	S	S	*	*			trans	-67.1	93.2	157.1	-179.9	0	0	0	0	105.4	L14 Y18	L14-V16 VanDerWaalsContact C-N 3.27Å; L14-V16 PolarHBondContact O-N 2.94Å; V16-Y18 VanDerWaalsContact C-N 3.27Å; V16-Y18 HydrophobicContact CG1-CD2 3.66Å; V16-Y18 HydrophobicContact CG1-CE2 3.82Å; V16-Y18 PolarHBondContact O-N 3.18Å
17	V	35.7	Very low	44	Very low	120 Å²	120	128.3 Å²	128.3	73%	0.727	70%	0.703	S	S	*	*			trans	-69.7	95.6	164.2	178.3	0	0	0	0	104.8	C15 A19	C15-V17 PolarHBondContact O-N 2.79Å; V17-A19 PolarHBondContact O-N 3.14Å
18	Y	33.4	Very low	45.2	Very low	196 Å²	196	128.2 Å²	128.2	77%	0.769	70%	0.697	S	S	*	*			trans	-63.9	91.7	155.2	-95.1	-92.3	0	0	0	105.4	V16 T20	V16-Y18 VanDerWaalsContact C-N 3.27Å; V16-Y18 HydrophobicContact CG1-CD2 3.66Å; V16-Y18 HydrophobicContact CG1-CE2 3.82Å; V16-Y18 PolarHBondContact O-N 3.18Å; Y18-T20 PolarHBondContact O-N 3.06Å
19	A	37	Very low	47	Very low	79 Å²	79	123.3 Å²	123.3	65%	0.653	67%	0.667	S	S	*	*			trans	-66.5	92	157.7	0	0	0	0	0	104.9	V17 S21	V17-A19 PolarHBondContact O-N 3.14Å; A19-S21 PolarHBondContact O-N 3.48Å
20	T	37.7	Very low	48.7	Very low	123 Å²	123	118 Å²	118	76%	0.755	64%	0.64	S	S	*	*			trans	-69.3	85.8	160.2	52.2	0	0	0	0	105.1	Y18 K22	Y18-T20 PolarHBondContact O-N 3.06Å; T20-K22 PolarHBondContact O-N 2.74Å
21	S	45.4	Very low	50.3	Low	96 Å²	96	113.3 Å²	113.3	67%	0.671	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-52.8	130.7	160	37.4	0	0	0	0	106.1	A19	A19-S21 PolarHBondContact O-N 3.48Å
22	K	43.3	Very low	51.7	Low	188 Å²	188	113.1 Å²	113.1	82%	0.817	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-57.7	132.3	168.4	-71.8	-175.2	174.7	-173.7	0	106.2	T20 T24	T20-K22 PolarHBondContact O-N 2.74Å; K22-T24 PolarHBondContact O-N 3.24Å
23	P	56.2	Low	52.8	Low	118 Å²	118	107 Å²	107	77%	0.766	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-57.1	129.4	172.3	22.8	-29.7	0	0	0	107.9	E25	P23-E25 PolarHBondContact O-N 3.16Å
24	T	54.1	Low	54	Low	45 Å²	45	104.7 Å²	104.7	28%	0.276	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-58.8	126.2	175.8	-36.6	0	0	0	0	108.3	K22 K26 Y220 E225	K22-T24 PolarHBondContact O-N 3.24Å; T24-K26 PolarHBondContact O-N 3.25Å; T24-Y220 HydrophobicContact CG2-CD2 3.97Å; T24-Y220 HydrophobicContact CG2-CE2 4.16Å; T24-E225 PolarHBondContact OG1-OE1 2.92Å
25	E	59.9	Low	55.4	Low	181 Å²	181	101.5 Å²	101.5	85%	0.846	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-69.9	120.4	177.7	-72.2	-178.9	177.7	0	0	109.1	P23	P23-E25 PolarHBondContact O-N 3.16Å
26	K	65.4	Low	57.4	Low	95 Å²	95	97.2 Å²	97.2	41%	0.413	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-77.6	127.2	174.5	178.8	-177.7	175.5	-173.4	0	108.8	T24 M219 W231 E235	T24-K26 PolarHBondContact O-N 3.25Å; K26-M219 VanDerWaalsContact CE-SD 3.53Å; K26-M219 HydrophobicContact CG-SD 4.38Å; K26-W231 HydrophobicContact CB-CH2 4.35Å; K26-W231 HydrophobicContact CB-CZ3 4.49Å; K26-W231 HydrophobicContact CD-CE3 4.35Å; K26-W231 HydrophobicContact CD-CZ3 4.2Å; K26-W231 HydrophobicContact CG-CH2 4.25Å; K26-W231 HydrophobicContact CG-CZ3 4.04Å; K26-E235 VanDerWaalsContact NZ-CD 3.27Å; K26-E235 IonicContact NZ-OE1 3.78Å; K26-E235 PolarHBondContact NZ-OE1 3.27Å; K26-E235 IonicContact NZ-OE2 3.19Å
27	K	70.2	Confident	59.3	Low	117 Å²	117	92.7 Å²	92.7	51%	0.509	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-73.9	138.2	168	-62.8	-168.1	-162	148.6	0	110.4	D218	K27-D218 WeakPolarHBondContact CD-O 3.33Å; K27-D218 PolarHBondContact NZ-O 3.11Å
28	D	71.5	Confident	61.1	Low	103 Å²	103	91.4 Å²	91.4	55%	0.551	49%	0.489	S	S	*	.			trans	-114.2	135.8	175.6	-157.4	-12.9	0	0	0	110.5	V30	D28-V30 WeakPolarHBondContact OD1-CB 3.46Å; D28-V30 WeakPolarHBondContact OD1-CG2 3.43Å; D28-V30 PolarHBondContact OD1-N 2.77Å
29	R	75.9	Confident	63.3	Low	64 Å²	64	86.4 Å²	86.4	24%	0.242	47%	0.472	C	S	.	.			trans	-118.7	-2.5	180	-64.3	-69.1	-170	159	4.5	111.6	H31 D201 D218 W259 I260	R29-H31 PolarHBondContact O-CD2 2.82Å; R29-H31 PolarHBondContact O-N 3.35Å; R29-H31 VanDerWaalsContact O-N 3.16Å; R29-D201 IonicContact NH1-OD2 3.78Å; R29-D218 WeakPolarHBondContact CG-OD2 3.01Å; R29-D218 IonicContact CZ-OD1 3.19Å; R29-D218 IonicContact CZ-OD2 2.77Å; R29-D218 IonicContact NE-OD1 3.19Å; R29-D218 IonicContact NE-OD2 2.63Å; R29-D218 PolarHBondContact NE-OD2 3.46Å; R29-D218 IonicContact NH2-OD1 3.28Å; R29-D218 PolarHBondContact NH2-OD1 2.92Å; R29-D218 IonicContact NH2-OD2 3.47Å; R29-W259 HydrophobicContact CB-CH2 3.98Å; R29-W259 HydrophobicContact CB-CZ2 3.89Å; R29-W259 HydrophobicContact CG-CH2 4.13Å; R29-W259 HydrophobicContact CG-CZ2 4.34Å; R29-I260 HydrophobicContact CB-CG2 4.44Å
30	V	75.2	Confident	65	Low	32 Å²	32	90.8 Å²	90.8	19%	0.194	48%	0.479	C	S	.	.			trans	-72.4	110.3	178	-174.9	0	0	0	0	107.8	D28 H32 P262	D28-V30 WeakPolarHBondContact OD1-CB 3.46Å; D28-V30 WeakPolarHBondContact OD1-CG2 3.43Å; D28-V30 PolarHBondContact OD1-N 2.77Å; V30-H32 VanDerWaalsContact CG1-CE1 3.5Å; V30-H32 WeakPolarHBondContact CG1-CE1 3.44Å; V30-H32 PolarHBondContact O-N 2.83Å; V30-H32 VanDerWaalsContact O-N 3.12Å; V30-P262 HydrophobicContact CG1-CG 3.72Å
31	H	71.2	Confident	66.6	Low	71 Å²	71	88.9 Å²	88.9	33%	0.329	46%	0.461	S	S	.	.			trans	-77	95.7	167.5	-64.2	-85.9	0	0	0	107.3	R29 I260 L261	R29-H31 PolarHBondContact O-CD2 2.82Å; R29-H31 PolarHBondContact O-N 3.35Å; R29-H31 VanDerWaalsContact O-N 3.16Å; H31-I260 WeakPolarHBondContact CA-O 3.43Å; H31-I260 VanDerWaalsContact CB-O 3.29Å; H31-I260 WeakPolarHBondContact CB-O 3.32Å; H31-I260 PolarHBondContact N-O 3.26Å; H31-L261 HydrophobicContact CB-CD2 3.88Å
32	H	66.1	Low	67.8	Low	107 Å²	107	87.3 Å²	87.3	50%	0.495	45%	0.445	S	S	.	.			trans	-68.9	149.1	159.6	-62.4	-68.5	0	0	0	108.8	V30 A34	V30-H32 VanDerWaalsContact CG1-CE1 3.5Å; V30-H32 WeakPolarHBondContact CG1-CE1 3.44Å; V30-H32 PolarHBondContact O-N 2.83Å; V30-H32 VanDerWaalsContact O-N 3.12Å; H32-A34 PolarHBondContact O-N 2.83Å
33	D	63.3	Low	68.7	Low	63 Å²	63	83.4 Å²	83.4	34%	0.337	43%	0.433	S	S	.	.			trans	-42.7	133	163.3	-89.3	7.6	0	0	0	108	H267	D33-H267 PolarHBondContact O-CD2 3.1Å
34	A	64.6	Low	68.9	Low	32 Å²	32	80.2 Å²	80.2	26%	0.264	42%	0.422	S	S	.	.			trans	-52	131.6	-176.1	0	0	0	0	0	109.5	H32 L36 Q103	H32-A34 PolarHBondContact O-N 2.83Å; A34-L36 PolarHBondContact O-N 2.71Å; A34-Q103 PolarHBondContact O-NE2 2.78Å
35	P	66.9	Low	69.1	Low	90 Å²	90	82.9 Å²	82.9	58%	0.584	44%	0.438	S	S	*	.			trans	-57.7	139.2	-175.9	26.4	-35.3	0	0	0	109.1	S37	P35-S37 WeakPolarHBondContact CB-O 3.3Å; P35-S37 PolarHBondContact O-N 2.81Å; P35-S37 VanDerWaalsContact O-N 3.16Å
36	L	75.9	Confident	69.4	Low	16 Å²	16	76 Å²	76	8%	0.084	41%	0.407	C	S	.	.	S	Bend	trans	-68.4	-16.1	-174.8	-59.1	174.3	0	0	0	112.1	A34 Y49 A53 I99 Q103 H267 E271	A34-L36 PolarHBondContact O-N 2.71Å; L36-Y49 HydrophobicContact CB-CE1 4.09Å; L36-Y49 HydrophobicContact CD1-CE1 4.34Å; L36-Y49 PolarHBondContact N-OH 3.15Å; L36-A53 HydrophobicContact CB-CB 3.5Å; L36-A53 HydrophobicContact CD1-CB 3.82Å; L36-A53 HydrophobicContact CG-CB 4.28Å; L36-I99 HydrophobicContact CD1-CG2 3.74Å; L36-I99 HydrophobicContact CD2-CG2 3.84Å; L36-I99 HydrophobicContact CG-CG2 4.4Å; L36-Q103 HydrophobicContact CD2-CB 4.26Å; L36-Q103 HydrophobicContact CD2-CG 4.19Å; L36-H267 HydrophobicContact CD1-CB 3.96Å; L36-H267 HydrophobicContact CD2-CB 4.46Å; L36-H267 HydrophobicContact CG-CB 3.99Å; L36-E271 HydrophobicContact CD1-CB 3.94Å; L36-E271 HydrophobicContact CD1-CG 4.31Å
37	S	76.7	Confident	69.8	Low	10 Å²	10	74.6 Å²	74.6	7%	0.07	40%	0.401	C	S	.	.			trans	-145.7	157.1	175.6	176.1	0	0	0	0	110.5	P35 K39 D52	P35-S37 WeakPolarHBondContact CB-O 3.3Å; P35-S37 PolarHBondContact O-N 2.81Å; P35-S37 VanDerWaalsContact O-N 3.16Å; S37-K39 PolarHBondContact O-N 3.18Å; S37-K39 WeakPolarHBondContact OG-CB 3.42Å; S37-K39 WeakPolarHBondContact OG-CG 3.29Å; S37-K39 PolarHBondContact OG-N 3.24Å; S37-D52 VanDerWaalsContact CB-CB 3.41Å; S37-D52 WeakPolarHBondContact OG-CB 3.33Å; S37-D52 PolarHBondContact OG-OD2 3.09Å
38	S	72.6	Confident	70.1	Confident	93 Å²	93	71.6 Å²	71.6	65%	0.65	39%	0.389	S	S	*	.	S	Bend	trans	-78.6	-3.7	168.1	63.1	0	0	0	0	113.6
39	K	79.7	Confident	70.6	Confident	91 Å²	91	67.4 Å²	67.4	40%	0.396	37%	0.365	S	S	.	.	S	Bend	trans	-88	161.4	-179	-55.5	-56.8	-173.9	111.4	0	111.8	S37 E48 Y49	S37-K39 PolarHBondContact O-N 3.18Å; S37-K39 WeakPolarHBondContact OG-CB 3.42Å; S37-K39 WeakPolarHBondContact OG-CG 3.29Å; S37-K39 PolarHBondContact OG-N 3.24Å; K39-E48 HydrophobicContact CG-CB 4.17Å; K39-E48 IonicContact NZ-OE2 3.85Å; K39-E48 PolarHBondContact NZ-OE2 2.86Å; K39-Y49 WeakPolarHBondContact O-CD2 3.13Å
40	E	73.7	Confident	70.7	Confident	172 Å²	172	64.3 Å²	64.3	80%	0.804	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-72.3	135.2	169.9	-71.8	-173.9	169	0	0	110
41	H	71	Confident	71	Confident	83 Å²	83	63 Å²	63	38%	0.384	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-78.7	119.5	174.2	-168.9	-125.5	0	0	0	109.6	D43 Y49 D50 E271	H41-D43 IonicContact CE1-OD1 3.57Å; H41-D43 PolarHBondContact CE1-OD1 3.17Å; H41-D43 IonicContact ND1-OD1 2.69Å; H41-D43 IonicContact NE2-OD1 2.65Å; H41-Y49 HydrophobicContact CB-CD1 4.31Å; H41-Y49 HydrophobicContact CB-CD2 3.85Å; H41-Y49 HydrophobicContact CB-CE2 4.15Å; H41-Y49 HydrophobicContact CB-CG 3.96Å; H41-Y49 AromaticContact CD2-CD1 3.12Å; H41-Y49 WeakPolarHBondContact CD2-CD1 3.25Å; H41-Y49 AromaticContact CD2-CE1 3.61Å; H41-Y49 AromaticContact CD2-CG 3.46Å; H41-Y49 VanDerWaalsContact CD2-CG 3.46Å; H41-Y49 AromaticContact CG-CD1 3.95Å; H41-Y49 AromaticContact NE2-CD1 3.86Å; H41-D50 IonicContact CD2-OD1 3.35Å; H41-D50 IonicContact NE2-OD1 3.21Å; H41-D50 PolarHBondContact NE2-OD1 2.92Å; H41-E271 IonicContact NE2-OE2 3.43Å; H41-E271 PolarHBondContact NE2-OE2 3.34Å
42	D	70.4	Confident	71.6	Confident	63 Å²	63	60.4 Å²	60.4	34%	0.337	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-135	103	176.3	166.7	37.8	0	0	0	110.2	G44 T45 N46	D42-G44 PolarHBondContact O-N 3.01Å; D42-G44 PolarHBondContact OD1-N 2.84Å; D42-T45 PolarHBondContact OD2-N 3.26Å; D42-T45 VanDerWaalsContact OD2-N 3.11Å; D42-T45 PolarHBondContact OD2-OG1 3.09Å; D42-N46 HydrophobicContact CB-CB 4.11Å; D42-N46 PolarHBondContact OD2-N 3.46Å
43	D	62.7	Low	72.2	Confident	105 Å²	105	55.4 Å²	55.4	56%	0.561	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-10.1	177.9	-57.7	-27.9	0	0	0	114.2	H41	H41-D43 IonicContact CE1-OD1 3.57Å; H41-D43 PolarHBondContact CE1-OD1 3.17Å; H41-D43 IonicContact ND1-OD1 2.69Å; H41-D43 IonicContact NE2-OD1 2.65Å
44	G	59.9	Low	73.2	Confident	52 Å²	52	52.4 Å²	52.4	54%	0.536	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-54.8	-172	0	0	0	0	0	114.9	D42	D42-G44 PolarHBondContact O-N 3.01Å; D42-G44 PolarHBondContact OD1-N 2.84Å
45	T	59	Low	74	Confident	100 Å²	100	51.3 Å²	51.3	61%	0.613	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.6	-12.6	-165.2	56.8	0	0	0	0	115.5	D42 Q303	D42-T45 PolarHBondContact OD2-N 3.26Å; D42-T45 VanDerWaalsContact OD2-N 3.11Å; D42-T45 PolarHBondContact OD2-OG1 3.09Å; T45-Q303 PolarHBondContact O-NE2 2.98Å
46	N	65.3	Low	74.6	Confident	36 Å²	36	47.5 Å²	47.5	19%	0.193	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-117.1	97.1	-176	-173.5	11	0	0	0	111.8	D42 E48	D42-N46 HydrophobicContact CB-CB 4.11Å; D42-N46 PolarHBondContact OD2-N 3.46Å; N46-E48 PolarHBondContact O-N 3.33Å; N46-E48 VanDerWaalsContact OD1-CB 3.25Å; N46-E48 WeakPolarHBondContact OD1-CB 3.13Å; N46-E48 WeakPolarHBondContact OD1-CG 3.39Å; N46-E48 PolarHBondContact OD1-N 3.23Å; N46-E48 VanDerWaalsContact OD1-N 3.13Å
47	F	74.3	Confident	74.5	Confident	67 Å²	67	48.7 Å²	48.7	29%	0.294	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	7.4	178.2	-50.1	-60.4	0	0	0	113.5	Y49 D50 H51 L298	F47-Y49 VanDerWaalsContact C-N 3.27Å; F47-Y49 PolarHBondContact O-N 2.85Å; F47-D50 PolarHBondContact O-N 2.92Å; F47-H51 WeakPolarHBondContact O-CB 3.06Å; F47-H51 PolarHBondContact O-N 2.64Å; F47-L298 HydrophobicContact CB-CD1 4.46Å; F47-L298 HydrophobicContact CD1-CD1 3.31Å; F47-L298 HydrophobicContact CE1-CD1 3.7Å; F47-L298 HydrophobicContact CG-CD1 4.01Å
48	E	75.8	Confident	74.4	Confident	53 Å²	53	52 Å²	52	25%	0.248	28%	0.282	C	S	.	.	H	α-helix	trans	-61.6	-36.8	178.9	-73.6	-178	-177.3	0	0	112	K39 N46 D52	K39-E48 HydrophobicContact CG-CB 4.17Å; K39-E48 IonicContact NZ-OE2 3.85Å; K39-E48 PolarHBondContact NZ-OE2 2.86Å; N46-E48 PolarHBondContact O-N 3.33Å; N46-E48 VanDerWaalsContact OD1-CB 3.25Å; N46-E48 WeakPolarHBondContact OD1-CB 3.13Å; N46-E48 WeakPolarHBondContact OD1-CG 3.39Å; N46-E48 PolarHBondContact OD1-N 3.23Å; N46-E48 VanDerWaalsContact OD1-N 3.13Å; E48-D52 WeakPolarHBondContact O-CB 3.45Å; E48-D52 PolarHBondContact O-N 2.85Å
49	Y	81.6	Confident	74.6	Confident	15 Å²	15	50.2 Å²	50.2	6%	0.059	26%	0.263	C	S	.	.	H	α-helix	trans	-64.9	-50.1	175.7	-175.8	-78.6	0	0	0	110.9	L36 K39 H41 F47 H51 D52 A53	L36-Y49 HydrophobicContact CB-CE1 4.09Å; L36-Y49 HydrophobicContact CD1-CE1 4.34Å; L36-Y49 PolarHBondContact N-OH 3.15Å; K39-Y49 WeakPolarHBondContact O-CD2 3.13Å; H41-Y49 HydrophobicContact CB-CD1 4.31Å; H41-Y49 HydrophobicContact CB-CD2 3.85Å; H41-Y49 HydrophobicContact CB-CE2 4.15Å; H41-Y49 HydrophobicContact CB-CG 3.96Å; H41-Y49 AromaticContact CD2-CD1 3.12Å; H41-Y49 WeakPolarHBondContact CD2-CD1 3.25Å; H41-Y49 AromaticContact CD2-CE1 3.61Å; H41-Y49 AromaticContact CD2-CG 3.46Å; H41-Y49 VanDerWaalsContact CD2-CG 3.46Å; H41-Y49 AromaticContact CG-CD1 3.95Å; H41-Y49 AromaticContact NE2-CD1 3.86Å; F47-Y49 VanDerWaalsContact C-N 3.27Å; F47-Y49 PolarHBondContact O-N 2.85Å; Y49-H51 VanDerWaalsContact C-N 3.28Å; Y49-H51 PolarHBondContact O-N 3.26Å; Y49-D52 PolarHBondContact O-N 3.37Å; Y49-A53 HydrophobicContact CD1-CB 4.41Å; Y49-A53 HydrophobicContact CE1-CB 4.3Å; Y49-A53 VanDerWaalsContact O-CB 3.25Å; Y49-A53 WeakPolarHBondContact O-CB 3.37Å; Y49-A53 PolarHBondContact O-N 3.37Å
50	D	79.4	Confident	74.6	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.7	-38	-178.3	-49.6	-25.1	0	0	0	111.1	H41 F47 A53 F54 E271 H274 L275 L298	H41-D50 IonicContact CD2-OD1 3.35Å; H41-D50 IonicContact NE2-OD1 3.21Å; H41-D50 PolarHBondContact NE2-OD1 2.92Å; F47-D50 PolarHBondContact O-N 2.92Å; D50-A53 PolarHBondContact O-N 3Å; D50-F54 WeakPolarHBondContact O-CB 3.41Å; D50-F54 PolarHBondContact O-N 2.96Å; D50-E271 VanDerWaalsContact CG-OE1 3.3Å; D50-H274 IonicContact OD1-ND1 3.58Å; D50-H274 IonicContact OD2-CE1 3.92Å; D50-H274 PolarHBondContact OD2-CE1 2.93Å; D50-H274 IonicContact OD2-ND1 3.34Å; D50-L275 HydrophobicContact CB-CD2 4.24Å; D50-L298 HydrophobicContact CB-CD1 4.48Å
51	H	81.9	Confident	74.8	Confident	4 Å²	4	42.3 Å²	42.3	2%	0.019	23%	0.226	C	C	.	.	H	α-helix	trans	-62	-51.4	174.2	175.9	-158.4	0	0	0	112	F47 Y49 A53 F54 L55 D64 F299 V300	F47-H51 WeakPolarHBondContact O-CB 3.06Å; F47-H51 PolarHBondContact O-N 2.64Å; Y49-H51 VanDerWaalsContact C-N 3.28Å; Y49-H51 PolarHBondContact O-N 3.26Å; H51-A53 VanDerWaalsContact C-N 3.33Å; H51-A53 PolarHBondContact O-N 3.45Å; H51-F54 PolarHBondContact O-N 3.18Å; H51-L55 VanDerWaalsContact CD2-CD1 3.41Å; H51-L55 WeakPolarHBondContact CD2-CD1 3.18Å; H51-L55 WeakPolarHBondContact NE2-CD1 3.28Å; H51-L55 WeakPolarHBondContact O-CB 3.36Å; H51-L55 PolarHBondContact O-N 3.4Å; H51-D64 IonicContact CE1-OD1 2.81Å; H51-F299 PolarHBondContact CD2-O 3.26Å; H51-V300 VanDerWaalsContact CD2-CA 3.49Å; H51-V300 WeakPolarHBondContact CD2-CA 3.48Å
52	D	82.1	Confident	75.2	Confident	16 Å²	16	41.1 Å²	41.1	9%	0.086	22%	0.224	C	C	.	.	H	α-helix	trans	-63.3	-40.3	177	-83.2	-4	0	0	0	111.3	S37 E48 Y49 F54 G56 A60	S37-D52 VanDerWaalsContact CB-CB 3.41Å; S37-D52 WeakPolarHBondContact OG-CB 3.33Å; S37-D52 PolarHBondContact OG-OD2 3.09Å; E48-D52 WeakPolarHBondContact O-CB 3.45Å; E48-D52 PolarHBondContact O-N 2.85Å; Y49-D52 PolarHBondContact O-N 3.37Å; D52-F54 VanDerWaalsContact C-N 3.34Å; D52-F54 PolarHBondContact O-N 3.17Å; D52-G56 CarbonylContact O-C 3.25Å; D52-G56 WeakPolarHBondContact O-CA 3.49Å; D52-G56 PolarHBondContact O-N 3.42Å; D52-A60 WeakPolarHBondContact OD1-CB 3.4Å
53	A	80.4	Confident	75.6	Confident	2 Å²	2	38.2 Å²	38.2	2%	0.017	21%	0.209	C	C	.	.	H	α-helix	trans	-63.5	-40.8	176.9	0	0	0	0	0	112	L36 Y49 D50 H51 E271	L36-A53 HydrophobicContact CB-CB 3.5Å; L36-A53 HydrophobicContact CD1-CB 3.82Å; L36-A53 HydrophobicContact CG-CB 4.28Å; Y49-A53 HydrophobicContact CD1-CB 4.41Å; Y49-A53 HydrophobicContact CE1-CB 4.3Å; Y49-A53 VanDerWaalsContact O-CB 3.25Å; Y49-A53 WeakPolarHBondContact O-CB 3.37Å; Y49-A53 PolarHBondContact O-N 3.37Å; D50-A53 PolarHBondContact O-N 3Å; H51-A53 VanDerWaalsContact C-N 3.33Å; H51-A53 PolarHBondContact O-N 3.45Å; A53-E271 HydrophobicContact CB-CG 3.98Å
54	F	83.9	Confident	76.1	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-74.7	-39.4	-178.9	-179.2	-103.2	0	0	0	113	D50 H51 D52 L75 I78 I82 L95 W98 L275 F299 V300	D50-F54 WeakPolarHBondContact O-CB 3.41Å; D50-F54 PolarHBondContact O-N 2.96Å; H51-F54 PolarHBondContact O-N 3.18Å; D52-F54 VanDerWaalsContact C-N 3.34Å; D52-F54 PolarHBondContact O-N 3.17Å; F54-L75 HydrophobicContact CE1-CD1 3.57Å; F54-L75 HydrophobicContact CZ-CD1 3.89Å; F54-I78 HydrophobicContact CE1-CG2 3.87Å; F54-I78 HydrophobicContact CZ-CG2 3.75Å; F54-I82 HydrophobicContact CE2-CD1 3.43Å; F54-I82 VanDerWaalsContact CE2-CD1 3.43Å; F54-I82 HydrophobicContact CZ-CD1 3.47Å; F54-I82 VanDerWaalsContact CZ-CD1 3.47Å; F54-L95 HydrophobicContact CD2-CD1 3.82Å; F54-L95 HydrophobicContact CE2-CD1 3.56Å; F54-W98 AromaticContact CD2-CD1 3.97Å; F54-W98 AromaticContact CE2-CD1 3.92Å; F54-W98 PolarHBondContact O-NE1 2.9Å; F54-L275 HydrophobicContact CD2-CD1 4.21Å; F54-F299 HydrophobicContact CD1-CB 4.07Å; F54-F299 HydrophobicContact CD1-CD1 4.17Å; F54-F299 WeakPolarHBondContact CD1-O 3.34Å; F54-F299 AromaticContact CD2-CD1 3.77Å; F54-F299 HydrophobicContact CD2-CD1 3.77Å; F54-F299 HydrophobicContact CD2-CE1 4.33Å; F54-F299 HydrophobicContact CE1-CB 4.14Å; F54-F299 HydrophobicContact CE1-CD1 4.12Å; F54-F299 AromaticContact CE2-CD1 3.67Å; F54-F299 HydrophobicContact CE2-CD1 3.67Å; F54-F299 HydrophobicContact CE2-CE1 4.12Å; F54-F299 HydrophobicContact CG-CD1 4.01Å; F54-F299 AromaticContact CZ-CD1 3.86Å; F54-F299 HydrophobicContact CZ-CD1 3.86Å; F54-V300 HydrophobicContact CD1-CG1 4.46Å; F54-V300 HydrophobicContact CE1-CG1 4.43Å
55	L	81.5	Confident	76.8	Confident	10 Å²	10	40.6 Å²	40.6	5%	0.052	21%	0.209	C	C	.	.	H	α-helix	trans	-100.6	-27	-174.8	-68.3	-169.7	0	0	0	114.5	H51 E59 A60 F63 I78 V300	H51-L55 VanDerWaalsContact CD2-CD1 3.41Å; H51-L55 WeakPolarHBondContact CD2-CD1 3.18Å; H51-L55 WeakPolarHBondContact NE2-CD1 3.28Å; H51-L55 WeakPolarHBondContact O-CB 3.36Å; H51-L55 PolarHBondContact O-N 3.4Å; L55-E59 HydrophobicContact CB-CB 4.12Å; L55-E59 HydrophobicContact CB-CG 4.44Å; L55-E59 WeakPolarHBondContact O-CB 3.43Å; L55-A60 HydrophobicContact CB-CB 4.29Å; L55-A60 HydrophobicContact CD1-CB 4.45Å; L55-F63 HydrophobicContact CD1-CB 4.41Å; L55-F63 HydrophobicContact CD1-CD2 3.33Å; L55-F63 HydrophobicContact CD1-CE2 3.48Å; L55-F63 VanDerWaalsContact CD1-CE2 3.48Å; L55-F63 HydrophobicContact CD1-CG 3.86Å; L55-F63 HydrophobicContact CD1-CZ 4.12Å; L55-F63 HydrophobicContact CD2-CE2 4.14Å; L55-F63 HydrophobicContact CD2-CZ 4.37Å; L55-F63 HydrophobicContact CG-CE2 4.5Å; L55-I78 HydrophobicContact CD2-CD1 3.45Å; L55-I78 VanDerWaalsContact CD2-CD1 3.45Å; L55-V300 HydrophobicContact CD1-CB 4.35Å; L55-V300 HydrophobicContact CD1-CG1 3.88Å; L55-V300 HydrophobicContact CD2-CG1 4.08Å; L55-V300 HydrophobicContact CG-CG1 4.19Å
56	G	79.3	Confident	77.8	Confident	10 Å²	10	37.8 Å²	37.8	10%	0.103	19%	0.19	C	C	.	.			trans	81.4	145.3	-159.6	0	0	0	0	0	111.7	D52 E58 E59 A60	D52-G56 CarbonylContact O-C 3.25Å; D52-G56 WeakPolarHBondContact O-CA 3.49Å; D52-G56 PolarHBondContact O-N 3.42Å; G56-E58 VanDerWaalsContact C-N 3.3Å; G56-E58 PolarHBondContact O-N 3.03Å; G56-E58 VanDerWaalsContact O-N 3.11Å; G56-E59 PolarHBondContact O-N 2.86Å; G56-A60 WeakPolarHBondContact O-CB 3.15Å; G56-A60 PolarHBondContact O-N 2.88Å
57	E	74.1	Confident	78.6	Confident	41 Å²	41	39.4 Å²	39.4	19%	0.192	20%	0.202	C	C	.	.	H	α-helix	trans	-51.4	-40.5	-170.8	-160.8	-163.5	146.8	0	0	114.4	K61 Y106	E57-K61 WeakPolarHBondContact O-CG 3.25Å; E57-K61 PolarHBondContact O-N 3.2Å; E57-K61 WeakPolarHBondContact OE1-CE 3.4Å; E57-K61 IonicContact OE1-NZ 3.56Å; E57-K61 PolarHBondContact OE1-NZ 3.44Å; E57-Y106 HydrophobicContact CB-CD2 3.99Å; E57-Y106 HydrophobicContact CB-CE2 3.72Å; E57-Y106 HydrophobicContact CG-CE2 4.48Å; E57-Y106 WeakPolarHBondContact OE2-CE2 3.44Å; E57-Y106 VanDerWaalsContact OE2-CZ 3.22Å; E57-Y106 PolarHBondContact OE2-OH 3.35Å
58	E	74.1	Confident	79	Confident	79 Å²	79	39 Å²	39	37%	0.369	21%	0.206	S	C	.	.	H	α-helix	trans	-72.7	-41.3	-179.3	-66.5	-69.3	164.9	0	0	112.1	G56 R113	G56-E58 VanDerWaalsContact C-N 3.3Å; G56-E58 PolarHBondContact O-N 3.03Å; G56-E58 VanDerWaalsContact O-N 3.11Å; E58-R113 IonicContact OE1-CZ 2.68Å; E58-R113 IonicContact OE1-NH1 3.32Å; E58-R113 PolarHBondContact OE1-NH1 2.92Å
59	E	76.6	Confident	79.4	Confident	55 Å²	55	44.4 Å²	44.4	26%	0.257	23%	0.231	S	C	.	.	H	α-helix	trans	-72.2	-37.6	-179.7	-163.9	99.8	-165.6	0	0	109.4	L55 G56 K61 T62 F63 R74 K105	L55-E59 HydrophobicContact CB-CB 4.12Å; L55-E59 HydrophobicContact CB-CG 4.44Å; L55-E59 WeakPolarHBondContact O-CB 3.43Å; G56-E59 PolarHBondContact O-N 2.86Å; E59-K61 PolarHBondContact O-N 3.07Å; E59-T62 WeakPolarHBondContact O-CA 3.47Å; E59-T62 WeakPolarHBondContact O-CB 3.45Å; E59-T62 PolarHBondContact O-N 3.37Å; E59-T62 PolarHBondContact O-OG1 3.33Å; E59-F63 HydrophobicContact CG-CE2 4.21Å; E59-F63 WeakPolarHBondContact O-CD2 3.28Å; E59-F63 PolarHBondContact O-N 3.01Å; E59-R74 IonicContact OE1-CZ 2.65Å; E59-R74 IonicContact OE1-NE 3.71Å; E59-R74 IonicContact OE1-NH2 3.42Å; E59-R74 PolarHBondContact OE1-NH2 3.13Å; E59-K105 IonicContact OE2-NZ 2.67Å; E59-K105 PolarHBondContact OE2-NZ 3.32Å
60	A	79.5	Confident	79.5	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.008	25%	0.251	C	S	.	.	H	α-helix	trans	-54.4	-48.2	172.7	0	0	0	0	0	112.9	D52 L55 G56 T62 F63 D64	D52-A60 WeakPolarHBondContact OD1-CB 3.4Å; L55-A60 HydrophobicContact CB-CB 4.29Å; L55-A60 HydrophobicContact CD1-CB 4.45Å; G56-A60 WeakPolarHBondContact O-CB 3.15Å; G56-A60 PolarHBondContact O-N 2.88Å; A60-T62 PolarHBondContact O-N 2.9Å; A60-T62 VanDerWaalsContact O-N 3.09Å; A60-F63 PolarHBondContact O-N 3.11Å; A60-D64 PolarHBondContact O-N 2.94Å
61	K	78.8	Confident	79.8	Confident	97 Å²	97	48.8 Å²	48.8	42%	0.422	25%	0.253	S	S	.	.	H	α-helix	trans	-55.8	-30.7	173.9	-72.7	168.9	-170.6	163.7	0	113.3	E57 E59 F63	E57-K61 WeakPolarHBondContact O-CG 3.25Å; E57-K61 PolarHBondContact O-N 3.2Å; E57-K61 WeakPolarHBondContact OE1-CE 3.4Å; E57-K61 IonicContact OE1-NZ 3.56Å; E57-K61 PolarHBondContact OE1-NZ 3.44Å; E59-K61 PolarHBondContact O-N 3.07Å; K61-F63 VanDerWaalsContact C-N 3.29Å; K61-F63 PolarHBondContact O-N 3.38Å
62	T	78.6	Confident	80	Confident	57 Å²	57	52.4 Å²	52.4	35%	0.35	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-13.9	177.9	72.1	0	0	0	0	114	E59 A60 L66 R74	E59-T62 WeakPolarHBondContact O-CA 3.47Å; E59-T62 WeakPolarHBondContact O-CB 3.45Å; E59-T62 PolarHBondContact O-N 3.37Å; E59-T62 PolarHBondContact O-OG1 3.33Å; A60-T62 PolarHBondContact O-N 2.9Å; A60-T62 VanDerWaalsContact O-N 3.09Å; T62-L66 WeakPolarHBondContact O-CG 3.41Å; T62-R74 VanDerWaalsContact OG1-CZ 3.28Å; T62-R74 PolarHBondContact OG1-NH1 3.36Å; T62-R74 PolarHBondContact OG1-NH2 3.12Å
63	F	78.5	Confident	80.2	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.009	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-22.7	174.7	-83.3	-103.7	0	0	0	112.6	L55 E59 A60 K61 D65 L66 R74 I78 V300	L55-F63 HydrophobicContact CD1-CB 4.41Å; L55-F63 HydrophobicContact CD1-CD2 3.33Å; L55-F63 HydrophobicContact CD1-CE2 3.48Å; L55-F63 VanDerWaalsContact CD1-CE2 3.48Å; L55-F63 HydrophobicContact CD1-CG 3.86Å; L55-F63 HydrophobicContact CD1-CZ 4.12Å; L55-F63 HydrophobicContact CD2-CE2 4.14Å; L55-F63 HydrophobicContact CD2-CZ 4.37Å; L55-F63 HydrophobicContact CG-CE2 4.5Å; E59-F63 HydrophobicContact CG-CE2 4.21Å; E59-F63 WeakPolarHBondContact O-CD2 3.28Å; E59-F63 PolarHBondContact O-N 3.01Å; A60-F63 PolarHBondContact O-N 3.11Å; K61-F63 VanDerWaalsContact C-N 3.29Å; K61-F63 PolarHBondContact O-N 3.38Å; F63-D65 PolarHBondContact O-N 3.39Å; F63-L66 HydrophobicContact CD1-CD1 4.13Å; F63-L66 HydrophobicContact CG-CD1 4.27Å; F63-L66 PolarHBondContact O-N 2.91Å; F63-L66 VanDerWaalsContact O-N 3.1Å; F63-R74 HydrophobicContact CE1-CB 3.88Å; F63-R74 HydrophobicContact CE1-CG 4.15Å; F63-R74 HydrophobicContact CE2-CG 4.13Å; F63-R74 HydrophobicContact CZ-CB 3.76Å; F63-R74 VanDerWaalsContact CZ-CD 3.41Å; F63-R74 HydrophobicContact CZ-CG 3.51Å; F63-I78 HydrophobicContact CE2-CD1 4.23Å; F63-I78 HydrophobicContact CZ-CD1 3.82Å; F63-V300 HydrophobicContact CD1-CB 3.53Å; F63-V300 HydrophobicContact CD1-CG1 3.99Å; F63-V300 HydrophobicContact CD1-CG2 3.89Å; F63-V300 HydrophobicContact CE1-CB 3.74Å; F63-V300 HydrophobicContact CE1-CG1 3.7Å; F63-V300 HydrophobicContact CE1-CG2 3.97Å; F63-V300 HydrophobicContact CG-CB 4.17Å; F63-V300 HydrophobicContact CZ-CG1 4.1Å
64	D	73.5	Confident	80.5	Confident	58 Å²	58	59.6 Å²	59.6	31%	0.31	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-30.1	176	-65.5	-14.7	0	0	0	113.1	H51 A60 S302 T305	H51-D64 IonicContact CE1-OD1 2.81Å; A60-D64 PolarHBondContact O-N 2.94Å; D64-S302 WeakPolarHBondContact OD1-CB 3.4Å; D64-T305 WeakPolarHBondContact O-CG2 3.44Å
65	D	75.9	Confident	80.7	Confident	149 Å²	149	59.6 Å²	59.6	80%	0.797	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-2.4	-179.1	-70.9	-35.1	0	0	0	113.8	F63	F63-D65 PolarHBondContact O-N 3.39Å
66	L	79	Confident	81.1	Confident	41 Å²	41	59.3 Å²	59.3	22%	0.215	30%	0.3	C	S	.	.	S	Bend	trans	-92.6	147.4	-173.5	-66	-179.4	0	0	0	112.8	T62 F63 E70 S71	T62-L66 WeakPolarHBondContact O-CG 3.41Å; F63-L66 HydrophobicContact CD1-CD1 4.13Å; F63-L66 HydrophobicContact CG-CD1 4.27Å; F63-L66 PolarHBondContact O-N 2.91Å; F63-L66 VanDerWaalsContact O-N 3.1Å; L66-E70 HydrophobicContact CB-CB 4.21Å; L66-E70 HydrophobicContact CD2-CB 4.29Å; L66-S71 VanDerWaalsContact CB-OG 3.32Å; L66-S71 WeakPolarHBondContact CB-OG 3.36Å
67	T	82.4	Confident	81.7	Confident	70 Å²	70	64.3 Å²	64.3	43%	0.429	32%	0.319	S	S	.	.			trans	-69.7	155.3	169.6	62.4	0	0	0	0	111	E69 E70 S71	T67-E69 PolarHBondContact O-N 2.71Å; T67-E69 VanDerWaalsContact O-N 3.11Å; T67-E70 PolarHBondContact N-OE2 2.66Å; T67-E70 VanDerWaalsContact N-OE2 3.17Å; T67-E70 PolarHBondContact O-N 2.72Å; T67-E70 VanDerWaalsContact OG1-CD 3.3Å; T67-E70 VanDerWaalsContact OG1-CG 3.3Å; T67-E70 WeakPolarHBondContact OG1-CG 3.17Å; T67-E70 PolarHBondContact OG1-N 3.07Å; T67-E70 PolarHBondContact OG1-OE2 2.72Å; T67-S71 PolarHBondContact O-N 3.46Å; T67-S71 PolarHBondContact O-OG 3.34Å
68	P	81.9	Confident	82.4	Confident	58 Å²	58	62.9 Å²	62.9	38%	0.377	31%	0.313	S	S	.	.	H	α-helix	trans	-54.6	-34.3	178.5	-29	35.6	0	0	0	114.4	K72 Y296	P68-K72 WeakPolarHBondContact O-CB 3.36Å; P68-K72 VanDerWaalsContact O-CG 3.26Å; P68-K72 WeakPolarHBondContact O-CG 3.45Å; P68-K72 PolarHBondContact O-N 3.03Å; P68-Y296 HydrophobicContact CB-CE2 4.22Å
69	E	84.2	Confident	83.2	Confident	168 Å²	168	59.4 Å²	59.4	79%	0.785	30%	0.297	S	S	*	.	H	α-helix	trans	-69.4	-39.7	176.4	-69.3	-172.2	166.7	0	0	112.3	T67 N73	T67-E69 PolarHBondContact O-N 2.71Å; T67-E69 VanDerWaalsContact O-N 3.11Å; E69-N73 WeakPolarHBondContact O-CB 3.4Å; E69-N73 PolarHBondContact O-N 3.33Å
70	E	84.8	Confident	83.9	Confident	102 Å²	102	62.5 Å²	62.5	48%	0.477	31%	0.311	S	S	.	.	H	α-helix	trans	-70.4	-42.6	177	-71.6	168.7	139.6	0	0	111.5	L66 T67 K72 N73 R74	L66-E70 HydrophobicContact CB-CB 4.21Å; L66-E70 HydrophobicContact CD2-CB 4.29Å; T67-E70 PolarHBondContact N-OE2 2.66Å; T67-E70 VanDerWaalsContact N-OE2 3.17Å; T67-E70 PolarHBondContact O-N 2.72Å; T67-E70 VanDerWaalsContact OG1-CD 3.3Å; T67-E70 VanDerWaalsContact OG1-CG 3.3Å; T67-E70 WeakPolarHBondContact OG1-CG 3.17Å; T67-E70 PolarHBondContact OG1-N 3.07Å; T67-E70 PolarHBondContact OG1-OE2 2.72Å; E70-K72 PolarHBondContact O-N 3.35Å; E70-N73 PolarHBondContact O-N 3.46Å; E70-R74 WeakPolarHBondContact O-CB 3.14Å; E70-R74 PolarHBondContact O-N 3.49Å
71	S	84.6	Confident	84.4	Confident	5 Å²	5	69.2 Å²	69.2	4%	0.035	34%	0.341	C	S	.	.	H	α-helix	trans	-58.7	-46.4	174.5	-62	0	0	0	0	111.1	L66 T67 N73 R74 L75	L66-S71 VanDerWaalsContact CB-OG 3.32Å; L66-S71 WeakPolarHBondContact CB-OG 3.36Å; T67-S71 PolarHBondContact O-N 3.46Å; T67-S71 PolarHBondContact O-OG 3.34Å; S71-N73 PolarHBondContact O-N 2.97Å; S71-R74 PolarHBondContact O-N 3.3Å; S71-L75 VanDerWaalsContact O-CB 3.22Å; S71-L75 WeakPolarHBondContact O-CB 3.46Å; S71-L75 PolarHBondContact O-N 2.89Å
72	K	86	Confident	85.1	Confident	79 Å²	79	64.9 Å²	64.9	34%	0.343	32%	0.322	S	S	.	.	H	α-helix	trans	-62.2	-41.1	174.4	-75.7	175.4	-178.2	-180	0	112.8	P68 E70 G76 L293 Y296	P68-K72 WeakPolarHBondContact O-CB 3.36Å; P68-K72 VanDerWaalsContact O-CG 3.26Å; P68-K72 WeakPolarHBondContact O-CG 3.45Å; P68-K72 PolarHBondContact O-N 3.03Å; E70-K72 PolarHBondContact O-N 3.35Å; K72-G76 PolarHBondContact O-N 3.34Å; K72-L293 HydrophobicContact CB-CD2 4.28Å; K72-L293 WeakPolarHBondContact O-CD2 3.41Å; K72-Y296 HydrophobicContact CD-CD1 4.31Å; K72-Y296 HydrophobicContact CD-CG 4.37Å; K72-Y296 VanDerWaalsContact CE-CG 3.48Å; K72-Y296 HydrophobicContact CG-CD1 4.28Å; K72-Y296 HydrophobicContact CG-CD2 4.16Å; K72-Y296 HydrophobicContact CG-CG 3.84Å
73	N	87.1	Confident	85.8	Confident	96 Å²	96	63.3 Å²	63.3	51%	0.513	31%	0.311	S	S	.	.	H	α-helix	trans	-63	-44.8	177.3	-170.1	-49.9	0	0	0	111.4	E69 E70 S71 G76 K77	E69-N73 WeakPolarHBondContact O-CB 3.4Å; E69-N73 PolarHBondContact O-N 3.33Å; E70-N73 PolarHBondContact O-N 3.46Å; S71-N73 PolarHBondContact O-N 2.97Å; N73-G76 PolarHBondContact O-N 3.48Å; N73-K77 PolarHBondContact O-N 2.9Å; N73-K77 VanDerWaalsContact OD1-CE 3.29Å; N73-K77 WeakPolarHBondContact OD1-CE 3.45Å; N73-K77 PolarHBondContact OD1-NZ 2.99Å
74	R	86.6	Confident	86.3	Confident	73 Å²	73	67.2 Å²	67.2	28%	0.275	34%	0.344	S	S	.	.	H	α-helix	trans	-70	-43.6	-179.9	-165.3	174.9	178.1	-177.2	-2.1	111.7	E59 T62 F63 E70 S71 G76 K77 I78	E59-R74 IonicContact OE1-CZ 2.65Å; E59-R74 IonicContact OE1-NE 3.71Å; E59-R74 IonicContact OE1-NH2 3.42Å; E59-R74 PolarHBondContact OE1-NH2 3.13Å; T62-R74 VanDerWaalsContact OG1-CZ 3.28Å; T62-R74 PolarHBondContact OG1-NH1 3.36Å; T62-R74 PolarHBondContact OG1-NH2 3.12Å; F63-R74 HydrophobicContact CE1-CB 3.88Å; F63-R74 HydrophobicContact CE1-CG 4.15Å; F63-R74 HydrophobicContact CE2-CG 4.13Å; F63-R74 HydrophobicContact CZ-CB 3.76Å; F63-R74 VanDerWaalsContact CZ-CD 3.41Å; F63-R74 HydrophobicContact CZ-CG 3.51Å; E70-R74 WeakPolarHBondContact O-CB 3.14Å; E70-R74 PolarHBondContact O-N 3.49Å; S71-R74 PolarHBondContact O-N 3.3Å; R74-G76 VanDerWaalsContact C-N 3.26Å; R74-G76 PolarHBondContact O-N 3.05Å; R74-K77 WeakPolarHBondContact O-CB 3.45Å; R74-K77 PolarHBondContact O-N 2.97Å; R74-I78 WeakPolarHBondContact O-CG1 2.86Å; R74-I78 PolarHBondContact O-N 3Å; R74-I78 VanDerWaalsContact O-N 3.11Å
75	L	88.5	Confident	87.2	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-55.8	-43.2	171.7	177.7	55.5	0	0	0	110.9	F54 S71 K77 I78 V79 I292 L293 F299 V300	F54-L75 HydrophobicContact CE1-CD1 3.57Å; F54-L75 HydrophobicContact CZ-CD1 3.89Å; S71-L75 VanDerWaalsContact O-CB 3.22Å; S71-L75 WeakPolarHBondContact O-CB 3.46Å; S71-L75 PolarHBondContact O-N 2.89Å; L75-K77 PolarHBondContact O-N 3.14Å; L75-I78 WeakPolarHBondContact O-CA 3.43Å; L75-I78 WeakPolarHBondContact O-CB 3.29Å; L75-I78 PolarHBondContact O-N 3.25Å; L75-V79 HydrophobicContact CD1-CG2 4.29Å; L75-V79 HydrophobicContact CG-CG2 4.49Å; L75-V79 WeakPolarHBondContact O-CG2 3.35Å; L75-V79 PolarHBondContact O-N 2.86Å; L75-I292 HydrophobicContact CD1-CG2 4.06Å; L75-I292 HydrophobicContact CD2-CG2 3.97Å; L75-I292 HydrophobicContact CG-CG2 4.09Å; L75-L293 HydrophobicContact CB-CD2 4.12Å; L75-L293 HydrophobicContact CD2-CD2 4.11Å; L75-L293 HydrophobicContact CG-CD2 4.01Å; L75-F299 HydrophobicContact CD1-CB 4.08Å; L75-F299 HydrophobicContact CD2-CB 4.09Å; L75-V300 HydrophobicContact CB-CG1 4.24Å; L75-V300 HydrophobicContact CB-CG2 4.28Å; L75-V300 HydrophobicContact CD1-CG1 3.86Å; L75-V300 HydrophobicContact CD2-CG1 4.29Å; L75-V300 HydrophobicContact CD2-CG2 3.99Å; L75-V300 HydrophobicContact CG-CG1 4.35Å
76	G	90	Very high	88.1	Confident	4 Å²	4	70.6 Å²	70.6	4%	0.041	36%	0.356	C	S	.	.	H	α-helix	trans	-59.3	-31.4	177.1	0	0	0	0	0	114.3	K72 N73 R74 E80 K289	K72-G76 PolarHBondContact O-N 3.34Å; N73-G76 PolarHBondContact O-N 3.48Å; R74-G76 VanDerWaalsContact C-N 3.26Å; R74-G76 PolarHBondContact O-N 3.05Å; G76-E80 WeakPolarHBondContact O-CG 3.31Å; G76-E80 PolarHBondContact O-N 3.42Å; G76-K289 WeakPolarHBondContact O-CE 3.36Å; G76-K289 PolarHBondContact O-NZ 2.95Å
77	K	90.3	Very high	88.8	Confident	116 Å²	116	72.4 Å²	72.4	50%	0.504	37%	0.366	S	S	.	.	H	α-helix	trans	-79.4	-25	173.8	-65.2	171.4	-175.4	162.7	0	112.8	N73 R74 L75 K81	N73-K77 PolarHBondContact O-N 2.9Å; N73-K77 VanDerWaalsContact OD1-CE 3.29Å; N73-K77 WeakPolarHBondContact OD1-CE 3.45Å; N73-K77 PolarHBondContact OD1-NZ 2.99Å; R74-K77 WeakPolarHBondContact O-CB 3.45Å; R74-K77 PolarHBondContact O-N 2.97Å; L75-K77 PolarHBondContact O-N 3.14Å; K77-K81 WeakPolarHBondContact O-CG 2.9Å
78	I	89.8	Confident	89.2	Confident	10 Å²	10	71.2 Å²	71.2	5%	0.051	37%	0.368	C	S	.	.	H	α-helix	trans	-73.2	-46.2	174.5	-68.3	172.7	0	0	0	109	F54 L55 F63 R74 L75 E80 K81 I82 W98	F54-I78 HydrophobicContact CE1-CG2 3.87Å; F54-I78 HydrophobicContact CZ-CG2 3.75Å; L55-I78 HydrophobicContact CD2-CD1 3.45Å; L55-I78 VanDerWaalsContact CD2-CD1 3.45Å; F63-I78 HydrophobicContact CE2-CD1 4.23Å; F63-I78 HydrophobicContact CZ-CD1 3.82Å; R74-I78 WeakPolarHBondContact O-CG1 2.86Å; R74-I78 PolarHBondContact O-N 3Å; R74-I78 VanDerWaalsContact O-N 3.11Å; L75-I78 WeakPolarHBondContact O-CA 3.43Å; L75-I78 WeakPolarHBondContact O-CB 3.29Å; L75-I78 PolarHBondContact O-N 3.25Å; I78-E80 VanDerWaalsContact C-N 3.26Å; I78-E80 PolarHBondContact O-N 3.36Å; I78-K81 WeakPolarHBondContact O-CA 3.25Å; I78-K81 WeakPolarHBondContact O-CB 3.3Å; I78-K81 PolarHBondContact O-N 2.89Å; I78-I82 HydrophobicContact CG2-CD1 3.84Å; I78-I82 HydrophobicContact CG2-CG1 4.31Å; I78-I82 WeakPolarHBondContact O-CG1 3.42Å; I78-I82 PolarHBondContact O-N 3.19Å; I78-I82 VanDerWaalsContact O-N 3.13Å; I78-W98 HydrophobicContact CG2-CH2 4.04Å; I78-W98 HydrophobicContact CG2-CZ2 3.49Å; I78-W98 VanDerWaalsContact CG2-CZ2 3.49Å
79	V	91	Very high	89.8	Confident	6 Å²	6	71.1 Å²	71.1	4%	0.036	36%	0.362	C	S	.	.	H	α-helix	trans	-53.1	-44	175.2	174	0	0	0	0	111.8	L75 K81 I82 D83 V90 K289 I292	L75-V79 HydrophobicContact CD1-CG2 4.29Å; L75-V79 HydrophobicContact CG-CG2 4.49Å; L75-V79 WeakPolarHBondContact O-CG2 3.35Å; L75-V79 PolarHBondContact O-N 2.86Å; V79-K81 PolarHBondContact O-N 2.89Å; V79-K81 VanDerWaalsContact O-N 3.17Å; V79-I82 PolarHBondContact O-N 3.01Å; V79-D83 PolarHBondContact O-N 2.94Å; V79-D83 VanDerWaalsContact O-N 3.09Å; V79-V90 HydrophobicContact CG1-CG2 3.91Å; V79-K289 HydrophobicContact CG1-CB 4.11Å; V79-K289 HydrophobicContact CG1-CG 4.13Å; V79-I292 HydrophobicContact CG1-CD1 4.02Å; V79-I292 HydrophobicContact CG2-CB 4.14Å; V79-I292 HydrophobicContact CG2-CD1 3.77Å; V79-I292 HydrophobicContact CG2-CG2 3.63Å
80	E	90.8	Very high	90.3	Very high	120 Å²	120	63.1 Å²	63.1	56%	0.561	32%	0.324	S	S	*	.	H	α-helix	trans	-62	-20.2	175.5	-73.3	169.2	-165.5	0	0	114.3	G76 I78 K289	G76-E80 WeakPolarHBondContact O-CG 3.31Å; G76-E80 PolarHBondContact O-N 3.42Å; I78-E80 VanDerWaalsContact C-N 3.26Å; I78-E80 PolarHBondContact O-N 3.36Å; E80-K289 IonicContact OE1-NZ 2.64Å; E80-K289 PolarHBondContact OE1-NZ 3.39Å
81	K	90.9	Very high	90.8	Very high	143 Å²	143	60.5 Å²	60.5	62%	0.622	32%	0.315	S	S	*	.	H	α-helix	trans	-92.7	-17.3	174.5	-65	173.9	-178.4	177.5	0	112.9	K77 I78 V79 W98	K77-K81 WeakPolarHBondContact O-CG 2.9Å; I78-K81 WeakPolarHBondContact O-CA 3.25Å; I78-K81 WeakPolarHBondContact O-CB 3.3Å; I78-K81 PolarHBondContact O-N 2.89Å; V79-K81 PolarHBondContact O-N 2.89Å; V79-K81 VanDerWaalsContact O-N 3.17Å; K81-W98 HydrophobicContact CB-CH2 4.42Å; K81-W98 HydrophobicContact CB-CZ3 3.86Å; K81-W98 HydrophobicContact CD-CH2 4.39Å; K81-W98 HydrophobicContact CD-CZ3 4.47Å
82	I	92.1	Very high	91.2	Very high	6 Å²	6	63.6 Å²	63.6	3%	0.031	33%	0.329	C	S	.	.	H	α-helix	trans	-82.4	-45.8	179.3	-64.2	171.7	0	0	0	109.3	F54 I78 V79 A84 V90 E94 L95 W98	F54-I82 HydrophobicContact CE2-CD1 3.43Å; F54-I82 VanDerWaalsContact CE2-CD1 3.43Å; F54-I82 HydrophobicContact CZ-CD1 3.47Å; F54-I82 VanDerWaalsContact CZ-CD1 3.47Å; I78-I82 HydrophobicContact CG2-CD1 3.84Å; I78-I82 HydrophobicContact CG2-CG1 4.31Å; I78-I82 WeakPolarHBondContact O-CG1 3.42Å; I78-I82 PolarHBondContact O-N 3.19Å; I78-I82 VanDerWaalsContact O-N 3.13Å; V79-I82 PolarHBondContact O-N 3.01Å; I82-A84 PolarHBondContact O-N 3.01Å; I82-V90 HydrophobicContact CB-CG2 4.25Å; I82-V90 HydrophobicContact CG2-CB 4.42Å; I82-V90 HydrophobicContact CG2-CG1 3.55Å; I82-V90 HydrophobicContact CG2-CG2 4.03Å; I82-E94 HydrophobicContact CG2-CB 4.03Å; I82-L95 HydrophobicContact CD1-CD1 4.36Å; I82-W98 HydrophobicContact CD1-CB 4.35Å; I82-W98 HydrophobicContact CD1-CD2 3.98Å; I82-W98 HydrophobicContact CD1-CG 3.79Å; I82-W98 HydrophobicContact CG1-CB 3.9Å; I82-W98 HydrophobicContact CG1-CD2 3.46Å; I82-W98 VanDerWaalsContact CG1-CD2 3.46Å; I82-W98 HydrophobicContact CG1-CE3 3.65Å; I82-W98 HydrophobicContact CG1-CG 3.54Å; I82-W98 HydrophobicContact CG1-CZ3 4.41Å; I82-W98 HydrophobicContact CG2-CB 4.19Å
83	D	92.9	Very high	91.5	Very high	24 Å²	24	63.1 Å²	63.1	13%	0.128	34%	0.34	C	S	.	.			trans	-60.8	95.5	171.8	178.2	2.4	0	0	0	109.2	V79 E86 D87 G88 V90	V79-D83 PolarHBondContact O-N 2.94Å; V79-D83 VanDerWaalsContact O-N 3.09Å; D83-E86 WeakPolarHBondContact OD1-CA 3.44Å; D83-E86 PolarHBondContact OD1-N 3.03Å; D83-D87 PolarHBondContact OD1-N 3.27Å; D83-G88 VanDerWaalsContact OD2-CA 3.25Å; D83-G88 WeakPolarHBondContact OD2-CA 3.19Å; D83-G88 PolarHBondContact OD2-N 3.05Å; D83-V90 HydrophobicContact CB-CG2 4.37Å
84	A	90.9	Very high	91.9	Very high	83 Å²	83	59.6 Å²	59.6	69%	0.686	32%	0.32	S	S	*	.	S	Bend	trans	-89.6	-26.4	-169	0	0	0	0	0	111.8	I82 E94	I82-A84 PolarHBondContact O-N 3.01Å; A84-E94 HydrophobicContact CB-CG 4.48Å; A84-E94 PolarHBondContact N-OE1 3Å
85	D	92.4	Very high	92.1	Very high	105 Å²	105	56.1 Å²	56.1	56%	0.561	31%	0.308	S	S	*	.	S	Bend	trans	-95.6	-1	176	72.6	6.1	0	0	0	113.9	D87	D85-D87 PolarHBondContact O-N 3.2Å; D85-D87 VanDerWaalsContact OD1-CB 3.29Å; D85-D87 WeakPolarHBondContact OD1-CB 3.46Å; D85-D87 PolarHBondContact OD1-N 3.16Å
86	E	93.6	Very high	92.3	Very high	173 Å²	173	58.2 Å²	58.2	81%	0.808	32%	0.317	S	S	*	.			trans	58.9	30.4	177.3	-57.3	-179	-174.9	0	0	112.5	D83 G88	D83-E86 WeakPolarHBondContact OD1-CA 3.44Å; D83-E86 PolarHBondContact OD1-N 3.03Å; E86-G88 VanDerWaalsContact C-N 3.26Å; E86-G88 PolarHBondContact O-N 2.97Å
87	D	93.2	Very high	92.4	Very high	79 Å²	79	60.9 Å²	60.9	42%	0.422	34%	0.338	S	S	.	.	S	Bend	trans	-81.6	-6.4	179.4	91.2	-12	0	0	0	113.4	D83 D85 F89	D83-D87 PolarHBondContact OD1-N 3.27Å; D85-D87 PolarHBondContact O-N 3.2Å; D85-D87 VanDerWaalsContact OD1-CB 3.29Å; D85-D87 WeakPolarHBondContact OD1-CB 3.46Å; D85-D87 PolarHBondContact OD1-N 3.16Å; D87-F89 WeakPolarHBondContact O-CD2 3.18Å; D87-F89 WeakPolarHBondContact OD1-CA 3.1Å; D87-F89 VanDerWaalsContact OD1-CB 3.3Å; D87-F89 WeakPolarHBondContact OD1-CB 3.4Å; D87-F89 WeakPolarHBondContact OD1-CD2 3.2Å; D87-F89 PolarHBondContact OD1-N 3.46Å
88	G	92.2	Very high	92.4	Very high	45 Å²	45	57.1 Å²	57.1	46%	0.464	32%	0.321	S	S	.	.	S	Bend	trans	87.3	5.1	179.1	0	0	0	0	0	114.2	D83 E86	D83-G88 VanDerWaalsContact OD2-CA 3.25Å; D83-G88 WeakPolarHBondContact OD2-CA 3.19Å; D83-G88 PolarHBondContact OD2-N 3.05Å; E86-G88 VanDerWaalsContact C-N 3.26Å; E86-G88 PolarHBondContact O-N 2.97Å
89	F	94.4	Very high	92.4	Very high	56 Å²	56	56.6 Å²	56.6	25%	0.246	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	154.9	175.7	-57	-89.5	0	0	0	110.4	D87 K286 L287 T288	D87-F89 WeakPolarHBondContact O-CD2 3.18Å; D87-F89 WeakPolarHBondContact OD1-CA 3.1Å; D87-F89 VanDerWaalsContact OD1-CB 3.3Å; D87-F89 WeakPolarHBondContact OD1-CB 3.4Å; D87-F89 WeakPolarHBondContact OD1-CD2 3.2Å; D87-F89 PolarHBondContact OD1-N 3.46Å; F89-K286 HydrophobicContact CB-CB 4.25Å; F89-K286 HydrophobicContact CB-CD 3.87Å; F89-K286 HydrophobicContact CB-CG 4.36Å; F89-K286 HydrophobicContact CD1-CD 3.55Å; F89-K286 VanDerWaalsContact CD1-CE 3.48Å; F89-K286 HydrophobicContact CD1-CG 3.9Å; F89-K286 HydrophobicContact CD2-CD 4.29Å; F89-K286 HydrophobicContact CE1-CD 4.14Å; F89-K286 VanDerWaalsContact CE1-NZ 3.33Å; F89-K286 HydrophobicContact CG-CD 3.64Å; F89-K286 HydrophobicContact CG-CG 4.33Å; F89-L287 CarbonylContact C-O 3.59Å; F89-L287 WeakPolarHBondContact CA-O 3.45Å; F89-T288 HydrophobicContact CD1-CG2 3.83Å; F89-T288 HydrophobicContact CE1-CG2 3.67Å
90	V	93.9	Very high	92.2	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.006	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	116.6	171	170.9	0	0	0	0	108	V79 I82 D83 L95 L287 I292	V79-V90 HydrophobicContact CG1-CG2 3.91Å; I82-V90 HydrophobicContact CB-CG2 4.25Å; I82-V90 HydrophobicContact CG2-CB 4.42Å; I82-V90 HydrophobicContact CG2-CG1 3.55Å; I82-V90 HydrophobicContact CG2-CG2 4.03Å; D83-V90 HydrophobicContact CB-CG2 4.37Å; V90-L95 HydrophobicContact CG1-CB 4.16Å; V90-L287 HydrophobicContact CB-CB 4.32Å; V90-L287 PolarHBondContact N-O 2.76Å; V90-L287 PolarHBondContact O-N 2.84Å; V90-I292 HydrophobicContact CB-CD1 4.1Å; V90-I292 HydrophobicContact CG1-CD1 4.49Å; V90-I292 HydrophobicContact CG2-CD1 4.02Å
91	T	94.7	Very high	92	Very high	46 Å²	46	60.4 Å²	60.4	28%	0.282	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	160.8	177	61.7	0	0	0	0	111.5	A93 E94 L95	T91-A93 PolarHBondContact O-N 3.13Å; T91-E94 WeakPolarHBondContact CB-OE2 3.43Å; T91-E94 PolarHBondContact N-OE2 3.42Å; T91-E94 PolarHBondContact O-N 3Å; T91-E94 WeakPolarHBondContact OG1-CG 3.33Å; T91-E94 PolarHBondContact OG1-N 3.49Å; T91-E94 PolarHBondContact OG1-OE2 2.95Å; T91-L95 WeakPolarHBondContact O-CB 3.45Å; T91-L95 PolarHBondContact O-N 2.96Å
92	E	93.6	Very high	91.8	Very high	70 Å²	70	54 Å²	54	33%	0.327	31%	0.306	S	S	.	.	H	α-helix	trans	-52.6	-39.9	172	-175.2	-166.6	134	0	0	111.7	L95 K96 A272 K273 V276	E92-L95 PolarHBondContact O-N 2.82Å; E92-K96 VanDerWaalsContact O-CB 3.25Å; E92-K96 WeakPolarHBondContact O-CB 3.43Å; E92-K96 PolarHBondContact O-N 3.46Å; E92-A272 HydrophobicContact CG-CB 4.12Å; E92-K273 HydrophobicContact CG-CG 3.97Å; E92-K273 WeakPolarHBondContact OE1-CE 3.33Å; E92-K273 VanDerWaalsContact OE1-CG 3.31Å; E92-K273 WeakPolarHBondContact OE1-CG 3.08Å; E92-K273 IonicContact OE1-NZ 4Å; E92-V276 HydrophobicContact CB-CG2 4.33Å
93	A	93.5	Very high	91.2	Very high	70 Å²	70	54.8 Å²	54.8	58%	0.579	31%	0.31	S	S	*	.	H	α-helix	trans	-65.9	-41.3	-179.3	0	0	0	0	0	112.5	T91 A97	T91-A93 PolarHBondContact O-N 3.13Å; A93-A97 WeakPolarHBondContact O-CB 3.46Å; A93-A97 PolarHBondContact O-N 3.34Å
94	E	94.6	Very high	90.8	Very high	21 Å²	21	58.4 Å²	58.4	10%	0.098	32%	0.324	C	S	.	.	H	α-helix	trans	-69.5	-40.4	176.6	-71.2	167.8	127.2	0	0	111.7	I82 A84 T91 A97 W98	I82-E94 HydrophobicContact CG2-CB 4.03Å; A84-E94 HydrophobicContact CB-CG 4.48Å; A84-E94 PolarHBondContact N-OE1 3Å; T91-E94 WeakPolarHBondContact CB-OE2 3.43Å; T91-E94 PolarHBondContact N-OE2 3.42Å; T91-E94 PolarHBondContact O-N 3Å; T91-E94 WeakPolarHBondContact OG1-CG 3.33Å; T91-E94 PolarHBondContact OG1-N 3.49Å; T91-E94 PolarHBondContact OG1-OE2 2.95Å; E94-A97 PolarHBondContact O-N 2.97Å; E94-W98 WeakPolarHBondContact O-CB 3.37Å; E94-W98 PolarHBondContact O-N 2.73Å
95	L	91.6	Very high	90.5	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-64.7	-43.8	176.8	-169.6	58.7	0	0	0	111.4	F54 I82 V90 T91 E92 A97 W98 I99 A272 L275 V276	F54-L95 HydrophobicContact CD2-CD1 3.82Å; F54-L95 HydrophobicContact CE2-CD1 3.56Å; I82-L95 HydrophobicContact CD1-CD1 4.36Å; V90-L95 HydrophobicContact CG1-CB 4.16Å; T91-L95 WeakPolarHBondContact O-CB 3.45Å; T91-L95 PolarHBondContact O-N 2.96Å; E92-L95 PolarHBondContact O-N 2.82Å; L95-A97 VanDerWaalsContact C-N 3.34Å; L95-A97 PolarHBondContact O-N 2.84Å; L95-W98 WeakPolarHBondContact O-CB 3.22Å; L95-W98 PolarHBondContact O-N 3.49Å; L95-I99 HydrophobicContact CG-CD1 4.26Å; L95-I99 WeakPolarHBondContact O-CG1 3.47Å; L95-I99 PolarHBondContact O-N 3.04Å; L95-A272 HydrophobicContact CB-CB 4.16Å; L95-A272 HydrophobicContact CD2-CB 4.37Å; L95-A272 HydrophobicContact CG-CB 4.18Å; L95-L275 HydrophobicContact CD1-CD1 4.28Å; L95-L275 HydrophobicContact CD2-CB 3.58Å; L95-L275 HydrophobicContact CD2-CD1 3.83Å; L95-L275 HydrophobicContact CD2-CG 4.37Å; L95-L275 HydrophobicContact CG-CD1 4.2Å; L95-V276 HydrophobicContact CD2-CG2 4.12Å
96	K	91.8	Very high	90	Very high	43 Å²	43	58 Å²	58	19%	0.187	30%	0.3	C	S	.	.	H	α-helix	trans	-57	-47	171.6	177.6	-179.8	180	172	0	111.3	E92 W98 I99 K100 D266 A268 E269 A272	E92-K96 VanDerWaalsContact O-CB 3.25Å; E92-K96 WeakPolarHBondContact O-CB 3.43Å; E92-K96 PolarHBondContact O-N 3.46Å; K96-W98 VanDerWaalsContact C-N 3.29Å; K96-W98 PolarHBondContact O-N 3.33Å; K96-I99 PolarHBondContact O-N 2.74Å; K96-K100 WeakPolarHBondContact O-CG 3.47Å; K96-K100 PolarHBondContact O-N 3.3Å; K96-D266 VanDerWaalsContact CE-CG 3.41Å; K96-D266 WeakPolarHBondContact CE-OD1 3.46Å; K96-D266 WeakPolarHBondContact CE-OD2 3.47Å; K96-D266 IonicContact NZ-OD1 3.86Å; K96-D266 IonicContact NZ-OD2 3.92Å; K96-D266 PolarHBondContact NZ-OD2 3.09Å; K96-A268 HydrophobicContact CG-CB 4.21Å; K96-E269 HydrophobicContact CD-CB 3.86Å; K96-E269 HydrophobicContact CD-CG 4.19Å; K96-E269 IonicContact NZ-OE2 2.81Å; K96-E269 PolarHBondContact NZ-OE2 3.35Å; K96-A272 HydrophobicContact CB-CB 3.87Å
97	A	91.3	Very high	89.4	Confident	60 Å²	60	50.4 Å²	50.4	50%	0.496	27%	0.265	S	S	.	.	H	α-helix	trans	-62.9	-36.9	178.2	0	0	0	0	0	112.1	A93 E94 L95 K101	A93-A97 WeakPolarHBondContact O-CB 3.46Å; A93-A97 PolarHBondContact O-N 3.34Å; E94-A97 PolarHBondContact O-N 2.97Å; L95-A97 VanDerWaalsContact C-N 3.34Å; L95-A97 PolarHBondContact O-N 2.84Å; A97-K101 WeakPolarHBondContact O-CB 3.48Å; A97-K101 PolarHBondContact O-N 2.98Å
98	W	92.1	Very high	89	Confident	37 Å²	37	48.7 Å²	48.7	14%	0.14	25%	0.253	C	S	.	.	H	α-helix	trans	-65.7	-47.7	174.6	176.6	-95.4	0	0	0	112.5	F54 I78 K81 I82 E94 L95 K96 K100 K101 A102	F54-W98 AromaticContact CD2-CD1 3.97Å; F54-W98 AromaticContact CE2-CD1 3.92Å; F54-W98 PolarHBondContact O-NE1 2.9Å; I78-W98 HydrophobicContact CG2-CH2 4.04Å; I78-W98 HydrophobicContact CG2-CZ2 3.49Å; I78-W98 VanDerWaalsContact CG2-CZ2 3.49Å; K81-W98 HydrophobicContact CB-CH2 4.42Å; K81-W98 HydrophobicContact CB-CZ3 3.86Å; K81-W98 HydrophobicContact CD-CH2 4.39Å; K81-W98 HydrophobicContact CD-CZ3 4.47Å; I82-W98 HydrophobicContact CD1-CB 4.35Å; I82-W98 HydrophobicContact CD1-CD2 3.98Å; I82-W98 HydrophobicContact CD1-CG 3.79Å; I82-W98 HydrophobicContact CG1-CB 3.9Å; I82-W98 HydrophobicContact CG1-CD2 3.46Å; I82-W98 VanDerWaalsContact CG1-CD2 3.46Å; I82-W98 HydrophobicContact CG1-CE3 3.65Å; I82-W98 HydrophobicContact CG1-CG 3.54Å; I82-W98 HydrophobicContact CG1-CZ3 4.41Å; I82-W98 HydrophobicContact CG2-CB 4.19Å; E94-W98 WeakPolarHBondContact O-CB 3.37Å; E94-W98 PolarHBondContact O-N 2.73Å; L95-W98 WeakPolarHBondContact O-CB 3.22Å; L95-W98 PolarHBondContact O-N 3.49Å; K96-W98 VanDerWaalsContact C-N 3.29Å; K96-W98 PolarHBondContact O-N 3.33Å; W98-K100 PolarHBondContact O-N 3.02Å; W98-K101 CarbonylContact O-C 3.56Å; W98-K101 WeakPolarHBondContact O-CA 3.34Å; W98-K101 WeakPolarHBondContact O-CB 3.45Å; W98-K101 PolarHBondContact O-N 3.47Å; W98-A102 PolarHBondContact O-N 2.67Å
99	I	87.9	Confident	88.5	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.2	-47.4	177.8	-68.2	165.9	0	0	0	110.3	L36 L95 K96 K101 A102 Q103 A268 E271 A272 L275	L36-I99 HydrophobicContact CD1-CG2 3.74Å; L36-I99 HydrophobicContact CD2-CG2 3.84Å; L36-I99 HydrophobicContact CG-CG2 4.4Å; L95-I99 HydrophobicContact CG-CD1 4.26Å; L95-I99 WeakPolarHBondContact O-CG1 3.47Å; L95-I99 PolarHBondContact O-N 3.04Å; K96-I99 PolarHBondContact O-N 2.74Å; I99-K101 PolarHBondContact O-N 3.11Å; I99-A102 WeakPolarHBondContact O-CB 3.38Å; I99-A102 PolarHBondContact O-N 3.2Å; I99-A102 VanDerWaalsContact O-N 3.1Å; I99-Q103 PolarHBondContact O-N 3.02Å; I99-A268 HydrophobicContact CB-CB 4.11Å; I99-A268 HydrophobicContact CG2-CB 3.67Å; I99-E271 HydrophobicContact CD1-CB 4.07Å; I99-E271 HydrophobicContact CD1-CG 4.04Å; I99-A272 HydrophobicContact CD1-CB 4.18Å; I99-L275 HydrophobicContact CD1-CD1 4.07Å
100	K	86.8	Confident	87.9	Confident	74 Å²	74	48.6 Å²	48.6	32%	0.322	24%	0.244	S	C	.	.	H	α-helix	trans	-59.3	-36.8	174.5	-70.2	-160.8	179.1	-157.4	0	112.6	K96 W98 K104 D266 A268	K96-K100 WeakPolarHBondContact O-CG 3.47Å; K96-K100 PolarHBondContact O-N 3.3Å; W98-K100 PolarHBondContact O-N 3.02Å; K100-K104 WeakPolarHBondContact O-CB 3.32Å; K100-K104 WeakPolarHBondContact O-CG 3.33Å; K100-K104 PolarHBondContact O-N 2.88Å; K100-D266 WeakPolarHBondContact CE-OD1 3.36Å; K100-D266 VanDerWaalsContact CE-OD2 3.3Å; K100-D266 WeakPolarHBondContact CE-OD2 3.41Å; K100-D266 VanDerWaalsContact NZ-CG 3.32Å; K100-D266 IonicContact NZ-OD1 3.92Å; K100-D266 PolarHBondContact NZ-OD1 3.24Å; K100-D266 IonicContact NZ-OD2 3.41Å; K100-D266 PolarHBondContact NZ-OD2 2.73Å; K100-A268 HydrophobicContact CD-CB 4.36Å; K100-A268 HydrophobicContact CG-CB 3.5Å
101	K	87.4	Confident	87.5	Confident	132 Å²	132	48.5 Å²	48.5	57%	0.574	24%	0.244	S	C	*	.	H	α-helix	trans	-68.6	-39.1	176.3	-178.1	-177.5	179	180	0	111.9	A97 W98 I99 K105	A97-K101 WeakPolarHBondContact O-CB 3.48Å; A97-K101 PolarHBondContact O-N 2.98Å; W98-K101 CarbonylContact O-C 3.56Å; W98-K101 WeakPolarHBondContact O-CA 3.34Å; W98-K101 WeakPolarHBondContact O-CB 3.45Å; W98-K101 PolarHBondContact O-N 3.47Å; I99-K101 PolarHBondContact O-N 3.11Å; K101-K105 WeakPolarHBondContact O-CB 3.38Å; K101-K105 PolarHBondContact O-N 3.4Å
102	A	86.2	Confident	87.1	Confident	8 Å²	8	50.1 Å²	50.1	7%	0.066	25%	0.248	C	C	.	.	H	α-helix	trans	-64.4	-45.9	175.6	0	0	0	0	0	111.1	W98 I99 K105 Y106	W98-A102 PolarHBondContact O-N 2.67Å; I99-A102 WeakPolarHBondContact O-CB 3.38Å; I99-A102 PolarHBondContact O-N 3.2Å; I99-A102 VanDerWaalsContact O-N 3.1Å; A102-K105 WeakPolarHBondContact O-CB 3.4Å; A102-K105 PolarHBondContact O-N 3.35Å; A102-Y106 PolarHBondContact O-N 3Å
103	Q	80.9	Confident	86.6	Confident	23 Å²	23	52.2 Å²	52.2	11%	0.107	25%	0.253	C	S	.	.	H	α-helix	trans	-58.1	-50.6	174.4	-171.9	-171.4	16	0	0	111.7	A34 L36 I99 K105 Y106 I107	A34-Q103 PolarHBondContact O-NE2 2.78Å; L36-Q103 HydrophobicContact CD2-CB 4.26Å; L36-Q103 HydrophobicContact CD2-CG 4.19Å; I99-Q103 PolarHBondContact O-N 3.02Å; Q103-K105 VanDerWaalsContact C-N 3.31Å; Q103-K105 PolarHBondContact O-N 2.81Å; Q103-Y106 WeakPolarHBondContact O-CB 3.5Å; Q103-Y106 PolarHBondContact O-N 3.41Å; Q103-Y106 VanDerWaalsContact O-N 3.13Å; Q103-I107 PolarHBondContact O-N 2.95Å; Q103-I107 VanDerWaalsContact O-N 3.12Å
104	K	83.1	Confident	86	Confident	100 Å²	100	52.3 Å²	52.3	44%	0.435	24%	0.242	S	C	.	.	H	α-helix	trans	-58.1	-43.5	175.7	-76.7	-171.5	177.3	-157.9	0	112.1	K100 Y106 I107 Y108	K100-K104 WeakPolarHBondContact O-CB 3.32Å; K100-K104 WeakPolarHBondContact O-CG 3.33Å; K100-K104 PolarHBondContact O-N 2.88Å; K104-Y106 VanDerWaalsContact C-N 3.3Å; K104-Y106 PolarHBondContact O-N 3.19Å; K104-I107 PolarHBondContact O-N 2.58Å; K104-Y108 WeakPolarHBondContact O-CB 3.22Å; K104-Y108 VanDerWaalsContact O-CD2 3.24Å; K104-Y108 WeakPolarHBondContact O-CD2 3.26Å; K104-Y108 PolarHBondContact O-N 3.06Å
105	K	85.1	Confident	85.6	Confident	101 Å²	101	52.2 Å²	52.2	44%	0.439	24%	0.24	S	C	.	.	H	α-helix	trans	-58.6	-43.1	177.3	-177.2	-173	171.3	-165.4	0	111.2	E59 K101 A102 Q103 I107 Y108 D109	E59-K105 IonicContact OE2-NZ 2.67Å; E59-K105 PolarHBondContact OE2-NZ 3.32Å; K101-K105 WeakPolarHBondContact O-CB 3.38Å; K101-K105 PolarHBondContact O-N 3.4Å; A102-K105 WeakPolarHBondContact O-CB 3.4Å; A102-K105 PolarHBondContact O-N 3.35Å; Q103-K105 VanDerWaalsContact C-N 3.31Å; Q103-K105 PolarHBondContact O-N 2.81Å; K105-I107 PolarHBondContact O-N 3.29Å; K105-Y108 WeakPolarHBondContact O-CB 3.44Å; K105-Y108 PolarHBondContact O-N 2.68Å; K105-D109 WeakPolarHBondContact O-CB 3.22Å; K105-D109 VanDerWaalsContact O-CG 3.32Å; K105-D109 PolarHBondContact O-N 2.69Å
106	Y	81	Confident	85.4	Confident	78 Å²	78	59.9 Å²	59.9	31%	0.306	27%	0.274	S	S	.	.	H	α-helix	trans	-58.9	-46.3	176.5	175.4	-98.9	0	0	0	112.3	E57 A102 Q103 K104 Y108 D109 N110	E57-Y106 HydrophobicContact CB-CD2 3.99Å; E57-Y106 HydrophobicContact CB-CE2 3.72Å; E57-Y106 HydrophobicContact CG-CE2 4.48Å; E57-Y106 WeakPolarHBondContact OE2-CE2 3.44Å; E57-Y106 VanDerWaalsContact OE2-CZ 3.22Å; E57-Y106 PolarHBondContact OE2-OH 3.35Å; A102-Y106 PolarHBondContact O-N 3Å; Q103-Y106 WeakPolarHBondContact O-CB 3.5Å; Q103-Y106 PolarHBondContact O-N 3.41Å; Q103-Y106 VanDerWaalsContact O-N 3.13Å; K104-Y106 VanDerWaalsContact C-N 3.3Å; K104-Y106 PolarHBondContact O-N 3.19Å; Y106-Y108 VanDerWaalsContact C-N 3.34Å; Y106-Y108 PolarHBondContact O-N 3.18Å; Y106-D109 PolarHBondContact O-N 3.11Å; Y106-N110 PolarHBondContact O-N 3.21Å
107	I	81.4	Confident	85.2	Confident	13 Å²	13	63 Å²	63	7%	0.067	29%	0.293	C	S	.	.	H	α-helix	trans	-59.7	-47.2	176	-63.9	174.1	0	0	0	110.1	Q103 K104 K105 D109 N110 V111 T179 H183 E186	Q103-I107 PolarHBondContact O-N 2.95Å; Q103-I107 VanDerWaalsContact O-N 3.12Å; K104-I107 PolarHBondContact O-N 2.58Å; K105-I107 PolarHBondContact O-N 3.29Å; I107-D109 VanDerWaalsContact C-N 3.33Å; I107-D109 PolarHBondContact O-N 3.43Å; I107-N110 WeakPolarHBondContact O-CB 3.08Å; I107-N110 PolarHBondContact O-N 3.42Å; I107-N110 VanDerWaalsContact O-N 3.14Å; I107-V111 VanDerWaalsContact O-CG2 3.3Å; I107-V111 WeakPolarHBondContact O-CG2 3.39Å; I107-V111 PolarHBondContact O-N 3.32Å; I107-T179 HydrophobicContact CG2-CG2 3.67Å; I107-H183 HydrophobicContact CG2-CB 4.37Å; I107-H183 WeakPolarHBondContact CG2-CD2 3.2Å; I107-E186 HydrophobicContact CD1-CG 3.85Å
108	Y	84.7	Confident	85.1	Confident	43 Å²	43	61.2 Å²	61.2	17%	0.169	27%	0.274	C	S	.	.	H	α-helix	trans	-59.7	-38.9	176.6	-94.4	-70.6	0	0	0	114.1	K104 K105 Y106 E112 K175 E176 T179 Y187	K104-Y108 WeakPolarHBondContact O-CB 3.22Å; K104-Y108 VanDerWaalsContact O-CD2 3.24Å; K104-Y108 WeakPolarHBondContact O-CD2 3.26Å; K104-Y108 PolarHBondContact O-N 3.06Å; K105-Y108 WeakPolarHBondContact O-CB 3.44Å; K105-Y108 PolarHBondContact O-N 2.68Å; Y106-Y108 VanDerWaalsContact C-N 3.34Å; Y106-Y108 PolarHBondContact O-N 3.18Å; Y108-E112 WeakPolarHBondContact O-CB 3.48Å; Y108-E112 PolarHBondContact O-N 2.96Å; Y108-K175 HydrophobicContact CD1-CD 4.15Å; Y108-K175 HydrophobicContact CD1-CG 4.17Å; Y108-K175 HydrophobicContact CE1-CD 4.41Å; Y108-K175 HydrophobicContact CE1-CG 4.06Å; Y108-E176 WeakPolarHBondContact OH-CA 3.37Å; Y108-E176 PolarHBondContact OH-OE1 3.38Å; Y108-E176 PolarHBondContact OH-OE2 3.13Å; Y108-T179 WeakPolarHBondContact CE1-OG1 3.41Å; Y108-Y187 PolarHBondContact OH-OH 2.84Å
109	D	83.3	Confident	85.1	Confident	56 Å²	56	60 Å²	60	30%	0.299	27%	0.27	S	S	.	.	H	α-helix	trans	-72.2	-33	177.5	-72.5	-18	0	0	0	110.7	K105 Y106 I107 E112 R113	K105-D109 WeakPolarHBondContact O-CB 3.22Å; K105-D109 VanDerWaalsContact O-CG 3.32Å; K105-D109 PolarHBondContact O-N 2.69Å; Y106-D109 PolarHBondContact O-N 3.11Å; I107-D109 VanDerWaalsContact C-N 3.33Å; I107-D109 PolarHBondContact O-N 3.43Å; D109-E112 PolarHBondContact O-N 3.18Å; D109-R113 WeakPolarHBondContact O-CG 3.48Å; D109-R113 PolarHBondContact O-N 3.31Å; D109-R113 VanDerWaalsContact O-N 3.13Å
110	N	80.8	Confident	85.3	Confident	43 Å²	43	64.7 Å²	64.7	23%	0.23	29%	0.294	C	S	.	.	H	α-helix	trans	-63	-49.2	170.8	-163.7	-58.2	0	0	0	111.3	Y106 I107 E112 R113 Q114	Y106-N110 PolarHBondContact O-N 3.21Å; I107-N110 WeakPolarHBondContact O-CB 3.08Å; I107-N110 PolarHBondContact O-N 3.42Å; I107-N110 VanDerWaalsContact O-N 3.14Å; N110-E112 VanDerWaalsContact C-N 3.31Å; N110-E112 PolarHBondContact O-N 3.32Å; N110-R113 WeakPolarHBondContact O-CB 3.48Å; N110-R113 PolarHBondContact O-N 3.5Å; N110-R113 VanDerWaalsContact O-N 3.15Å; N110-Q114 PolarHBondContact O-N 2.86Å; N110-Q114 PolarHBondContact OD1-NE2 3.32Å
111	V	85.6	Confident	85.5	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-60.1	-41.6	176.1	175.9	0	0	0	0	111	I107 R113 Q114 W115 F178 T179 L182	I107-V111 VanDerWaalsContact O-CG2 3.3Å; I107-V111 WeakPolarHBondContact O-CG2 3.39Å; I107-V111 PolarHBondContact O-N 3.32Å; V111-R113 VanDerWaalsContact C-N 3.3Å; V111-R113 PolarHBondContact O-N 3.13Å; V111-Q114 PolarHBondContact O-N 3.33Å; V111-W115 HydrophobicContact CG1-CE3 3.95Å; V111-W115 HydrophobicContact CG1-CZ3 4.19Å; V111-W115 PolarHBondContact O-N 2.88Å; V111-F178 HydrophobicContact CG1-CD1 3.73Å; V111-F178 HydrophobicContact CG1-CE1 4.32Å; V111-T179 HydrophobicContact CG2-CG2 3.98Å; V111-L182 HydrophobicContact CG1-CD1 4.45Å; V111-L182 HydrophobicContact CG2-CD1 4.07Å
112	E	85.4	Confident	85.7	Confident	79 Å²	79	65.3 Å²	65.3	37%	0.369	31%	0.307	S	S	.	.	H	α-helix	trans	-59.4	-37.5	176.2	-176.6	65.8	-153.9	0	0	112.9	Y108 D109 N110 Q114 W115 K175	Y108-E112 WeakPolarHBondContact O-CB 3.48Å; Y108-E112 PolarHBondContact O-N 2.96Å; D109-E112 PolarHBondContact O-N 3.18Å; N110-E112 VanDerWaalsContact C-N 3.31Å; N110-E112 PolarHBondContact O-N 3.32Å; E112-Q114 VanDerWaalsContact C-N 3.33Å; E112-W115 VanDerWaalsContact O-CB 3.24Å; E112-W115 WeakPolarHBondContact O-CB 3.44Å; E112-W115 PolarHBondContact O-N 2.74Å; E112-K175 WeakPolarHBondContact OE2-CE 3.33Å; E112-K175 IonicContact OE2-NZ 2.58Å; E112-K175 PolarHBondContact OE2-NZ 3.32Å
113	R	83.1	Confident	86	Confident	114 Å²	114	68.8 Å²	68.8	43%	0.43	33%	0.325	S	S	.	.	H	α-helix	trans	-64.5	-41.4	178.3	-74.8	-176.8	-71.6	-120	6.8	111.4	E58 D109 N110 V111	E58-R113 IonicContact OE1-CZ 2.68Å; E58-R113 IonicContact OE1-NH1 3.32Å; E58-R113 PolarHBondContact OE1-NH1 2.92Å; D109-R113 WeakPolarHBondContact O-CG 3.48Å; D109-R113 PolarHBondContact O-N 3.31Å; D109-R113 VanDerWaalsContact O-N 3.13Å; N110-R113 WeakPolarHBondContact O-CB 3.48Å; N110-R113 PolarHBondContact O-N 3.5Å; N110-R113 VanDerWaalsContact O-N 3.15Å; V111-R113 VanDerWaalsContact C-N 3.3Å; V111-R113 PolarHBondContact O-N 3.13Å
114	Q	81.6	Confident	86.5	Confident	72 Å²	72	77.4 Å²	77.4	34%	0.336	36%	0.357	S	S	.	.	H	α-helix	trans	-78.6	-22	178.5	-58.1	-176.1	24.8	0	0	112.4	N110 V111 E112 K116 D117 F118	N110-Q114 PolarHBondContact O-N 2.86Å; N110-Q114 PolarHBondContact OD1-NE2 3.32Å; V111-Q114 PolarHBondContact O-N 3.33Å; E112-Q114 VanDerWaalsContact C-N 3.33Å; Q114-K116 PolarHBondContact O-N 3.1Å; Q114-K116 VanDerWaalsContact O-N 3.13Å; Q114-D117 WeakPolarHBondContact O-CB 3.25Å; Q114-D117 PolarHBondContact O-N 3.49Å; Q114-F118 HydrophobicContact CB-CD2 4.47Å; Q114-F118 HydrophobicContact CB-CE2 4.28Å; Q114-F118 WeakPolarHBondContact O-CD2 3.2Å
115	W	87.3	Confident	87.1	Confident	19 Å²	19	76.5 Å²	76.5	7%	0.072	36%	0.355	C	S	.	.	H	α-helix	trans	-49.6	-44.1	-176.4	-164	-83	0	0	0	113.4	V111 E112 D117 F118 D119 R124 I126 K175 F178	V111-W115 HydrophobicContact CG1-CE3 3.95Å; V111-W115 HydrophobicContact CG1-CZ3 4.19Å; V111-W115 PolarHBondContact O-N 2.88Å; E112-W115 VanDerWaalsContact O-CB 3.24Å; E112-W115 WeakPolarHBondContact O-CB 3.44Å; E112-W115 PolarHBondContact O-N 2.74Å; W115-D117 PolarHBondContact O-N 2.95Å; W115-F118 PolarHBondContact O-N 3.34Å; W115-D119 PolarHBondContact O-N 3.49Å; W115-R124 WeakPolarHBondContact CZ2-O 3.45Å; W115-I126 HydrophobicContact CD2-CD1 3.89Å; W115-I126 HydrophobicContact CE3-CD1 3.81Å; W115-I126 HydrophobicContact CG-CD1 4.49Å; W115-I126 HydrophobicContact CH2-CD1 3.98Å; W115-I126 HydrophobicContact CH2-CG1 4.23Å; W115-I126 HydrophobicContact CZ2-CD1 4.08Å; W115-I126 HydrophobicContact CZ2-CG1 4.01Å; W115-I126 HydrophobicContact CZ3-CD1 3.85Å; W115-K175 HydrophobicContact CE3-CG 4.09Å; W115-K175 VanDerWaalsContact CH2-CA 3.42Å; W115-K175 HydrophobicContact CH2-CB 3.89Å; W115-K175 HydrophobicContact CH2-CG 4.17Å; W115-K175 HydrophobicContact CZ3-CB 3.9Å; W115-K175 HydrophobicContact CZ3-CG 3.68Å; W115-F178 HydrophobicContact CE3-CD1 4.05Å; W115-F178 HydrophobicContact CH2-CB 4.16Å; W115-F178 HydrophobicContact CZ3-CB 3.77Å; W115-F178 AromaticContact CZ3-CD1 3.76Å; W115-F178 HydrophobicContact CZ3-CD1 3.76Å; W115-F178 HydrophobicContact CZ3-CG 4.08Å
116	K	86.4	Confident	87.6	Confident	163 Å²	163	71.7 Å²	71.7	71%	0.709	33%	0.334	S	S	*	.	H	α-helix	trans	-68.4	-22.3	-176.7	-66.1	177.4	-176.3	166.8	0	113.7	Q114	Q114-K116 PolarHBondContact O-N 3.1Å; Q114-K116 VanDerWaalsContact O-N 3.13Å
117	D	88.1	Confident	88.3	Confident	108 Å²	108	69.2 Å²	69.2	58%	0.578	33%	0.328	S	S	*	.	H	α-helix	trans	-79.8	-26.4	178.9	-62.1	-24.6	0	0	0	110.8	Q114 W115 V134	Q114-D117 WeakPolarHBondContact O-CB 3.25Å; Q114-D117 PolarHBondContact O-N 3.49Å; W115-D117 PolarHBondContact O-N 2.95Å; D117-V134 WeakPolarHBondContact O-CG2 3.43Å
118	F	89.8	Confident	89	Confident	22 Å²	22	68.8 Å²	68.8	10%	0.096	33%	0.326	C	S	.	.	H	α-helix	trans	-97.2	-36.3	-179.2	-67.5	-71.5	0	0	0	114.1	Q114 W115 L120 I126 E130 Y131 V134 F178	Q114-F118 HydrophobicContact CB-CD2 4.47Å; Q114-F118 HydrophobicContact CB-CE2 4.28Å; Q114-F118 WeakPolarHBondContact O-CD2 3.2Å; W115-F118 PolarHBondContact O-N 3.34Å; F118-L120 VanDerWaalsContact C-N 3.26Å; F118-L120 PolarHBondContact O-N 2.82Å; F118-I126 HydrophobicContact CB-CD1 3.73Å; F118-I126 HydrophobicContact CB-CG1 4.07Å; F118-I126 HydrophobicContact CB-CG2 4.16Å; F118-E130 WeakPolarHBondContact O-CB 3.33Å; F118-Y131 AromaticContact CD1-CD2 3.82Å; F118-Y131 HydrophobicContact CD1-CD2 3.82Å; F118-Y131 AromaticContact CE1-CD2 3.52Å; F118-Y131 HydrophobicContact CE1-CD2 3.52Å; F118-Y131 AromaticContact CE1-CE2 3.8Å; F118-Y131 HydrophobicContact CE1-CE2 3.8Å; F118-Y131 HydrophobicContact CE1-CG 4.48Å; F118-Y131 HydrophobicContact CZ-CD2 4.08Å; F118-Y131 AromaticContact CZ-CE2 3.98Å; F118-Y131 HydrophobicContact CZ-CE2 3.98Å; F118-V134 HydrophobicContact CD1-CB 3.69Å; F118-V134 HydrophobicContact CD1-CG1 3.71Å; F118-V134 HydrophobicContact CD1-CG2 4.11Å; F118-V134 HydrophobicContact CE1-CB 3.78Å; F118-V134 HydrophobicContact CE1-CG1 3.51Å; F118-V134 HydrophobicContact CZ-CG1 4.29Å; F118-F178 HydrophobicContact CD2-CE1 4.22Å; F118-F178 AromaticContact CD2-CZ 3.85Å; F118-F178 HydrophobicContact CD2-CZ 3.85Å; F118-F178 HydrophobicContact CE2-CZ 4.16Å; F118-F178 HydrophobicContact CG-CZ 4.2Å
119	D	92.4	Very high	89.5	Confident	13 Å²	13	71.2 Å²	71.2	7%	0.07	34%	0.338	C	S	.	.			trans	-75.3	74.8	177.5	-178.5	6.4	0	0	0	111.3	W115 N121 N122 D123 R124	W115-D119 PolarHBondContact O-N 3.49Å; D119-N121 VanDerWaalsContact C-N 3.3Å; D119-N121 PolarHBondContact O-N 3.47Å; D119-N122 WeakPolarHBondContact OD1-CA 3.36Å; D119-N122 PolarHBondContact OD1-N 3.1Å; D119-N122 WeakPolarHBondContact OD2-CA 3.49Å; D119-D123 PolarHBondContact OD1-N 3.3Å; D119-D123 VanDerWaalsContact OD1-N 3.16Å; D119-R124 VanDerWaalsContact OD2-CA 3.23Å; D119-R124 WeakPolarHBondContact OD2-CA 3.18Å; D119-R124 PolarHBondContact OD2-N 2.89Å
120	L	90.3	Very high	90	Very high	97 Å²	97	69.1 Å²	69.1	51%	0.508	33%	0.327	S	S	.	.	S	Bend	trans	-67.6	-32.8	-175.8	-62.4	-179	0	0	0	112.2	F118 N122 E130 V134	F118-L120 VanDerWaalsContact C-N 3.26Å; F118-L120 PolarHBondContact O-N 2.82Å; L120-N122 PolarHBondContact O-ND2 3.17Å; L120-E130 HydrophobicContact CB-CG 4.36Å; L120-E130 HydrophobicContact CD1-CG 4.49Å; L120-E130 HydrophobicContact CG-CG 4.48Å; L120-V134 HydrophobicContact CD1-CG2 4.04Å; L120-V134 HydrophobicContact CD2-CG2 4.07Å; L120-V134 HydrophobicContact CG-CG2 4.18Å
121	N	92.3	Very high	90.6	Very high	87 Å²	87	68.2 Å²	68.2	47%	0.465	32%	0.32	S	S	.	.	S	Bend	trans	-91.5	-10.6	-174.9	83.9	42	0	0	0	113	D119 D123 E130	D119-N121 VanDerWaalsContact C-N 3.3Å; D119-N121 PolarHBondContact O-N 3.47Å; N121-D123 PolarHBondContact ND2-OD2 3.38Å; N121-D123 WeakPolarHBondContact OD1-CA 3.48Å; N121-D123 WeakPolarHBondContact OD1-CB 3.1Å; N121-D123 PolarHBondContact OD1-N 3.37Å; N121-D123 PolarHBondContact OD1-OD1 3.08Å; N121-D123 PolarHBondContact OD1-OD2 3.06Å; N121-D123 VanDerWaalsContact OD1-OD2 3.09Å; N121-E130 WeakPolarHBondContact CB-OE1 3.28Å; N121-E130 PolarHBondContact N-OE1 3.34Å; N121-E130 PolarHBondContact ND2-OE1 3.22Å
122	N	91.8	Very high	90.9	Very high	132 Å²	132	70.1 Å²	70.1	71%	0.706	33%	0.329	S	S	*	.			trans	63.2	32.8	-178.7	-59.7	-99.2	0	0	0	114.5	D119 L120 R124	D119-N122 WeakPolarHBondContact OD1-CA 3.36Å; D119-N122 PolarHBondContact OD1-N 3.1Å; D119-N122 WeakPolarHBondContact OD2-CA 3.49Å; L120-N122 PolarHBondContact O-ND2 3.17Å; N122-R124 VanDerWaalsContact C-N 3.3Å
123	D	92.6	Very high	91.2	Very high	81 Å²	81	70.3 Å²	70.3	43%	0.433	33%	0.332	S	S	.	.	S	Bend	trans	-86.7	-0.9	174.9	68.2	13.5	0	0	0	113.3	D119 N121 M125	D119-D123 PolarHBondContact OD1-N 3.3Å; D119-D123 VanDerWaalsContact OD1-N 3.16Å; N121-D123 PolarHBondContact ND2-OD2 3.38Å; N121-D123 WeakPolarHBondContact OD1-CA 3.48Å; N121-D123 WeakPolarHBondContact OD1-CB 3.1Å; N121-D123 PolarHBondContact OD1-N 3.37Å; N121-D123 PolarHBondContact OD1-OD1 3.08Å; N121-D123 PolarHBondContact OD1-OD2 3.06Å; N121-D123 VanDerWaalsContact OD1-OD2 3.09Å; D123-M125 WeakPolarHBondContact OD1-CA 3.41Å; D123-M125 WeakPolarHBondContact OD1-CB 3.49Å; D123-M125 PolarHBondContact OD1-N 3.23Å
124	R	91.6	Very high	91.5	Very high	205 Å²	205	67.7 Å²	67.7	77%	0.774	33%	0.329	S	S	*	.	S	Bend	trans	68.7	18.8	-178	-52.1	176.9	165.8	-172.8	-7.4	114.3	W115 D119 N122	W115-R124 WeakPolarHBondContact CZ2-O 3.45Å; D119-R124 VanDerWaalsContact OD2-CA 3.23Å; D119-R124 WeakPolarHBondContact OD2-CA 3.18Å; D119-R124 PolarHBondContact OD2-N 2.89Å; N122-R124 VanDerWaalsContact C-N 3.3Å
125	M	94	Very high	91.8	Very high	80 Å²	80	66.4 Å²	66.4	39%	0.394	33%	0.326	S	S	.	.	S	Bend	trans	-125.2	167	169.7	-58.1	-60.1	-164.3	0	0	108.9	D123 I172 D174	D123-M125 WeakPolarHBondContact OD1-CA 3.41Å; D123-M125 WeakPolarHBondContact OD1-CB 3.49Å; D123-M125 PolarHBondContact OD1-N 3.23Å; M125-I172 HydrophobicContact CB-CG2 3.39Å; M125-I172 HydrophobicContact CG-CG2 4.05Å; M125-D174 HydrophobicContact CE-CB 4.22Å; M125-D174 HydrophobicContact SD-CB 3.83Å
126	I	95.4	Very high	91.8	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	109.1	174.8	-65	169.7	0	0	0	107.6	W115 F118 F162 A173 F178	W115-I126 HydrophobicContact CD2-CD1 3.89Å; W115-I126 HydrophobicContact CE3-CD1 3.81Å; W115-I126 HydrophobicContact CG-CD1 4.49Å; W115-I126 HydrophobicContact CH2-CD1 3.98Å; W115-I126 HydrophobicContact CH2-CG1 4.23Å; W115-I126 HydrophobicContact CZ2-CD1 4.08Å; W115-I126 HydrophobicContact CZ2-CG1 4.01Å; W115-I126 HydrophobicContact CZ3-CD1 3.85Å; F118-I126 HydrophobicContact CB-CD1 3.73Å; F118-I126 HydrophobicContact CB-CG1 4.07Å; F118-I126 HydrophobicContact CB-CG2 4.16Å; I126-F162 WeakPolarHBondContact O-CZ 3.47Å; I126-A173 PolarHBondContact N-O 3.35Å; I126-A173 PolarHBondContact O-N 3.3Å; I126-F178 HydrophobicContact CB-CD2 4.27Å; I126-F178 HydrophobicContact CB-CE2 4.46Å; I126-F178 HydrophobicContact CD1-CD1 3.54Å; I126-F178 HydrophobicContact CD1-CD2 3.94Å; I126-F178 HydrophobicContact CD1-CE1 3.5Å; I126-F178 VanDerWaalsContact CD1-CE1 3.5Å; I126-F178 HydrophobicContact CD1-CE2 3.91Å; I126-F178 HydrophobicContact CD1-CG 3.76Å; I126-F178 HydrophobicContact CD1-CZ 3.7Å; I126-F178 HydrophobicContact CG2-CD2 4.12Å; I126-F178 HydrophobicContact CG2-CE2 3.9Å
127	S	96.7	Very high	91.5	Very high	27 Å²	27	58.8 Å²	58.8	19%	0.189	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	153.4	170.5	65	0	0	0	0	111.3	E129 E130 Y131	S127-E129 PolarHBondContact O-N 2.88Å; S127-E130 WeakPolarHBondContact CB-OE2 3.49Å; S127-E130 PolarHBondContact N-OE2 2.96Å; S127-E130 WeakPolarHBondContact O-CB 3.47Å; S127-E130 PolarHBondContact O-N 3.25Å; S127-E130 WeakPolarHBondContact OG-CG 3.2Å; S127-E130 PolarHBondContact OG-N 3.45Å; S127-E130 PolarHBondContact OG-OE2 3.12Å; S127-Y131 PolarHBondContact O-N 3.18Å; S127-Y131 VanDerWaalsContact O-N 3.08Å
128	W	95.9	Very high	90.7	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.015	30%	0.3	C	S	.	.	H	α-helix	trans	-53.5	-38.7	171.7	170.5	-114.9	0	0	0	112.6	E130 Y131 K132 M155 D158 E159 F162 H171	W128-E130 VanDerWaalsContact C-N 3.34Å; W128-E130 PolarHBondContact O-N 3.28Å; W128-Y131 HydrophobicContact CE3-CD1 4.06Å; W128-Y131 HydrophobicContact CH2-CD1 4.29Å; W128-Y131 AromaticContact CZ3-CD1 3.61Å; W128-Y131 HydrophobicContact CZ3-CD1 3.61Å; W128-Y131 HydrophobicContact CZ3-CE1 4.05Å; W128-Y131 PolarHBondContact O-N 3.26Å; W128-K132 HydrophobicContact CZ2-CB 4.36Å; W128-K132 HydrophobicContact CZ2-CD 4.34Å; W128-K132 WeakPolarHBondContact O-CB 3.35Å; W128-K132 PolarHBondContact O-N 2.76Å; W128-M155 HydrophobicContact CH2-CG 4.34Å; W128-M155 WeakPolarHBondContact CH2-O 3.47Å; W128-M155 HydrophobicContact CZ2-CG 3.86Å; W128-D158 HydrophobicContact CH2-CB 3.81Å; W128-D158 HydrophobicContact CZ3-CB 4.03Å; W128-E159 HydrophobicContact CD2-CB 4.37Å; W128-E159 HydrophobicContact CD2-CG 4.01Å; W128-E159 VanDerWaalsContact CH2-CA 3.4Å; W128-E159 HydrophobicContact CH2-CB 3.59Å; W128-E159 HydrophobicContact CH2-CG 4.28Å; W128-E159 HydrophobicContact CZ2-CB 3.38Å; W128-E159 HydrophobicContact CZ2-CG 3.74Å; W128-E159 HydrophobicContact CZ3-CB 4.15Å; W128-F162 HydrophobicContact CB-CD1 4.26Å; W128-F162 HydrophobicContact CB-CE1 4.11Å; W128-F162 HydrophobicContact CB-CZ 4.44Å; W128-F162 HydrophobicContact CE3-CB 3.86Å; W128-F162 HydrophobicContact CE3-CD1 4.38Å; W128-F162 AromaticContact CE3-CD2 4Å; W128-F162 HydrophobicContact CE3-CD2 4Å; W128-F162 AromaticContact CE3-CG 3.82Å; W128-F162 HydrophobicContact CE3-CG 3.82Å; W128-F162 HydrophobicContact CZ3-CB 4.1Å; W128-F162 HydrophobicContact CZ3-CG 4.47Å; W128-H171 VanDerWaalsContact CB-CD2 3.4Å; W128-H171 WeakPolarHBondContact CB-CD2 3.48Å; W128-H171 WeakPolarHBondContact CB-NE2 3.47Å; W128-H171 AromaticContact CD1-CD2 3.97Å; W128-H171 AromaticContact CD1-NE2 3.17Å; W128-H171 AromaticContact CG-CD2 3.95Å; W128-H171 AromaticContact CG-CE1 3.82Å; W128-H171 AromaticContact CG-NE2 3.23Å; W128-H171 PolarHBondContact N-O 3.32Å
129	E	94.3	Very high	89.8	Confident	93 Å²	93	62.6 Å²	62.6	44%	0.435	32%	0.315	S	S	.	.	H	α-helix	trans	-67.3	-34.3	179.4	-69.4	-61.1	150.2	0	0	112.3	S127 K132 N133	S127-E129 PolarHBondContact O-N 2.88Å; E129-K132 IonicContact OE1-NZ 3.43Å; E129-K132 PolarHBondContact OE1-NZ 2.9Å; E129-K132 IonicContact OE2-NZ 2.73Å; E129-K132 PolarHBondContact OE2-NZ 3.4Å; E129-N133 VanDerWaalsContact O-CB 3.28Å; E129-N133 WeakPolarHBondContact O-CB 3.34Å; E129-N133 PolarHBondContact O-N 2.92Å; E129-N133 PolarHBondContact O-ND2 3.24Å
130	E	94.5	Very high	88.6	Confident	13 Å²	13	66.3 Å²	66.3	6%	0.061	34%	0.335	C	S	.	.	H	α-helix	trans	-65.9	-50.7	172.9	-80.2	163.4	143.8	0	0	111.6	F118 L120 N121 S127 W128 K132 N133 V134	F118-E130 WeakPolarHBondContact O-CB 3.33Å; L120-E130 HydrophobicContact CB-CG 4.36Å; L120-E130 HydrophobicContact CD1-CG 4.49Å; L120-E130 HydrophobicContact CG-CG 4.48Å; N121-E130 WeakPolarHBondContact CB-OE1 3.28Å; N121-E130 PolarHBondContact N-OE1 3.34Å; N121-E130 PolarHBondContact ND2-OE1 3.22Å; S127-E130 WeakPolarHBondContact CB-OE2 3.49Å; S127-E130 PolarHBondContact N-OE2 2.96Å; S127-E130 WeakPolarHBondContact O-CB 3.47Å; S127-E130 PolarHBondContact O-N 3.25Å; S127-E130 WeakPolarHBondContact OG-CG 3.2Å; S127-E130 PolarHBondContact OG-N 3.45Å; S127-E130 PolarHBondContact OG-OE2 3.12Å; W128-E130 VanDerWaalsContact C-N 3.34Å; W128-E130 PolarHBondContact O-N 3.28Å; E130-K132 VanDerWaalsContact C-N 3.31Å; E130-K132 PolarHBondContact O-N 3.28Å; E130-N133 PolarHBondContact O-N 3.13Å; E130-V134 WeakPolarHBondContact O-CG2 3.49Å; E130-V134 PolarHBondContact O-N 2.99Å
131	Y	94.1	Very high	87.5	Confident	23 Å²	23	68.7 Å²	68.7	9%	0.09	35%	0.348	C	S	.	.	H	α-helix	trans	-55.2	-49.2	175.2	179	-97.4	0	0	0	111.3	F118 S127 W128 N133 V134 T135 Y136 D158 F178 F181	F118-Y131 AromaticContact CD1-CD2 3.82Å; F118-Y131 HydrophobicContact CD1-CD2 3.82Å; F118-Y131 AromaticContact CE1-CD2 3.52Å; F118-Y131 HydrophobicContact CE1-CD2 3.52Å; F118-Y131 AromaticContact CE1-CE2 3.8Å; F118-Y131 HydrophobicContact CE1-CE2 3.8Å; F118-Y131 HydrophobicContact CE1-CG 4.48Å; F118-Y131 HydrophobicContact CZ-CD2 4.08Å; F118-Y131 AromaticContact CZ-CE2 3.98Å; F118-Y131 HydrophobicContact CZ-CE2 3.98Å; S127-Y131 PolarHBondContact O-N 3.18Å; S127-Y131 VanDerWaalsContact O-N 3.08Å; W128-Y131 HydrophobicContact CE3-CD1 4.06Å; W128-Y131 HydrophobicContact CH2-CD1 4.29Å; W128-Y131 AromaticContact CZ3-CD1 3.61Å; W128-Y131 HydrophobicContact CZ3-CD1 3.61Å; W128-Y131 HydrophobicContact CZ3-CE1 4.05Å; W128-Y131 PolarHBondContact O-N 3.26Å; Y131-N133 VanDerWaalsContact C-N 3.34Å; Y131-N133 PolarHBondContact O-N 3.45Å; Y131-V134 PolarHBondContact O-N 3.12Å; Y131-T135 HydrophobicContact CE1-CG2 4.4Å; Y131-T135 WeakPolarHBondContact CE2-OG1 3.36Å; Y131-T135 WeakPolarHBondContact O-CB 3.44Å; Y131-T135 PolarHBondContact O-N 2.85Å; Y131-T135 PolarHBondContact O-OG1 3.43Å; Y131-T135 VanDerWaalsContact O-OG1 3.06Å; Y131-Y136 HydrophobicContact CE1-CE2 4.25Å; Y131-D158 HydrophobicContact CE1-CB 4.34Å; Y131-D158 PolarHBondContact OH-OD2 3.14Å; Y131-F178 AromaticContact CD2-CE2 3.93Å; Y131-F178 HydrophobicContact CD2-CE2 3.93Å; Y131-F178 HydrophobicContact CD2-CZ 4.2Å; Y131-F178 HydrophobicContact CE2-CE2 4.47Å; Y131-F181 HydrophobicContact CD1-CE1 4.46Å; Y131-F181 HydrophobicContact CD1-CZ 4.31Å; Y131-F181 HydrophobicContact CD2-CE1 4.02Å; Y131-F181 HydrophobicContact CE1-CE1 4.03Å; Y131-F181 AromaticContact CE1-CZ 3.69Å; Y131-F181 HydrophobicContact CE1-CZ 3.69Å; Y131-F181 AromaticContact CE2-CE1 3.53Å; Y131-F181 HydrophobicContact CE2-CE1 3.53Å; Y131-F181 HydrophobicContact CE2-CZ 4.05Å; Y131-F181 HydrophobicContact CG-CE1 4.45Å; Y131-F181 AromaticContact CZ-CE1 3.52Å; Y131-F181 AromaticContact CZ-CZ 3.52Å
132	K	92.4	Very high	86.3	Confident	41 Å²	41	69.9 Å²	69.9	18%	0.178	35%	0.354	C	S	.	.	H	α-helix	trans	-61.2	-40.6	-179.8	174.3	177.2	148.9	-137.8	0	112.5	W128 E129 E130 Y136 G137 M155	W128-K132 HydrophobicContact CZ2-CB 4.36Å; W128-K132 HydrophobicContact CZ2-CD 4.34Å; W128-K132 WeakPolarHBondContact O-CB 3.35Å; W128-K132 PolarHBondContact O-N 2.76Å; E129-K132 IonicContact OE1-NZ 3.43Å; E129-K132 PolarHBondContact OE1-NZ 2.9Å; E129-K132 IonicContact OE2-NZ 2.73Å; E129-K132 PolarHBondContact OE2-NZ 3.4Å; E130-K132 VanDerWaalsContact C-N 3.31Å; E130-K132 PolarHBondContact O-N 3.28Å; K132-Y136 HydrophobicContact CG-CD2 4.43Å; K132-Y136 WeakPolarHBondContact O-CA 3.24Å; K132-Y136 VanDerWaalsContact O-CB 3.28Å; K132-Y136 WeakPolarHBondContact O-CB 3.48Å; K132-Y136 PolarHBondContact O-N 3.44Å; K132-G137 PolarHBondContact O-N 3.44Å; K132-M155 HydrophobicContact CD-SD 3.99Å; K132-M155 HydrophobicContact CG-CE 4.28Å; K132-M155 HydrophobicContact CG-SD 4.26Å
133	N	90.2	Very high	84.8	Confident	82 Å²	82	68.3 Å²	68.3	44%	0.439	35%	0.351	S	S	.	.	H	α-helix	trans	-68.1	-39.7	178.8	-74.3	-28.7	0	0	0	112	E129 E130 Y131 G137	E129-N133 VanDerWaalsContact O-CB 3.28Å; E129-N133 WeakPolarHBondContact O-CB 3.34Å; E129-N133 PolarHBondContact O-N 2.92Å; E129-N133 PolarHBondContact O-ND2 3.24Å; E130-N133 PolarHBondContact O-N 3.13Å; Y131-N133 VanDerWaalsContact C-N 3.34Å; Y131-N133 PolarHBondContact O-N 3.45Å; N133-G137 WeakPolarHBondContact O-CA 3.38Å; N133-G137 PolarHBondContact O-N 2.91Å
134	V	89.9	Confident	83.3	Confident	59 Å²	59	71.3 Å²	71.3	36%	0.358	36%	0.362	S	S	.	.	H	α-helix	trans	-71.4	-44.9	179.1	174.8	0	0	0	0	111.2	D117 F118 L120 E130 Y131	D117-V134 WeakPolarHBondContact O-CG2 3.43Å; F118-V134 HydrophobicContact CD1-CB 3.69Å; F118-V134 HydrophobicContact CD1-CG1 3.71Å; F118-V134 HydrophobicContact CD1-CG2 4.11Å; F118-V134 HydrophobicContact CE1-CB 3.78Å; F118-V134 HydrophobicContact CE1-CG1 3.51Å; F118-V134 HydrophobicContact CZ-CG1 4.29Å; L120-V134 HydrophobicContact CD1-CG2 4.04Å; L120-V134 HydrophobicContact CD2-CG2 4.07Å; L120-V134 HydrophobicContact CG-CG2 4.18Å; E130-V134 WeakPolarHBondContact O-CG2 3.49Å; E130-V134 PolarHBondContact O-N 2.99Å; Y131-V134 PolarHBondContact O-N 3.12Å
135	T	88	Confident	81.5	Confident	45 Å²	45	67.8 Å²	67.8	28%	0.276	37%	0.366	S	S	.	.	H	α-helix	trans	-79.7	-38.8	-175.5	-54.7	0	0	0	0	112.7	Y131	Y131-T135 HydrophobicContact CE1-CG2 4.4Å; Y131-T135 WeakPolarHBondContact CE2-OG1 3.36Å; Y131-T135 WeakPolarHBondContact O-CB 3.44Å; Y131-T135 PolarHBondContact O-N 2.85Å; Y131-T135 PolarHBondContact O-OG1 3.43Å; Y131-T135 VanDerWaalsContact O-OG1 3.06Å
136	Y	87.2	Confident	79.6	Confident	9 Å²	9	71.4 Å²	71.4	4%	0.035	39%	0.387	C	S	.	.	H	α-helix	trans	-118.5	-5.1	-170.3	-58.7	-74.5	0	0	0	114.8	Y131 K132 T138 Y139 L140 M154 M155 D158	Y131-Y136 HydrophobicContact CE1-CE2 4.25Å; K132-Y136 HydrophobicContact CG-CD2 4.43Å; K132-Y136 WeakPolarHBondContact O-CA 3.24Å; K132-Y136 VanDerWaalsContact O-CB 3.28Å; K132-Y136 WeakPolarHBondContact O-CB 3.48Å; K132-Y136 PolarHBondContact O-N 3.44Å; Y136-T138 VanDerWaalsContact C-N 3.29Å; Y136-T138 PolarHBondContact O-N 2.84Å; Y136-Y139 PolarHBondContact O-N 2.67Å; Y136-L140 PolarHBondContact O-N 2.64Å; Y136-L140 VanDerWaalsContact O-N 3.1Å; Y136-M154 HydrophobicContact CE1-CB 4.48Å; Y136-M155 HydrophobicContact CD1-CE 4.16Å; Y136-M155 HydrophobicContact CD2-CB 4.4Å; Y136-M155 HydrophobicContact CD2-CE 3.96Å; Y136-M155 HydrophobicContact CD2-CG 4.2Å; Y136-M155 HydrophobicContact CE1-CB 4.36Å; Y136-M155 HydrophobicContact CE2-CB 4.15Å; Y136-M155 HydrophobicContact CE2-CG 4.22Å; Y136-M155 HydrophobicContact CG-CE 3.64Å; Y136-D158 PolarHBondContact OH-OD2 2.78Å
137	G	80.6	Confident	77.5	Confident	14 Å²	14	74.5 Å²	74.5	14%	0.144	40%	0.404	C	S	.	.	H	α-helix	trans	-56.4	-39.5	-173.5	0	0	0	0	0	113.9	K132 N133 Y139 L140 D141	K132-G137 PolarHBondContact O-N 3.44Å; N133-G137 WeakPolarHBondContact O-CA 3.38Å; N133-G137 PolarHBondContact O-N 2.91Å; G137-Y139 VanDerWaalsContact C-N 3.29Å; G137-Y139 PolarHBondContact O-N 3.04Å; G137-L140 PolarHBondContact O-N 2.83Å; G137-D141 PolarHBondContact O-N 3.24Å; G137-D141 VanDerWaalsContact O-N 3.16Å
138	T	71.7	Confident	75.3	Confident	103 Å²	103	77.6 Å²	77.6	63%	0.632	44%	0.44	S	S	*	.	H	α-helix	trans	-63.6	-32.5	178.1	52.9	0	0	0	0	113.3	Y136 D142	Y136-T138 VanDerWaalsContact C-N 3.29Å; Y136-T138 PolarHBondContact O-N 2.84Å; T138-D142 PolarHBondContact O-N 3.32Å
139	Y	69.7	Low	73.5	Confident	107 Å²	107	84.8 Å²	84.8	42%	0.42	47%	0.468	S	S	.	.	H	α-helix	trans	-84.6	-25.1	179.7	-57	-78.9	0	0	0	112.6	Y136 G137 D141 Y151	Y136-Y139 PolarHBondContact O-N 2.67Å; G137-Y139 VanDerWaalsContact C-N 3.29Å; G137-Y139 PolarHBondContact O-N 3.04Å; Y139-D141 VanDerWaalsContact C-N 3.35Å; Y139-Y151 HydrophobicContact CD1-CD1 4.2Å; Y139-Y151 HydrophobicContact CD1-CD2 4.34Å; Y139-Y151 AromaticContact CD1-CE1 3.76Å; Y139-Y151 HydrophobicContact CD1-CE1 3.76Å; Y139-Y151 AromaticContact CD1-CE2 3.93Å; Y139-Y151 HydrophobicContact CD1-CE2 3.93Å; Y139-Y151 HydrophobicContact CD1-CG 4.48Å; Y139-Y151 AromaticContact CD1-CZ 3.62Å; Y139-Y151 HydrophobicContact CD2-CD1 4.27Å; Y139-Y151 HydrophobicContact CD2-CE1 4.25Å; Y139-Y151 HydrophobicContact CE1-CD1 4.31Å; Y139-Y151 AromaticContact CE1-CE1 3.47Å; Y139-Y151 HydrophobicContact CE1-CE1 3.47Å; Y139-Y151 VanDerWaalsContact CE1-CE1 3.47Å; Y139-Y151 HydrophobicContact CE1-CE2 4.11Å; Y139-Y151 AromaticContact CE1-CZ 3.35Å; Y139-Y151 WeakPolarHBondContact CE1-OH 3.22Å; Y139-Y151 HydrophobicContact CE2-CD1 4.37Å; Y139-Y151 AromaticContact CE2-CE1 3.99Å; Y139-Y151 HydrophobicContact CE2-CE1 3.99Å; Y139-Y151 HydrophobicContact CG-CD1 4.17Å; Y139-Y151 HydrophobicContact CG-CE1 4.14Å; Y139-Y151 HydrophobicContact CG-CG 4.47Å; Y139-Y151 AromaticContact CZ-CE1 3.58Å; Y139-Y151 AromaticContact CZ-CZ 3.94Å
140	L	67.1	Low	72.5	Confident	91 Å²	91	84 Å²	84	48%	0.476	47%	0.467	S	S	.	.	H	α-helix	trans	-72.3	-32.1	173	-68.9	174.7	0	0	0	111.8	Y136 G137 M155	Y136-L140 PolarHBondContact O-N 2.64Å; Y136-L140 VanDerWaalsContact O-N 3.1Å; G137-L140 PolarHBondContact O-N 2.83Å; L140-M155 HydrophobicContact CD1-CE 4.49Å; L140-M155 HydrophobicContact CD2-CE 4.2Å; L140-M155 HydrophobicContact CG-CE 4.49Å
141	D	67.2	Low	71.6	Confident	147 Å²	147	85.9 Å²	85.9	79%	0.786	47%	0.474	S	S	*	.	H	α-helix	trans	-80.3	-30.3	-178.1	-76	-18	0	0	0	113.6	G137 Y139	G137-D141 PolarHBondContact O-N 3.24Å; G137-D141 VanDerWaalsContact O-N 3.16Å; Y139-D141 VanDerWaalsContact C-N 3.35Å
142	D	66.6	Low	71.1	Confident	112 Å²	112	93.1 Å²	93.1	60%	0.599	51%	0.506	S	S	*	.	S	Bend	trans	-136.7	88.2	175.1	-160.7	7.2	0	0	0	111.3	T138 E144	T138-D142 PolarHBondContact O-N 3.32Å; D142-E144 VanDerWaalsContact C-N 3.31Å; D142-E144 PolarHBondContact O-N 2.98Å
143	P	61.9	Low	70.7	Confident	99 Å²	99	97.4 Å²	97.4	64%	0.643	53%	0.527	S	S	*	.			trans	-73.8	85.9	177.3	29.5	-32.5	0	0	0	109.2
144	E	59.7	Low	70.4	Confident	143 Å²	143	97.4 Å²	97.4	67%	0.668	53%	0.525	S	S	*	.			trans	-58.6	139.7	167.7	-79.1	-161.5	164.1	0	0	109.5	D142 D146	D142-E144 VanDerWaalsContact C-N 3.31Å; D142-E144 PolarHBondContact O-N 2.98Å; E144-D146 PolarHBondContact O-N 3.46Å
145	P	54.7	Low	70.4	Confident	131 Å²	131	96 Å²	96	85%	0.851	52%	0.515	S	S	*	.	S	Bend	trans	-85.9	-1.4	-166	-9.5	28.2	0	0	0	115.6
146	D	54.7	Low	70.6	Confident	157 Å²	157	96.6 Å²	96.6	84%	0.84	52%	0.524	S	S	*	.			trans	-157.7	36.9	-156.2	-156.7	28.9	0	0	0	116.2	E144	E144-D146 PolarHBondContact O-N 3.46Å
147	D	49.6	Very low	70.8	Confident	65 Å²	65	99.1 Å²	99.1	35%	0.348	53%	0.533	S	S	.	.			trans	-99.1	129.3	153.5	61.3	-20.4	0	0	0	108.1	Y149 Y151	D147-Y149 PolarHBondContact O-N 2.75Å; D147-Y151 VanDerWaalsContact OD2-CE2 3.28Å; D147-Y151 WeakPolarHBondContact OD2-CE2 3.38Å; D147-Y151 PolarHBondContact OD2-OH 3.17Å
148	G	51.8	Low	71.4	Confident	92 Å²	92	99.5 Å²	99.5	95%	0.948	53%	0.532	S	S	*	.	S	Bend	trans	-62	17	-179.2	0	0	0	0	0	115.5
149	Y	57.9	Low	72.6	Confident	155 Å²	155	97.2 Å²	97.2	61%	0.608	51%	0.514	S	S	*	.			trans	-89.7	107.6	174.4	-97.3	-94.3	0	0	0	110.2	D147 Y151 M154	D147-Y149 PolarHBondContact O-N 2.75Å; Y149-Y151 VanDerWaalsContact C-N 3.29Å; Y149-Y151 VanDerWaalsContact O-CD2 3.22Å; Y149-Y151 WeakPolarHBondContact O-CD2 3.22Å; Y149-Y151 PolarHBondContact O-N 2.82Å; Y149-M154 HydrophobicContact CD1-SD 3.99Å; Y149-M154 HydrophobicContact CE1-SD 4.38Å
150	N	72.4	Confident	73.8	Confident	75 Å²	75	95.8 Å²	95.8	40%	0.401	51%	0.508	S	S	.	.			trans	-80.8	76.3	177.8	-164.5	-17.3	0	0	0	110.8	K152 Q153 M154	N150-K152 PolarHBondContact O-N 3.04Å; N150-Q153 HydrophobicContact CB-CB 4.13Å; N150-Q153 HydrophobicContact CB-CG 4.18Å; N150-Q153 VanDerWaalsContact CB-OE1 3.25Å; N150-Q153 VanDerWaalsContact CG-OE1 3.32Å; N150-Q153 VanDerWaalsContact ND2-CG 3.33Å; N150-Q153 WeakPolarHBondContact ND2-CG 3.3Å; N150-Q153 PolarHBondContact ND2-NE2 2.98Å; N150-Q153 PolarHBondContact ND2-OE1 2.93Å; N150-Q153 WeakPolarHBondContact O-CB 3.47Å; N150-Q153 PolarHBondContact O-N 3.09Å; N150-Q153 PolarHBondContact OD1-N 3.45Å; N150-M154 PolarHBondContact O-N 2.86Å
151	Y	76.6	Confident	75.2	Confident	53 Å²	53	93.5 Å²	93.5	21%	0.208	49%	0.493	C	S	.	.	H	α-helix	trans	-53.3	-27.6	178.9	-62.5	-80.4	0	0	0	113.3	Y139 D147 Y149 M154 M155	Y139-Y151 HydrophobicContact CD1-CD1 4.2Å; Y139-Y151 HydrophobicContact CD1-CD2 4.34Å; Y139-Y151 AromaticContact CD1-CE1 3.76Å; Y139-Y151 HydrophobicContact CD1-CE1 3.76Å; Y139-Y151 AromaticContact CD1-CE2 3.93Å; Y139-Y151 HydrophobicContact CD1-CE2 3.93Å; Y139-Y151 HydrophobicContact CD1-CG 4.48Å; Y139-Y151 AromaticContact CD1-CZ 3.62Å; Y139-Y151 HydrophobicContact CD2-CD1 4.27Å; Y139-Y151 HydrophobicContact CD2-CE1 4.25Å; Y139-Y151 HydrophobicContact CE1-CD1 4.31Å; Y139-Y151 AromaticContact CE1-CE1 3.47Å; Y139-Y151 HydrophobicContact CE1-CE1 3.47Å; Y139-Y151 VanDerWaalsContact CE1-CE1 3.47Å; Y139-Y151 HydrophobicContact CE1-CE2 4.11Å; Y139-Y151 AromaticContact CE1-CZ 3.35Å; Y139-Y151 WeakPolarHBondContact CE1-OH 3.22Å; Y139-Y151 HydrophobicContact CE2-CD1 4.37Å; Y139-Y151 AromaticContact CE2-CE1 3.99Å; Y139-Y151 HydrophobicContact CE2-CE1 3.99Å; Y139-Y151 HydrophobicContact CG-CD1 4.17Å; Y139-Y151 HydrophobicContact CG-CE1 4.14Å; Y139-Y151 HydrophobicContact CG-CG 4.47Å; Y139-Y151 AromaticContact CZ-CE1 3.58Å; Y139-Y151 AromaticContact CZ-CZ 3.94Å; D147-Y151 VanDerWaalsContact OD2-CE2 3.28Å; D147-Y151 WeakPolarHBondContact OD2-CE2 3.38Å; D147-Y151 PolarHBondContact OD2-OH 3.17Å; Y149-Y151 VanDerWaalsContact C-N 3.29Å; Y149-Y151 VanDerWaalsContact O-CD2 3.22Å; Y149-Y151 WeakPolarHBondContact O-CD2 3.22Å; Y149-Y151 PolarHBondContact O-N 2.82Å; Y151-M154 PolarHBondContact O-N 2.96Å; Y151-M155 VanDerWaalsContact O-CB 3.28Å; Y151-M155 WeakPolarHBondContact O-CB 3.32Å; Y151-M155 PolarHBondContact O-N 3.32Å
152	K	82.6	Confident	76.6	Confident	175 Å²	175	86.5 Å²	86.5	76%	0.761	46%	0.456	S	S	*	.	H	α-helix	trans	-67.2	-37.6	174.8	-67.3	-178.9	-180	173.9	0	112.6	N150 A156	N150-K152 PolarHBondContact O-N 3.04Å; K152-A156 WeakPolarHBondContact O-CB 3.43Å; K152-A156 PolarHBondContact O-N 2.63Å; K152-A156 VanDerWaalsContact O-N 3.07Å
153	Q	83.6	Confident	78	Confident	132 Å²	132	86.2 Å²	86.2	62%	0.617	45%	0.449	S	S	*	.	H	α-helix	trans	-68.9	-42.7	174.7	-77.4	174.7	-29.1	0	0	110.8	N150 A156 R157	N150-Q153 HydrophobicContact CB-CB 4.13Å; N150-Q153 HydrophobicContact CB-CG 4.18Å; N150-Q153 VanDerWaalsContact CB-OE1 3.25Å; N150-Q153 VanDerWaalsContact CG-OE1 3.32Å; N150-Q153 VanDerWaalsContact ND2-CG 3.33Å; N150-Q153 WeakPolarHBondContact ND2-CG 3.3Å; N150-Q153 PolarHBondContact ND2-NE2 2.98Å; N150-Q153 PolarHBondContact ND2-OE1 2.93Å; N150-Q153 WeakPolarHBondContact O-CB 3.47Å; N150-Q153 PolarHBondContact O-N 3.09Å; N150-Q153 PolarHBondContact OD1-N 3.45Å; Q153-A156 PolarHBondContact O-N 2.82Å; Q153-R157 WeakPolarHBondContact O-CB 3.45Å; Q153-R157 PolarHBondContact O-N 3.1Å
154	M	85.3	Confident	79.7	Confident	81 Å²	81	85.3 Å²	85.3	40%	0.399	44%	0.437	S	S	.	.	H	α-helix	trans	-61	-49	175.9	-65.6	179.4	67	0	0	111.8	Y136 Y149 N150 Y151 A156 R157 D158	Y136-M154 HydrophobicContact CE1-CB 4.48Å; Y149-M154 HydrophobicContact CD1-SD 3.99Å; Y149-M154 HydrophobicContact CE1-SD 4.38Å; N150-M154 PolarHBondContact O-N 2.86Å; Y151-M154 PolarHBondContact O-N 2.96Å; M154-A156 VanDerWaalsContact C-N 3.31Å; M154-A156 PolarHBondContact O-N 2.71Å; M154-R157 WeakPolarHBondContact O-CB 3.46Å; M154-R157 PolarHBondContact O-N 2.88Å; M154-R157 VanDerWaalsContact O-N 3.15Å; M154-D158 PolarHBondContact O-N 3.22Å
155	M	89.9	Confident	81.4	Confident	31 Å²	31	78.7 Å²	78.7	15%	0.153	41%	0.407	C	S	.	.	H	α-helix	trans	-59.7	-41.2	177.2	-177.3	-173.9	-60.3	0	0	112.1	W128 K132 Y136 L140 Y151 D158 E159	W128-M155 HydrophobicContact CH2-CG 4.34Å; W128-M155 WeakPolarHBondContact CH2-O 3.47Å; W128-M155 HydrophobicContact CZ2-CG 3.86Å; K132-M155 HydrophobicContact CD-SD 3.99Å; K132-M155 HydrophobicContact CG-CE 4.28Å; K132-M155 HydrophobicContact CG-SD 4.26Å; Y136-M155 HydrophobicContact CD1-CE 4.16Å; Y136-M155 HydrophobicContact CD2-CB 4.4Å; Y136-M155 HydrophobicContact CD2-CE 3.96Å; Y136-M155 HydrophobicContact CD2-CG 4.2Å; Y136-M155 HydrophobicContact CE1-CB 4.36Å; Y136-M155 HydrophobicContact CE2-CB 4.15Å; Y136-M155 HydrophobicContact CE2-CG 4.22Å; Y136-M155 HydrophobicContact CG-CE 3.64Å; L140-M155 HydrophobicContact CD1-CE 4.49Å; L140-M155 HydrophobicContact CD2-CE 4.2Å; L140-M155 HydrophobicContact CG-CE 4.49Å; Y151-M155 VanDerWaalsContact O-CB 3.28Å; Y151-M155 WeakPolarHBondContact O-CB 3.32Å; Y151-M155 PolarHBondContact O-N 3.32Å; M155-D158 PolarHBondContact O-N 2.96Å; M155-E159 WeakPolarHBondContact O-CB 3.4Å; M155-E159 PolarHBondContact O-N 3.47Å
156	A	90.8	Very high	83.3	Confident	56 Å²	56	73 Å²	73	46%	0.463	37%	0.37	S	S	.	.	H	α-helix	trans	-67.8	-36.3	177.6	0	0	0	0	0	112.6	K152 Q153 M154 R160	K152-A156 WeakPolarHBondContact O-CB 3.43Å; K152-A156 PolarHBondContact O-N 2.63Å; K152-A156 VanDerWaalsContact O-N 3.07Å; Q153-A156 PolarHBondContact O-N 2.82Å; M154-A156 VanDerWaalsContact C-N 3.31Å; M154-A156 PolarHBondContact O-N 2.71Å; A156-R160 WeakPolarHBondContact O-CB 3.36Å; A156-R160 PolarHBondContact O-N 2.99Å
157	R	92.1	Very high	85.2	Confident	63 Å²	63	69 Å²	69	24%	0.238	37%	0.366	C	S	.	.	H	α-helix	trans	-64	-49	174	176.3	174.9	168	175.7	-1.8	110.6	Q153 M154 E159 R160 R161 E197 D201	Q153-R157 WeakPolarHBondContact O-CB 3.45Å; Q153-R157 PolarHBondContact O-N 3.1Å; M154-R157 WeakPolarHBondContact O-CB 3.46Å; M154-R157 PolarHBondContact O-N 2.88Å; M154-R157 VanDerWaalsContact O-N 3.15Å; R157-E159 PolarHBondContact O-N 3.45Å; R157-R160 WeakPolarHBondContact O-CB 3.3Å; R157-R160 PolarHBondContact O-N 2.84Å; R157-R161 PolarHBondContact O-N 2.95Å; R157-E197 HydrophobicContact CG-CG 3.91Å; R157-E197 IonicContact CZ-OE2 3.94Å; R157-E197 VanDerWaalsContact CZ-OE2 3.25Å; R157-E197 IonicContact NE-OE1 2.96Å; R157-E197 IonicContact NE-OE2 3.21Å; R157-E197 PolarHBondContact NE-OE2 3.1Å; R157-E197 IonicContact NH2-OE2 2.84Å; R157-E197 PolarHBondContact NH2-OE2 3.49Å; R157-D201 IonicContact CZ-OD1 2.8Å; R157-D201 IonicContact CZ-OD2 3.94Å; R157-D201 VanDerWaalsContact NH1-CG 3.3Å; R157-D201 IonicContact NH1-OD1 3.61Å; R157-D201 PolarHBondContact NH1-OD1 3.16Å; R157-D201 IonicContact NH1-OD2 3.7Å; R157-D201 PolarHBondContact NH1-OD2 3.44Å; R157-D201 VanDerWaalsContact NH1-OD2 3.1Å; R157-D201 IonicContact NH2-OD2 2.8Å
158	D	94.4	Very high	87.3	Confident	22 Å²	22	70.3 Å²	70.3	12%	0.118	37%	0.372	C	S	.	.	H	α-helix	trans	-61.7	-41.9	176	-74.2	0.5	0	0	0	111.9	W128 Y131 Y136 M154 M155 R160 R161 F162 F181	W128-D158 HydrophobicContact CH2-CB 3.81Å; W128-D158 HydrophobicContact CZ3-CB 4.03Å; Y131-D158 HydrophobicContact CE1-CB 4.34Å; Y131-D158 PolarHBondContact OH-OD2 3.14Å; Y136-D158 PolarHBondContact OH-OD2 2.78Å; M154-D158 PolarHBondContact O-N 3.22Å; M155-D158 PolarHBondContact O-N 2.96Å; D158-R160 VanDerWaalsContact C-N 3.29Å; D158-R160 PolarHBondContact O-N 3.22Å; D158-R161 PolarHBondContact O-N 3.45Å; D158-F162 VanDerWaalsContact O-CB 3.32Å; D158-F162 WeakPolarHBondContact O-CB 3.5Å; D158-F162 PolarHBondContact O-N 2.89Å; D158-F181 HydrophobicContact CB-CE2 4.33Å; D158-F181 HydrophobicContact CB-CZ 4.32Å; D158-F181 WeakPolarHBondContact O-CE2 3.38Å
159	E	95.4	Very high	89.3	Confident	55 Å²	55	68.9 Å²	68.9	26%	0.257	36%	0.358	S	S	.	.	H	α-helix	trans	-62.7	-39.5	178	-166.5	-179.6	155.9	0	0	111.3	W128 M155 R157 F162 K163	W128-E159 HydrophobicContact CD2-CB 4.37Å; W128-E159 HydrophobicContact CD2-CG 4.01Å; W128-E159 VanDerWaalsContact CH2-CA 3.4Å; W128-E159 HydrophobicContact CH2-CB 3.59Å; W128-E159 HydrophobicContact CH2-CG 4.28Å; W128-E159 HydrophobicContact CZ2-CB 3.38Å; W128-E159 HydrophobicContact CZ2-CG 3.74Å; W128-E159 HydrophobicContact CZ3-CB 4.15Å; M155-E159 WeakPolarHBondContact O-CB 3.4Å; M155-E159 PolarHBondContact O-N 3.47Å; R157-E159 PolarHBondContact O-N 3.45Å; E159-F162 PolarHBondContact O-N 2.94Å; E159-K163 HydrophobicContact CG-CD 4.44Å; E159-K163 WeakPolarHBondContact O-CB 3.37Å; E159-K163 VanDerWaalsContact O-CG 3.27Å; E159-K163 WeakPolarHBondContact O-CG 3.36Å; E159-K163 PolarHBondContact O-N 3.05Å; E159-K163 VanDerWaalsContact OE1-CE 3.25Å; E159-K163 WeakPolarHBondContact OE1-CE 3.19Å; E159-K163 IonicContact OE1-NZ 3.29Å; E159-K163 PolarHBondContact OE1-NZ 2.97Å
160	R	95.9	Very high	91.2	Very high	76 Å²	76	65.5 Å²	65.5	29%	0.287	35%	0.35	S	S	.	.	H	α-helix	trans	-64.3	-43.9	176.1	-175.9	-176.8	63.4	-151.2	1.2	110.7	A156 R157 D158 K163 M164 I193 E197 E200	A156-R160 WeakPolarHBondContact O-CB 3.36Å; A156-R160 PolarHBondContact O-N 2.99Å; R157-R160 WeakPolarHBondContact O-CB 3.3Å; R157-R160 PolarHBondContact O-N 2.84Å; D158-R160 VanDerWaalsContact C-N 3.29Å; D158-R160 PolarHBondContact O-N 3.22Å; R160-K163 PolarHBondContact O-N 3.49Å; R160-M164 PolarHBondContact O-N 3.48Å; R160-M164 VanDerWaalsContact O-N 3.08Å; R160-I193 HydrophobicContact CG-CD1 3.92Å; R160-E197 VanDerWaalsContact NH2-CG 3.33Å; R160-E200 IonicContact CZ-OE1 3.75Å; R160-E200 IonicContact CZ-OE2 3.53Å; R160-E200 IonicContact NH1-OE1 3.07Å; R160-E200 PolarHBondContact NH1-OE1 2.71Å; R160-E200 IonicContact NH1-OE2 3.52Å; R160-E200 PolarHBondContact NH1-OE2 3.28Å; R160-E200 IonicContact NH2-OE1 3.56Å; R160-E200 PolarHBondContact NH2-OE1 2.77Å; R160-E200 IonicContact NH2-OE2 3.1Å; R160-E200 PolarHBondContact NH2-OE2 3.23Å
161	R	96.3	Very high	92.2	Very high	43 Å²	43	64.5 Å²	64.5	16%	0.162	34%	0.343	C	S	.	.	H	α-helix	trans	-64.6	-44.3	176.1	-168.6	-167.9	-61.4	178.4	-0.4	111.7	R157 D158 K163 M164 A165 F181 M190 I193 E197	R157-R161 PolarHBondContact O-N 2.95Å; D158-R161 PolarHBondContact O-N 3.45Å; R161-K163 VanDerWaalsContact C-N 3.32Å; R161-K163 PolarHBondContact O-N 3.5Å; R161-M164 WeakPolarHBondContact O-CB 3.47Å; R161-M164 PolarHBondContact O-N 2.72Å; R161-A165 PolarHBondContact O-N 3.34Å; R161-F181 HydrophobicContact CB-CD2 4.03Å; R161-F181 HydrophobicContact CB-CE2 4.05Å; R161-F181 WeakPolarHBondContact CD-O 3.29Å; R161-F181 HydrophobicContact CG-CD2 3.85Å; R161-F181 HydrophobicContact CG-CE2 4.25Å; R161-F181 PolarHBondContact NH1-O 2.97Å; R161-M190 HydrophobicContact CG-CE 3.75Å; R161-I193 HydrophobicContact CB-CG1 4.18Å; R161-I193 HydrophobicContact CG-CG1 4.18Å; R161-I193 HydrophobicContact CG-CG2 3.91Å; R161-E197 IonicContact CZ-OE1 2.82Å; R161-E197 IonicContact CZ-OE2 3.78Å; R161-E197 IonicContact NE-OE1 2.63Å; R161-E197 PolarHBondContact NE-OE1 3.2Å; R161-E197 VanDerWaalsContact NE-OE1 3.07Å; R161-E197 IonicContact NE-OE2 2.73Å; R161-E197 IonicContact NH2-OE1 3.69Å; R161-E197 IonicContact NH2-OE2 2.71Å; R161-E197 PolarHBondContact NH2-OE2 3.25Å
162	F	96.5	Very high	93.2	Very high	1 Å²	1	64.8 Å²	64.8	0%	0.004	35%	0.347	C	S	.	.	H	α-helix	trans	-58.7	-44.6	176.9	-169.5	-79.9	0	0	0	111.1	I126 W128 D158 E159 M164 A165 D166 A173 F178 F181	I126-F162 WeakPolarHBondContact O-CZ 3.47Å; W128-F162 HydrophobicContact CB-CD1 4.26Å; W128-F162 HydrophobicContact CB-CE1 4.11Å; W128-F162 HydrophobicContact CB-CZ 4.44Å; W128-F162 HydrophobicContact CE3-CB 3.86Å; W128-F162 HydrophobicContact CE3-CD1 4.38Å; W128-F162 AromaticContact CE3-CD2 4Å; W128-F162 HydrophobicContact CE3-CD2 4Å; W128-F162 AromaticContact CE3-CG 3.82Å; W128-F162 HydrophobicContact CE3-CG 3.82Å; W128-F162 HydrophobicContact CZ3-CB 4.1Å; W128-F162 HydrophobicContact CZ3-CG 4.47Å; D158-F162 VanDerWaalsContact O-CB 3.32Å; D158-F162 WeakPolarHBondContact O-CB 3.5Å; D158-F162 PolarHBondContact O-N 2.89Å; E159-F162 PolarHBondContact O-N 2.94Å; F162-M164 VanDerWaalsContact C-N 3.29Å; F162-M164 PolarHBondContact O-N 3.2Å; F162-A165 PolarHBondContact O-N 3.49Å; F162-D166 WeakPolarHBondContact O-CB 3.43Å; F162-D166 PolarHBondContact O-N 2.94Å; F162-A173 HydrophobicContact CE1-CB 4.27Å; F162-A173 HydrophobicContact CE2-CB 3.79Å; F162-A173 HydrophobicContact CZ-CB 3.48Å; F162-A173 VanDerWaalsContact CZ-CB 3.48Å; F162-F178 HydrophobicContact CE2-CD2 4.36Å; F162-F181 HydrophobicContact CB-CD2 3.96Å; F162-F181 HydrophobicContact CB-CE2 4.05Å; F162-F181 HydrophobicContact CD2-CD1 4.32Å; F162-F181 HydrophobicContact CD2-CD2 4.27Å; F162-F181 HydrophobicContact CD2-CE2 4.48Å; F162-F181 HydrophobicContact CD2-CG 4.19Å
163	K	96.5	Very high	93.8	Very high	106 Å²	106	56.6 Å²	56.6	46%	0.461	31%	0.312	S	S	.	.	H	α-helix	trans	-64.7	-29	174.8	-75	171.6	-175.9	164.9	0	114.1	E159 R160 R161 H171	E159-K163 HydrophobicContact CG-CD 4.44Å; E159-K163 WeakPolarHBondContact O-CB 3.37Å; E159-K163 VanDerWaalsContact O-CG 3.27Å; E159-K163 WeakPolarHBondContact O-CG 3.36Å; E159-K163 PolarHBondContact O-N 3.05Å; E159-K163 VanDerWaalsContact OE1-CE 3.25Å; E159-K163 WeakPolarHBondContact OE1-CE 3.19Å; E159-K163 IonicContact OE1-NZ 3.29Å; E159-K163 PolarHBondContact OE1-NZ 2.97Å; R160-K163 PolarHBondContact O-N 3.49Å; R161-K163 VanDerWaalsContact C-N 3.32Å; R161-K163 PolarHBondContact O-N 3.5Å; K163-H171 VanDerWaalsContact CE-CE1 3.44Å; K163-H171 WeakPolarHBondContact CE-CE1 3.49Å
164	M	95.9	Very high	94.3	Very high	80 Å²	80	53.2 Å²	53.2	39%	0.394	30%	0.298	S	S	.	.	H	α-helix	trans	-74.5	-37.7	175.2	-171.4	69.6	98.2	0	0	110.9	R160 R161 F162 M190	R160-M164 PolarHBondContact O-N 3.48Å; R160-M164 VanDerWaalsContact O-N 3.08Å; R161-M164 WeakPolarHBondContact O-CB 3.47Å; R161-M164 PolarHBondContact O-N 2.72Å; F162-M164 VanDerWaalsContact C-N 3.29Å; F162-M164 PolarHBondContact O-N 3.2Å; M164-M190 VanDerWaalsContact C-SD 3.6Å; M164-M190 HydrophobicContact CB-CE 4.17Å; M164-M190 HydrophobicContact CB-SD 3.85Å; M164-M190 HydrophobicContact CG-CE 4.35Å; M164-M190 HydrophobicContact CG-SD 3.51Å; M164-M190 VanDerWaalsContact CG-SD 3.51Å
165	A	95.9	Very high	94.6	Very high	4 Å²	4	52.3 Å²	52.3	3%	0.033	29%	0.292	C	S	.	.	H	α-helix	trans	-71.7	-34.5	177.7	0	0	0	0	0	112.4	R161 F162 G167 E177 A180 F181 M190	R161-A165 PolarHBondContact O-N 3.34Å; F162-A165 PolarHBondContact O-N 3.49Å; A165-G167 PolarHBondContact O-N 3.42Å; A165-E177 WeakPolarHBondContact CB-O 3.23Å; A165-E177 WeakPolarHBondContact O-CG 2.98Å; A165-A180 HydrophobicContact CB-CB 4.23Å; A165-F181 HydrophobicContact CB-CB 3.85Å; A165-M190 HydrophobicContact CB-CE 3.73Å; A165-M190 HydrophobicContact CB-SD 4.01Å; A165-M190 PolarHBondContact N-SD 3.48Å
166	D	95.8	Very high	94.7	Very high	12 Å²	12	55.5 Å²	55.5	6%	0.064	31%	0.307	C	S	.	.			trans	-69.1	90.5	174.1	173.8	14.9	0	0	0	110.9	F162 N168 G169 D170 H171	F162-D166 WeakPolarHBondContact O-CB 3.43Å; F162-D166 PolarHBondContact O-N 2.94Å; D166-N168 PolarHBondContact O-N 2.84Å; D166-N168 PolarHBondContact OD1-N 3.04Å; D166-N168 PolarHBondContact OD1-ND2 2.78Å; D166-G169 WeakPolarHBondContact OD1-CA 3.13Å; D166-G169 PolarHBondContact OD1-N 3.18Å; D166-G169 VanDerWaalsContact OD2-C 3.3Å; D166-G169 WeakPolarHBondContact OD2-CA 3.47Å; D166-D170 PolarHBondContact OD2-N 3.42Å; D166-H171 VanDerWaalsContact OD2-CA 3.22Å; D166-H171 WeakPolarHBondContact OD2-CA 3.45Å; D166-H171 PolarHBondContact OD2-N 3.02Å
167	G	93.1	Very high	94.9	Very high	73 Å²	73	53.9 Å²	53.9	75%	0.753	29%	0.29	S	S	*	.	S	Bend	trans	-72.6	-19.9	-176.5	0	0	0	0	0	113	A165 E177	A165-G167 PolarHBondContact O-N 3.42Å; G167-E177 PolarHBondContact N-OE1 2.96Å
168	N	94.5	Very high	95	Very high	92 Å²	92	50.9 Å²	50.9	49%	0.492	28%	0.278	S	S	.	.	S	Bend	trans	-96.6	-21.2	-176	88.2	63.2	0	0	0	112.6	D166 D170 E177	D166-N168 PolarHBondContact O-N 2.84Å; D166-N168 PolarHBondContact OD1-N 3.04Å; D166-N168 PolarHBondContact OD1-ND2 2.78Å; N168-D170 PolarHBondContact ND2-OD1 3.07Å; N168-D170 WeakPolarHBondContact OD1-CB 3.45Å; N168-D170 PolarHBondContact OD1-N 3.09Å; N168-D170 PolarHBondContact OD1-OD1 3.44Å; N168-D170 PolarHBondContact OD1-OD2 3.41Å; N168-E177 PolarHBondContact ND2-OE1 3.19Å
169	G	94.8	Very high	94.9	Very high	62 Å²	62	49.9 Å²	49.9	64%	0.639	27%	0.273	S	S	*	.			trans	78.3	18.6	173.6	0	0	0	0	0	114.7	D166 H171	D166-G169 WeakPolarHBondContact OD1-CA 3.13Å; D166-G169 PolarHBondContact OD1-N 3.18Å; D166-G169 VanDerWaalsContact OD2-C 3.3Å; D166-G169 WeakPolarHBondContact OD2-CA 3.47Å; G169-H171 VanDerWaalsContact C-N 3.29Å
170	D	95.9	Very high	94.8	Very high	83 Å²	83	47.3 Å²	47.3	44%	0.444	26%	0.261	S	S	.	.	S	Bend	trans	-85.8	-1.9	177.1	72.4	-5.9	0	0	0	113.6	D166 N168 I172	D166-D170 PolarHBondContact OD2-N 3.42Å; N168-D170 PolarHBondContact ND2-OD1 3.07Å; N168-D170 WeakPolarHBondContact OD1-CB 3.45Å; N168-D170 PolarHBondContact OD1-N 3.09Å; N168-D170 PolarHBondContact OD1-OD1 3.44Å; N168-D170 PolarHBondContact OD1-OD2 3.41Å; D170-I172 PolarHBondContact O-N 2.84Å; D170-I172 WeakPolarHBondContact OD1-CA 3.36Å; D170-I172 WeakPolarHBondContact OD1-CB 3.47Å; D170-I172 PolarHBondContact OD1-N 3.19Å
171	H	95.3	Very high	94.7	Very high	55 Å²	55	43.7 Å²	43.7	26%	0.255	25%	0.247	S	C	.	.	S	Bend	trans	65.3	25.5	-179.1	-144.7	52.1	0	0	0	113.3	W128 K163 D166 G169	W128-H171 VanDerWaalsContact CB-CD2 3.4Å; W128-H171 WeakPolarHBondContact CB-CD2 3.48Å; W128-H171 WeakPolarHBondContact CB-NE2 3.47Å; W128-H171 AromaticContact CD1-CD2 3.97Å; W128-H171 AromaticContact CD1-NE2 3.17Å; W128-H171 AromaticContact CG-CD2 3.95Å; W128-H171 AromaticContact CG-CE1 3.82Å; W128-H171 AromaticContact CG-NE2 3.23Å; W128-H171 PolarHBondContact N-O 3.32Å; K163-H171 VanDerWaalsContact CE-CE1 3.44Å; K163-H171 WeakPolarHBondContact CE-CE1 3.49Å; D166-H171 VanDerWaalsContact OD2-CA 3.22Å; D166-H171 WeakPolarHBondContact OD2-CA 3.45Å; D166-H171 PolarHBondContact OD2-N 3.02Å; G169-H171 VanDerWaalsContact C-N 3.29Å
172	I	96.3	Very high	94.4	Very high	59 Å²	59	43.7 Å²	43.7	30%	0.303	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	114.3	179.8	-58.7	170.1	0	0	0	107.4	M125 D170	M125-I172 HydrophobicContact CB-CG2 3.39Å; M125-I172 HydrophobicContact CG-CG2 4.05Å; D170-I172 PolarHBondContact O-N 2.84Å; D170-I172 WeakPolarHBondContact OD1-CA 3.36Å; D170-I172 WeakPolarHBondContact OD1-CB 3.47Å; D170-I172 PolarHBondContact OD1-N 3.19Å
173	A	95.9	Very high	94	Very high	2 Å²	2	45.8 Å²	45.8	2%	0.017	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	127.4	-178.2	0	0	0	0	0	110.8	I126 F162 E177 F178	I126-A173 PolarHBondContact N-O 3.35Å; I126-A173 PolarHBondContact O-N 3.3Å; F162-A173 HydrophobicContact CE1-CB 4.27Å; F162-A173 HydrophobicContact CE2-CB 3.79Å; F162-A173 HydrophobicContact CZ-CB 3.48Å; F162-A173 VanDerWaalsContact CZ-CB 3.48Å; A173-E177 WeakPolarHBondContact CA-OE2 3.38Å; A173-E177 HydrophobicContact CB-CB 3.98Å; A173-F178 HydrophobicContact CB-CB 3.93Å; A173-F178 HydrophobicContact CB-CD2 4.38Å
174	D	94.5	Very high	93.7	Very high	62 Å²	62	41.1 Å²	41.1	33%	0.332	24%	0.24	S	C	.	.			trans	-73.5	-177.4	158.9	80.1	26	0	0	0	111.8	M125 E176 E177 F178	M125-D174 HydrophobicContact CE-CB 4.22Å; M125-D174 HydrophobicContact SD-CB 3.83Å; D174-E176 PolarHBondContact O-N 3.26Å; D174-E176 WeakPolarHBondContact OD1-CA 3.41Å; D174-E176 WeakPolarHBondContact OD1-CB 3.42Å; D174-E176 PolarHBondContact OD1-N 3.31Å; D174-E177 PolarHBondContact N-OE2 3.41Å; D174-E177 PolarHBondContact O-N 2.89Å; D174-E177 PolarHBondContact OD1-N 2.85Å; D174-F178 VanDerWaalsContact O-CB 3.3Å; D174-F178 WeakPolarHBondContact O-CB 3.43Å; D174-F178 PolarHBondContact O-N 3.16Å
175	K	91	Very high	93.2	Very high	62 Å²	62	39.5 Å²	39.5	27%	0.27	23%	0.232	S	C	.	.	H	α-helix	trans	-66.5	-35.3	-175	-161.9	175.8	-175.3	-170.1	0	113.8	Y108 E112 W115 T179	Y108-K175 HydrophobicContact CD1-CD 4.15Å; Y108-K175 HydrophobicContact CD1-CG 4.17Å; Y108-K175 HydrophobicContact CE1-CD 4.41Å; Y108-K175 HydrophobicContact CE1-CG 4.06Å; E112-K175 WeakPolarHBondContact OE2-CE 3.33Å; E112-K175 IonicContact OE2-NZ 2.58Å; E112-K175 PolarHBondContact OE2-NZ 3.32Å; W115-K175 HydrophobicContact CE3-CG 4.09Å; W115-K175 VanDerWaalsContact CH2-CA 3.42Å; W115-K175 HydrophobicContact CH2-CB 3.89Å; W115-K175 HydrophobicContact CH2-CG 4.17Å; W115-K175 HydrophobicContact CZ3-CB 3.9Å; W115-K175 HydrophobicContact CZ3-CG 3.68Å; K175-T179 WeakPolarHBondContact O-CB 3.42Å; K175-T179 PolarHBondContact O-N 3Å; K175-T179 VanDerWaalsContact O-N 3.12Å; K175-T179 PolarHBondContact O-OG1 3.28Å
176	E	91.9	Very high	92.5	Very high	98 Å²	98	41.2 Å²	41.2	46%	0.458	24%	0.239	S	C	.	.	H	α-helix	trans	-71.5	-46.6	177.3	-169.9	91.2	-147.6	0	0	109.3	Y108 D174 F178 T179 A180 Y187	Y108-E176 WeakPolarHBondContact OH-CA 3.37Å; Y108-E176 PolarHBondContact OH-OE1 3.38Å; Y108-E176 PolarHBondContact OH-OE2 3.13Å; D174-E176 PolarHBondContact O-N 3.26Å; D174-E176 WeakPolarHBondContact OD1-CA 3.41Å; D174-E176 WeakPolarHBondContact OD1-CB 3.42Å; D174-E176 PolarHBondContact OD1-N 3.31Å; E176-F178 PolarHBondContact O-N 3.38Å; E176-T179 WeakPolarHBondContact O-CB 3.36Å; E176-T179 PolarHBondContact O-N 2.81Å; E176-A180 PolarHBondContact O-N 3.1Å; E176-Y187 HydrophobicContact CG-CE1 4.22Å; E176-Y187 WeakPolarHBondContact OE1-CE1 3.48Å; E176-Y187 PolarHBondContact OE1-OH 3.36Å
177	E	95.2	Very high	92.1	Very high	22 Å²	22	41.9 Å²	41.9	10%	0.103	24%	0.241	C	C	.	.	H	α-helix	trans	-62.3	-43.3	179.6	-63.1	174	144.4	0	0	111.2	A165 G167 N168 A173 D174 T179 A180 F181	A165-E177 WeakPolarHBondContact CB-O 3.23Å; A165-E177 WeakPolarHBondContact O-CG 2.98Å; G167-E177 PolarHBondContact N-OE1 2.96Å; N168-E177 PolarHBondContact ND2-OE1 3.19Å; A173-E177 WeakPolarHBondContact CA-OE2 3.38Å; A173-E177 HydrophobicContact CB-CB 3.98Å; D174-E177 PolarHBondContact N-OE2 3.41Å; D174-E177 PolarHBondContact O-N 2.89Å; D174-E177 PolarHBondContact OD1-N 2.85Å; E177-T179 VanDerWaalsContact C-N 3.33Å; E177-T179 PolarHBondContact O-N 3.49Å; E177-A180 PolarHBondContact O-N 2.81Å; E177-F181 PolarHBondContact O-N 3.45Å
178	F	93.9	Very high	91.9	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-69.3	-32.4	177.4	-167.5	-112.4	0	0	0	112.2	V111 W115 F118 I126 Y131 F162 A173 D174 E176 F181 L182	V111-F178 HydrophobicContact CG1-CD1 3.73Å; V111-F178 HydrophobicContact CG1-CE1 4.32Å; W115-F178 HydrophobicContact CE3-CD1 4.05Å; W115-F178 HydrophobicContact CH2-CB 4.16Å; W115-F178 HydrophobicContact CZ3-CB 3.77Å; W115-F178 AromaticContact CZ3-CD1 3.76Å; W115-F178 HydrophobicContact CZ3-CD1 3.76Å; W115-F178 HydrophobicContact CZ3-CG 4.08Å; F118-F178 HydrophobicContact CD2-CE1 4.22Å; F118-F178 AromaticContact CD2-CZ 3.85Å; F118-F178 HydrophobicContact CD2-CZ 3.85Å; F118-F178 HydrophobicContact CE2-CZ 4.16Å; F118-F178 HydrophobicContact CG-CZ 4.2Å; I126-F178 HydrophobicContact CB-CD2 4.27Å; I126-F178 HydrophobicContact CB-CE2 4.46Å; I126-F178 HydrophobicContact CD1-CD1 3.54Å; I126-F178 HydrophobicContact CD1-CD2 3.94Å; I126-F178 HydrophobicContact CD1-CE1 3.5Å; I126-F178 VanDerWaalsContact CD1-CE1 3.5Å; I126-F178 HydrophobicContact CD1-CE2 3.91Å; I126-F178 HydrophobicContact CD1-CG 3.76Å; I126-F178 HydrophobicContact CD1-CZ 3.7Å; I126-F178 HydrophobicContact CG2-CD2 4.12Å; I126-F178 HydrophobicContact CG2-CE2 3.9Å; Y131-F178 AromaticContact CD2-CE2 3.93Å; Y131-F178 HydrophobicContact CD2-CE2 3.93Å; Y131-F178 HydrophobicContact CD2-CZ 4.2Å; Y131-F178 HydrophobicContact CE2-CE2 4.47Å; F162-F178 HydrophobicContact CE2-CD2 4.36Å; A173-F178 HydrophobicContact CB-CB 3.93Å; A173-F178 HydrophobicContact CB-CD2 4.38Å; D174-F178 VanDerWaalsContact O-CB 3.3Å; D174-F178 WeakPolarHBondContact O-CB 3.43Å; D174-F178 PolarHBondContact O-N 3.16Å; E176-F178 PolarHBondContact O-N 3.38Å; F178-F181 AromaticContact CD2-CD1 3.95Å; F178-F181 HydrophobicContact CD2-CD1 3.95Å; F178-F181 AromaticContact CE2-CD1 3.82Å; F178-F181 HydrophobicContact CE2-CD1 3.82Å; F178-F181 HydrophobicContact CE2-CE1 4.14Å; F178-F181 PolarHBondContact O-N 2.96Å; F178-L182 HydrophobicContact CD1-CD1 4.01Å; F178-L182 HydrophobicContact CD1-CG 4.46Å; F178-L182 HydrophobicContact CE1-CD1 3.57Å; F178-L182 HydrophobicContact CE1-CG 4.17Å; F178-L182 HydrophobicContact CZ-CD1 4.07Å; F178-L182 HydrophobicContact CZ-CD2 4.38Å; F178-L182 HydrophobicContact CZ-CG 4.3Å; F178-L182 WeakPolarHBondContact O-CG 3.47Å; F178-L182 PolarHBondContact O-N 3.2Å; F178-L182 VanDerWaalsContact O-N 3.08Å
179	T	91.8	Very high	91.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-66	-42.4	172.2	-57.4	0	0	0	0	110.9	I107 Y108 V111 K175 E176 E177 F181 L182 H183 Y187	I107-T179 HydrophobicContact CG2-CG2 3.67Å; Y108-T179 WeakPolarHBondContact CE1-OG1 3.41Å; V111-T179 HydrophobicContact CG2-CG2 3.98Å; K175-T179 WeakPolarHBondContact O-CB 3.42Å; K175-T179 PolarHBondContact O-N 3Å; K175-T179 VanDerWaalsContact O-N 3.12Å; K175-T179 PolarHBondContact O-OG1 3.28Å; E176-T179 WeakPolarHBondContact O-CB 3.36Å; E176-T179 PolarHBondContact O-N 2.81Å; E177-T179 VanDerWaalsContact C-N 3.33Å; E177-T179 PolarHBondContact O-N 3.49Å; T179-F181 VanDerWaalsContact C-N 3.28Å; T179-F181 PolarHBondContact O-N 3.41Å; T179-L182 PolarHBondContact O-N 3.48Å; T179-H183 WeakPolarHBondContact O-CB 3.44Å; T179-H183 PolarHBondContact O-N 2.78Å; T179-Y187 WeakPolarHBondContact CB-OH 3.41Å; T179-Y187 HydrophobicContact CG2-CE2 4.1Å; T179-Y187 VanDerWaalsContact CG2-OH 3.28Å; T179-Y187 WeakPolarHBondContact CG2-OH 3.19Å
180	A	92.8	Very high	91.7	Very high	1 Å²	1	42 Å²	42	1%	0.008	20%	0.202	C	C	.	.	H	α-helix	trans	-64.6	-31.7	175.2	0	0	0	0	0	112.9	A165 E176 E177 P184 Y187 M190	A165-A180 HydrophobicContact CB-CB 4.23Å; E176-A180 PolarHBondContact O-N 3.1Å; E177-A180 PolarHBondContact O-N 2.81Å; A180-P184 WeakPolarHBondContact O-CA 3.12Å; A180-Y187 VanDerWaalsContact CA-CD2 3.46Å; A180-Y187 VanDerWaalsContact CA-CE2 3.42Å; A180-Y187 HydrophobicContact CB-CD1 3.88Å; A180-Y187 HydrophobicContact CB-CD2 3.63Å; A180-Y187 HydrophobicContact CB-CE1 4.02Å; A180-Y187 HydrophobicContact CB-CE2 3.79Å; A180-Y187 HydrophobicContact CB-CG 3.67Å; A180-M190 HydrophobicContact CB-CG 4.08Å; A180-M190 WeakPolarHBondContact O-CE 3.34Å
181	F	94.1	Very high	91.4	Very high	1 Å²	1	40.3 Å²	40.3	0%	0.004	19%	0.191	C	C	.	.	H	α-helix	trans	-67.7	-41.7	172.9	167.2	-108.7	0	0	0	112.9	Y131 D158 R161 F162 A165 E177 F178 T179	Y131-F181 HydrophobicContact CD1-CE1 4.46Å; Y131-F181 HydrophobicContact CD1-CZ 4.31Å; Y131-F181 HydrophobicContact CD2-CE1 4.02Å; Y131-F181 HydrophobicContact CE1-CE1 4.03Å; Y131-F181 AromaticContact CE1-CZ 3.69Å; Y131-F181 HydrophobicContact CE1-CZ 3.69Å; Y131-F181 AromaticContact CE2-CE1 3.53Å; Y131-F181 HydrophobicContact CE2-CE1 3.53Å; Y131-F181 HydrophobicContact CE2-CZ 4.05Å; Y131-F181 HydrophobicContact CG-CE1 4.45Å; Y131-F181 AromaticContact CZ-CE1 3.52Å; Y131-F181 AromaticContact CZ-CZ 3.52Å; D158-F181 HydrophobicContact CB-CE2 4.33Å; D158-F181 HydrophobicContact CB-CZ 4.32Å; D158-F181 WeakPolarHBondContact O-CE2 3.38Å; R161-F181 HydrophobicContact CB-CD2 4.03Å; R161-F181 HydrophobicContact CB-CE2 4.05Å; R161-F181 WeakPolarHBondContact CD-O 3.29Å; R161-F181 HydrophobicContact CG-CD2 3.85Å; R161-F181 HydrophobicContact CG-CE2 4.25Å; R161-F181 PolarHBondContact NH1-O 2.97Å; F162-F181 HydrophobicContact CB-CD2 3.96Å; F162-F181 HydrophobicContact CB-CE2 4.05Å; F162-F181 HydrophobicContact CD2-CD1 4.32Å; F162-F181 HydrophobicContact CD2-CD2 4.27Å; F162-F181 HydrophobicContact CD2-CE2 4.48Å; F162-F181 HydrophobicContact CD2-CG 4.19Å; A165-F181 HydrophobicContact CB-CB 3.85Å; E177-F181 PolarHBondContact O-N 3.45Å; F178-F181 AromaticContact CD2-CD1 3.95Å; F178-F181 HydrophobicContact CD2-CD1 3.95Å; F178-F181 AromaticContact CE2-CD1 3.82Å; F178-F181 HydrophobicContact CE2-CD1 3.82Å; F178-F181 HydrophobicContact CE2-CE1 4.14Å; F178-F181 PolarHBondContact O-N 2.96Å; T179-F181 VanDerWaalsContact C-N 3.28Å; T179-F181 PolarHBondContact O-N 3.41Å
182	L	90.4	Very high	91.2	Very high	43 Å²	43	41 Å²	41	23%	0.225	20%	0.196	C	C	.	.	H	α-helix	trans	-79.1	-33.8	-179.9	-67.4	-178	0	0	0	113.3	V111 F178 T179 P184	V111-L182 HydrophobicContact CG1-CD1 4.45Å; V111-L182 HydrophobicContact CG2-CD1 4.07Å; F178-L182 HydrophobicContact CD1-CD1 4.01Å; F178-L182 HydrophobicContact CD1-CG 4.46Å; F178-L182 HydrophobicContact CE1-CD1 3.57Å; F178-L182 HydrophobicContact CE1-CG 4.17Å; F178-L182 HydrophobicContact CZ-CD1 4.07Å; F178-L182 HydrophobicContact CZ-CD2 4.38Å; F178-L182 HydrophobicContact CZ-CG 4.3Å; F178-L182 WeakPolarHBondContact O-CG 3.47Å; F178-L182 PolarHBondContact O-N 3.2Å; F178-L182 VanDerWaalsContact O-N 3.08Å; T179-L182 PolarHBondContact O-N 3.48Å; L182-P184 WeakPolarHBondContact O-CD 3.5Å
183	H	88.2	Confident	91.1	Very high	45 Å²	45	38.3 Å²	38.3	21%	0.208	18%	0.183	C	C	.	.			trans	-125.6	60.5	-176.9	-62	-75.8	0	0	0	111.3	I107 T179 E185 E186 Y187	I107-H183 HydrophobicContact CG2-CB 4.37Å; I107-H183 WeakPolarHBondContact CG2-CD2 3.2Å; T179-H183 WeakPolarHBondContact O-CB 3.44Å; T179-H183 PolarHBondContact O-N 2.78Å; H183-E185 VanDerWaalsContact C-OE2 3.27Å; H183-E185 IonicContact CG-OE1 2.88Å; H183-E185 IonicContact ND1-OE1 3.25Å; H183-E185 PolarHBondContact ND1-OE1 3.49Å; H183-E185 PolarHBondContact O-N 3.08Å; H183-E186 HydrophobicContact CB-CB 4.5Å; H183-E186 HydrophobicContact CB-CG 4.1Å; H183-E186 WeakPolarHBondContact O-CB 3.47Å; H183-E186 PolarHBondContact O-N 3.36Å; H183-E186 VanDerWaalsContact O-N 3.13Å; H183-Y187 WeakPolarHBondContact O-CD2 3.14Å
184	P	90.1	Very high	90.9	Very high	7 Å²	7	38.6 Å²	38.6	5%	0.045	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-62	-24	-174.7	27.8	-37.5	0	0	0	113.8	A180 L182 E186 Y187 M190 I193 V194	A180-P184 WeakPolarHBondContact O-CA 3.12Å; L182-P184 WeakPolarHBondContact O-CD 3.5Å; P184-E186 PolarHBondContact O-N 2.91Å; P184-Y187 PolarHBondContact O-N 3.42Å; P184-M190 HydrophobicContact CB-CB 3.75Å; P184-M190 HydrophobicContact CB-CE 4.07Å; P184-M190 HydrophobicContact CB-CG 4.45Å; P184-M190 WeakPolarHBondContact O-CB 3.18Å; P184-I193 HydrophobicContact CB-CG2 4.01Å; P184-V194 HydrophobicContact CB-CG2 3.66Å; P184-V194 HydrophobicContact CG-CG2 3.76Å
185	E	85	Confident	90.8	Very high	47 Å²	47	35.6 Å²	35.6	22%	0.22	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-60.7	-29.3	175	65	-75.4	177.2	0	0	113.4	H183 Y187 L261	H183-E185 VanDerWaalsContact C-OE2 3.27Å; H183-E185 IonicContact CG-OE1 2.88Å; H183-E185 IonicContact ND1-OE1 3.25Å; H183-E185 PolarHBondContact ND1-OE1 3.49Å; H183-E185 PolarHBondContact O-N 3.08Å; E185-Y187 VanDerWaalsContact C-N 3.29Å; E185-Y187 PolarHBondContact O-N 3.27Å; E185-L261 HydrophobicContact CB-CD2 4.15Å
186	E	82.9	Confident	90.8	Very high	40 Å²	40	35.8 Å²	35.8	19%	0.187	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-80.8	-9.2	-176.9	-65.3	-65.8	148.4	0	0	113.5	I107 H183 P184	I107-E186 HydrophobicContact CD1-CG 3.85Å; H183-E186 HydrophobicContact CB-CB 4.5Å; H183-E186 HydrophobicContact CB-CG 4.1Å; H183-E186 WeakPolarHBondContact O-CB 3.47Å; H183-E186 PolarHBondContact O-N 3.36Å; H183-E186 VanDerWaalsContact O-N 3.13Å; P184-E186 PolarHBondContact O-N 2.91Å
187	Y	87.3	Confident	90.8	Very high	25 Å²	25	31.3 Å²	31.3	10%	0.098	15%	0.151	C	C	.	.			trans	-121.2	119.8	-172.3	-67.4	-96.7	0	0	0	111.1	Y108 E176 T179 A180 H183 P184 E185 H189 M190 K191	Y108-Y187 PolarHBondContact OH-OH 2.84Å; E176-Y187 HydrophobicContact CG-CE1 4.22Å; E176-Y187 WeakPolarHBondContact OE1-CE1 3.48Å; E176-Y187 PolarHBondContact OE1-OH 3.36Å; T179-Y187 WeakPolarHBondContact CB-OH 3.41Å; T179-Y187 HydrophobicContact CG2-CE2 4.1Å; T179-Y187 VanDerWaalsContact CG2-OH 3.28Å; T179-Y187 WeakPolarHBondContact CG2-OH 3.19Å; A180-Y187 VanDerWaalsContact CA-CD2 3.46Å; A180-Y187 VanDerWaalsContact CA-CE2 3.42Å; A180-Y187 HydrophobicContact CB-CD1 3.88Å; A180-Y187 HydrophobicContact CB-CD2 3.63Å; A180-Y187 HydrophobicContact CB-CE1 4.02Å; A180-Y187 HydrophobicContact CB-CE2 3.79Å; A180-Y187 HydrophobicContact CB-CG 3.67Å; H183-Y187 WeakPolarHBondContact O-CD2 3.14Å; P184-Y187 PolarHBondContact O-N 3.42Å; E185-Y187 VanDerWaalsContact C-N 3.29Å; E185-Y187 PolarHBondContact O-N 3.27Å; Y187-H189 VanDerWaalsContact C-N 3.26Å; Y187-H189 AromaticContact CD1-CE1 3.76Å; Y187-H189 PolarHBondContact O-N 2.93Å; Y187-H189 VanDerWaalsContact O-N 3.16Å; Y187-M190 WeakPolarHBondContact O-CA 3.43Å; Y187-M190 WeakPolarHBondContact O-CB 3.17Å; Y187-M190 PolarHBondContact O-N 3.26Å; Y187-K191 PolarHBondContact O-N 3.05Å
188	E	88	Confident	90.6	Very high	129 Å²	129	30.6 Å²	30.6	60%	0.603	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54	-41.6	-177.3	-169.1	62.5	-150.8	0	0	113.1	M190 K191	E188-M190 PolarHBondContact O-N 3.48Å; E188-K191 PolarHBondContact O-N 3.11Å; E188-K191 IonicContact OE1-NZ 3.65Å; E188-K191 WeakPolarHBondContact OE2-CE 3.49Å; E188-K191 IonicContact OE2-NZ 2.72Å; E188-K191 PolarHBondContact OE2-NZ 2.91Å
189	H	91.4	Very high	90.4	Very high	100 Å²	100	31.4 Å²	31.4	46%	0.463	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-15.6	179.4	69.9	-81.4	0	0	0	113.7	Y187	Y187-H189 VanDerWaalsContact C-N 3.26Å; Y187-H189 AromaticContact CD1-CE1 3.76Å; Y187-H189 PolarHBondContact O-N 2.93Å; Y187-H189 VanDerWaalsContact O-N 3.16Å
190	M	93.3	Very high	90.4	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-18.5	179.6	-66	-60.8	-75.8	0	0	112.6	R161 M164 A165 A180 P184 Y187 E188 D192 I193 V194	R161-M190 HydrophobicContact CG-CE 3.75Å; M164-M190 VanDerWaalsContact C-SD 3.6Å; M164-M190 HydrophobicContact CB-CE 4.17Å; M164-M190 HydrophobicContact CB-SD 3.85Å; M164-M190 HydrophobicContact CG-CE 4.35Å; M164-M190 HydrophobicContact CG-SD 3.51Å; M164-M190 VanDerWaalsContact CG-SD 3.51Å; A165-M190 HydrophobicContact CB-CE 3.73Å; A165-M190 HydrophobicContact CB-SD 4.01Å; A165-M190 PolarHBondContact N-SD 3.48Å; A180-M190 HydrophobicContact CB-CG 4.08Å; A180-M190 WeakPolarHBondContact O-CE 3.34Å; P184-M190 HydrophobicContact CB-CB 3.75Å; P184-M190 HydrophobicContact CB-CE 4.07Å; P184-M190 HydrophobicContact CB-CG 4.45Å; P184-M190 WeakPolarHBondContact O-CB 3.18Å; Y187-M190 WeakPolarHBondContact O-CA 3.43Å; Y187-M190 WeakPolarHBondContact O-CB 3.17Å; Y187-M190 PolarHBondContact O-N 3.26Å; E188-M190 PolarHBondContact O-N 3.48Å; M190-D192 PolarHBondContact O-N 3.25Å; M190-I193 HydrophobicContact CE-CG2 3.96Å; M190-I193 WeakPolarHBondContact O-CG2 3.37Å; M190-I193 PolarHBondContact O-N 3.43Å; M190-V194 PolarHBondContact O-N 2.87Å
191	K	90.1	Very high	90.2	Very high	48 Å²	48	37.9 Å²	37.9	21%	0.209	18%	0.184	C	C	.	.	H	α-helix	trans	-49	-35.7	178.1	-67.2	-174	172.3	172.2	0	113	Y187 E188 I193 V194 V195 M257 L261	Y187-K191 PolarHBondContact O-N 3.05Å; E188-K191 PolarHBondContact O-N 3.11Å; E188-K191 IonicContact OE1-NZ 3.65Å; E188-K191 WeakPolarHBondContact OE2-CE 3.49Å; E188-K191 IonicContact OE2-NZ 2.72Å; E188-K191 PolarHBondContact OE2-NZ 2.91Å; K191-I193 VanDerWaalsContact C-N 3.29Å; K191-I193 PolarHBondContact O-N 2.89Å; K191-V194 WeakPolarHBondContact O-CB 3.43Å; K191-V194 PolarHBondContact O-N 3.03Å; K191-V195 WeakPolarHBondContact O-CG2 3.14Å; K191-V195 PolarHBondContact O-N 3.46Å; K191-V195 VanDerWaalsContact O-N 3.09Å; K191-M257 HydrophobicContact CB-CE 3.89Å; K191-M257 HydrophobicContact CD-CE 3.72Å; K191-M257 HydrophobicContact CG-CE 4.46Å; K191-L261 HydrophobicContact CB-CD1 3.77Å; K191-L261 HydrophobicContact CD-CD1 4.14Å; K191-L261 HydrophobicContact CG-CD1 3.78Å
192	D	91.8	Very high	90	Very high	70 Å²	70	38 Å²	38	37%	0.374	18%	0.184	S	C	.	.	H	α-helix	trans	-60.3	-34.7	178	-81.9	-17.1	0	0	0	114.3	M190 L196 R253	M190-D192 PolarHBondContact O-N 3.25Å; D192-L196 WeakPolarHBondContact O-CB 3.27Å; D192-L196 PolarHBondContact O-N 3.45Å; D192-R253 PolarHBondContact O-NH2 3.29Å; D192-R253 IonicContact OD1-CZ 2.81Å; D192-R253 IonicContact OD1-NH1 2.71Å; D192-R253 PolarHBondContact OD1-NH1 2.81Å; D192-R253 IonicContact OD1-NH2 3.5Å; D192-R253 PolarHBondContact OD1-NH2 3.09Å; D192-R253 IonicContact OD2-NH2 2.66Å
193	I	93.7	Very high	90.1	Very high	3 Å²	3	37 Å²	37	2%	0.015	18%	0.179	C	C	.	.	H	α-helix	trans	-74.4	-37.8	176.4	-155.2	67.4	0	0	0	111.3	R160 R161 P184 M190 K191 V195 L196 E197	R160-I193 HydrophobicContact CG-CD1 3.92Å; R161-I193 HydrophobicContact CB-CG1 4.18Å; R161-I193 HydrophobicContact CG-CG1 4.18Å; R161-I193 HydrophobicContact CG-CG2 3.91Å; P184-I193 HydrophobicContact CB-CG2 4.01Å; M190-I193 HydrophobicContact CE-CG2 3.96Å; M190-I193 WeakPolarHBondContact O-CG2 3.37Å; M190-I193 PolarHBondContact O-N 3.43Å; K191-I193 VanDerWaalsContact C-N 3.29Å; K191-I193 PolarHBondContact O-N 2.89Å; I193-V195 VanDerWaalsContact C-N 3.3Å; I193-V195 PolarHBondContact O-N 2.65Å; I193-L196 HydrophobicContact CD1-CD2 4.27Å; I193-L196 PolarHBondContact O-N 3.13Å; I193-E197 HydrophobicContact CG1-CG 4.34Å; I193-E197 VanDerWaalsContact O-CB 3.26Å; I193-E197 WeakPolarHBondContact O-CB 3.5Å; I193-E197 VanDerWaalsContact O-CG 3.23Å; I193-E197 WeakPolarHBondContact O-CG 3.34Å; I193-E197 PolarHBondContact O-N 3.38Å
194	V	91.4	Very high	90.2	Very high	7 Å²	7	42.7 Å²	42.7	4%	0.042	20%	0.203	C	C	.	.	H	α-helix	trans	-61.1	-43.5	178.3	-176.2	0	0	0	0	110.2	P184 M190 K191 T198 I260 L261	P184-V194 HydrophobicContact CB-CG2 3.66Å; P184-V194 HydrophobicContact CG-CG2 3.76Å; M190-V194 PolarHBondContact O-N 2.87Å; K191-V194 WeakPolarHBondContact O-CB 3.43Å; K191-V194 PolarHBondContact O-N 3.03Å; V194-T198 WeakPolarHBondContact O-CB 3.07Å; V194-T198 PolarHBondContact O-N 3.08Å; V194-T198 PolarHBondContact O-OG1 3.21Å; V194-I260 HydrophobicContact CG1-CD1 4Å; V194-L261 HydrophobicContact CB-CD1 4.39Å; V194-L261 HydrophobicContact CG1-CD1 4.44Å
195	V	91.8	Very high	90.2	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64.9	-51	176.4	178.4	0	0	0	0	111.1	K191 I193 E197 T198 M199 R253 T256 M257 I260	K191-V195 WeakPolarHBondContact O-CG2 3.14Å; K191-V195 PolarHBondContact O-N 3.46Å; K191-V195 VanDerWaalsContact O-N 3.09Å; I193-V195 VanDerWaalsContact C-N 3.3Å; I193-V195 PolarHBondContact O-N 2.65Å; V195-E197 VanDerWaalsContact C-N 3.29Å; V195-E197 PolarHBondContact O-N 2.94Å; V195-T198 PolarHBondContact O-N 3.14Å; V195-M199 HydrophobicContact CG1-CG 4.4Å; V195-M199 HydrophobicContact CG1-SD 4.06Å; V195-M199 VanDerWaalsContact O-CG 3.32Å; V195-M199 WeakPolarHBondContact O-CG 3.47Å; V195-M199 PolarHBondContact O-N 2.88Å; V195-R253 HydrophobicContact CG1-CG 3.7Å; V195-T256 HydrophobicContact CG1-CG2 4.11Å; V195-M257 HydrophobicContact CG2-CB 3.64Å; V195-M257 HydrophobicContact CG2-CG 3.81Å; V195-I260 HydrophobicContact CB-CD1 4.3Å; V195-I260 HydrophobicContact CG2-CD1 3.85Å; V195-I260 HydrophobicContact CG2-CG1 4.33Å
196	L	92.6	Very high	90.5	Very high	66 Å²	66	47.1 Å²	47.1	35%	0.346	24%	0.243	S	C	.	.	H	α-helix	trans	-56.6	-46.7	-179.1	175.2	63.7	0	0	0	111.5	D192 I193 M199 E200	D192-L196 WeakPolarHBondContact O-CB 3.27Å; D192-L196 PolarHBondContact O-N 3.45Å; I193-L196 HydrophobicContact CD1-CD2 4.27Å; I193-L196 PolarHBondContact O-N 3.13Å; L196-M199 PolarHBondContact O-N 2.84Å; L196-E200 WeakPolarHBondContact O-CG 3.39Å; L196-E200 PolarHBondContact O-N 3.45Å
197	E	91.4	Very high	91	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.019	26%	0.255	C	S	.	.	H	α-helix	trans	-67.6	-37.1	-179.2	-76.6	-174.9	-168.8	0	0	113.2	R157 R160 R161 I193 V195 M199 E200 D201	R157-E197 HydrophobicContact CG-CG 3.91Å; R157-E197 IonicContact CZ-OE2 3.94Å; R157-E197 VanDerWaalsContact CZ-OE2 3.25Å; R157-E197 IonicContact NE-OE1 2.96Å; R157-E197 IonicContact NE-OE2 3.21Å; R157-E197 PolarHBondContact NE-OE2 3.1Å; R157-E197 IonicContact NH2-OE2 2.84Å; R157-E197 PolarHBondContact NH2-OE2 3.49Å; R160-E197 VanDerWaalsContact NH2-CG 3.33Å; R161-E197 IonicContact CZ-OE1 2.82Å; R161-E197 IonicContact CZ-OE2 3.78Å; R161-E197 IonicContact NE-OE1 2.63Å; R161-E197 PolarHBondContact NE-OE1 3.2Å; R161-E197 VanDerWaalsContact NE-OE1 3.07Å; R161-E197 IonicContact NE-OE2 2.73Å; R161-E197 IonicContact NH2-OE1 3.69Å; R161-E197 IonicContact NH2-OE2 2.71Å; R161-E197 PolarHBondContact NH2-OE2 3.25Å; I193-E197 HydrophobicContact CG1-CG 4.34Å; I193-E197 VanDerWaalsContact O-CB 3.26Å; I193-E197 WeakPolarHBondContact O-CB 3.5Å; I193-E197 VanDerWaalsContact O-CG 3.23Å; I193-E197 WeakPolarHBondContact O-CG 3.34Å; I193-E197 PolarHBondContact O-N 3.38Å; V195-E197 VanDerWaalsContact C-N 3.29Å; V195-E197 PolarHBondContact O-N 2.94Å; E197-M199 VanDerWaalsContact C-N 3.35Å; E197-E200 PolarHBondContact O-N 3.34Å; E197-D201 PolarHBondContact O-N 2.76Å; E197-D201 VanDerWaalsContact O-N 3.09Å
198	T	90.4	Very high	91.2	Very high	6 Å²	6	49.9 Å²	49.9	4%	0.037	27%	0.27	C	S	.	.	H	α-helix	trans	-65.1	-41.1	173	-59.9	0	0	0	0	111.2	V194 V195 D201 I202 I260	V194-T198 WeakPolarHBondContact O-CB 3.07Å; V194-T198 PolarHBondContact O-N 3.08Å; V194-T198 PolarHBondContact O-OG1 3.21Å; V195-T198 PolarHBondContact O-N 3.14Å; T198-D201 PolarHBondContact O-N 3.07Å; T198-I202 HydrophobicContact CG2-CD1 3.7Å; T198-I202 WeakPolarHBondContact O-CG1 3.35Å; T198-I202 PolarHBondContact O-N 3.3Å; T198-I260 HydrophobicContact CG2-CD1 4.31Å; T198-I260 HydrophobicContact CG2-CG2 4.07Å
199	M	90.9	Very high	91.5	Very high	17 Å²	17	46.8 Å²	46.8	8%	0.084	26%	0.255	C	S	.	.	H	α-helix	trans	-61.9	-46	174.2	-66.9	179.7	79.8	0	0	111.1	V195 L196 E197 D201 I202 D203 G208 I210 R253 T256	V195-M199 HydrophobicContact CG1-CG 4.4Å; V195-M199 HydrophobicContact CG1-SD 4.06Å; V195-M199 VanDerWaalsContact O-CG 3.32Å; V195-M199 WeakPolarHBondContact O-CG 3.47Å; V195-M199 PolarHBondContact O-N 2.88Å; L196-M199 PolarHBondContact O-N 2.84Å; E197-M199 VanDerWaalsContact C-N 3.35Å; M199-D201 PolarHBondContact O-N 3.35Å; M199-I202 PolarHBondContact O-N 3.21Å; M199-I202 VanDerWaalsContact O-N 3.07Å; M199-D203 WeakPolarHBondContact O-CB 3.02Å; M199-D203 PolarHBondContact O-N 2.93Å; M199-G208 WeakPolarHBondContact CE-O 3.45Å; M199-I210 HydrophobicContact CG-CD1 4.15Å; M199-R253 HydrophobicContact SD-CB 4.18Å; M199-R253 HydrophobicContact SD-CG 4.21Å; M199-T256 HydrophobicContact CG-CG2 3.98Å
200	E	90.2	Very high	91.6	Very high	89 Å²	89	42 Å²	42	42%	0.416	23%	0.233	S	C	.	.	H	α-helix	trans	-59.2	-30	176.4	-74.5	173.7	176.2	0	0	113.2	R160 L196 E197	R160-E200 IonicContact CZ-OE1 3.75Å; R160-E200 IonicContact CZ-OE2 3.53Å; R160-E200 IonicContact NH1-OE1 3.07Å; R160-E200 PolarHBondContact NH1-OE1 2.71Å; R160-E200 IonicContact NH1-OE2 3.52Å; R160-E200 PolarHBondContact NH1-OE2 3.28Å; R160-E200 IonicContact NH2-OE1 3.56Å; R160-E200 PolarHBondContact NH2-OE1 2.77Å; R160-E200 IonicContact NH2-OE2 3.1Å; R160-E200 PolarHBondContact NH2-OE2 3.23Å; L196-E200 WeakPolarHBondContact O-CG 3.39Å; L196-E200 PolarHBondContact O-N 3.45Å; E197-E200 PolarHBondContact O-N 3.34Å
201	D	88.3	Confident	91.7	Very high	49 Å²	49	44.2 Å²	44.2	26%	0.262	24%	0.244	S	C	.	.	H	α-helix	trans	-75.5	-32	176.8	-72.7	-19.4	0	0	0	112.4	R29 R157 E197 T198 M199 K204	R29-D201 IonicContact NH1-OD2 3.78Å; R157-D201 IonicContact CZ-OD1 2.8Å; R157-D201 IonicContact CZ-OD2 3.94Å; R157-D201 VanDerWaalsContact NH1-CG 3.3Å; R157-D201 IonicContact NH1-OD1 3.61Å; R157-D201 PolarHBondContact NH1-OD1 3.16Å; R157-D201 IonicContact NH1-OD2 3.7Å; R157-D201 PolarHBondContact NH1-OD2 3.44Å; R157-D201 VanDerWaalsContact NH1-OD2 3.1Å; R157-D201 IonicContact NH2-OD2 2.8Å; E197-D201 PolarHBondContact O-N 2.76Å; E197-D201 VanDerWaalsContact O-N 3.09Å; T198-D201 PolarHBondContact O-N 3.07Å; M199-D201 PolarHBondContact O-N 3.35Å; D201-K204 PolarHBondContact O-NZ 2.8Å
202	I	90.3	Very high	91.7	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-100.2	-45.8	-171.2	-60.9	173.3	0	0	0	112.2	T198 M199 K204 I210 E214 D218 W259	T198-I202 HydrophobicContact CG2-CD1 3.7Å; T198-I202 WeakPolarHBondContact O-CG1 3.35Å; T198-I202 PolarHBondContact O-N 3.3Å; M199-I202 PolarHBondContact O-N 3.21Å; M199-I202 VanDerWaalsContact O-N 3.07Å; I202-K204 WeakPolarHBondContact O-CG 3.17Å; I202-K204 PolarHBondContact O-N 3.42Å; I202-I210 HydrophobicContact CB-CD1 4.07Å; I202-I210 HydrophobicContact CB-CG1 4.19Å; I202-I210 HydrophobicContact CD1-CD1 4.05Å; I202-I210 HydrophobicContact CG2-CB 4.34Å; I202-I210 HydrophobicContact CG2-CD1 4.09Å; I202-I210 HydrophobicContact CG2-CG1 3.96Å; I202-I210 HydrophobicContact CG2-CG2 3.54Å; I202-E214 HydrophobicContact CG2-CB 3.97Å; I202-D218 HydrophobicContact CD1-CB 4.41Å; I202-D218 HydrophobicContact CG1-CB 4.08Å; I202-D218 HydrophobicContact CG2-CB 4.41Å; I202-W259 HydrophobicContact CD1-CH2 3.79Å; I202-W259 HydrophobicContact CD1-CZ3 3.74Å
203	D	92.8	Very high	91.7	Very high	24 Å²	24	48.7 Å²	48.7	13%	0.128	27%	0.265	C	S	.	.			trans	-64.3	97.3	178.8	177.7	7.8	0	0	0	110.1	M199 N205 G206 D207 G208	M199-D203 WeakPolarHBondContact O-CB 3.02Å; M199-D203 PolarHBondContact O-N 2.93Å; D203-N205 PolarHBondContact OD1-N 3.2Å; D203-N205 PolarHBondContact OD1-OD1 3.36Å; D203-G206 WeakPolarHBondContact OD1-CA 3.25Å; D203-G206 PolarHBondContact OD1-N 3.14Å; D203-G206 VanDerWaalsContact OD2-CA 3.31Å; D203-G206 WeakPolarHBondContact OD2-CA 3.44Å; D203-D207 PolarHBondContact OD1-N 2.87Å; D203-D207 PolarHBondContact OD2-N 3.38Å; D203-G208 WeakPolarHBondContact OD2-CA 3.39Å; D203-G208 PolarHBondContact OD2-N 3.05Å
204	K	90.5	Very high	91.6	Very high	163 Å²	163	49.4 Å²	49.4	71%	0.709	27%	0.269	S	S	*	.	S	Bend	trans	-84.4	-26.9	-178.4	-61.4	-46.3	-176.3	-167.2	0	111.5	D201 I202 E214	D201-K204 PolarHBondContact O-NZ 2.8Å; I202-K204 WeakPolarHBondContact O-CG 3.17Å; I202-K204 PolarHBondContact O-N 3.42Å; K204-E214 PolarHBondContact N-OE1 2.91Å
205	N	90.9	Very high	91.5	Very high	86 Å²	86	49.1 Å²	49.1	46%	0.46	27%	0.267	S	S	.	.	S	Bend	trans	-89.5	-16	-175	77.2	44.5	0	0	0	112.7	D203 D207 E214	D203-N205 PolarHBondContact OD1-N 3.2Å; D203-N205 PolarHBondContact OD1-OD1 3.36Å; N205-D207 WeakPolarHBondContact OD1-CB 3.2Å; N205-D207 PolarHBondContact OD1-N 3.44Å; N205-D207 PolarHBondContact OD1-OD1 2.94Å; N205-E214 PolarHBondContact N-OE1 3.33Å; N205-E214 VanDerWaalsContact N-OE1 3.08Å; N205-E214 PolarHBondContact ND2-OE1 3.2Å
206	G	91.1	Very high	91.4	Very high	62 Å²	62	49.1 Å²	49.1	64%	0.639	27%	0.267	S	S	*	.			trans	74.5	25.1	175.9	0	0	0	0	0	114.2	D203 G208	D203-G206 WeakPolarHBondContact OD1-CA 3.25Å; D203-G206 PolarHBondContact OD1-N 3.14Å; D203-G206 VanDerWaalsContact OD2-CA 3.31Å; D203-G206 WeakPolarHBondContact OD2-CA 3.44Å; G206-G208 VanDerWaalsContact C-N 3.32Å
207	D	92.2	Very high	91.1	Very high	82 Å²	82	47.9 Å²	47.9	44%	0.439	27%	0.27	S	S	.	.	S	Bend	trans	-86	-5.1	179.9	81.6	-5.7	0	0	0	113.7	D203 N205 F209	D203-D207 PolarHBondContact OD1-N 2.87Å; D203-D207 PolarHBondContact OD2-N 3.38Å; N205-D207 WeakPolarHBondContact OD1-CB 3.2Å; N205-D207 PolarHBondContact OD1-N 3.44Å; N205-D207 PolarHBondContact OD1-OD1 2.94Å; D207-F209 WeakPolarHBondContact O-CD2 3.35Å; D207-F209 WeakPolarHBondContact OD1-CB 3.3Å; D207-F209 PolarHBondContact OD1-N 2.86Å
208	G	91.7	Very high	90.8	Very high	41 Å²	41	48.5 Å²	48.5	42%	0.423	27%	0.274	S	S	.	.	S	Bend	trans	81.1	17.5	178.6	0	0	0	0	0	113.8	M199 D203 G206	M199-G208 WeakPolarHBondContact CE-O 3.45Å; D203-G208 WeakPolarHBondContact OD2-CA 3.39Å; D203-G208 PolarHBondContact OD2-N 3.05Å; G206-G208 VanDerWaalsContact C-N 3.32Å
209	F	94.6	Very high	90.3	Very high	63 Å²	63	48.6 Å²	48.6	28%	0.276	27%	0.273	S	S	.	.	S	Bend	trans	-129.3	165.1	172.3	-59.8	-91.6	0	0	0	109.7	D207 K250 M251 D252	D207-F209 WeakPolarHBondContact O-CD2 3.35Å; D207-F209 WeakPolarHBondContact OD1-CB 3.3Å; D207-F209 PolarHBondContact OD1-N 2.86Å; F209-K250 HydrophobicContact CB-CB 4.13Å; F209-K250 HydrophobicContact CB-CD 3.73Å; F209-K250 HydrophobicContact CB-CG 4.22Å; F209-K250 HydrophobicContact CD1-CD 3.78Å; F209-K250 HydrophobicContact CD1-CG 4.15Å; F209-K250 HydrophobicContact CD2-CD 4.17Å; F209-K250 VanDerWaalsContact CD2-NZ 3.31Å; F209-K250 HydrophobicContact CE1-CD 4.46Å; F209-K250 VanDerWaalsContact CE2-NZ 3.28Å; F209-K250 HydrophobicContact CG-CD 3.62Å; F209-K250 HydrophobicContact CG-CG 4.32Å; F209-M251 WeakPolarHBondContact CA-O 3.43Å; F209-D252 HydrophobicContact CD1-CB 4.06Å; F209-D252 HydrophobicContact CE1-CB 3.97Å
210	I	94.4	Very high	89.8	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	107.8	171.3	-62.9	169.4	0	0	0	107.7	M199 I202 E214 K250 M251 T256 W259	M199-I210 HydrophobicContact CG-CD1 4.15Å; I202-I210 HydrophobicContact CB-CD1 4.07Å; I202-I210 HydrophobicContact CB-CG1 4.19Å; I202-I210 HydrophobicContact CD1-CD1 4.05Å; I202-I210 HydrophobicContact CG2-CB 4.34Å; I202-I210 HydrophobicContact CG2-CD1 4.09Å; I202-I210 HydrophobicContact CG2-CG1 3.96Å; I202-I210 HydrophobicContact CG2-CG2 3.54Å; I210-E214 HydrophobicContact CG2-CB 4.28Å; I210-K250 CarbonylContact O-C 3.54Å; I210-K250 WeakPolarHBondContact O-CA 3.4Å; I210-M251 HydrophobicContact CB-CB 4.25Å; I210-M251 PolarHBondContact N-O 2.86Å; I210-M251 PolarHBondContact O-N 2.97Å; I210-T256 HydrophobicContact CD1-CG2 3.99Å; I210-W259 HydrophobicContact CD1-CZ3 4.48Å
211	D	94.2	Very high	88.9	Confident	46 Å²	46	48.5 Å²	48.5	25%	0.246	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	171.3	174.7	74.3	41.5	0	0	0	112.4	E213 E214 Y215	D211-E213 VanDerWaalsContact C-N 3.26Å; D211-E213 PolarHBondContact O-N 2.78Å; D211-E213 WeakPolarHBondContact OD1-CA 3.43Å; D211-E213 WeakPolarHBondContact OD1-CB 3.24Å; D211-E213 PolarHBondContact OD1-N 3.02Å; D211-E214 PolarHBondContact N-OE2 3.34Å; D211-E214 PolarHBondContact O-N 2.91Å; D211-E214 PolarHBondContact OD1-N 3.41Å; D211-Y215 WeakPolarHBondContact O-CB 3.41Å; D211-Y215 PolarHBondContact O-N 2.85Å
212	L	91.3	Very high	87.8	Confident	53 Å²	53	50.5 Å²	50.5	28%	0.277	28%	0.284	S	S	.	.	H	α-helix	trans	-61.5	-33.7	-179	-179.3	64.4	0	0	0	112.9	I216 R236 F239	L212-I216 HydrophobicContact CD1-CG1 4.06Å; L212-I216 HydrophobicContact CG-CG1 4.49Å; L212-I216 WeakPolarHBondContact O-CB 3.4Å; L212-I216 VanDerWaalsContact O-CG1 3.26Å; L212-I216 WeakPolarHBondContact O-CG1 3.47Å; L212-I216 PolarHBondContact O-N 3.33Å; L212-I216 VanDerWaalsContact O-N 3.11Å; L212-R236 HydrophobicContact CD1-CB 4.32Å; L212-R236 HydrophobicContact CD1-CG 4.15Å; L212-R236 HydrophobicContact CD2-CG 4.43Å; L212-F239 HydrophobicContact CB-CD1 4.35Å; L212-F239 HydrophobicContact CB-CE1 4.16Å; L212-F239 HydrophobicContact CB-CZ 4.45Å; L212-F239 HydrophobicContact CD1-CB 3.77Å; L212-F239 HydrophobicContact CD1-CD1 3.71Å; L212-F239 HydrophobicContact CD1-CD2 4.19Å; L212-F239 HydrophobicContact CD1-CE1 4.33Å; L212-F239 HydrophobicContact CD1-CG 3.62Å
213	E	90.6	Very high	86.2	Confident	159 Å²	159	58 Å²	58	74%	0.743	32%	0.318	S	S	*	.	H	α-helix	trans	-71	-40.1	179.2	-63.9	-173.1	178.6	0	0	110.4	D211 G217	D211-E213 VanDerWaalsContact C-N 3.26Å; D211-E213 PolarHBondContact O-N 2.78Å; D211-E213 WeakPolarHBondContact OD1-CA 3.43Å; D211-E213 WeakPolarHBondContact OD1-CB 3.24Å; D211-E213 PolarHBondContact OD1-N 3.02Å; E213-G217 WeakPolarHBondContact O-CA 3.41Å; E213-G217 PolarHBondContact O-N 3.12Å
214	E	92.1	Very high	84.4	Confident	18 Å²	18	64.1 Å²	64.1	8%	0.084	35%	0.352	C	S	.	.	H	α-helix	trans	-67.7	-44.6	175.5	-67.7	172.6	147.9	0	0	112.1	I202 K204 N205 I210 D211 G217 D218	I202-E214 HydrophobicContact CG2-CB 3.97Å; K204-E214 PolarHBondContact N-OE1 2.91Å; N205-E214 PolarHBondContact N-OE1 3.33Å; N205-E214 VanDerWaalsContact N-OE1 3.08Å; N205-E214 PolarHBondContact ND2-OE1 3.2Å; I210-E214 HydrophobicContact CG2-CB 4.28Å; D211-E214 PolarHBondContact N-OE2 3.34Å; D211-E214 PolarHBondContact O-N 2.91Å; D211-E214 PolarHBondContact OD1-N 3.41Å; E214-G217 PolarHBondContact O-N 2.96Å; E214-D218 PolarHBondContact O-N 3.4Å
215	Y	89.8	Confident	82.9	Confident	1 Å²	1	60.2 Å²	60.2	0%	0.004	34%	0.336	C	S	.	.	H	α-helix	trans	-57.5	-50.7	175.7	175.8	-100.6	0	0	0	111.9	D211 G217 M219 E235 F239 M251 W259	D211-Y215 WeakPolarHBondContact O-CB 3.41Å; D211-Y215 PolarHBondContact O-N 2.85Å; Y215-G217 VanDerWaalsContact C-N 3.34Å; Y215-M219 HydrophobicContact CE1-SD 4.32Å; Y215-M219 HydrophobicContact CE2-CE 4.5Å; Y215-E235 HydrophobicContact CE1-CB 4.31Å; Y215-E235 PolarHBondContact OH-OE2 3.22Å; Y215-F239 HydrophobicContact CD1-CB 4.23Å; Y215-F239 AromaticContact CD1-CD2 3.58Å; Y215-F239 HydrophobicContact CD1-CD2 3.58Å; Y215-F239 HydrophobicContact CD1-CE2 4.37Å; Y215-F239 HydrophobicContact CD1-CG 4.29Å; Y215-F239 AromaticContact CD2-CD2 3.98Å; Y215-F239 HydrophobicContact CD2-CD2 3.98Å; Y215-F239 HydrophobicContact CD2-CE2 4.3Å; Y215-F239 HydrophobicContact CE1-CB 4.2Å; Y215-F239 HydrophobicContact CE1-CD2 4.11Å; Y215-F239 HydrophobicContact CE2-CD2 4.45Å; Y215-F239 AromaticContact CG-CD2 3.53Å; Y215-F239 HydrophobicContact CG-CD2 3.53Å; Y215-F239 AromaticContact CG-CE2 3.91Å; Y215-F239 HydrophobicContact CG-CE2 3.91Å; Y215-M251 HydrophobicContact CD2-SD 4.18Å; Y215-W259 AromaticContact CD2-CH2 3.98Å; Y215-W259 HydrophobicContact CD2-CH2 3.98Å; Y215-W259 HydrophobicContact CD2-CZ2 4.19Å; Y215-W259 HydrophobicContact CD2-CZ3 4.25Å; Y215-W259 HydrophobicContact CE2-CD2 4.26Å; Y215-W259 AromaticContact CE2-CE2 3.79Å; Y215-W259 AromaticContact CE2-CH2 3.86Å; Y215-W259 HydrophobicContact CE2-CH2 3.86Å; Y215-W259 AromaticContact CE2-CZ2 3.59Å; Y215-W259 HydrophobicContact CE2-CZ2 3.59Å; Y215-W259 HydrophobicContact CE2-CZ3 4.31Å
216	I	88.4	Confident	81.4	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.005	36%	0.359	C	S	.	.	H	α-helix	trans	-69.2	-36.6	177.7	-62.6	-60.9	0	0	0	110.7	L212 D218 M219 Y220 V232 E235 R236	L212-I216 HydrophobicContact CD1-CG1 4.06Å; L212-I216 HydrophobicContact CG-CG1 4.49Å; L212-I216 WeakPolarHBondContact O-CB 3.4Å; L212-I216 VanDerWaalsContact O-CG1 3.26Å; L212-I216 WeakPolarHBondContact O-CG1 3.47Å; L212-I216 PolarHBondContact O-N 3.33Å; L212-I216 VanDerWaalsContact O-N 3.11Å; I216-D218 VanDerWaalsContact C-N 3.3Å; I216-D218 PolarHBondContact O-N 3.31Å; I216-M219 PolarHBondContact O-N 3.43Å; I216-Y220 PolarHBondContact O-N 3.16Å; I216-V232 HydrophobicContact CD1-CG1 4.26Å; I216-V232 HydrophobicContact CG2-CG1 3.59Å; I216-E235 HydrophobicContact CD1-CB 3.77Å; I216-R236 HydrophobicContact CD1-CG 3.89Å; I216-R236 HydrophobicContact CG1-CG 3.97Å
217	G	86.3	Confident	80.4	Confident	40 Å²	40	68.8 Å²	68.8	41%	0.412	36%	0.363	S	S	.	.	H	α-helix	trans	-63.5	-30.5	178.9	0	0	0	0	0	114	E213 E214 Y215	E213-G217 WeakPolarHBondContact O-CA 3.41Å; E213-G217 PolarHBondContact O-N 3.12Å; E214-G217 PolarHBondContact O-N 2.96Å; Y215-G217 VanDerWaalsContact C-N 3.34Å
218	D	85.4	Confident	79.5	Confident	17 Å²	17	69 Å²	69	9%	0.091	36%	0.361	C	S	.	.	H	α-helix	trans	-66.1	-41.2	172.9	-173.2	59.4	0	0	0	111.6	K27 R29 I202 E214 I216	K27-D218 WeakPolarHBondContact CD-O 3.33Å; K27-D218 PolarHBondContact NZ-O 3.11Å; R29-D218 WeakPolarHBondContact CG-OD2 3.01Å; R29-D218 IonicContact CZ-OD1 3.19Å; R29-D218 IonicContact CZ-OD2 2.77Å; R29-D218 IonicContact NE-OD1 3.19Å; R29-D218 IonicContact NE-OD2 2.63Å; R29-D218 PolarHBondContact NE-OD2 3.46Å; R29-D218 IonicContact NH2-OD1 3.28Å; R29-D218 PolarHBondContact NH2-OD1 2.92Å; R29-D218 IonicContact NH2-OD2 3.47Å; I202-D218 HydrophobicContact CD1-CB 4.41Å; I202-D218 HydrophobicContact CG1-CB 4.08Å; I202-D218 HydrophobicContact CG2-CB 4.41Å; E214-D218 PolarHBondContact O-N 3.4Å; I216-D218 VanDerWaalsContact C-N 3.3Å; I216-D218 PolarHBondContact O-N 3.31Å
219	M	81.4	Confident	79.2	Confident	7 Å²	7	68 Å²	68	3%	0.034	35%	0.347	C	S	.	.	H	α-helix	trans	-82.8	-34.5	-176.9	-65	-173.6	154	0	0	114.2	K26 Y215 I216 W231 E235 W259	K26-M219 VanDerWaalsContact CE-SD 3.53Å; K26-M219 HydrophobicContact CG-SD 4.38Å; Y215-M219 HydrophobicContact CE1-SD 4.32Å; Y215-M219 HydrophobicContact CE2-CE 4.5Å; I216-M219 PolarHBondContact O-N 3.43Å; M219-W231 HydrophobicContact CB-CH2 4Å; M219-W231 HydrophobicContact CB-CZ3 4.15Å; M219-W231 HydrophobicContact SD-CZ3 4.35Å; M219-E235 HydrophobicContact SD-CG 4.22Å; M219-W259 HydrophobicContact CE-CZ2 4.35Å
220	Y	79.1	Confident	78.6	Confident	4 Å²	4	73.1 Å²	73.1	2%	0.016	37%	0.372	C	S	.	.			trans	-140.2	111.9	-169.9	177.7	-116	0	0	0	111.6	T24 I216 H222 E225 P229 W231 V232	T24-Y220 HydrophobicContact CG2-CD2 3.97Å; T24-Y220 HydrophobicContact CG2-CE2 4.16Å; I216-Y220 PolarHBondContact O-N 3.16Å; Y220-H222 AromaticContact CD1-CE1 3.44Å; Y220-H222 VanDerWaalsContact CD1-CE1 3.44Å; Y220-H222 WeakPolarHBondContact CD1-CE1 3.44Å; Y220-H222 AromaticContact CD1-CG 3.89Å; Y220-H222 AromaticContact CD1-ND1 3.48Å; Y220-H222 WeakPolarHBondContact CD1-ND1 3.07Å; Y220-H222 AromaticContact CD1-NE2 3.79Å; Y220-H222 HydrophobicContact CE1-CB 4.3Å; Y220-H222 AromaticContact CE1-CD2 3.6Å; Y220-H222 AromaticContact CE1-CE1 3.81Å; Y220-H222 AromaticContact CE1-CG 3.6Å; Y220-H222 AromaticContact CE1-ND1 3.72Å; Y220-H222 AromaticContact CE1-NE2 3.75Å; Y220-H222 PolarHBondContact O-ND1 2.66Å; Y220-E225 WeakPolarHBondContact OH-CB 3.46Å; Y220-P229 HydrophobicContact CD2-CG 4.45Å; Y220-P229 HydrophobicContact CE2-CG 3.91Å; Y220-W231 HydrophobicContact CD2-CZ2 4.14Å; Y220-W231 HydrophobicContact CG-CH2 4.5Å; Y220-W231 HydrophobicContact CG-CZ2 4.34Å; Y220-V232 HydrophobicContact CD1-CG2 3.94Å; Y220-V232 HydrophobicContact CD2-CG2 4.45Å; Y220-V232 HydrophobicContact CG-CG2 3.92Å
221	N	71.4	Confident	78	Confident	101 Å²	101	76.1 Å²	76.1	54%	0.54	38%	0.384	S	S	.	.			trans	-86.1	119.9	171.2	-165.7	9.6	0	0	0	110	E223	N221-E223 PolarHBondContact ND2-OE2 2.85Å; N221-E223 PolarHBondContact O-N 2.93Å
222	H	64.6	Low	77.6	Confident	90 Å²	90	74 Å²	74	42%	0.417	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-1.1	-174.4	-67.7	66	0	0	0	113.6	Y220 D224 E228	Y220-H222 AromaticContact CD1-CE1 3.44Å; Y220-H222 VanDerWaalsContact CD1-CE1 3.44Å; Y220-H222 WeakPolarHBondContact CD1-CE1 3.44Å; Y220-H222 AromaticContact CD1-CG 3.89Å; Y220-H222 AromaticContact CD1-ND1 3.48Å; Y220-H222 WeakPolarHBondContact CD1-ND1 3.07Å; Y220-H222 AromaticContact CD1-NE2 3.79Å; Y220-H222 HydrophobicContact CE1-CB 4.3Å; Y220-H222 AromaticContact CE1-CD2 3.6Å; Y220-H222 AromaticContact CE1-CE1 3.81Å; Y220-H222 AromaticContact CE1-CG 3.6Å; Y220-H222 AromaticContact CE1-ND1 3.72Å; Y220-H222 AromaticContact CE1-NE2 3.75Å; Y220-H222 PolarHBondContact O-ND1 2.66Å; H222-D224 VanDerWaalsContact C-N 3.29Å; H222-D224 PolarHBondContact O-N 3Å; H222-E228 IonicContact NE2-OE2 3.81Å
223	E	58.3	Low	77.3	Confident	159 Å²	159	73.5 Å²	73.5	74%	0.743	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-18.9	-168.5	-72.8	-177.1	148.5	0	0	114.4	N221	N221-E223 PolarHBondContact ND2-OE2 2.85Å; N221-E223 PolarHBondContact O-N 2.93Å
224	D	54.7	Low	77.1	Confident	154 Å²	154	68.9 Å²	68.9	82%	0.824	36%	0.359	S	S	*	.	S	Bend	trans	-114.8	-7.1	-170.6	-73.9	-38.8	0	0	0	115.8	H222	H222-D224 VanDerWaalsContact C-N 3.29Å; H222-D224 PolarHBondContact O-N 3Å
225	E	59.1	Low	76.8	Confident	80 Å²	80	68.6 Å²	68.6	37%	0.374	36%	0.357	S	S	.	.			trans	-129.7	135.5	-174.1	-71.9	-177.4	-153.5	0	0	113	T24 Y220	T24-E225 PolarHBondContact OG1-OE1 2.92Å; Y220-E225 WeakPolarHBondContact OH-CB 3.46Å
226	M	59	Low	76.8	Confident	192 Å²	192	71.9 Å²	71.9	95%	0.946	37%	0.37	S	S	*	.	S	Bend	trans	-77.9	-20	-177.3	-71.5	-171.6	63.4	0	0	113.9
227	D	70.4	Confident	76.9	Confident	136 Å²	136	77.7 Å²	77.7	73%	0.727	40%	0.397	S	S	*	.	S	Bend	trans	-128.1	134.1	-176.2	-67.6	-43.2	0	0	0	109.6
228	E	73.8	Confident	76.9	Confident	86 Å²	86	78.7 Å²	78.7	40%	0.402	39%	0.391	S	S	.	.			trans	-69.4	127.6	177	-177.7	174.2	104.2	0	0	110.3	H222 V232 R236	H222-E228 IonicContact NE2-OE2 3.81Å; E228-V232 HydrophobicContact CG-CB 3.6Å; E228-V232 HydrophobicContact CG-CG1 3.58Å; E228-V232 HydrophobicContact CG-CG2 4.23Å; E228-R236 IonicContact OE1-NE 3.42Å; E228-R236 PolarHBondContact OE1-NE 3.23Å; E228-R236 IonicContact OE2-CZ 3.67Å; E228-R236 IonicContact OE2-NE 3.02Å; E228-R236 PolarHBondContact OE2-NE 3.04Å; E228-R236 IonicContact OE2-NH2 3.64Å; E228-R236 PolarHBondContact OE2-NH2 3.38Å
229	P	83.6	Confident	77.2	Confident	20 Å²	20	78.1 Å²	78.1	13%	0.13	39%	0.387	C	S	.	.			trans	-61.2	147.3	176.9	-24.3	32.9	0	0	0	113.3	Y220 W231 V232	Y220-P229 HydrophobicContact CD2-CG 4.45Å; Y220-P229 HydrophobicContact CE2-CG 3.91Å; P229-W231 HydrophobicContact CB-CG 4.16Å; P229-W231 PolarHBondContact O-N 2.65Å; P229-V232 HydrophobicContact CB-CG2 4.16Å; P229-V232 HydrophobicContact CG-CG2 4.2Å; P229-V232 WeakPolarHBondContact O-CB 3.46Å; P229-V232 PolarHBondContact O-N 3.33Å
230	E	82.6	Confident	77.5	Confident	171 Å²	171	80.5 Å²	80.5	80%	0.799	41%	0.405	S	S	*	.	H	α-helix	trans	-60	-30.1	-179.9	-169.4	176.6	-167.1	0	0	113.2	V232 A233 T234	E230-V232 VanDerWaalsContact C-N 3.3Å; E230-V232 PolarHBondContact O-N 3.03Å; E230-A233 PolarHBondContact O-N 3.07Å; E230-T234 PolarHBondContact O-N 2.99Å; E230-T234 VanDerWaalsContact O-N 3.15Å; E230-T234 PolarHBondContact O-OG1 2.71Å; E230-T234 VanDerWaalsContact O-OG1 3.08Å
231	W	81.6	Confident	78	Confident	64 Å²	64	86.2 Å²	86.2	24%	0.242	43%	0.432	C	S	.	.	H	α-helix	trans	-66.5	-31.3	175	72	-100.2	0	0	0	112.2	K26 M219 Y220 P229 T234 E235	K26-W231 HydrophobicContact CB-CH2 4.35Å; K26-W231 HydrophobicContact CB-CZ3 4.49Å; K26-W231 HydrophobicContact CD-CE3 4.35Å; K26-W231 HydrophobicContact CD-CZ3 4.2Å; K26-W231 HydrophobicContact CG-CH2 4.25Å; K26-W231 HydrophobicContact CG-CZ3 4.04Å; M219-W231 HydrophobicContact CB-CH2 4Å; M219-W231 HydrophobicContact CB-CZ3 4.15Å; M219-W231 HydrophobicContact SD-CZ3 4.35Å; Y220-W231 HydrophobicContact CD2-CZ2 4.14Å; Y220-W231 HydrophobicContact CG-CH2 4.5Å; Y220-W231 HydrophobicContact CG-CZ2 4.34Å; P229-W231 HydrophobicContact CB-CG 4.16Å; P229-W231 PolarHBondContact O-N 2.65Å; W231-T234 WeakPolarHBondContact O-CB 3.05Å; W231-T234 PolarHBondContact O-N 3.49Å; W231-E235 HydrophobicContact CE3-CG 3.79Å; W231-E235 HydrophobicContact CZ3-CG 4.02Å; W231-E235 WeakPolarHBondContact O-CG 3.09Å; W231-E235 PolarHBondContact O-N 3.38Å
232	V	85.7	Confident	78.7	Confident	0 Å²	0	87.5 Å²	87.5	0%	0	43%	0.433	C	S	.	.	H	α-helix	trans	-66.6	-42.7	176.6	176.8	0	0	0	0	110.1	I216 Y220 E228 P229 E230 T234 E235 R236	I216-V232 HydrophobicContact CD1-CG1 4.26Å; I216-V232 HydrophobicContact CG2-CG1 3.59Å; Y220-V232 HydrophobicContact CD1-CG2 3.94Å; Y220-V232 HydrophobicContact CD2-CG2 4.45Å; Y220-V232 HydrophobicContact CG-CG2 3.92Å; E228-V232 HydrophobicContact CG-CB 3.6Å; E228-V232 HydrophobicContact CG-CG1 3.58Å; E228-V232 HydrophobicContact CG-CG2 4.23Å; P229-V232 HydrophobicContact CB-CG2 4.16Å; P229-V232 HydrophobicContact CG-CG2 4.2Å; P229-V232 WeakPolarHBondContact O-CB 3.46Å; P229-V232 PolarHBondContact O-N 3.33Å; E230-V232 VanDerWaalsContact C-N 3.3Å; E230-V232 PolarHBondContact O-N 3.03Å; V232-T234 VanDerWaalsContact C-N 3.26Å; V232-T234 PolarHBondContact O-N 2.88Å; V232-E235 PolarHBondContact O-N 2.81Å; V232-E235 VanDerWaalsContact O-N 3.17Å; V232-R236 WeakPolarHBondContact O-CG 3.24Å; V232-R236 PolarHBondContact O-N 2.91Å
233	A	85.2	Confident	79.9	Confident	43 Å²	43	85.7 Å²	85.7	36%	0.355	42%	0.422	S	S	.	.	H	α-helix	trans	-59.3	-39.8	173.6	0	0	0	0	0	111.7	E230 R236 E237	E230-A233 PolarHBondContact O-N 3.07Å; A233-R236 PolarHBondContact O-N 3.07Å; A233-E237 PolarHBondContact O-N 3.45Å
234	T	86.1	Confident	81.5	Confident	63 Å²	63	78.5 Å²	78.5	39%	0.387	39%	0.389	S	S	.	.	H	α-helix	trans	-65.4	-41.6	175.4	-52.9	0	0	0	0	111.7	E230 W231 V232 R236 E237 Q238	E230-T234 PolarHBondContact O-N 2.99Å; E230-T234 VanDerWaalsContact O-N 3.15Å; E230-T234 PolarHBondContact O-OG1 2.71Å; E230-T234 VanDerWaalsContact O-OG1 3.08Å; W231-T234 WeakPolarHBondContact O-CB 3.05Å; W231-T234 PolarHBondContact O-N 3.49Å; V232-T234 VanDerWaalsContact C-N 3.26Å; V232-T234 PolarHBondContact O-N 2.88Å; T234-R236 VanDerWaalsContact C-N 3.33Å; T234-R236 PolarHBondContact O-N 2.64Å; T234-E237 PolarHBondContact O-N 2.88Å; T234-Q238 WeakPolarHBondContact O-CG 3.5Å; T234-Q238 PolarHBondContact O-N 2.88Å
235	E	86.9	Confident	83.2	Confident	12 Å²	12	77 Å²	77	6%	0.056	38%	0.375	C	S	.	.	H	α-helix	trans	-64.7	-35.7	175.9	-73.9	-60.4	144	0	0	112.4	K26 Y215 I216 M219 W231 V232 E237 Q238 F239	K26-E235 VanDerWaalsContact NZ-CD 3.27Å; K26-E235 IonicContact NZ-OE1 3.78Å; K26-E235 PolarHBondContact NZ-OE1 3.27Å; K26-E235 IonicContact NZ-OE2 3.19Å; Y215-E235 HydrophobicContact CE1-CB 4.31Å; Y215-E235 PolarHBondContact OH-OE2 3.22Å; I216-E235 HydrophobicContact CD1-CB 3.77Å; M219-E235 HydrophobicContact SD-CG 4.22Å; W231-E235 HydrophobicContact CE3-CG 3.79Å; W231-E235 HydrophobicContact CZ3-CG 4.02Å; W231-E235 WeakPolarHBondContact O-CG 3.09Å; W231-E235 PolarHBondContact O-N 3.38Å; V232-E235 PolarHBondContact O-N 2.81Å; V232-E235 VanDerWaalsContact O-N 3.17Å; E235-E237 VanDerWaalsContact C-N 3.33Å; E235-E237 PolarHBondContact O-N 3.49Å; E235-Q238 PolarHBondContact O-N 2.72Å; E235-F239 WeakPolarHBondContact O-CB 3.29Å; E235-F239 PolarHBondContact O-N 3.05Å
236	R	89.7	Confident	84.8	Confident	69 Å²	69	77 Å²	77	26%	0.26	38%	0.377	S	S	.	.	H	α-helix	trans	-62.9	-41	173.7	-67.1	176.1	-175.3	-69.1	1.6	111.7	L212 I216 E228 V232 A233 T234 S240	L212-R236 HydrophobicContact CD1-CB 4.32Å; L212-R236 HydrophobicContact CD1-CG 4.15Å; L212-R236 HydrophobicContact CD2-CG 4.43Å; I216-R236 HydrophobicContact CD1-CG 3.89Å; I216-R236 HydrophobicContact CG1-CG 3.97Å; E228-R236 IonicContact OE1-NE 3.42Å; E228-R236 PolarHBondContact OE1-NE 3.23Å; E228-R236 IonicContact OE2-CZ 3.67Å; E228-R236 IonicContact OE2-NE 3.02Å; E228-R236 PolarHBondContact OE2-NE 3.04Å; E228-R236 IonicContact OE2-NH2 3.64Å; E228-R236 PolarHBondContact OE2-NH2 3.38Å; V232-R236 WeakPolarHBondContact O-CG 3.24Å; V232-R236 PolarHBondContact O-N 2.91Å; A233-R236 PolarHBondContact O-N 3.07Å; T234-R236 VanDerWaalsContact C-N 3.33Å; T234-R236 PolarHBondContact O-N 2.64Å; R236-S240 PolarHBondContact O-N 3.39Å
237	E	89.4	Confident	86.4	Confident	123 Å²	123	75.3 Å²	75.3	58%	0.575	37%	0.365	S	S	*	.	H	α-helix	trans	-64	-48.7	173.1	-69.7	-178.5	176.1	0	0	110.5	A233 T234 E235 F239 S240 E241	A233-E237 PolarHBondContact O-N 3.45Å; T234-E237 PolarHBondContact O-N 2.88Å; E235-E237 VanDerWaalsContact C-N 3.33Å; E235-E237 PolarHBondContact O-N 3.49Å; E237-F239 VanDerWaalsContact C-N 3.29Å; E237-F239 PolarHBondContact O-N 2.94Å; E237-S240 PolarHBondContact O-N 3.3Å; E237-S240 VanDerWaalsContact O-N 3.14Å; E237-S240 PolarHBondContact O-OG 3.47Å; E237-E241 WeakPolarHBondContact O-CB 3.4Å; E237-E241 WeakPolarHBondContact O-CG 3.47Å; E237-E241 PolarHBondContact O-N 3.42Å
238	Q	87.1	Confident	87.5	Confident	61 Å²	61	72.5 Å²	72.5	29%	0.285	35%	0.35	S	S	.	.	H	α-helix	trans	-58.7	-39	178.5	-73.9	-168	26.2	0	0	113.2	T234 E235 E241 F242 R243	T234-Q238 WeakPolarHBondContact O-CG 3.5Å; T234-Q238 PolarHBondContact O-N 2.88Å; E235-Q238 PolarHBondContact O-N 2.72Å; Q238-E241 PolarHBondContact O-N 3.34Å; Q238-F242 WeakPolarHBondContact O-CB 3.45Å; Q238-F242 PolarHBondContact O-N 3.35Å; Q238-R243 PolarHBondContact O-N 2.73Å
239	F	90.6	Very high	88.4	Confident	5 Å²	5	70.5 Å²	70.5	2%	0.022	35%	0.352	C	S	.	.	I	π-helix	trans	-55.8	-55	174.8	-179.1	-85.9	0	0	0	110.3	L212 Y215 E235 E237 E241 R243 D244 M251	L212-F239 HydrophobicContact CB-CD1 4.35Å; L212-F239 HydrophobicContact CB-CE1 4.16Å; L212-F239 HydrophobicContact CB-CZ 4.45Å; L212-F239 HydrophobicContact CD1-CB 3.77Å; L212-F239 HydrophobicContact CD1-CD1 3.71Å; L212-F239 HydrophobicContact CD1-CD2 4.19Å; L212-F239 HydrophobicContact CD1-CE1 4.33Å; L212-F239 HydrophobicContact CD1-CG 3.62Å; Y215-F239 HydrophobicContact CD1-CB 4.23Å; Y215-F239 AromaticContact CD1-CD2 3.58Å; Y215-F239 HydrophobicContact CD1-CD2 3.58Å; Y215-F239 HydrophobicContact CD1-CE2 4.37Å; Y215-F239 HydrophobicContact CD1-CG 4.29Å; Y215-F239 AromaticContact CD2-CD2 3.98Å; Y215-F239 HydrophobicContact CD2-CD2 3.98Å; Y215-F239 HydrophobicContact CD2-CE2 4.3Å; Y215-F239 HydrophobicContact CE1-CB 4.2Å; Y215-F239 HydrophobicContact CE1-CD2 4.11Å; Y215-F239 HydrophobicContact CE2-CD2 4.45Å; Y215-F239 AromaticContact CG-CD2 3.53Å; Y215-F239 HydrophobicContact CG-CD2 3.53Å; Y215-F239 AromaticContact CG-CE2 3.91Å; Y215-F239 HydrophobicContact CG-CE2 3.91Å; E235-F239 WeakPolarHBondContact O-CB 3.29Å; E235-F239 PolarHBondContact O-N 3.05Å; E237-F239 VanDerWaalsContact C-N 3.29Å; E237-F239 PolarHBondContact O-N 2.94Å; F239-E241 VanDerWaalsContact C-N 3.33Å; F239-E241 PolarHBondContact O-N 3.01Å; F239-R243 HydrophobicContact CD2-CB 4.22Å; F239-R243 WeakPolarHBondContact O-CA 3.46Å; F239-R243 WeakPolarHBondContact O-CB 3.13Å; F239-R243 PolarHBondContact O-N 3.29Å; F239-D244 HydrophobicContact CD1-CB 4.31Å; F239-D244 HydrophobicContact CE1-CB 4.02Å; F239-D244 PolarHBondContact O-N 2.96Å; F239-M251 HydrophobicContact CD2-CG 4.34Å; F239-M251 HydrophobicContact CD2-SD 3.9Å; F239-M251 HydrophobicContact CE2-CG 3.53Å; F239-M251 HydrophobicContact CE2-SD 3.47Å; F239-M251 WeakPolarHBondContact CE2-SD 3.4Å; F239-M251 HydrophobicContact CZ-CG 3.83Å; F239-M251 HydrophobicContact CZ-SD 4.37Å
240	S	89.6	Confident	88.9	Confident	57 Å²	57	72.1 Å²	72.1	40%	0.399	36%	0.357	S	S	.	.	I	π-helix	trans	-70.2	-25.3	-176.5	71	0	0	0	0	114.7	R236 E237	R236-S240 PolarHBondContact O-N 3.39Å; E237-S240 PolarHBondContact O-N 3.3Å; E237-S240 VanDerWaalsContact O-N 3.14Å; E237-S240 PolarHBondContact O-OG 3.47Å
241	E	88.4	Confident	89.5	Confident	125 Å²	125	64 Å²	64	58%	0.584	32%	0.319	S	S	*	.	I	π-helix	trans	-93.1	-35.8	-177	-70.6	-162.8	158.6	0	0	113.2	E237 Q238 F239	E237-E241 WeakPolarHBondContact O-CB 3.4Å; E237-E241 WeakPolarHBondContact O-CG 3.47Å; E237-E241 PolarHBondContact O-N 3.42Å; Q238-E241 PolarHBondContact O-N 3.34Å; F239-E241 VanDerWaalsContact C-N 3.33Å; F239-E241 PolarHBondContact O-N 3.01Å
242	F	86.8	Confident	90.1	Very high	127 Å²	127	62.8 Å²	62.8	56%	0.557	32%	0.317	S	S	*	.	I	π-helix	trans	-126.3	-28.4	-168.5	-61.6	-78.8	0	0	0	114.8	Q238	Q238-F242 WeakPolarHBondContact O-CB 3.45Å; Q238-F242 PolarHBondContact O-N 3.35Å
243	R	89.1	Confident	90.4	Very high	53 Å²	53	67.4 Å²	67.4	20%	0.2	34%	0.335	C	S	.	.	I	π-helix	trans	-89.6	-51.3	-177.5	-54.1	-63.6	-176.6	-86.4	-12.4	111.4	Q238 F239 K245 M251 E255 W259	Q238-R243 PolarHBondContact O-N 2.73Å; F239-R243 HydrophobicContact CD2-CB 4.22Å; F239-R243 WeakPolarHBondContact O-CA 3.46Å; F239-R243 WeakPolarHBondContact O-CB 3.13Å; F239-R243 PolarHBondContact O-N 3.29Å; R243-K245 PolarHBondContact O-N 3.15Å; R243-K245 VanDerWaalsContact O-N 3.14Å; R243-M251 HydrophobicContact CB-CE 4.04Å; R243-M251 HydrophobicContact CB-CG 4.18Å; R243-M251 HydrophobicContact CB-SD 3.65Å; R243-M251 HydrophobicContact CG-SD 4.37Å; R243-E255 WeakPolarHBondContact O-CB 3.33Å; R243-W259 VanDerWaalsContact NE-CD1 3.31Å
244	D	92.3	Very high	90.7	Very high	8 Å²	8	72.3 Å²	72.3	4%	0.043	35%	0.35	C	S	.	.			trans	-81	85.6	172.4	177	9.1	0	0	0	109.5	F239 N246 K247 D248 G249	F239-D244 HydrophobicContact CD1-CB 4.31Å; F239-D244 HydrophobicContact CE1-CB 4.02Å; F239-D244 PolarHBondContact O-N 2.96Å; D244-N246 PolarHBondContact OD1-OD1 3.38Å; D244-K247 VanDerWaalsContact CG-CA 3.47Å; D244-K247 WeakPolarHBondContact OD1-CA 3.47Å; D244-K247 PolarHBondContact OD1-N 3.04Å; D244-K247 VanDerWaalsContact OD2-CA 3.29Å; D244-K247 WeakPolarHBondContact OD2-CA 3.36Å; D244-D248 PolarHBondContact OD1-N 3.23Å; D244-D248 VanDerWaalsContact OD1-N 3.14Å; D244-D248 PolarHBondContact OD2-N 3.48Å; D244-G249 VanDerWaalsContact OD2-CA 3.24Å; D244-G249 WeakPolarHBondContact OD2-CA 3.36Å; D244-G249 PolarHBondContact OD2-N 3.13Å
245	K	91.2	Very high	91	Very high	123 Å²	123	69.8 Å²	69.8	54%	0.535	33%	0.334	S	S	.	.	S	Bend	trans	-72.3	-36.3	-176.9	-66.4	-178.7	179.5	-179.2	0	110.9	R243 K247 E255 D258	R243-K245 PolarHBondContact O-N 3.15Å; R243-K245 VanDerWaalsContact O-N 3.14Å; K245-K247 VanDerWaalsContact C-N 3.35Å; K245-E255 WeakPolarHBondContact CA-OE1 3.05Å; K245-E255 HydrophobicContact CB-CG 4.32Å; K245-E255 WeakPolarHBondContact CB-OE1 3.39Å; K245-E255 HydrophobicContact CG-CG 4.39Å; K245-E255 PolarHBondContact N-OE1 3.41Å; K245-D258 IonicContact NZ-OD2 2.72Å; K245-D258 PolarHBondContact NZ-OD2 2.84Å
246	N	92.4	Very high	91.2	Very high	79 Å²	79	69.2 Å²	69.2	42%	0.422	33%	0.331	S	S	.	.	S	Bend	trans	-83.7	-12.9	-176.8	76.8	35.8	0	0	0	113	D244 D248 D252 E255	D244-N246 PolarHBondContact OD1-OD1 3.38Å; N246-D248 WeakPolarHBondContact OD1-CB 3.47Å; N246-D248 PolarHBondContact OD1-N 2.83Å; N246-D248 PolarHBondContact OD1-OD1 3.42Å; N246-D248 VanDerWaalsContact OD1-OD1 3.1Å; N246-D252 PolarHBondContact ND2-OD2 3.3Å; N246-E255 PolarHBondContact N-OE1 3.21Å; N246-E255 PolarHBondContact ND2-OE1 2.82Å
247	K	93	Very high	91.2	Very high	156 Å²	156	68 Å²	68	68%	0.678	33%	0.329	S	S	*	.			trans	64.6	34.1	178.6	-55.2	-166	176.5	-158.2	0	114.3	D244 K245	D244-K247 VanDerWaalsContact CG-CA 3.47Å; D244-K247 WeakPolarHBondContact OD1-CA 3.47Å; D244-K247 PolarHBondContact OD1-N 3.04Å; D244-K247 VanDerWaalsContact OD2-CA 3.29Å; D244-K247 WeakPolarHBondContact OD2-CA 3.36Å; K245-K247 VanDerWaalsContact C-N 3.35Å
248	D	92.9	Very high	91.1	Very high	78 Å²	78	65.6 Å²	65.6	42%	0.417	32%	0.32	S	S	.	.	S	Bend	trans	-91	-0.2	177.3	81.4	-8.9	0	0	0	113.6	D244 N246 K250	D244-D248 PolarHBondContact OD1-N 3.23Å; D244-D248 VanDerWaalsContact OD1-N 3.14Å; D244-D248 PolarHBondContact OD2-N 3.48Å; N246-D248 WeakPolarHBondContact OD1-CB 3.47Å; N246-D248 PolarHBondContact OD1-N 2.83Å; N246-D248 PolarHBondContact OD1-OD1 3.42Å; N246-D248 VanDerWaalsContact OD1-OD1 3.1Å; D248-K250 WeakPolarHBondContact OD1-CG 3.32Å; D248-K250 PolarHBondContact OD1-N 2.97Å; D248-K250 WeakPolarHBondContact OD2-CE 3.5Å
249	G	91.8	Very high	91.1	Very high	43 Å²	43	63.2 Å²	63.2	44%	0.443	31%	0.309	S	S	.	.	S	Bend	trans	90.8	6.4	174.4	0	0	0	0	0	114.4	D244	D244-G249 VanDerWaalsContact OD2-CA 3.24Å; D244-G249 WeakPolarHBondContact OD2-CA 3.36Å; D244-G249 PolarHBondContact OD2-N 3.13Å
250	K	94.8	Very high	90.9	Very high	54 Å²	54	63 Å²	63	24%	0.235	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	159.3	-176.8	54.6	-176.1	-173.9	162.7	0	109.5	F209 I210 D248	F209-K250 HydrophobicContact CB-CB 4.13Å; F209-K250 HydrophobicContact CB-CD 3.73Å; F209-K250 HydrophobicContact CB-CG 4.22Å; F209-K250 HydrophobicContact CD1-CD 3.78Å; F209-K250 HydrophobicContact CD1-CG 4.15Å; F209-K250 HydrophobicContact CD2-CD 4.17Å; F209-K250 VanDerWaalsContact CD2-NZ 3.31Å; F209-K250 HydrophobicContact CE1-CD 4.46Å; F209-K250 VanDerWaalsContact CE2-NZ 3.28Å; F209-K250 HydrophobicContact CG-CD 3.62Å; F209-K250 HydrophobicContact CG-CG 4.32Å; I210-K250 CarbonylContact O-C 3.54Å; I210-K250 WeakPolarHBondContact O-CA 3.4Å; D248-K250 WeakPolarHBondContact OD1-CG 3.32Å; D248-K250 PolarHBondContact OD1-N 2.97Å; D248-K250 WeakPolarHBondContact OD2-CE 3.5Å
251	M	94.4	Very high	90.5	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	126.2	175.4	-65.1	171.6	62.3	0	0	109.8	F209 I210 Y215 F239 R243 E255 W259	F209-M251 WeakPolarHBondContact CA-O 3.43Å; I210-M251 HydrophobicContact CB-CB 4.25Å; I210-M251 PolarHBondContact N-O 2.86Å; I210-M251 PolarHBondContact O-N 2.97Å; Y215-M251 HydrophobicContact CD2-SD 4.18Å; F239-M251 HydrophobicContact CD2-CG 4.34Å; F239-M251 HydrophobicContact CD2-SD 3.9Å; F239-M251 HydrophobicContact CE2-CG 3.53Å; F239-M251 HydrophobicContact CE2-SD 3.47Å; F239-M251 WeakPolarHBondContact CE2-SD 3.4Å; F239-M251 HydrophobicContact CZ-CG 3.83Å; F239-M251 HydrophobicContact CZ-SD 4.37Å; R243-M251 HydrophobicContact CB-CE 4.04Å; R243-M251 HydrophobicContact CB-CG 4.18Å; R243-M251 HydrophobicContact CB-SD 3.65Å; R243-M251 HydrophobicContact CG-SD 4.37Å; M251-E255 WeakPolarHBondContact CA-OE2 3.22Å; M251-E255 HydrophobicContact CB-CB 4.22Å; M251-E255 HydrophobicContact CG-CB 4.49Å; M251-W259 HydrophobicContact CE-CB 3.72Å; M251-W259 HydrophobicContact CE-CD2 4.03Å; M251-W259 HydrophobicContact CE-CE3 3.64Å; M251-W259 HydrophobicContact CE-CG 4.09Å; M251-W259 HydrophobicContact SD-CE3 4.42Å
252	D	94.4	Very high	90	Very high	39 Å²	39	57.6 Å²	57.6	21%	0.209	28%	0.281	C	S	.	.			trans	-82.1	-176.7	166.9	71.5	39.1	0	0	0	111.9	F209 N246 E254 E255 T256	F209-D252 HydrophobicContact CD1-CB 4.06Å; F209-D252 HydrophobicContact CE1-CB 3.97Å; N246-D252 PolarHBondContact ND2-OD2 3.3Å; D252-E254 PolarHBondContact O-N 2.9Å; D252-E254 WeakPolarHBondContact OD1-CA 3.23Å; D252-E254 WeakPolarHBondContact OD1-CB 3.19Å; D252-E254 PolarHBondContact OD1-N 3.14Å; D252-E255 PolarHBondContact N-OE2 3.06Å; D252-E255 PolarHBondContact O-N 3.19Å; D252-E255 PolarHBondContact OD1-N 3.32Å; D252-T256 WeakPolarHBondContact O-CB 3.26Å; D252-T256 PolarHBondContact O-N 3.33Å; D252-T256 PolarHBondContact O-OG1 2.86Å
253	R	92.3	Very high	89.1	Confident	97 Å²	97	56 Å²	56	37%	0.366	29%	0.291	S	S	.	.	H	α-helix	trans	-62.8	-39.8	-178.6	-171.9	-176	-172.6	-82.8	-7.1	113.2	D192 V195 M199 M257	D192-R253 PolarHBondContact O-NH2 3.29Å; D192-R253 IonicContact OD1-CZ 2.81Å; D192-R253 IonicContact OD1-NH1 2.71Å; D192-R253 PolarHBondContact OD1-NH1 2.81Å; D192-R253 IonicContact OD1-NH2 3.5Å; D192-R253 PolarHBondContact OD1-NH2 3.09Å; D192-R253 IonicContact OD2-NH2 2.66Å; V195-R253 HydrophobicContact CG1-CG 3.7Å; M199-R253 HydrophobicContact SD-CB 4.18Å; M199-R253 HydrophobicContact SD-CG 4.21Å; R253-M257 WeakPolarHBondContact O-CB 3.46Å; R253-M257 PolarHBondContact O-N 2.78Å
254	E	91.7	Very high	87.7	Confident	147 Å²	147	60.3 Å²	60.3	69%	0.687	32%	0.318	S	S	*	.	H	α-helix	trans	-71	-43.2	-178.7	-64.9	-177.2	179.2	0	0	109.7	D252 T256 M257 D258	D252-E254 PolarHBondContact O-N 2.9Å; D252-E254 WeakPolarHBondContact OD1-CA 3.23Å; D252-E254 WeakPolarHBondContact OD1-CB 3.19Å; D252-E254 PolarHBondContact OD1-N 3.14Å; E254-T256 VanDerWaalsContact C-N 3.32Å; E254-T256 PolarHBondContact O-N 2.87Å; E254-M257 WeakPolarHBondContact O-CB 3.25Å; E254-M257 PolarHBondContact O-N 2.63Å; E254-D258 PolarHBondContact O-N 3.49Å
255	E	92.4	Very high	86.3	Confident	9 Å²	9	66.2 Å²	66.2	4%	0.042	34%	0.341	C	S	.	.	H	α-helix	trans	-63.6	-38.3	175.3	-69.7	169.4	151	0	0	112.2	R243 K245 N246 M251 D252 D258 W259	R243-E255 WeakPolarHBondContact O-CB 3.33Å; K245-E255 WeakPolarHBondContact CA-OE1 3.05Å; K245-E255 HydrophobicContact CB-CG 4.32Å; K245-E255 WeakPolarHBondContact CB-OE1 3.39Å; K245-E255 HydrophobicContact CG-CG 4.39Å; K245-E255 PolarHBondContact N-OE1 3.41Å; N246-E255 PolarHBondContact N-OE1 3.21Å; N246-E255 PolarHBondContact ND2-OE1 2.82Å; M251-E255 WeakPolarHBondContact CA-OE2 3.22Å; M251-E255 HydrophobicContact CB-CB 4.22Å; M251-E255 HydrophobicContact CG-CB 4.49Å; D252-E255 PolarHBondContact N-OE2 3.06Å; D252-E255 PolarHBondContact O-N 3.19Å; D252-E255 PolarHBondContact OD1-N 3.32Å; E255-D258 PolarHBondContact O-N 3.26Å; E255-W259 WeakPolarHBondContact O-CB 3.35Å; E255-W259 PolarHBondContact O-N 3.48Å
256	T	91.4	Very high	85.7	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-65.4	-43.1	173.7	-56	0	0	0	0	111.2	V195 M199 I210 D252 E254 D258 W259 I260	V195-T256 HydrophobicContact CG1-CG2 4.11Å; M199-T256 HydrophobicContact CG-CG2 3.98Å; I210-T256 HydrophobicContact CD1-CG2 3.99Å; D252-T256 WeakPolarHBondContact O-CB 3.26Å; D252-T256 PolarHBondContact O-N 3.33Å; D252-T256 PolarHBondContact O-OG1 2.86Å; E254-T256 VanDerWaalsContact C-N 3.32Å; E254-T256 PolarHBondContact O-N 2.87Å; T256-D258 PolarHBondContact O-N 3.29Å; T256-W259 HydrophobicContact CG2-CE3 4.33Å; T256-W259 PolarHBondContact O-N 2.86Å; T256-I260 HydrophobicContact CG2-CD1 4.5Å; T256-I260 HydrophobicContact CG2-CG2 4.33Å; T256-I260 WeakPolarHBondContact O-CG1 3.42Å; T256-I260 PolarHBondContact O-N 3.28Å
257	M	89.4	Confident	85	Confident	43 Å²	43	60.2 Å²	60.2	21%	0.212	31%	0.313	C	S	.	.	H	α-helix	trans	-58.8	-47.4	175.8	-173.5	171.4	175.7	0	0	111.7	K191 V195 R253 E254 W259 I260 L261	K191-M257 HydrophobicContact CB-CE 3.89Å; K191-M257 HydrophobicContact CD-CE 3.72Å; K191-M257 HydrophobicContact CG-CE 4.46Å; V195-M257 HydrophobicContact CG2-CB 3.64Å; V195-M257 HydrophobicContact CG2-CG 3.81Å; R253-M257 WeakPolarHBondContact O-CB 3.46Å; R253-M257 PolarHBondContact O-N 2.78Å; E254-M257 WeakPolarHBondContact O-CB 3.25Å; E254-M257 PolarHBondContact O-N 2.63Å; M257-W259 PolarHBondContact O-N 3.27Å; M257-I260 PolarHBondContact O-N 3.4Å; M257-L261 CarbonylContact O-C 3.56Å; M257-L261 WeakPolarHBondContact O-CA 3.43Å; M257-L261 WeakPolarHBondContact O-CB 3.49Å; M257-L261 PolarHBondContact O-N 2.7Å
258	D	88	Confident	84.6	Confident	73 Å²	73	52.9 Å²	52.9	39%	0.39	28%	0.281	S	S	.	.	H	α-helix	trans	-65.8	-28.3	178.5	-72.3	-22.9	0	0	0	112.8	K245 E254 E255 T256 P262	K245-D258 IonicContact NZ-OD2 2.72Å; K245-D258 PolarHBondContact NZ-OD2 2.84Å; E254-D258 PolarHBondContact O-N 3.49Å; E255-D258 PolarHBondContact O-N 3.26Å; T256-D258 PolarHBondContact O-N 3.29Å; D258-P262 WeakPolarHBondContact O-CA 3.41Å
259	W	87	Confident	84.4	Confident	12 Å²	12	52.1 Å²	52.1	5%	0.045	28%	0.275	C	S	.	.	H	α-helix	trans	-73.5	-50	174.7	169.5	37.8	0	0	0	112.2	R29 I202 I210 Y215 M219 R243 M251 E255 T256 M257	R29-W259 HydrophobicContact CB-CH2 3.98Å; R29-W259 HydrophobicContact CB-CZ2 3.89Å; R29-W259 HydrophobicContact CG-CH2 4.13Å; R29-W259 HydrophobicContact CG-CZ2 4.34Å; I202-W259 HydrophobicContact CD1-CH2 3.79Å; I202-W259 HydrophobicContact CD1-CZ3 3.74Å; I210-W259 HydrophobicContact CD1-CZ3 4.48Å; Y215-W259 AromaticContact CD2-CH2 3.98Å; Y215-W259 HydrophobicContact CD2-CH2 3.98Å; Y215-W259 HydrophobicContact CD2-CZ2 4.19Å; Y215-W259 HydrophobicContact CD2-CZ3 4.25Å; Y215-W259 HydrophobicContact CE2-CD2 4.26Å; Y215-W259 AromaticContact CE2-CE2 3.79Å; Y215-W259 AromaticContact CE2-CH2 3.86Å; Y215-W259 HydrophobicContact CE2-CH2 3.86Å; Y215-W259 AromaticContact CE2-CZ2 3.59Å; Y215-W259 HydrophobicContact CE2-CZ2 3.59Å; Y215-W259 HydrophobicContact CE2-CZ3 4.31Å; M219-W259 HydrophobicContact CE-CZ2 4.35Å; R243-W259 VanDerWaalsContact NE-CD1 3.31Å; M251-W259 HydrophobicContact CE-CB 3.72Å; M251-W259 HydrophobicContact CE-CD2 4.03Å; M251-W259 HydrophobicContact CE-CE3 3.64Å; M251-W259 HydrophobicContact CE-CG 4.09Å; M251-W259 HydrophobicContact SD-CE3 4.42Å; E255-W259 WeakPolarHBondContact O-CB 3.35Å; E255-W259 PolarHBondContact O-N 3.48Å; T256-W259 HydrophobicContact CG2-CE3 4.33Å; T256-W259 PolarHBondContact O-N 2.86Å; M257-W259 PolarHBondContact O-N 3.27Å
260	I	85.9	Confident	84.1	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-87.7	-22	-171.3	72.9	175.3	0	0	0	113.1	R29 H31 V194 V195 T198 T256 M257 P262	R29-I260 HydrophobicContact CB-CG2 4.44Å; H31-I260 WeakPolarHBondContact CA-O 3.43Å; H31-I260 VanDerWaalsContact CB-O 3.29Å; H31-I260 WeakPolarHBondContact CB-O 3.32Å; H31-I260 PolarHBondContact N-O 3.26Å; V194-I260 HydrophobicContact CG1-CD1 4Å; V195-I260 HydrophobicContact CB-CD1 4.3Å; V195-I260 HydrophobicContact CG2-CD1 3.85Å; V195-I260 HydrophobicContact CG2-CG1 4.33Å; T198-I260 HydrophobicContact CG2-CD1 4.31Å; T198-I260 HydrophobicContact CG2-CG2 4.07Å; T256-I260 HydrophobicContact CG2-CD1 4.5Å; T256-I260 HydrophobicContact CG2-CG2 4.33Å; T256-I260 WeakPolarHBondContact O-CG1 3.42Å; T256-I260 PolarHBondContact O-N 3.28Å; M257-I260 PolarHBondContact O-N 3.4Å; I260-P262 VanDerWaalsContact C-CD 3.46Å
261	L	82.1	Confident	83.6	Confident	23 Å²	23	49.2 Å²	49.2	12%	0.12	26%	0.257	C	S	.	.	S	Bend	trans	-130.2	64.6	177.3	-70.3	162.2	0	0	0	108.9	H31 E185 K191 V194 M257 A263	H31-L261 HydrophobicContact CB-CD2 3.88Å; E185-L261 HydrophobicContact CB-CD2 4.15Å; K191-L261 HydrophobicContact CB-CD1 3.77Å; K191-L261 HydrophobicContact CD-CD1 4.14Å; K191-L261 HydrophobicContact CG-CD1 3.78Å; V194-L261 HydrophobicContact CB-CD1 4.39Å; V194-L261 HydrophobicContact CG1-CD1 4.44Å; M257-L261 CarbonylContact O-C 3.56Å; M257-L261 WeakPolarHBondContact O-CA 3.43Å; M257-L261 WeakPolarHBondContact O-CB 3.49Å; M257-L261 PolarHBondContact O-N 2.7Å; L261-A263 PolarHBondContact O-N 3.29Å
262	P	77.1	Confident	83.3	Confident	46 Å²	46	49.2 Å²	49.2	30%	0.299	26%	0.257	S	S	.	.			trans	-61.4	131.9	-177.6	26.4	-33.7	0	0	0	110.1	V30 D258 I260 D264	V30-P262 HydrophobicContact CG1-CG 3.72Å; D258-P262 WeakPolarHBondContact O-CA 3.41Å; I260-P262 VanDerWaalsContact C-CD 3.46Å; P262-D264 PolarHBondContact O-N 2.78Å
263	A	67.4	Low	83.1	Confident	93 Å²	93	51.8 Å²	51.8	77%	0.769	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-0.6	-177.7	0	0	0	0	0	114	L261	L261-A263 PolarHBondContact O-N 3.29Å
264	D	59	Low	82.9	Confident	143 Å²	143	48.6 Å²	48.6	77%	0.765	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-2.8	-147.9	-60.2	-17.8	0	0	0	114.4	P262	P262-D264 PolarHBondContact O-N 2.78Å
265	Y	63.6	Low	82.7	Confident	132 Å²	132	41.6 Å²	41.6	52%	0.518	22%	0.222	S	C	.	.			trans	-140.3	97.1	179.4	-156.6	-108.6	0	0	0	113.9	H267 A270	Y265-H267 AromaticContact CD1-CE1 3.44Å; Y265-H267 VanDerWaalsContact CD1-CE1 3.44Å; Y265-H267 WeakPolarHBondContact CD1-CE1 3.45Å; Y265-H267 AromaticContact CD1-CG 3.9Å; Y265-H267 AromaticContact CD1-ND1 3.52Å; Y265-H267 AromaticContact CD1-NE2 3.83Å; Y265-H267 AromaticContact CE1-CE1 3.38Å; Y265-H267 WeakPolarHBondContact CE1-CE1 3.44Å; Y265-H267 AromaticContact CE1-CG 3.95Å; Y265-H267 AromaticContact CE1-ND1 3.2Å; Y265-H267 WeakPolarHBondContact CE1-ND1 3.36Å; Y265-H267 PolarHBondContact O-N 3.21Å; Y265-A270 HydrophobicContact CE2-CB 4.35Å; Y265-A270 WeakPolarHBondContact OH-CB 3.43Å
266	D	78.4	Confident	82.7	Confident	38 Å²	38	41.8 Å²	41.8	20%	0.203	22%	0.224	C	C	.	.			trans	-84.3	95.6	171.3	-169.6	-39.2	0	0	0	108.7	K96 K100 A268 E269 A270	K96-D266 VanDerWaalsContact CE-CG 3.41Å; K96-D266 WeakPolarHBondContact CE-OD1 3.46Å; K96-D266 WeakPolarHBondContact CE-OD2 3.47Å; K96-D266 IonicContact NZ-OD1 3.86Å; K96-D266 IonicContact NZ-OD2 3.92Å; K96-D266 PolarHBondContact NZ-OD2 3.09Å; K100-D266 WeakPolarHBondContact CE-OD1 3.36Å; K100-D266 VanDerWaalsContact CE-OD2 3.3Å; K100-D266 WeakPolarHBondContact CE-OD2 3.41Å; K100-D266 VanDerWaalsContact NZ-CG 3.32Å; K100-D266 IonicContact NZ-OD1 3.92Å; K100-D266 PolarHBondContact NZ-OD1 3.24Å; K100-D266 IonicContact NZ-OD2 3.41Å; K100-D266 PolarHBondContact NZ-OD2 2.73Å; D266-A268 PolarHBondContact O-N 3.07Å; D266-A268 WeakPolarHBondContact OD1-CB 3.47Å; D266-A268 PolarHBondContact OD1-N 2.96Å; D266-E269 HydrophobicContact CB-CB 3.83Å; D266-E269 WeakPolarHBondContact O-CB 3.28Å; D266-E269 PolarHBondContact O-N 2.8Å; D266-E269 PolarHBondContact OD1-N 3.07Å; D266-E269 VanDerWaalsContact OD1-N 3.07Å; D266-A270 PolarHBondContact O-N 3.17Å; D266-A270 VanDerWaalsContact O-N 3.11Å
267	H	78.9	Confident	82.5	Confident	39 Å²	39	50 Å²	50	18%	0.181	26%	0.257	C	S	.	.	H	α-helix	trans	-52.8	-38.4	-179.5	-78.9	-70.5	0	0	0	111.7	D33 L36 Y265 E269 A270 E271	D33-H267 PolarHBondContact O-CD2 3.1Å; L36-H267 HydrophobicContact CD1-CB 3.96Å; L36-H267 HydrophobicContact CD2-CB 4.46Å; L36-H267 HydrophobicContact CG-CB 3.99Å; Y265-H267 AromaticContact CD1-CE1 3.44Å; Y265-H267 VanDerWaalsContact CD1-CE1 3.44Å; Y265-H267 WeakPolarHBondContact CD1-CE1 3.45Å; Y265-H267 AromaticContact CD1-CG 3.9Å; Y265-H267 AromaticContact CD1-ND1 3.52Å; Y265-H267 AromaticContact CD1-NE2 3.83Å; Y265-H267 AromaticContact CE1-CE1 3.38Å; Y265-H267 WeakPolarHBondContact CE1-CE1 3.44Å; Y265-H267 AromaticContact CE1-CG 3.95Å; Y265-H267 AromaticContact CE1-ND1 3.2Å; Y265-H267 WeakPolarHBondContact CE1-ND1 3.36Å; Y265-H267 PolarHBondContact O-N 3.21Å; H267-E269 VanDerWaalsContact C-N 3.33Å; H267-E269 PolarHBondContact O-N 3.15Å; H267-A270 PolarHBondContact O-N 3.19Å; H267-E271 WeakPolarHBondContact O-CB 3.13Å; H267-E271 PolarHBondContact O-N 3.4Å
268	A	84.7	Confident	82.4	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.008	26%	0.263	C	S	.	.	H	α-helix	trans	-68.9	-31.1	179.7	0	0	0	0	0	112.7	K96 I99 K100 D266 A272	K96-A268 HydrophobicContact CG-CB 4.21Å; I99-A268 HydrophobicContact CB-CB 4.11Å; I99-A268 HydrophobicContact CG2-CB 3.67Å; K100-A268 HydrophobicContact CD-CB 4.36Å; K100-A268 HydrophobicContact CG-CB 3.5Å; D266-A268 PolarHBondContact O-N 3.07Å; D266-A268 WeakPolarHBondContact OD1-CB 3.47Å; D266-A268 PolarHBondContact OD1-N 2.96Å; A268-A272 WeakPolarHBondContact O-CB 3.4Å; A268-A272 PolarHBondContact O-N 2.88Å
269	E	87.4	Confident	82.5	Confident	62 Å²	62	48 Å²	48	29%	0.29	24%	0.244	S	C	.	.	H	α-helix	trans	-71.2	-44.6	173.5	-171.5	171.1	151.6	0	0	112.3	K96 D266 H267 E271 A272 K273	K96-E269 HydrophobicContact CD-CB 3.86Å; K96-E269 HydrophobicContact CD-CG 4.19Å; K96-E269 IonicContact NZ-OE2 2.81Å; K96-E269 PolarHBondContact NZ-OE2 3.35Å; D266-E269 HydrophobicContact CB-CB 3.83Å; D266-E269 WeakPolarHBondContact O-CB 3.28Å; D266-E269 PolarHBondContact O-N 2.8Å; D266-E269 PolarHBondContact OD1-N 3.07Å; D266-E269 VanDerWaalsContact OD1-N 3.07Å; H267-E269 VanDerWaalsContact C-N 3.33Å; H267-E269 PolarHBondContact O-N 3.15Å; E269-E271 VanDerWaalsContact C-N 3.31Å; E269-E271 PolarHBondContact O-N 2.94Å; E269-A272 PolarHBondContact O-N 3.45Å; E269-K273 HydrophobicContact CG-CD 4.38Å; E269-K273 WeakPolarHBondContact O-CG 3.31Å; E269-K273 PolarHBondContact O-N 3.21Å; E269-K273 WeakPolarHBondContact OE1-CE 3.45Å; E269-K273 IonicContact OE1-NZ 2.66Å; E269-K273 PolarHBondContact OE1-NZ 3.06Å
270	A	85.1	Confident	82.7	Confident	33 Å²	33	48.2 Å²	48.2	27%	0.273	25%	0.247	S	C	.	.	H	α-helix	trans	-59.7	-46	177.1	0	0	0	0	0	110.8	Y265 D266 H267 K273 H274	Y265-A270 HydrophobicContact CE2-CB 4.35Å; Y265-A270 WeakPolarHBondContact OH-CB 3.43Å; D266-A270 PolarHBondContact O-N 3.17Å; D266-A270 VanDerWaalsContact O-N 3.11Å; H267-A270 PolarHBondContact O-N 3.19Å; A270-K273 PolarHBondContact O-N 2.53Å; A270-H274 PolarHBondContact O-N 2.83Å
271	E	84.6	Confident	83	Confident	4 Å²	4	53.4 Å²	53.4	2%	0.019	28%	0.278	C	S	.	.	H	α-helix	trans	-68.2	-42.4	179.8	-167.9	52.1	-126.8	0	0	112.3	L36 H41 D50 A53 I99 H267 E269 K273 H274 L275	L36-E271 HydrophobicContact CD1-CB 3.94Å; L36-E271 HydrophobicContact CD1-CG 4.31Å; H41-E271 IonicContact NE2-OE2 3.43Å; H41-E271 PolarHBondContact NE2-OE2 3.34Å; D50-E271 VanDerWaalsContact CG-OE1 3.3Å; A53-E271 HydrophobicContact CB-CG 3.98Å; I99-E271 HydrophobicContact CD1-CB 4.07Å; I99-E271 HydrophobicContact CD1-CG 4.04Å; H267-E271 WeakPolarHBondContact O-CB 3.13Å; H267-E271 PolarHBondContact O-N 3.4Å; E269-E271 VanDerWaalsContact C-N 3.31Å; E269-E271 PolarHBondContact O-N 2.94Å; E271-K273 VanDerWaalsContact C-N 3.29Å; E271-K273 PolarHBondContact O-N 3.48Å; E271-H274 WeakPolarHBondContact O-CB 3.41Å; E271-H274 PolarHBondContact O-N 2.89Å; E271-H274 VanDerWaalsContact O-N 3.14Å; E271-H274 IonicContact OE1-ND1 3.47Å; E271-H274 PolarHBondContact OE1-ND1 3.39Å; E271-L275 HydrophobicContact CG-CD1 4.35Å; E271-L275 WeakPolarHBondContact O-CG 3.44Å; E271-L275 PolarHBondContact O-N 3.41Å
272	A	89.7	Confident	83.4	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-58.9	-41.5	175	0	0	0	0	0	112.1	E92 L95 K96 I99 A268 E269 V276	E92-A272 HydrophobicContact CG-CB 4.12Å; L95-A272 HydrophobicContact CB-CB 4.16Å; L95-A272 HydrophobicContact CD2-CB 4.37Å; L95-A272 HydrophobicContact CG-CB 4.18Å; K96-A272 HydrophobicContact CB-CB 3.87Å; I99-A272 HydrophobicContact CD1-CB 4.18Å; A268-A272 WeakPolarHBondContact O-CB 3.4Å; A268-A272 PolarHBondContact O-N 2.88Å; E269-A272 PolarHBondContact O-N 3.45Å; A272-V276 VanDerWaalsContact O-CG2 3.28Å; A272-V276 WeakPolarHBondContact O-CG2 3.37Å; A272-V276 PolarHBondContact O-N 3.37Å
273	K	89.4	Confident	84.1	Confident	93 Å²	93	62.4 Å²	62.4	40%	0.404	32%	0.316	S	S	.	.	H	α-helix	trans	-63.4	-42.7	175.1	-75.7	174.6	-172.7	167.2	0	111.9	E92 E269 A270 E271 V276 Y277	E92-K273 HydrophobicContact CG-CG 3.97Å; E92-K273 WeakPolarHBondContact OE1-CE 3.33Å; E92-K273 VanDerWaalsContact OE1-CG 3.31Å; E92-K273 WeakPolarHBondContact OE1-CG 3.08Å; E92-K273 IonicContact OE1-NZ 4Å; E269-K273 HydrophobicContact CG-CD 4.38Å; E269-K273 WeakPolarHBondContact O-CG 3.31Å; E269-K273 PolarHBondContact O-N 3.21Å; E269-K273 WeakPolarHBondContact OE1-CE 3.45Å; E269-K273 IonicContact OE1-NZ 2.66Å; E269-K273 PolarHBondContact OE1-NZ 3.06Å; A270-K273 PolarHBondContact O-N 2.53Å; E271-K273 VanDerWaalsContact C-N 3.29Å; E271-K273 PolarHBondContact O-N 3.48Å; K273-V276 PolarHBondContact O-N 3.17Å; K273-Y277 VanDerWaalsContact O-CB 3.25Å; K273-Y277 WeakPolarHBondContact O-CB 3.38Å; K273-Y277 PolarHBondContact O-N 3.15Å
274	H	87.2	Confident	85.2	Confident	29 Å²	29	61.5 Å²	61.5	13%	0.134	30%	0.298	C	S	.	.	H	α-helix	trans	-60.5	-51.8	177.7	177.3	-118.6	0	0	0	111.3	D50 A270 E271 V276 Y277 E278	D50-H274 IonicContact OD1-ND1 3.58Å; D50-H274 IonicContact OD2-CE1 3.92Å; D50-H274 PolarHBondContact OD2-CE1 2.93Å; D50-H274 IonicContact OD2-ND1 3.34Å; A270-H274 PolarHBondContact O-N 2.83Å; E271-H274 WeakPolarHBondContact O-CB 3.41Å; E271-H274 PolarHBondContact O-N 2.89Å; E271-H274 VanDerWaalsContact O-N 3.14Å; E271-H274 IonicContact OE1-ND1 3.47Å; E271-H274 PolarHBondContact OE1-ND1 3.39Å; H274-V276 VanDerWaalsContact C-N 3.34Å; H274-V276 PolarHBondContact O-N 3.36Å; H274-Y277 PolarHBondContact O-N 3.22Å; H274-Y277 VanDerWaalsContact O-N 3.12Å; H274-E278 PolarHBondContact O-N 3.28Å
275	L	88.8	Confident	86.7	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-58.8	-41.3	178	-70.7	175.1	0	0	0	113.1	D50 F54 L95 I99 E271 S279 L298 F299	D50-L275 HydrophobicContact CB-CD2 4.24Å; F54-L275 HydrophobicContact CD2-CD1 4.21Å; L95-L275 HydrophobicContact CD1-CD1 4.28Å; L95-L275 HydrophobicContact CD2-CB 3.58Å; L95-L275 HydrophobicContact CD2-CD1 3.83Å; L95-L275 HydrophobicContact CD2-CG 4.37Å; L95-L275 HydrophobicContact CG-CD1 4.2Å; I99-L275 HydrophobicContact CD1-CD1 4.07Å; E271-L275 HydrophobicContact CG-CD1 4.35Å; E271-L275 WeakPolarHBondContact O-CG 3.44Å; E271-L275 PolarHBondContact O-N 3.41Å; L275-S279 WeakPolarHBondContact O-CB 3.2Å; L275-S279 PolarHBondContact O-N 2.88Å; L275-S279 PolarHBondContact O-OG 2.94Å; L275-L298 HydrophobicContact CD2-CD1 4.29Å; L275-L298 HydrophobicContact CD2-CD2 3.92Å; L275-L298 HydrophobicContact CD2-CG 3.75Å; L275-F299 HydrophobicContact CB-CE1 4.16Å; L275-F299 HydrophobicContact CB-CZ 4.3Å; L275-F299 HydrophobicContact CD1-CD1 4.45Å; L275-F299 HydrophobicContact CD1-CE1 4.12Å; L275-F299 HydrophobicContact CD2-CD1 4.21Å; L275-F299 HydrophobicContact CD2-CE1 4Å; L275-F299 HydrophobicContact CD2-CZ 4.31Å; L275-F299 HydrophobicContact CG-CE1 4.33Å
276	V	91.2	Very high	88.1	Confident	14 Å²	14	53.2 Å²	53.2	9%	0.085	27%	0.271	C	S	.	.	H	α-helix	trans	-65	-47.5	174.4	172.1	0	0	0	0	110.6	E92 L95 A272 K273 H274 E278 S279 D280 L287	E92-V276 HydrophobicContact CB-CG2 4.33Å; L95-V276 HydrophobicContact CD2-CG2 4.12Å; A272-V276 VanDerWaalsContact O-CG2 3.28Å; A272-V276 WeakPolarHBondContact O-CG2 3.37Å; A272-V276 PolarHBondContact O-N 3.37Å; K273-V276 PolarHBondContact O-N 3.17Å; H274-V276 VanDerWaalsContact C-N 3.34Å; H274-V276 PolarHBondContact O-N 3.36Å; V276-E278 VanDerWaalsContact C-N 3.33Å; V276-E278 PolarHBondContact O-N 2.87Å; V276-S279 PolarHBondContact O-N 3.08Å; V276-D280 HydrophobicContact CG1-CB 4.32Å; V276-D280 WeakPolarHBondContact O-CB 3.4Å; V276-D280 PolarHBondContact O-N 2.82Å; V276-L287 HydrophobicContact CG2-CD1 4.14Å; V276-L287 HydrophobicContact CG2-CG 4.25Å
277	Y	88.7	Confident	88.8	Confident	173 Å²	173	51.4 Å²	51.4	68%	0.678	26%	0.261	S	S	*	.	H	α-helix	trans	-59.8	-41.3	-178.3	177.1	-96.6	0	0	0	112.9	K273 H274	K273-Y277 VanDerWaalsContact O-CB 3.25Å; K273-Y277 WeakPolarHBondContact O-CB 3.38Å; K273-Y277 PolarHBondContact O-N 3.15Å; H274-Y277 PolarHBondContact O-N 3.22Å; H274-Y277 VanDerWaalsContact O-N 3.12Å
278	E	87.3	Confident	89.5	Confident	72 Å²	72	51.4 Å²	51.4	34%	0.336	26%	0.264	S	S	.	.	H	α-helix	trans	-78.6	-18.8	-178.7	-76.1	-58.6	136.4	0	0	114.2	H274 V276 K295 L298	H274-E278 PolarHBondContact O-N 3.28Å; V276-E278 VanDerWaalsContact C-N 3.33Å; V276-E278 PolarHBondContact O-N 2.87Å; E278-K295 PolarHBondContact O-NZ 3.45Å; E278-L298 HydrophobicContact CB-CD2 3.59Å
279	S	89	Confident	89.9	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-108.8	-28.4	-173.5	-55	0	0	0	0	114.3	L275 V276 T281 L298 F299	L275-S279 WeakPolarHBondContact O-CB 3.2Å; L275-S279 PolarHBondContact O-N 2.88Å; L275-S279 PolarHBondContact O-OG 2.94Å; V276-S279 PolarHBondContact O-N 3.08Å; S279-T281 PolarHBondContact O-N 3.18Å; S279-T281 PolarHBondContact O-OG1 2.81Å; S279-L298 WeakPolarHBondContact OG-CD2 3.44Å; S279-F299 WeakPolarHBondContact OG-CE2 3.18Å; S279-F299 WeakPolarHBondContact OG-CZ 3.35Å
280	D	91.3	Very high	90.2	Very high	18 Å²	18	58.9 Å²	58.9	10%	0.096	30%	0.298	C	S	.	.			trans	-72.2	91.8	-178.3	-177.5	4	0	0	0	110.9	V276 N282 K283 D284 G285 L287	V276-D280 HydrophobicContact CG1-CB 4.32Å; V276-D280 WeakPolarHBondContact O-CB 3.4Å; V276-D280 PolarHBondContact O-N 2.82Å; D280-N282 VanDerWaalsContact C-N 3.32Å; D280-N282 PolarHBondContact OD1-N 3.11Å; D280-K283 VanDerWaalsContact CG-CA 3.49Å; D280-K283 WeakPolarHBondContact OD1-CA 3.33Å; D280-K283 PolarHBondContact OD1-N 3.08Å; D280-K283 VanDerWaalsContact OD2-C 3.29Å; D280-K283 WeakPolarHBondContact OD2-CA 3.36Å; D280-D284 PolarHBondContact OD1-N 2.96Å; D280-D284 PolarHBondContact OD2-N 3.39Å; D280-D284 VanDerWaalsContact OD2-N 3.14Å; D280-G285 WeakPolarHBondContact OD2-CA 3.28Å; D280-G285 PolarHBondContact OD2-N 2.79Å; D280-L287 HydrophobicContact CB-CD2 3.74Å
281	T	91.7	Very high	90.5	Very high	108 Å²	108	58.1 Å²	58.1	66%	0.663	29%	0.288	S	S	*	.	S	Bend	trans	-72.8	-31.8	-176.2	-60.6	0	0	0	0	111.3	S279 E291	S279-T281 PolarHBondContact O-N 3.18Å; S279-T281 PolarHBondContact O-OG1 2.81Å; T281-E291 PolarHBondContact N-OE1 2.94Å
282	N	91.4	Very high	90.8	Very high	84 Å²	84	58 Å²	58	45%	0.449	29%	0.288	S	S	.	.	S	Bend	trans	-96	-11.4	-172.5	81.7	64.9	0	0	0	113.1	D280 D284 E291	D280-N282 VanDerWaalsContact C-N 3.32Å; D280-N282 PolarHBondContact OD1-N 3.11Å; N282-D284 WeakPolarHBondContact OD1-CB 3.43Å; N282-D284 PolarHBondContact OD1-N 3.23Å; N282-D284 PolarHBondContact OD1-OD1 2.81Å; N282-D284 PolarHBondContact OD1-OD2 3.17Å; N282-E291 PolarHBondContact ND2-OE1 3.28Å
283	K	91.6	Very high	90.8	Very high	175 Å²	175	59.8 Å²	59.8	76%	0.761	30%	0.297	S	S	*	.			trans	64.8	33.9	176.6	-55.3	-168.2	178.1	-162.7	0	113.9	D280 G285	D280-K283 VanDerWaalsContact CG-CA 3.49Å; D280-K283 WeakPolarHBondContact OD1-CA 3.33Å; D280-K283 PolarHBondContact OD1-N 3.08Å; D280-K283 VanDerWaalsContact OD2-C 3.29Å; D280-K283 WeakPolarHBondContact OD2-CA 3.36Å; K283-G285 VanDerWaalsContact C-N 3.35Å
284	D	91	Very high	90.8	Very high	74 Å²	74	61 Å²	61	40%	0.396	31%	0.308	S	S	.	.	S	Bend	trans	-89.6	-0.8	174.5	72.4	-7.1	0	0	0	113.6	D280 N282 K286	D280-D284 PolarHBondContact OD1-N 2.96Å; D280-D284 PolarHBondContact OD2-N 3.39Å; D280-D284 VanDerWaalsContact OD2-N 3.14Å; N282-D284 WeakPolarHBondContact OD1-CB 3.43Å; N282-D284 PolarHBondContact OD1-N 3.23Å; N282-D284 PolarHBondContact OD1-OD1 2.81Å; N282-D284 PolarHBondContact OD1-OD2 3.17Å; D284-K286 VanDerWaalsContact CG-CG 3.48Å; D284-K286 WeakPolarHBondContact OD1-CG 3.33Å; D284-K286 PolarHBondContact OD1-N 2.68Å; D284-K286 WeakPolarHBondContact OD2-CE 3.35Å; D284-K286 WeakPolarHBondContact OD2-CG 3.35Å
285	G	88.9	Confident	90.7	Very high	46 Å²	46	63.6 Å²	63.6	47%	0.474	32%	0.319	S	S	.	.	S	Bend	trans	82.8	12.8	175.6	0	0	0	0	0	114	D280 K283	D280-G285 WeakPolarHBondContact OD2-CA 3.28Å; D280-G285 PolarHBondContact OD2-N 2.79Å; K283-G285 VanDerWaalsContact C-N 3.35Å
286	K	92.9	Very high	90.5	Very high	55 Å²	55	65.1 Å²	65.1	24%	0.239	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	154.3	179.1	55.9	-178.8	-174.2	159.9	0	110.3	F89 D284	F89-K286 HydrophobicContact CB-CB 4.25Å; F89-K286 HydrophobicContact CB-CD 3.87Å; F89-K286 HydrophobicContact CB-CG 4.36Å; F89-K286 HydrophobicContact CD1-CD 3.55Å; F89-K286 VanDerWaalsContact CD1-CE 3.48Å; F89-K286 HydrophobicContact CD1-CG 3.9Å; F89-K286 HydrophobicContact CD2-CD 4.29Å; F89-K286 HydrophobicContact CE1-CD 4.14Å; F89-K286 VanDerWaalsContact CE1-NZ 3.33Å; F89-K286 HydrophobicContact CG-CD 3.64Å; F89-K286 HydrophobicContact CG-CG 4.33Å; D284-K286 VanDerWaalsContact CG-CG 3.48Å; D284-K286 WeakPolarHBondContact OD1-CG 3.33Å; D284-K286 PolarHBondContact OD1-N 2.68Å; D284-K286 WeakPolarHBondContact OD2-CE 3.35Å; D284-K286 WeakPolarHBondContact OD2-CG 3.35Å
287	L	93.9	Very high	90.1	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	126.5	-175.5	-59.9	-178.7	0	0	0	111	F89 V90 V276 D280 I292 F299	F89-L287 CarbonylContact C-O 3.59Å; F89-L287 WeakPolarHBondContact CA-O 3.45Å; V90-L287 HydrophobicContact CB-CB 4.32Å; V90-L287 PolarHBondContact N-O 2.76Å; V90-L287 PolarHBondContact O-N 2.84Å; V276-L287 HydrophobicContact CG2-CD1 4.14Å; V276-L287 HydrophobicContact CG2-CG 4.25Å; D280-L287 HydrophobicContact CB-CD2 3.74Å; L287-I292 HydrophobicContact CB-CD1 3.9Å; L287-I292 HydrophobicContact CB-CG1 3.84Å; L287-I292 HydrophobicContact CD1-CD1 4.2Å; L287-I292 HydrophobicContact CD1-CG1 3.87Å; L287-I292 HydrophobicContact CG-CG1 4.48Å; L287-F299 HydrophobicContact CD1-CZ 4.09Å
288	T	94.5	Very high	89.8	Confident	38 Å²	38	59.5 Å²	59.5	23%	0.233	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	156.7	164.7	61.7	0	0	0	0	110.6	F89 E290 E291 I292	F89-T288 HydrophobicContact CD1-CG2 3.83Å; F89-T288 HydrophobicContact CE1-CG2 3.67Å; T288-E290 PolarHBondContact O-N 2.98Å; T288-E291 WeakPolarHBondContact CB-OE2 3.36Å; T288-E291 WeakPolarHBondContact CG2-OE2 3.26Å; T288-E291 PolarHBondContact N-OE2 3.1Å; T288-E291 PolarHBondContact O-N 2.8Å; T288-E291 VanDerWaalsContact O-N 3.09Å; T288-E291 VanDerWaalsContact OG1-CD 3.32Å; T288-E291 WeakPolarHBondContact OG1-CG 3.4Å; T288-E291 PolarHBondContact OG1-N 3.42Å; T288-E291 PolarHBondContact OG1-OE2 3.23Å; T288-I292 PolarHBondContact O-N 3.35Å; T288-I292 VanDerWaalsContact O-N 3.15Å
289	K	92.8	Very high	89.6	Confident	73 Å²	73	56 Å²	56	32%	0.317	29%	0.29	S	S	.	.	H	α-helix	trans	-54	-36.1	172	-175.4	173.4	-176.5	174.7	0	112.5	G76 V79 E80 L293	G76-K289 WeakPolarHBondContact O-CE 3.36Å; G76-K289 PolarHBondContact O-NZ 2.95Å; V79-K289 HydrophobicContact CG1-CB 4.11Å; V79-K289 HydrophobicContact CG1-CG 4.13Å; E80-K289 IonicContact OE1-NZ 2.64Å; E80-K289 PolarHBondContact OE1-NZ 3.39Å; K289-L293 HydrophobicContact CG-CD1 3.88Å; K289-L293 HydrophobicContact CG-CG 4.29Å; K289-L293 WeakPolarHBondContact O-CB 3.45Å; K289-L293 WeakPolarHBondContact O-CG 3.42Å; K289-L293 PolarHBondContact O-N 3Å
290	E	92.8	Very high	89.1	Confident	148 Å²	148	56.1 Å²	56.1	69%	0.692	29%	0.29	S	S	*	.	H	α-helix	trans	-67.4	-41.8	177.7	-67.4	-174.3	178.9	0	0	112.1	T288 L293 N294	T288-E290 PolarHBondContact O-N 2.98Å; E290-L293 PolarHBondContact O-N 3.03Å; E290-N294 VanDerWaalsContact O-CB 3.28Å; E290-N294 WeakPolarHBondContact O-CB 3.4Å; E290-N294 PolarHBondContact O-N 3.16Å; E290-N294 PolarHBondContact O-ND2 3.28Å
291	E	92.4	Very high	87.6	Confident	16 Å²	16	55.8 Å²	55.8	8%	0.075	29%	0.291	C	S	.	.	H	α-helix	trans	-60.4	-45.9	176.2	-78.1	159.8	147.9	0	0	111.8	T281 N282 T288 N294 K295	T281-E291 PolarHBondContact N-OE1 2.94Å; N282-E291 PolarHBondContact ND2-OE1 3.28Å; T288-E291 WeakPolarHBondContact CB-OE2 3.36Å; T288-E291 WeakPolarHBondContact CG2-OE2 3.26Å; T288-E291 PolarHBondContact N-OE2 3.1Å; T288-E291 PolarHBondContact O-N 2.8Å; T288-E291 VanDerWaalsContact O-N 3.09Å; T288-E291 VanDerWaalsContact OG1-CD 3.32Å; T288-E291 WeakPolarHBondContact OG1-CG 3.4Å; T288-E291 PolarHBondContact OG1-N 3.42Å; T288-E291 PolarHBondContact OG1-OE2 3.23Å; E291-N294 PolarHBondContact O-N 2.87Å; E291-K295 PolarHBondContact O-N 3.02Å; E291-K295 VanDerWaalsContact O-N 3.17Å
292	I	90.1	Very high	85.8	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-63.1	-46	176.9	-62.9	171.3	0	0	0	111.2	L75 V79 V90 L287 T288 N294 K295 Y296 F299	L75-I292 HydrophobicContact CD1-CG2 4.06Å; L75-I292 HydrophobicContact CD2-CG2 3.97Å; L75-I292 HydrophobicContact CG-CG2 4.09Å; V79-I292 HydrophobicContact CG1-CD1 4.02Å; V79-I292 HydrophobicContact CG2-CB 4.14Å; V79-I292 HydrophobicContact CG2-CD1 3.77Å; V79-I292 HydrophobicContact CG2-CG2 3.63Å; V90-I292 HydrophobicContact CB-CD1 4.1Å; V90-I292 HydrophobicContact CG1-CD1 4.49Å; V90-I292 HydrophobicContact CG2-CD1 4.02Å; L287-I292 HydrophobicContact CB-CD1 3.9Å; L287-I292 HydrophobicContact CB-CG1 3.84Å; L287-I292 HydrophobicContact CD1-CD1 4.2Å; L287-I292 HydrophobicContact CD1-CG1 3.87Å; L287-I292 HydrophobicContact CG-CG1 4.48Å; T288-I292 PolarHBondContact O-N 3.35Å; T288-I292 VanDerWaalsContact O-N 3.15Å; I292-N294 VanDerWaalsContact C-N 3.33Å; I292-N294 PolarHBondContact O-N 2.77Å; I292-K295 CarbonylContact O-C 3.52Å; I292-K295 VanDerWaalsContact O-C 3.25Å; I292-K295 PolarHBondContact O-N 3.19Å; I292-Y296 PolarHBondContact O-N 2.94Å; I292-Y296 VanDerWaalsContact O-N 3.13Å; I292-F299 HydrophobicContact CB-CE2 4.35Å; I292-F299 HydrophobicContact CB-CZ 4.49Å; I292-F299 HydrophobicContact CG1-CE2 4.4Å; I292-F299 HydrophobicContact CG1-CZ 4.11Å; I292-F299 HydrophobicContact CG2-CD1 4.28Å; I292-F299 HydrophobicContact CG2-CD2 3.91Å; I292-F299 HydrophobicContact CG2-CE1 4.27Å; I292-F299 HydrophobicContact CG2-CE2 3.9Å; I292-F299 HydrophobicContact CG2-CG 4.11Å; I292-F299 HydrophobicContact CG2-CZ 4.09Å
293	L	89.7	Confident	83.8	Confident	39 Å²	39	50.5 Å²	50.5	20%	0.204	26%	0.257	C	S	.	.	H	α-helix	trans	-69.5	-29.5	-179.4	-70.2	178.2	0	0	0	113.5	K72 L75 K289 E290 K295 Y296	K72-L293 HydrophobicContact CB-CD2 4.28Å; K72-L293 WeakPolarHBondContact O-CD2 3.41Å; L75-L293 HydrophobicContact CB-CD2 4.12Å; L75-L293 HydrophobicContact CD2-CD2 4.11Å; L75-L293 HydrophobicContact CG-CD2 4.01Å; K289-L293 HydrophobicContact CG-CD1 3.88Å; K289-L293 HydrophobicContact CG-CG 4.29Å; K289-L293 WeakPolarHBondContact O-CB 3.45Å; K289-L293 WeakPolarHBondContact O-CG 3.42Å; K289-L293 PolarHBondContact O-N 3Å; E290-L293 PolarHBondContact O-N 3.03Å; L293-K295 VanDerWaalsContact C-N 3.28Å; L293-Y296 PolarHBondContact O-N 3.3Å
294	N	88.8	Confident	81.6	Confident	118 Å²	118	45.5 Å²	45.5	63%	0.631	25%	0.249	S	C	*	.	H	α-helix	trans	-69.7	-31.1	174	-74.4	-29.5	0	0	0	111.5	E290 E291 I292	E290-N294 VanDerWaalsContact O-CB 3.28Å; E290-N294 WeakPolarHBondContact O-CB 3.4Å; E290-N294 PolarHBondContact O-N 3.16Å; E290-N294 PolarHBondContact O-ND2 3.28Å; E291-N294 PolarHBondContact O-N 2.87Å; I292-N294 VanDerWaalsContact C-N 3.33Å; I292-N294 PolarHBondContact O-N 2.77Å
295	K	86.4	Confident	79.5	Confident	83 Å²	83	44.8 Å²	44.8	36%	0.361	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102	29.5	176.4	-68.9	-71.5	-165.3	123	0	112.5	E278 E291 I292 L293 D297 L298 F299	E278-K295 PolarHBondContact O-NZ 3.45Å; E291-K295 PolarHBondContact O-N 3.02Å; E291-K295 VanDerWaalsContact O-N 3.17Å; I292-K295 CarbonylContact O-C 3.52Å; I292-K295 VanDerWaalsContact O-C 3.25Å; I292-K295 PolarHBondContact O-N 3.19Å; L293-K295 VanDerWaalsContact C-N 3.28Å; K295-D297 PolarHBondContact O-N 3.37Å; K295-L298 WeakPolarHBondContact O-CB 3.39Å; K295-L298 PolarHBondContact O-N 3.17Å; K295-F299 HydrophobicContact CB-CE2 4.34Å; K295-F299 WeakPolarHBondContact O-CD2 3.28Å
296	Y	84.8	Confident	77.3	Confident	33 Å²	33	47.2 Å²	47.2	13%	0.129	25%	0.25	C	C	.	.	H	α-helix	trans	-54.7	-29.6	-175.2	81.1	-70.7	0	0	0	113.7	P68 K72 I292 L293 L298 F299 V300 G301	P68-Y296 HydrophobicContact CB-CE2 4.22Å; K72-Y296 HydrophobicContact CD-CD1 4.31Å; K72-Y296 HydrophobicContact CD-CG 4.37Å; K72-Y296 VanDerWaalsContact CE-CG 3.48Å; K72-Y296 HydrophobicContact CG-CD1 4.28Å; K72-Y296 HydrophobicContact CG-CD2 4.16Å; K72-Y296 HydrophobicContact CG-CG 3.84Å; I292-Y296 PolarHBondContact O-N 2.94Å; I292-Y296 VanDerWaalsContact O-N 3.13Å; L293-Y296 PolarHBondContact O-N 3.3Å; Y296-L298 PolarHBondContact O-N 3.32Å; Y296-F299 PolarHBondContact O-N 3.33Å; Y296-V300 HydrophobicContact CD2-CG2 4.14Å; Y296-V300 WeakPolarHBondContact O-CG2 3.33Å; Y296-V300 PolarHBondContact O-N 2.7Å; Y296-G301 PolarHBondContact O-N 2.9Å
297	D	81.9	Confident	75	Confident	60 Å²	60	50.6 Å²	50.6	32%	0.321	27%	0.265	S	S	.	.	H	α-helix	trans	-62.1	-29.9	177.6	-57.5	-56.3	0	0	0	113	K295 G301	K295-D297 PolarHBondContact O-N 3.37Å; D297-G301 WeakPolarHBondContact O-CA 3.42Å; D297-G301 PolarHBondContact O-N 3.34Å; D297-G301 VanDerWaalsContact O-N 3.1Å
298	L	83.1	Confident	72.5	Confident	8 Å²	8	52.2 Å²	52.2	4%	0.042	28%	0.281	C	S	.	.	H	α-helix	trans	-72.9	-34.6	176	178.4	65.9	0	0	0	112.2	F47 D50 L275 E278 S279 K295 Y296	F47-L298 HydrophobicContact CB-CD1 4.46Å; F47-L298 HydrophobicContact CD1-CD1 3.31Å; F47-L298 HydrophobicContact CE1-CD1 3.7Å; F47-L298 HydrophobicContact CG-CD1 4.01Å; D50-L298 HydrophobicContact CB-CD1 4.48Å; L275-L298 HydrophobicContact CD2-CD1 4.29Å; L275-L298 HydrophobicContact CD2-CD2 3.92Å; L275-L298 HydrophobicContact CD2-CG 3.75Å; E278-L298 HydrophobicContact CB-CD2 3.59Å; S279-L298 WeakPolarHBondContact OG-CD2 3.44Å; K295-L298 WeakPolarHBondContact O-CB 3.39Å; K295-L298 PolarHBondContact O-N 3.17Å; Y296-L298 PolarHBondContact O-N 3.32Å
299	F	82.4	Confident	70	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-94	-36.1	-173.9	-68.3	-92.6	0	0	0	113.2	H51 F54 L75 L275 S279 L287 I292 K295 Y296	H51-F299 PolarHBondContact CD2-O 3.26Å; F54-F299 HydrophobicContact CD1-CB 4.07Å; F54-F299 HydrophobicContact CD1-CD1 4.17Å; F54-F299 WeakPolarHBondContact CD1-O 3.34Å; F54-F299 AromaticContact CD2-CD1 3.77Å; F54-F299 HydrophobicContact CD2-CD1 3.77Å; F54-F299 HydrophobicContact CD2-CE1 4.33Å; F54-F299 HydrophobicContact CE1-CB 4.14Å; F54-F299 HydrophobicContact CE1-CD1 4.12Å; F54-F299 AromaticContact CE2-CD1 3.67Å; F54-F299 HydrophobicContact CE2-CD1 3.67Å; F54-F299 HydrophobicContact CE2-CE1 4.12Å; F54-F299 HydrophobicContact CG-CD1 4.01Å; F54-F299 AromaticContact CZ-CD1 3.86Å; F54-F299 HydrophobicContact CZ-CD1 3.86Å; L75-F299 HydrophobicContact CD1-CB 4.08Å; L75-F299 HydrophobicContact CD2-CB 4.09Å; L275-F299 HydrophobicContact CB-CE1 4.16Å; L275-F299 HydrophobicContact CB-CZ 4.3Å; L275-F299 HydrophobicContact CD1-CD1 4.45Å; L275-F299 HydrophobicContact CD1-CE1 4.12Å; L275-F299 HydrophobicContact CD2-CD1 4.21Å; L275-F299 HydrophobicContact CD2-CE1 4Å; L275-F299 HydrophobicContact CD2-CZ 4.31Å; L275-F299 HydrophobicContact CG-CE1 4.33Å; S279-F299 WeakPolarHBondContact OG-CE2 3.18Å; S279-F299 WeakPolarHBondContact OG-CZ 3.35Å; L287-F299 HydrophobicContact CD1-CZ 4.09Å; I292-F299 HydrophobicContact CB-CE2 4.35Å; I292-F299 HydrophobicContact CB-CZ 4.49Å; I292-F299 HydrophobicContact CG1-CE2 4.4Å; I292-F299 HydrophobicContact CG1-CZ 4.11Å; I292-F299 HydrophobicContact CG2-CD1 4.28Å; I292-F299 HydrophobicContact CG2-CD2 3.91Å; I292-F299 HydrophobicContact CG2-CE1 4.27Å; I292-F299 HydrophobicContact CG2-CE2 3.9Å; I292-F299 HydrophobicContact CG2-CG 4.11Å; I292-F299 HydrophobicContact CG2-CZ 4.09Å; K295-F299 HydrophobicContact CB-CE2 4.34Å; K295-F299 WeakPolarHBondContact O-CD2 3.28Å; Y296-F299 PolarHBondContact O-N 3.33Å
300	V	77.9	Confident	67.4	Low	2 Å²	2	54.2 Å²	54.2	1%	0.012	30%	0.297	C	S	.	.	H	α-helix	trans	-143	13.3	-171.1	-52.1	0	0	0	0	113.1	H51 F54 L55 F63 L75 Y296	H51-V300 VanDerWaalsContact CD2-CA 3.49Å; H51-V300 WeakPolarHBondContact CD2-CA 3.48Å; F54-V300 HydrophobicContact CD1-CG1 4.46Å; F54-V300 HydrophobicContact CE1-CG1 4.43Å; L55-V300 HydrophobicContact CD1-CB 4.35Å; L55-V300 HydrophobicContact CD1-CG1 3.88Å; L55-V300 HydrophobicContact CD2-CG1 4.08Å; L55-V300 HydrophobicContact CG-CG1 4.19Å; F63-V300 HydrophobicContact CD1-CB 3.53Å; F63-V300 HydrophobicContact CD1-CG1 3.99Å; F63-V300 HydrophobicContact CD1-CG2 3.89Å; F63-V300 HydrophobicContact CE1-CB 3.74Å; F63-V300 HydrophobicContact CE1-CG1 3.7Å; F63-V300 HydrophobicContact CE1-CG2 3.97Å; F63-V300 HydrophobicContact CG-CB 4.17Å; F63-V300 HydrophobicContact CZ-CG1 4.1Å; L75-V300 HydrophobicContact CB-CG1 4.24Å; L75-V300 HydrophobicContact CB-CG2 4.28Å; L75-V300 HydrophobicContact CD1-CG1 3.86Å; L75-V300 HydrophobicContact CD2-CG1 4.29Å; L75-V300 HydrophobicContact CD2-CG2 3.99Å; L75-V300 HydrophobicContact CG-CG1 4.35Å; Y296-V300 HydrophobicContact CD2-CG2 4.14Å; Y296-V300 WeakPolarHBondContact O-CG2 3.33Å; Y296-V300 PolarHBondContact O-N 2.7Å
301	G	61.1	Low	64.8	Low	11 Å²	11	53.7 Å²	53.7	11%	0.113	30%	0.299	C	S	.	.			trans	-75.9	124.9	-179.7	0	0	0	0	0	111.1	Y296 D297	Y296-G301 PolarHBondContact O-N 2.9Å; D297-G301 WeakPolarHBondContact O-CA 3.42Å; D297-G301 PolarHBondContact O-N 3.34Å; D297-G301 VanDerWaalsContact O-N 3.1Å
302	S	53	Low	62.3	Low	11 Å²	11	58.7 Å²	58.7	8%	0.077	33%	0.33	C	S	.	.			trans	-91.5	130.5	164.2	92.5	0	0	0	0	108.9	D64 A304 T305	D64-S302 WeakPolarHBondContact OD1-CB 3.4Å; S302-A304 PolarHBondContact O-N 3.49Å; S302-A304 PolarHBondContact OG-N 3.24Å; S302-T305 PolarHBondContact O-N 3.22Å; S302-T305 PolarHBondContact O-OG1 3.01Å; S302-T305 VanDerWaalsContact O-OG1 3.1Å; S302-T305 PolarHBondContact OG-N 3.06Å; S302-T305 PolarHBondContact OG-OG1 3.36Å
303	Q	49	Very low	60	Low	69 Å²	69	67.7 Å²	67.7	32%	0.322	36%	0.364	S	S	.	.	H	α-helix	trans	-62.7	-24.8	167	-74.8	-156	-6.5	0	0	111.3	T45 T305 D306 F307	T45-Q303 PolarHBondContact O-NE2 2.98Å; Q303-T305 VanDerWaalsContact C-N 3.34Å; Q303-T305 PolarHBondContact O-N 2.73Å; Q303-D306 PolarHBondContact O-N 3.43Å; Q303-F307 HydrophobicContact CB-CD2 4.01Å; Q303-F307 HydrophobicContact CB-CE2 4.09Å; Q303-F307 HydrophobicContact CG-CE2 4.38Å; Q303-F307 WeakPolarHBondContact O-CD2 3.42Å; Q303-F307 PolarHBondContact O-N 2.93Å
304	A	45.2	Very low	57.8	Low	71 Å²	71	73.7 Å²	73.7	59%	0.587	39%	0.391	S	S	*	.	H	α-helix	trans	-60.5	-38.9	-179.6	0	0	0	0	0	113.3	S302 G308	S302-A304 PolarHBondContact O-N 3.49Å; S302-A304 PolarHBondContact OG-N 3.24Å; A304-G308 PolarHBondContact O-N 3.31Å
305	T	47.7	Very low	55.5	Low	59 Å²	59	75.5 Å²	75.5	36%	0.362	40%	0.4	S	S	.	.	H	α-helix	trans	-77.2	-36.2	176	48.1	0	0	0	0	112.5	D64 S302 Q303 G308 E309	D64-T305 WeakPolarHBondContact O-CG2 3.44Å; S302-T305 PolarHBondContact O-N 3.22Å; S302-T305 PolarHBondContact O-OG1 3.01Å; S302-T305 VanDerWaalsContact O-OG1 3.1Å; S302-T305 PolarHBondContact OG-N 3.06Å; S302-T305 PolarHBondContact OG-OG1 3.36Å; Q303-T305 VanDerWaalsContact C-N 3.34Å; Q303-T305 PolarHBondContact O-N 2.73Å; T305-G308 PolarHBondContact O-N 3Å; T305-E309 PolarHBondContact O-N 2.98Å
306	D	43.5	Very low	53.1	Low	97 Å²	97	79.8 Å²	79.8	52%	0.519	42%	0.422	S	S	.	.	H	α-helix	trans	-68.7	-40.1	179.4	-122.3	6.6	0	0	0	112.1	Q303 A310	Q303-D306 PolarHBondContact O-N 3.43Å; D306-A310 WeakPolarHBondContact O-CB 3.48Å; D306-A310 PolarHBondContact O-N 2.91Å
307	F	44.7	Very low	50.8	Low	126 Å²	126	91.6 Å²	91.6	55%	0.553	47%	0.474	S	S	*	.	H	α-helix	trans	-76.2	-27.3	171.7	-74.7	-73.6	0	0	0	113.1	Q303 A310 L311	Q303-F307 HydrophobicContact CB-CD2 4.01Å; Q303-F307 HydrophobicContact CB-CE2 4.09Å; Q303-F307 HydrophobicContact CG-CE2 4.38Å; Q303-F307 WeakPolarHBondContact O-CD2 3.42Å; Q303-F307 PolarHBondContact O-N 2.93Å; F307-A310 PolarHBondContact O-N 3.03Å; F307-L311 WeakPolarHBondContact O-CB 3.22Å; F307-L311 WeakPolarHBondContact O-CG 3.32Å; F307-L311 PolarHBondContact O-N 2.98Å
308	G	41	Very low	49.3	Very low	34 Å²	34	93.2 Å²	93.2	35%	0.351	48%	0.482	S	S	.	.	H	α-helix	trans	-63.6	-43.4	171.2	0	0	0	0	0	112.4	A304 T305 V312	A304-G308 PolarHBondContact O-N 3.31Å; T305-G308 PolarHBondContact O-N 3Å; G308-V312 WeakPolarHBondContact O-CG2 3.28Å; G308-V312 PolarHBondContact O-N 3.27Å
309	E	42.5	Very low	47.5	Very low	102 Å²	102	97.7 Å²	97.7	48%	0.477	51%	0.505	S	S	.	.	H	α-helix	trans	-69.4	-35.9	172.3	-103.4	-158	-167	0	0	112.7	T305 L311 V312 R313	T305-E309 PolarHBondContact O-N 2.98Å; E309-L311 VanDerWaalsContact C-N 3.32Å; E309-L311 PolarHBondContact O-N 2.94Å; E309-V312 PolarHBondContact O-N 3.32Å; E309-R313 PolarHBondContact O-N 3.16Å; E309-R313 IonicContact OE2-CZ 3.83Å; E309-R313 IonicContact OE2-NH2 3.71Å; E309-R313 PolarHBondContact OE2-NH2 3.28Å
310	A	37.7	Very low	45.6	Very low	50 Å²	50	103.1 Å²	103.1	41%	0.413	53%	0.533	S	S	.	.	H	α-helix	trans	-65.4	-33.7	176.3	0	0	0	0	0	112.7	D306 F307	D306-A310 WeakPolarHBondContact O-CB 3.48Å; D306-A310 PolarHBondContact O-N 2.91Å; F307-A310 PolarHBondContact O-N 3.03Å
311	L	38	Very low	43.7	Very low	138 Å²	138	109.1 Å²	109.1	72%	0.723	56%	0.564	S	S	*	*	H	α-helix	trans	-74.5	-26.7	175.6	-80	163.8	0	0	0	113.2	F307 E309 R313	F307-L311 WeakPolarHBondContact O-CB 3.22Å; F307-L311 WeakPolarHBondContact O-CG 3.32Å; F307-L311 PolarHBondContact O-N 2.98Å; E309-L311 VanDerWaalsContact C-N 3.32Å; E309-L311 PolarHBondContact O-N 2.94Å; L311-R313 VanDerWaalsContact C-N 3.34Å
312	V	40.8	Very low	42.6	Very low	121 Å²	121	115.2 Å²	115.2	73%	0.733	59%	0.592	S	S	*	*	H	α-helix	trans	-75.9	-21.8	176.7	176.2	0	0	0	0	112.2	G308 E309	G308-V312 WeakPolarHBondContact O-CG2 3.28Å; G308-V312 PolarHBondContact O-N 3.27Å; E309-V312 PolarHBondContact O-N 3.32Å
313	R	41	Very low	41.9	Very low	190 Å²	190	122.1 Å²	122.1	72%	0.717	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.6	0.6	-179.4	-66.7	-171.3	-154.4	169.8	10.3	115.3	E309 L311	E309-R313 PolarHBondContact O-N 3.16Å; E309-R313 IonicContact OE2-CZ 3.83Å; E309-R313 IonicContact OE2-NH2 3.71Å; E309-R313 PolarHBondContact OE2-NH2 3.28Å; L311-R313 VanDerWaalsContact C-N 3.34Å
314	H	43.2	Very low	41.4	Very low	165 Å²	165	125.9 Å²	125.9	76%	0.764	65%	0.648	S	S	*	*	S	Bend	trans	-108.9	13	-174.1	-107.2	-72.8	0	0	0	116.4
315	D	40.2	Very low	41.1	Very low	155 Å²	155	130.2 Å²	130.2	83%	0.829	65%	0.653	S	S	*	*	S	Bend	trans	-124	70.9	167.9	-89.4	-20	0	0	0	110.6
316	E	36.7	Very low	40.5	Very low	174 Å²	174	136.1 Å²	136.1	81%	0.813	68%	0.677	S	S	*	*			trans	-169.8	92.6	150.7	-107.9	178.5	-157.5	0	0	109.2
317	F	37	Very low	40.2	Very low	281 Å²	281	139.6 Å²	139.6	100%	1.232	69%	0.691	S	S	*	*				179.7	0	126.5	-97	-68.1	0	0	0	112.5

Retrieved 317 of 317 residues in 72.1 ms (Link to these results)

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