A0A087Y8Z2_POEFO Loading...

Alpha 1,3-galactosyltransferase 2

AlphaFold DB , UniProt , Accession A0A087Y8Z2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 336 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.2	Very low	30.5	Very low	245 Å²	245	182.5 Å²	182.5	100%	1.207	86%	0.864	S	S	*	*				0	120.2	0	-101.3	160.7	76	0	0	109.3
2	S	30.6	Very low	30.6	Very low	112 Å²	112	181.6 Å²	181.6	78%	0.783	86%	0.855	S	S	*	*			trans	63.6	83.2	160.6	-157	0	0	0	0	119.7
3	F	33.5	Very low	30.7	Very low	214 Å²	214	177.5 Å²	177.5	94%	0.939	84%	0.84	S	S	*	*			trans	-88.6	88.6	151.9	-128.4	-90.8	0	0	0	107.6
4	Q	32.2	Very low	30.7	Very low	175 Å²	175	174.8 Å²	174.8	82%	0.818	82%	0.824	S	S	*	*			trans	-168.9	89.5	168.7	-128.3	169.4	-21	0	0	113
5	R	31.3	Very low	30.9	Very low	257 Å²	257	172 Å²	172	97%	0.97	82%	0.816	S	S	*	*			trans	-161.4	58.3	161.1	-113.5	176.5	-172.5	-167	2.7	111.6
6	S	32.3	Very low	31.8	Very low	113 Å²	113	169.6 Å²	169.6	79%	0.79	80%	0.801	S	S	*	*	S	Bend	trans	-147.5	26	170.6	77.4	0	0	0	0	115.9
7	K	28.4	Very low	32.5	Very low	201 Å²	201	163.8 Å²	163.8	87%	0.874	78%	0.781	S	S	*	*	S	Bend	trans	-120.1	14.2	-177.8	-80.9	-168.9	176.7	-178.4	0	117.1
8	I	31.1	Very low	33.2	Very low	152 Å²	152	159.6 Å²	159.6	78%	0.779	76%	0.763	S	S	*	*	S	Bend	trans	-111.6	-6.4	-178.9	-60.1	177.6	0	0	0	113.7
9	I	30	Very low	33.8	Very low	151 Å²	151	152.9 Å²	152.9	77%	0.774	74%	0.737	S	S	*	*	S	Bend	trans	-89.2	-11.3	-174.7	-63.4	173.3	0	0	0	113.3
10	W	26.4	Very low	34.7	Very low	206 Å²	206	147.4 Å²	147.4	78%	0.78	71%	0.713	S	S	*	*	S	Bend	trans	-102.3	5.7	-169.4	-118.7	55.6	0	0	0	116.6
11	K	26.2	Very low	35.3	Very low	182 Å²	182	143 Å²	143	79%	0.791	70%	0.697	S	S	*	*	S	Bend	trans	-103.1	-5.2	-176.7	-80.3	-170	174.3	-173.7	0	116.2
12	F	32.3	Very low	36.1	Very low	171 Å²	171	135 Å²	135	75%	0.75	66%	0.659	S	S	*	*	S	Bend	trans	-103.6	-6.2	179.3	-78.5	-78.8	0	0	0	114.9
13	L	31.5	Very low	37.2	Very low	128 Å²	128	130.2 Å²	130.2	67%	0.67	62%	0.624	S	S	*	*	S	Bend	trans	-82	-12.7	-178.7	-111.1	90.8	0	0	0	115.1
14	F	30.9	Very low	38.2	Very low	140 Å²	140	125.4 Å²	125.4	61%	0.614	60%	0.603	S	S	*	*	S	Bend	trans	-102.3	-5	-170.7	-80.7	-76.7	0	0	0	115.7	I18	F14-I18 WeakPolarHBondContact O-CD1 3.39Å; F14-I18 WeakPolarHBondContact O-CG1 3.35Å
15	L	34.1	Very low	39.4	Very low	133 Å²	133	125 Å²	125	70%	0.696	60%	0.599	S	S	*	*	S	Bend	trans	-91.6	-18.5	172.8	-81.1	158.5	0	0	0	113
16	F	44.4	Very low	41	Very low	133 Å²	133	113.3 Å²	113.3	58%	0.583	56%	0.558	S	S	*	*	H	α-helix	trans	-71.3	-34.6	-173	-128.7	-94.4	0	0	0	115.2	L282	F16-L282 HydrophobicContact CE1-CD1 4.15Å
17	P	44.8	Very low	42.9	Very low	71 Å²	71	111.4 Å²	111.4	46%	0.461	54%	0.543	S	S	.	.	H	α-helix	trans	-83.1	-18.4	176.5	-8.5	25.3	0	0	0	113.3	T20 S21	P17-T20 PolarHBondContact O-OG1 3.18Å; P17-S21 WeakPolarHBondContact O-CB 3.32Å; P17-S21 PolarHBondContact O-N 3.35Å
18	I	43.5	Very low	45.1	Very low	89 Å²	89	107 Å²	107	46%	0.456	54%	0.535	S	S	.	.	H	α-helix	trans	-78.1	-44.5	-163.8	-61.1	178.1	0	0	0	111.6	F14 S21 I22	F14-I18 WeakPolarHBondContact O-CD1 3.39Å; F14-I18 WeakPolarHBondContact O-CG1 3.35Å; I18-S21 PolarHBondContact O-N 2.88Å; I18-I22 HydrophobicContact CG2-CD1 3.56Å; I18-I22 HydrophobicContact CG2-CG1 4.24Å; I18-I22 WeakPolarHBondContact O-CB 3.34Å; I18-I22 WeakPolarHBondContact O-CD1 3.43Å; I18-I22 WeakPolarHBondContact O-CG1 3.35Å; I18-I22 PolarHBondContact O-N 3.4Å
19	A	46.3	Very low	47.1	Very low	33 Å²	33	103.5 Å²	103.5	27%	0.273	52%	0.524	S	S	.	.	H	α-helix	trans	-68.5	-42.7	-177.5	0	0	0	0	0	112.7	M23	A19-M23 PolarHBondContact O-N 3.1Å
20	T	50.5	Low	49.3	Very low	42 Å²	42	99 Å²	99	26%	0.258	50%	0.503	S	S	.	.	H	α-helix	trans	-70	-39.3	175.7	48.2	0	0	0	0	111.6	P17 M23 F24 T230 W283	P17-T20 PolarHBondContact O-OG1 3.18Å; T20-M23 PolarHBondContact O-N 2.81Å; T20-F24 WeakPolarHBondContact O-CD2 3.31Å; T20-F24 PolarHBondContact O-N 3.34Å; T20-T230 HydrophobicContact CG2-CG2 4.04Å; T20-W283 HydrophobicContact CG2-CZ2 4.28Å
21	S	47.3	Very low	51.6	Low	54 Å²	54	91 Å²	91	38%	0.378	47%	0.473	S	S	.	.	H	α-helix	trans	-70	-34.6	177	-167.5	0	0	0	0	112.4	P17 I18 F25	P17-S21 WeakPolarHBondContact O-CB 3.32Å; P17-S21 PolarHBondContact O-N 3.35Å; I18-S21 PolarHBondContact O-N 2.88Å; S21-F25 WeakPolarHBondContact O-CA 3.43Å; S21-F25 VanDerWaalsContact O-CB 3.23Å; S21-F25 WeakPolarHBondContact O-CB 3.41Å; S21-F25 WeakPolarHBondContact O-CD2 3.36Å; S21-F25 PolarHBondContact O-N 3.16Å; S21-F25 WeakPolarHBondContact OG-CD2 3.37Å
22	I	49.9	Very low	54.2	Low	77 Å²	77	87.8 Å²	87.8	40%	0.395	46%	0.459	S	S	.	.	H	α-helix	trans	-63.1	-42.2	171.4	-71.9	168.4	0	0	0	110.3	I18 F24 A26	I18-I22 HydrophobicContact CG2-CD1 3.56Å; I18-I22 HydrophobicContact CG2-CG1 4.24Å; I18-I22 WeakPolarHBondContact O-CB 3.34Å; I18-I22 WeakPolarHBondContact O-CD1 3.43Å; I18-I22 WeakPolarHBondContact O-CG1 3.35Å; I18-I22 PolarHBondContact O-N 3.4Å; I22-F24 PolarHBondContact O-N 3Å; I22-A26 HydrophobicContact CG2-CB 3.92Å; I22-A26 WeakPolarHBondContact O-CA 3.2Å; I22-A26 WeakPolarHBondContact O-CB 3.33Å; I22-A26 PolarHBondContact O-N 3.45Å
23	M	54.4	Low	56.7	Low	12 Å²	12	84.7 Å²	84.7	6%	0.059	45%	0.45	C	S	.	.	H	α-helix	trans	-64	-44.9	179.5	-83.3	-173.9	-75.3	0	0	113.3	A19 T20 R31 H220 Y221 L224	A19-M23 PolarHBondContact O-N 3.1Å; T20-M23 PolarHBondContact O-N 2.81Å; M23-R31 PolarHBondContact O-NE 3.47Å; M23-R31 VanDerWaalsContact O-NE 3.14Å; M23-R31 PolarHBondContact O-NH2 3.16Å; M23-H220 HydrophobicContact SD-CB 3.93Å; M23-Y221 HydrophobicContact CE-CD1 4.39Å; M23-Y221 HydrophobicContact CE-CE1 3.47Å; M23-Y221 VanDerWaalsContact CE-CE1 3.47Å; M23-Y221 HydrophobicContact CE-CE2 4.25Å; M23-Y221 WeakPolarHBondContact CE-OH 3.41Å; M23-Y221 HydrophobicContact SD-CD1 4.39Å; M23-Y221 HydrophobicContact SD-CE1 3.96Å; M23-Y221 HydrophobicContact SD-CE2 4.15Å; M23-L224 HydrophobicContact CE-CD1 4.43Å; M23-L224 HydrophobicContact SD-CD1 3.78Å
24	F	53.7	Low	59.4	Low	114 Å²	114	80 Å²	80	50%	0.5	43%	0.425	S	S	.	.	H	α-helix	trans	-86.2	-24.9	-177	-70.8	-74.7	0	0	0	114.9	T20 I22 R31	T20-F24 WeakPolarHBondContact O-CD2 3.31Å; T20-F24 PolarHBondContact O-N 3.34Å; I22-F24 PolarHBondContact O-N 3Å; F24-R31 PolarHBondContact O-NH2 2.78Å
25	F	58.9	Low	62	Low	165 Å²	165	74 Å²	74	72%	0.724	40%	0.403	S	S	*	.	H	α-helix	trans	-121.1	0.1	-175.2	-57.4	-84.8	0	0	0	114.5	S21	S21-F25 WeakPolarHBondContact O-CA 3.43Å; S21-F25 VanDerWaalsContact O-CB 3.23Å; S21-F25 WeakPolarHBondContact O-CB 3.41Å; S21-F25 WeakPolarHBondContact O-CD2 3.36Å; S21-F25 PolarHBondContact O-N 3.16Å; S21-F25 WeakPolarHBondContact OG-CD2 3.37Å
26	A	64.7	Low	64.5	Low	13 Å²	13	73.2 Å²	73.2	11%	0.107	40%	0.399	C	S	.	.	S	Bend	trans	-66.3	141.5	174.3	0	0	0	0	0	111	I22 V30	I22-A26 HydrophobicContact CG2-CB 3.92Å; I22-A26 WeakPolarHBondContact O-CA 3.2Å; I22-A26 WeakPolarHBondContact O-CB 3.33Å; I22-A26 PolarHBondContact O-N 3.45Å; A26-V30 HydrophobicContact CB-CB 3.91Å; A26-V30 HydrophobicContact CB-CG1 3.83Å
27	P	71.8	Confident	66.8	Low	73 Å²	73	69.5 Å²	69.5	47%	0.474	39%	0.385	S	S	.	.			trans	-54.5	150.3	173.4	-23.9	32.5	0	0	0	111.6	S29 V30 R31	P27-S29 PolarHBondContact O-N 3.25Å; P27-V30 PolarHBondContact O-N 3.23Å; P27-R31 PolarHBondContact O-N 3.4Å
28	P	73.4	Confident	69	Low	109 Å²	109	71.4 Å²	71.4	71%	0.708	40%	0.397	S	S	*	.	H	α-helix	trans	-51.2	-31.5	176.1	-29.1	35.3	0	0	0	114.2	R31 F32	P28-R31 PolarHBondContact O-N 3.47Å; P28-F32 WeakPolarHBondContact O-CB 3.44Å; P28-F32 PolarHBondContact O-N 3.2Å
29	S	73.1	Confident	71.4	Confident	78 Å²	78	68 Å²	68	55%	0.545	38%	0.379	S	S	.	.	H	α-helix	trans	-63.8	-39.5	175.7	54.2	0	0	0	0	113.3	P27 F32 L33	P27-S29 PolarHBondContact O-N 3.25Å; S29-F32 WeakPolarHBondContact O-CB 3.33Å; S29-F32 PolarHBondContact O-N 3.01Å; S29-L33 WeakPolarHBondContact O-CG 3.29Å; S29-L33 PolarHBondContact O-N 3.02Å; S29-L33 VanDerWaalsContact O-N 3.17Å
30	V	76.1	Confident	73.6	Confident	56 Å²	56	71.3 Å²	71.3	34%	0.339	39%	0.392	S	S	.	.	H	α-helix	trans	-71.5	-40.3	176.7	174	0	0	0	0	110.2	A26 P27 F32 L33 I34	A26-V30 HydrophobicContact CB-CB 3.91Å; A26-V30 HydrophobicContact CB-CG1 3.83Å; P27-V30 PolarHBondContact O-N 3.23Å; V30-F32 VanDerWaalsContact C-N 3.3Å; V30-F32 PolarHBondContact O-N 3.47Å; V30-L33 PolarHBondContact O-N 3.18Å; V30-I34 PolarHBondContact O-N 3.02Å
31	R	76.6	Confident	75.6	Confident	39 Å²	39	74.2 Å²	74.2	15%	0.147	40%	0.402	C	S	.	.	H	α-helix	trans	-59.4	-43.9	172.3	-67.6	-174.9	-179.6	164	6.1	110.6	M23 F24 P27 P28 L33 I34 S311 R315	M23-R31 PolarHBondContact O-NE 3.47Å; M23-R31 VanDerWaalsContact O-NE 3.14Å; M23-R31 PolarHBondContact O-NH2 3.16Å; F24-R31 PolarHBondContact O-NH2 2.78Å; P27-R31 PolarHBondContact O-N 3.4Å; P28-R31 PolarHBondContact O-N 3.47Å; R31-L33 VanDerWaalsContact C-N 3.32Å; R31-L33 PolarHBondContact O-N 3.48Å; R31-I34 WeakPolarHBondContact O-CB 3.16Å; R31-I34 PolarHBondContact O-N 3.11Å; R31-I34 VanDerWaalsContact O-N 3.12Å; R31-S311 PolarHBondContact NH1-O 3.42Å; R31-R315 PolarHBondContact O-NH1 2.96Å; R31-R315 PolarHBondContact O-NH2 2.72Å
32	F	80.4	Confident	77.7	Confident	114 Å²	114	72.8 Å²	72.8	50%	0.5	39%	0.391	S	S	.	.	H	α-helix	trans	-55.6	-45.5	175.9	-176.3	-98.5	0	0	0	112.1	P28 S29 V30 I34 G35 L36 R315	P28-F32 WeakPolarHBondContact O-CB 3.44Å; P28-F32 PolarHBondContact O-N 3.2Å; S29-F32 WeakPolarHBondContact O-CB 3.33Å; S29-F32 PolarHBondContact O-N 3.01Å; V30-F32 VanDerWaalsContact C-N 3.3Å; V30-F32 PolarHBondContact O-N 3.47Å; F32-I34 VanDerWaalsContact C-N 3.28Å; F32-I34 PolarHBondContact O-N 3.35Å; F32-G35 PolarHBondContact O-N 3.18Å; F32-G35 VanDerWaalsContact O-N 3.17Å; F32-L36 HydrophobicContact CE1-CD1 4.41Å; F32-R315 PolarHBondContact O-NH1 3.45Å
33	L	85	Confident	79.6	Confident	106 Å²	106	75 Å²	75	56%	0.555	41%	0.409	S	S	*	.	H	α-helix	trans	-61.2	-30.9	178.4	-67.2	174.4	0	0	0	114	S29 V30 R31 G35 L36	S29-L33 WeakPolarHBondContact O-CG 3.29Å; S29-L33 PolarHBondContact O-N 3.02Å; S29-L33 VanDerWaalsContact O-N 3.17Å; V30-L33 PolarHBondContact O-N 3.18Å; R31-L33 VanDerWaalsContact C-N 3.32Å; R31-L33 PolarHBondContact O-N 3.48Å; L33-G35 PolarHBondContact O-N 3.39Å; L33-L36 HydrophobicContact CD2-CD1 3.91Å; L33-L36 WeakPolarHBondContact O-CB 3.38Å; L33-L36 PolarHBondContact O-N 3.27Å
34	I	87.1	Confident	81.3	Confident	28 Å²	28	75.1 Å²	75.1	14%	0.144	41%	0.409	C	S	.	.	H	α-helix	trans	-58.5	-36.9	177.3	-68.6	168.1	0	0	0	111.5	V30 R31 F32 L36 I37 H223 L224	V30-I34 PolarHBondContact O-N 3.02Å; R31-I34 WeakPolarHBondContact O-CB 3.16Å; R31-I34 PolarHBondContact O-N 3.11Å; R31-I34 VanDerWaalsContact O-N 3.12Å; F32-I34 VanDerWaalsContact C-N 3.28Å; F32-I34 PolarHBondContact O-N 3.35Å; I34-L36 PolarHBondContact O-N 2.61Å; I34-I37 WeakPolarHBondContact O-CB 3.27Å; I34-I37 VanDerWaalsContact O-CG1 3.31Å; I34-I37 WeakPolarHBondContact O-CG1 3.46Å; I34-I37 PolarHBondContact O-N 3.25Å; I34-I37 VanDerWaalsContact O-N 3.14Å; I34-H223 HydrophobicContact CG2-CB 3.98Å; I34-H223 VanDerWaalsContact O-CB 3.32Å; I34-H223 WeakPolarHBondContact O-CB 3.24Å; I34-L224 HydrophobicContact CD1-CD2 4.13Å; I34-L224 HydrophobicContact CG1-CD2 4.14Å; I34-L224 HydrophobicContact CG2-CD2 3.69Å; I34-L224 HydrophobicContact CG2-CG 4.28Å
35	G	85.2	Confident	82.6	Confident	16 Å²	16	77.8 Å²	77.8	17%	0.165	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-6.4	-180	0	0	0	0	0	114.2	F32 L33 I37 R315	F32-G35 PolarHBondContact O-N 3.18Å; F32-G35 VanDerWaalsContact O-N 3.17Å; L33-G35 PolarHBondContact O-N 3.39Å; G35-I37 VanDerWaalsContact C-N 3.33Å; G35-R315 VanDerWaalsContact CA-CZ 3.44Å; G35-R315 VanDerWaalsContact N-CZ 3.3Å
36	L	88.5	Confident	83.7	Confident	115 Å²	115	71.7 Å²	71.7	60%	0.602	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-8.1	172	-55.5	-179.3	0	0	0	112	F32 L33 I34 P38	F32-L36 HydrophobicContact CE1-CD1 4.41Å; L33-L36 HydrophobicContact CD2-CD1 3.91Å; L33-L36 WeakPolarHBondContact O-CB 3.38Å; L33-L36 PolarHBondContact O-N 3.27Å; I34-L36 PolarHBondContact O-N 2.61Å; L36-P38 WeakPolarHBondContact O-CD 3.43Å
37	I	91.4	Very high	84.5	Confident	56 Å²	56	72.2 Å²	72.2	29%	0.287	40%	0.403	S	S	.	.	S	Bend	trans	-71.2	118.7	176.1	-57.8	173.1	0	0	0	107.6	I34 G35 M39 H223	I34-I37 WeakPolarHBondContact O-CB 3.27Å; I34-I37 VanDerWaalsContact O-CG1 3.31Å; I34-I37 WeakPolarHBondContact O-CG1 3.46Å; I34-I37 PolarHBondContact O-N 3.25Å; I34-I37 VanDerWaalsContact O-N 3.14Å; G35-I37 VanDerWaalsContact C-N 3.33Å; I37-M39 PolarHBondContact O-N 3.32Å; I37-H223 HydrophobicContact CB-CB 4.44Å; I37-H223 WeakPolarHBondContact CB-O 3.43Å; I37-H223 VanDerWaalsContact CG2-O 3.22Å; I37-H223 WeakPolarHBondContact CG2-O 3.37Å; I37-H223 PolarHBondContact O-CE1 3.41Å; I37-H223 PolarHBondContact O-ND1 2.94Å
38	P	91.8	Very high	85	Confident	111 Å²	111	77.3 Å²	77.3	72%	0.721	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-65.4	138	-177	27.2	-34.2	0	0	0	110.6	L36	L36-P38 WeakPolarHBondContact O-CD 3.43Å
39	M	93.8	Very high	85.4	Confident	16 Å²	16	75.6 Å²	75.6	8%	0.079	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-76.7	158.8	165.2	-59.7	-176.6	76.3	0	0	110.3	I37 V68 Q69 W80 L217 Y222	I37-M39 PolarHBondContact O-N 3.32Å; M39-V68 HydrophobicContact SD-CB 3.97Å; M39-V68 HydrophobicContact SD-CG1 4.04Å; M39-Q69 HydrophobicContact CB-CB 4.12Å; M39-Q69 HydrophobicContact CE-CB 3.94Å; M39-W80 HydrophobicContact CE-CZ2 4.25Å; M39-W80 HydrophobicContact SD-CH2 4.5Å; M39-W80 HydrophobicContact SD-CZ2 4.12Å; M39-L217 HydrophobicContact CE-CD1 4.47Å; M39-Y222 HydrophobicContact CE-CD2 4.08Å; M39-Y222 HydrophobicContact SD-CD2 3.85Å; M39-Y222 HydrophobicContact SD-CE2 4.25Å
40	D	92.3	Very high	86	Confident	103 Å²	103	72.6 Å²	72.6	55%	0.551	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-58.1	161.3	168.2	-70.5	-27	0	0	0	110.6	Q69	D40-Q69 HydrophobicContact CB-CG 4.41Å; D40-Q69 VanDerWaalsContact O-CA 3.29Å; D40-Q69 WeakPolarHBondContact O-CA 3.48Å; D40-Q69 WeakPolarHBondContact O-CB 3.4Å; D40-Q69 VanDerWaalsContact O-CG 3.31Å; D40-Q69 WeakPolarHBondContact O-CG 3.38Å
41	K	91.6	Very high	86	Confident	104 Å²	104	74 Å²	74	45%	0.452	39%	0.39	S	S	.	.			trans	-108.4	149.4	178.3	-64.4	-67.1	165	-166.2	0	111.3	T43 N66 D67 V68	K41-T43 PolarHBondContact O-N 2.98Å; K41-N66 PolarHBondContact NZ-O 3.06Å; K41-D67 PolarHBondContact NZ-O 3.1Å; K41-D67 VanDerWaalsContact NZ-O 3.16Å; K41-V68 PolarHBondContact NZ-O 2.91Å; K41-V68 VanDerWaalsContact NZ-O 3.16Å
42	C	91.7	Very high	85.4	Confident	23 Å²	23	74.1 Å²	74.1	16%	0.155	40%	0.397	C	S	.	.			trans	-66.9	128.7	171.3	-175.5	0	0	0	0	109.4	T70 C71	C42-T70 WeakPolarHBondContact CB-OG1 3.43Å; C42-C71 WeakPolarHBondContact CA-SG 3.43Å; C42-C71 HydrophobicContact CB-CB 3.94Å; C42-C71 WeakPolarHBondContact CB-SG 3.31Å; C42-C71 WeakPolarHBondContact SG-CB 3.22Å; C42-C71 CovalentContact SG-SG 2.03Å; C42-C71 PolarHBondContact SG-SG 3.33Å
43	T	90.1	Very high	84.7	Confident	125 Å²	125	72.4 Å²	72.4	77%	0.767	41%	0.412	S	S	*	.			trans	-103.6	5.1	-179.1	57	0	0	0	0	113	K41	K41-T43 PolarHBondContact O-N 2.98Å
44	L	89.4	Confident	84.4	Confident	13 Å²	13	67.9 Å²	67.9	7%	0.068	39%	0.388	C	S	.	.			trans	-74.4	135.3	178.4	-58.8	179.5	0	0	0	110.3	M49 L50 L62 W63 C71 K75	L44-M49 HydrophobicContact CD1-CB 4.49Å; L44-M49 HydrophobicContact CD2-CB 3.94Å; L44-M49 HydrophobicContact CD2-CE 4.21Å; L44-M49 HydrophobicContact CD2-SD 4.43Å; L44-L50 HydrophobicContact CD1-CD2 3.53Å; L44-L50 HydrophobicContact CD1-CG 4.18Å; L44-L62 HydrophobicContact CB-CD1 4.35Å; L44-L62 HydrophobicContact CD1-CD1 4.24Å; L44-W63 WeakPolarHBondContact O-CZ2 3.35Å; L44-C71 HydrophobicContact CD1-CB 4.04Å; L44-K75 HydrophobicContact CD1-CB 4.13Å; L44-K75 HydrophobicContact CD2-CB 4.31Å; L44-K75 HydrophobicContact CD2-CD 4.04Å; L44-K75 HydrophobicContact CD2-CG 4Å
45	E	81.6	Confident	84.1	Confident	170 Å²	170	69.8 Å²	69.8	79%	0.794	40%	0.404	S	S	*	.	S	Bend	trans	-85.4	-24	178.4	-63.3	179.7	177	0	0	112.3	M49 W63	E45-M49 HydrophobicContact CB-SD 4.12Å; E45-W63 VanDerWaalsContact O-CH2 3.26Å; E45-W63 WeakPolarHBondContact O-CH2 3.28Å; E45-W63 VanDerWaalsContact O-CZ2 3.25Å; E45-W63 WeakPolarHBondContact O-CZ2 3.42Å
46	S	81.6	Confident	84.1	Confident	38 Å²	38	69 Å²	69	27%	0.266	40%	0.396	S	S	.	.			trans	-144.4	152.8	176.3	83.5	0	0	0	0	111.7	E48 M49	S46-E48 PolarHBondContact O-N 2.99Å; S46-E48 PolarHBondContact OG-N 2.87Å; S46-M49 WeakPolarHBondContact O-CB 3.45Å; S46-M49 PolarHBondContact O-N 3.37Å; S46-M49 VanDerWaalsContact O-N 3.14Å
47	V	82.8	Confident	84.1	Confident	23 Å²	23	63.7 Å²	63.7	14%	0.139	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-63.3	-27.8	174.7	-178.7	0	0	0	0	111.5	M49 L50 D57 L60 L62 W63	V47-M49 PolarHBondContact O-N 3.48Å; V47-M49 VanDerWaalsContact O-N 3.17Å; V47-L50 HydrophobicContact CG1-CD1 3.88Å; V47-L50 VanDerWaalsContact O-CB 3.29Å; V47-L50 WeakPolarHBondContact O-CB 3.24Å; V47-L50 WeakPolarHBondContact O-CG 3.49Å; V47-L50 PolarHBondContact O-N 3.1Å; V47-D57 WeakPolarHBondContact CG1-O 3.34Å; V47-L60 HydrophobicContact CG1-CB 4.29Å; V47-L60 WeakPolarHBondContact CG2-O 3.43Å; V47-L62 HydrophobicContact CG2-CD1 4.34Å; V47-L62 HydrophobicContact CG2-CG 4.26Å; V47-W63 HydrophobicContact CG2-CZ3 4.24Å
48	E	81.7	Confident	83.9	Confident	181 Å²	181	65.6 Å²	65.6	85%	0.846	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-62.9	-20	176	-56.8	176.4	162	0	0	112.6	S46 L50	S46-E48 PolarHBondContact O-N 2.99Å; S46-E48 PolarHBondContact OG-N 2.87Å; E48-L50 VanDerWaalsContact C-N 3.27Å; E48-L50 PolarHBondContact O-N 3.05Å
49	M	80.8	Confident	83.8	Confident	72 Å²	72	62.2 Å²	62.2	36%	0.355	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-77.5	-12	175.9	-59.3	178.5	72.8	0	0	113	L44 E45 S46 V47 T51 K75	L44-M49 HydrophobicContact CD1-CB 4.49Å; L44-M49 HydrophobicContact CD2-CB 3.94Å; L44-M49 HydrophobicContact CD2-CE 4.21Å; L44-M49 HydrophobicContact CD2-SD 4.43Å; E45-M49 HydrophobicContact CB-SD 4.12Å; S46-M49 WeakPolarHBondContact O-CB 3.45Å; S46-M49 PolarHBondContact O-N 3.37Å; S46-M49 VanDerWaalsContact O-N 3.14Å; V47-M49 PolarHBondContact O-N 3.48Å; V47-M49 VanDerWaalsContact O-N 3.17Å; M49-T51 PolarHBondContact O-N 3.07Å; M49-K75 WeakPolarHBondContact O-CD 3.31Å
50	L	86.5	Confident	83.8	Confident	16 Å²	16	61.8 Å²	61.8	8%	0.084	36%	0.363	C	S	.	.	S	Bend	trans	-60.9	135.4	175.7	-68.6	173	0	0	0	109.9	L44 V47 E48 S52 D57 L60 L62 C71 K75 P77	L44-L50 HydrophobicContact CD1-CD2 3.53Å; L44-L50 HydrophobicContact CD1-CG 4.18Å; V47-L50 HydrophobicContact CG1-CD1 3.88Å; V47-L50 VanDerWaalsContact O-CB 3.29Å; V47-L50 WeakPolarHBondContact O-CB 3.24Å; V47-L50 WeakPolarHBondContact O-CG 3.49Å; V47-L50 PolarHBondContact O-N 3.1Å; E48-L50 VanDerWaalsContact C-N 3.27Å; E48-L50 PolarHBondContact O-N 3.05Å; L50-S52 PolarHBondContact O-N 3.24Å; L50-D57 HydrophobicContact CD1-CB 4.39Å; L50-L60 HydrophobicContact CD1-CD1 4.06Å; L50-L62 HydrophobicContact CD1-CD1 4.39Å; L50-L62 HydrophobicContact CD1-CD2 4.45Å; L50-L62 HydrophobicContact CD2-CD1 4.25Å; L50-L62 HydrophobicContact CG-CD1 4.33Å; L50-C71 HydrophobicContact CD2-CB 4.39Å; L50-K75 VanDerWaalsContact CA-O 3.31Å; L50-K75 WeakPolarHBondContact CA-O 3.37Å; L50-K75 VanDerWaalsContact CD2-O 3.24Å; L50-K75 WeakPolarHBondContact CD2-O 2.99Å; L50-P77 HydrophobicContact CD1-CB 4.37Å; L50-P77 HydrophobicContact CD2-CB 4.4Å
51	T	76.1	Confident	83.9	Confident	84 Å²	84	60.4 Å²	60.4	52%	0.515	36%	0.356	S	S	.	.			trans	-75.6	61.4	165.5	23.9	0	0	0	0	108.4	M49 W74 K75	M49-T51 PolarHBondContact O-N 3.07Å; T51-W74 PolarHBondContact OG1-O 3.48Å; T51-K75 PolarHBondContact N-O 3.34Å; T51-K75 VanDerWaalsContact OG1-C 3.3Å; T51-K75 WeakPolarHBondContact OG1-CB 3.07Å; T51-K75 PolarHBondContact OG1-O 3.37Å; T51-K75 VanDerWaalsContact OG1-O 3.09Å
52	S	64.7	Low	84	Confident	42 Å²	42	55.6 Å²	55.6	29%	0.294	34%	0.335	S	S	.	.			trans	-96.3	120.9	-177	-175.5	0	0	0	0	111.7	L50 N54 D57	L50-S52 PolarHBondContact O-N 3.24Å; S52-N54 WeakPolarHBondContact OG-CA 3.47Å; S52-N54 PolarHBondContact OG-N 3.11Å; S52-N54 PolarHBondContact OG-O 2.85Å; S52-N54 VanDerWaalsContact OG-O 3.08Å; S52-D57 VanDerWaalsContact CB-OD2 3.3Å; S52-D57 WeakPolarHBondContact CB-OD2 3.38Å; S52-D57 WeakPolarHBondContact OG-CB 3.41Å; S52-D57 VanDerWaalsContact OG-CG 3.25Å; S52-D57 PolarHBondContact OG-OD2 3.41Å
53	G	64.9	Low	84.1	Confident	79 Å²	79	60.1 Å²	60.1	81%	0.814	35%	0.349	S	S	*	.	S	Bend	trans	-78.4	1.6	161.3	0	0	0	0	0	113.2
54	N	79	Confident	84.3	Confident	11 Å²	11	56.3 Å²	56.3	6%	0.059	33%	0.328	C	S	.	.			trans	-110.3	105.4	-177.8	-167.3	-10.5	0	0	0	111.5	S52 A56 D57 H93 K96 L210 R300	S52-N54 WeakPolarHBondContact OG-CA 3.47Å; S52-N54 PolarHBondContact OG-N 3.11Å; S52-N54 PolarHBondContact OG-O 2.85Å; S52-N54 VanDerWaalsContact OG-O 3.08Å; N54-A56 PolarHBondContact O-N 3.46Å; N54-A56 WeakPolarHBondContact OD1-CB 3.23Å; N54-A56 PolarHBondContact OD1-N 2.84Å; N54-A56 VanDerWaalsContact OD1-N 3.1Å; N54-D57 VanDerWaalsContact O-CB 3.28Å; N54-D57 WeakPolarHBondContact O-CB 3.06Å; N54-D57 PolarHBondContact O-N 3.37Å; N54-H93 PolarHBondContact ND2-NE2 3.17Å; N54-K96 PolarHBondContact OD1-NZ 2.78Å; N54-L210 PolarHBondContact ND2-O 2.03Å; N54-L210 VanDerWaalsContact ND2-O 3.14Å; N54-R300 PolarHBondContact ND2-NH2 3.2Å
55	S	79.9	Confident	84.5	Confident	68 Å²	68	56 Å²	56	48%	0.476	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-55.9	-17.6	176.6	69.6	0	0	0	0	115.7	D57 S58 I92 K96	S55-D57 PolarHBondContact O-N 3.14Å; S55-S58 PolarHBondContact O-OG 2.84Å; S55-I92 WeakPolarHBondContact OG-CG2 3.38Å; S55-K96 WeakPolarHBondContact OG-CE 3.47Å; S55-K96 PolarHBondContact OG-NZ 2.98Å
56	A	85.4	Confident	85.1	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-71.3	-19.5	174.6	0	0	0	0	0	113	N54 S58 S59 Y89 I92	N54-A56 PolarHBondContact O-N 3.46Å; N54-A56 WeakPolarHBondContact OD1-CB 3.23Å; N54-A56 PolarHBondContact OD1-N 2.84Å; N54-A56 VanDerWaalsContact OD1-N 3.1Å; A56-S58 PolarHBondContact O-N 2.73Å; A56-S59 PolarHBondContact O-N 2.89Å; A56-S59 PolarHBondContact O-OG 3.45Å; A56-Y89 HydrophobicContact CB-CD1 3.58Å; A56-Y89 HydrophobicContact CB-CD2 4.36Å; A56-Y89 HydrophobicContact CB-CE1 3.46Å; A56-Y89 VanDerWaalsContact CB-CE1 3.46Å; A56-Y89 HydrophobicContact CB-CE2 4.25Å; A56-Y89 HydrophobicContact CB-CG 4.05Å; A56-I92 VanDerWaalsContact CA-CD1 3.45Å; A56-I92 HydrophobicContact CB-CB 4.19Å; A56-I92 HydrophobicContact CB-CD1 3.68Å; A56-I92 HydrophobicContact CB-CG2 4.03Å
57	D	89.6	Confident	85.7	Confident	3 Å²	3	55.6 Å²	55.6	2%	0.016	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-70.1	-17.4	-174.8	-71	-3.8	0	0	0	113.3	V47 L50 S52 N54 S55 S59 L60 Y89 R300	V47-D57 WeakPolarHBondContact CG1-O 3.34Å; L50-D57 HydrophobicContact CD1-CB 4.39Å; S52-D57 VanDerWaalsContact CB-OD2 3.3Å; S52-D57 WeakPolarHBondContact CB-OD2 3.38Å; S52-D57 WeakPolarHBondContact OG-CB 3.41Å; S52-D57 VanDerWaalsContact OG-CG 3.25Å; S52-D57 PolarHBondContact OG-OD2 3.41Å; N54-D57 VanDerWaalsContact O-CB 3.28Å; N54-D57 WeakPolarHBondContact O-CB 3.06Å; N54-D57 PolarHBondContact O-N 3.37Å; S55-D57 PolarHBondContact O-N 3.14Å; D57-S59 PolarHBondContact O-N 3.24Å; D57-L60 HydrophobicContact CB-CD1 3.7Å; D57-L60 HydrophobicContact CB-CG 4.37Å; D57-L60 WeakPolarHBondContact O-CB 3.14Å; D57-L60 PolarHBondContact O-N 3.42Å; D57-Y89 PolarHBondContact OD1-OH 3.31Å; D57-R300 IonicContact OD1-CZ 3.82Å; D57-R300 IonicContact OD1-NH1 2.67Å; D57-R300 PolarHBondContact OD1-NH1 3.43Å; D57-R300 IonicContact OD1-NH2 3.66Å; D57-R300 PolarHBondContact OD1-NH2 2.8Å; D57-R300 IonicContact OD2-CZ 3.89Å; D57-R300 IonicContact OD2-NH2 3.49Å; D57-R300 PolarHBondContact OD2-NH2 3.44Å
58	S	86.7	Confident	86.4	Confident	95 Å²	95	54.6 Å²	54.6	66%	0.664	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-58	-19	172.7	58.3	0	0	0	0	113.4	S55 A56	S55-S58 PolarHBondContact O-OG 2.84Å; A56-S58 PolarHBondContact O-N 2.73Å
59	S	89.6	Confident	87.1	Confident	41 Å²	41	46.6 Å²	46.6	29%	0.287	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-94.3	-2.2	176.1	71.3	0	0	0	0	114.8	A56 D57 H88	A56-S59 PolarHBondContact O-N 2.89Å; A56-S59 PolarHBondContact O-OG 3.45Å; D57-S59 PolarHBondContact O-N 3.24Å; S59-H88 PolarHBondContact OG-CD2 2.61Å
60	L	94	Very high	87.9	Confident	6 Å²	6	43.3 Å²	43.3	3%	0.031	27%	0.266	C	S	.	.			trans	-67.1	134.2	-179.8	-78.9	168.5	0	0	0	111.3	V47 L50 D57 P77 I79 M83 F84 Y89	V47-L60 HydrophobicContact CG1-CB 4.29Å; V47-L60 WeakPolarHBondContact CG2-O 3.43Å; L50-L60 HydrophobicContact CD1-CD1 4.06Å; D57-L60 HydrophobicContact CB-CD1 3.7Å; D57-L60 HydrophobicContact CB-CG 4.37Å; D57-L60 WeakPolarHBondContact O-CB 3.14Å; D57-L60 PolarHBondContact O-N 3.42Å; L60-P77 HydrophobicContact CD1-CB 3.84Å; L60-P77 HydrophobicContact CD1-CG 4.19Å; L60-I79 HydrophobicContact CD1-CD1 4.46Å; L60-I79 HydrophobicContact CD2-CD1 4.37Å; L60-M83 WeakPolarHBondContact CA-O 3.42Å; L60-M83 HydrophobicContact CD2-CB 4.24Å; L60-F84 HydrophobicContact CD2-CB 3.88Å; L60-Y89 WeakPolarHBondContact CD1-OH 3.48Å; L60-Y89 HydrophobicContact CD2-CE2 4.47Å; L60-Y89 WeakPolarHBondContact CD2-OH 3.14Å; L60-Y89 WeakPolarHBondContact CG-OH 3.47Å
61	D	94.3	Very high	88.4	Confident	74 Å²	74	42.7 Å²	42.7	40%	0.396	26%	0.263	S	S	.	.			trans	-98	96.3	168.9	-174.7	-7.2	0	0	0	110.1	W63 S64 M83	D61-W63 PolarHBondContact O-N 2.88Å; D61-W63 PolarHBondContact OD1-N 2.88Å; D61-S64 PolarHBondContact O-OG 3.25Å; D61-S64 PolarHBondContact OD1-N 2.87Å; D61-S64 WeakPolarHBondContact OD2-CB 3.48Å; D61-M83 PolarHBondContact N-O 3.12Å
62	L	93.5	Very high	89.4	Confident	3 Å²	3	38.9 Å²	38.9	2%	0.016	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-13.8	179.1	-62.2	179.8	0	0	0	113.7	L44 V47 L50 T70 M83	L44-L62 HydrophobicContact CB-CD1 4.35Å; L44-L62 HydrophobicContact CD1-CD1 4.24Å; V47-L62 HydrophobicContact CG2-CD1 4.34Å; V47-L62 HydrophobicContact CG2-CG 4.26Å; L50-L62 HydrophobicContact CD1-CD1 4.39Å; L50-L62 HydrophobicContact CD1-CD2 4.45Å; L50-L62 HydrophobicContact CD2-CD1 4.25Å; L50-L62 HydrophobicContact CG-CD1 4.33Å; L62-T70 WeakPolarHBondContact O-CB 3.27Å; L62-T70 WeakPolarHBondContact O-CG2 3.2Å; L62-T70 PolarHBondContact O-OG1 2.79Å; L62-M83 HydrophobicContact CD2-CE 3.67Å
63	W	93.3	Very high	90.8	Very high	119 Å²	119	41.6 Å²	41.6	45%	0.451	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108	-6.2	-177.2	-57.2	-86.1	0	0	0	113.6	L44 E45 V47 D61 R65 N66	L44-W63 WeakPolarHBondContact O-CZ2 3.35Å; E45-W63 VanDerWaalsContact O-CH2 3.26Å; E45-W63 WeakPolarHBondContact O-CH2 3.28Å; E45-W63 VanDerWaalsContact O-CZ2 3.25Å; E45-W63 WeakPolarHBondContact O-CZ2 3.42Å; V47-W63 HydrophobicContact CG2-CZ3 4.24Å; D61-W63 PolarHBondContact O-N 2.88Å; D61-W63 PolarHBondContact OD1-N 2.88Å; W63-R65 PolarHBondContact O-N 2.94Å; W63-R65 VanDerWaalsContact O-N 3.12Å; W63-N66 PolarHBondContact O-OD1 2.89Å
64	S	94	Very high	92.3	Very high	44 Å²	44	39.8 Å²	39.8	31%	0.308	23%	0.228	S	C	.	.	S	Bend	trans	-55.1	-26.4	171.9	59.4	0	0	0	0	113.4	D61 G82 M83	D61-S64 PolarHBondContact O-OG 3.25Å; D61-S64 PolarHBondContact OD1-N 2.87Å; D61-S64 WeakPolarHBondContact OD2-CB 3.48Å; S64-G82 PolarHBondContact OG-O 2.78Å; S64-M83 WeakPolarHBondContact OG-CA 3.42Å; S64-M83 WeakPolarHBondContact OG-CG 3.45Å
65	R	95	Very high	93.1	Very high	8 Å²	8	43.4 Å²	43.4	3%	0.03	24%	0.243	C	C	.	.			trans	-119.8	85	-174.6	-67.2	-60.9	-58.7	-89.4	-1.9	111.9	W63 D67 V68 T70 W80 E81 M83 E305 D317 Q319	W63-R65 PolarHBondContact O-N 2.94Å; W63-R65 VanDerWaalsContact O-N 3.12Å; R65-D67 VanDerWaalsContact C-N 3.27Å; R65-D67 IonicContact CZ-OD1 3.5Å; R65-D67 IonicContact CZ-OD2 3.96Å; R65-D67 IonicContact NE-OD1 3.91Å; R65-D67 PolarHBondContact NE-OD1 3.42Å; R65-D67 IonicContact NE-OD2 2.69Å; R65-D67 IonicContact NH2-OD1 2.82Å; R65-D67 PolarHBondContact NH2-OD1 2.92Å; R65-D67 IonicContact NH2-OD2 3.87Å; R65-D67 PolarHBondContact NH2-OD2 2.85Å; R65-D67 PolarHBondContact O-N 2.92Å; R65-V68 HydrophobicContact CB-CG2 3.7Å; R65-V68 HydrophobicContact CG-CG2 4.43Å; R65-T70 HydrophobicContact CB-CG2 3.72Å; R65-W80 HydrophobicContact CG-CB 4.32Å; R65-E81 WeakPolarHBondContact CD-O 3.45Å; R65-E81 PolarHBondContact NH1-O 2.91Å; R65-M83 HydrophobicContact CG-CG 3.88Å; R65-E305 IonicContact NH1-OE1 3.45Å; R65-E305 PolarHBondContact NH1-OE1 2.95Å; R65-D317 PolarHBondContact NH2-O 3.27Å; R65-Q319 VanDerWaalsContact CZ-NE2 3.34Å
66	N	93.3	Very high	93.9	Very high	129 Å²	129	40.1 Å²	40.1	69%	0.69	22%	0.22	S	C	*	.	S	Bend	trans	-77.4	-9.8	179.6	-68.4	-43.3	0	0	0	114.1	K41 W63	K41-N66 PolarHBondContact NZ-O 3.06Å; W63-N66 PolarHBondContact O-OD1 2.89Å
67	D	94.6	Very high	94.5	Very high	70 Å²	70	40.1 Å²	40.1	37%	0.374	22%	0.22	S	C	.	.	S	Bend	trans	-87.1	-28.9	-177.7	55.6	-37.9	0	0	0	112.9	K41 R65 D317	K41-D67 PolarHBondContact NZ-O 3.1Å; K41-D67 VanDerWaalsContact NZ-O 3.16Å; R65-D67 VanDerWaalsContact C-N 3.27Å; R65-D67 IonicContact CZ-OD1 3.5Å; R65-D67 IonicContact CZ-OD2 3.96Å; R65-D67 IonicContact NE-OD1 3.91Å; R65-D67 PolarHBondContact NE-OD1 3.42Å; R65-D67 IonicContact NE-OD2 2.69Å; R65-D67 IonicContact NH2-OD1 2.82Å; R65-D67 PolarHBondContact NH2-OD1 2.92Å; R65-D67 IonicContact NH2-OD2 3.87Å; R65-D67 PolarHBondContact NH2-OD2 2.85Å; R65-D67 PolarHBondContact O-N 2.92Å; D67-D317 WeakPolarHBondContact OD2-CA 3.46Å
68	V	97	Very high	94.9	Very high	1 Å²	1	40 Å²	40	1%	0.006	22%	0.219	C	C	.	.	S	Bend	trans	-119.5	178.3	-173.9	-67.2	0	0	0	0	113.2	M39 K41 R65 T70 W80 D317	M39-V68 HydrophobicContact SD-CB 3.97Å; M39-V68 HydrophobicContact SD-CG1 4.04Å; K41-V68 PolarHBondContact NZ-O 2.91Å; K41-V68 VanDerWaalsContact NZ-O 3.16Å; R65-V68 HydrophobicContact CB-CG2 3.7Å; R65-V68 HydrophobicContact CG-CG2 4.43Å; V68-T70 HydrophobicContact CG2-CG2 4.38Å; V68-W80 HydrophobicContact CB-CD2 4.23Å; V68-W80 HydrophobicContact CB-CH2 4.25Å; V68-W80 HydrophobicContact CB-CZ2 3.83Å; V68-W80 HydrophobicContact CG1-CD2 4.34Å; V68-W80 HydrophobicContact CG1-CE3 4.25Å; V68-W80 HydrophobicContact CG1-CH2 3.72Å; V68-W80 HydrophobicContact CG1-CZ2 3.83Å; V68-W80 HydrophobicContact CG1-CZ3 3.93Å; V68-W80 HydrophobicContact CG2-CD2 3.76Å; V68-W80 HydrophobicContact CG2-CE3 4.3Å; V68-W80 HydrophobicContact CG2-CG 3.9Å; V68-W80 HydrophobicContact CG2-CZ2 4.28Å; V68-D317 HydrophobicContact CG1-CB 3.61Å
69	Q	97.4	Very high	95.4	Very high	13 Å²	13	35.5 Å²	35.5	6%	0.061	19%	0.188	C	C	.	.			trans	-86.6	123	167.4	-167.5	177.1	-6.8	0	0	109.8	M39 D40 C71 I78 W80	M39-Q69 HydrophobicContact CB-CB 4.12Å; M39-Q69 HydrophobicContact CE-CB 3.94Å; D40-Q69 HydrophobicContact CB-CG 4.41Å; D40-Q69 VanDerWaalsContact O-CA 3.29Å; D40-Q69 WeakPolarHBondContact O-CA 3.48Å; D40-Q69 WeakPolarHBondContact O-CB 3.4Å; D40-Q69 VanDerWaalsContact O-CG 3.31Å; D40-Q69 WeakPolarHBondContact O-CG 3.38Å; Q69-C71 VanDerWaalsContact CG-O 3.32Å; Q69-C71 WeakPolarHBondContact CG-O 3.49Å; Q69-C71 PolarHBondContact NE2-O 2.9Å; Q69-I78 HydrophobicContact CB-CD1 3.98Å; Q69-I78 HydrophobicContact CG-CD1 3.75Å; Q69-I78 WeakPolarHBondContact O-CD1 3.42Å; Q69-W80 PolarHBondContact O-NE1 3.26Å
70	T	97.2	Very high	95.8	Very high	4 Å²	4	33.5 Å²	33.5	3%	0.025	17%	0.174	C	C	.	.			trans	-104.1	-12.1	-176.7	53.6	0	0	0	0	114	C42 L62 R65 V68 I78 M83	C42-T70 WeakPolarHBondContact CB-OG1 3.43Å; L62-T70 WeakPolarHBondContact O-CB 3.27Å; L62-T70 WeakPolarHBondContact O-CG2 3.2Å; L62-T70 PolarHBondContact O-OG1 2.79Å; R65-T70 HydrophobicContact CB-CG2 3.72Å; V68-T70 HydrophobicContact CG2-CG2 4.38Å; T70-I78 PolarHBondContact O-N 3.2Å; T70-M83 HydrophobicContact CG2-CE 4.06Å; T70-M83 HydrophobicContact CG2-SD 3.71Å
71	C	96.4	Very high	96	Very high	2 Å²	2	36 Å²	36	1%	0.014	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-148.3	155.7	174.2	77.8	0	0	0	0	112.5	C42 L44 L50 Q69 A76	C42-C71 WeakPolarHBondContact CA-SG 3.43Å; C42-C71 HydrophobicContact CB-CB 3.94Å; C42-C71 WeakPolarHBondContact CB-SG 3.31Å; C42-C71 WeakPolarHBondContact SG-CB 3.22Å; C42-C71 CovalentContact SG-SG 2.03Å; C42-C71 PolarHBondContact SG-SG 3.33Å; L44-C71 HydrophobicContact CD1-CB 4.04Å; L50-C71 HydrophobicContact CD2-CB 4.39Å; Q69-C71 VanDerWaalsContact CG-O 3.32Å; Q69-C71 WeakPolarHBondContact CG-O 3.49Å; Q69-C71 PolarHBondContact NE2-O 2.9Å; C71-A76 CarbonylContact C-O 3.46Å; C71-A76 VanDerWaalsContact CA-O 3.3Å; C71-A76 WeakPolarHBondContact CA-O 3.46Å
72	T	97.1	Very high	96.2	Very high	4 Å²	4	34.4 Å²	34.4	3%	0.025	19%	0.187	C	C	.	.			trans	-89.7	166.3	-179.2	72.8	0	0	0	0	111.9	W74 K75 A76 I78 F246 V301	T72-W74 HydrophobicContact CG2-CD2 4.42Å; T72-W74 HydrophobicContact CG2-CH2 3.76Å; T72-W74 HydrophobicContact CG2-CZ2 3.51Å; T72-W74 HydrophobicContact CG2-CZ3 4.3Å; T72-W74 PolarHBondContact O-N 3.05Å; T72-W74 PolarHBondContact OG1-N 3.37Å; T72-W74 PolarHBondContact OG1-NE1 3.03Å; T72-K75 PolarHBondContact O-N 2.81Å; T72-K75 PolarHBondContact OG1-N 3.39Å; T72-A76 HydrophobicContact CG2-CB 4.2Å; T72-A76 PolarHBondContact N-O 2.75Å; T72-A76 PolarHBondContact OG1-N 3.31Å; T72-A76 PolarHBondContact OG1-O 3.21Å; T72-I78 HydrophobicContact CG2-CD1 4.18Å; T72-I78 HydrophobicContact CG2-CG1 3.88Å; T72-F246 HydrophobicContact CG2-CE2 3.86Å; T72-F246 HydrophobicContact CG2-CZ 4.39Å; T72-V301 HydrophobicContact CG2-CG2 3.97Å
73	S	95.4	Very high	96.3	Very high	100 Å²	100	34.4 Å²	34.4	70%	0.699	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-22.2	175.6	58.3	0	0	0	0	113.7	K75	S73-K75 VanDerWaalsContact C-N 3.33Å
74	W	95.9	Very high	96.5	Very high	41 Å²	41	29.5 Å²	29.5	16%	0.155	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	14.8	173.5	64.7	88.8	0	0	0	113.1	T51 T72 A76 D245 F246 Y248 K297 P298 V301	T51-W74 PolarHBondContact OG1-O 3.48Å; T72-W74 HydrophobicContact CG2-CD2 4.42Å; T72-W74 HydrophobicContact CG2-CH2 3.76Å; T72-W74 HydrophobicContact CG2-CZ2 3.51Å; T72-W74 HydrophobicContact CG2-CZ3 4.3Å; T72-W74 PolarHBondContact O-N 3.05Å; T72-W74 PolarHBondContact OG1-N 3.37Å; T72-W74 PolarHBondContact OG1-NE1 3.03Å; W74-A76 VanDerWaalsContact NE1-CB 3.27Å; W74-D245 HydrophobicContact CH2-CB 3.94Å; W74-D245 HydrophobicContact CZ3-CB 3.61Å; W74-F246 AromaticContact CH2-CD2 3.85Å; W74-F246 HydrophobicContact CH2-CD2 3.85Å; W74-F246 AromaticContact CH2-CE2 3.66Å; W74-F246 HydrophobicContact CH2-CE2 3.66Å; W74-F246 HydrophobicContact CZ3-CE2 4.16Å; W74-Y248 WeakPolarHBondContact CH2-OH 3.45Å; W74-K297 HydrophobicContact CB-CB 4.46Å; W74-K297 HydrophobicContact CB-CG 4.31Å; W74-K297 HydrophobicContact CD2-CB 3.82Å; W74-K297 HydrophobicContact CD2-CD 4.1Å; W74-K297 HydrophobicContact CD2-CG 3.96Å; W74-K297 HydrophobicContact CE3-CD 4.04Å; W74-K297 HydrophobicContact CE3-CG 4.34Å; W74-K297 HydrophobicContact CG-CB 3.73Å; W74-K297 HydrophobicContact CG-CG 3.96Å; W74-K297 HydrophobicContact CZ2-CB 4.48Å; W74-K297 HydrophobicContact CZ3-CD 4.33Å; W74-P298 HydrophobicContact CZ2-CG 3.89Å; W74-P298 PolarHBondContact NE1-O 2.89Å; W74-V301 HydrophobicContact CZ2-CG2 4.26Å
75	K	95.8	Very high	96.6	Very high	86 Å²	86	31 Å²	31	37%	0.374	18%	0.176	S	C	.	.	S	Bend	trans	67.7	30.1	172.9	-32	-174.6	-173.5	178.3	0	115.4	L44 M49 L50 T51 T72 S73	L44-K75 HydrophobicContact CD1-CB 4.13Å; L44-K75 HydrophobicContact CD2-CB 4.31Å; L44-K75 HydrophobicContact CD2-CD 4.04Å; L44-K75 HydrophobicContact CD2-CG 4Å; M49-K75 WeakPolarHBondContact O-CD 3.31Å; L50-K75 VanDerWaalsContact CA-O 3.31Å; L50-K75 WeakPolarHBondContact CA-O 3.37Å; L50-K75 VanDerWaalsContact CD2-O 3.24Å; L50-K75 WeakPolarHBondContact CD2-O 2.99Å; T51-K75 PolarHBondContact N-O 3.34Å; T51-K75 VanDerWaalsContact OG1-C 3.3Å; T51-K75 WeakPolarHBondContact OG1-CB 3.07Å; T51-K75 PolarHBondContact OG1-O 3.37Å; T51-K75 VanDerWaalsContact OG1-O 3.09Å; T72-K75 PolarHBondContact O-N 2.81Å; T72-K75 PolarHBondContact OG1-N 3.39Å; S73-K75 VanDerWaalsContact C-N 3.33Å
76	A	96.4	Very high	96.7	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.19	C	C	.	.			trans	-88	144.8	165.4	0	0	0	0	0	110.7	C71 T72 W74 P298 S299	C71-A76 CarbonylContact C-O 3.46Å; C71-A76 VanDerWaalsContact CA-O 3.3Å; C71-A76 WeakPolarHBondContact CA-O 3.46Å; T72-A76 HydrophobicContact CG2-CB 4.2Å; T72-A76 PolarHBondContact N-O 2.75Å; T72-A76 PolarHBondContact OG1-N 3.31Å; T72-A76 PolarHBondContact OG1-O 3.21Å; W74-A76 VanDerWaalsContact NE1-CB 3.27Å; A76-P298 WeakPolarHBondContact CB-O 3.39Å; A76-S299 WeakPolarHBondContact CB-O 3.05Å
77	P	97.2	Very high	96.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-73	143.3	173.3	31.3	-34.5	0	0	0	111.1	L50 L60 I79 S299 V301	L50-P77 HydrophobicContact CD1-CB 4.37Å; L50-P77 HydrophobicContact CD2-CB 4.4Å; L60-P77 HydrophobicContact CD1-CB 3.84Å; L60-P77 HydrophobicContact CD1-CG 4.19Å; P77-I79 HydrophobicContact CB-CD1 3.91Å; P77-I79 HydrophobicContact CG-CD1 4.07Å; P77-S299 WeakPolarHBondContact CD-O 3.19Å; P77-V301 PolarHBondContact O-N 2.9Å
78	I	98.2	Very high	96.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	113.3	164.1	-52.3	177.6	0	0	0	106.2	Q69 T70 T72 W80 M83 L217 F246 V301	Q69-I78 HydrophobicContact CB-CD1 3.98Å; Q69-I78 HydrophobicContact CG-CD1 3.75Å; Q69-I78 WeakPolarHBondContact O-CD1 3.42Å; T70-I78 PolarHBondContact O-N 3.2Å; T72-I78 HydrophobicContact CG2-CD1 4.18Å; T72-I78 HydrophobicContact CG2-CG1 3.88Å; I78-W80 VanDerWaalsContact CG2-NE1 3.28Å; I78-W80 VanDerWaalsContact O-CD1 3.26Å; I78-W80 PolarHBondContact O-N 2.67Å; I78-M83 WeakPolarHBondContact O-CE 3.48Å; I78-L217 HydrophobicContact CG2-CD1 3.99Å; I78-F246 HydrophobicContact CD1-CE1 4.42Å; I78-F246 HydrophobicContact CD1-CZ 3.9Å; I78-V301 CarbonylContact C-O 3.57Å; I78-V301 VanDerWaalsContact CA-O 3.27Å; I78-V301 WeakPolarHBondContact CA-O 3.38Å; I78-V301 HydrophobicContact CB-CB 4.47Å; I78-V301 HydrophobicContact CG1-CB 4.07Å; I78-V301 HydrophobicContact CG1-CG1 4.32Å; I78-V301 HydrophobicContact CG2-CB 4.41Å; I78-V301 HydrophobicContact CG2-CG1 4.16Å
79	I	98.2	Very high	96.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	113.5	-170.8	-53.3	-59.9	0	0	0	109.7	L60 P77 F84 E208 R300 V301 L302 S303 Y306	L60-I79 HydrophobicContact CD1-CD1 4.46Å; L60-I79 HydrophobicContact CD2-CD1 4.37Å; P77-I79 HydrophobicContact CB-CD1 3.91Å; P77-I79 HydrophobicContact CG-CD1 4.07Å; I79-F84 HydrophobicContact CG2-CD1 3.95Å; I79-F84 HydrophobicContact CG2-CE1 3.78Å; I79-E208 HydrophobicContact CG2-CB 4.49Å; I79-E208 HydrophobicContact CG2-CG 4.44Å; I79-R300 HydrophobicContact CD1-CG 4.39Å; I79-R300 HydrophobicContact CG1-CG 3.79Å; I79-V301 PolarHBondContact N-O 3.47Å; I79-L302 HydrophobicContact CB-CD2 4.22Å; I79-L302 HydrophobicContact CG1-CD2 4.27Å; I79-S303 WeakPolarHBondContact O-CB 3.29Å; I79-S303 PolarHBondContact O-N 2.5Å; I79-S303 VanDerWaalsContact O-N 3.14Å; I79-S303 PolarHBondContact O-OG 3.35Å; I79-S303 VanDerWaalsContact O-OG 3.11Å; I79-Y306 HydrophobicContact CB-CE2 4.31Å; I79-Y306 HydrophobicContact CG2-CE2 3.98Å; I79-Y306 WeakPolarHBondContact CG2-OH 3.46Å
80	W	98.6	Very high	97	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.182	C	C	.	.			trans	-118.6	154.6	172.6	-63.9	89.2	0	0	0	111	M39 R65 V68 Q69 I78 M83 F84 Y222 P304 E305 D317 I318	M39-W80 HydrophobicContact CE-CZ2 4.25Å; M39-W80 HydrophobicContact SD-CH2 4.5Å; M39-W80 HydrophobicContact SD-CZ2 4.12Å; R65-W80 HydrophobicContact CG-CB 4.32Å; V68-W80 HydrophobicContact CB-CD2 4.23Å; V68-W80 HydrophobicContact CB-CH2 4.25Å; V68-W80 HydrophobicContact CB-CZ2 3.83Å; V68-W80 HydrophobicContact CG1-CD2 4.34Å; V68-W80 HydrophobicContact CG1-CE3 4.25Å; V68-W80 HydrophobicContact CG1-CH2 3.72Å; V68-W80 HydrophobicContact CG1-CZ2 3.83Å; V68-W80 HydrophobicContact CG1-CZ3 3.93Å; V68-W80 HydrophobicContact CG2-CD2 3.76Å; V68-W80 HydrophobicContact CG2-CE3 4.3Å; V68-W80 HydrophobicContact CG2-CG 3.9Å; V68-W80 HydrophobicContact CG2-CZ2 4.28Å; Q69-W80 PolarHBondContact O-NE1 3.26Å; I78-W80 VanDerWaalsContact CG2-NE1 3.28Å; I78-W80 VanDerWaalsContact O-CD1 3.26Å; I78-W80 PolarHBondContact O-N 2.67Å; W80-M83 HydrophobicContact CB-CG 4.22Å; W80-M83 HydrophobicContact CB-SD 3.71Å; W80-M83 HydrophobicContact CG-SD 4.19Å; W80-M83 WeakPolarHBondContact O-CB 3.44Å; W80-M83 PolarHBondContact O-N 2.76Å; W80-F84 WeakPolarHBondContact O-CE1 3.39Å; W80-Y222 HydrophobicContact CH2-CD2 4.2Å; W80-Y222 HydrophobicContact CH2-CE2 4.06Å; W80-P304 HydrophobicContact CH2-CG 4.38Å; W80-E305 VanDerWaalsContact CA-OE2 3.31Å; W80-E305 WeakPolarHBondContact CA-OE2 3.16Å; W80-E305 HydrophobicContact CE3-CG 4.15Å; W80-E305 HydrophobicContact CZ3-CG 4.34Å; W80-D317 WeakPolarHBondContact CZ3-O 3.35Å; W80-I318 HydrophobicContact CH2-CD1 4.47Å; W80-I318 HydrophobicContact CZ3-CD1 3.96Å
81	E	98.3	Very high	96.9	Very high	58 Å²	58	34.6 Å²	34.6	27%	0.271	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	142	167.1	-174.6	57.3	-122.3	0	0	111	R65 E305 Q319 V320 R322	R65-E81 WeakPolarHBondContact CD-O 3.45Å; R65-E81 PolarHBondContact NH1-O 2.91Å; E81-E305 PolarHBondContact N-OE2 3.5Å; E81-Q319 HydrophobicContact CB-CB 4.25Å; E81-Q319 HydrophobicContact CG-CB 4.29Å; E81-V320 HydrophobicContact CB-CG1 3.69Å; E81-V320 HydrophobicContact CG-CB 4.39Å; E81-V320 HydrophobicContact CG-CG1 3.86Å; E81-R322 IonicContact OE2-CZ 3.52Å; E81-R322 IonicContact OE2-NH1 3.23Å; E81-R322 IonicContact OE2-NH2 3.68Å; E81-R322 PolarHBondContact OE2-NH2 2.96Å
82	G	96.9	Very high	96.9	Very high	41 Å²	41	35.9 Å²	35.9	42%	0.423	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.3	-16.6	-174.4	0	0	0	0	0	115.7	S64	S64-G82 PolarHBondContact OG-O 2.78Å
83	M	96.3	Very high	96.9	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.015	21%	0.206	C	C	.	.	S	Bend	trans	-83.6	-18.7	-176.6	-66.6	179.1	58.1	0	0	115	L60 D61 L62 S64 R65 T70 I78 W80	L60-M83 WeakPolarHBondContact CA-O 3.42Å; L60-M83 HydrophobicContact CD2-CB 4.24Å; D61-M83 PolarHBondContact N-O 3.12Å; L62-M83 HydrophobicContact CD2-CE 3.67Å; S64-M83 WeakPolarHBondContact OG-CA 3.42Å; S64-M83 WeakPolarHBondContact OG-CG 3.45Å; R65-M83 HydrophobicContact CG-CG 3.88Å; T70-M83 HydrophobicContact CG2-CE 4.06Å; T70-M83 HydrophobicContact CG2-SD 3.71Å; I78-M83 WeakPolarHBondContact O-CE 3.48Å; W80-M83 HydrophobicContact CB-CG 4.22Å; W80-M83 HydrophobicContact CB-SD 3.71Å; W80-M83 HydrophobicContact CG-SD 4.19Å; W80-M83 WeakPolarHBondContact O-CB 3.44Å; W80-M83 PolarHBondContact O-N 2.76Å
84	F	96.4	Very high	97	Very high	15 Å²	15	36.4 Å²	36.4	7%	0.066	19%	0.192	C	C	.	.	S	Bend	trans	-135.3	155.5	-170.3	60.3	-87.7	0	0	0	111.5	L60 I79 W80 P86 Y89 E208	L60-F84 HydrophobicContact CD2-CB 3.88Å; I79-F84 HydrophobicContact CG2-CD1 3.95Å; I79-F84 HydrophobicContact CG2-CE1 3.78Å; W80-F84 WeakPolarHBondContact O-CE1 3.39Å; F84-P86 HydrophobicContact CD2-CG 4.27Å; F84-P86 HydrophobicContact CE2-CG 3.98Å; F84-P86 WeakPolarHBondContact O-CD 3.38Å; F84-Y89 HydrophobicContact CB-CD2 3.95Å; F84-Y89 HydrophobicContact CB-CE2 3.52Å; F84-Y89 HydrophobicContact CD2-CD2 4.39Å; F84-Y89 HydrophobicContact CG-CE2 4.42Å; F84-E208 HydrophobicContact CD1-CB 4.23Å; F84-E208 HydrophobicContact CD1-CG 4.48Å; F84-E208 HydrophobicContact CD2-CB 3.63Å; F84-E208 HydrophobicContact CD2-CG 3.99Å; F84-E208 HydrophobicContact CE1-CB 4.23Å; F84-E208 HydrophobicContact CE1-CG 3.97Å; F84-E208 HydrophobicContact CE2-CB 3.63Å; F84-E208 VanDerWaalsContact CE2-CD 3.5Å; F84-E208 HydrophobicContact CE2-CG 3.41Å; F84-E208 VanDerWaalsContact CE2-CG 3.41Å; F84-E208 HydrophobicContact CG-CB 3.96Å; F84-E208 HydrophobicContact CG-CG 4.5Å; F84-E208 HydrophobicContact CZ-CB 3.96Å; F84-E208 HydrophobicContact CZ-CG 3.42Å; F84-E208 VanDerWaalsContact CZ-CG 3.42Å
85	T	97	Very high	97	Very high	77 Å²	77	40.2 Å²	40.2	47%	0.472	22%	0.216	S	C	.	.			trans	-95.5	111.8	170.7	-62.1	0	0	0	0	109.8	S87 H88 Y89	T85-S87 PolarHBondContact O-N 3.41Å; T85-H88 HydrophobicContact CG2-CB 4.23Å; T85-H88 WeakPolarHBondContact O-CB 3.28Å; T85-H88 PolarHBondContact O-N 3.18Å; T85-H88 VanDerWaalsContact O-N 3.1Å; T85-Y89 PolarHBondContact O-N 3.13Å
86	P	97	Very high	97	Very high	49 Å²	49	40.9 Å²	40.9	32%	0.318	22%	0.219	S	C	.	.	H	α-helix	trans	-53.8	-44.9	-174.2	-30.4	36.3	0	0	0	114.6	F84 H88 Y89 D90 R204	F84-P86 HydrophobicContact CD2-CG 4.27Å; F84-P86 HydrophobicContact CE2-CG 3.98Å; F84-P86 WeakPolarHBondContact O-CD 3.38Å; P86-H88 VanDerWaalsContact C-N 3.27Å; P86-H88 PolarHBondContact O-N 3.18Å; P86-Y89 PolarHBondContact O-N 3.36Å; P86-D90 VanDerWaalsContact O-CG 3.26Å; P86-D90 PolarHBondContact O-N 3.09Å; P86-R204 PolarHBondContact O-NH2 2.67Å
87	S	96.9	Very high	97	Very high	78 Å²	78	43.3 Å²	43.3	55%	0.545	24%	0.244	S	C	.	.	H	α-helix	trans	-65.4	-29.9	-178	56.8	0	0	0	0	113.1	T85 Q91	T85-S87 PolarHBondContact O-N 3.41Å; S87-Q91 WeakPolarHBondContact O-CB 3.24Å; S87-Q91 PolarHBondContact O-N 3.44Å
88	H	96.3	Very high	97.1	Very high	70 Å²	70	43.7 Å²	43.7	32%	0.324	25%	0.246	S	C	.	.	H	α-helix	trans	-69.6	-46.8	177.1	-176.1	76.6	0	0	0	111.2	S59 T85 P86 D90 Q91 I92	S59-H88 PolarHBondContact OG-CD2 2.61Å; T85-H88 HydrophobicContact CG2-CB 4.23Å; T85-H88 WeakPolarHBondContact O-CB 3.28Å; T85-H88 PolarHBondContact O-N 3.18Å; T85-H88 VanDerWaalsContact O-N 3.1Å; P86-H88 VanDerWaalsContact C-N 3.27Å; P86-H88 PolarHBondContact O-N 3.18Å; H88-D90 VanDerWaalsContact C-N 3.34Å; H88-D90 PolarHBondContact O-N 3.3Å; H88-Q91 PolarHBondContact O-N 3.34Å; H88-I92 WeakPolarHBondContact NE2-CD1 3.31Å; H88-I92 PolarHBondContact O-N 3.08Å
89	Y	96.9	Very high	97.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.6	-44.3	174	-87.6	-93.5	0	0	0	111.7	A56 D57 L60 F84 T85 P86 Q91 I92 H93 E208	A56-Y89 HydrophobicContact CB-CD1 3.58Å; A56-Y89 HydrophobicContact CB-CD2 4.36Å; A56-Y89 HydrophobicContact CB-CE1 3.46Å; A56-Y89 VanDerWaalsContact CB-CE1 3.46Å; A56-Y89 HydrophobicContact CB-CE2 4.25Å; A56-Y89 HydrophobicContact CB-CG 4.05Å; D57-Y89 PolarHBondContact OD1-OH 3.31Å; L60-Y89 WeakPolarHBondContact CD1-OH 3.48Å; L60-Y89 HydrophobicContact CD2-CE2 4.47Å; L60-Y89 WeakPolarHBondContact CD2-OH 3.14Å; L60-Y89 WeakPolarHBondContact CG-OH 3.47Å; F84-Y89 HydrophobicContact CB-CD2 3.95Å; F84-Y89 HydrophobicContact CB-CE2 3.52Å; F84-Y89 HydrophobicContact CD2-CD2 4.39Å; F84-Y89 HydrophobicContact CG-CE2 4.42Å; T85-Y89 PolarHBondContact O-N 3.13Å; P86-Y89 PolarHBondContact O-N 3.36Å; Y89-Q91 VanDerWaalsContact C-N 3.34Å; Y89-Q91 PolarHBondContact O-N 2.91Å; Y89-I92 PolarHBondContact O-N 2.74Å; Y89-H93 WeakPolarHBondContact O-CB 3.2Å; Y89-H93 PolarHBondContact O-CD2 3.19Å; Y89-H93 PolarHBondContact O-N 2.95Å; Y89-E208 VanDerWaalsContact CD1-CA 3.43Å; Y89-E208 HydrophobicContact CD1-CB 4.08Å; Y89-E208 HydrophobicContact CD2-CB 4.46Å; Y89-E208 HydrophobicContact CE1-CB 4.38Å; Y89-E208 HydrophobicContact CG-CB 4.11Å
90	D	97.7	Very high	97.1	Very high	17 Å²	17	44.7 Å²	44.7	9%	0.091	25%	0.254	C	S	.	.	H	α-helix	trans	-56.5	-47.8	175	-72.6	-20.9	0	0	0	111.5	P86 H88 R94 S129 R204 P207	P86-D90 VanDerWaalsContact O-CG 3.26Å; P86-D90 PolarHBondContact O-N 3.09Å; H88-D90 VanDerWaalsContact C-N 3.34Å; H88-D90 PolarHBondContact O-N 3.3Å; D90-R94 WeakPolarHBondContact O-CB 3.41Å; D90-R94 VanDerWaalsContact O-CG 3.28Å; D90-R94 WeakPolarHBondContact O-CG 3.36Å; D90-R94 PolarHBondContact O-N 3.12Å; D90-S129 VanDerWaalsContact CG-CB 3.47Å; D90-S129 VanDerWaalsContact CG-OG 3.28Å; D90-S129 VanDerWaalsContact OD1-CB 3.29Å; D90-S129 WeakPolarHBondContact OD1-CB 3.15Å; D90-S129 PolarHBondContact OD1-OG 3.49Å; D90-R204 VanDerWaalsContact CG-NH2 3.31Å; D90-R204 IonicContact OD1-CZ 3.14Å; D90-R204 IonicContact OD1-NH1 2.73Å; D90-R204 PolarHBondContact OD1-NH1 2.83Å; D90-R204 IonicContact OD1-NH2 3.52Å; D90-R204 PolarHBondContact OD1-NH2 2.98Å; D90-R204 IonicContact OD2-CZ 3.51Å; D90-R204 IonicContact OD2-NH1 3.41Å; D90-R204 PolarHBondContact OD2-NH1 2.84Å; D90-R204 IonicContact OD2-NH2 3.6Å; D90-R204 PolarHBondContact OD2-NH2 2.87Å; D90-P207 WeakPolarHBondContact OD1-CD 3.46Å; D90-P207 WeakPolarHBondContact OD1-CG 3.34Å
91	Q	97.1	Very high	97.1	Very high	85 Å²	85	44.7 Å²	44.7	40%	0.397	25%	0.254	S	S	.	.	H	α-helix	trans	-65.2	-45.1	-178.2	-170.2	60.6	35.7	0	0	112.4	S87 H88 Y89 R94 N95	S87-Q91 WeakPolarHBondContact O-CB 3.24Å; S87-Q91 PolarHBondContact O-N 3.44Å; H88-Q91 PolarHBondContact O-N 3.34Å; Y89-Q91 VanDerWaalsContact C-N 3.34Å; Y89-Q91 PolarHBondContact O-N 2.91Å; Q91-R94 PolarHBondContact O-N 3.44Å; Q91-N95 PolarHBondContact NE2-OD1 3Å; Q91-N95 WeakPolarHBondContact O-CB 3.4Å; Q91-N95 PolarHBondContact O-N 2.66Å; Q91-N95 PolarHBondContact O-OD1 3.47Å
92	I	95.8	Very high	97.2	Very high	29 Å²	29	42 Å²	42	15%	0.149	24%	0.241	C	C	.	.	H	α-helix	trans	-64.1	-45.9	-179.1	-74.2	177.9	0	0	0	111	S55 A56 H88 Y89 N95 K96	S55-I92 WeakPolarHBondContact OG-CG2 3.38Å; A56-I92 VanDerWaalsContact CA-CD1 3.45Å; A56-I92 HydrophobicContact CB-CB 4.19Å; A56-I92 HydrophobicContact CB-CD1 3.68Å; A56-I92 HydrophobicContact CB-CG2 4.03Å; H88-I92 WeakPolarHBondContact NE2-CD1 3.31Å; H88-I92 PolarHBondContact O-N 3.08Å; Y89-I92 PolarHBondContact O-N 2.74Å; I92-N95 PolarHBondContact O-N 2.72Å; I92-K96 HydrophobicContact CG2-CD 4.1Å; I92-K96 WeakPolarHBondContact O-CG 3.48Å; I92-K96 PolarHBondContact O-N 3.46Å
93	H	97	Very high	97.2	Very high	4 Å²	4	40 Å²	40	2%	0.019	22%	0.221	C	C	.	.	H	α-helix	trans	-70.6	-34	-178.6	-81.1	-80.8	0	0	0	112.7	N54 Y89 K96 G97 S98 L130 P207 L210	N54-H93 PolarHBondContact ND2-NE2 3.17Å; Y89-H93 WeakPolarHBondContact O-CB 3.2Å; Y89-H93 PolarHBondContact O-CD2 3.19Å; Y89-H93 PolarHBondContact O-N 2.95Å; H93-K96 PolarHBondContact O-N 3.4Å; H93-G97 PolarHBondContact O-N 3.17Å; H93-S98 PolarHBondContact ND1-OG 3.26Å; H93-S98 WeakPolarHBondContact O-CB 3.18Å; H93-S98 PolarHBondContact O-N 3.34Å; H93-S98 PolarHBondContact O-OG 3.22Å; H93-L130 HydrophobicContact CB-CD1 4.2Å; H93-L130 HydrophobicContact CB-CD2 3.91Å; H93-P207 HydrophobicContact CB-CB 3.86Å; H93-P207 HydrophobicContact CB-CG 4.33Å; H93-P207 VanDerWaalsContact CD2-CB 3.46Å; H93-P207 WeakPolarHBondContact CD2-CB 3.44Å; H93-L210 WeakPolarHBondContact ND1-CD1 3.33Å
94	R	96.8	Very high	97.3	Very high	112 Å²	112	39.9 Å²	39.9	42%	0.423	22%	0.22	S	C	.	.	H	α-helix	trans	-61.7	-47.6	169.2	-77.6	-169.9	-61.4	-108	-1.3	112	D90 Q91 K96 G97 S129 L130	D90-R94 WeakPolarHBondContact O-CB 3.41Å; D90-R94 VanDerWaalsContact O-CG 3.28Å; D90-R94 WeakPolarHBondContact O-CG 3.36Å; D90-R94 PolarHBondContact O-N 3.12Å; Q91-R94 PolarHBondContact O-N 3.44Å; R94-K96 PolarHBondContact O-N 2.82Å; R94-G97 PolarHBondContact O-N 3.28Å; R94-S129 WeakPolarHBondContact CG-O 3.38Å; R94-L130 HydrophobicContact CG-CD2 4.06Å
95	N	96.8	Very high	97.2	Very high	121 Å²	121	40.6 Å²	40.6	65%	0.647	22%	0.223	S	C	*	.	H	α-helix	trans	-62.3	-33.1	179.1	-72.5	-3.7	0	0	0	112.4	Q91 I92 G97	Q91-N95 PolarHBondContact NE2-OD1 3Å; Q91-N95 WeakPolarHBondContact O-CB 3.4Å; Q91-N95 PolarHBondContact O-N 2.66Å; Q91-N95 PolarHBondContact O-OD1 3.47Å; I92-N95 PolarHBondContact O-N 2.72Å; N95-G97 PolarHBondContact O-N 3.44Å
96	K	95.6	Very high	96.9	Very high	99 Å²	99	37 Å²	37	43%	0.43	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-10	173.8	-73.6	177.5	-179.2	174.9	0	113.9	N54 S55 I92 H93 R94 S98	N54-K96 PolarHBondContact OD1-NZ 2.78Å; S55-K96 WeakPolarHBondContact OG-CE 3.47Å; S55-K96 PolarHBondContact OG-NZ 2.98Å; I92-K96 HydrophobicContact CG2-CD 4.1Å; I92-K96 WeakPolarHBondContact O-CG 3.48Å; I92-K96 PolarHBondContact O-N 3.46Å; H93-K96 PolarHBondContact O-N 3.4Å; R94-K96 PolarHBondContact O-N 2.82Å; K96-S98 VanDerWaalsContact C-N 3.33Å
97	G	96.9	Very high	96.3	Very high	51 Å²	51	36 Å²	36	53%	0.526	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	34.6	-171.6	0	0	0	0	0	112.8	H93 R94 N95	H93-G97 PolarHBondContact O-N 3.17Å; R94-G97 PolarHBondContact O-N 3.28Å; N95-G97 PolarHBondContact O-N 3.44Å
98	S	97.9	Very high	95.7	Very high	8 Å²	8	33 Å²	33	6%	0.056	18%	0.176	C	C	.	.			trans	-65.9	135.3	177.2	-57.5	0	0	0	0	110.5	H93 K96 P131	H93-S98 PolarHBondContact ND1-OG 3.26Å; H93-S98 WeakPolarHBondContact O-CB 3.18Å; H93-S98 PolarHBondContact O-N 3.34Å; H93-S98 PolarHBondContact O-OG 3.22Å; K96-S98 VanDerWaalsContact C-N 3.33Å; S98-P131 WeakPolarHBondContact O-CD 3.26Å
99	S	98.4	Very high	95.1	Very high	20 Å²	20	35.2 Å²	35.2	14%	0.14	18%	0.181	C	C	.	.			trans	-134.8	149.1	172.6	56.1	0	0	0	0	110	H188 A189 T190 H191	S99-H188 PolarHBondContact OG-O 2.97Å; S99-H188 VanDerWaalsContact OG-O 3.09Å; S99-A189 VanDerWaalsContact OG-CA 3.31Å; S99-A189 WeakPolarHBondContact OG-CA 3.32Å; S99-T190 PolarHBondContact N-OG1 3.19Å; S99-T190 PolarHBondContact O-N 3.23Å; S99-T190 PolarHBondContact O-OG1 2.98Å; S99-T190 PolarHBondContact OG-N 3.43Å; S99-H191 PolarHBondContact O-N 3.25Å
100	V	98.8	Very high	94.4	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.012	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	129.4	-169.9	-171.7	0	0	0	0	110.8	F126 M127 L130 P131 V132 T133 H191 F193 L210	V100-F126 HydrophobicContact CG1-CE1 4Å; V100-F126 HydrophobicContact CG1-CZ 3.75Å; V100-M127 HydrophobicContact CB-CG 4.39Å; V100-M127 HydrophobicContact CG1-CG 4.43Å; V100-M127 HydrophobicContact CG2-CG 4.06Å; V100-M127 HydrophobicContact CG2-SD 4.24Å; V100-L130 HydrophobicContact CG2-CD1 4.02Å; V100-P131 PolarHBondContact N-O 2.85Å; V100-V132 HydrophobicContact CB-CG2 4.5Å; V100-V132 VanDerWaalsContact O-CA 3.26Å; V100-V132 WeakPolarHBondContact O-CA 3.49Å; V100-T133 PolarHBondContact O-N 2.7Å; V100-H191 WeakPolarHBondContact CA-O 3.45Å; V100-H191 HydrophobicContact CG2-CB 4.48Å; V100-F193 HydrophobicContact CG1-CD2 4.09Å; V100-L210 HydrophobicContact CG2-CD1 4.41Å; V100-L210 HydrophobicContact CG2-CD2 4.03Å
101	A	98.9	Very high	93.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	131	163.3	0	0	0	0	0	109.7	T133 Y135 I185 A189 H191 V192 F193	A101-T133 CarbonylContact C-O 3.55Å; A101-T133 VanDerWaalsContact CA-O 3.3Å; A101-T133 WeakPolarHBondContact CA-O 3.49Å; A101-Y135 HydrophobicContact CB-CD2 3.87Å; A101-Y135 HydrophobicContact CB-CE2 3.57Å; A101-I185 HydrophobicContact CB-CB 4.44Å; A101-I185 HydrophobicContact CB-CD1 3.87Å; A101-I185 HydrophobicContact CB-CG1 4.18Å; A101-I185 HydrophobicContact CB-CG2 3.44Å; A101-I185 VanDerWaalsContact CB-CG2 3.44Å; A101-A189 HydrophobicContact CB-CB 3.81Å; A101-H191 PolarHBondContact N-O 2.83Å; A101-V192 HydrophobicContact CB-CG1 4.4Å; A101-V192 HydrophobicContact CB-CG2 4.34Å; A101-V192 CarbonylContact O-C 3.57Å; A101-V192 VanDerWaalsContact O-CA 3.3Å; A101-V192 WeakPolarHBondContact O-CA 3.29Å; A101-F193 PolarHBondContact O-N 2.87Å
102	L	98.8	Very high	93.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	120.5	170.3	-172.2	155.7	0	0	0	108.2	V104 F118 F126 T133 Y134 Y135 F193 F195	L102-V104 HydrophobicContact CD2-CB 3.94Å; L102-V104 HydrophobicContact CD2-CG1 4.08Å; L102-F118 HydrophobicContact CD1-CE1 4.35Å; L102-F118 HydrophobicContact CD1-CZ 4.3Å; L102-F118 HydrophobicContact CD2-CE1 3.72Å; L102-F118 HydrophobicContact CD2-CZ 3.98Å; L102-F126 HydrophobicContact CB-CE1 3.94Å; L102-F126 HydrophobicContact CB-CZ 4.36Å; L102-F126 HydrophobicContact CD1-CD1 3.69Å; L102-F126 HydrophobicContact CD1-CD2 4.3Å; L102-F126 HydrophobicContact CD1-CE1 3.66Å; L102-F126 HydrophobicContact CD1-CE2 4.26Å; L102-F126 HydrophobicContact CD1-CG 4.02Å; L102-F126 HydrophobicContact CD1-CZ 3.94Å; L102-F126 HydrophobicContact CG-CE1 4.3Å; L102-F126 HydrophobicContact CG-CZ 4.47Å; L102-T133 PolarHBondContact N-O 3.02Å; L102-Y134 HydrophobicContact CB-CD1 4Å; L102-Y134 HydrophobicContact CB-CE1 4.44Å; L102-Y134 HydrophobicContact CD1-CD1 4.23Å; L102-Y134 HydrophobicContact CD1-CE1 4.06Å; L102-Y134 HydrophobicContact CD2-CD1 4.11Å; L102-Y134 HydrophobicContact CG-CD1 4.32Å; L102-Y134 CarbonylContact O-C 3.15Å; L102-Y134 WeakPolarHBondContact O-CA 3.48Å; L102-Y135 PolarHBondContact O-N 3.3Å; L102-F193 CarbonylContact C-O 3.49Å; L102-F193 WeakPolarHBondContact CA-O 3.46Å; L102-F195 HydrophobicContact CD1-CD2 3.82Å; L102-F195 HydrophobicContact CD1-CE2 3.66Å; L102-F195 HydrophobicContact CD2-CD2 4.08Å; L102-F195 HydrophobicContact CG-CD2 3.66Å; L102-F195 HydrophobicContact CG-CE2 3.84Å
103	T	98.6	Very high	92.9	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.006	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	136	171.7	66.9	0	0	0	0	110.1	Y135 F137 I185 V192 F193 C194 F195	T103-Y135 WeakPolarHBondContact CA-O 3.35Å; T103-F137 HydrophobicContact CG2-CE2 4Å; T103-I185 HydrophobicContact CG2-CD1 3.96Å; T103-V192 HydrophobicContact CG2-CG1 3.99Å; T103-F193 PolarHBondContact N-O 2.87Å; T103-F193 PolarHBondContact OG1-O 2.76Å; T103-C194 WeakPolarHBondContact OG1-CA 3.16Å; T103-C194 VanDerWaalsContact OG1-CB 3.29Å; T103-C194 WeakPolarHBondContact OG1-CB 3.28Å; T103-C194 PolarHBondContact OG1-SG 3.04Å; T103-F195 PolarHBondContact O-N 2.95Å
104	V	97.3	Very high	92.7	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	136.2	177.8	62.1	0	0	0	0	110.2	L102 L115 F118 Y135 V136 F137 V197	L102-V104 HydrophobicContact CD2-CB 3.94Å; L102-V104 HydrophobicContact CD2-CG1 4.08Å; V104-L115 HydrophobicContact CG1-CD1 4.31Å; V104-F118 HydrophobicContact CB-CE1 4.01Å; V104-F118 HydrophobicContact CB-CZ 4.39Å; V104-F118 HydrophobicContact CG1-CE1 4.18Å; V104-F118 HydrophobicContact CG2-CD1 4.12Å; V104-F118 HydrophobicContact CG2-CE1 3.89Å; V104-F118 HydrophobicContact CG2-CZ 4.15Å; V104-Y135 PolarHBondContact N-O 3.38Å; V104-V136 HydrophobicContact CG1-CG2 4.01Å; V104-F137 PolarHBondContact O-N 3Å; V104-V197 HydrophobicContact CG2-CB 3.56Å; V104-V197 HydrophobicContact CG2-CG2 3.8Å
105	F	93.9	Very high	92.7	Very high	30 Å²	30	34.7 Å²	34.7	13%	0.132	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	123.5	179.3	-76.1	-107.9	0	0	0	110.3	F137 R173 A176 I177 V197	F105-F137 HydrophobicContact CD1-CB 3.51Å; F105-F137 HydrophobicContact CD1-CG 4.11Å; F105-F137 HydrophobicContact CD2-CB 4.15Å; F105-F137 HydrophobicContact CD2-CD2 4.02Å; F105-F137 HydrophobicContact CD2-CG 4.22Å; F105-F137 HydrophobicContact CE1-CB 3.53Å; F105-F137 AromaticContact CE1-CD1 3.87Å; F105-F137 HydrophobicContact CE1-CD1 3.87Å; F105-F137 HydrophobicContact CE1-CD2 4.35Å; F105-F137 AromaticContact CE1-CG 3.68Å; F105-F137 HydrophobicContact CE1-CG 3.68Å; F105-F137 HydrophobicContact CE2-CB 4.14Å; F105-F137 HydrophobicContact CE2-CD1 4.33Å; F105-F137 AromaticContact CE2-CD2 3.57Å; F105-F137 HydrophobicContact CE2-CD2 3.57Å; F105-F137 AromaticContact CE2-CE2 3.95Å; F105-F137 HydrophobicContact CE2-CE2 3.95Å; F105-F137 AromaticContact CE2-CG 3.77Å; F105-F137 HydrophobicContact CE2-CG 3.77Å; F105-F137 HydrophobicContact CE2-CZ 4.42Å; F105-F137 HydrophobicContact CG-CB 3.83Å; F105-F137 HydrophobicContact CG-CG 4.37Å; F105-F137 HydrophobicContact CZ-CB 3.85Å; F105-F137 AromaticContact CZ-CD1 3.65Å; F105-F137 HydrophobicContact CZ-CD1 3.65Å; F105-F137 AromaticContact CZ-CD2 3.76Å; F105-F137 HydrophobicContact CZ-CD2 3.76Å; F105-F137 HydrophobicContact CZ-CE1 4.02Å; F105-F137 HydrophobicContact CZ-CE2 4.15Å; F105-F137 AromaticContact CZ-CG 3.48Å; F105-F137 HydrophobicContact CZ-CG 3.48Å; F105-F137 VanDerWaalsContact CZ-CG 3.48Å; F105-F137 HydrophobicContact CZ-CZ 4.22Å; F105-R173 HydrophobicContact CD1-CG 4.09Å; F105-R173 HydrophobicContact CD2-CG 3.48Å; F105-R173 VanDerWaalsContact CD2-CG 3.48Å; F105-R173 HydrophobicContact CE1-CB 4.27Å; F105-R173 HydrophobicContact CE1-CG 3.96Å; F105-R173 HydrophobicContact CE2-CB 4.41Å; F105-R173 HydrophobicContact CE2-CG 3.35Å; F105-R173 HydrophobicContact CG-CG 3.87Å; F105-R173 HydrophobicContact CZ-CB 4.19Å; F105-R173 HydrophobicContact CZ-CG 3.6Å; F105-A176 HydrophobicContact CE1-CB 4.19Å; F105-A176 HydrophobicContact CZ-CB 3.97Å; F105-I177 HydrophobicContact CE2-CD1 3.85Å; F105-I177 HydrophobicContact CE2-CG1 3.65Å; F105-I177 HydrophobicContact CZ-CD1 4.47Å; F105-I177 HydrophobicContact CZ-CG1 4Å; F105-V197 WeakPolarHBondContact O-CB 3.31Å; F105-V197 VanDerWaalsContact O-CG1 3.27Å; F105-V197 WeakPolarHBondContact O-CG1 3.29Å
106	A	90.8	Very high	92.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.185	C	C	.	.			trans	-133.1	83.4	-179.1	0	0	0	0	0	108.6	L111 L115 F137 T138 V197	A106-L111 HydrophobicContact CB-CB 4.24Å; A106-L115 HydrophobicContact CB-CB 4.15Å; A106-L115 HydrophobicContact CB-CD1 3.99Å; A106-L115 HydrophobicContact CB-CD2 4Å; A106-L115 HydrophobicContact CB-CG 4.27Å; A106-F137 PolarHBondContact N-O 3.2Å; A106-T138 WeakPolarHBondContact O-CA 3.36Å; A106-T138 VanDerWaalsContact O-CB 3.26Å; A106-T138 WeakPolarHBondContact O-CB 3.45Å; A106-T138 PolarHBondContact O-OG1 3.04Å; A106-T138 VanDerWaalsContact O-OG1 3.1Å; A106-V197 HydrophobicContact CB-CG2 4.17Å
107	V	85.3	Confident	92.7	Very high	30 Å²	30	33.2 Å²	33.2	18%	0.182	19%	0.187	C	C	.	.			trans	-109.7	136	-173.9	175.7	0	0	0	0	110.6	Y110 D139 V160 R162	V107-Y110 PolarHBondContact O-N 2.91Å; V107-D139 VanDerWaalsContact CA-OD1 3.26Å; V107-D139 WeakPolarHBondContact CA-OD1 3.41Å; V107-D139 HydrophobicContact CG1-CB 4.3Å; V107-V160 HydrophobicContact CG2-CG2 3.95Å; V107-R162 HydrophobicContact CG1-CB 4.33Å; V107-R162 HydrophobicContact CG1-CG 3.92Å
108	G	85.1	Confident	92.8	Very high	15 Å²	15	30.8 Å²	30.8	16%	0.155	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	-136.5	-176.1	0	0	0	0	0	112.1	Y110 L111 D139	G108-Y110 PolarHBondContact O-N 3.25Å; G108-L111 WeakPolarHBondContact O-CB 3.46Å; G108-L111 PolarHBondContact O-N 3.03Å; G108-D139 PolarHBondContact N-OD1 3.44Å
109	R	83.4	Confident	92.8	Very high	115 Å²	115	30.4 Å²	30.4	43%	0.434	16%	0.159	S	C	.	.	H	α-helix	trans	-64.2	-15.2	-174.8	-60.6	-176.3	65.8	171.5	4.7	114.4	L111 A113 N332 L333	R109-L111 PolarHBondContact O-N 2.92Å; R109-A113 VanDerWaalsContact O-CB 3.27Å; R109-A113 WeakPolarHBondContact O-CB 3.17Å; R109-A113 PolarHBondContact O-N 2.78Å; R109-N332 VanDerWaalsContact CD-O 3.3Å; R109-N332 WeakPolarHBondContact CD-O 3.5Å; R109-N332 PolarHBondContact NE-O 2.85Å; R109-N332 PolarHBondContact NH1-O 2.67Å; R109-L333 HydrophobicContact CB-CD2 3.65Å
110	Y	82	Confident	92.8	Very high	43 Å²	43	32.4 Å²	32.4	17%	0.169	17%	0.169	C	C	.	.	H	α-helix	trans	-67.2	-26.2	175	-78.2	-101.1	0	0	0	112.2	V107 G108 Y114 V197 D198 L333 R334	V107-Y110 PolarHBondContact O-N 2.91Å; G108-Y110 PolarHBondContact O-N 3.25Å; Y110-Y114 AromaticContact CD1-CD2 3.63Å; Y110-Y114 HydrophobicContact CD1-CD2 3.63Å; Y110-Y114 AromaticContact CD1-CE2 3.56Å; Y110-Y114 HydrophobicContact CD1-CE2 3.56Å; Y110-Y114 HydrophobicContact CE1-CD2 4.34Å; Y110-Y114 AromaticContact CE1-CE2 3.84Å; Y110-Y114 HydrophobicContact CE1-CE2 3.84Å; Y110-Y114 HydrophobicContact CG-CD2 4.3Å; Y110-Y114 HydrophobicContact CG-CE2 4.36Å; Y110-Y114 PolarHBondContact O-N 3.01Å; Y110-Y114 VanDerWaalsContact O-N 3.13Å; Y110-V197 HydrophobicContact CD1-CG1 4.12Å; Y110-D198 HydrophobicContact CE1-CB 4.5Å; Y110-L333 HydrophobicContact CD2-CB 4.22Å; Y110-L333 HydrophobicContact CE2-CB 3.81Å; Y110-L333 WeakPolarHBondContact CE2-O 3.36Å; Y110-R334 HydrophobicContact CE2-CG 4.27Å; Y110-R334 WeakPolarHBondContact OH-CG 3.36Å; Y110-R334 PolarHBondContact OH-NE 3.11Å
111	L	84.8	Confident	92.8	Very high	7 Å²	7	32.8 Å²	32.8	4%	0.037	17%	0.171	C	C	.	.	I	π-helix	trans	-60.9	-59.4	175.3	-174.5	148.1	0	0	0	110.9	A106 G108 R109 A113 L115 T138 L143 V144	A106-L111 HydrophobicContact CB-CB 4.24Å; G108-L111 WeakPolarHBondContact O-CB 3.46Å; G108-L111 PolarHBondContact O-N 3.03Å; R109-L111 PolarHBondContact O-N 2.92Å; L111-A113 VanDerWaalsContact C-N 3.29Å; L111-A113 PolarHBondContact O-N 3.36Å; L111-L115 HydrophobicContact CD1-CD2 4.26Å; L111-L115 HydrophobicContact CG-CD2 3.94Å; L111-L115 WeakPolarHBondContact O-CB 3.38Å; L111-L115 PolarHBondContact O-N 3.25Å; L111-L115 VanDerWaalsContact O-N 3.09Å; L111-T138 HydrophobicContact CD1-CG2 4.37Å; L111-T138 WeakPolarHBondContact CD1-OG1 3.32Å; L111-L143 HydrophobicContact CD1-CB 4.25Å; L111-L143 HydrophobicContact CD2-CB 3.54Å; L111-V144 HydrophobicContact CD1-CG2 4.41Å
112	D	85.5	Confident	92.7	Very high	122 Å²	122	32.8 Å²	32.8	65%	0.652	17%	0.171	S	C	*	.	I	π-helix	trans	-65	-35	-178.4	-59.6	-34.7	0	0	0	112.2
113	A	87.6	Confident	92.7	Very high	43 Å²	43	34.1 Å²	34.1	36%	0.355	18%	0.178	S	C	.	.	I	π-helix	trans	-74.3	-35.3	-174.2	0	0	0	0	0	113.5	R109 L111 L333	R109-A113 VanDerWaalsContact O-CB 3.27Å; R109-A113 WeakPolarHBondContact O-CB 3.17Å; R109-A113 PolarHBondContact O-N 2.78Å; L111-A113 VanDerWaalsContact C-N 3.29Å; L111-A113 PolarHBondContact O-N 3.36Å; A113-L333 HydrophobicContact CB-CD1 4.01Å; A113-L333 HydrophobicContact CB-CD2 3.83Å
114	Y	93.6	Very high	92.6	Very high	22 Å²	22	40.7 Å²	40.7	9%	0.086	21%	0.208	C	C	.	.	I	π-helix	trans	-132.9	-28.6	-164.7	-55.9	-60.4	0	0	0	115.3	Y110 E116 T117 F118 V197 D198 A326 P327 D329 L333	Y110-Y114 AromaticContact CD1-CD2 3.63Å; Y110-Y114 HydrophobicContact CD1-CD2 3.63Å; Y110-Y114 AromaticContact CD1-CE2 3.56Å; Y110-Y114 HydrophobicContact CD1-CE2 3.56Å; Y110-Y114 HydrophobicContact CE1-CD2 4.34Å; Y110-Y114 AromaticContact CE1-CE2 3.84Å; Y110-Y114 HydrophobicContact CE1-CE2 3.84Å; Y110-Y114 HydrophobicContact CG-CD2 4.3Å; Y110-Y114 HydrophobicContact CG-CE2 4.36Å; Y110-Y114 PolarHBondContact O-N 3.01Å; Y110-Y114 VanDerWaalsContact O-N 3.13Å; Y114-E116 PolarHBondContact O-N 3.49Å; Y114-T117 PolarHBondContact O-N 2.85Å; Y114-F118 WeakPolarHBondContact O-CB 3.47Å; Y114-F118 PolarHBondContact O-N 3.07Å; Y114-V197 WeakPolarHBondContact CB-O 3.36Å; Y114-V197 HydrophobicContact CD2-CG1 4.33Å; Y114-D198 HydrophobicContact CD1-CB 4.33Å; Y114-D198 HydrophobicContact CD2-CB 3.74Å; Y114-D198 HydrophobicContact CE1-CB 4.34Å; Y114-D198 HydrophobicContact CE2-CB 3.71Å; Y114-D198 HydrophobicContact CG-CB 4.04Å; Y114-A326 HydrophobicContact CD1-CB 3.8Å; Y114-A326 HydrophobicContact CE1-CB 3.72Å; Y114-P327 PolarHBondContact OH-O 3.41Å; Y114-D329 PolarHBondContact OH-N 3.07Å; Y114-L333 HydrophobicContact CD2-CD1 4.44Å; Y114-L333 HydrophobicContact CE2-CD1 3.33Å; Y114-L333 VanDerWaalsContact CZ-CD1 3.43Å; Y114-L333 WeakPolarHBondContact OH-CD1 3.49Å
115	L	96.2	Very high	92.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.218	C	C	.	.	I	π-helix	trans	-61.8	-45.1	-166.3	-178.3	61.9	0	0	0	112.8	V104 A106 L111 T117 F118 L119 V136 V144 P145 V197	V104-L115 HydrophobicContact CG1-CD1 4.31Å; A106-L115 HydrophobicContact CB-CB 4.15Å; A106-L115 HydrophobicContact CB-CD1 3.99Å; A106-L115 HydrophobicContact CB-CD2 4Å; A106-L115 HydrophobicContact CB-CG 4.27Å; L111-L115 HydrophobicContact CD1-CD2 4.26Å; L111-L115 HydrophobicContact CG-CD2 3.94Å; L111-L115 WeakPolarHBondContact O-CB 3.38Å; L111-L115 PolarHBondContact O-N 3.25Å; L111-L115 VanDerWaalsContact O-N 3.09Å; L115-T117 PolarHBondContact O-N 3.14Å; L115-F118 PolarHBondContact O-N 3.09Å; L115-L119 HydrophobicContact CD1-CD1 3.73Å; L115-L119 HydrophobicContact CD1-CD2 4.44Å; L115-L119 HydrophobicContact CD1-CG 3.86Å; L115-L119 HydrophobicContact CD2-CD1 4.44Å; L115-L119 HydrophobicContact CG-CD1 3.76Å; L115-L119 HydrophobicContact CG-CG 4.28Å; L115-L119 WeakPolarHBondContact O-CB 3.39Å; L115-L119 VanDerWaalsContact O-CG 3.28Å; L115-L119 WeakPolarHBondContact O-CG 3.3Å; L115-L119 PolarHBondContact O-N 3.05Å; L115-V136 HydrophobicContact CD1-CG1 3.97Å; L115-V136 HydrophobicContact CD1-CG2 4.31Å; L115-V136 HydrophobicContact CD2-CG1 3.75Å; L115-V144 HydrophobicContact CD2-CG1 4.29Å; L115-V144 HydrophobicContact CD2-CG2 4.32Å; L115-P145 HydrophobicContact CD2-CG 4.44Å; L115-P145 HydrophobicContact CG-CG 4.34Å; L115-V197 HydrophobicContact CB-CG2 4.2Å; L115-V197 HydrophobicContact CD1-CG2 4.09Å
116	E	96.5	Very high	92.9	Very high	112 Å²	112	41.3 Å²	41.3	52%	0.523	21%	0.211	S	C	.	.	H	α-helix	trans	-62.1	-44.5	179.8	-176.9	174	-165	0	0	111.9	Y114 L119 N120 P145	Y114-E116 PolarHBondContact O-N 3.49Å; E116-L119 PolarHBondContact O-N 2.88Å; E116-N120 WeakPolarHBondContact CG-ND2 3.35Å; E116-N120 WeakPolarHBondContact O-CB 3.38Å; E116-N120 PolarHBondContact O-N 2.93Å; E116-N120 PolarHBondContact O-ND2 2.79Å; E116-N120 VanDerWaalsContact O-ND2 3.16Å; E116-P145 HydrophobicContact CB-CB 4.18Å; E116-P145 HydrophobicContact CB-CG 3.94Å; E116-P145 HydrophobicContact CG-CB 4.25Å; E116-P145 HydrophobicContact CG-CG 4.41Å
117	T	96.8	Very high	93.3	Very high	76 Å²	76	41.3 Å²	41.3	47%	0.466	21%	0.211	S	C	.	.	H	α-helix	trans	-66.4	-43.3	179.3	-60.4	0	0	0	0	111	Y114 L115 S121 V200	Y114-T117 PolarHBondContact O-N 2.85Å; L115-T117 PolarHBondContact O-N 3.14Å; T117-S121 VanDerWaalsContact O-CB 3.31Å; T117-S121 WeakPolarHBondContact O-CB 3.33Å; T117-S121 PolarHBondContact O-N 3.21Å; T117-S121 PolarHBondContact O-OG 3Å; T117-V200 HydrophobicContact CG2-CG1 4.06Å; T117-V200 HydrophobicContact CG2-CG2 3.73Å
118	F	98.1	Very high	93.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-58.8	-51.3	176.2	178.6	-87.5	0	0	0	110.9	L102 V104 Y114 L115 S121 S122 F195 V197 Q199 F201	L102-F118 HydrophobicContact CD1-CE1 4.35Å; L102-F118 HydrophobicContact CD1-CZ 4.3Å; L102-F118 HydrophobicContact CD2-CE1 3.72Å; L102-F118 HydrophobicContact CD2-CZ 3.98Å; V104-F118 HydrophobicContact CB-CE1 4.01Å; V104-F118 HydrophobicContact CB-CZ 4.39Å; V104-F118 HydrophobicContact CG1-CE1 4.18Å; V104-F118 HydrophobicContact CG2-CD1 4.12Å; V104-F118 HydrophobicContact CG2-CE1 3.89Å; V104-F118 HydrophobicContact CG2-CZ 4.15Å; Y114-F118 WeakPolarHBondContact O-CB 3.47Å; Y114-F118 PolarHBondContact O-N 3.07Å; L115-F118 PolarHBondContact O-N 3.09Å; F118-S121 PolarHBondContact O-N 3.12Å; F118-S121 PolarHBondContact O-OG 3.35Å; F118-S122 VanDerWaalsContact O-CB 3.31Å; F118-S122 WeakPolarHBondContact O-CB 3.26Å; F118-S122 PolarHBondContact O-N 3.33Å; F118-S122 PolarHBondContact O-OG 2.99Å; F118-F195 HydrophobicContact CE2-CB 3.93Å; F118-F195 HydrophobicContact CE2-CD1 4.37Å; F118-F195 HydrophobicContact CE2-CG 4.29Å; F118-F195 HydrophobicContact CZ-CB 3.65Å; F118-F195 HydrophobicContact CZ-CD1 4.36Å; F118-F195 HydrophobicContact CZ-CD2 4.4Å; F118-F195 AromaticContact CZ-CG 3.93Å; F118-F195 HydrophobicContact CZ-CG 3.93Å; F118-V197 HydrophobicContact CB-CG2 4.19Å; F118-V197 HydrophobicContact CG-CG2 4.4Å; F118-Q199 HydrophobicContact CD2-CB 4.44Å; F118-Q199 WeakPolarHBondContact CD2-O 3.45Å; F118-F201 HydrophobicContact CD2-CE2 4.28Å; F118-F201 HydrophobicContact CE1-CE2 4.41Å; F118-F201 AromaticContact CE2-CE2 3.7Å; F118-F201 HydrophobicContact CE2-CE2 3.7Å; F118-F201 HydrophobicContact CE2-CZ 4.47Å; F118-F201 AromaticContact CZ-CE2 3.76Å; F118-F201 HydrophobicContact CZ-CE2 3.76Å; F118-F201 HydrophobicContact CZ-CZ 4.37Å
119	L	98.3	Very high	94.4	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-66	-47.6	-176.9	-69.7	171.9	0	0	0	112.2	L115 E116 S121 S122 E123 Y134 V136 P145 I147 L155	L115-L119 HydrophobicContact CD1-CD1 3.73Å; L115-L119 HydrophobicContact CD1-CD2 4.44Å; L115-L119 HydrophobicContact CD1-CG 3.86Å; L115-L119 HydrophobicContact CD2-CD1 4.44Å; L115-L119 HydrophobicContact CG-CD1 3.76Å; L115-L119 HydrophobicContact CG-CG 4.28Å; L115-L119 WeakPolarHBondContact O-CB 3.39Å; L115-L119 VanDerWaalsContact O-CG 3.28Å; L115-L119 WeakPolarHBondContact O-CG 3.3Å; L115-L119 PolarHBondContact O-N 3.05Å; E116-L119 PolarHBondContact O-N 2.88Å; L119-S121 VanDerWaalsContact C-N 3.33Å; L119-S121 PolarHBondContact O-N 2.84Å; L119-S122 WeakPolarHBondContact CA-OG 3.17Å; L119-S122 PolarHBondContact O-N 2.96Å; L119-S122 PolarHBondContact O-OG 3.45Å; L119-E123 PolarHBondContact O-N 2.69Å; L119-Y134 HydrophobicContact CD2-CD1 4Å; L119-Y134 HydrophobicContact CD2-CE1 4.45Å; L119-Y134 HydrophobicContact CD2-CG 4.3Å; L119-V136 HydrophobicContact CD1-CG2 4.44Å; L119-V136 HydrophobicContact CD2-CG2 4.27Å; L119-P145 HydrophobicContact CD1-CG 4.13Å; L119-I147 HydrophobicContact CB-CD1 3.51Å; L119-I147 HydrophobicContact CB-CG2 4.48Å; L119-I147 HydrophobicContact CD1-CD1 4.01Å; L119-I147 HydrophobicContact CD2-CD1 4.4Å; L119-I147 HydrophobicContact CG-CD1 4.18Å; L119-L155 HydrophobicContact CD1-CD1 3.9Å; L119-L155 HydrophobicContact CD2-CD1 4.3Å
120	N	98	Very high	95.1	Very high	62 Å²	62	39 Å²	39	33%	0.332	21%	0.211	S	C	.	.	H	α-helix	trans	-61.5	-40.6	178.9	-79.2	-41.5	0	0	0	112.3	E116	E116-N120 WeakPolarHBondContact CG-ND2 3.35Å; E116-N120 WeakPolarHBondContact O-CB 3.38Å; E116-N120 PolarHBondContact O-N 2.93Å; E116-N120 PolarHBondContact O-ND2 2.79Å; E116-N120 VanDerWaalsContact O-ND2 3.16Å
121	S	98.4	Very high	95.9	Very high	10 Å²	10	39.8 Å²	39.8	7%	0.07	22%	0.221	C	C	.	.	H	α-helix	trans	-69.7	-37.4	176.1	62.6	0	0	0	0	112.1	T117 F118 L119 E123 Q124 H125 F201	T117-S121 VanDerWaalsContact O-CB 3.31Å; T117-S121 WeakPolarHBondContact O-CB 3.33Å; T117-S121 PolarHBondContact O-N 3.21Å; T117-S121 PolarHBondContact O-OG 3Å; F118-S121 PolarHBondContact O-N 3.12Å; F118-S121 PolarHBondContact O-OG 3.35Å; L119-S121 VanDerWaalsContact C-N 3.33Å; L119-S121 PolarHBondContact O-N 2.84Å; S121-E123 PolarHBondContact O-N 3.05Å; S121-Q124 PolarHBondContact O-N 3.03Å; S121-Q124 VanDerWaalsContact O-N 3.16Å; S121-H125 PolarHBondContact O-CD2 3.35Å; S121-H125 PolarHBondContact O-N 3.42Å; S121-F201 WeakPolarHBondContact CB-O 3.46Å; S121-F201 PolarHBondContact OG-N 3.42Å; S121-F201 VanDerWaalsContact OG-N 3.1Å
122	S	98.2	Very high	96.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.3	-36	176.4	75.2	0	0	0	0	112.9	F118 L119 Q124 H125 F126 Y134	F118-S122 VanDerWaalsContact O-CB 3.31Å; F118-S122 WeakPolarHBondContact O-CB 3.26Å; F118-S122 PolarHBondContact O-N 3.33Å; F118-S122 PolarHBondContact O-OG 2.99Å; L119-S122 WeakPolarHBondContact CA-OG 3.17Å; L119-S122 PolarHBondContact O-N 2.96Å; L119-S122 PolarHBondContact O-OG 3.45Å; S122-Q124 PolarHBondContact O-N 2.79Å; S122-H125 PolarHBondContact O-N 3.42Å; S122-F126 WeakPolarHBondContact O-CA 3.49Å; S122-F126 VanDerWaalsContact O-CB 3.24Å; S122-F126 WeakPolarHBondContact O-CB 3.27Å; S122-F126 PolarHBondContact O-N 2.91Å; S122-Y134 VanDerWaalsContact OG-CE1 3.23Å; S122-Y134 WeakPolarHBondContact OG-CE1 3.36Å; S122-Y134 PolarHBondContact OG-OH 3.48Å
123	E	97.9	Very high	97.2	Very high	28 Å²	28	34.8 Å²	34.8	13%	0.131	20%	0.196	C	C	.	.	H	α-helix	trans	-58.9	-33.5	173.8	-85	-61.7	104.7	0	0	112.4	L119 S121 Y134 L149 A150 R153	L119-E123 PolarHBondContact O-N 2.69Å; S121-E123 PolarHBondContact O-N 3.05Å; E123-Y134 WeakPolarHBondContact OE1-CE2 3.42Å; E123-Y134 PolarHBondContact OE1-OH 2.75Å; E123-L149 HydrophobicContact CG-CD2 4.06Å; E123-L149 WeakPolarHBondContact OE2-CA 3.36Å; E123-A150 PolarHBondContact OE2-N 3.04Å; E123-R153 WeakPolarHBondContact OE1-CD 3.24Å; E123-R153 IonicContact OE1-CZ 2.89Å; E123-R153 IonicContact OE1-NE 3.97Å; E123-R153 PolarHBondContact OE1-NE 3.15Å; E123-R153 IonicContact OE1-NH2 2.84Å; E123-R153 IonicContact OE2-NE 2.73Å
124	Q	97.5	Very high	97.7	Very high	139 Å²	139	32.7 Å²	32.7	65%	0.65	18%	0.179	S	C	*	.	H	α-helix	trans	-78.3	-26.9	-178.7	-63.6	-179.7	8.2	0	0	112.9	S121 S122	S121-Q124 PolarHBondContact O-N 3.03Å; S121-Q124 VanDerWaalsContact O-N 3.16Å; S122-Q124 PolarHBondContact O-N 2.79Å
125	H	98.5	Very high	98	Very high	43 Å²	43	31.7 Å²	31.7	20%	0.199	18%	0.175	C	C	.	.	H	α-helix	trans	-131.4	-27.4	-160.8	-69	-51.6	0	0	0	115.5	S121 S122 F201 G203 F205	S121-H125 PolarHBondContact O-CD2 3.35Å; S121-H125 PolarHBondContact O-N 3.42Å; S122-H125 PolarHBondContact O-N 3.42Å; H125-F201 HydrophobicContact CB-CB 3.75Å; H125-F201 HydrophobicContact CB-CD1 4.31Å; H125-F201 HydrophobicContact CB-CG 4.36Å; H125-F201 PolarHBondContact CD2-O 3.2Å; H125-G203 WeakPolarHBondContact CB-O 3.49Å; H125-F205 PolarHBondContact O-N 2.73Å
126	F	98.7	Very high	98.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.175	C	C	.	.	B	Isolated β-bridge	trans	-89.9	115.6	-172.2	-178.3	-103.1	0	0	0	111.3	V100 L102 S122 S128 V132 R153 F193 F195 F201 F205	V100-F126 HydrophobicContact CG1-CE1 4Å; V100-F126 HydrophobicContact CG1-CZ 3.75Å; L102-F126 HydrophobicContact CB-CE1 3.94Å; L102-F126 HydrophobicContact CB-CZ 4.36Å; L102-F126 HydrophobicContact CD1-CD1 3.69Å; L102-F126 HydrophobicContact CD1-CD2 4.3Å; L102-F126 HydrophobicContact CD1-CE1 3.66Å; L102-F126 HydrophobicContact CD1-CE2 4.26Å; L102-F126 HydrophobicContact CD1-CG 4.02Å; L102-F126 HydrophobicContact CD1-CZ 3.94Å; L102-F126 HydrophobicContact CG-CE1 4.3Å; L102-F126 HydrophobicContact CG-CZ 4.47Å; S122-F126 WeakPolarHBondContact O-CA 3.49Å; S122-F126 VanDerWaalsContact O-CB 3.24Å; S122-F126 WeakPolarHBondContact O-CB 3.27Å; S122-F126 PolarHBondContact O-N 2.91Å; F126-S128 PolarHBondContact O-N 3.4Å; F126-V132 HydrophobicContact CD1-CG1 4.1Å; F126-V132 HydrophobicContact CD1-CG2 4.22Å; F126-V132 HydrophobicContact CE1-CG1 3.99Å; F126-V132 HydrophobicContact CE1-CG2 4.2Å; F126-R153 PolarHBondContact O-NH1 3.27Å; F126-R153 PolarHBondContact O-NH2 2.95Å; F126-F193 HydrophobicContact CE2-CB 4.47Å; F126-F193 HydrophobicContact CE2-CD2 4.27Å; F126-F193 HydrophobicContact CE2-CG 4.47Å; F126-F193 HydrophobicContact CZ-CB 4.18Å; F126-F193 HydrophobicContact CZ-CD2 4.13Å; F126-F193 HydrophobicContact CZ-CG 4.44Å; F126-F195 HydrophobicContact CD2-CE2 4.4Å; F126-F195 HydrophobicContact CD2-CZ 4.12Å; F126-F195 AromaticContact CE2-CE2 3.79Å; F126-F195 HydrophobicContact CE2-CE2 3.79Å; F126-F195 AromaticContact CE2-CZ 3.74Å; F126-F195 HydrophobicContact CE2-CZ 3.74Å; F126-F195 HydrophobicContact CZ-CE2 4.16Å; F126-F201 HydrophobicContact CB-CD1 4.4Å; F126-F201 HydrophobicContact CB-CE1 4.01Å; F126-F201 HydrophobicContact CB-CZ 4.24Å; F126-F201 AromaticContact CD2-CE1 3.87Å; F126-F201 HydrophobicContact CD2-CE1 3.87Å; F126-F201 HydrophobicContact CD2-CZ 4.09Å; F126-F201 HydrophobicContact CG-CE1 4.33Å; F126-F201 HydrophobicContact CG-CZ 4.4Å; F126-F205 CarbonylContact C-O 3.6Å; F126-F205 WeakPolarHBondContact CA-O 3.24Å; F126-F205 HydrophobicContact CD2-CB 4.21Å; F126-F205 AromaticContact CD2-CD1 3.62Å; F126-F205 HydrophobicContact CD2-CD1 3.62Å; F126-F205 HydrophobicContact CD2-CE1 4.17Å; F126-F205 AromaticContact CD2-CG 3.95Å; F126-F205 HydrophobicContact CD2-CG 3.95Å; F126-F205 AromaticContact CE2-CD1 3.68Å; F126-F205 HydrophobicContact CE2-CD1 3.68Å; F126-F205 AromaticContact CE2-CE1 3.78Å; F126-F205 HydrophobicContact CE2-CE1 3.78Å; F126-F205 HydrophobicContact CE2-CG 4.4Å
127	M	98.5	Very high	98	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.15	C	C	.	.	S	Bend	trans	49.1	39.8	171.9	-59.1	-67.2	176.7	0	0	112.4	V100 S129 L130 V132 R153 F193 F205 G206 P207 A209 L210	V100-M127 HydrophobicContact CB-CG 4.39Å; V100-M127 HydrophobicContact CG1-CG 4.43Å; V100-M127 HydrophobicContact CG2-CG 4.06Å; V100-M127 HydrophobicContact CG2-SD 4.24Å; M127-S129 PolarHBondContact O-N 2.95Å; M127-L130 HydrophobicContact CB-CB 4.44Å; M127-L130 PolarHBondContact O-N 3.32Å; M127-L130 VanDerWaalsContact O-O 3.11Å; M127-L130 HydrophobicContact SD-CD1 4.25Å; M127-V132 HydrophobicContact CB-CG2 3.69Å; M127-R153 PolarHBondContact O-NH1 3.1Å; M127-F193 HydrophobicContact CE-CD2 4.04Å; M127-F193 HydrophobicContact CE-CE2 3.56Å; M127-F193 HydrophobicContact CE-CZ 4.45Å; M127-F205 HydrophobicContact CE-CD1 4.03Å; M127-F205 HydrophobicContact CE-CE1 4.04Å; M127-F205 PolarHBondContact N-O 3.29Å; M127-G206 VanDerWaalsContact CE-O 3.32Å; M127-G206 WeakPolarHBondContact CE-O 3.31Å; M127-P207 HydrophobicContact SD-CG 4.27Å; M127-A209 HydrophobicContact CE-CB 4.31Å; M127-L210 HydrophobicContact CE-CD2 3.8Å; M127-L210 HydrophobicContact CE-CG 3.93Å; M127-L210 HydrophobicContact SD-CD1 4.47Å; M127-L210 HydrophobicContact SD-CG 4.41Å
128	S	97	Very high	97.9	Very high	78 Å²	78	22.8 Å²	22.8	55%	0.545	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-16.4	-172.5	-45.6	0	0	0	0	113.8	F126	F126-S128 PolarHBondContact O-N 3.4Å
129	S	96.7	Very high	97.7	Very high	24 Å²	24	24.3 Å²	24.3	17%	0.168	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-5	177.3	59.4	0	0	0	0	114.8	D90 R94 M127 P207	D90-S129 VanDerWaalsContact CG-CB 3.47Å; D90-S129 VanDerWaalsContact CG-OG 3.28Å; D90-S129 VanDerWaalsContact OD1-CB 3.29Å; D90-S129 WeakPolarHBondContact OD1-CB 3.15Å; D90-S129 PolarHBondContact OD1-OG 3.49Å; R94-S129 WeakPolarHBondContact CG-O 3.38Å; M127-S129 PolarHBondContact O-N 2.95Å; S129-P207 WeakPolarHBondContact OG-CG 3.3Å
130	L	98.3	Very high	97.5	Very high	10 Å²	10	25.6 Å²	25.6	5%	0.052	15%	0.145	C	C	.	.	S	Bend	trans	-126.1	156.9	-175.1	-58.5	-178.2	0	0	0	112	H93 R94 V100 M127 P207 L210	H93-L130 HydrophobicContact CB-CD1 4.2Å; H93-L130 HydrophobicContact CB-CD2 3.91Å; R94-L130 HydrophobicContact CG-CD2 4.06Å; V100-L130 HydrophobicContact CG2-CD1 4.02Å; M127-L130 HydrophobicContact CB-CB 4.44Å; M127-L130 PolarHBondContact O-N 3.32Å; M127-L130 VanDerWaalsContact O-O 3.11Å; M127-L130 HydrophobicContact SD-CD1 4.25Å; L130-P207 HydrophobicContact CD1-CB 4.17Å; L130-P207 HydrophobicContact CD1-CG 3.68Å; L130-P207 HydrophobicContact CD2-CG 4.46Å; L130-P207 HydrophobicContact CG-CG 3.89Å; L130-L210 HydrophobicContact CD1-CD1 3.73Å
131	P	98.6	Very high	97.3	Very high	59 Å²	59	24.6 Å²	24.6	38%	0.383	14%	0.142	S	C	.	.			trans	-61.5	135.8	166.5	-19.9	32.7	0	0	0	111.3	S98 V100 N152	S98-P131 WeakPolarHBondContact O-CD 3.26Å; V100-P131 PolarHBondContact N-O 2.85Å; P131-N152 WeakPolarHBondContact CA-O 3.04Å; P131-N152 HydrophobicContact CB-CB 4.32Å
132	V	98.8	Very high	97.1	Very high	1 Å²	1	31 Å²	31	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	131.5	-179.1	176.7	0	0	0	0	111.2	V100 F126 M127 Y134 N152 R153 H154	V100-V132 HydrophobicContact CB-CG2 4.5Å; V100-V132 VanDerWaalsContact O-CA 3.26Å; V100-V132 WeakPolarHBondContact O-CA 3.49Å; F126-V132 HydrophobicContact CD1-CG1 4.1Å; F126-V132 HydrophobicContact CD1-CG2 4.22Å; F126-V132 HydrophobicContact CE1-CG1 3.99Å; F126-V132 HydrophobicContact CE1-CG2 4.2Å; M127-V132 HydrophobicContact CB-CG2 3.69Å; V132-Y134 HydrophobicContact CG1-CD1 4.48Å; V132-Y134 HydrophobicContact CG1-CD2 4.4Å; V132-Y134 HydrophobicContact CG1-CE1 4.19Å; V132-Y134 HydrophobicContact CG1-CE2 4.1Å; V132-N152 PolarHBondContact N-O 2.79Å; V132-R153 HydrophobicContact CB-CG 4.29Å; V132-R153 VanDerWaalsContact CG2-NH1 3.26Å; V132-R153 CarbonylContact O-C 3.5Å; V132-R153 WeakPolarHBondContact O-CA 3.18Å; V132-H154 PolarHBondContact O-N 3.02Å
133	T	98.8	Very high	96.9	Very high	23 Å²	23	35.1 Å²	35.1	14%	0.141	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	121.2	167.2	-57.2	0	0	0	0	109.3	V100 A101 L102 Y135 H154 K156	V100-T133 PolarHBondContact O-N 2.7Å; A101-T133 CarbonylContact C-O 3.55Å; A101-T133 VanDerWaalsContact CA-O 3.3Å; A101-T133 WeakPolarHBondContact CA-O 3.49Å; L102-T133 PolarHBondContact N-O 3.02Å; T133-Y135 HydrophobicContact CG2-CD2 4.07Å; T133-Y135 HydrophobicContact CG2-CE2 3.39Å; T133-Y135 WeakPolarHBondContact O-CD2 3.43Å; T133-H154 CarbonylContact C-O 3.55Å; T133-H154 WeakPolarHBondContact CA-O 3.26Å; T133-H154 HydrophobicContact CG2-CB 4.17Å; T133-K156 HydrophobicContact CG2-CD 4.24Å; T133-K156 HydrophobicContact CG2-CG 4.18Å
134	Y	98.8	Very high	96.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	133.8	172	-57.3	-84.6	0	0	0	110.2	L102 L119 S122 E123 V132 L149 R153 H154 K156	L102-Y134 HydrophobicContact CB-CD1 4Å; L102-Y134 HydrophobicContact CB-CE1 4.44Å; L102-Y134 HydrophobicContact CD1-CD1 4.23Å; L102-Y134 HydrophobicContact CD1-CE1 4.06Å; L102-Y134 HydrophobicContact CD2-CD1 4.11Å; L102-Y134 HydrophobicContact CG-CD1 4.32Å; L102-Y134 CarbonylContact O-C 3.15Å; L102-Y134 WeakPolarHBondContact O-CA 3.48Å; L119-Y134 HydrophobicContact CD2-CD1 4Å; L119-Y134 HydrophobicContact CD2-CE1 4.45Å; L119-Y134 HydrophobicContact CD2-CG 4.3Å; S122-Y134 VanDerWaalsContact OG-CE1 3.23Å; S122-Y134 WeakPolarHBondContact OG-CE1 3.36Å; S122-Y134 PolarHBondContact OG-OH 3.48Å; E123-Y134 WeakPolarHBondContact OE1-CE2 3.42Å; E123-Y134 PolarHBondContact OE1-OH 2.75Å; V132-Y134 HydrophobicContact CG1-CD1 4.48Å; V132-Y134 HydrophobicContact CG1-CD2 4.4Å; V132-Y134 HydrophobicContact CG1-CE1 4.19Å; V132-Y134 HydrophobicContact CG1-CE2 4.1Å; Y134-L149 HydrophobicContact CD2-CD2 4.07Å; Y134-L149 HydrophobicContact CE2-CD2 3.76Å; Y134-R153 PolarHBondContact OH-NH2 2.81Å; Y134-H154 WeakPolarHBondContact CD2-O 3.16Å; Y134-H154 PolarHBondContact N-O 3.01Å; Y134-K156 PolarHBondContact O-N 3.46Å
135	Y	98.6	Very high	96.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	99.6	173.2	-67.6	-99.3	0	0	0	107.4	A101 L102 T103 V104 T133 F137 K156 I158 V180 D184 I185	A101-Y135 HydrophobicContact CB-CD2 3.87Å; A101-Y135 HydrophobicContact CB-CE2 3.57Å; L102-Y135 PolarHBondContact O-N 3.3Å; T103-Y135 WeakPolarHBondContact CA-O 3.35Å; V104-Y135 PolarHBondContact N-O 3.38Å; T133-Y135 HydrophobicContact CG2-CD2 4.07Å; T133-Y135 HydrophobicContact CG2-CE2 3.39Å; T133-Y135 WeakPolarHBondContact O-CD2 3.43Å; Y135-F137 WeakPolarHBondContact O-CD2 3.31Å; Y135-K156 WeakPolarHBondContact CA-O 3.4Å; Y135-K156 HydrophobicContact CD1-CB 4.18Å; Y135-K156 HydrophobicContact CD1-CD 4.41Å; Y135-K156 HydrophobicContact CE1-CB 4.3Å; Y135-K156 HydrophobicContact CE1-CD 3.7Å; Y135-I158 HydrophobicContact CD1-CD1 4.29Å; Y135-I158 HydrophobicContact CD1-CG1 4.31Å; Y135-V180 HydrophobicContact CD1-CG2 3.79Å; Y135-V180 HydrophobicContact CE1-CG2 4.01Å; Y135-D184 VanDerWaalsContact CE1-OD2 3.24Å; Y135-D184 WeakPolarHBondContact CE1-OD2 3.35Å; Y135-D184 VanDerWaalsContact CZ-OD2 3.29Å; Y135-D184 PolarHBondContact OH-OD2 2.78Å; Y135-I185 HydrophobicContact CD1-CD1 4.34Å; Y135-I185 HydrophobicContact CD1-CG1 4.23Å; Y135-I185 HydrophobicContact CD2-CD1 4Å; Y135-I185 HydrophobicContact CD2-CG1 4.21Å; Y135-I185 HydrophobicContact CE1-CD1 4.34Å; Y135-I185 HydrophobicContact CE1-CG1 3.74Å; Y135-I185 HydrophobicContact CE2-CD1 4.02Å; Y135-I185 HydrophobicContact CE2-CG1 3.74Å; Y135-I185 HydrophobicContact CG-CD1 4.17Å; Y135-I185 HydrophobicContact CG-CG1 4.44Å; Y135-I185 VanDerWaalsContact CZ-CG1 3.5Å
136	V	98.2	Very high	96.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	113.8	-179.6	178.5	0	0	0	0	108.4	V104 L115 L119 V144 L155 K156 V157 I158	V104-V136 HydrophobicContact CG1-CG2 4.01Å; L115-V136 HydrophobicContact CD1-CG1 3.97Å; L115-V136 HydrophobicContact CD1-CG2 4.31Å; L115-V136 HydrophobicContact CD2-CG1 3.75Å; L119-V136 HydrophobicContact CD1-CG2 4.44Å; L119-V136 HydrophobicContact CD2-CG2 4.27Å; V136-V144 HydrophobicContact CG1-CG2 4.14Å; V136-L155 HydrophobicContact CG2-CD1 4.12Å; V136-L155 HydrophobicContact CG2-CD2 4.33Å; V136-L155 HydrophobicContact CG2-CG 4.15Å; V136-K156 PolarHBondContact N-O 2.78Å; V136-V157 WeakPolarHBondContact O-CA 3.04Å; V136-I158 PolarHBondContact O-N 2.9Å
137	F	96.3	Very high	96.3	Very high	1 Å²	1	36.3 Å²	36.3	0%	0.004	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	121.1	175.3	-64	-101.1	0	0	0	109.6	T103 V104 F105 A106 Y135 I158 V160 A176 V180	T103-F137 HydrophobicContact CG2-CE2 4Å; V104-F137 PolarHBondContact O-N 3Å; F105-F137 HydrophobicContact CD1-CB 3.51Å; F105-F137 HydrophobicContact CD1-CG 4.11Å; F105-F137 HydrophobicContact CD2-CB 4.15Å; F105-F137 HydrophobicContact CD2-CD2 4.02Å; F105-F137 HydrophobicContact CD2-CG 4.22Å; F105-F137 HydrophobicContact CE1-CB 3.53Å; F105-F137 AromaticContact CE1-CD1 3.87Å; F105-F137 HydrophobicContact CE1-CD1 3.87Å; F105-F137 HydrophobicContact CE1-CD2 4.35Å; F105-F137 AromaticContact CE1-CG 3.68Å; F105-F137 HydrophobicContact CE1-CG 3.68Å; F105-F137 HydrophobicContact CE2-CB 4.14Å; F105-F137 HydrophobicContact CE2-CD1 4.33Å; F105-F137 AromaticContact CE2-CD2 3.57Å; F105-F137 HydrophobicContact CE2-CD2 3.57Å; F105-F137 AromaticContact CE2-CE2 3.95Å; F105-F137 HydrophobicContact CE2-CE2 3.95Å; F105-F137 AromaticContact CE2-CG 3.77Å; F105-F137 HydrophobicContact CE2-CG 3.77Å; F105-F137 HydrophobicContact CE2-CZ 4.42Å; F105-F137 HydrophobicContact CG-CB 3.83Å; F105-F137 HydrophobicContact CG-CG 4.37Å; F105-F137 HydrophobicContact CZ-CB 3.85Å; F105-F137 AromaticContact CZ-CD1 3.65Å; F105-F137 HydrophobicContact CZ-CD1 3.65Å; F105-F137 AromaticContact CZ-CD2 3.76Å; F105-F137 HydrophobicContact CZ-CD2 3.76Å; F105-F137 HydrophobicContact CZ-CE1 4.02Å; F105-F137 HydrophobicContact CZ-CE2 4.15Å; F105-F137 AromaticContact CZ-CG 3.48Å; F105-F137 HydrophobicContact CZ-CG 3.48Å; F105-F137 VanDerWaalsContact CZ-CG 3.48Å; F105-F137 HydrophobicContact CZ-CZ 4.22Å; A106-F137 PolarHBondContact N-O 3.2Å; Y135-F137 WeakPolarHBondContact O-CD2 3.31Å; F137-I158 VanDerWaalsContact CA-O 3.31Å; F137-I158 WeakPolarHBondContact CA-O 3.32Å; F137-I158 HydrophobicContact CD1-CB 3.71Å; F137-I158 HydrophobicContact CD1-CG1 4.37Å; F137-I158 HydrophobicContact CD1-CG2 3.66Å; F137-I158 HydrophobicContact CE1-CB 3.94Å; F137-I158 HydrophobicContact CE1-CG1 4.2Å; F137-I158 HydrophobicContact CE1-CG2 3.68Å; F137-I158 HydrophobicContact CG-CB 4.2Å; F137-I158 HydrophobicContact CZ-CG1 4.39Å; F137-V160 HydrophobicContact CB-CG1 4.13Å; F137-V160 HydrophobicContact CB-CG2 4.35Å; F137-V160 HydrophobicContact CD1-CG1 3.69Å; F137-V160 HydrophobicContact CG-CG1 4.41Å; F137-A176 HydrophobicContact CD1-CB 4.04Å; F137-A176 HydrophobicContact CE1-CB 3.78Å; F137-V180 HydrophobicContact CE1-CB 4.39Å; F137-V180 HydrophobicContact CE1-CG1 4.34Å; F137-V180 HydrophobicContact CE2-CG1 4.44Å; F137-V180 HydrophobicContact CZ-CB 4.04Å; F137-V180 HydrophobicContact CZ-CG1 3.55Å
138	T	94.4	Very high	96.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	154.1	-176.8	177.5	0	0	0	0	112.5	A106 L111 S140 P141 V144 V157 I158 E159 V160	A106-T138 WeakPolarHBondContact O-CA 3.36Å; A106-T138 VanDerWaalsContact O-CB 3.26Å; A106-T138 WeakPolarHBondContact O-CB 3.45Å; A106-T138 PolarHBondContact O-OG1 3.04Å; A106-T138 VanDerWaalsContact O-OG1 3.1Å; L111-T138 HydrophobicContact CD1-CG2 4.37Å; L111-T138 WeakPolarHBondContact CD1-OG1 3.32Å; T138-S140 PolarHBondContact OG1-N 3.03Å; T138-P141 HydrophobicContact CG2-CG 4.39Å; T138-V144 HydrophobicContact CG2-CG2 3.73Å; T138-V157 HydrophobicContact CG2-CG1 3.72Å; T138-I158 PolarHBondContact N-O 2.74Å; T138-I158 VanDerWaalsContact N-O 3.07Å; T138-E159 CarbonylContact O-C 3.46Å; T138-E159 WeakPolarHBondContact O-CA 2.89Å; T138-V160 PolarHBondContact O-N 3.16Å
139	D	92.4	Very high	96.2	Very high	33 Å²	33	44 Å²	44	18%	0.176	23%	0.233	C	C	.	.	S	Bend	trans	-87.2	-1	168.7	62.6	-44.3	0	0	0	113.7	V107 G108 V160 R162	V107-D139 VanDerWaalsContact CA-OD1 3.26Å; V107-D139 WeakPolarHBondContact CA-OD1 3.41Å; V107-D139 HydrophobicContact CG1-CB 4.3Å; G108-D139 PolarHBondContact N-OD1 3.44Å; D139-V160 VanDerWaalsContact CA-O 3.25Å; D139-V160 WeakPolarHBondContact CA-O 3.27Å; D139-V160 WeakPolarHBondContact CB-O 3.12Å; D139-R162 HydrophobicContact CB-CB 3.84Å; D139-R162 WeakPolarHBondContact OD2-CB 3.19Å; D139-R162 VanDerWaalsContact OD2-CD 3.24Å; D139-R162 WeakPolarHBondContact OD2-CD 3.27Å
140	S	93.9	Very high	96.2	Very high	26 Å²	26	45 Å²	45	18%	0.182	24%	0.242	C	C	.	.			trans	-140.2	74.2	177.9	-54.8	0	0	0	0	110.9	T138 E142 L143	T138-S140 PolarHBondContact OG1-N 3.03Å; S140-E142 VanDerWaalsContact C-OE2 3.31Å; S140-E142 PolarHBondContact O-N 3.32Å; S140-L143 PolarHBondContact O-N 3.24Å; S140-L143 VanDerWaalsContact O-N 3.08Å
141	P	94.9	Very high	96.2	Very high	41 Å²	41	50 Å²	50	27%	0.266	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-54.4	-33.8	-176.8	-28	36.8	0	0	0	114.7	T138 L143 V144 V157 E159	T138-P141 HydrophobicContact CG2-CG 4.39Å; P141-L143 PolarHBondContact O-N 3.25Å; P141-V144 WeakPolarHBondContact O-CB 3.47Å; P141-V144 WeakPolarHBondContact O-CG2 3.42Å; P141-V144 PolarHBondContact O-N 2.86Å; P141-V157 HydrophobicContact CB-CG1 3.76Å; P141-V157 HydrophobicContact CG-CG1 4.34Å; P141-E159 HydrophobicContact CG-CB 3.9Å; P141-E159 HydrophobicContact CG-CG 3.79Å
142	E	94.6	Very high	96.1	Very high	144 Å²	144	52.9 Å²	52.9	67%	0.673	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-68	-19.6	-179.8	72.2	-72.5	174.3	0	0	114	S140	S140-E142 VanDerWaalsContact C-OE2 3.31Å; S140-E142 PolarHBondContact O-N 3.32Å
143	L	94.1	Very high	96	Very high	87 Å²	87	53.5 Å²	53.5	46%	0.455	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-91.8	-6.2	179.1	-59.3	-177.2	0	0	0	112.8	L111 S140 P141	L111-L143 HydrophobicContact CD1-CB 4.25Å; L111-L143 HydrophobicContact CD2-CB 3.54Å; S140-L143 PolarHBondContact O-N 3.24Å; S140-L143 VanDerWaalsContact O-N 3.08Å; P141-L143 PolarHBondContact O-N 3.25Å
144	V	96.2	Very high	96	Very high	23 Å²	23	57.7 Å²	57.7	14%	0.139	31%	0.308	C	S	.	.	S	Bend	trans	-61.4	124.8	178.7	176.3	0	0	0	0	109.5	L111 L115 V136 T138 P141 N146 L155 V157	L111-V144 HydrophobicContact CD1-CG2 4.41Å; L115-V144 HydrophobicContact CD2-CG1 4.29Å; L115-V144 HydrophobicContact CD2-CG2 4.32Å; V136-V144 HydrophobicContact CG1-CG2 4.14Å; T138-V144 HydrophobicContact CG2-CG2 3.73Å; P141-V144 WeakPolarHBondContact O-CB 3.47Å; P141-V144 WeakPolarHBondContact O-CG2 3.42Å; P141-V144 PolarHBondContact O-N 2.86Å; V144-N146 PolarHBondContact O-N 2.93Å; V144-L155 HydrophobicContact CG1-CD2 4.13Å; V144-V157 HydrophobicContact CB-CG2 4.16Å; V144-V157 HydrophobicContact CG1-CG2 4Å; V144-V157 HydrophobicContact CG2-CG1 3.93Å; V144-V157 HydrophobicContact CG2-CG2 4Å
145	P	94.3	Very high	96	Very high	27 Å²	27	60 Å²	60	18%	0.175	32%	0.32	C	S	.	.			trans	-66.1	137.5	-174.3	26.9	-35.1	0	0	0	111	L115 E116 L119 I147	L115-P145 HydrophobicContact CD2-CG 4.44Å; L115-P145 HydrophobicContact CG-CG 4.34Å; E116-P145 HydrophobicContact CB-CB 4.18Å; E116-P145 HydrophobicContact CB-CG 3.94Å; E116-P145 HydrophobicContact CG-CB 4.25Å; E116-P145 HydrophobicContact CG-CG 4.41Å; L119-P145 HydrophobicContact CD1-CG 4.13Å; P145-I147 HydrophobicContact CB-CG2 4.29Å; P145-I147 HydrophobicContact CG-CG2 4.37Å; P145-I147 PolarHBondContact O-N 2.77Å
146	N	93.6	Very high	96	Very high	167 Å²	167	63.3 Å²	63.3	89%	0.893	34%	0.335	S	S	*	.			trans	-80.6	97.2	172.6	-175.1	22.2	0	0	0	110	V144	V144-N146 PolarHBondContact O-N 2.93Å
147	I	95.6	Very high	96	Very high	19 Å²	19	66.1 Å²	66.1	10%	0.097	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-97.7	155.5	179.1	69.7	-176.8	0	0	0	111.7	L119 P145 L149 L155	L119-I147 HydrophobicContact CB-CD1 3.51Å; L119-I147 HydrophobicContact CB-CG2 4.48Å; L119-I147 HydrophobicContact CD1-CD1 4.01Å; L119-I147 HydrophobicContact CD2-CD1 4.4Å; L119-I147 HydrophobicContact CG-CD1 4.18Å; P145-I147 HydrophobicContact CB-CG2 4.29Å; P145-I147 HydrophobicContact CG-CG2 4.37Å; P145-I147 PolarHBondContact O-N 2.77Å; I147-L149 HydrophobicContact CD1-CD2 3.69Å; I147-L149 HydrophobicContact CG1-CD2 3.82Å; I147-L149 HydrophobicContact CG1-CG 4.24Å; I147-L149 PolarHBondContact O-N 3.06Å; I147-L155 HydrophobicContact CD1-CD1 4.23Å
148	K	96	Very high	96	Very high	190 Å²	190	68.3 Å²	68.3	83%	0.826	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-81.6	116.7	171.5	-175.6	179.6	179.3	-178.5	0	110.1
149	L	97.8	Very high	95.9	Very high	49 Å²	49	75.4 Å²	75.4	26%	0.257	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-92.5	142.8	176	-61.6	176.3	0	0	0	111.9	E123 Y134 I147 R153 L155	E123-L149 HydrophobicContact CG-CD2 4.06Å; E123-L149 WeakPolarHBondContact OE2-CA 3.36Å; Y134-L149 HydrophobicContact CD2-CD2 4.07Å; Y134-L149 HydrophobicContact CE2-CD2 3.76Å; I147-L149 HydrophobicContact CD1-CD2 3.69Å; I147-L149 HydrophobicContact CG1-CD2 3.82Å; I147-L149 HydrophobicContact CG1-CG 4.24Å; I147-L149 PolarHBondContact O-N 3.06Å; L149-R153 HydrophobicContact CB-CB 4.26Å; L149-L155 HydrophobicContact CD1-CB 3.91Å
150	A	96.8	Very high	95.9	Very high	44 Å²	44	75.2 Å²	75.2	36%	0.364	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-69.3	163.8	170.9	0	0	0	0	0	111.6	E123 R153	E123-A150 PolarHBondContact OE2-N 3.04Å; A150-R153 HydrophobicContact CB-CG 4.49Å; A150-R153 WeakPolarHBondContact O-CB 3.48Å; A150-R153 PolarHBondContact O-N 3.04Å
151	P	96.8	Very high	95.4	Very high	116 Å²	116	80.9 Å²	80.9	75%	0.753	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	143.8	178.1	-25.9	35.4	0	0	0	112.9	R153	P151-R153 PolarHBondContact O-N 3.47Å
152	N	96.5	Very high	94.6	Very high	120 Å²	120	84.3 Å²	84.3	64%	0.642	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.5	26.5	-176	-52.2	-48.7	0	0	0	114.1	P131 V132	P131-N152 WeakPolarHBondContact CA-O 3.04Å; P131-N152 HydrophobicContact CB-CB 4.32Å; V132-N152 PolarHBondContact N-O 2.79Å
153	R	98.4	Very high	93.6	Very high	14 Å²	14	79.7 Å²	79.7	5%	0.053	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138.3	172.3	-52.6	177	77.9	103	-14.3	110.6	E123 F126 M127 V132 Y134 L149 A150 P151	E123-R153 WeakPolarHBondContact OE1-CD 3.24Å; E123-R153 IonicContact OE1-CZ 2.89Å; E123-R153 IonicContact OE1-NE 3.97Å; E123-R153 PolarHBondContact OE1-NE 3.15Å; E123-R153 IonicContact OE1-NH2 2.84Å; E123-R153 IonicContact OE2-NE 2.73Å; F126-R153 PolarHBondContact O-NH1 3.27Å; F126-R153 PolarHBondContact O-NH2 2.95Å; M127-R153 PolarHBondContact O-NH1 3.1Å; V132-R153 HydrophobicContact CB-CG 4.29Å; V132-R153 VanDerWaalsContact CG2-NH1 3.26Å; V132-R153 CarbonylContact O-C 3.5Å; V132-R153 WeakPolarHBondContact O-CA 3.18Å; Y134-R153 PolarHBondContact OH-NH2 2.81Å; L149-R153 HydrophobicContact CB-CB 4.26Å; A150-R153 HydrophobicContact CB-CG 4.49Å; A150-R153 WeakPolarHBondContact O-CB 3.48Å; A150-R153 PolarHBondContact O-N 3.04Å; P151-R153 PolarHBondContact O-N 3.47Å
154	H	98.2	Very high	92.1	Very high	111 Å²	111	81.5 Å²	81.5	51%	0.514	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	152	-174.3	-57.7	-75.5	0	0	0	110.2	V132 T133 Y134	V132-H154 PolarHBondContact O-N 3.02Å; T133-H154 CarbonylContact C-O 3.55Å; T133-H154 WeakPolarHBondContact CA-O 3.26Å; T133-H154 HydrophobicContact CG2-CB 4.17Å; Y134-H154 WeakPolarHBondContact CD2-O 3.16Å; Y134-H154 PolarHBondContact N-O 3.01Å
155	L	98.4	Very high	90.7	Very high	49 Å²	49	86.6 Å²	86.6	26%	0.257	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	127.6	172.8	-173.8	155	0	0	0	108.5	L119 V136 V144 I147 L149 V157	L119-L155 HydrophobicContact CD1-CD1 3.9Å; L119-L155 HydrophobicContact CD2-CD1 4.3Å; V136-L155 HydrophobicContact CG2-CD1 4.12Å; V136-L155 HydrophobicContact CG2-CD2 4.33Å; V136-L155 HydrophobicContact CG2-CG 4.15Å; V144-L155 HydrophobicContact CG1-CD2 4.13Å; I147-L155 HydrophobicContact CD1-CD1 4.23Å; L149-L155 HydrophobicContact CD1-CB 3.91Å; L155-V157 HydrophobicContact CD2-CG2 3.58Å
156	K	98.1	Very high	88.8	Confident	69 Å²	69	89.1 Å²	89.1	30%	0.3	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	130.4	172.3	-68.2	-174.5	177.6	-178.2	0	108.3	T133 Y134 Y135 V136 D184	T133-K156 HydrophobicContact CG2-CD 4.24Å; T133-K156 HydrophobicContact CG2-CG 4.18Å; Y134-K156 PolarHBondContact O-N 3.46Å; Y135-K156 WeakPolarHBondContact CA-O 3.4Å; Y135-K156 HydrophobicContact CD1-CB 4.18Å; Y135-K156 HydrophobicContact CD1-CD 4.41Å; Y135-K156 HydrophobicContact CE1-CB 4.3Å; Y135-K156 HydrophobicContact CE1-CD 3.7Å; V136-K156 PolarHBondContact N-O 2.78Å; K156-D184 IonicContact NZ-OD1 3.41Å; K156-D184 PolarHBondContact NZ-OD1 2.95Å; K156-D184 IonicContact NZ-OD2 3.85Å; K156-D184 PolarHBondContact NZ-OD2 2.9Å
157	V	98	Very high	87	Confident	58 Å²	58	82.6 Å²	82.6	35%	0.352	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	129.6	174.9	-174.6	0	0	0	0	108.4	V136 T138 P141 V144 L155	V136-V157 WeakPolarHBondContact O-CA 3.04Å; T138-V157 HydrophobicContact CG2-CG1 3.72Å; P141-V157 HydrophobicContact CB-CG1 3.76Å; P141-V157 HydrophobicContact CG-CG1 4.34Å; V144-V157 HydrophobicContact CB-CG2 4.16Å; V144-V157 HydrophobicContact CG1-CG2 4Å; V144-V157 HydrophobicContact CG2-CG1 3.93Å; V144-V157 HydrophobicContact CG2-CG2 4Å; L155-V157 HydrophobicContact CD2-CG2 3.58Å
158	I	96.7	Very high	85.7	Confident	48 Å²	48	83.3 Å²	83.3	25%	0.246	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	112.1	177.5	-50.3	-60.3	0	0	0	107.3	Y135 V136 F137 T138 V180	Y135-I158 HydrophobicContact CD1-CD1 4.29Å; Y135-I158 HydrophobicContact CD1-CG1 4.31Å; V136-I158 PolarHBondContact O-N 2.9Å; F137-I158 VanDerWaalsContact CA-O 3.31Å; F137-I158 WeakPolarHBondContact CA-O 3.32Å; F137-I158 HydrophobicContact CD1-CB 3.71Å; F137-I158 HydrophobicContact CD1-CG1 4.37Å; F137-I158 HydrophobicContact CD1-CG2 3.66Å; F137-I158 HydrophobicContact CE1-CB 3.94Å; F137-I158 HydrophobicContact CE1-CG1 4.2Å; F137-I158 HydrophobicContact CE1-CG2 3.68Å; F137-I158 HydrophobicContact CG-CB 4.2Å; F137-I158 HydrophobicContact CZ-CG1 4.39Å; T138-I158 PolarHBondContact N-O 2.74Å; T138-I158 VanDerWaalsContact N-O 3.07Å; I158-V180 HydrophobicContact CD1-CG2 3.99Å; I158-V180 HydrophobicContact CG1-CG2 4.23Å
159	E	93.8	Very high	84.4	Confident	149 Å²	149	77.6 Å²	77.6	70%	0.696	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	131.8	176.6	-169.3	175.4	176.6	0	0	110.1	T138 P141	T138-E159 CarbonylContact O-C 3.46Å; T138-E159 WeakPolarHBondContact O-CA 2.89Å; P141-E159 HydrophobicContact CG-CB 3.9Å; P141-E159 HydrophobicContact CG-CG 3.79Å
160	V	90.6	Very high	82.6	Confident	28 Å²	28	75.5 Å²	75.5	17%	0.17	38%	0.378	C	S	.	.			trans	-132.8	151.9	176.3	-63.3	0	0	0	0	110.6	V107 F137 T138 D139 A176	V107-V160 HydrophobicContact CG2-CG2 3.95Å; F137-V160 HydrophobicContact CB-CG1 4.13Å; F137-V160 HydrophobicContact CB-CG2 4.35Å; F137-V160 HydrophobicContact CD1-CG1 3.69Å; F137-V160 HydrophobicContact CG-CG1 4.41Å; T138-V160 PolarHBondContact O-N 3.16Å; D139-V160 VanDerWaalsContact CA-O 3.25Å; D139-V160 WeakPolarHBondContact CA-O 3.27Å; D139-V160 WeakPolarHBondContact CB-O 3.12Å; V160-A176 HydrophobicContact CG1-CB 4.5Å
161	E	84.8	Confident	81.2	Confident	145 Å²	145	73.8 Å²	73.8	68%	0.678	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-71.9	138.8	176.7	-66.1	-178.3	-178.4	0	0	111.6	H163	E161-H163 PolarHBondContact O-CD2 2.68Å; E161-H163 PolarHBondContact O-N 3.16Å; E161-H163 IonicContact OE2-CE1 3.51Å
162	R	77.2	Confident	80.3	Confident	114 Å²	114	71.4 Å²	71.4	43%	0.43	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-75.8	118	170.3	-169.7	-178.8	177.5	177.6	-11.9	109.9	V107 D139 S336	V107-R162 HydrophobicContact CG1-CB 4.33Å; V107-R162 HydrophobicContact CG1-CG 3.92Å; D139-R162 HydrophobicContact CB-CB 3.84Å; D139-R162 WeakPolarHBondContact OD2-CB 3.19Å; D139-R162 VanDerWaalsContact OD2-CD 3.24Å; D139-R162 WeakPolarHBondContact OD2-CD 3.27Å; R162-S336 PolarHBondContact NH2-OXT 2.74Å
163	H	74.3	Confident	80	Confident	46 Å²	46	67.5 Å²	67.5	21%	0.213	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-104	139.5	170.1	-58.2	-69.5	0	0	0	111	E161 D168 I169	E161-H163 PolarHBondContact O-CD2 2.68Å; E161-H163 PolarHBondContact O-N 3.16Å; E161-H163 IonicContact OE2-CE1 3.51Å; H163-D168 HydrophobicContact CB-CB 3.62Å; H163-I169 HydrophobicContact CB-CG1 4.33Å
164	T	62.9	Low	79.7	Confident	125 Å²	125	66.9 Å²	66.9	77%	0.767	32%	0.316	S	S	*	.	S	Bend	trans	-85.5	-24.9	-177.8	52.3	0	0	0	0	113.1
165	R	65.8	Low	79.5	Confident	130 Å²	130	64.8 Å²	64.8	49%	0.491	31%	0.306	S	S	.	.	S	Bend	trans	-89.1	125.9	177.3	-78.9	-170.5	71	179.5	2.6	109.9	Q167 D168 I169	R165-Q167 VanDerWaalsContact NE-OE1 3.15Å; R165-Q167 VanDerWaalsContact NH2-NE2 3.16Å; R165-Q167 PolarHBondContact O-N 3.06Å; R165-Q167 VanDerWaalsContact O-N 3.1Å; R165-D168 HydrophobicContact CB-CB 4.41Å; R165-D168 WeakPolarHBondContact CB-OD2 3.42Å; R165-D168 PolarHBondContact O-N 2.77Å; R165-I169 PolarHBondContact O-N 3.29Å; R165-I169 VanDerWaalsContact O-N 3.13Å
166	W	55.7	Low	79.4	Confident	80 Å²	80	63.2 Å²	63.2	30%	0.303	30%	0.3	S	S	.	.	H	α-helix	trans	-55.7	-33.1	179.1	79.5	-103.1	0	0	0	111.3	D168 I169 S170 E280 H284	W166-D168 VanDerWaalsContact C-N 3.3Å; W166-D168 PolarHBondContact O-N 3.12Å; W166-I169 WeakPolarHBondContact O-CB 3.48Å; W166-I169 PolarHBondContact O-N 3.29Å; W166-I169 VanDerWaalsContact O-N 3.13Å; W166-S170 PolarHBondContact O-N 3.14Å; W166-E280 HydrophobicContact CH2-CG 3.54Å; W166-E280 HydrophobicContact CZ2-CG 3.31Å; W166-E280 WeakPolarHBondContact CZ2-OE1 3.49Å; W166-E280 PolarHBondContact NE1-OE1 3.33Å; W166-H284 AromaticContact CD2-CD2 3.94Å; W166-H284 AromaticContact CD2-CE1 3.42Å; W166-H284 VanDerWaalsContact CD2-CE1 3.42Å; W166-H284 AromaticContact CD2-CG 3.95Å; W166-H284 AromaticContact CD2-ND1 3.67Å; W166-H284 AromaticContact CD2-NE2 3.6Å; W166-H284 AromaticContact CE2-CD2 3.61Å; W166-H284 AromaticContact CE2-CE1 3.47Å; W166-H284 VanDerWaalsContact CE2-CE1 3.47Å; W166-H284 AromaticContact CE2-NE2 3.15Å; W166-H284 HydrophobicContact CE3-CB 3.8Å; W166-H284 AromaticContact CE3-CD2 3.61Å; W166-H284 AromaticContact CE3-CE1 3.51Å; W166-H284 AromaticContact CE3-CG 3.26Å; W166-H284 AromaticContact CE3-ND1 3.24Å; W166-H284 AromaticContact CE3-NE2 3.73Å; W166-H284 HydrophobicContact CH2-CB 3.69Å; W166-H284 AromaticContact CH2-CD2 2.76Å; W166-H284 WeakPolarHBondContact CH2-CD2 3.33Å; W166-H284 AromaticContact CH2-CE1 3.96Å; W166-H284 AromaticContact CH2-CG 3.19Å; W166-H284 AromaticContact CH2-ND1 3.94Å; W166-H284 AromaticContact CH2-NE2 3.32Å; W166-H284 VanDerWaalsContact CH2-NE2 3.32Å; W166-H284 WeakPolarHBondContact CH2-NE2 3.32Å; W166-H284 AromaticContact CZ2-CD2 2.91Å; W166-H284 WeakPolarHBondContact CZ2-CD2 3.44Å; W166-H284 AromaticContact CZ2-CE1 3.63Å; W166-H284 AromaticContact CZ2-CG 3.66Å; W166-H284 AromaticContact CZ2-NE2 2.88Å; W166-H284 WeakPolarHBondContact CZ2-NE2 2.88Å; W166-H284 HydrophobicContact CZ3-CB 3.19Å; W166-H284 AromaticContact CZ3-CD2 3.14Å; W166-H284 WeakPolarHBondContact CZ3-CD2 3.42Å; W166-H284 AromaticContact CZ3-CE1 3.89Å; W166-H284 AromaticContact CZ3-CG 2.95Å; W166-H284 AromaticContact CZ3-ND1 3.52Å; W166-H284 AromaticContact CZ3-NE2 3.71Å; W166-H284 AromaticContact NE1-NE2 3.86Å
167	Q	54.2	Low	79.4	Confident	31 Å²	31	60 Å²	60	15%	0.145	29%	0.286	C	S	.	.	H	α-helix	trans	-54.3	-51.8	176.4	-62	84.8	-8	0	0	109.8	R165 I169 S170 M171 E280	R165-Q167 VanDerWaalsContact NE-OE1 3.15Å; R165-Q167 VanDerWaalsContact NH2-NE2 3.16Å; R165-Q167 PolarHBondContact O-N 3.06Å; R165-Q167 VanDerWaalsContact O-N 3.1Å; Q167-I169 VanDerWaalsContact C-N 3.33Å; Q167-I169 PolarHBondContact O-N 3.29Å; Q167-S170 PolarHBondContact O-N 3.25Å; Q167-M171 VanDerWaalsContact C-CE 3.46Å; Q167-M171 HydrophobicContact CB-CE 3.93Å; Q167-M171 WeakPolarHBondContact O-CE 3.46Å; Q167-M171 WeakPolarHBondContact O-CG 3.29Å; Q167-M171 PolarHBondContact O-N 2.91Å; Q167-M171 VanDerWaalsContact O-N 3.08Å; Q167-E280 VanDerWaalsContact CD-OE2 3.23Å; Q167-E280 HydrophobicContact CG-CG 4.32Å; Q167-E280 WeakPolarHBondContact CG-OE2 3.49Å; Q167-E280 VanDerWaalsContact NE2-CD 3.26Å; Q167-E280 PolarHBondContact NE2-OE1 3.22Å; Q167-E280 PolarHBondContact NE2-OE2 2.74Å
168	D	69.5	Low	79.3	Confident	34 Å²	34	57.5 Å²	57.5	18%	0.182	27%	0.271	C	S	.	.	H	α-helix	trans	-66.5	-35.2	-179.2	-60.8	-45.1	0	0	0	110.9	H163 R165 W166 M171 M172 K275	H163-D168 HydrophobicContact CB-CB 3.62Å; R165-D168 HydrophobicContact CB-CB 4.41Å; R165-D168 WeakPolarHBondContact CB-OD2 3.42Å; R165-D168 PolarHBondContact O-N 2.77Å; W166-D168 VanDerWaalsContact C-N 3.3Å; W166-D168 PolarHBondContact O-N 3.12Å; D168-M171 HydrophobicContact CB-CE 4.29Å; D168-M171 WeakPolarHBondContact OD1-CE 3.32Å; D168-M172 WeakPolarHBondContact O-CB 3.1Å; D168-M172 WeakPolarHBondContact O-CG 2.79Å; D168-M172 PolarHBondContact O-N 3.03Å; D168-K275 IonicContact OD1-NZ 2.94Å; D168-K275 PolarHBondContact OD1-NZ 3.46Å
169	I	68.1	Low	79.4	Confident	69 Å²	69	58.7 Å²	58.7	35%	0.354	28%	0.278	S	S	.	.	H	α-helix	trans	-61.2	-46.6	173.4	-58.4	174.3	0	0	0	111.5	H163 R165 W166 Q167 R173	H163-I169 HydrophobicContact CB-CG1 4.33Å; R165-I169 PolarHBondContact O-N 3.29Å; R165-I169 VanDerWaalsContact O-N 3.13Å; W166-I169 WeakPolarHBondContact O-CB 3.48Å; W166-I169 PolarHBondContact O-N 3.29Å; W166-I169 VanDerWaalsContact O-N 3.13Å; Q167-I169 VanDerWaalsContact C-N 3.33Å; Q167-I169 PolarHBondContact O-N 3.29Å; I169-R173 PolarHBondContact O-N 3.24Å; I169-R173 VanDerWaalsContact O-N 3.12Å
170	S	59.1	Low	79.6	Confident	5 Å²	5	52 Å²	52	4%	0.035	25%	0.247	C	C	.	.	H	α-helix	trans	-66.9	-44	-178	-178	0	0	0	0	112.3	W166 Q167 R173 D285	W166-S170 PolarHBondContact O-N 3.14Å; Q167-S170 PolarHBondContact O-N 3.25Å; S170-R173 PolarHBondContact O-N 3.07Å; S170-D285 WeakPolarHBondContact OG-CB 2.76Å; S170-D285 PolarHBondContact OG-N 2.94Å; S170-D285 VanDerWaalsContact OG-N 3.08Å; S170-D285 PolarHBondContact OG-OD1 3.44Å
171	M	68.1	Low	80	Confident	8 Å²	8	50.7 Å²	50.7	4%	0.039	24%	0.239	C	C	.	.	H	α-helix	trans	-68.6	-39.3	176.7	-6.7	-173.5	-149.2	0	0	112.2	Q167 D168 R173 M174 K175 Y268 I271 M272 K275	Q167-M171 VanDerWaalsContact C-CE 3.46Å; Q167-M171 HydrophobicContact CB-CE 3.93Å; Q167-M171 WeakPolarHBondContact O-CE 3.46Å; Q167-M171 WeakPolarHBondContact O-CG 3.29Å; Q167-M171 PolarHBondContact O-N 2.91Å; Q167-M171 VanDerWaalsContact O-N 3.08Å; D168-M171 HydrophobicContact CB-CE 4.29Å; D168-M171 WeakPolarHBondContact OD1-CE 3.32Å; M171-R173 PolarHBondContact O-N 3.07Å; M171-M174 PolarHBondContact O-N 2.66Å; M171-K175 PolarHBondContact O-N 2.93Å; M171-K175 VanDerWaalsContact O-N 3.12Å; M171-Y268 HydrophobicContact CB-CD2 4.3Å; M171-Y268 HydrophobicContact CB-CE2 4.38Å; M171-I271 HydrophobicContact CB-CG2 3.63Å; M171-I271 HydrophobicContact CG-CG2 3.39Å; M171-I271 HydrophobicContact SD-CG2 3.55Å; M171-I271 VanDerWaalsContact SD-CG2 3.55Å; M171-M272 HydrophobicContact SD-SD 3.96Å; M171-K275 HydrophobicContact CE-CD 3.68Å; M171-K275 VanDerWaalsContact CE-NZ 3.32Å; M171-K275 HydrophobicContact SD-CD 3.78Å
172	M	79.1	Confident	80.6	Confident	67 Å²	67	47.7 Å²	47.7	33%	0.33	23%	0.225	S	C	.	.	H	α-helix	trans	-67.6	-29.6	-177.9	-70.8	-62.7	-73.5	0	0	111.9	D168 K175 A176	D168-M172 WeakPolarHBondContact O-CB 3.1Å; D168-M172 WeakPolarHBondContact O-CG 2.79Å; D168-M172 PolarHBondContact O-N 3.03Å; M172-K175 PolarHBondContact O-N 3.21Å; M172-K175 HydrophobicContact SD-CD 4.42Å; M172-A176 WeakPolarHBondContact O-CB 3.44Å; M172-A176 PolarHBondContact O-N 3.2Å
173	R	88.4	Confident	81.6	Confident	38 Å²	38	46.3 Å²	46.3	14%	0.143	23%	0.233	C	C	.	.	H	α-helix	trans	-58.6	-54.6	172.7	-160.2	-171.3	-52	167.2	5.1	112	F105 I169 S170 M171 K175 A176 I177 D196 D285	F105-R173 HydrophobicContact CD1-CG 4.09Å; F105-R173 HydrophobicContact CD2-CG 3.48Å; F105-R173 VanDerWaalsContact CD2-CG 3.48Å; F105-R173 HydrophobicContact CE1-CB 4.27Å; F105-R173 HydrophobicContact CE1-CG 3.96Å; F105-R173 HydrophobicContact CE2-CB 4.41Å; F105-R173 HydrophobicContact CE2-CG 3.35Å; F105-R173 HydrophobicContact CG-CG 3.87Å; F105-R173 HydrophobicContact CZ-CB 4.19Å; F105-R173 HydrophobicContact CZ-CG 3.6Å; I169-R173 PolarHBondContact O-N 3.24Å; I169-R173 VanDerWaalsContact O-N 3.12Å; S170-R173 PolarHBondContact O-N 3.07Å; M171-R173 PolarHBondContact O-N 3.07Å; R173-K175 VanDerWaalsContact C-N 3.33Å; R173-K175 PolarHBondContact O-N 2.8Å; R173-A176 PolarHBondContact O-N 3.14Å; R173-I177 HydrophobicContact CG-CD1 3.95Å; R173-I177 WeakPolarHBondContact O-CB 3.35Å; R173-I177 WeakPolarHBondContact O-CD1 3.23Å; R173-I177 VanDerWaalsContact O-CG1 3.22Å; R173-I177 WeakPolarHBondContact O-CG1 3.48Å; R173-I177 PolarHBondContact O-N 2.6Å; R173-D196 IonicContact CZ-OD1 3.46Å; R173-D196 IonicContact NH1-OD1 2.98Å; R173-D196 PolarHBondContact NH1-OD1 3.21Å; R173-D196 IonicContact NH2-OD1 3.62Å; R173-D285 IonicContact CZ-OD2 2.63Å; R173-D285 IonicContact NH1-OD2 2.64Å; R173-D285 PolarHBondContact NH1-OD2 3.44Å; R173-D285 IonicContact NH2-OD2 2.85Å
174	M	93.8	Very high	82.7	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.2	-43.5	-179.1	-67	-66.1	175.5	0	0	111.3	M171 S178 F253 L263 T264 C267 I271 D285	M171-M174 PolarHBondContact O-N 2.66Å; M174-S178 PolarHBondContact O-N 3.49Å; M174-S178 VanDerWaalsContact O-N 3.13Å; M174-F253 HydrophobicContact CE-CE1 4.33Å; M174-F253 HydrophobicContact CE-CZ 4.29Å; M174-F253 HydrophobicContact SD-CZ 4.29Å; M174-L263 HydrophobicContact SD-CD2 4.48Å; M174-T264 WeakPolarHBondContact O-CB 3.37Å; M174-T264 HydrophobicContact SD-CG2 3.85Å; M174-C267 HydrophobicContact CE-CB 4.22Å; M174-C267 HydrophobicContact CG-CB 4.02Å; M174-C267 HydrophobicContact SD-CB 3.89Å; M174-I271 HydrophobicContact CG-CD1 4.25Å; M174-D285 HydrophobicContact CE-CB 3.69Å
175	K	94.2	Very high	84.4	Confident	67 Å²	67	40 Å²	40	29%	0.291	20%	0.196	S	C	.	.	H	α-helix	trans	-64.2	-51.5	177.8	-170.3	-174	178.9	-66.1	0	112.2	M171 M172 R173 I177 S178 D179 Y268	M171-K175 PolarHBondContact O-N 2.93Å; M171-K175 VanDerWaalsContact O-N 3.12Å; M172-K175 PolarHBondContact O-N 3.21Å; M172-K175 HydrophobicContact SD-CD 4.42Å; R173-K175 VanDerWaalsContact C-N 3.33Å; R173-K175 PolarHBondContact O-N 2.8Å; K175-I177 VanDerWaalsContact C-N 3.31Å; K175-I177 PolarHBondContact O-N 2.92Å; K175-S178 WeakPolarHBondContact O-CB 3.45Å; K175-S178 PolarHBondContact O-N 2.66Å; K175-S178 VanDerWaalsContact O-N 3.11Å; K175-D179 IonicContact NZ-OD2 3.42Å; K175-D179 PolarHBondContact NZ-OD2 3.39Å; K175-D179 VanDerWaalsContact O-CG 3.3Å; K175-D179 PolarHBondContact O-N 2.73Å; K175-Y268 HydrophobicContact CB-CD2 3.77Å; K175-Y268 HydrophobicContact CB-CE2 3.81Å; K175-Y268 HydrophobicContact CB-CG 4.21Å; K175-Y268 HydrophobicContact CD-CE1 4.39Å; K175-Y268 HydrophobicContact CD-CE2 3.97Å; K175-Y268 HydrophobicContact CG-CD2 4.44Å; K175-Y268 HydrophobicContact CG-CE1 4.36Å; K175-Y268 HydrophobicContact CG-CE2 4.14Å
176	A	95.2	Very high	86	Confident	16 Å²	16	38 Å²	38	13%	0.132	19%	0.189	C	C	.	.	H	α-helix	trans	-63.7	-36.7	-176.4	0	0	0	0	0	112.2	F105 F137 V160 M172 R173 D179 V180	F105-A176 HydrophobicContact CE1-CB 4.19Å; F105-A176 HydrophobicContact CZ-CB 3.97Å; F137-A176 HydrophobicContact CD1-CB 4.04Å; F137-A176 HydrophobicContact CE1-CB 3.78Å; V160-A176 HydrophobicContact CG1-CB 4.5Å; M172-A176 WeakPolarHBondContact O-CB 3.44Å; M172-A176 PolarHBondContact O-N 3.2Å; R173-A176 PolarHBondContact O-N 3.14Å; A176-D179 PolarHBondContact O-N 3.31Å; A176-V180 PolarHBondContact O-N 2.81Å
177	I	97.3	Very high	87.9	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-62.1	-49.3	171.7	-66.7	163.8	0	0	0	110.4	F105 R173 K175 D179 V180 I181 C194 F253 V260 T264	F105-I177 HydrophobicContact CE2-CD1 3.85Å; F105-I177 HydrophobicContact CE2-CG1 3.65Å; F105-I177 HydrophobicContact CZ-CD1 4.47Å; F105-I177 HydrophobicContact CZ-CG1 4Å; R173-I177 HydrophobicContact CG-CD1 3.95Å; R173-I177 WeakPolarHBondContact O-CB 3.35Å; R173-I177 WeakPolarHBondContact O-CD1 3.23Å; R173-I177 VanDerWaalsContact O-CG1 3.22Å; R173-I177 WeakPolarHBondContact O-CG1 3.48Å; R173-I177 PolarHBondContact O-N 2.6Å; K175-I177 VanDerWaalsContact C-N 3.31Å; K175-I177 PolarHBondContact O-N 2.92Å; I177-D179 VanDerWaalsContact C-N 3.31Å; I177-D179 PolarHBondContact O-N 3.47Å; I177-V180 WeakPolarHBondContact O-CG1 3.4Å; I177-V180 PolarHBondContact O-N 3.23Å; I177-I181 HydrophobicContact CG2-CD1 3.67Å; I177-I181 HydrophobicContact CG2-CG1 4.32Å; I177-I181 WeakPolarHBondContact O-CB 3.41Å; I177-I181 WeakPolarHBondContact O-CG1 3.38Å; I177-I181 PolarHBondContact O-N 3.32Å; I177-C194 HydrophobicContact CD1-CB 4.15Å; I177-F253 HydrophobicContact CD1-CZ 4.16Å; I177-V260 HydrophobicContact CG2-CG1 4.34Å; I177-T264 HydrophobicContact CB-CG2 4.12Å; I177-T264 HydrophobicContact CG2-CG2 3.81Å
178	S	97.7	Very high	89.9	Confident	7 Å²	7	43.4 Å²	43.4	5%	0.049	22%	0.217	C	C	.	.	H	α-helix	trans	-58	-44.8	178.4	178.8	0	0	0	0	112.1	M174 K175 I181 E182 E265	M174-S178 PolarHBondContact O-N 3.49Å; M174-S178 VanDerWaalsContact O-N 3.13Å; K175-S178 WeakPolarHBondContact O-CB 3.45Å; K175-S178 PolarHBondContact O-N 2.66Å; K175-S178 VanDerWaalsContact O-N 3.11Å; S178-I181 PolarHBondContact O-N 3.46Å; S178-E182 PolarHBondContact O-N 2.97Å; S178-E265 WeakPolarHBondContact OG-CG 3.48Å
179	D	97.5	Very high	91.3	Very high	73 Å²	73	42.2 Å²	42.2	39%	0.39	21%	0.212	S	C	.	.	H	α-helix	trans	-66.2	-44.5	-178	-68.7	-15.9	0	0	0	111.9	K175 A176 I177 I181 E182 S183	K175-D179 IonicContact NZ-OD2 3.42Å; K175-D179 PolarHBondContact NZ-OD2 3.39Å; K175-D179 VanDerWaalsContact O-CG 3.3Å; K175-D179 PolarHBondContact O-N 2.73Å; A176-D179 PolarHBondContact O-N 3.31Å; I177-D179 VanDerWaalsContact C-N 3.31Å; I177-D179 PolarHBondContact O-N 3.47Å; D179-I181 VanDerWaalsContact C-N 3.27Å; D179-I181 PolarHBondContact O-N 2.86Å; D179-E182 PolarHBondContact O-N 2.92Å; D179-S183 WeakPolarHBondContact O-CB 3.48Å; D179-S183 PolarHBondContact O-N 3.44Å; D179-S183 PolarHBondContact O-OG 3.1Å
180	V	98.2	Very high	92.7	Very high	8 Å²	8	41.2 Å²	41.2	5%	0.048	21%	0.209	C	C	.	.	H	α-helix	trans	-67	-31.4	175.5	85.2	0	0	0	0	111.7	Y135 F137 I158 A176 I177 S183 D184 I185	Y135-V180 HydrophobicContact CD1-CG2 3.79Å; Y135-V180 HydrophobicContact CE1-CG2 4.01Å; F137-V180 HydrophobicContact CE1-CB 4.39Å; F137-V180 HydrophobicContact CE1-CG1 4.34Å; F137-V180 HydrophobicContact CE2-CG1 4.44Å; F137-V180 HydrophobicContact CZ-CB 4.04Å; F137-V180 HydrophobicContact CZ-CG1 3.55Å; I158-V180 HydrophobicContact CD1-CG2 3.99Å; I158-V180 HydrophobicContact CG1-CG2 4.23Å; A176-V180 PolarHBondContact O-N 2.81Å; I177-V180 WeakPolarHBondContact O-CG1 3.4Å; I177-V180 PolarHBondContact O-N 3.23Å; V180-S183 WeakPolarHBondContact CA-OG 3.46Å; V180-D184 HydrophobicContact CG2-CB 4.44Å; V180-D184 PolarHBondContact O-N 3.03Å; V180-I185 HydrophobicContact CG1-CD1 3.5Å; V180-I185 VanDerWaalsContact CG1-CD1 3.5Å; V180-I185 HydrophobicContact CG1-CG1 4.04Å; V180-I185 HydrophobicContact CG2-CG1 4.47Å; V180-I185 PolarHBondContact O-N 2.96Å
181	I	98.6	Very high	94.6	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.213	C	C	.	.	I	π-helix	trans	-64.3	-46.3	175.1	-68.9	166.6	0	0	0	110.5	I177 S178 D179 I185 R186 V192 W257 V260 K261	I177-I181 HydrophobicContact CG2-CD1 3.67Å; I177-I181 HydrophobicContact CG2-CG1 4.32Å; I177-I181 WeakPolarHBondContact O-CB 3.41Å; I177-I181 WeakPolarHBondContact O-CG1 3.38Å; I177-I181 PolarHBondContact O-N 3.32Å; S178-I181 PolarHBondContact O-N 3.46Å; D179-I181 VanDerWaalsContact C-N 3.27Å; D179-I181 PolarHBondContact O-N 2.86Å; I181-I185 HydrophobicContact CG1-CB 4.25Å; I181-I185 HydrophobicContact CG1-CD1 3.92Å; I181-I185 HydrophobicContact CG1-CG1 4.47Å; I181-R186 HydrophobicContact CG2-CB 4.41Å; I181-R186 VanDerWaalsContact O-CB 3.24Å; I181-R186 WeakPolarHBondContact O-CB 3.29Å; I181-R186 VanDerWaalsContact O-CG 3.25Å; I181-R186 WeakPolarHBondContact O-CG 3.12Å; I181-R186 PolarHBondContact O-N 3.02Å; I181-V192 HydrophobicContact CD1-CG1 4.48Å; I181-V192 HydrophobicContact CD1-CG2 4.33Å; I181-V192 HydrophobicContact CG1-CG2 4.34Å; I181-W257 HydrophobicContact CG2-CB 4.15Å; I181-W257 HydrophobicContact CG2-CE3 4.01Å; I181-V260 HydrophobicContact CD1-CB 4.15Å; I181-V260 HydrophobicContact CD1-CG1 3.74Å; I181-K261 HydrophobicContact CB-CB 4.44Å; I181-K261 HydrophobicContact CD1-CB 4.25Å; I181-K261 HydrophobicContact CG2-CB 3.93Å; I181-K261 HydrophobicContact CG2-CD 4.15Å; I181-K261 HydrophobicContact CG2-CG 4.4Å
182	E	98.2	Very high	96.1	Very high	82 Å²	82	41.9 Å²	41.9	38%	0.383	21%	0.211	S	C	.	.	I	π-helix	trans	-66.4	-41.9	-178.8	-174.5	58.5	-163.8	0	0	112.2	S178 D179 R186 K261	S178-E182 PolarHBondContact O-N 2.97Å; D179-E182 PolarHBondContact O-N 2.92Å; E182-R186 VanDerWaalsContact O-CD 3.31Å; E182-R186 WeakPolarHBondContact O-CD 3.42Å; E182-R186 PolarHBondContact O-NE 3.25Å; E182-R186 IonicContact OE1-CZ 3.56Å; E182-R186 IonicContact OE1-NH1 2.79Å; E182-R186 PolarHBondContact OE1-NH1 2.99Å; E182-R186 IonicContact OE1-NH2 3.44Å; E182-R186 IonicContact OE2-CZ 3.62Å; E182-R186 IonicContact OE2-NH1 3.25Å; E182-R186 PolarHBondContact OE2-NH1 3.22Å; E182-K261 WeakPolarHBondContact OE2-CE 3.22Å
183	S	97.8	Very high	97	Very high	85 Å²	85	38.8 Å²	38.8	59%	0.594	20%	0.196	S	C	*	.	I	π-helix	trans	-82.7	-31.3	-173.9	53.4	0	0	0	0	114.6	D179 V180	D179-S183 WeakPolarHBondContact O-CB 3.48Å; D179-S183 PolarHBondContact O-N 3.44Å; D179-S183 PolarHBondContact O-OG 3.1Å; V180-S183 WeakPolarHBondContact CA-OG 3.46Å
184	D	98.2	Very high	97.5	Very high	38 Å²	38	37.1 Å²	37.1	20%	0.203	19%	0.19	C	C	.	.	I	π-helix	trans	-137.6	-59.6	-171.4	-171	91.1	0	0	0	113	Y135 K156 V180 R186 H187 H188	Y135-D184 VanDerWaalsContact CE1-OD2 3.24Å; Y135-D184 WeakPolarHBondContact CE1-OD2 3.35Å; Y135-D184 VanDerWaalsContact CZ-OD2 3.29Å; Y135-D184 PolarHBondContact OH-OD2 2.78Å; K156-D184 IonicContact NZ-OD1 3.41Å; K156-D184 PolarHBondContact NZ-OD1 2.95Å; K156-D184 IonicContact NZ-OD2 3.85Å; K156-D184 PolarHBondContact NZ-OD2 2.9Å; V180-D184 HydrophobicContact CG2-CB 4.44Å; V180-D184 PolarHBondContact O-N 3.03Å; D184-R186 VanDerWaalsContact C-N 3.3Å; D184-R186 PolarHBondContact O-N 3.43Å; D184-R186 VanDerWaalsContact O-N 3.14Å; D184-H187 WeakPolarHBondContact O-CB 3.48Å; D184-H187 PolarHBondContact O-N 2.81Å; D184-H188 PolarHBondContact O-CD2 3.41Å; D184-H188 VanDerWaalsContact O-CD2 3.29Å; D184-H188 IonicContact OD1-CD2 3.61Å; D184-H188 IonicContact OD1-NE2 3.92Å; D184-H188 IonicContact OD2-CD2 2.92Å
185	I	98.5	Very high	97.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.192	C	C	.	.	I	π-helix	trans	-57.9	-41.2	-166.4	-58.8	-178.1	0	0	0	112.2	A101 T103 Y135 V180 I181 H187 H188 A189 V192	A101-I185 HydrophobicContact CB-CB 4.44Å; A101-I185 HydrophobicContact CB-CD1 3.87Å; A101-I185 HydrophobicContact CB-CG1 4.18Å; A101-I185 HydrophobicContact CB-CG2 3.44Å; A101-I185 VanDerWaalsContact CB-CG2 3.44Å; T103-I185 HydrophobicContact CG2-CD1 3.96Å; Y135-I185 HydrophobicContact CD1-CD1 4.34Å; Y135-I185 HydrophobicContact CD1-CG1 4.23Å; Y135-I185 HydrophobicContact CD2-CD1 4Å; Y135-I185 HydrophobicContact CD2-CG1 4.21Å; Y135-I185 HydrophobicContact CE1-CD1 4.34Å; Y135-I185 HydrophobicContact CE1-CG1 3.74Å; Y135-I185 HydrophobicContact CE2-CD1 4.02Å; Y135-I185 HydrophobicContact CE2-CG1 3.74Å; Y135-I185 HydrophobicContact CG-CD1 4.17Å; Y135-I185 HydrophobicContact CG-CG1 4.44Å; Y135-I185 VanDerWaalsContact CZ-CG1 3.5Å; V180-I185 HydrophobicContact CG1-CD1 3.5Å; V180-I185 VanDerWaalsContact CG1-CD1 3.5Å; V180-I185 HydrophobicContact CG1-CG1 4.04Å; V180-I185 HydrophobicContact CG2-CG1 4.47Å; V180-I185 PolarHBondContact O-N 2.96Å; I181-I185 HydrophobicContact CG1-CB 4.25Å; I181-I185 HydrophobicContact CG1-CD1 3.92Å; I181-I185 HydrophobicContact CG1-CG1 4.47Å; I185-H187 PolarHBondContact O-N 3.14Å; I185-H188 PolarHBondContact O-N 3.25Å; I185-A189 HydrophobicContact CG2-CB 3.61Å; I185-A189 PolarHBondContact O-N 3.22Å; I185-V192 HydrophobicContact CD1-CG1 4.39Å; I185-V192 HydrophobicContact CG2-CG2 3.6Å
186	R	98	Very high	97.7	Very high	88 Å²	88	36.1 Å²	36.1	33%	0.332	19%	0.188	S	C	.	.	H	α-helix	trans	-59.7	-18.2	-177.8	73	178.7	-146.2	171	4.2	114.3	I181 E182 D184 W257	I181-R186 HydrophobicContact CG2-CB 4.41Å; I181-R186 VanDerWaalsContact O-CB 3.24Å; I181-R186 WeakPolarHBondContact O-CB 3.29Å; I181-R186 VanDerWaalsContact O-CG 3.25Å; I181-R186 WeakPolarHBondContact O-CG 3.12Å; I181-R186 PolarHBondContact O-N 3.02Å; E182-R186 VanDerWaalsContact O-CD 3.31Å; E182-R186 WeakPolarHBondContact O-CD 3.42Å; E182-R186 PolarHBondContact O-NE 3.25Å; E182-R186 IonicContact OE1-CZ 3.56Å; E182-R186 IonicContact OE1-NH1 2.79Å; E182-R186 PolarHBondContact OE1-NH1 2.99Å; E182-R186 IonicContact OE1-NH2 3.44Å; E182-R186 IonicContact OE2-CZ 3.62Å; E182-R186 IonicContact OE2-NH1 3.25Å; E182-R186 PolarHBondContact OE2-NH1 3.22Å; D184-R186 VanDerWaalsContact C-N 3.3Å; D184-R186 PolarHBondContact O-N 3.43Å; D184-R186 VanDerWaalsContact O-N 3.14Å; R186-W257 HydrophobicContact CB-CD2 3.67Å; R186-W257 HydrophobicContact CB-CE3 3.65Å; R186-W257 HydrophobicContact CB-CG 4.21Å; R186-W257 HydrophobicContact CB-CH2 4.18Å; R186-W257 HydrophobicContact CB-CZ2 4.18Å; R186-W257 HydrophobicContact CB-CZ3 3.93Å
187	H	97.6	Very high	97.7	Very high	113 Å²	113	35.6 Å²	35.6	52%	0.523	18%	0.183	S	C	.	.	H	α-helix	trans	-91.1	-14.8	179.7	-62.1	-64.9	0	0	0	113.3	D184 I185	D184-H187 WeakPolarHBondContact O-CB 3.48Å; D184-H187 PolarHBondContact O-N 2.81Å; I185-H187 PolarHBondContact O-N 3.14Å
188	H	95.8	Very high	97.5	Very high	113 Å²	113	36.1 Å²	36.1	52%	0.523	19%	0.186	S	C	.	.	H	α-helix	trans	-130.3	-25.1	-169	-58.3	-57.9	0	0	0	114.2	S99 D184 I185	S99-H188 PolarHBondContact OG-O 2.97Å; S99-H188 VanDerWaalsContact OG-O 3.09Å; D184-H188 PolarHBondContact O-CD2 3.41Å; D184-H188 VanDerWaalsContact O-CD2 3.29Å; D184-H188 IonicContact OD1-CD2 3.61Å; D184-H188 IonicContact OD1-NE2 3.92Å; D184-H188 IonicContact OD2-CD2 2.92Å; I185-H188 PolarHBondContact O-N 3.25Å
189	A	98	Very high	97.4	Very high	8 Å²	8	35.9 Å²	35.9	7%	0.066	18%	0.184	C	C	.	.			trans	-119.4	141.7	-178.7	0	0	0	0	0	112	S99 A101 I185	S99-A189 VanDerWaalsContact OG-CA 3.31Å; S99-A189 WeakPolarHBondContact OG-CA 3.32Å; A101-A189 HydrophobicContact CB-CB 3.81Å; I185-A189 HydrophobicContact CG2-CB 3.61Å; I185-A189 PolarHBondContact O-N 3.22Å
190	T	98.3	Very high	97.4	Very high	49 Å²	49	34.3 Å²	34.3	30%	0.301	18%	0.177	S	C	.	.	S	Bend	trans	-80.1	-35.9	170.9	60.3	0	0	0	0	112.3	S99 W257	S99-T190 PolarHBondContact N-OG1 3.19Å; S99-T190 PolarHBondContact O-N 3.23Å; S99-T190 PolarHBondContact O-OG1 2.98Å; S99-T190 PolarHBondContact OG-N 3.43Å; T190-W257 PolarHBondContact O-N 3.43Å
191	H	98.7	Very high	97.5	Very high	27 Å²	27	34.1 Å²	34.1	13%	0.125	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	158.1	-175.2	-63.3	79.5	0	0	0	111	S99 V100 A101 L210 G211 G255	S99-H191 PolarHBondContact O-N 3.25Å; V100-H191 WeakPolarHBondContact CA-O 3.45Å; V100-H191 HydrophobicContact CG2-CB 4.48Å; A101-H191 PolarHBondContact N-O 2.83Å; H191-L210 HydrophobicContact CB-CD2 3.75Å; H191-G211 PolarHBondContact CD2-O 3.48Å; H191-G255 CarbonylContact C-O 3.53Å; H191-G255 WeakPolarHBondContact CA-O 3.21Å; H191-G255 VanDerWaalsContact CB-O 3.29Å; H191-G255 WeakPolarHBondContact CB-O 3.3Å
192	V	98.9	Very high	97.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	135.9	176.5	-169.9	0	0	0	0	108.7	A101 T103 I181 I185 G254 G255 W257 V260	A101-V192 HydrophobicContact CB-CG1 4.4Å; A101-V192 HydrophobicContact CB-CG2 4.34Å; A101-V192 CarbonylContact O-C 3.57Å; A101-V192 VanDerWaalsContact O-CA 3.3Å; A101-V192 WeakPolarHBondContact O-CA 3.29Å; T103-V192 HydrophobicContact CG2-CG1 3.99Å; I181-V192 HydrophobicContact CD1-CG1 4.48Å; I181-V192 HydrophobicContact CD1-CG2 4.33Å; I181-V192 HydrophobicContact CG1-CG2 4.34Å; I185-V192 HydrophobicContact CD1-CG1 4.39Å; I185-V192 HydrophobicContact CG2-CG2 3.6Å; V192-G254 CarbonylContact O-C 3.42Å; V192-G254 WeakPolarHBondContact O-CA 3.21Å; V192-G255 PolarHBondContact N-O 3.48Å; V192-G255 PolarHBondContact O-N 2.83Å; V192-W257 HydrophobicContact CG2-CB 3.91Å; V192-V260 HydrophobicContact CB-CB 4.22Å; V192-V260 HydrophobicContact CB-CG1 4.18Å; V192-V260 HydrophobicContact CB-CG2 4.09Å; V192-V260 HydrophobicContact CG1-CG1 4.24Å
193	F	98.8	Very high	97.4	Very high	1 Å²	1	33.8 Å²	33.8	0%	0.004	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	136.3	163.7	-88.8	-80.9	0	0	0	109.5	V100 A101 L102 T103 F126 M127 F195 F205 A209 L210 V214 I252 L302	V100-F193 HydrophobicContact CG1-CD2 4.09Å; A101-F193 PolarHBondContact O-N 2.87Å; L102-F193 CarbonylContact C-O 3.49Å; L102-F193 WeakPolarHBondContact CA-O 3.46Å; T103-F193 PolarHBondContact N-O 2.87Å; T103-F193 PolarHBondContact OG1-O 2.76Å; F126-F193 HydrophobicContact CE2-CB 4.47Å; F126-F193 HydrophobicContact CE2-CD2 4.27Å; F126-F193 HydrophobicContact CE2-CG 4.47Å; F126-F193 HydrophobicContact CZ-CB 4.18Å; F126-F193 HydrophobicContact CZ-CD2 4.13Å; F126-F193 HydrophobicContact CZ-CG 4.44Å; M127-F193 HydrophobicContact CE-CD2 4.04Å; M127-F193 HydrophobicContact CE-CE2 3.56Å; M127-F193 HydrophobicContact CE-CZ 4.45Å; F193-F195 HydrophobicContact CB-CD2 4.11Å; F193-F195 HydrophobicContact CB-CE2 3.44Å; F193-F195 VanDerWaalsContact CB-CE2 3.44Å; F193-F195 HydrophobicContact CB-CZ 4.22Å; F193-F195 HydrophobicContact CD1-CE2 4.46Å; F193-F195 HydrophobicContact CD1-CZ 4.48Å; F193-F195 HydrophobicContact CG-CE2 4.18Å; F193-F205 HydrophobicContact CD1-CE1 4.44Å; F193-F205 HydrophobicContact CD1-CZ 4.25Å; F193-F205 HydrophobicContact CE1-CE1 4.09Å; F193-F205 AromaticContact CE1-CZ 3.95Å; F193-F205 HydrophobicContact CE1-CZ 3.95Å; F193-F205 HydrophobicContact CE2-CE1 4.15Å; F193-F205 AromaticContact CZ-CE1 3.93Å; F193-F205 HydrophobicContact CZ-CE1 3.93Å; F193-F205 HydrophobicContact CZ-CZ 4.24Å; F193-A209 HydrophobicContact CE2-CB 4.39Å; F193-A209 HydrophobicContact CZ-CB 3.83Å; F193-A209 WeakPolarHBondContact CZ-O 3.36Å; F193-L210 HydrophobicContact CD2-CD2 4.35Å; F193-L210 HydrophobicContact CE2-CD2 3.68Å; F193-V214 HydrophobicContact CE1-CB 4.29Å; F193-V214 HydrophobicContact CE1-CG1 3.93Å; F193-V214 HydrophobicContact CZ-CB 4.45Å; F193-V214 HydrophobicContact CZ-CG1 4.12Å; F193-V214 HydrophobicContact CZ-CG2 4.33Å; F193-I252 HydrophobicContact CD1-CG2 4.09Å; F193-I252 HydrophobicContact CE1-CG2 4.44Å; F193-L302 HydrophobicContact CE1-CD1 4.25Å
194	C	98.6	Very high	97.5	Very high	4 Å²	4	33.2 Å²	33.2	3%	0.027	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	129.5	177.9	-49.8	0	0	0	0	108.7	T103 I177 I252 F253	T103-C194 WeakPolarHBondContact OG1-CA 3.16Å; T103-C194 VanDerWaalsContact OG1-CB 3.29Å; T103-C194 WeakPolarHBondContact OG1-CB 3.28Å; T103-C194 PolarHBondContact OG1-SG 3.04Å; I177-C194 HydrophobicContact CD1-CB 4.15Å; C194-I252 WeakPolarHBondContact O-CA 3.22Å; C194-F253 HydrophobicContact CB-CD1 4.1Å; C194-F253 HydrophobicContact CB-CD2 4.22Å; C194-F253 HydrophobicContact CB-CE1 3.63Å; C194-F253 HydrophobicContact CB-CE2 3.77Å; C194-F253 HydrophobicContact CB-CG 4.37Å; C194-F253 HydrophobicContact CB-CZ 3.45Å; C194-F253 VanDerWaalsContact CB-CZ 3.45Å; C194-F253 PolarHBondContact N-O 3.04Å; C194-F253 PolarHBondContact O-N 2.72Å; C194-F253 WeakPolarHBondContact SG-CE2 3.49Å
195	F	98.3	Very high	97.5	Very high	6 Å²	6	31.4 Å²	31.4	3%	0.026	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	146.3	-178	-69	-98.5	0	0	0	111.6	L102 T103 F118 F126 F193 F201 F205 A251 I252 L323	L102-F195 HydrophobicContact CD1-CD2 3.82Å; L102-F195 HydrophobicContact CD1-CE2 3.66Å; L102-F195 HydrophobicContact CD2-CD2 4.08Å; L102-F195 HydrophobicContact CG-CD2 3.66Å; L102-F195 HydrophobicContact CG-CE2 3.84Å; T103-F195 PolarHBondContact O-N 2.95Å; F118-F195 HydrophobicContact CE2-CB 3.93Å; F118-F195 HydrophobicContact CE2-CD1 4.37Å; F118-F195 HydrophobicContact CE2-CG 4.29Å; F118-F195 HydrophobicContact CZ-CB 3.65Å; F118-F195 HydrophobicContact CZ-CD1 4.36Å; F118-F195 HydrophobicContact CZ-CD2 4.4Å; F118-F195 AromaticContact CZ-CG 3.93Å; F118-F195 HydrophobicContact CZ-CG 3.93Å; F126-F195 HydrophobicContact CD2-CE2 4.4Å; F126-F195 HydrophobicContact CD2-CZ 4.12Å; F126-F195 AromaticContact CE2-CE2 3.79Å; F126-F195 HydrophobicContact CE2-CE2 3.79Å; F126-F195 AromaticContact CE2-CZ 3.74Å; F126-F195 HydrophobicContact CE2-CZ 3.74Å; F126-F195 HydrophobicContact CZ-CE2 4.16Å; F193-F195 HydrophobicContact CB-CD2 4.11Å; F193-F195 HydrophobicContact CB-CE2 3.44Å; F193-F195 VanDerWaalsContact CB-CE2 3.44Å; F193-F195 HydrophobicContact CB-CZ 4.22Å; F193-F195 HydrophobicContact CD1-CE2 4.46Å; F193-F195 HydrophobicContact CD1-CZ 4.48Å; F193-F195 HydrophobicContact CG-CE2 4.18Å; F195-F201 HydrophobicContact CD1-CZ 4.15Å; F195-F201 HydrophobicContact CE1-CE1 4.11Å; F195-F201 AromaticContact CE1-CZ 3.61Å; F195-F201 HydrophobicContact CE1-CZ 3.61Å; F195-F201 HydrophobicContact CE2-CZ 4.42Å; F195-F201 HydrophobicContact CZ-CE1 4.22Å; F195-F201 AromaticContact CZ-CZ 3.78Å; F195-F201 HydrophobicContact CZ-CZ 3.78Å; F195-F205 HydrophobicContact CE1-CD2 4.5Å; F195-F205 AromaticContact CE1-CE2 3.88Å; F195-F205 HydrophobicContact CE1-CE2 3.88Å; F195-F205 HydrophobicContact CE1-CZ 4.21Å; F195-F205 HydrophobicContact CZ-CD2 4.46Å; F195-F205 HydrophobicContact CZ-CE1 4.3Å; F195-F205 AromaticContact CZ-CE2 3.86Å; F195-F205 HydrophobicContact CZ-CE2 3.86Å; F195-F205 AromaticContact CZ-CZ 3.78Å; F195-F205 HydrophobicContact CZ-CZ 3.78Å; F195-A251 CarbonylContact C-O 3.51Å; F195-A251 VanDerWaalsContact CA-O 3.29Å; F195-A251 WeakPolarHBondContact CA-O 3.43Å; F195-I252 HydrophobicContact CD1-CD1 4.01Å; F195-I252 HydrophobicContact CD1-CG1 3.78Å; F195-I252 HydrophobicContact CD1-CG2 4.19Å; F195-I252 HydrophobicContact CE1-CD1 3.78Å; F195-I252 HydrophobicContact CE1-CG1 3.98Å; F195-I252 HydrophobicContact CE1-CG2 3.87Å; F195-I252 HydrophobicContact CZ-CG2 4.2Å; F195-L323 HydrophobicContact CD1-CD2 4.08Å; F195-L323 HydrophobicContact CE1-CD2 3.95Å
196	D	94.8	Very high	97.5	Very high	39 Å²	39	31.5 Å²	31.5	21%	0.209	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	144.3	155.8	-71.9	-14.3	0	0	0	109.8	R173 D198 A251	R173-D196 IonicContact CZ-OD1 3.46Å; R173-D196 IonicContact NH1-OD1 2.98Å; R173-D196 PolarHBondContact NH1-OD1 3.21Å; R173-D196 IonicContact NH2-OD1 3.62Å; D196-D198 VanDerWaalsContact C-N 3.34Å; D196-D198 PolarHBondContact O-N 2.98Å; D196-A251 HydrophobicContact CB-CB 3.96Å; D196-A251 PolarHBondContact N-O 3.13Å; D196-A251 WeakPolarHBondContact OD2-CA 3.49Å; D196-A251 WeakPolarHBondContact OD2-CB 3.04Å
197	V	94.8	Very high	97.5	Very high	6 Å²	6	27.3 Å²	27.3	4%	0.036	14%	0.141	C	C	.	.	S	Bend	trans	-74.1	-22.1	-175.3	70.5	0	0	0	0	113.8	V104 F105 A106 Y110 Y114 L115 F118 Q199	V104-V197 HydrophobicContact CG2-CB 3.56Å; V104-V197 HydrophobicContact CG2-CG2 3.8Å; F105-V197 WeakPolarHBondContact O-CB 3.31Å; F105-V197 VanDerWaalsContact O-CG1 3.27Å; F105-V197 WeakPolarHBondContact O-CG1 3.29Å; A106-V197 HydrophobicContact CB-CG2 4.17Å; Y110-V197 HydrophobicContact CD1-CG1 4.12Å; Y114-V197 WeakPolarHBondContact CB-O 3.36Å; Y114-V197 HydrophobicContact CD2-CG1 4.33Å; L115-V197 HydrophobicContact CB-CG2 4.2Å; L115-V197 HydrophobicContact CD1-CG2 4.09Å; F118-V197 HydrophobicContact CB-CG2 4.19Å; F118-V197 HydrophobicContact CG-CG2 4.4Å; V197-Q199 PolarHBondContact O-N 3.09Å
198	D	93.1	Very high	97.5	Very high	12 Å²	12	21.9 Å²	21.9	6%	0.064	12%	0.116	C	C	.	.	S	Bend	trans	-85.4	50.2	-170.6	64	-4.2	0	0	0	112.6	Y110 Y114 D196 A326 K328	Y110-D198 HydrophobicContact CE1-CB 4.5Å; Y114-D198 HydrophobicContact CD1-CB 4.33Å; Y114-D198 HydrophobicContact CD2-CB 3.74Å; Y114-D198 HydrophobicContact CE1-CB 4.34Å; Y114-D198 HydrophobicContact CE2-CB 3.71Å; Y114-D198 HydrophobicContact CG-CB 4.04Å; D196-D198 VanDerWaalsContact C-N 3.34Å; D196-D198 PolarHBondContact O-N 2.98Å; D198-A326 VanDerWaalsContact C-CB 3.49Å; D198-A326 VanDerWaalsContact O-CB 3.31Å; D198-A326 WeakPolarHBondContact O-CB 3.2Å; D198-A326 PolarHBondContact O-N 2.71Å; D198-K328 PolarHBondContact O-NZ 3.02Å; D198-K328 IonicContact OD1-NZ 3.5Å; D198-K328 PolarHBondContact OD1-NZ 2.83Å; D198-K328 IonicContact OD2-NZ 3.57Å; D198-K328 PolarHBondContact OD2-NZ 3.28Å
199	Q	95.6	Very high	97.6	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.009	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	157.7	-173.9	-57.1	177.9	4	0	0	110.9	F118 V197 L323 L324	F118-Q199 HydrophobicContact CD2-CB 4.44Å; F118-Q199 WeakPolarHBondContact CD2-O 3.45Å; V197-Q199 PolarHBondContact O-N 3.09Å; Q199-L323 HydrophobicContact CB-CD1 4.13Å; Q199-L323 HydrophobicContact CB-CD2 4.25Å; Q199-L323 HydrophobicContact CB-CG 4.09Å; Q199-L324 CarbonylContact C-O 3.49Å; Q199-L324 VanDerWaalsContact CA-O 3.22Å; Q199-L324 WeakPolarHBondContact CA-O 3.38Å
200	V	97.9	Very high	97.6	Very high	40 Å²	40	16.2 Å²	16.2	24%	0.242	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	124.7	-178.9	-174.1	0	0	0	0	110.4	T117 L323 L324 A326	T117-V200 HydrophobicContact CG2-CG1 4.06Å; T117-V200 HydrophobicContact CG2-CG2 3.73Å; V200-L323 VanDerWaalsContact C-CD1 3.48Å; V200-L323 WeakPolarHBondContact O-CA 3.21Å; V200-L324 PolarHBondContact N-O 3.12Å; V200-L324 PolarHBondContact O-N 2.98Å; V200-A326 HydrophobicContact CG2-CB 4.31Å
201	F	98.6	Very high	97.5	Very high	4 Å²	4	14.2 Å²	14.2	2%	0.018	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	133.5	175.3	-66.9	-99.3	0	0	0	109.6	F118 S121 H125 F126 F195 F205 R322 L323	F118-F201 HydrophobicContact CD2-CE2 4.28Å; F118-F201 HydrophobicContact CE1-CE2 4.41Å; F118-F201 AromaticContact CE2-CE2 3.7Å; F118-F201 HydrophobicContact CE2-CE2 3.7Å; F118-F201 HydrophobicContact CE2-CZ 4.47Å; F118-F201 AromaticContact CZ-CE2 3.76Å; F118-F201 HydrophobicContact CZ-CE2 3.76Å; F118-F201 HydrophobicContact CZ-CZ 4.37Å; S121-F201 WeakPolarHBondContact CB-O 3.46Å; S121-F201 PolarHBondContact OG-N 3.42Å; S121-F201 VanDerWaalsContact OG-N 3.1Å; H125-F201 HydrophobicContact CB-CB 3.75Å; H125-F201 HydrophobicContact CB-CD1 4.31Å; H125-F201 HydrophobicContact CB-CG 4.36Å; H125-F201 PolarHBondContact CD2-O 3.2Å; F126-F201 HydrophobicContact CB-CD1 4.4Å; F126-F201 HydrophobicContact CB-CE1 4.01Å; F126-F201 HydrophobicContact CB-CZ 4.24Å; F126-F201 AromaticContact CD2-CE1 3.87Å; F126-F201 HydrophobicContact CD2-CE1 3.87Å; F126-F201 HydrophobicContact CD2-CZ 4.09Å; F126-F201 HydrophobicContact CG-CE1 4.33Å; F126-F201 HydrophobicContact CG-CZ 4.4Å; F195-F201 HydrophobicContact CD1-CZ 4.15Å; F195-F201 HydrophobicContact CE1-CE1 4.11Å; F195-F201 AromaticContact CE1-CZ 3.61Å; F195-F201 HydrophobicContact CE1-CZ 3.61Å; F195-F201 HydrophobicContact CE2-CZ 4.42Å; F195-F201 HydrophobicContact CZ-CE1 4.22Å; F195-F201 AromaticContact CZ-CZ 3.78Å; F195-F201 HydrophobicContact CZ-CZ 3.78Å; F201-F205 HydrophobicContact CD1-CB 4.02Å; F201-F205 HydrophobicContact CD1-CD2 4.36Å; F201-F205 HydrophobicContact CE1-CB 3.89Å; F201-F205 AromaticContact CE1-CD2 3.74Å; F201-F205 HydrophobicContact CE1-CD2 3.74Å; F201-F205 AromaticContact CE1-CG 3.95Å; F201-F205 HydrophobicContact CE1-CG 3.95Å; F201-R322 WeakPolarHBondContact CA-O 3.42Å; F201-L323 HydrophobicContact CB-CD1 4.09Å; F201-L323 HydrophobicContact CD1-CD1 3.59Å; F201-L323 HydrophobicContact CD2-CD1 3.47Å; F201-L323 VanDerWaalsContact CD2-CD1 3.47Å; F201-L323 HydrophobicContact CE1-CD1 3.78Å; F201-L323 HydrophobicContact CE2-CD1 3.67Å; F201-L323 HydrophobicContact CG-CD1 3.42Å; F201-L323 VanDerWaalsContact CG-CD1 3.42Å; F201-L323 HydrophobicContact CZ-CD1 3.82Å
202	T	98.3	Very high	97.4	Very high	64 Å²	64	17 Å²	17	39%	0.393	9%	0.093	S	C	.	.			trans	-131.3	-9.1	-177.1	46.6	0	0	0	0	112.9	Y321 R322 L324	T202-Y321 PolarHBondContact OG1-O 3.47Å; T202-R322 PolarHBondContact N-O 2.82Å; T202-L324 HydrophobicContact CG2-CD1 3.89Å; T202-L324 HydrophobicContact CG2-CG 4.16Å
203	G	97.9	Very high	97.4	Very high	11 Å²	11	17.6 Å²	17.6	11%	0.113	10%	0.098	C	C	.	.	S	Bend	trans	-155.1	170.3	178.2	0	0	0	0	0	110.7	H125 F205 Y321 R322	H125-G203 WeakPolarHBondContact CB-O 3.49Å; G203-F205 PolarHBondContact O-N 3.01Å; G203-Y321 PolarHBondContact N-O 2.89Å; G203-R322 PolarHBondContact N-O 2.93Å
204	R	98.1	Very high	97.4	Very high	73 Å²	73	17.5 Å²	17.5	28%	0.275	10%	0.097	S	C	.	.			trans	-51.3	127.1	-176.9	176	-177.1	169.6	106	-0.5	111.6	P86 D90 E208 R322	P86-R204 PolarHBondContact O-NH2 2.67Å; D90-R204 VanDerWaalsContact CG-NH2 3.31Å; D90-R204 IonicContact OD1-CZ 3.14Å; D90-R204 IonicContact OD1-NH1 2.73Å; D90-R204 PolarHBondContact OD1-NH1 2.83Å; D90-R204 IonicContact OD1-NH2 3.52Å; D90-R204 PolarHBondContact OD1-NH2 2.98Å; D90-R204 IonicContact OD2-CZ 3.51Å; D90-R204 IonicContact OD2-NH1 3.41Å; D90-R204 PolarHBondContact OD2-NH1 2.84Å; D90-R204 IonicContact OD2-NH2 3.6Å; D90-R204 PolarHBondContact OD2-NH2 2.87Å; R204-E208 IonicContact CZ-OE2 3.24Å; R204-E208 IonicContact NE-OE1 3.4Å; R204-E208 PolarHBondContact NE-OE1 3.16Å; R204-E208 IonicContact NE-OE2 2.61Å; R204-E208 PolarHBondContact NE-OE2 3.49Å; R204-E208 VanDerWaalsContact NE-OE2 3.14Å; R204-E208 IonicContact NH2-OE2 3.45Å; R204-E208 PolarHBondContact NH2-OE2 2.53Å; R204-R322 WeakPolarHBondContact O-CD 3.27Å; R204-R322 WeakPolarHBondContact O-CG 3.39Å; R204-R322 PolarHBondContact O-NH1 2.59Å
205	F	98.7	Very high	97.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.096	C	C	.	.	B	Isolated β-bridge	trans	-121.3	87	165.5	-166.8	-56.3	0	0	0	107.3	H125 F126 M127 F193 F195 F201 G203 A209 I252 L302 Y306	H125-F205 PolarHBondContact O-N 2.73Å; F126-F205 CarbonylContact C-O 3.6Å; F126-F205 WeakPolarHBondContact CA-O 3.24Å; F126-F205 HydrophobicContact CD2-CB 4.21Å; F126-F205 AromaticContact CD2-CD1 3.62Å; F126-F205 HydrophobicContact CD2-CD1 3.62Å; F126-F205 HydrophobicContact CD2-CE1 4.17Å; F126-F205 AromaticContact CD2-CG 3.95Å; F126-F205 HydrophobicContact CD2-CG 3.95Å; F126-F205 AromaticContact CE2-CD1 3.68Å; F126-F205 HydrophobicContact CE2-CD1 3.68Å; F126-F205 AromaticContact CE2-CE1 3.78Å; F126-F205 HydrophobicContact CE2-CE1 3.78Å; F126-F205 HydrophobicContact CE2-CG 4.4Å; M127-F205 HydrophobicContact CE-CD1 4.03Å; M127-F205 HydrophobicContact CE-CE1 4.04Å; M127-F205 PolarHBondContact N-O 3.29Å; F193-F205 HydrophobicContact CD1-CE1 4.44Å; F193-F205 HydrophobicContact CD1-CZ 4.25Å; F193-F205 HydrophobicContact CE1-CE1 4.09Å; F193-F205 AromaticContact CE1-CZ 3.95Å; F193-F205 HydrophobicContact CE1-CZ 3.95Å; F193-F205 HydrophobicContact CE2-CE1 4.15Å; F193-F205 AromaticContact CZ-CE1 3.93Å; F193-F205 HydrophobicContact CZ-CE1 3.93Å; F193-F205 HydrophobicContact CZ-CZ 4.24Å; F195-F205 HydrophobicContact CE1-CD2 4.5Å; F195-F205 AromaticContact CE1-CE2 3.88Å; F195-F205 HydrophobicContact CE1-CE2 3.88Å; F195-F205 HydrophobicContact CE1-CZ 4.21Å; F195-F205 HydrophobicContact CZ-CD2 4.46Å; F195-F205 HydrophobicContact CZ-CE1 4.3Å; F195-F205 AromaticContact CZ-CE2 3.86Å; F195-F205 HydrophobicContact CZ-CE2 3.86Å; F195-F205 AromaticContact CZ-CZ 3.78Å; F195-F205 HydrophobicContact CZ-CZ 3.78Å; F201-F205 HydrophobicContact CD1-CB 4.02Å; F201-F205 HydrophobicContact CD1-CD2 4.36Å; F201-F205 HydrophobicContact CE1-CB 3.89Å; F201-F205 AromaticContact CE1-CD2 3.74Å; F201-F205 HydrophobicContact CE1-CD2 3.74Å; F201-F205 AromaticContact CE1-CG 3.95Å; F201-F205 HydrophobicContact CE1-CG 3.95Å; G203-F205 PolarHBondContact O-N 3.01Å; F205-A209 HydrophobicContact CD1-CB 4.04Å; F205-A209 HydrophobicContact CE1-CB 3.5Å; F205-A209 HydrophobicContact CZ-CB 4.16Å; F205-I252 HydrophobicContact CE2-CD1 4.35Å; F205-I252 HydrophobicContact CZ-CG2 4.45Å; F205-L302 HydrophobicContact CZ-CD1 3.96Å; F205-Y306 AromaticContact CD2-CD1 3.67Å; F205-Y306 HydrophobicContact CD2-CD1 3.67Å; F205-Y306 HydrophobicContact CD2-CE1 4.32Å; F205-Y306 HydrophobicContact CE1-CD1 4.49Å; F205-Y306 AromaticContact CE2-CD1 3.61Å; F205-Y306 HydrophobicContact CE2-CD1 3.61Å; F205-Y306 HydrophobicContact CE2-CE1 4.46Å; F205-Y306 HydrophobicContact CE2-CG 4.47Å; F205-Y306 HydrophobicContact CG-CD1 4.17Å; F205-Y306 HydrophobicContact CG-CE1 4.36Å; F205-Y306 HydrophobicContact CZ-CD1 4.03Å
206	G	98.4	Very high	97.4	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.01	10%	0.095	C	C	.	.			trans	-108.8	-169	-170.4	0	0	0	0	0	115.1	M127 E208 A209	M127-G206 VanDerWaalsContact CE-O 3.32Å; M127-G206 WeakPolarHBondContact CE-O 3.31Å; G206-E208 VanDerWaalsContact C-CD 3.44Å; G206-E208 VanDerWaalsContact CA-CD 3.45Å; G206-E208 WeakPolarHBondContact CA-OE1 3.25Å; G206-E208 WeakPolarHBondContact CA-OE2 3.35Å; G206-E208 PolarHBondContact N-OE1 2.69Å; G206-E208 PolarHBondContact O-N 3.07Å; G206-A209 WeakPolarHBondContact O-CB 3.24Å; G206-A209 PolarHBondContact O-N 2.87Å
207	P	97.9	Very high	97.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-60.6	-15.9	-177.7	-25.4	37.4	0	0	0	114.7	D90 H93 M127 S129 L130 A209 L210	D90-P207 WeakPolarHBondContact OD1-CD 3.46Å; D90-P207 WeakPolarHBondContact OD1-CG 3.34Å; H93-P207 HydrophobicContact CB-CB 3.86Å; H93-P207 HydrophobicContact CB-CG 4.33Å; H93-P207 VanDerWaalsContact CD2-CB 3.46Å; H93-P207 WeakPolarHBondContact CD2-CB 3.44Å; M127-P207 HydrophobicContact SD-CG 4.27Å; S129-P207 WeakPolarHBondContact OG-CG 3.3Å; L130-P207 HydrophobicContact CD1-CB 4.17Å; L130-P207 HydrophobicContact CD1-CG 3.68Å; L130-P207 HydrophobicContact CD2-CG 4.46Å; L130-P207 HydrophobicContact CG-CG 3.89Å; P207-A209 PolarHBondContact O-N 3.46Å; P207-A209 VanDerWaalsContact O-N 3.12Å; P207-L210 HydrophobicContact CB-CD1 3.95Å; P207-L210 WeakPolarHBondContact O-CB 3.47Å; P207-L210 PolarHBondContact O-N 3.42Å
208	E	98	Very high	97.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-56.1	-19.4	166.6	66.4	-88.9	-170.7	0	0	113.8	I79 F84 Y89 R204 G206 R300 Y306	I79-E208 HydrophobicContact CG2-CB 4.49Å; I79-E208 HydrophobicContact CG2-CG 4.44Å; F84-E208 HydrophobicContact CD1-CB 4.23Å; F84-E208 HydrophobicContact CD1-CG 4.48Å; F84-E208 HydrophobicContact CD2-CB 3.63Å; F84-E208 HydrophobicContact CD2-CG 3.99Å; F84-E208 HydrophobicContact CE1-CB 4.23Å; F84-E208 HydrophobicContact CE1-CG 3.97Å; F84-E208 HydrophobicContact CE2-CB 3.63Å; F84-E208 VanDerWaalsContact CE2-CD 3.5Å; F84-E208 HydrophobicContact CE2-CG 3.41Å; F84-E208 VanDerWaalsContact CE2-CG 3.41Å; F84-E208 HydrophobicContact CG-CB 3.96Å; F84-E208 HydrophobicContact CG-CG 4.5Å; F84-E208 HydrophobicContact CZ-CB 3.96Å; F84-E208 HydrophobicContact CZ-CG 3.42Å; F84-E208 VanDerWaalsContact CZ-CG 3.42Å; Y89-E208 VanDerWaalsContact CD1-CA 3.43Å; Y89-E208 HydrophobicContact CD1-CB 4.08Å; Y89-E208 HydrophobicContact CD2-CB 4.46Å; Y89-E208 HydrophobicContact CE1-CB 4.38Å; Y89-E208 HydrophobicContact CG-CB 4.11Å; R204-E208 IonicContact CZ-OE2 3.24Å; R204-E208 IonicContact NE-OE1 3.4Å; R204-E208 PolarHBondContact NE-OE1 3.16Å; R204-E208 IonicContact NE-OE2 2.61Å; R204-E208 PolarHBondContact NE-OE2 3.49Å; R204-E208 VanDerWaalsContact NE-OE2 3.14Å; R204-E208 IonicContact NH2-OE2 3.45Å; R204-E208 PolarHBondContact NH2-OE2 2.53Å; G206-E208 VanDerWaalsContact C-CD 3.44Å; G206-E208 VanDerWaalsContact CA-CD 3.45Å; G206-E208 WeakPolarHBondContact CA-OE1 3.25Å; G206-E208 WeakPolarHBondContact CA-OE2 3.35Å; G206-E208 PolarHBondContact N-OE1 2.69Å; G206-E208 PolarHBondContact O-N 3.07Å; E208-R300 PolarHBondContact O-NH1 2.76Å; E208-Y306 WeakPolarHBondContact CG-OH 3.43Å
209	A	98.2	Very high	98	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-85.5	-11.9	175.5	0	0	0	0	0	112.7	M127 F193 F205 G206 P207 V214 R300 L302 Y306	M127-A209 HydrophobicContact CE-CB 4.31Å; F193-A209 HydrophobicContact CE2-CB 4.39Å; F193-A209 HydrophobicContact CZ-CB 3.83Å; F193-A209 WeakPolarHBondContact CZ-O 3.36Å; F205-A209 HydrophobicContact CD1-CB 4.04Å; F205-A209 HydrophobicContact CE1-CB 3.5Å; F205-A209 HydrophobicContact CZ-CB 4.16Å; G206-A209 WeakPolarHBondContact O-CB 3.24Å; G206-A209 PolarHBondContact O-N 2.87Å; P207-A209 PolarHBondContact O-N 3.46Å; P207-A209 VanDerWaalsContact O-N 3.12Å; A209-V214 WeakPolarHBondContact O-CG2 3.25Å; A209-R300 VanDerWaalsContact O-CD 3.29Å; A209-R300 WeakPolarHBondContact O-CD 3.21Å; A209-L302 HydrophobicContact CB-CD1 4.25Å; A209-L302 HydrophobicContact CB-CD2 3.84Å; A209-Y306 HydrophobicContact CB-CE1 4.06Å
210	L	98	Very high	97.9	Very high	1 Å²	1	16.1 Å²	16.1	1%	0.005	9%	0.089	C	C	.	.			trans	-78	129.2	-174	-64	172.8	0	0	0	112.3	N54 H93 V100 M127 L130 H191 F193 P207 R300	N54-L210 PolarHBondContact ND2-O 2.03Å; N54-L210 VanDerWaalsContact ND2-O 3.14Å; H93-L210 WeakPolarHBondContact ND1-CD1 3.33Å; V100-L210 HydrophobicContact CG2-CD1 4.41Å; V100-L210 HydrophobicContact CG2-CD2 4.03Å; M127-L210 HydrophobicContact CE-CD2 3.8Å; M127-L210 HydrophobicContact CE-CG 3.93Å; M127-L210 HydrophobicContact SD-CD1 4.47Å; M127-L210 HydrophobicContact SD-CG 4.41Å; L130-L210 HydrophobicContact CD1-CD1 3.73Å; H191-L210 HydrophobicContact CB-CD2 3.75Å; F193-L210 HydrophobicContact CD2-CD2 4.35Å; F193-L210 HydrophobicContact CE2-CD2 3.68Å; P207-L210 HydrophobicContact CB-CD1 3.95Å; P207-L210 WeakPolarHBondContact O-CB 3.47Å; P207-L210 PolarHBondContact O-N 3.42Å; L210-R300 PolarHBondContact O-NE 3.37Å; L210-R300 PolarHBondContact O-NH2 3.28Å
211	G	96.4	Very high	97.8	Very high	7 Å²	7	14.7 Å²	14.7	7%	0.072	8%	0.08	C	C	.	.			trans	-146.5	178.8	169.7	0	0	0	0	0	110.1	H191 G255 S256	H191-G211 PolarHBondContact CD2-O 3.48Å; G211-G255 CarbonylContact O-C 3.37Å; G211-G255 VanDerWaalsContact O-CA 3.28Å; G211-G255 WeakPolarHBondContact O-CA 3.42Å; G211-S256 PolarHBondContact O-N 3.01Å
212	D	97.1	Very high	97.7	Very high	85 Å²	85	15.4 Å²	15.4	46%	0.455	8%	0.082	S	C	.	.	S	Bend	trans	-69.1	-39.4	175	-178.7	66.1	0	0	0	111.4	G255 S256 S259 S299	D212-G255 CarbonylContact O-C 3.48Å; D212-G255 WeakPolarHBondContact O-CA 3.12Å; D212-S256 PolarHBondContact O-N 3.38Å; D212-S256 VanDerWaalsContact OD1-CB 3.25Å; D212-S256 WeakPolarHBondContact OD1-CB 3.38Å; D212-S256 PolarHBondContact OD1-OG 3.28Å; D212-S259 VanDerWaalsContact CG-OG 3.26Å; D212-S259 WeakPolarHBondContact O-CB 3.25Å; D212-S259 PolarHBondContact O-OG 3.14Å; D212-S259 PolarHBondContact OD1-OG 2.94Å; D212-S259 PolarHBondContact OD2-OG 2.99Å; D212-S299 PolarHBondContact N-OG 3.34Å
213	S	98.1	Very high	97.6	Very high	13 Å²	13	13 Å²	13	9%	0.091	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	126.6	172.3	175.6	0	0	0	0	108.8	F293 S299 R300	S213-F293 WeakPolarHBondContact OG-CE1 3.43Å; S213-S299 PolarHBondContact N-OG 3.26Å; S213-S299 PolarHBondContact O-N 2.87Å; S213-S299 PolarHBondContact O-OG 2.87Å; S213-R300 PolarHBondContact O-N 3.11Å
214	V	98.8	Very high	97.4	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	124.7	-169.7	-172.7	0	0	0	0	109.9	F193 A209 G254 R300 L302	F193-V214 HydrophobicContact CE1-CB 4.29Å; F193-V214 HydrophobicContact CE1-CG1 3.93Å; F193-V214 HydrophobicContact CZ-CB 4.45Å; F193-V214 HydrophobicContact CZ-CG1 4.12Å; F193-V214 HydrophobicContact CZ-CG2 4.33Å; A209-V214 WeakPolarHBondContact O-CG2 3.25Å; V214-G254 WeakPolarHBondContact CB-O 3.5Å; V214-G254 PolarHBondContact N-O 3.49Å; V214-G254 PolarHBondContact O-N 3.38Å; V214-G254 VanDerWaalsContact O-N 3.07Å; V214-R300 WeakPolarHBondContact CA-O 3.47Å; V214-R300 HydrophobicContact CG2-CB 4.27Å; V214-L302 HydrophobicContact CG1-CD1 3.87Å; V214-L302 HydrophobicContact CG1-CD2 4.08Å; V214-L302 HydrophobicContact CG1-CG 3.72Å
215	A	98.8	Very high	97.1	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	148.5	175.5	0	0	0	0	0	111	Y248 F293 P298 R300 V301 L302	A215-Y248 HydrophobicContact CB-CD1 3.51Å; A215-Y248 HydrophobicContact CB-CE1 3.74Å; A215-Y248 HydrophobicContact CB-CG 4.04Å; A215-F293 HydrophobicContact CB-CD1 4.32Å; A215-F293 HydrophobicContact CB-CD2 3.75Å; A215-F293 HydrophobicContact CB-CE1 4.11Å; A215-F293 HydrophobicContact CB-CE2 3.48Å; A215-F293 VanDerWaalsContact CB-CE2 3.48Å; A215-F293 HydrophobicContact CB-CG 4.17Å; A215-F293 HydrophobicContact CB-CZ 3.68Å; A215-P298 HydrophobicContact CB-CB 3.82Å; A215-P298 HydrophobicContact CB-CG 3.78Å; A215-R300 PolarHBondContact N-O 2.95Å; A215-V301 CarbonylContact O-C 3.56Å; A215-V301 VanDerWaalsContact O-CA 3.29Å; A215-V301 WeakPolarHBondContact O-CA 3.34Å; A215-L302 PolarHBondContact O-N 3.47Å
216	L	98.8	Very high	96.7	Very high	1 Å²	1	19 Å²	19	1%	0.005	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	131.7	175.9	170	68.9	0	0	0	110.6	Y248 H249 I252 L302 S303 C307	L216-Y248 CarbonylContact O-C 3.48Å; L216-Y248 WeakPolarHBondContact O-CA 3.31Å; L216-H249 HydrophobicContact CD2-CB 3.74Å; L216-H249 HydrophobicContact CG-CB 4.13Å; L216-H249 PolarHBondContact O-N 3.02Å; L216-I252 HydrophobicContact CB-CB 4.19Å; L216-I252 WeakPolarHBondContact CB-O 3.26Å; L216-I252 HydrophobicContact CD2-CB 3.72Å; L216-I252 HydrophobicContact CD2-CD1 3.77Å; L216-I252 HydrophobicContact CD2-CG1 3.73Å; L216-L302 HydrophobicContact CD1-CB 4.04Å; L216-S303 WeakPolarHBondContact CD1-O 3.48Å; L216-C307 HydrophobicContact CD1-CB 3.97Å; L216-C307 HydrophobicContact CD2-CB 3.3Å; L216-C307 HydrophobicContact CG-CB 4.22Å
217	L	98.8	Very high	96.4	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.01	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	131.8	167.6	-66	-178.7	0	0	0	110.8	M39 I78 A219 F246 Y248 V301 L302 P304	M39-L217 HydrophobicContact CE-CD1 4.47Å; I78-L217 HydrophobicContact CG2-CD1 3.99Å; L217-A219 PolarHBondContact O-N 2.98Å; L217-F246 HydrophobicContact CD2-CB 3.5Å; L217-F246 HydrophobicContact CD2-CD1 3.61Å; L217-F246 HydrophobicContact CD2-CD2 4.2Å; L217-F246 HydrophobicContact CD2-CE1 4.37Å; L217-F246 HydrophobicContact CD2-CG 3.51Å; L217-Y248 HydrophobicContact CD2-CD1 4.43Å; L217-Y248 HydrophobicContact CD2-CE1 4.35Å; L217-V301 HydrophobicContact CD1-CG1 4.2Å; L217-V301 HydrophobicContact CD2-CG1 3.71Å; L217-V301 HydrophobicContact CG-CG1 3.57Å; L217-L302 PolarHBondContact N-O 2.84Å; L217-P304 HydrophobicContact CB-CG 4.21Å
218	H	98.2	Very high	96.1	Very high	14 Å²	14	30.5 Å²	30.5	7%	0.065	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-74.1	126.1	178.3	-166.2	-49.6	0	0	0	111.6	H220 Y221 Y222 Y247 H249 E286	H218-H220 VanDerWaalsContact C-N 3.31Å; H218-H220 AromaticContact CE1-CD2 3.79Å; H218-H220 PolarHBondContact ND1-N 2.51Å; H218-H220 PolarHBondContact O-N 3.45Å; H218-Y221 HydrophobicContact CB-CD2 3.92Å; H218-Y221 AromaticContact CD2-CD2 3.94Å; H218-Y221 AromaticContact CE1-CD2 3.89Å; H218-Y221 AromaticContact CE1-CE2 3.91Å; H218-Y221 AromaticContact CG-CD2 3.54Å; H218-Y221 AromaticContact ND1-CD2 3.52Å; H218-Y221 AromaticContact NE2-CE2 3.93Å; H218-Y221 PolarHBondContact O-N 3.08Å; H218-Y222 PolarHBondContact O-N 3.49Å; H218-Y222 VanDerWaalsContact O-N 3.07Å; H218-Y247 HydrophobicContact CB-CD1 3.74Å; H218-Y247 HydrophobicContact CB-CE1 4.43Å; H218-Y247 WeakPolarHBondContact CB-O 3.49Å; H218-Y247 AromaticContact CD2-CD1 3.82Å; H218-Y247 AromaticContact CD2-CE1 3.61Å; H218-Y247 AromaticContact CG-CD1 3.96Å; H218-Y247 PolarHBondContact N-O 3.44Å; H218-H249 HydrophobicContact CB-CB 3.86Å; H218-H249 AromaticContact CD2-CD2 3.22Å; H218-H249 PolarHBondContact CD2-CD2 3.29Å; H218-H249 AromaticContact CD2-CG 3.79Å; H218-H249 AromaticContact CG-CD2 3.96Å; H218-H249 AromaticContact NE2-CD2 3.41Å; H218-H249 PolarHBondContact NE2-CD2 2.85Å; H218-H249 AromaticContact NE2-NE2 3.93Å; H218-E286 IonicContact CD2-OE1 2.68Å; H218-E286 IonicContact CD2-OE2 2.78Å
219	A	97	Very high	96	Very high	4 Å²	4	31.1 Å²	31.1	3%	0.033	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-35.6	-174.3	0	0	0	0	0	114.8	L217 Y221 Y222 P304 W308 I312	L217-A219 PolarHBondContact O-N 2.98Å; A219-Y221 VanDerWaalsContact C-N 3.34Å; A219-Y222 WeakPolarHBondContact O-CD1 3.05Å; A219-Y222 VanDerWaalsContact O-CE1 3.27Å; A219-Y222 WeakPolarHBondContact O-CE1 3.01Å; A219-P304 HydrophobicContact CB-CB 4.15Å; A219-W308 HydrophobicContact CB-CE3 3.67Å; A219-W308 HydrophobicContact CB-CZ3 3.78Å; A219-I312 HydrophobicContact CB-CD1 3.58Å
220	H	94.8	Very high	95.9	Very high	19 Å²	19	31.7 Å²	31.7	9%	0.088	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-15.2	175	-71.5	-92.4	0	0	0	115	M23 H218 L224 D309 I312	M23-H220 HydrophobicContact SD-CB 3.93Å; H218-H220 VanDerWaalsContact C-N 3.31Å; H218-H220 AromaticContact CE1-CD2 3.79Å; H218-H220 PolarHBondContact ND1-N 2.51Å; H218-H220 PolarHBondContact O-N 3.45Å; H220-L224 WeakPolarHBondContact O-CD1 3.06Å; H220-D309 IonicContact CD2-OD2 3.89Å; H220-D309 IonicContact CE1-OD2 3.91Å; H220-D309 PolarHBondContact CE1-OD2 3.01Å; H220-D309 IonicContact NE2-OD2 3.82Å; H220-D309 PolarHBondContact NE2-OD2 3.25Å; H220-I312 VanDerWaalsContact CE1-CG1 3.46Å; H220-I312 WeakPolarHBondContact CE1-CG1 3.5Å
221	Y	95.7	Very high	95.8	Very high	10 Å²	10	31.9 Å²	31.9	4%	0.039	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.1	-16.5	-170.1	-67	-92.3	0	0	0	115.4	M23 H218 A219 H223 L224 F229 T230 Y247	M23-Y221 HydrophobicContact CE-CD1 4.39Å; M23-Y221 HydrophobicContact CE-CE1 3.47Å; M23-Y221 VanDerWaalsContact CE-CE1 3.47Å; M23-Y221 HydrophobicContact CE-CE2 4.25Å; M23-Y221 WeakPolarHBondContact CE-OH 3.41Å; M23-Y221 HydrophobicContact SD-CD1 4.39Å; M23-Y221 HydrophobicContact SD-CE1 3.96Å; M23-Y221 HydrophobicContact SD-CE2 4.15Å; H218-Y221 HydrophobicContact CB-CD2 3.92Å; H218-Y221 AromaticContact CD2-CD2 3.94Å; H218-Y221 AromaticContact CE1-CD2 3.89Å; H218-Y221 AromaticContact CE1-CE2 3.91Å; H218-Y221 AromaticContact CG-CD2 3.54Å; H218-Y221 AromaticContact ND1-CD2 3.52Å; H218-Y221 AromaticContact NE2-CE2 3.93Å; H218-Y221 PolarHBondContact O-N 3.08Å; A219-Y221 VanDerWaalsContact C-N 3.34Å; Y221-H223 PolarHBondContact O-N 2.8Å; Y221-H223 VanDerWaalsContact O-N 3.07Å; Y221-L224 HydrophobicContact CD1-CD1 3.89Å; Y221-L224 HydrophobicContact CE1-CD1 4.41Å; Y221-L224 HydrophobicContact CG-CD1 4.45Å; Y221-L224 WeakPolarHBondContact O-CB 3.34Å; Y221-L224 PolarHBondContact O-N 3.05Å; Y221-F229 AromaticContact CD1-CD1 3.8Å; Y221-F229 HydrophobicContact CD1-CD1 3.8Å; Y221-F229 HydrophobicContact CD1-CE1 4.43Å; Y221-F229 HydrophobicContact CG-CD1 4.44Å; Y221-F229 WeakPolarHBondContact O-CE1 3.29Å; Y221-T230 HydrophobicContact CE1-CG2 4.07Å; Y221-T230 VanDerWaalsContact OH-CG2 3.31Å; Y221-T230 WeakPolarHBondContact OH-CG2 3.29Å; Y221-T230 PolarHBondContact OH-OG1 2.87Å; Y221-Y247 HydrophobicContact CD1-CD1 4.2Å; Y221-Y247 HydrophobicContact CD1-CG 4.17Å; Y221-Y247 AromaticContact CD2-CD1 3.4Å; Y221-Y247 HydrophobicContact CD2-CD1 3.4Å; Y221-Y247 AromaticContact CD2-CE1 3.83Å; Y221-Y247 HydrophobicContact CD2-CE1 3.83Å; Y221-Y247 HydrophobicContact CD2-CG 4.15Å; Y221-Y247 HydrophobicContact CE1-CD1 4.46Å; Y221-Y247 AromaticContact CE2-CD1 3.72Å; Y221-Y247 HydrophobicContact CE2-CD1 3.72Å; Y221-Y247 AromaticContact CE2-CE1 3.65Å; Y221-Y247 HydrophobicContact CE2-CE1 3.65Å; Y221-Y247 AromaticContact CG-CD1 3.66Å; Y221-Y247 HydrophobicContact CG-CD1 3.66Å; Y221-Y247 HydrophobicContact CG-CE1 4.41Å; Y221-Y247 AromaticContact CG-CG 3.94Å; Y221-Y247 HydrophobicContact CG-CG 3.94Å
222	Y	96.3	Very high	95.9	Very high	18 Å²	18	31.8 Å²	31.8	7%	0.071	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-22.8	-169.7	78.2	-75.7	0	0	0	115.5	M39 W80 H218 A219 P304 W308 D317	M39-Y222 HydrophobicContact CE-CD2 4.08Å; M39-Y222 HydrophobicContact SD-CD2 3.85Å; M39-Y222 HydrophobicContact SD-CE2 4.25Å; W80-Y222 HydrophobicContact CH2-CD2 4.2Å; W80-Y222 HydrophobicContact CH2-CE2 4.06Å; H218-Y222 PolarHBondContact O-N 3.49Å; H218-Y222 VanDerWaalsContact O-N 3.07Å; A219-Y222 WeakPolarHBondContact O-CD1 3.05Å; A219-Y222 VanDerWaalsContact O-CE1 3.27Å; A219-Y222 WeakPolarHBondContact O-CE1 3.01Å; Y222-P304 HydrophobicContact CD1-CB 4.38Å; Y222-P304 HydrophobicContact CD1-CG 3.58Å; Y222-P304 HydrophobicContact CD2-CG 3.87Å; Y222-P304 HydrophobicContact CE1-CG 4.02Å; Y222-P304 HydrophobicContact CE2-CG 4.25Å; Y222-P304 HydrophobicContact CG-CG 3.48Å; Y222-P304 VanDerWaalsContact CG-CG 3.48Å; Y222-W308 HydrophobicContact CE1-CH2 4.05Å; Y222-W308 AromaticContact CE1-CZ3 3.81Å; Y222-W308 HydrophobicContact CE1-CZ3 3.81Å; Y222-D317 WeakPolarHBondContact CE2-OD2 3.27Å; Y222-D317 VanDerWaalsContact CZ-OD2 3.26Å; Y222-D317 PolarHBondContact OH-OD2 2.64Å
223	H	95.2	Very high	95.8	Very high	15 Å²	15	32 Å²	32	7%	0.069	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-11.6	170.6	-81.5	-68	0	0	0	114.2	I34 I37 Y221 D317	I34-H223 HydrophobicContact CG2-CB 3.98Å; I34-H223 VanDerWaalsContact O-CB 3.32Å; I34-H223 WeakPolarHBondContact O-CB 3.24Å; I37-H223 HydrophobicContact CB-CB 4.44Å; I37-H223 WeakPolarHBondContact CB-O 3.43Å; I37-H223 VanDerWaalsContact CG2-O 3.22Å; I37-H223 WeakPolarHBondContact CG2-O 3.37Å; I37-H223 PolarHBondContact O-CE1 3.41Å; I37-H223 PolarHBondContact O-ND1 2.94Å; Y221-H223 PolarHBondContact O-N 2.8Å; Y221-H223 VanDerWaalsContact O-N 3.07Å; H223-D317 IonicContact NE2-OD1 3.72Å; H223-D317 IonicContact NE2-OD2 2.73Å; H223-D317 PolarHBondContact NE2-OD2 2.91Å
224	L	93.6	Very high	95.7	Very high	19 Å²	19	34.3 Å²	34.3	10%	0.099	17%	0.166	C	C	.	.	S	Bend	trans	-73.7	141.6	-175.1	-69.5	-177.9	0	0	0	110.9	M23 I34 H220 Y221 R226 L228 F229	M23-L224 HydrophobicContact CE-CD1 4.43Å; M23-L224 HydrophobicContact SD-CD1 3.78Å; I34-L224 HydrophobicContact CD1-CD2 4.13Å; I34-L224 HydrophobicContact CG1-CD2 4.14Å; I34-L224 HydrophobicContact CG2-CD2 3.69Å; I34-L224 HydrophobicContact CG2-CG 4.28Å; H220-L224 WeakPolarHBondContact O-CD1 3.06Å; Y221-L224 HydrophobicContact CD1-CD1 3.89Å; Y221-L224 HydrophobicContact CE1-CD1 4.41Å; Y221-L224 HydrophobicContact CG-CD1 4.45Å; Y221-L224 WeakPolarHBondContact O-CB 3.34Å; Y221-L224 PolarHBondContact O-N 3.05Å; L224-R226 PolarHBondContact O-N 3.01Å; L224-L228 HydrophobicContact CB-CB 4.48Å; L224-L228 HydrophobicContact CD2-CD1 4.27Å; L224-F229 HydrophobicContact CB-CD1 4.48Å; L224-F229 HydrophobicContact CB-CE1 4.15Å; L224-F229 VanDerWaalsContact O-CE1 3.27Å; L224-F229 WeakPolarHBondContact O-CE1 3.27Å
225	P	92.1	Very high	95.6	Very high	54 Å²	54	39.2 Å²	39.2	35%	0.351	20%	0.198	S	C	.	.			trans	-55.6	138.3	167.2	-25.2	33.8	0	0	0	110.9	M227 L228	P225-M227 HydrophobicContact CB-CG 4.15Å; P225-M227 PolarHBondContact O-N 2.81Å; P225-L228 WeakPolarHBondContact O-CB 3.24Å; P225-L228 PolarHBondContact O-N 2.9Å
226	R	91.4	Very high	95.6	Very high	136 Å²	136	46.8 Å²	46.8	51%	0.513	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-49.6	-30	-177.8	-67.6	-178.9	-79.3	-153.6	-7.6	115	L224 L228 F229 G244	L224-R226 PolarHBondContact O-N 3.01Å; R226-L228 PolarHBondContact O-N 3.04Å; R226-F229 HydrophobicContact CB-CD2 4.23Å; R226-F229 HydrophobicContact CB-CE2 4.14Å; R226-F229 HydrophobicContact CG-CD2 4.29Å; R226-F229 HydrophobicContact CG-CE2 3.73Å; R226-F229 HydrophobicContact CG-CZ 4.17Å; R226-F229 WeakPolarHBondContact O-CB 3.22Å; R226-F229 WeakPolarHBondContact O-CG 3.32Å; R226-F229 PolarHBondContact O-N 3.38Å; R226-G244 WeakPolarHBondContact CD-O 3.3Å
227	M	90.5	Very high	95.5	Very high	167 Å²	167	47 Å²	47	82%	0.823	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-66.7	-15.1	177.7	66.8	-177.4	68.7	0	0	114.3	P225	P225-M227 HydrophobicContact CB-CG 4.15Å; P225-M227 PolarHBondContact O-N 2.81Å
228	L	92.6	Very high	95.5	Very high	76 Å²	76	52.3 Å²	52.3	40%	0.398	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-99.4	-1.6	177.2	-60.9	-178	0	0	0	112.8	L224 P225 R226 T230	L224-L228 HydrophobicContact CB-CB 4.48Å; L224-L228 HydrophobicContact CD2-CD1 4.27Å; P225-L228 WeakPolarHBondContact O-CB 3.24Å; P225-L228 PolarHBondContact O-N 2.9Å; R226-L228 PolarHBondContact O-N 3.04Å; L228-T230 PolarHBondContact O-N 2.99Å
229	F	95.3	Very high	95.4	Very high	12 Å²	12	51.6 Å²	51.6	5%	0.053	25%	0.252	C	S	.	.			trans	-65.9	135	174.6	-67.1	-7.4	0	0	0	109.8	Y221 L224 R226 Y231 Y247	Y221-F229 AromaticContact CD1-CD1 3.8Å; Y221-F229 HydrophobicContact CD1-CD1 3.8Å; Y221-F229 HydrophobicContact CD1-CE1 4.43Å; Y221-F229 HydrophobicContact CG-CD1 4.44Å; Y221-F229 WeakPolarHBondContact O-CE1 3.29Å; L224-F229 HydrophobicContact CB-CD1 4.48Å; L224-F229 HydrophobicContact CB-CE1 4.15Å; L224-F229 VanDerWaalsContact O-CE1 3.27Å; L224-F229 WeakPolarHBondContact O-CE1 3.27Å; R226-F229 HydrophobicContact CB-CD2 4.23Å; R226-F229 HydrophobicContact CB-CE2 4.14Å; R226-F229 HydrophobicContact CG-CD2 4.29Å; R226-F229 HydrophobicContact CG-CE2 3.73Å; R226-F229 HydrophobicContact CG-CZ 4.17Å; R226-F229 WeakPolarHBondContact O-CB 3.22Å; R226-F229 WeakPolarHBondContact O-CG 3.32Å; R226-F229 PolarHBondContact O-N 3.38Å; F229-Y231 HydrophobicContact CB-CD2 4.04Å; F229-Y231 HydrophobicContact CB-CE2 3.89Å; F229-Y231 HydrophobicContact CB-CG 4.46Å; F229-Y231 AromaticContact CD2-CE2 3.75Å; F229-Y231 HydrophobicContact CD2-CE2 3.75Å; F229-Y231 AromaticContact CD2-CZ 3.65Å; F229-Y231 WeakPolarHBondContact CD2-OH 3.32Å; F229-Y231 HydrophobicContact CG-CE2 4.35Å; F229-Y231 PolarHBondContact O-N 3.42Å; F229-Y247 HydrophobicContact CB-CD2 3.94Å; F229-Y247 HydrophobicContact CB-CG 4.48Å; F229-Y247 HydrophobicContact CG-CD2 4.36Å; F229-Y247 HydrophobicContact CG-CG 4.47Å
230	T	95.8	Very high	95.5	Very high	13 Å²	13	53.9 Å²	53.9	8%	0.08	26%	0.262	C	S	.	.			trans	-87.7	51.4	-178.2	55.1	0	0	0	0	111.2	T20 Y221 L228 Y247 W283	T20-T230 HydrophobicContact CG2-CG2 4.04Å; Y221-T230 HydrophobicContact CE1-CG2 4.07Å; Y221-T230 VanDerWaalsContact OH-CG2 3.31Å; Y221-T230 WeakPolarHBondContact OH-CG2 3.29Å; Y221-T230 PolarHBondContact OH-OG1 2.87Å; L228-T230 PolarHBondContact O-N 2.99Å; T230-Y247 PolarHBondContact OG1-OH 3.14Å; T230-W283 VanDerWaalsContact CB-NE1 3.27Å; T230-W283 VanDerWaalsContact O-CD1 3.26Å; T230-W283 PolarHBondContact OG1-NE1 3.26Å
231	Y	97.5	Very high	95.6	Very high	4 Å²	4	53 Å²	53	2%	0.016	26%	0.258	C	S	.	.			trans	-63	160.5	170.7	-62.6	-48.4	0	0	0	110.8	F229 H233 M241 G244 F246 Y247 N290	F229-Y231 HydrophobicContact CB-CD2 4.04Å; F229-Y231 HydrophobicContact CB-CE2 3.89Å; F229-Y231 HydrophobicContact CB-CG 4.46Å; F229-Y231 AromaticContact CD2-CE2 3.75Å; F229-Y231 HydrophobicContact CD2-CE2 3.75Å; F229-Y231 AromaticContact CD2-CZ 3.65Å; F229-Y231 WeakPolarHBondContact CD2-OH 3.32Å; F229-Y231 HydrophobicContact CG-CE2 4.35Å; F229-Y231 PolarHBondContact O-N 3.42Å; Y231-H233 PolarHBondContact O-CD2 3.28Å; Y231-H233 PolarHBondContact O-N 2.86Å; Y231-M241 HydrophobicContact CD1-CE 4Å; Y231-M241 HydrophobicContact CD1-SD 3.93Å; Y231-M241 HydrophobicContact CD2-CB 4.24Å; Y231-M241 HydrophobicContact CD2-CE 4.1Å; Y231-M241 HydrophobicContact CE1-CE 3.79Å; Y231-M241 HydrophobicContact CE1-SD 4.22Å; Y231-M241 HydrophobicContact CE2-CE 3.88Å; Y231-M241 HydrophobicContact CG-CB 4.13Å; Y231-M241 HydrophobicContact CG-CE 4.15Å; Y231-M241 HydrophobicContact CG-SD 4.17Å; Y231-G244 WeakPolarHBondContact OH-CA 3.49Å; Y231-F246 PolarHBondContact OH-O 2.66Å; Y231-Y247 AromaticContact CD1-CD2 3.71Å; Y231-Y247 HydrophobicContact CD1-CD2 3.71Å; Y231-Y247 AromaticContact CD1-CE2 3.9Å; Y231-Y247 HydrophobicContact CD1-CE2 3.9Å; Y231-Y247 AromaticContact CE1-CD2 3.57Å; Y231-Y247 HydrophobicContact CE1-CD2 3.57Å; Y231-Y247 HydrophobicContact CE1-CE2 4.2Å; Y231-N290 HydrophobicContact CD1-CB 3.94Å; Y231-N290 HydrophobicContact CE1-CB 3.81Å; Y231-N290 WeakPolarHBondContact CE1-OD1 3.35Å
232	D	96.9	Very high	95.5	Very high	5 Å²	5	60.8 Å²	60.8	3%	0.027	29%	0.291	C	S	.	.			trans	-67.1	119.2	170.3	-164	-72	0	0	0	110.3	N234 S237 A239 F240 M241 A281 L282	D232-N234 WeakPolarHBondContact OD1-CA 3.4Å; D232-N234 VanDerWaalsContact OD1-CB 3.24Å; D232-N234 WeakPolarHBondContact OD1-CB 3.3Å; D232-N234 PolarHBondContact OD1-N 2.66Å; D232-S237 WeakPolarHBondContact OD1-CB 3.49Å; D232-A239 HydrophobicContact CB-CB 3.89Å; D232-F240 CarbonylContact O-C 3.57Å; D232-F240 VanDerWaalsContact O-CA 3.29Å; D232-F240 WeakPolarHBondContact O-CA 3.49Å; D232-M241 PolarHBondContact O-N 2.88Å; D232-A281 WeakPolarHBondContact OD2-CA 3.28Å; D232-L282 PolarHBondContact OD2-N 2.81Å
233	H	95.9	Very high	95.4	Very high	90 Å²	90	63.4 Å²	63.4	42%	0.417	31%	0.31	S	S	.	.			trans	-106.2	8.3	178.1	-68.2	-53.3	0	0	0	113	Y231 P235 F240 M241	Y231-H233 PolarHBondContact O-CD2 3.28Å; Y231-H233 PolarHBondContact O-N 2.86Å; H233-P235 VanDerWaalsContact O-CD 3.3Å; H233-P235 WeakPolarHBondContact O-CD 3.43Å; H233-F240 WeakPolarHBondContact O-CE2 3.46Å; H233-M241 PolarHBondContact CE1-O 2.97Å; H233-M241 PolarHBondContact ND1-O 3.07Å
234	N	96.6	Very high	95.4	Very high	61 Å²	61	62.9 Å²	62.9	33%	0.326	31%	0.308	S	S	.	.			trans	-78.8	111.8	173.9	178.5	2.8	0	0	0	109.4	D232 K236 S237 F240	D232-N234 WeakPolarHBondContact OD1-CA 3.4Å; D232-N234 VanDerWaalsContact OD1-CB 3.24Å; D232-N234 WeakPolarHBondContact OD1-CB 3.3Å; D232-N234 PolarHBondContact OD1-N 2.66Å; N234-K236 PolarHBondContact O-N 2.79Å; N234-K236 WeakPolarHBondContact OD1-CB 3.13Å; N234-K236 PolarHBondContact OD1-N 3.4Å; N234-S237 PolarHBondContact O-N 2.8Å; N234-F240 WeakPolarHBondContact O-CB 2.88Å
235	P	96.8	Very high	95.5	Very high	103 Å²	103	63.5 Å²	63.5	67%	0.669	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-10.4	-177.3	28.6	-36.5	0	0	0	114	H233 F240	H233-P235 VanDerWaalsContact O-CD 3.3Å; H233-P235 WeakPolarHBondContact O-CD 3.43Å; P235-F240 HydrophobicContact CB-CD2 4.44Å; P235-F240 HydrophobicContact CB-CE2 4.37Å
236	K	97.1	Very high	95.8	Very high	159 Å²	159	61.9 Å²	61.9	69%	0.691	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-20.1	173.2	-56.7	-173	177.5	-177.9	0	113.2	N234 V279	N234-K236 PolarHBondContact O-N 2.79Å; N234-K236 WeakPolarHBondContact OD1-CB 3.13Å; N234-K236 PolarHBondContact OD1-N 3.4Å; K236-V279 HydrophobicContact CB-CG2 3.68Å; K236-V279 HydrophobicContact CD-CG2 4.49Å
237	S	97.8	Very high	96.1	Very high	7 Å²	7	55.6 Å²	55.6	5%	0.049	28%	0.275	C	S	.	.	S	Bend	trans	-78.9	141.9	179.8	175.6	0	0	0	0	111.3	D232 N234 A239 F240 D274	D232-S237 WeakPolarHBondContact OD1-CB 3.49Å; N234-S237 PolarHBondContact O-N 2.8Å; S237-A239 PolarHBondContact O-N 3.07Å; S237-A239 WeakPolarHBondContact OG-CB 3.35Å; S237-A239 PolarHBondContact OG-N 3.48Å; S237-F240 WeakPolarHBondContact O-CB 3.09Å; S237-F240 PolarHBondContact O-N 2.86Å; S237-F240 VanDerWaalsContact O-N 3.12Å; S237-D274 WeakPolarHBondContact CA-OD1 3.13Å; S237-D274 WeakPolarHBondContact CA-OD2 3.33Å; S237-D274 WeakPolarHBondContact CB-OD2 3.15Å; S237-D274 PolarHBondContact OG-OD2 2.88Å
238	K	97.5	Very high	96.5	Very high	112 Å²	112	47.7 Å²	47.7	49%	0.487	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-21	167.6	-66.5	-53.1	-178.4	-176.4	0	112.3	F240 A273 D274	K238-F240 VanDerWaalsContact C-N 3.29Å; K238-A273 HydrophobicContact CD-CB 4.47Å; K238-A273 HydrophobicContact CG-CB 3.89Å; K238-D274 WeakPolarHBondContact CB-OD1 3.29Å; K238-D274 VanDerWaalsContact CG-OD1 3.31Å; K238-D274 WeakPolarHBondContact CG-OD1 3.43Å; K238-D274 PolarHBondContact N-OD1 3.2Å; K238-D274 PolarHBondContact N-OD2 3.1Å
239	A	97.6	Very high	96.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-2.7	173.5	0	0	0	0	0	113.9	D232 S237 M241 A281	D232-A239 HydrophobicContact CB-CB 3.89Å; S237-A239 PolarHBondContact O-N 3.07Å; S237-A239 WeakPolarHBondContact OG-CB 3.35Å; S237-A239 PolarHBondContact OG-N 3.48Å; A239-M241 PolarHBondContact O-N 2.96Å; A239-A281 HydrophobicContact CB-CB 3.9Å
240	F	97.9	Very high	96.8	Very high	52 Å²	52	44.6 Å²	44.6	23%	0.228	22%	0.221	C	C	.	.			trans	-50.4	127.7	-175.6	175.1	-110.3	0	0	0	113	D232 H233 N234 P235 S237 K238 K242 R291	D232-F240 CarbonylContact O-C 3.57Å; D232-F240 VanDerWaalsContact O-CA 3.29Å; D232-F240 WeakPolarHBondContact O-CA 3.49Å; H233-F240 WeakPolarHBondContact O-CE2 3.46Å; N234-F240 WeakPolarHBondContact O-CB 2.88Å; P235-F240 HydrophobicContact CB-CD2 4.44Å; P235-F240 HydrophobicContact CB-CE2 4.37Å; S237-F240 WeakPolarHBondContact O-CB 3.09Å; S237-F240 PolarHBondContact O-N 2.86Å; S237-F240 VanDerWaalsContact O-N 3.12Å; K238-F240 VanDerWaalsContact C-N 3.29Å; F240-K242 HydrophobicContact CE1-CD 4.45Å; F240-K242 HydrophobicContact CE1-CG 3.86Å; F240-K242 HydrophobicContact CE2-CG 4.39Å; F240-K242 HydrophobicContact CZ-CD 4.2Å; F240-K242 HydrophobicContact CZ-CG 3.49Å; F240-K242 VanDerWaalsContact CZ-CG 3.49Å; F240-R291 PolarHBondContact O-NH1 3.01Å
241	M	96.9	Very high	96.8	Very high	1 Å²	1	44 Å²	44	1%	0.005	22%	0.218	C	C	.	.			trans	-138.6	139.6	173.5	-67.3	172.4	62.4	0	0	110.6	Y231 D232 H233 A239 T243 N290 R291 W294	Y231-M241 HydrophobicContact CD1-CE 4Å; Y231-M241 HydrophobicContact CD1-SD 3.93Å; Y231-M241 HydrophobicContact CD2-CB 4.24Å; Y231-M241 HydrophobicContact CD2-CE 4.1Å; Y231-M241 HydrophobicContact CE1-CE 3.79Å; Y231-M241 HydrophobicContact CE1-SD 4.22Å; Y231-M241 HydrophobicContact CE2-CE 3.88Å; Y231-M241 HydrophobicContact CG-CB 4.13Å; Y231-M241 HydrophobicContact CG-CE 4.15Å; Y231-M241 HydrophobicContact CG-SD 4.17Å; D232-M241 PolarHBondContact O-N 2.88Å; H233-M241 PolarHBondContact CE1-O 2.97Å; H233-M241 PolarHBondContact ND1-O 3.07Å; A239-M241 PolarHBondContact O-N 2.96Å; M241-T243 WeakPolarHBondContact CE-O 3.33Å; M241-N290 HydrophobicContact SD-CB 4.22Å; M241-R291 HydrophobicContact CG-CB 4.35Å; M241-R291 WeakPolarHBondContact SD-CA 3.31Å; M241-R291 HydrophobicContact SD-CB 4.02Å; M241-R291 PolarHBondContact SD-N 2.98Å; M241-R291 VanDerWaalsContact SD-N 3.44Å; M241-W294 HydrophobicContact CE-CB 3.54Å; M241-W294 HydrophobicContact CE-CD2 4.05Å; M241-W294 HydrophobicContact CE-CG 3.64Å; M241-W294 HydrophobicContact CG-CE3 4.39Å; M241-W294 HydrophobicContact SD-CB 4.33Å
242	K	93.6	Very high	96.8	Very high	172 Å²	172	43.9 Å²	43.9	75%	0.748	22%	0.217	S	C	*	.	S	Bend	trans	-94.5	-23	170	-67.6	-174.8	178.5	178.8	0	112.7	F240	F240-K242 HydrophobicContact CE1-CD 4.45Å; F240-K242 HydrophobicContact CE1-CG 3.86Å; F240-K242 HydrophobicContact CE2-CG 4.39Å; F240-K242 HydrophobicContact CZ-CD 4.2Å; F240-K242 HydrophobicContact CZ-CG 3.49Å; F240-K242 VanDerWaalsContact CZ-CG 3.49Å
243	T	95.2	Very high	96.9	Very high	74 Å²	74	43.8 Å²	43.8	45%	0.454	22%	0.216	S	C	.	.			trans	-159.1	167.5	-175.7	-169	0	0	0	0	108.7	M241 W294	M241-T243 WeakPolarHBondContact CE-O 3.33Å; T243-W294 HydrophobicContact CG2-CZ2 4.32Å
244	G	94.8	Very high	97	Very high	3 Å²	3	39.6 Å²	39.6	3%	0.031	20%	0.197	C	C	.	.			trans	-162.6	-174.6	176.6	0	0	0	0	0	110.9	R226 Y231	R226-G244 WeakPolarHBondContact CD-O 3.3Å; Y231-G244 WeakPolarHBondContact OH-CA 3.49Å
245	D	96.1	Very high	97.1	Very high	33 Å²	33	36.7 Å²	36.7	18%	0.176	18%	0.182	C	C	.	.	S	Bend	trans	-94	-54	178.2	-45.1	-82	0	0	0	110.4	W74 K297	W74-D245 HydrophobicContact CH2-CB 3.94Å; W74-D245 HydrophobicContact CZ3-CB 3.61Å; D245-K297 IonicContact OD1-NZ 2.7Å; D245-K297 IonicContact OD2-NZ 4Å; D245-K297 PolarHBondContact OD2-NZ 2.79Å
246	F	98	Very high	97.2	Very high	19 Å²	19	32.4 Å²	32.4	8%	0.083	16%	0.155	C	C	.	.			trans	-138.1	158.5	178.1	-57.6	-77.3	0	0	0	110.3	T72 W74 I78 L217 Y231 Y248	T72-F246 HydrophobicContact CG2-CE2 3.86Å; T72-F246 HydrophobicContact CG2-CZ 4.39Å; W74-F246 AromaticContact CH2-CD2 3.85Å; W74-F246 HydrophobicContact CH2-CD2 3.85Å; W74-F246 AromaticContact CH2-CE2 3.66Å; W74-F246 HydrophobicContact CH2-CE2 3.66Å; W74-F246 HydrophobicContact CZ3-CE2 4.16Å; I78-F246 HydrophobicContact CD1-CE1 4.42Å; I78-F246 HydrophobicContact CD1-CZ 3.9Å; L217-F246 HydrophobicContact CD2-CB 3.5Å; L217-F246 HydrophobicContact CD2-CD1 3.61Å; L217-F246 HydrophobicContact CD2-CD2 4.2Å; L217-F246 HydrophobicContact CD2-CE1 4.37Å; L217-F246 HydrophobicContact CD2-CG 3.51Å; Y231-F246 PolarHBondContact OH-O 2.66Å; F246-Y248 HydrophobicContact CB-CD1 4.24Å; F246-Y248 HydrophobicContact CB-CE1 3.75Å; F246-Y248 HydrophobicContact CB-CE2 4.47Å; F246-Y248 HydrophobicContact CD2-CE1 4.1Å; F246-Y248 HydrophobicContact CG-CE1 4.33Å
247	Y	98.4	Very high	97.3	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.016	13%	0.129	C	C	.	.			trans	-91.8	110.8	166.9	-164.5	-95.2	0	0	0	109.2	H218 Y221 F229 T230 Y231 E286	H218-Y247 HydrophobicContact CB-CD1 3.74Å; H218-Y247 HydrophobicContact CB-CE1 4.43Å; H218-Y247 WeakPolarHBondContact CB-O 3.49Å; H218-Y247 AromaticContact CD2-CD1 3.82Å; H218-Y247 AromaticContact CD2-CE1 3.61Å; H218-Y247 AromaticContact CG-CD1 3.96Å; H218-Y247 PolarHBondContact N-O 3.44Å; Y221-Y247 HydrophobicContact CD1-CD1 4.2Å; Y221-Y247 HydrophobicContact CD1-CG 4.17Å; Y221-Y247 AromaticContact CD2-CD1 3.4Å; Y221-Y247 HydrophobicContact CD2-CD1 3.4Å; Y221-Y247 AromaticContact CD2-CE1 3.83Å; Y221-Y247 HydrophobicContact CD2-CE1 3.83Å; Y221-Y247 HydrophobicContact CD2-CG 4.15Å; Y221-Y247 HydrophobicContact CE1-CD1 4.46Å; Y221-Y247 AromaticContact CE2-CD1 3.72Å; Y221-Y247 HydrophobicContact CE2-CD1 3.72Å; Y221-Y247 AromaticContact CE2-CE1 3.65Å; Y221-Y247 HydrophobicContact CE2-CE1 3.65Å; Y221-Y247 AromaticContact CG-CD1 3.66Å; Y221-Y247 HydrophobicContact CG-CD1 3.66Å; Y221-Y247 HydrophobicContact CG-CE1 4.41Å; Y221-Y247 AromaticContact CG-CG 3.94Å; Y221-Y247 HydrophobicContact CG-CG 3.94Å; F229-Y247 HydrophobicContact CB-CD2 3.94Å; F229-Y247 HydrophobicContact CB-CG 4.48Å; F229-Y247 HydrophobicContact CG-CD2 4.36Å; F229-Y247 HydrophobicContact CG-CG 4.47Å; T230-Y247 PolarHBondContact OG1-OH 3.14Å; Y231-Y247 AromaticContact CD1-CD2 3.71Å; Y231-Y247 HydrophobicContact CD1-CD2 3.71Å; Y231-Y247 AromaticContact CD1-CE2 3.9Å; Y231-Y247 HydrophobicContact CD1-CE2 3.9Å; Y231-Y247 AromaticContact CE1-CD2 3.57Å; Y231-Y247 HydrophobicContact CE1-CD2 3.57Å; Y231-Y247 HydrophobicContact CE1-CE2 4.2Å; Y247-E286 HydrophobicContact CE1-CG 4.47Å; Y247-E286 WeakPolarHBondContact CE1-OE1 3.1Å; Y247-E286 VanDerWaalsContact CZ-OE1 3.22Å; Y247-E286 PolarHBondContact OH-OE1 2.92Å
248	Y	98.7	Very high	97.3	Very high	2 Å²	2	34 Å²	34	1%	0.008	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	144.3	-177.7	-53.4	-70.1	0	0	0	111.1	W74 A215 L216 L217 F246 E286 N290 F293 P298 V301	W74-Y248 WeakPolarHBondContact CH2-OH 3.45Å; A215-Y248 HydrophobicContact CB-CD1 3.51Å; A215-Y248 HydrophobicContact CB-CE1 3.74Å; A215-Y248 HydrophobicContact CB-CG 4.04Å; L216-Y248 CarbonylContact O-C 3.48Å; L216-Y248 WeakPolarHBondContact O-CA 3.31Å; L217-Y248 HydrophobicContact CD2-CD1 4.43Å; L217-Y248 HydrophobicContact CD2-CE1 4.35Å; F246-Y248 HydrophobicContact CB-CD1 4.24Å; F246-Y248 HydrophobicContact CB-CE1 3.75Å; F246-Y248 HydrophobicContact CB-CE2 4.47Å; F246-Y248 HydrophobicContact CD2-CE1 4.1Å; F246-Y248 HydrophobicContact CG-CE1 4.33Å; Y248-E286 WeakPolarHBondContact O-CG 3.28Å; Y248-N290 WeakPolarHBondContact CD2-OD1 3.49Å; Y248-N290 PolarHBondContact N-OD1 3.03Å; Y248-N290 PolarHBondContact O-ND2 2.99Å; Y248-F293 HydrophobicContact CD2-CB 3.68Å; Y248-F293 AromaticContact CD2-CD2 3.82Å; Y248-F293 HydrophobicContact CD2-CD2 3.82Å; Y248-F293 HydrophobicContact CD2-CG 4.16Å; Y248-F293 HydrophobicContact CE2-CB 3.44Å; Y248-F293 VanDerWaalsContact CE2-CB 3.44Å; Y248-F293 HydrophobicContact CE2-CD2 4.33Å; Y248-F293 HydrophobicContact CE2-CG 4.23Å; Y248-F293 HydrophobicContact CG-CD2 4.02Å; Y248-P298 HydrophobicContact CE1-CG 4.4Å; Y248-V301 HydrophobicContact CE1-CG1 4.47Å; Y248-V301 HydrophobicContact CE1-CG2 4.49Å
249	H	98.1	Very high	97.4	Very high	16 Å²	16	29.7 Å²	29.7	7%	0.074	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	124.8	-179.1	-171.3	-136.8	0	0	0	110.7	L216 H218 A251 E286 W325	L216-H249 HydrophobicContact CD2-CB 3.74Å; L216-H249 HydrophobicContact CG-CB 4.13Å; L216-H249 PolarHBondContact O-N 3.02Å; H218-H249 HydrophobicContact CB-CB 3.86Å; H218-H249 AromaticContact CD2-CD2 3.22Å; H218-H249 PolarHBondContact CD2-CD2 3.29Å; H218-H249 AromaticContact CD2-CG 3.79Å; H218-H249 AromaticContact CG-CD2 3.96Å; H218-H249 AromaticContact NE2-CD2 3.41Å; H218-H249 PolarHBondContact NE2-CD2 2.85Å; H218-H249 AromaticContact NE2-NE2 3.93Å; H249-A251 WeakPolarHBondContact CE1-CB 3.45Å; H249-A251 WeakPolarHBondContact ND1-CB 3.23Å; H249-A251 PolarHBondContact O-N 2.92Å; H249-E286 WeakPolarHBondContact CA-OE2 3.25Å; H249-E286 IonicContact CD2-OE2 2.91Å; H249-E286 PolarHBondContact CD2-OE2 3.4Å; H249-E286 VanDerWaalsContact CD2-OE2 3.23Å; H249-E286 IonicContact CG-OE2 3.28Å; H249-W325 AromaticContact CE1-CE2 3.84Å; H249-W325 AromaticContact CE1-CZ2 3.53Å; H249-W325 AromaticContact CE1-NE1 3.71Å; H249-W325 AromaticContact NE2-CZ2 3.41Å; H249-W325 WeakPolarHBondContact NE2-CZ2 3.45Å
250	A	96.1	Very high	97.4	Very high	6 Å²	6	29.8 Å²	29.8	5%	0.05	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	-14.3	-176.8	0	0	0	0	0	114.8	I252 E286 L289	A250-I252 PolarHBondContact O-N 3.12Å; A250-E286 HydrophobicContact CB-CB 3.59Å; A250-E286 HydrophobicContact CB-CG 3.93Å; A250-E286 PolarHBondContact N-OE2 2.88Å; A250-L289 VanDerWaalsContact CA-CD2 3.44Å; A250-L289 HydrophobicContact CB-CD2 3.77Å
251	A	95	Very high	97.5	Very high	2 Å²	2	28.9 Å²	28.9	2%	0.017	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	-14.3	-179.6	0	0	0	0	0	113.4	F195 D196 H249	F195-A251 CarbonylContact C-O 3.51Å; F195-A251 VanDerWaalsContact CA-O 3.29Å; F195-A251 WeakPolarHBondContact CA-O 3.43Å; D196-A251 HydrophobicContact CB-CB 3.96Å; D196-A251 PolarHBondContact N-O 3.13Å; D196-A251 WeakPolarHBondContact OD2-CA 3.49Å; D196-A251 WeakPolarHBondContact OD2-CB 3.04Å; H249-A251 WeakPolarHBondContact CE1-CB 3.45Å; H249-A251 WeakPolarHBondContact ND1-CB 3.23Å; H249-A251 PolarHBondContact O-N 2.92Å
252	I	98.2	Very high	97.5	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	124	167.6	-45.6	178.3	0	0	0	110.8	F193 C194 F195 F205 L216 A250 Y306 C307 L323	F193-I252 HydrophobicContact CD1-CG2 4.09Å; F193-I252 HydrophobicContact CE1-CG2 4.44Å; C194-I252 WeakPolarHBondContact O-CA 3.22Å; F195-I252 HydrophobicContact CD1-CD1 4.01Å; F195-I252 HydrophobicContact CD1-CG1 3.78Å; F195-I252 HydrophobicContact CD1-CG2 4.19Å; F195-I252 HydrophobicContact CE1-CD1 3.78Å; F195-I252 HydrophobicContact CE1-CG1 3.98Å; F195-I252 HydrophobicContact CE1-CG2 3.87Å; F195-I252 HydrophobicContact CZ-CG2 4.2Å; F205-I252 HydrophobicContact CE2-CD1 4.35Å; F205-I252 HydrophobicContact CZ-CG2 4.45Å; L216-I252 HydrophobicContact CB-CB 4.19Å; L216-I252 WeakPolarHBondContact CB-O 3.26Å; L216-I252 HydrophobicContact CD2-CB 3.72Å; L216-I252 HydrophobicContact CD2-CD1 3.77Å; L216-I252 HydrophobicContact CD2-CG1 3.73Å; A250-I252 PolarHBondContact O-N 3.12Å; I252-Y306 WeakPolarHBondContact CD1-O 3.24Å; I252-C307 HydrophobicContact CD1-CB 3.77Å; I252-L323 HydrophobicContact CD1-CD2 3.32Å; I252-L323 HydrophobicContact CG1-CD2 4.26Å
253	F	98.7	Very high	97.8	Very high	3 Å²	3	22.6 Å²	22.6	1%	0.013	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	160.7	164	61.7	-84.6	0	0	0	109.8	M174 I177 C194 V260 L263 T264 L289 F293	M174-F253 HydrophobicContact CE-CE1 4.33Å; M174-F253 HydrophobicContact CE-CZ 4.29Å; M174-F253 HydrophobicContact SD-CZ 4.29Å; I177-F253 HydrophobicContact CD1-CZ 4.16Å; C194-F253 HydrophobicContact CB-CD1 4.1Å; C194-F253 HydrophobicContact CB-CD2 4.22Å; C194-F253 HydrophobicContact CB-CE1 3.63Å; C194-F253 HydrophobicContact CB-CE2 3.77Å; C194-F253 HydrophobicContact CB-CG 4.37Å; C194-F253 HydrophobicContact CB-CZ 3.45Å; C194-F253 VanDerWaalsContact CB-CZ 3.45Å; C194-F253 PolarHBondContact N-O 3.04Å; C194-F253 PolarHBondContact O-N 2.72Å; C194-F253 WeakPolarHBondContact SG-CE2 3.49Å; F253-V260 HydrophobicContact CE2-CG1 4.12Å; F253-L263 HydrophobicContact CD2-CD1 4.16Å; F253-L263 HydrophobicContact CD2-CD2 4.04Å; F253-L263 HydrophobicContact CE2-CD2 3.87Å; F253-L263 HydrophobicContact CZ-CD2 4.49Å; F253-T264 HydrophobicContact CE2-CG2 3.94Å; F253-T264 HydrophobicContact CZ-CG2 4.2Å; F253-L289 HydrophobicContact CB-CD1 4.43Å; F253-L289 HydrophobicContact CD1-CD1 4.48Å; F253-L289 HydrophobicContact CG-CD1 4.32Å; F253-F293 HydrophobicContact CB-CZ 4.37Å
254	G	98.6	Very high	97.9	Very high	1 Å²	1	19 Å²	19	1%	0.01	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.2	-169.5	-178.6	0	0	0	0	0	113.5	V192 V214	V192-G254 CarbonylContact O-C 3.42Å; V192-G254 WeakPolarHBondContact O-CA 3.21Å; V214-G254 WeakPolarHBondContact CB-O 3.5Å; V214-G254 PolarHBondContact N-O 3.49Å; V214-G254 PolarHBondContact O-N 3.38Å; V214-G254 VanDerWaalsContact O-N 3.07Å
255	G	98.4	Very high	98.1	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.01	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	153.8	-167	-178.3	0	0	0	0	0	113.2	H191 V192 G211 D212 V260	H191-G255 CarbonylContact C-O 3.53Å; H191-G255 WeakPolarHBondContact CA-O 3.21Å; H191-G255 VanDerWaalsContact CB-O 3.29Å; H191-G255 WeakPolarHBondContact CB-O 3.3Å; V192-G255 PolarHBondContact N-O 3.48Å; V192-G255 PolarHBondContact O-N 2.83Å; G211-G255 CarbonylContact O-C 3.37Å; G211-G255 VanDerWaalsContact O-CA 3.28Å; G211-G255 WeakPolarHBondContact O-CA 3.42Å; D212-G255 CarbonylContact O-C 3.48Å; D212-G255 WeakPolarHBondContact O-CA 3.12Å; G255-V260 VanDerWaalsContact N-CG2 3.33Å
256	S	98.6	Very high	98.2	Very high	13 Å²	13	21.6 Å²	21.6	9%	0.091	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	151	162.5	76.4	0	0	0	0	109.3	G211 D212 R258 S259 V260	G211-S256 PolarHBondContact O-N 3.01Å; D212-S256 PolarHBondContact O-N 3.38Å; D212-S256 VanDerWaalsContact OD1-CB 3.25Å; D212-S256 WeakPolarHBondContact OD1-CB 3.38Å; D212-S256 PolarHBondContact OD1-OG 3.28Å; S256-R258 PolarHBondContact O-N 3.42Å; S256-R258 VanDerWaalsContact O-N 3.07Å; S256-S259 PolarHBondContact O-N 3.42Å; S256-S259 VanDerWaalsContact O-N 3.1Å; S256-S259 PolarHBondContact OG-N 3.43Å; S256-S259 PolarHBondContact OG-OG 2.96Å; S256-V260 WeakPolarHBondContact O-CG2 3.31Å; S256-V260 PolarHBondContact O-N 2.94Å
257	W	98.6	Very high	98.1	Very high	42 Å²	42	20.7 Å²	20.7	16%	0.159	10%	0.104	C	C	.	.	H	α-helix	trans	-56	-30.9	179.4	68.9	-104.8	0	0	0	112.6	I181 R186 T190 V192 K261	I181-W257 HydrophobicContact CG2-CB 4.15Å; I181-W257 HydrophobicContact CG2-CE3 4.01Å; R186-W257 HydrophobicContact CB-CD2 3.67Å; R186-W257 HydrophobicContact CB-CE3 3.65Å; R186-W257 HydrophobicContact CB-CG 4.21Å; R186-W257 HydrophobicContact CB-CH2 4.18Å; R186-W257 HydrophobicContact CB-CZ2 4.18Å; R186-W257 HydrophobicContact CB-CZ3 3.93Å; T190-W257 PolarHBondContact O-N 3.43Å; V192-W257 HydrophobicContact CG2-CB 3.91Å; W257-K261 VanDerWaalsContact O-CB 3.23Å; W257-K261 WeakPolarHBondContact O-CB 3.45Å; W257-K261 PolarHBondContact O-N 3.26Å
258	R	98.6	Very high	98	Very high	156 Å²	156	23.6 Å²	23.6	59%	0.589	12%	0.115	S	C	*	.	H	α-helix	trans	-66.2	-49.2	177.8	-69.1	-178.4	-177.5	81.5	-1	111.3	S256 K261 A262	S256-R258 PolarHBondContact O-N 3.42Å; S256-R258 VanDerWaalsContact O-N 3.07Å; R258-K261 PolarHBondContact O-N 2.98Å; R258-A262 WeakPolarHBondContact O-CB 3.43Å; R258-A262 PolarHBondContact O-N 3.39Å
259	S	98.6	Very high	97.9	Very high	23 Å²	23	31.8 Å²	31.8	16%	0.161	15%	0.146	C	C	.	.	H	α-helix	trans	-71.5	-37.7	-176.6	-66.2	0	0	0	0	111.6	D212 S256 A262 L263	D212-S259 VanDerWaalsContact CG-OG 3.26Å; D212-S259 WeakPolarHBondContact O-CB 3.25Å; D212-S259 PolarHBondContact O-OG 3.14Å; D212-S259 PolarHBondContact OD1-OG 2.94Å; D212-S259 PolarHBondContact OD2-OG 2.99Å; S256-S259 PolarHBondContact O-N 3.42Å; S256-S259 VanDerWaalsContact O-N 3.1Å; S256-S259 PolarHBondContact OG-N 3.43Å; S256-S259 PolarHBondContact OG-OG 2.96Å; S259-A262 PolarHBondContact O-N 3.48Å; S259-L263 WeakPolarHBondContact O-CB 3.46Å; S259-L263 PolarHBondContact O-N 2.97Å
260	V	98.8	Very high	97.8	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.006	15%	0.154	C	C	.	.	H	α-helix	trans	-64.4	-45.5	173	179	0	0	0	0	110.9	I177 I181 V192 F253 G255 S256 A262 L263 T264	I177-V260 HydrophobicContact CG2-CG1 4.34Å; I181-V260 HydrophobicContact CD1-CB 4.15Å; I181-V260 HydrophobicContact CD1-CG1 3.74Å; V192-V260 HydrophobicContact CB-CB 4.22Å; V192-V260 HydrophobicContact CB-CG1 4.18Å; V192-V260 HydrophobicContact CB-CG2 4.09Å; V192-V260 HydrophobicContact CG1-CG1 4.24Å; F253-V260 HydrophobicContact CE2-CG1 4.12Å; G255-V260 VanDerWaalsContact N-CG2 3.33Å; S256-V260 WeakPolarHBondContact O-CG2 3.31Å; S256-V260 PolarHBondContact O-N 2.94Å; V260-A262 PolarHBondContact O-N 3.13Å; V260-L263 WeakPolarHBondContact O-CB 3.37Å; V260-L263 PolarHBondContact O-N 3.42Å; V260-T264 HydrophobicContact CG1-CG2 4.35Å; V260-T264 WeakPolarHBondContact O-CG2 3.42Å; V260-T264 PolarHBondContact O-N 3.4Å; V260-T264 PolarHBondContact O-OG1 3.17Å; V260-T264 VanDerWaalsContact O-OG1 3.05Å
261	K	98.6	Very high	97.7	Very high	33 Å²	33	33.2 Å²	33.2	14%	0.143	16%	0.156	C	C	.	.	H	α-helix	trans	-57.2	-49	175.2	-176.6	175	-179.8	-72.8	0	111.7	I181 E182 W257 R258 L263 T264 E265	I181-K261 HydrophobicContact CB-CB 4.44Å; I181-K261 HydrophobicContact CD1-CB 4.25Å; I181-K261 HydrophobicContact CG2-CB 3.93Å; I181-K261 HydrophobicContact CG2-CD 4.15Å; I181-K261 HydrophobicContact CG2-CG 4.4Å; E182-K261 WeakPolarHBondContact OE2-CE 3.22Å; W257-K261 VanDerWaalsContact O-CB 3.23Å; W257-K261 WeakPolarHBondContact O-CB 3.45Å; W257-K261 PolarHBondContact O-N 3.26Å; R258-K261 PolarHBondContact O-N 2.98Å; K261-L263 VanDerWaalsContact C-N 3.32Å; K261-L263 PolarHBondContact O-N 2.95Å; K261-T264 WeakPolarHBondContact CA-OG1 3.12Å; K261-T264 PolarHBondContact O-N 3.49Å; K261-T264 PolarHBondContact O-OG1 3.25Å; K261-E265 HydrophobicContact CG-CG 4.35Å; K261-E265 IonicContact NZ-OE1 2.66Å; K261-E265 PolarHBondContact NZ-OE1 2.88Å; K261-E265 IonicContact NZ-OE2 2.64Å; K261-E265 PolarHBondContact NZ-OE2 2.93Å; K261-E265 WeakPolarHBondContact O-CB 3.01Å; K261-E265 WeakPolarHBondContact O-CG 3.47Å; K261-E265 PolarHBondContact O-N 3Å
262	A	98.8	Very high	97.6	Very high	40 Å²	40	35.5 Å²	35.5	33%	0.331	17%	0.167	S	C	.	.	H	α-helix	trans	-60.8	-40.4	179.5	0	0	0	0	0	112.5	R258 S259 V260 A266	R258-A262 WeakPolarHBondContact O-CB 3.43Å; R258-A262 PolarHBondContact O-N 3.39Å; S259-A262 PolarHBondContact O-N 3.48Å; V260-A262 PolarHBondContact O-N 3.13Å; A262-A266 VanDerWaalsContact O-CB 3.27Å; A262-A266 WeakPolarHBondContact O-CB 3.46Å; A262-A266 PolarHBondContact O-N 3.09Å
263	L	98.6	Very high	97.5	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-61.3	-52.1	174.4	179.5	163.9	0	0	0	111	M174 F253 S259 V260 K261 E265 A266 C267 L289 Y292 F293	M174-L263 HydrophobicContact SD-CD2 4.48Å; F253-L263 HydrophobicContact CD2-CD1 4.16Å; F253-L263 HydrophobicContact CD2-CD2 4.04Å; F253-L263 HydrophobicContact CE2-CD2 3.87Å; F253-L263 HydrophobicContact CZ-CD2 4.49Å; S259-L263 WeakPolarHBondContact O-CB 3.46Å; S259-L263 PolarHBondContact O-N 2.97Å; V260-L263 WeakPolarHBondContact O-CB 3.37Å; V260-L263 PolarHBondContact O-N 3.42Å; K261-L263 VanDerWaalsContact C-N 3.32Å; K261-L263 PolarHBondContact O-N 2.95Å; L263-E265 VanDerWaalsContact C-N 3.35Å; L263-E265 PolarHBondContact O-N 3.41Å; L263-A266 PolarHBondContact O-N 3.46Å; L263-C267 WeakPolarHBondContact O-CB 3.14Å; L263-C267 PolarHBondContact O-N 2.84Å; L263-C267 PolarHBondContact O-SG 2.74Å; L263-L289 HydrophobicContact CD1-CD1 3.78Å; L263-L289 HydrophobicContact CD2-CD1 3.74Å; L263-L289 HydrophobicContact CG-CD1 4.12Å; L263-Y292 HydrophobicContact CB-CD1 4.1Å; L263-Y292 HydrophobicContact CB-CE1 3.64Å; L263-Y292 HydrophobicContact CB-CE2 4.35Å; L263-Y292 HydrophobicContact CD1-CD1 3.86Å; L263-Y292 HydrophobicContact CD1-CE1 3.9Å; L263-Y292 HydrophobicContact CG-CD1 3.65Å; L263-Y292 HydrophobicContact CG-CE1 3.72Å; L263-Y292 HydrophobicContact CG-CG 4.15Å; L263-F293 HydrophobicContact CD1-CE1 3.71Å; L263-F293 HydrophobicContact CD1-CE2 4.26Å; L263-F293 HydrophobicContact CD1-CZ 3.5Å; L263-F293 VanDerWaalsContact CD1-CZ 3.5Å
264	T	98.2	Very high	97.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-65	-38.4	-177.5	52.4	0	0	0	0	111.9	M174 I177 F253 V260 K261 C267 Y268	M174-T264 WeakPolarHBondContact O-CB 3.37Å; M174-T264 HydrophobicContact SD-CG2 3.85Å; I177-T264 HydrophobicContact CB-CG2 4.12Å; I177-T264 HydrophobicContact CG2-CG2 3.81Å; F253-T264 HydrophobicContact CE2-CG2 3.94Å; F253-T264 HydrophobicContact CZ-CG2 4.2Å; V260-T264 HydrophobicContact CG1-CG2 4.35Å; V260-T264 WeakPolarHBondContact O-CG2 3.42Å; V260-T264 PolarHBondContact O-N 3.4Å; V260-T264 PolarHBondContact O-OG1 3.17Å; V260-T264 VanDerWaalsContact O-OG1 3.05Å; K261-T264 WeakPolarHBondContact CA-OG1 3.12Å; K261-T264 PolarHBondContact O-N 3.49Å; K261-T264 PolarHBondContact O-OG1 3.25Å; T264-C267 PolarHBondContact O-N 2.8Å; T264-Y268 WeakPolarHBondContact O-CB 3.35Å; T264-Y268 PolarHBondContact O-N 3.5Å
265	E	97.8	Very high	96.9	Very high	71 Å²	71	41 Å²	41	33%	0.332	19%	0.194	S	C	.	.	H	α-helix	trans	-66.6	-37.6	174.8	-73.3	-179.6	136.5	0	0	112.4	S178 K261 L263 R269	S178-E265 WeakPolarHBondContact OG-CG 3.48Å; K261-E265 HydrophobicContact CG-CG 4.35Å; K261-E265 IonicContact NZ-OE1 2.66Å; K261-E265 PolarHBondContact NZ-OE1 2.88Å; K261-E265 IonicContact NZ-OE2 2.64Å; K261-E265 PolarHBondContact NZ-OE2 2.93Å; K261-E265 WeakPolarHBondContact O-CB 3.01Å; K261-E265 WeakPolarHBondContact O-CG 3.47Å; K261-E265 PolarHBondContact O-N 3Å; L263-E265 VanDerWaalsContact C-N 3.35Å; L263-E265 PolarHBondContact O-N 3.41Å; E265-R269 WeakPolarHBondContact O-CB 3.49Å; E265-R269 VanDerWaalsContact O-CG 3.27Å; E265-R269 WeakPolarHBondContact O-CG 3.38Å; E265-R269 PolarHBondContact O-N 3.03Å; E265-R269 PolarHBondContact O-NE 2.85Å
266	A	98.2	Very high	96.6	Very high	18 Å²	18	48.1 Å²	48.1	15%	0.149	23%	0.227	C	C	.	.	H	α-helix	trans	-70.2	-42.7	176.7	0	0	0	0	0	112.1	A262 L263 S270 Y292	A262-A266 VanDerWaalsContact O-CB 3.27Å; A262-A266 WeakPolarHBondContact O-CB 3.46Å; A262-A266 PolarHBondContact O-N 3.09Å; L263-A266 PolarHBondContact O-N 3.46Å; A266-S270 WeakPolarHBondContact O-CB 3.47Å; A266-S270 PolarHBondContact O-N 3.2Å; A266-S270 PolarHBondContact O-OG 3.27Å; A266-Y292 HydrophobicContact CB-CD2 3.59Å; A266-Y292 HydrophobicContact CB-CE2 3.58Å
267	C	97.2	Very high	96.4	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.007	25%	0.249	C	C	.	.	H	α-helix	trans	-64.1	-48.5	175.6	-66.8	0	0	0	0	110.5	M174 L263 T264 R269 S270 I271 H288	M174-C267 HydrophobicContact CE-CB 4.22Å; M174-C267 HydrophobicContact CG-CB 4.02Å; M174-C267 HydrophobicContact SD-CB 3.89Å; L263-C267 WeakPolarHBondContact O-CB 3.14Å; L263-C267 PolarHBondContact O-N 2.84Å; L263-C267 PolarHBondContact O-SG 2.74Å; T264-C267 PolarHBondContact O-N 2.8Å; C267-R269 PolarHBondContact O-N 2.61Å; C267-S270 WeakPolarHBondContact O-CB 3.46Å; C267-S270 PolarHBondContact O-N 3Å; C267-S270 VanDerWaalsContact O-N 3.09Å; C267-I271 VanDerWaalsContact O-CG1 3.27Å; C267-I271 WeakPolarHBondContact O-CG1 3.41Å; C267-I271 PolarHBondContact O-N 2.94Å; C267-H288 HydrophobicContact CB-CB 4.34Å
268	Y	95.9	Very high	96.2	Very high	65 Å²	65	59.3 Å²	59.3	26%	0.255	28%	0.283	S	S	.	.	H	α-helix	trans	-56.2	-49.5	176.8	176	-112	0	0	0	112.2	M171 K175 T264 S270 I271 M272	M171-Y268 HydrophobicContact CB-CD2 4.3Å; M171-Y268 HydrophobicContact CB-CE2 4.38Å; K175-Y268 HydrophobicContact CB-CD2 3.77Å; K175-Y268 HydrophobicContact CB-CE2 3.81Å; K175-Y268 HydrophobicContact CB-CG 4.21Å; K175-Y268 HydrophobicContact CD-CE1 4.39Å; K175-Y268 HydrophobicContact CD-CE2 3.97Å; K175-Y268 HydrophobicContact CG-CD2 4.44Å; K175-Y268 HydrophobicContact CG-CE1 4.36Å; K175-Y268 HydrophobicContact CG-CE2 4.14Å; T264-Y268 WeakPolarHBondContact O-CB 3.35Å; T264-Y268 PolarHBondContact O-N 3.5Å; Y268-S270 VanDerWaalsContact C-N 3.27Å; Y268-S270 PolarHBondContact O-N 2.92Å; Y268-I271 PolarHBondContact O-N 2.91Å; Y268-M272 HydrophobicContact CD1-CG 4.45Å; Y268-M272 HydrophobicContact CD2-CG 4.07Å; Y268-M272 HydrophobicContact CE1-CG 4.02Å; Y268-M272 HydrophobicContact CE2-CG 3.61Å; Y268-M272 HydrophobicContact CE2-SD 3.81Å; Y268-M272 HydrophobicContact CG-CG 4.47Å; Y268-M272 WeakPolarHBondContact O-CG 3.46Å; Y268-M272 PolarHBondContact O-N 3.32Å
269	R	96.2	Very high	96	Very high	174 Å²	174	52.7 Å²	52.7	66%	0.657	26%	0.26	S	S	*	.	H	α-helix	trans	-59.2	-38.2	176.2	-76.1	-176.9	-64.4	176.3	0.2	112.8	E265 C267 A273	E265-R269 WeakPolarHBondContact O-CB 3.49Å; E265-R269 VanDerWaalsContact O-CG 3.27Å; E265-R269 WeakPolarHBondContact O-CG 3.38Å; E265-R269 PolarHBondContact O-N 3.03Å; E265-R269 PolarHBondContact O-NE 2.85Å; C267-R269 PolarHBondContact O-N 2.61Å; R269-A273 WeakPolarHBondContact O-CB 3.01Å; R269-A273 PolarHBondContact O-N 2.91Å
270	S	96	Very high	95.6	Very high	36 Å²	36	55.8 Å²	55.8	25%	0.252	27%	0.272	S	S	.	.	H	α-helix	trans	-69.2	-41.9	179.1	-59.4	0	0	0	0	111.9	A266 C267 Y268 A273 D274 H288	A266-S270 WeakPolarHBondContact O-CB 3.47Å; A266-S270 PolarHBondContact O-N 3.2Å; A266-S270 PolarHBondContact O-OG 3.27Å; C267-S270 WeakPolarHBondContact O-CB 3.46Å; C267-S270 PolarHBondContact O-N 3Å; C267-S270 VanDerWaalsContact O-N 3.09Å; Y268-S270 VanDerWaalsContact C-N 3.27Å; Y268-S270 PolarHBondContact O-N 2.92Å; S270-A273 PolarHBondContact O-N 3.3Å; S270-D274 PolarHBondContact O-N 2.84Å; S270-H288 VanDerWaalsContact CB-ND1 3.35Å; S270-H288 WeakPolarHBondContact CB-ND1 3.33Å
271	I	94.1	Very high	95.4	Very high	15 Å²	15	56 Å²	56	8%	0.077	27%	0.274	C	S	.	.	H	α-helix	trans	-63.4	-44.4	175.6	-68	162	0	0	0	110.4	M171 M174 C267 Y268 A273 D274 K275 H288	M171-I271 HydrophobicContact CB-CG2 3.63Å; M171-I271 HydrophobicContact CG-CG2 3.39Å; M171-I271 HydrophobicContact SD-CG2 3.55Å; M171-I271 VanDerWaalsContact SD-CG2 3.55Å; M174-I271 HydrophobicContact CG-CD1 4.25Å; C267-I271 VanDerWaalsContact O-CG1 3.27Å; C267-I271 WeakPolarHBondContact O-CG1 3.41Å; C267-I271 PolarHBondContact O-N 2.94Å; Y268-I271 PolarHBondContact O-N 2.91Å; I271-A273 PolarHBondContact O-N 3.12Å; I271-D274 PolarHBondContact O-N 3.43Å; I271-K275 PolarHBondContact O-N 3.42Å; I271-H288 HydrophobicContact CG1-CB 4.44Å; I271-H288 WeakPolarHBondContact CG1-CD2 3.46Å; I271-H288 WeakPolarHBondContact CG1-NE2 3.43Å
272	M	93.2	Very high	95.1	Very high	51 Å²	51	57.5 Å²	57.5	25%	0.251	28%	0.283	S	S	.	.	H	α-helix	trans	-62.6	-42	177.3	-71.6	-54.9	-58.5	0	0	112.1	M171 Y268 D274 K275 E276	M171-M272 HydrophobicContact SD-SD 3.96Å; Y268-M272 HydrophobicContact CD1-CG 4.45Å; Y268-M272 HydrophobicContact CD2-CG 4.07Å; Y268-M272 HydrophobicContact CE1-CG 4.02Å; Y268-M272 HydrophobicContact CE2-CG 3.61Å; Y268-M272 HydrophobicContact CE2-SD 3.81Å; Y268-M272 HydrophobicContact CG-CG 4.47Å; Y268-M272 WeakPolarHBondContact O-CG 3.46Å; Y268-M272 PolarHBondContact O-N 3.32Å; M272-D274 VanDerWaalsContact C-N 3.32Å; M272-D274 PolarHBondContact O-N 3.26Å; M272-K275 WeakPolarHBondContact O-CB 3.32Å; M272-K275 PolarHBondContact O-N 3.32Å; M272-E276 WeakPolarHBondContact O-CG 3.42Å; M272-E276 PolarHBondContact O-N 2.98Å
273	A	95.1	Very high	94.8	Very high	21 Å²	21	59.8 Å²	59.8	17%	0.174	28%	0.283	C	S	.	.	H	α-helix	trans	-64.5	-36.5	175	0	0	0	0	0	112.3	K238 R269 S270 I271 N277	K238-A273 HydrophobicContact CD-CB 4.47Å; K238-A273 HydrophobicContact CG-CB 3.89Å; R269-A273 WeakPolarHBondContact O-CB 3.01Å; R269-A273 PolarHBondContact O-N 2.91Å; S270-A273 PolarHBondContact O-N 3.3Å; I271-A273 PolarHBondContact O-N 3.12Å; A273-N277 PolarHBondContact O-N 3.26Å; A273-N277 PolarHBondContact O-ND2 2.72Å
274	D	95.1	Very high	94.5	Very high	3 Å²	3	62.5 Å²	62.5	2%	0.016	30%	0.296	C	S	.	.	H	α-helix	trans	-65.1	-44.7	173.5	-85.1	6.7	0	0	0	111	S237 K238 S270 I271 M272 E276 N277 E278 V279 H288	S237-D274 WeakPolarHBondContact CA-OD1 3.13Å; S237-D274 WeakPolarHBondContact CA-OD2 3.33Å; S237-D274 WeakPolarHBondContact CB-OD2 3.15Å; S237-D274 PolarHBondContact OG-OD2 2.88Å; K238-D274 WeakPolarHBondContact CB-OD1 3.29Å; K238-D274 VanDerWaalsContact CG-OD1 3.31Å; K238-D274 WeakPolarHBondContact CG-OD1 3.43Å; K238-D274 PolarHBondContact N-OD1 3.2Å; K238-D274 PolarHBondContact N-OD2 3.1Å; S270-D274 PolarHBondContact O-N 2.84Å; I271-D274 PolarHBondContact O-N 3.43Å; M272-D274 VanDerWaalsContact C-N 3.32Å; M272-D274 PolarHBondContact O-N 3.26Å; D274-E276 PolarHBondContact O-N 2.67Å; D274-N277 CarbonylContact O-C 3.42Å; D274-N277 PolarHBondContact O-N 3.46Å; D274-E278 PolarHBondContact O-N 3.26Å; D274-E278 VanDerWaalsContact O-N 3.14Å; D274-V279 CarbonylContact C-O 3.55Å; D274-V279 VanDerWaalsContact C-O 3.26Å; D274-V279 HydrophobicContact CB-CB 4.18Å; D274-V279 HydrophobicContact CB-CG1 4.44Å; D274-V279 WeakPolarHBondContact CB-O 3.49Å; D274-V279 PolarHBondContact O-N 3.41Å; D274-H288 IonicContact OD2-CE1 3.49Å; D274-H288 PolarHBondContact OD2-CE1 3.08Å; D274-H288 VanDerWaalsContact OD2-CE1 3.25Å; D274-H288 IonicContact OD2-NE2 3.02Å
275	K	90.4	Very high	94.2	Very high	96 Å²	96	63.1 Å²	63.1	42%	0.417	30%	0.299	S	S	.	.	H	α-helix	trans	-57.7	-46.6	175.6	-172.2	-179.9	-169.1	163.6	0	112.4	D168 M171 I271 M272 N277 E278	D168-K275 IonicContact OD1-NZ 2.94Å; D168-K275 PolarHBondContact OD1-NZ 3.46Å; M171-K275 HydrophobicContact CE-CD 3.68Å; M171-K275 VanDerWaalsContact CE-NZ 3.32Å; M171-K275 HydrophobicContact SD-CD 3.78Å; I271-K275 PolarHBondContact O-N 3.42Å; M272-K275 WeakPolarHBondContact O-CB 3.32Å; M272-K275 PolarHBondContact O-N 3.32Å; K275-N277 PolarHBondContact O-N 3.24Å; K275-E278 PolarHBondContact O-N 3.5Å
276	E	93	Very high	94.2	Very high	150 Å²	150	60.7 Å²	60.7	70%	0.701	29%	0.288	S	S	*	.	H	α-helix	trans	-60.9	-27.7	177.1	-75.1	172	-172.8	0	0	112.9	M272 D274	M272-E276 WeakPolarHBondContact O-CG 3.42Å; M272-E276 PolarHBondContact O-N 2.98Å; D274-E276 PolarHBondContact O-N 2.67Å
277	N	94.2	Very high	94.1	Very high	101 Å²	101	59.9 Å²	59.9	54%	0.54	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	10.9	177.7	-69.7	-66.4	0	0	0	113.4	A273 D274 K275 V279	A273-N277 PolarHBondContact O-N 3.26Å; A273-N277 PolarHBondContact O-ND2 2.72Å; D274-N277 CarbonylContact O-C 3.42Å; D274-N277 PolarHBondContact O-N 3.46Å; K275-N277 PolarHBondContact O-N 3.24Å; N277-V279 HydrophobicContact CB-CG2 4.24Å; N277-V279 PolarHBondContact O-N 2.93Å
278	E	93.9	Very high	94.1	Very high	190 Å²	190	60.2 Å²	60.2	89%	0.888	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	36.3	-176.5	-53.3	-178.3	137.9	0	0	112.8	D274 K275	D274-E278 PolarHBondContact O-N 3.26Å; D274-E278 VanDerWaalsContact O-N 3.14Å; K275-E278 PolarHBondContact O-N 3.5Å
279	V	93.9	Very high	94.2	Very high	17 Å²	17	57.1 Å²	57.1	10%	0.103	27%	0.27	C	S	.	.			trans	-111.1	147	177.1	179.5	0	0	0	0	109.7	K236 D274 N277	K236-V279 HydrophobicContact CB-CG2 3.68Å; K236-V279 HydrophobicContact CD-CG2 4.49Å; D274-V279 CarbonylContact C-O 3.55Å; D274-V279 VanDerWaalsContact C-O 3.26Å; D274-V279 HydrophobicContact CB-CB 4.18Å; D274-V279 HydrophobicContact CB-CG1 4.44Å; D274-V279 WeakPolarHBondContact CB-O 3.49Å; D274-V279 PolarHBondContact O-N 3.41Å; N277-V279 HydrophobicContact CB-CG2 4.24Å; N277-V279 PolarHBondContact O-N 2.93Å
280	E	91.4	Very high	94.4	Very high	87 Å²	87	48.9 Å²	48.9	41%	0.407	24%	0.239	S	C	.	.			trans	-134.5	124.6	177.2	-173.4	165.3	117.5	0	0	108.3	W166 Q167	W166-E280 HydrophobicContact CH2-CG 3.54Å; W166-E280 HydrophobicContact CZ2-CG 3.31Å; W166-E280 WeakPolarHBondContact CZ2-OE1 3.49Å; W166-E280 PolarHBondContact NE1-OE1 3.33Å; Q167-E280 VanDerWaalsContact CD-OE2 3.23Å; Q167-E280 HydrophobicContact CG-CG 4.32Å; Q167-E280 WeakPolarHBondContact CG-OE2 3.49Å; Q167-E280 VanDerWaalsContact NE2-CD 3.26Å; Q167-E280 PolarHBondContact NE2-OE1 3.22Å; Q167-E280 PolarHBondContact NE2-OE2 2.74Å
281	A	93.1	Very high	94.5	Very high	5 Å²	5	50.3 Å²	50.3	4%	0.041	24%	0.239	C	C	.	.			trans	-72.3	145.5	-179.3	0	0	0	0	0	111.1	D232 A239 W283 H284	D232-A281 WeakPolarHBondContact OD2-CA 3.28Å; A239-A281 HydrophobicContact CB-CB 3.9Å; A281-W283 PolarHBondContact O-N 3.36Å; A281-H284 PolarHBondContact O-CD2 2.91Å; A281-H284 PolarHBondContact O-N 3.43Å; A281-H284 VanDerWaalsContact O-N 3.08Å
282	L	93.1	Very high	94.7	Very high	66 Å²	66	51 Å²	51	35%	0.346	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-49.8	-171.3	-179.3	63.1	0	0	0	113.9	F16 D232	F16-L282 HydrophobicContact CE1-CD1 4.15Å; D232-L282 PolarHBondContact OD2-N 2.81Å
283	W	92.7	Very high	95	Very high	88 Å²	88	48.7 Å²	48.7	33%	0.333	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.6	39.3	176.1	-63.2	115.4	0	0	0	111.1	T20 T230 A281 D285 E286 S287	T20-W283 HydrophobicContact CG2-CZ2 4.28Å; T230-W283 VanDerWaalsContact CB-NE1 3.27Å; T230-W283 VanDerWaalsContact O-CD1 3.26Å; T230-W283 PolarHBondContact OG1-NE1 3.26Å; A281-W283 PolarHBondContact O-N 3.36Å; W283-D285 PolarHBondContact O-N 3.29Å; W283-E286 HydrophobicContact CB-CB 4.17Å; W283-E286 WeakPolarHBondContact O-CA 2.91Å; W283-E286 VanDerWaalsContact O-CB 3.23Å; W283-E286 WeakPolarHBondContact O-CB 3.12Å; W283-E286 PolarHBondContact O-N 3.08Å; W283-S287 PolarHBondContact N-OG 2.66Å; W283-S287 PolarHBondContact O-N 3Å
284	H	91.9	Very high	95.1	Very high	57 Å²	57	51.1 Å²	51.1	26%	0.264	23%	0.234	S	C	.	.	H	α-helix	trans	63.5	-133.2	157.4	-47	163.2	0	0	0	111.2	W166 A281 E286 S287 H288	W166-H284 AromaticContact CD2-CD2 3.94Å; W166-H284 AromaticContact CD2-CE1 3.42Å; W166-H284 VanDerWaalsContact CD2-CE1 3.42Å; W166-H284 AromaticContact CD2-CG 3.95Å; W166-H284 AromaticContact CD2-ND1 3.67Å; W166-H284 AromaticContact CD2-NE2 3.6Å; W166-H284 AromaticContact CE2-CD2 3.61Å; W166-H284 AromaticContact CE2-CE1 3.47Å; W166-H284 VanDerWaalsContact CE2-CE1 3.47Å; W166-H284 AromaticContact CE2-NE2 3.15Å; W166-H284 HydrophobicContact CE3-CB 3.8Å; W166-H284 AromaticContact CE3-CD2 3.61Å; W166-H284 AromaticContact CE3-CE1 3.51Å; W166-H284 AromaticContact CE3-CG 3.26Å; W166-H284 AromaticContact CE3-ND1 3.24Å; W166-H284 AromaticContact CE3-NE2 3.73Å; W166-H284 HydrophobicContact CH2-CB 3.69Å; W166-H284 AromaticContact CH2-CD2 2.76Å; W166-H284 WeakPolarHBondContact CH2-CD2 3.33Å; W166-H284 AromaticContact CH2-CE1 3.96Å; W166-H284 AromaticContact CH2-CG 3.19Å; W166-H284 AromaticContact CH2-ND1 3.94Å; W166-H284 AromaticContact CH2-NE2 3.32Å; W166-H284 VanDerWaalsContact CH2-NE2 3.32Å; W166-H284 WeakPolarHBondContact CH2-NE2 3.32Å; W166-H284 AromaticContact CZ2-CD2 2.91Å; W166-H284 WeakPolarHBondContact CZ2-CD2 3.44Å; W166-H284 AromaticContact CZ2-CE1 3.63Å; W166-H284 AromaticContact CZ2-CG 3.66Å; W166-H284 AromaticContact CZ2-NE2 2.88Å; W166-H284 WeakPolarHBondContact CZ2-NE2 2.88Å; W166-H284 HydrophobicContact CZ3-CB 3.19Å; W166-H284 AromaticContact CZ3-CD2 3.14Å; W166-H284 WeakPolarHBondContact CZ3-CD2 3.42Å; W166-H284 AromaticContact CZ3-CE1 3.89Å; W166-H284 AromaticContact CZ3-CG 2.95Å; W166-H284 AromaticContact CZ3-ND1 3.52Å; W166-H284 AromaticContact CZ3-NE2 3.71Å; W166-H284 AromaticContact NE1-NE2 3.86Å; A281-H284 PolarHBondContact O-CD2 2.91Å; A281-H284 PolarHBondContact O-N 3.43Å; A281-H284 VanDerWaalsContact O-N 3.08Å; H284-E286 PolarHBondContact O-N 3.08Å; H284-S287 WeakPolarHBondContact O-CB 3.39Å; H284-S287 PolarHBondContact O-N 3.2Å; H284-H288 PolarHBondContact O-CD2 3.05Å; H284-H288 PolarHBondContact O-N 3.1Å
285	D	92.1	Very high	95.2	Very high	13 Å²	13	55.6 Å²	55.6	7%	0.07	26%	0.258	C	S	.	.	H	α-helix	trans	-57.5	-33.7	173.9	42.7	-44	0	0	0	112.8	S170 R173 M174 W283 S287 H288 L289	S170-D285 WeakPolarHBondContact OG-CB 2.76Å; S170-D285 PolarHBondContact OG-N 2.94Å; S170-D285 VanDerWaalsContact OG-N 3.08Å; S170-D285 PolarHBondContact OG-OD1 3.44Å; R173-D285 IonicContact CZ-OD2 2.63Å; R173-D285 IonicContact NH1-OD2 2.64Å; R173-D285 PolarHBondContact NH1-OD2 3.44Å; R173-D285 IonicContact NH2-OD2 2.85Å; M174-D285 HydrophobicContact CE-CB 3.69Å; W283-D285 PolarHBondContact O-N 3.29Å; D285-S287 VanDerWaalsContact C-N 3.34Å; D285-S287 PolarHBondContact O-N 3.45Å; D285-H288 PolarHBondContact O-N 3.43Å; D285-L289 VanDerWaalsContact O-CB 3.32Å; D285-L289 WeakPolarHBondContact O-CB 3.14Å; D285-L289 PolarHBondContact O-N 2.96Å
286	E	96.6	Very high	95.6	Very high	21 Å²	21	55.6 Å²	55.6	10%	0.098	26%	0.259	C	S	.	.	H	α-helix	trans	-65	-37.8	178.7	-172.2	169.3	94	0	0	112.6	H218 Y247 Y248 H249 A250 W283 H284 H288 L289 N290	H218-E286 IonicContact CD2-OE1 2.68Å; H218-E286 IonicContact CD2-OE2 2.78Å; Y247-E286 HydrophobicContact CE1-CG 4.47Å; Y247-E286 WeakPolarHBondContact CE1-OE1 3.1Å; Y247-E286 VanDerWaalsContact CZ-OE1 3.22Å; Y247-E286 PolarHBondContact OH-OE1 2.92Å; Y248-E286 WeakPolarHBondContact O-CG 3.28Å; H249-E286 WeakPolarHBondContact CA-OE2 3.25Å; H249-E286 IonicContact CD2-OE2 2.91Å; H249-E286 PolarHBondContact CD2-OE2 3.4Å; H249-E286 VanDerWaalsContact CD2-OE2 3.23Å; H249-E286 IonicContact CG-OE2 3.28Å; A250-E286 HydrophobicContact CB-CB 3.59Å; A250-E286 HydrophobicContact CB-CG 3.93Å; A250-E286 PolarHBondContact N-OE2 2.88Å; W283-E286 HydrophobicContact CB-CB 4.17Å; W283-E286 WeakPolarHBondContact O-CA 2.91Å; W283-E286 VanDerWaalsContact O-CB 3.23Å; W283-E286 WeakPolarHBondContact O-CB 3.12Å; W283-E286 PolarHBondContact O-N 3.08Å; H284-E286 PolarHBondContact O-N 3.08Å; E286-H288 PolarHBondContact O-N 3.21Å; E286-L289 PolarHBondContact O-N 3.26Å; E286-N290 WeakPolarHBondContact CG-ND2 2.93Å; E286-N290 WeakPolarHBondContact O-CB 3.24Å; E286-N290 PolarHBondContact O-N 3.12Å; E286-N290 PolarHBondContact O-ND2 2.89Å
287	S	97.2	Very high	95.8	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.007	24%	0.242	C	C	.	.	H	α-helix	trans	-60.4	-46.2	173.1	-72.2	0	0	0	0	111.2	W283 H284 D285 R291	W283-S287 PolarHBondContact N-OG 2.66Å; W283-S287 PolarHBondContact O-N 3Å; H284-S287 WeakPolarHBondContact O-CB 3.39Å; H284-S287 PolarHBondContact O-N 3.2Å; D285-S287 VanDerWaalsContact C-N 3.34Å; D285-S287 PolarHBondContact O-N 3.45Å; S287-R291 PolarHBondContact O-N 3.11Å; S287-R291 VanDerWaalsContact O-N 3.09Å
288	H	97.8	Very high	96	Very high	7 Å²	7	47.4 Å²	47.4	3%	0.032	22%	0.216	C	C	.	.	H	α-helix	trans	-69.8	-36.1	179.2	-67	-78.1	0	0	0	112.6	C267 S270 I271 D274 H284 D285 E286 R291 Y292	C267-H288 HydrophobicContact CB-CB 4.34Å; S270-H288 VanDerWaalsContact CB-ND1 3.35Å; S270-H288 WeakPolarHBondContact CB-ND1 3.33Å; I271-H288 HydrophobicContact CG1-CB 4.44Å; I271-H288 WeakPolarHBondContact CG1-CD2 3.46Å; I271-H288 WeakPolarHBondContact CG1-NE2 3.43Å; D274-H288 IonicContact OD2-CE1 3.49Å; D274-H288 PolarHBondContact OD2-CE1 3.08Å; D274-H288 VanDerWaalsContact OD2-CE1 3.25Å; D274-H288 IonicContact OD2-NE2 3.02Å; H284-H288 PolarHBondContact O-CD2 3.05Å; H284-H288 PolarHBondContact O-N 3.1Å; D285-H288 PolarHBondContact O-N 3.43Å; E286-H288 PolarHBondContact O-N 3.21Å; H288-R291 WeakPolarHBondContact O-CB 2.97Å; H288-R291 PolarHBondContact O-N 3.13Å; H288-Y292 WeakPolarHBondContact O-CB 3.39Å; H288-Y292 PolarHBondContact O-N 2.97Å
289	L	98.3	Very high	96.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.1	-47.1	174.8	-177.1	73.7	0	0	0	111.3	A250 F253 L263 D285 E286 R291 Y292 F293	A250-L289 VanDerWaalsContact CA-CD2 3.44Å; A250-L289 HydrophobicContact CB-CD2 3.77Å; F253-L289 HydrophobicContact CB-CD1 4.43Å; F253-L289 HydrophobicContact CD1-CD1 4.48Å; F253-L289 HydrophobicContact CG-CD1 4.32Å; L263-L289 HydrophobicContact CD1-CD1 3.78Å; L263-L289 HydrophobicContact CD2-CD1 3.74Å; L263-L289 HydrophobicContact CG-CD1 4.12Å; D285-L289 VanDerWaalsContact O-CB 3.32Å; D285-L289 WeakPolarHBondContact O-CB 3.14Å; D285-L289 PolarHBondContact O-N 2.96Å; E286-L289 PolarHBondContact O-N 3.26Å; L289-R291 VanDerWaalsContact C-N 3.31Å; L289-R291 PolarHBondContact O-N 3.47Å; L289-Y292 WeakPolarHBondContact O-CB 3.23Å; L289-Y292 PolarHBondContact O-N 3.34Å; L289-Y292 VanDerWaalsContact O-N 3.12Å; L289-F293 HydrophobicContact CD1-CD2 4.01Å; L289-F293 HydrophobicContact CD1-CE2 3.47Å; L289-F293 VanDerWaalsContact CD1-CE2 3.47Å; L289-F293 HydrophobicContact CD1-CZ 4.07Å; L289-F293 HydrophobicContact CD2-CE2 4.08Å; L289-F293 HydrophobicContact CG-CD2 3.83Å; L289-F293 HydrophobicContact CG-CE2 3.64Å; L289-F293 PolarHBondContact O-N 3Å
290	N	98.6	Very high	96.4	Very high	2 Å²	2	39 Å²	39	1%	0.011	18%	0.179	C	C	.	.	H	α-helix	trans	-60.9	-42.4	176.6	-86.1	-81.8	0	0	0	111.5	Y231 M241 Y248 E286 Y292 F293 W294	Y231-N290 HydrophobicContact CD1-CB 3.94Å; Y231-N290 HydrophobicContact CE1-CB 3.81Å; Y231-N290 WeakPolarHBondContact CE1-OD1 3.35Å; M241-N290 HydrophobicContact SD-CB 4.22Å; Y248-N290 WeakPolarHBondContact CD2-OD1 3.49Å; Y248-N290 PolarHBondContact N-OD1 3.03Å; Y248-N290 PolarHBondContact O-ND2 2.99Å; E286-N290 WeakPolarHBondContact CG-ND2 2.93Å; E286-N290 WeakPolarHBondContact O-CB 3.24Å; E286-N290 PolarHBondContact O-N 3.12Å; E286-N290 PolarHBondContact O-ND2 2.89Å; N290-Y292 VanDerWaalsContact C-N 3.33Å; N290-Y292 PolarHBondContact O-N 2.92Å; N290-F293 PolarHBondContact O-N 3.44Å; N290-W294 WeakPolarHBondContact O-CB 3.22Å; N290-W294 PolarHBondContact O-N 3.31Å
291	R	98.4	Very high	96.7	Very high	66 Å²	66	34.8 Å²	34.8	25%	0.249	16%	0.159	C	C	.	.	H	α-helix	trans	-60.4	-43	173	178.2	69.2	-175.2	-168.8	6	111.8	F240 M241 S287 H288 L289 W294 L295	F240-R291 PolarHBondContact O-NH1 3.01Å; M241-R291 HydrophobicContact CG-CB 4.35Å; M241-R291 WeakPolarHBondContact SD-CA 3.31Å; M241-R291 HydrophobicContact SD-CB 4.02Å; M241-R291 PolarHBondContact SD-N 2.98Å; M241-R291 VanDerWaalsContact SD-N 3.44Å; S287-R291 PolarHBondContact O-N 3.11Å; S287-R291 VanDerWaalsContact O-N 3.09Å; H288-R291 WeakPolarHBondContact O-CB 2.97Å; H288-R291 PolarHBondContact O-N 3.13Å; L289-R291 VanDerWaalsContact C-N 3.31Å; L289-R291 PolarHBondContact O-N 3.47Å; R291-W294 PolarHBondContact O-N 2.73Å; R291-L295 WeakPolarHBondContact O-CG 2.89Å; R291-L295 PolarHBondContact O-N 2.85Å
292	Y	98.7	Very high	97	Very high	30 Å²	30	34.6 Å²	34.6	12%	0.118	16%	0.158	C	C	.	.	H	α-helix	trans	-61.8	-52	178.5	-178.3	-90.2	0	0	0	111.3	L263 A266 H288 L289 N290 W294 L295 H296	L263-Y292 HydrophobicContact CB-CD1 4.1Å; L263-Y292 HydrophobicContact CB-CE1 3.64Å; L263-Y292 HydrophobicContact CB-CE2 4.35Å; L263-Y292 HydrophobicContact CD1-CD1 3.86Å; L263-Y292 HydrophobicContact CD1-CE1 3.9Å; L263-Y292 HydrophobicContact CG-CD1 3.65Å; L263-Y292 HydrophobicContact CG-CE1 3.72Å; L263-Y292 HydrophobicContact CG-CG 4.15Å; A266-Y292 HydrophobicContact CB-CD2 3.59Å; A266-Y292 HydrophobicContact CB-CE2 3.58Å; H288-Y292 WeakPolarHBondContact O-CB 3.39Å; H288-Y292 PolarHBondContact O-N 2.97Å; L289-Y292 WeakPolarHBondContact O-CB 3.23Å; L289-Y292 PolarHBondContact O-N 3.34Å; L289-Y292 VanDerWaalsContact O-N 3.12Å; N290-Y292 VanDerWaalsContact C-N 3.33Å; N290-Y292 PolarHBondContact O-N 2.92Å; Y292-W294 VanDerWaalsContact C-N 3.28Å; Y292-W294 PolarHBondContact O-N 2.68Å; Y292-L295 PolarHBondContact O-N 2.63Å; Y292-L295 VanDerWaalsContact O-N 3.11Å; Y292-H296 HydrophobicContact CD1-CB 4.27Å; Y292-H296 AromaticContact CD2-ND1 3.57Å; Y292-H296 HydrophobicContact CE1-CB 3.82Å; Y292-H296 AromaticContact CE2-CE1 3.82Å; Y292-H296 AromaticContact CE2-CG 3.99Å; Y292-H296 AromaticContact CE2-ND1 3.46Å; Y292-H296 WeakPolarHBondContact CE2-ND1 3.35Å; Y292-H296 AromaticContact CG-ND1 3.99Å; Y292-H296 AromaticContact CZ-CG 3.85Å; Y292-H296 AromaticContact CZ-ND1 3.79Å; Y292-H296 WeakPolarHBondContact O-CB 3.31Å; Y292-H296 PolarHBondContact O-N 3.47Å; Y292-H296 PolarHBondContact O-ND1 2.64Å; Y292-H296 VanDerWaalsContact O-ND1 3.16Å
293	F	98.6	Very high	97.3	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	14%	0.141	C	C	.	.	H	α-helix	trans	-68.4	-26	-179.2	-75	-47.4	0	0	0	113.8	S213 A215 Y248 F253 L263 L289 N290 L295 H296 P298	S213-F293 WeakPolarHBondContact OG-CE1 3.43Å; A215-F293 HydrophobicContact CB-CD1 4.32Å; A215-F293 HydrophobicContact CB-CD2 3.75Å; A215-F293 HydrophobicContact CB-CE1 4.11Å; A215-F293 HydrophobicContact CB-CE2 3.48Å; A215-F293 VanDerWaalsContact CB-CE2 3.48Å; A215-F293 HydrophobicContact CB-CG 4.17Å; A215-F293 HydrophobicContact CB-CZ 3.68Å; Y248-F293 HydrophobicContact CD2-CB 3.68Å; Y248-F293 AromaticContact CD2-CD2 3.82Å; Y248-F293 HydrophobicContact CD2-CD2 3.82Å; Y248-F293 HydrophobicContact CD2-CG 4.16Å; Y248-F293 HydrophobicContact CE2-CB 3.44Å; Y248-F293 VanDerWaalsContact CE2-CB 3.44Å; Y248-F293 HydrophobicContact CE2-CD2 4.33Å; Y248-F293 HydrophobicContact CE2-CG 4.23Å; Y248-F293 HydrophobicContact CG-CD2 4.02Å; F253-F293 HydrophobicContact CB-CZ 4.37Å; L263-F293 HydrophobicContact CD1-CE1 3.71Å; L263-F293 HydrophobicContact CD1-CE2 4.26Å; L263-F293 HydrophobicContact CD1-CZ 3.5Å; L263-F293 VanDerWaalsContact CD1-CZ 3.5Å; L289-F293 HydrophobicContact CD1-CD2 4.01Å; L289-F293 HydrophobicContact CD1-CE2 3.47Å; L289-F293 VanDerWaalsContact CD1-CE2 3.47Å; L289-F293 HydrophobicContact CD1-CZ 4.07Å; L289-F293 HydrophobicContact CD2-CE2 4.08Å; L289-F293 HydrophobicContact CG-CD2 3.83Å; L289-F293 HydrophobicContact CG-CE2 3.64Å; L289-F293 PolarHBondContact O-N 3Å; N290-F293 PolarHBondContact O-N 3.44Å; F293-L295 VanDerWaalsContact C-N 3.33Å; F293-H296 WeakPolarHBondContact CA-O 3.43Å; F293-H296 CarbonylContact O-C 3.26Å; F293-P298 HydrophobicContact CD1-CB 3.92Å; F293-P298 HydrophobicContact CD1-CG 4.18Å; F293-P298 HydrophobicContact CE1-CB 4.01Å
294	W	98	Very high	97.6	Very high	72 Å²	72	27.3 Å²	27.3	27%	0.273	13%	0.125	S	C	.	.	H	α-helix	trans	-65.5	-38.6	171.2	-179.5	58.4	0	0	0	112	M241 T243 N290 R291 Y292 K297	M241-W294 HydrophobicContact CE-CB 3.54Å; M241-W294 HydrophobicContact CE-CD2 4.05Å; M241-W294 HydrophobicContact CE-CG 3.64Å; M241-W294 HydrophobicContact CG-CE3 4.39Å; M241-W294 HydrophobicContact SD-CB 4.33Å; T243-W294 HydrophobicContact CG2-CZ2 4.32Å; N290-W294 WeakPolarHBondContact O-CB 3.22Å; N290-W294 PolarHBondContact O-N 3.31Å; R291-W294 PolarHBondContact O-N 2.73Å; Y292-W294 VanDerWaalsContact C-N 3.28Å; Y292-W294 PolarHBondContact O-N 2.68Å; W294-K297 WeakPolarHBondContact O-CE 2.98Å; W294-K297 PolarHBondContact O-NZ 3.21Å
295	L	98.2	Very high	97.9	Very high	97 Å²	97	24.6 Å²	24.6	51%	0.508	11%	0.113	S	C	.	.	H	α-helix	trans	-82.3	-34.3	177.1	-64.2	175.2	0	0	0	112.9	R291 Y292 F293	R291-L295 WeakPolarHBondContact O-CG 2.89Å; R291-L295 PolarHBondContact O-N 2.85Å; Y292-L295 PolarHBondContact O-N 2.63Å; Y292-L295 VanDerWaalsContact O-N 3.11Å; F293-L295 VanDerWaalsContact C-N 3.33Å
296	H	98	Very high	98.2	Very high	96 Å²	96	24 Å²	24	44%	0.444	11%	0.109	S	C	.	.	S	Bend	trans	-122.2	88.8	-176.5	-52.3	90.6	0	0	0	108.5	Y292 F293	Y292-H296 HydrophobicContact CD1-CB 4.27Å; Y292-H296 AromaticContact CD2-ND1 3.57Å; Y292-H296 HydrophobicContact CE1-CB 3.82Å; Y292-H296 AromaticContact CE2-CE1 3.82Å; Y292-H296 AromaticContact CE2-CG 3.99Å; Y292-H296 AromaticContact CE2-ND1 3.46Å; Y292-H296 WeakPolarHBondContact CE2-ND1 3.35Å; Y292-H296 AromaticContact CG-ND1 3.99Å; Y292-H296 AromaticContact CZ-CG 3.85Å; Y292-H296 AromaticContact CZ-ND1 3.79Å; Y292-H296 WeakPolarHBondContact O-CB 3.31Å; Y292-H296 PolarHBondContact O-N 3.47Å; Y292-H296 PolarHBondContact O-ND1 2.64Å; Y292-H296 VanDerWaalsContact O-ND1 3.16Å; F293-H296 WeakPolarHBondContact CA-O 3.43Å; F293-H296 CarbonylContact O-C 3.26Å
297	K	98	Very high	98.3	Very high	79 Å²	79	23 Å²	23	34%	0.343	11%	0.105	S	C	.	.			trans	-56.9	127.2	-172.9	-58.1	-51.5	-170.6	-165.8	0	111	W74 D245 W294	W74-K297 HydrophobicContact CB-CB 4.46Å; W74-K297 HydrophobicContact CB-CG 4.31Å; W74-K297 HydrophobicContact CD2-CB 3.82Å; W74-K297 HydrophobicContact CD2-CD 4.1Å; W74-K297 HydrophobicContact CD2-CG 3.96Å; W74-K297 HydrophobicContact CE3-CD 4.04Å; W74-K297 HydrophobicContact CE3-CG 4.34Å; W74-K297 HydrophobicContact CG-CB 3.73Å; W74-K297 HydrophobicContact CG-CG 3.96Å; W74-K297 HydrophobicContact CZ2-CB 4.48Å; W74-K297 HydrophobicContact CZ3-CD 4.33Å; D245-K297 IonicContact OD1-NZ 2.7Å; D245-K297 IonicContact OD2-NZ 4Å; D245-K297 PolarHBondContact OD2-NZ 2.79Å; W294-K297 WeakPolarHBondContact O-CE 2.98Å; W294-K297 PolarHBondContact O-NZ 3.21Å
298	P	98	Very high	98.3	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.105	C	C	.	.			trans	-67	140.1	179.9	27.7	-34.2	0	0	0	110.3	W74 A76 A215 Y248 F293 R300 V301	W74-P298 HydrophobicContact CZ2-CG 3.89Å; W74-P298 PolarHBondContact NE1-O 2.89Å; A76-P298 WeakPolarHBondContact CB-O 3.39Å; A215-P298 HydrophobicContact CB-CB 3.82Å; A215-P298 HydrophobicContact CB-CG 3.78Å; Y248-P298 HydrophobicContact CE1-CG 4.4Å; F293-P298 HydrophobicContact CD1-CB 3.92Å; F293-P298 HydrophobicContact CD1-CG 4.18Å; F293-P298 HydrophobicContact CE1-CB 4.01Å; P298-R300 PolarHBondContact O-N 3.48Å; P298-V301 HydrophobicContact CG-CG2 3.88Å
299	S	97.6	Very high	98.2	Very high	28 Å²	28	23.4 Å²	23.4	20%	0.196	11%	0.107	C	C	.	.	S	Bend	trans	-71.9	-16.8	177.2	68	0	0	0	0	113.2	A76 P77 D212 S213	A76-S299 WeakPolarHBondContact CB-O 3.05Å; P77-S299 WeakPolarHBondContact CD-O 3.19Å; D212-S299 PolarHBondContact N-OG 3.34Å; S213-S299 PolarHBondContact N-OG 3.26Å; S213-S299 PolarHBondContact O-N 2.87Å; S213-S299 PolarHBondContact O-OG 2.87Å
300	R	97.8	Very high	97.9	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.008	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	137.8	179.8	-174.8	164.6	-62.8	-122.9	-1	109.7	N54 D57 I79 E208 A209 L210 S213 V214 A215 P298 L302	N54-R300 PolarHBondContact ND2-NH2 3.2Å; D57-R300 IonicContact OD1-CZ 3.82Å; D57-R300 IonicContact OD1-NH1 2.67Å; D57-R300 PolarHBondContact OD1-NH1 3.43Å; D57-R300 IonicContact OD1-NH2 3.66Å; D57-R300 PolarHBondContact OD1-NH2 2.8Å; D57-R300 IonicContact OD2-CZ 3.89Å; D57-R300 IonicContact OD2-NH2 3.49Å; D57-R300 PolarHBondContact OD2-NH2 3.44Å; I79-R300 HydrophobicContact CD1-CG 4.39Å; I79-R300 HydrophobicContact CG1-CG 3.79Å; E208-R300 PolarHBondContact O-NH1 2.76Å; A209-R300 VanDerWaalsContact O-CD 3.29Å; A209-R300 WeakPolarHBondContact O-CD 3.21Å; L210-R300 PolarHBondContact O-NE 3.37Å; L210-R300 PolarHBondContact O-NH2 3.28Å; S213-R300 PolarHBondContact O-N 3.11Å; V214-R300 WeakPolarHBondContact CA-O 3.47Å; V214-R300 HydrophobicContact CG2-CB 4.27Å; A215-R300 PolarHBondContact N-O 2.95Å; P298-R300 PolarHBondContact O-N 3.48Å; R300-L302 HydrophobicContact CG-CD2 4.42Å
301	V	98.7	Very high	97.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	133.8	175.6	-179.6	0	0	0	0	108.3	T72 W74 P77 I78 I79 A215 L217 Y248 P298	T72-V301 HydrophobicContact CG2-CG2 3.97Å; W74-V301 HydrophobicContact CZ2-CG2 4.26Å; P77-V301 PolarHBondContact O-N 2.9Å; I78-V301 CarbonylContact C-O 3.57Å; I78-V301 VanDerWaalsContact CA-O 3.27Å; I78-V301 WeakPolarHBondContact CA-O 3.38Å; I78-V301 HydrophobicContact CB-CB 4.47Å; I78-V301 HydrophobicContact CG1-CB 4.07Å; I78-V301 HydrophobicContact CG1-CG1 4.32Å; I78-V301 HydrophobicContact CG2-CB 4.41Å; I78-V301 HydrophobicContact CG2-CG1 4.16Å; I79-V301 PolarHBondContact N-O 3.47Å; A215-V301 CarbonylContact O-C 3.56Å; A215-V301 VanDerWaalsContact O-CA 3.29Å; A215-V301 WeakPolarHBondContact O-CA 3.34Å; L217-V301 HydrophobicContact CD1-CG1 4.2Å; L217-V301 HydrophobicContact CD2-CG1 3.71Å; L217-V301 HydrophobicContact CG-CG1 3.57Å; Y248-V301 HydrophobicContact CE1-CG1 4.47Å; Y248-V301 HydrophobicContact CE1-CG2 4.49Å; P298-V301 HydrophobicContact CG-CG2 3.88Å
302	L	98.9	Very high	97.1	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	136.2	175.6	-54.9	-177.2	0	0	0	109.5	I79 F193 F205 A209 V214 A215 L216 L217 R300 Y306	I79-L302 HydrophobicContact CB-CD2 4.22Å; I79-L302 HydrophobicContact CG1-CD2 4.27Å; F193-L302 HydrophobicContact CE1-CD1 4.25Å; F205-L302 HydrophobicContact CZ-CD1 3.96Å; A209-L302 HydrophobicContact CB-CD1 4.25Å; A209-L302 HydrophobicContact CB-CD2 3.84Å; V214-L302 HydrophobicContact CG1-CD1 3.87Å; V214-L302 HydrophobicContact CG1-CD2 4.08Å; V214-L302 HydrophobicContact CG1-CG 3.72Å; A215-L302 PolarHBondContact O-N 3.47Å; L216-L302 HydrophobicContact CD1-CB 4.04Å; L217-L302 PolarHBondContact N-O 2.84Å; R300-L302 HydrophobicContact CG-CD2 4.42Å; L302-Y306 HydrophobicContact CB-CD2 3.86Å; L302-Y306 HydrophobicContact CB-CG 3.89Å; L302-Y306 HydrophobicContact CD1-CD1 4.05Å; L302-Y306 HydrophobicContact CD1-CG 4.08Å; L302-Y306 HydrophobicContact CD2-CD1 4.49Å; L302-Y306 HydrophobicContact CD2-CD2 4.43Å; L302-Y306 HydrophobicContact CD2-CE1 4.46Å; L302-Y306 HydrophobicContact CD2-CE2 4.39Å; L302-Y306 HydrophobicContact CD2-CG 4.48Å; L302-Y306 HydrophobicContact CG-CG 4.37Å
303	S	98.8	Very high	96.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.152	C	C	.	.			trans	-65.6	166.2	172.8	74.3	0	0	0	0	111.8	I79 L216 E305 Y306	I79-S303 WeakPolarHBondContact O-CB 3.29Å; I79-S303 PolarHBondContact O-N 2.5Å; I79-S303 VanDerWaalsContact O-N 3.14Å; I79-S303 PolarHBondContact O-OG 3.35Å; I79-S303 VanDerWaalsContact O-OG 3.11Å; L216-S303 WeakPolarHBondContact CD1-O 3.48Å; S303-E305 PolarHBondContact O-N 2.81Å; S303-E305 VanDerWaalsContact O-N 3.09Å; S303-E305 VanDerWaalsContact OG-CB 3.28Å; S303-E305 WeakPolarHBondContact OG-CB 3.45Å; S303-E305 WeakPolarHBondContact OG-CG 3.46Å; S303-E305 PolarHBondContact OG-N 3.09Å; S303-E305 PolarHBondContact OG-OE2 3.16Å; S303-Y306 WeakPolarHBondContact O-CB 3.42Å; S303-Y306 PolarHBondContact O-N 2.89Å; S303-Y306 VanDerWaalsContact O-N 3.07Å
304	P	98.5	Very high	96.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-61.3	-11.8	171.8	-21.9	33.8	0	0	0	114.9	W80 L217 A219 Y222 Y306 C307 W308 I318	W80-P304 HydrophobicContact CH2-CG 4.38Å; L217-P304 HydrophobicContact CB-CG 4.21Å; A219-P304 HydrophobicContact CB-CB 4.15Å; Y222-P304 HydrophobicContact CD1-CB 4.38Å; Y222-P304 HydrophobicContact CD1-CG 3.58Å; Y222-P304 HydrophobicContact CD2-CG 3.87Å; Y222-P304 HydrophobicContact CE1-CG 4.02Å; Y222-P304 HydrophobicContact CE2-CG 4.25Å; Y222-P304 HydrophobicContact CG-CG 3.48Å; Y222-P304 VanDerWaalsContact CG-CG 3.48Å; P304-Y306 PolarHBondContact O-N 3.22Å; P304-C307 CarbonylContact O-C 3.59Å; P304-C307 PolarHBondContact O-N 2.77Å; P304-W308 HydrophobicContact CB-CE3 3.71Å; P304-W308 HydrophobicContact CB-CZ3 3.75Å; P304-W308 PolarHBondContact O-N 2.76Å; P304-I318 HydrophobicContact CB-CD1 3.86Å; P304-I318 HydrophobicContact CG-CD1 4.39Å
305	E	98.7	Very high	96	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-59.9	-25.6	171.1	-62.7	167.7	149.1	0	0	111.6	R65 W80 E81 S303 I318 Q319 V320 R322	R65-E305 IonicContact NH1-OE1 3.45Å; R65-E305 PolarHBondContact NH1-OE1 2.95Å; W80-E305 VanDerWaalsContact CA-OE2 3.31Å; W80-E305 WeakPolarHBondContact CA-OE2 3.16Å; W80-E305 HydrophobicContact CE3-CG 4.15Å; W80-E305 HydrophobicContact CZ3-CG 4.34Å; E81-E305 PolarHBondContact N-OE2 3.5Å; S303-E305 PolarHBondContact O-N 2.81Å; S303-E305 VanDerWaalsContact O-N 3.09Å; S303-E305 VanDerWaalsContact OG-CB 3.28Å; S303-E305 WeakPolarHBondContact OG-CB 3.45Å; S303-E305 WeakPolarHBondContact OG-CG 3.46Å; S303-E305 PolarHBondContact OG-N 3.09Å; S303-E305 PolarHBondContact OG-OE2 3.16Å; E305-I318 HydrophobicContact CG-CD1 4.22Å; E305-I318 HydrophobicContact CG-CG2 3.98Å; E305-Q319 PolarHBondContact OE1-N 3.2Å; E305-Q319 VanDerWaalsContact OE1-N 3.11Å; E305-V320 HydrophobicContact CB-CG1 4.27Å; E305-V320 VanDerWaalsContact CB-O 3.24Å; E305-V320 WeakPolarHBondContact CB-O 3.46Å; E305-V320 HydrophobicContact CG-CG1 4.45Å; E305-V320 WeakPolarHBondContact CG-O 3.48Å; E305-R322 WeakPolarHBondContact O-CB 3.47Å; E305-R322 PolarHBondContact O-N 2.65Å
306	Y	98.8	Very high	95.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-83.9	-4.4	177.2	-71.4	-94.6	0	0	0	114.1	I79 F205 E208 A209 I252 L302 S303 P304 R322 L323	I79-Y306 HydrophobicContact CB-CE2 4.31Å; I79-Y306 HydrophobicContact CG2-CE2 3.98Å; I79-Y306 WeakPolarHBondContact CG2-OH 3.46Å; F205-Y306 AromaticContact CD2-CD1 3.67Å; F205-Y306 HydrophobicContact CD2-CD1 3.67Å; F205-Y306 HydrophobicContact CD2-CE1 4.32Å; F205-Y306 HydrophobicContact CE1-CD1 4.49Å; F205-Y306 AromaticContact CE2-CD1 3.61Å; F205-Y306 HydrophobicContact CE2-CD1 3.61Å; F205-Y306 HydrophobicContact CE2-CE1 4.46Å; F205-Y306 HydrophobicContact CE2-CG 4.47Å; F205-Y306 HydrophobicContact CG-CD1 4.17Å; F205-Y306 HydrophobicContact CG-CE1 4.36Å; F205-Y306 HydrophobicContact CZ-CD1 4.03Å; E208-Y306 WeakPolarHBondContact CG-OH 3.43Å; A209-Y306 HydrophobicContact CB-CE1 4.06Å; I252-Y306 WeakPolarHBondContact CD1-O 3.24Å; L302-Y306 HydrophobicContact CB-CD2 3.86Å; L302-Y306 HydrophobicContact CB-CG 3.89Å; L302-Y306 HydrophobicContact CD1-CD1 4.05Å; L302-Y306 HydrophobicContact CD1-CG 4.08Å; L302-Y306 HydrophobicContact CD2-CD1 4.49Å; L302-Y306 HydrophobicContact CD2-CD2 4.43Å; L302-Y306 HydrophobicContact CD2-CE1 4.46Å; L302-Y306 HydrophobicContact CD2-CE2 4.39Å; L302-Y306 HydrophobicContact CD2-CG 4.48Å; L302-Y306 HydrophobicContact CG-CG 4.37Å; S303-Y306 WeakPolarHBondContact O-CB 3.42Å; S303-Y306 PolarHBondContact O-N 2.89Å; S303-Y306 VanDerWaalsContact O-N 3.07Å; P304-Y306 PolarHBondContact O-N 3.22Å; Y306-R322 VanDerWaalsContact CD1-CD 3.49Å; Y306-R322 PolarHBondContact OH-NE 3.06Å; Y306-L323 VanDerWaalsContact O-CB 3.27Å; Y306-L323 WeakPolarHBondContact O-CB 3.13Å; Y306-L323 WeakPolarHBondContact O-CD2 3.33Å
307	C	98.1	Very high	95.6	Very high	1 Å²	1	28 Å²	28	1%	0.007	16%	0.158	C	C	.	.	S	Bend	trans	-168.8	94.1	171.5	-165.2	0	0	0	0	110.2	L216 I252 P304 L323 W325	L216-C307 HydrophobicContact CD1-CB 3.97Å; L216-C307 HydrophobicContact CD2-CB 3.3Å; L216-C307 HydrophobicContact CG-CB 4.22Å; I252-C307 HydrophobicContact CD1-CB 3.77Å; P304-C307 CarbonylContact O-C 3.59Å; P304-C307 PolarHBondContact O-N 2.77Å; C307-L323 WeakPolarHBondContact CA-O 3.49Å; C307-W325 PolarHBondContact SG-NE1 3.26Å
308	W	97.5	Very high	95.6	Very high	1 Å²	1	24.6 Å²	24.6	0%	0.004	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-108.8	138.2	-174.6	-169.7	-108.4	0	0	0	112.8	A219 Y222 P304 I312 R315 I318 Y321 L323 L324 W325	A219-W308 HydrophobicContact CB-CE3 3.67Å; A219-W308 HydrophobicContact CB-CZ3 3.78Å; Y222-W308 HydrophobicContact CE1-CH2 4.05Å; Y222-W308 AromaticContact CE1-CZ3 3.81Å; Y222-W308 HydrophobicContact CE1-CZ3 3.81Å; P304-W308 HydrophobicContact CB-CE3 3.71Å; P304-W308 HydrophobicContact CB-CZ3 3.75Å; P304-W308 PolarHBondContact O-N 2.76Å; W308-I312 HydrophobicContact CE3-CD1 4.43Å; W308-I312 HydrophobicContact CH2-CB 4.1Å; W308-I312 HydrophobicContact CH2-CD1 3.81Å; W308-I312 HydrophobicContact CH2-CG2 3.65Å; W308-I312 HydrophobicContact CZ2-CB 3.62Å; W308-I312 HydrophobicContact CZ2-CD1 3.99Å; W308-I312 HydrophobicContact CZ2-CG1 4.42Å; W308-I312 HydrophobicContact CZ2-CG2 3.51Å; W308-I312 HydrophobicContact CZ3-CD1 4.06Å; W308-R315 HydrophobicContact CH2-CB 4.3Å; W308-R315 HydrophobicContact CH2-CG 3.56Å; W308-R315 HydrophobicContact CZ2-CB 4.26Å; W308-R315 HydrophobicContact CZ2-CG 3.63Å; W308-I318 HydrophobicContact CD2-CG1 4.44Å; W308-I318 HydrophobicContact CD2-CG2 4.41Å; W308-I318 HydrophobicContact CE3-CD1 3.88Å; W308-I318 HydrophobicContact CE3-CG1 4.04Å; W308-I318 HydrophobicContact CH2-CD1 4.31Å; W308-I318 HydrophobicContact CH2-CG1 3.89Å; W308-I318 HydrophobicContact CZ2-CG1 4.26Å; W308-I318 HydrophobicContact CZ3-CD1 3.68Å; W308-I318 HydrophobicContact CZ3-CG1 3.76Å; W308-Y321 HydrophobicContact CB-CD1 3.82Å; W308-Y321 HydrophobicContact CB-CE1 4.26Å; W308-Y321 AromaticContact CD1-CD1 3.57Å; W308-Y321 AromaticContact CD1-CE1 3.19Å; W308-Y321 AromaticContact CD1-CZ 3.94Å; W308-Y321 HydrophobicContact CD2-CE1 4.2Å; W308-Y321 AromaticContact CG-CD1 3.71Å; W308-Y321 HydrophobicContact CG-CD1 3.71Å; W308-Y321 AromaticContact CG-CE1 3.63Å; W308-Y321 HydrophobicContact CG-CE1 3.63Å; W308-Y321 AromaticContact NE1-CE1 3.53Å; W308-L323 PolarHBondContact N-O 2.94Å; W308-L324 HydrophobicContact CB-CD2 3.91Å; W308-L324 HydrophobicContact CG-CD2 4.5Å; W308-L324 WeakPolarHBondContact O-CA 3.3Å; W308-W325 PolarHBondContact O-N 3.34Å
309	D	94.9	Very high	95.6	Very high	16 Å²	16	29.7 Å²	29.7	9%	0.086	17%	0.167	C	C	.	.			trans	-97.2	114.2	168	179.3	4.1	0	0	0	109.5	H220 S311 I312 W325	H220-D309 IonicContact CD2-OD2 3.89Å; H220-D309 IonicContact CE1-OD2 3.91Å; H220-D309 PolarHBondContact CE1-OD2 3.01Å; H220-D309 IonicContact NE2-OD2 3.82Å; H220-D309 PolarHBondContact NE2-OD2 3.25Å; D309-S311 PolarHBondContact O-N 3.44Å; D309-S311 VanDerWaalsContact O-N 3.11Å; D309-S311 VanDerWaalsContact OD1-CB 3.24Å; D309-S311 WeakPolarHBondContact OD1-CB 3.27Å; D309-S311 PolarHBondContact OD1-N 3.26Å; D309-S311 PolarHBondContact OD1-OG 2.85Å; D309-S311 PolarHBondContact OD2-OG 3.09Å; D309-I312 HydrophobicContact CB-CD1 3.99Å; D309-I312 HydrophobicContact CB-CG1 4.19Å; D309-I312 WeakPolarHBondContact O-CB 3.41Å; D309-I312 WeakPolarHBondContact O-CG1 3.46Å; D309-I312 PolarHBondContact O-N 3.39Å; D309-W325 HydrophobicContact CB-CD2 3.73Å; D309-W325 HydrophobicContact CB-CE3 3.89Å; D309-W325 HydrophobicContact CB-CG 4.02Å; D309-W325 HydrophobicContact CB-CZ3 4.4Å
310	T	92.2	Very high	95.6	Very high	87 Å²	87	30.3 Å²	30.3	53%	0.534	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-61.9	-19.9	179.7	58.7	0	0	0	0	113.1	I312 G313 L324	T310-I312 PolarHBondContact O-N 2.87Å; T310-G313 PolarHBondContact O-N 2.81Å; T310-L324 HydrophobicContact CG2-CD1 4.13Å; T310-L324 HydrophobicContact CG2-CD2 3.9Å
311	S	90.1	Very high	95.6	Very high	56 Å²	56	34 Å²	34	39%	0.392	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-65.7	-18.8	175.4	89.7	0	0	0	0	113.7	R31 D309 G313	R31-S311 PolarHBondContact NH1-O 3.42Å; D309-S311 PolarHBondContact O-N 3.44Å; D309-S311 VanDerWaalsContact O-N 3.11Å; D309-S311 VanDerWaalsContact OD1-CB 3.24Å; D309-S311 WeakPolarHBondContact OD1-CB 3.27Å; D309-S311 PolarHBondContact OD1-N 3.26Å; D309-S311 PolarHBondContact OD1-OG 2.85Å; D309-S311 PolarHBondContact OD2-OG 3.09Å; S311-G313 PolarHBondContact O-N 3.04Å
312	I	91.3	Very high	95.6	Very high	13 Å²	13	34.1 Å²	34.1	7%	0.067	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-69.1	-27.3	174.1	-60.6	168.2	0	0	0	110.6	A219 H220 W308 D309 T310	A219-I312 HydrophobicContact CB-CD1 3.58Å; H220-I312 VanDerWaalsContact CE1-CG1 3.46Å; H220-I312 WeakPolarHBondContact CE1-CG1 3.5Å; W308-I312 HydrophobicContact CE3-CD1 4.43Å; W308-I312 HydrophobicContact CH2-CB 4.1Å; W308-I312 HydrophobicContact CH2-CD1 3.81Å; W308-I312 HydrophobicContact CH2-CG2 3.65Å; W308-I312 HydrophobicContact CZ2-CB 3.62Å; W308-I312 HydrophobicContact CZ2-CD1 3.99Å; W308-I312 HydrophobicContact CZ2-CG1 4.42Å; W308-I312 HydrophobicContact CZ2-CG2 3.51Å; W308-I312 HydrophobicContact CZ3-CD1 4.06Å; D309-I312 HydrophobicContact CB-CD1 3.99Å; D309-I312 HydrophobicContact CB-CG1 4.19Å; D309-I312 WeakPolarHBondContact O-CB 3.41Å; D309-I312 WeakPolarHBondContact O-CG1 3.46Å; D309-I312 PolarHBondContact O-N 3.39Å; T310-I312 PolarHBondContact O-N 2.87Å
313	G	89.8	Confident	95.6	Very high	32 Å²	32	34.1 Å²	34.1	33%	0.33	19%	0.185	S	C	.	.			trans	83.8	-165.5	-174.7	0	0	0	0	0	113	T310 S311	T310-G313 PolarHBondContact O-N 2.81Å; S311-G313 PolarHBondContact O-N 3.04Å
314	Y	89.7	Confident	95.5	Very high	161 Å²	161	35.7 Å²	35.7	63%	0.631	19%	0.193	S	C	*	.			trans	-72.7	141.9	-177.4	175.6	-100.8	0	0	0	112.4
315	R	93	Very high	95.3	Very high	15 Å²	15	37.4 Å²	37.4	6%	0.057	20%	0.199	C	C	.	.			trans	-139.8	126.7	176.8	-74.5	-61.6	-167.4	-144.5	-3.2	108.5	R31 F32 G35 W308 D317 I318	R31-R315 PolarHBondContact O-NH1 2.96Å; R31-R315 PolarHBondContact O-NH2 2.72Å; F32-R315 PolarHBondContact O-NH1 3.45Å; G35-R315 VanDerWaalsContact CA-CZ 3.44Å; G35-R315 VanDerWaalsContact N-CZ 3.3Å; W308-R315 HydrophobicContact CH2-CB 4.3Å; W308-R315 HydrophobicContact CH2-CG 3.56Å; W308-R315 HydrophobicContact CZ2-CB 4.26Å; W308-R315 HydrophobicContact CZ2-CG 3.63Å; R315-D317 VanDerWaalsContact C-N 3.25Å; R315-D317 WeakPolarHBondContact CB-OD1 3.23Å; R315-D317 PolarHBondContact O-N 3.05Å; R315-I318 HydrophobicContact CB-CB 4.1Å; R315-I318 HydrophobicContact CB-CG1 3.59Å; R315-I318 HydrophobicContact CG-CG1 4.3Å; R315-I318 PolarHBondContact O-N 3.49Å
316	S	92.8	Very high	94.8	Very high	88 Å²	88	37.7 Å²	37.7	62%	0.615	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-26.2	-175.8	50.8	0	0	0	0	113.5	I318	S316-I318 VanDerWaalsContact C-N 3.35Å
317	D	95.4	Very high	94	Very high	8 Å²	8	43.3 Å²	43.3	4%	0.043	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-13.4	177.5	56.9	-57.5	0	0	0	113.5	R65 D67 V68 W80 Y222 H223 R315 Q319	R65-D317 PolarHBondContact NH2-O 3.27Å; D67-D317 WeakPolarHBondContact OD2-CA 3.46Å; V68-D317 HydrophobicContact CG1-CB 3.61Å; W80-D317 WeakPolarHBondContact CZ3-O 3.35Å; Y222-D317 WeakPolarHBondContact CE2-OD2 3.27Å; Y222-D317 VanDerWaalsContact CZ-OD2 3.26Å; Y222-D317 PolarHBondContact OH-OD2 2.64Å; H223-D317 IonicContact NE2-OD1 3.72Å; H223-D317 IonicContact NE2-OD2 2.73Å; H223-D317 PolarHBondContact NE2-OD2 2.91Å; R315-D317 VanDerWaalsContact C-N 3.25Å; R315-D317 WeakPolarHBondContact CB-OD1 3.23Å; R315-D317 PolarHBondContact O-N 3.05Å; D317-Q319 PolarHBondContact O-N 2.94Å
318	I	97.6	Very high	93	Very high	8 Å²	8	46.1 Å²	46.1	4%	0.041	25%	0.251	C	S	.	.			trans	-94.1	95.1	172.9	-54.1	-67.3	0	0	0	108	W80 P304 E305 W308 R315 S316 Y321	W80-I318 HydrophobicContact CH2-CD1 4.47Å; W80-I318 HydrophobicContact CZ3-CD1 3.96Å; P304-I318 HydrophobicContact CB-CD1 3.86Å; P304-I318 HydrophobicContact CG-CD1 4.39Å; E305-I318 HydrophobicContact CG-CD1 4.22Å; E305-I318 HydrophobicContact CG-CG2 3.98Å; W308-I318 HydrophobicContact CD2-CG1 4.44Å; W308-I318 HydrophobicContact CD2-CG2 4.41Å; W308-I318 HydrophobicContact CE3-CD1 3.88Å; W308-I318 HydrophobicContact CE3-CG1 4.04Å; W308-I318 HydrophobicContact CH2-CD1 4.31Å; W308-I318 HydrophobicContact CH2-CG1 3.89Å; W308-I318 HydrophobicContact CZ2-CG1 4.26Å; W308-I318 HydrophobicContact CZ3-CD1 3.68Å; W308-I318 HydrophobicContact CZ3-CG1 3.76Å; R315-I318 HydrophobicContact CB-CB 4.1Å; R315-I318 HydrophobicContact CB-CG1 3.59Å; R315-I318 HydrophobicContact CG-CG1 4.3Å; R315-I318 PolarHBondContact O-N 3.49Å; S316-I318 VanDerWaalsContact C-N 3.35Å; I318-Y321 HydrophobicContact CB-CE1 4.34Å; I318-Y321 HydrophobicContact CG2-CD1 3.65Å; I318-Y321 HydrophobicContact CG2-CE1 3.35Å
319	Q	97.5	Very high	91.9	Very high	107 Å²	107	49.2 Å²	49.2	50%	0.5	27%	0.267	S	S	.	.			trans	-82.5	-26.6	-173.2	-63.5	-173.6	-0.7	0	0	112.7	R65 E81 E305 D317	R65-Q319 VanDerWaalsContact CZ-NE2 3.34Å; E81-Q319 HydrophobicContact CB-CB 4.25Å; E81-Q319 HydrophobicContact CG-CB 4.29Å; E305-Q319 PolarHBondContact OE1-N 3.2Å; E305-Q319 VanDerWaalsContact OE1-N 3.11Å; D317-Q319 PolarHBondContact O-N 2.94Å
320	V	98	Very high	90.6	Very high	41 Å²	41	53.1 Å²	53.1	25%	0.248	28%	0.281	C	S	.	.			trans	-143.5	144.8	-179.8	65.9	0	0	0	0	110.1	E81 E305 R322	E81-V320 HydrophobicContact CB-CG1 3.69Å; E81-V320 HydrophobicContact CG-CB 4.39Å; E81-V320 HydrophobicContact CG-CG1 3.86Å; E305-V320 HydrophobicContact CB-CG1 4.27Å; E305-V320 VanDerWaalsContact CB-O 3.24Å; E305-V320 WeakPolarHBondContact CB-O 3.46Å; E305-V320 HydrophobicContact CG-CG1 4.45Å; E305-V320 WeakPolarHBondContact CG-O 3.48Å; V320-R322 HydrophobicContact CG1-CG 4.04Å
321	Y	97.8	Very high	89.3	Confident	79 Å²	79	58.1 Å²	58.1	31%	0.31	29%	0.292	S	S	.	.			trans	-98	111.3	165.8	-54.3	-51.7	0	0	0	107.9	T202 G203 W308 I318 L324	T202-Y321 PolarHBondContact OG1-O 3.47Å; G203-Y321 PolarHBondContact N-O 2.89Å; W308-Y321 HydrophobicContact CB-CD1 3.82Å; W308-Y321 HydrophobicContact CB-CE1 4.26Å; W308-Y321 AromaticContact CD1-CD1 3.57Å; W308-Y321 AromaticContact CD1-CE1 3.19Å; W308-Y321 AromaticContact CD1-CZ 3.94Å; W308-Y321 HydrophobicContact CD2-CE1 4.2Å; W308-Y321 AromaticContact CG-CD1 3.71Å; W308-Y321 HydrophobicContact CG-CD1 3.71Å; W308-Y321 AromaticContact CG-CE1 3.63Å; W308-Y321 HydrophobicContact CG-CE1 3.63Å; W308-Y321 AromaticContact NE1-CE1 3.53Å; I318-Y321 HydrophobicContact CB-CE1 4.34Å; I318-Y321 HydrophobicContact CG2-CD1 3.65Å; I318-Y321 HydrophobicContact CG2-CE1 3.35Å; Y321-L324 HydrophobicContact CD1-CD2 4.1Å; Y321-L324 HydrophobicContact CD2-CD2 4.35Å; Y321-L324 HydrophobicContact CG-CD2 3.78Å
322	R	98.5	Very high	88.3	Confident	3 Å²	3	58.4 Å²	58.4	1%	0.011	29%	0.289	C	S	.	.	S	Bend	trans	-88.2	-34.4	175.4	-54.9	175.8	-175.9	-71.2	-4.6	110.8	E81 F201 T202 G203 R204 E305 Y306 V320	E81-R322 IonicContact OE2-CZ 3.52Å; E81-R322 IonicContact OE2-NH1 3.23Å; E81-R322 IonicContact OE2-NH2 3.68Å; E81-R322 PolarHBondContact OE2-NH2 2.96Å; F201-R322 WeakPolarHBondContact CA-O 3.42Å; T202-R322 PolarHBondContact N-O 2.82Å; G203-R322 PolarHBondContact N-O 2.93Å; R204-R322 WeakPolarHBondContact O-CD 3.27Å; R204-R322 WeakPolarHBondContact O-CG 3.39Å; R204-R322 PolarHBondContact O-NH1 2.59Å; E305-R322 WeakPolarHBondContact O-CB 3.47Å; E305-R322 PolarHBondContact O-N 2.65Å; Y306-R322 VanDerWaalsContact CD1-CD 3.49Å; Y306-R322 PolarHBondContact OH-NE 3.06Å; V320-R322 HydrophobicContact CG1-CG 4.04Å
323	L	98.1	Very high	87.2	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	133	-179.9	-167.4	73.3	0	0	0	109.7	F195 Q199 V200 F201 I252 Y306 C307 W308	F195-L323 HydrophobicContact CD1-CD2 4.08Å; F195-L323 HydrophobicContact CE1-CD2 3.95Å; Q199-L323 HydrophobicContact CB-CD1 4.13Å; Q199-L323 HydrophobicContact CB-CD2 4.25Å; Q199-L323 HydrophobicContact CB-CG 4.09Å; V200-L323 VanDerWaalsContact C-CD1 3.48Å; V200-L323 WeakPolarHBondContact O-CA 3.21Å; F201-L323 HydrophobicContact CB-CD1 4.09Å; F201-L323 HydrophobicContact CD1-CD1 3.59Å; F201-L323 HydrophobicContact CD2-CD1 3.47Å; F201-L323 VanDerWaalsContact CD2-CD1 3.47Å; F201-L323 HydrophobicContact CE1-CD1 3.78Å; F201-L323 HydrophobicContact CE2-CD1 3.67Å; F201-L323 HydrophobicContact CG-CD1 3.42Å; F201-L323 VanDerWaalsContact CG-CD1 3.42Å; F201-L323 HydrophobicContact CZ-CD1 3.82Å; I252-L323 HydrophobicContact CD1-CD2 3.32Å; I252-L323 HydrophobicContact CG1-CD2 4.26Å; Y306-L323 VanDerWaalsContact O-CB 3.27Å; Y306-L323 WeakPolarHBondContact O-CB 3.13Å; Y306-L323 WeakPolarHBondContact O-CD2 3.33Å; C307-L323 WeakPolarHBondContact CA-O 3.49Å; W308-L323 PolarHBondContact N-O 2.94Å
324	L	97.5	Very high	86.1	Confident	34 Å²	34	64.8 Å²	64.8	18%	0.178	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	148.4	180	-66.4	-178.6	0	0	0	110.9	Q199 V200 T202 W308 T310 Y321 A326	Q199-L324 CarbonylContact C-O 3.49Å; Q199-L324 VanDerWaalsContact CA-O 3.22Å; Q199-L324 WeakPolarHBondContact CA-O 3.38Å; V200-L324 PolarHBondContact N-O 3.12Å; V200-L324 PolarHBondContact O-N 2.98Å; T202-L324 HydrophobicContact CG2-CD1 3.89Å; T202-L324 HydrophobicContact CG2-CG 4.16Å; W308-L324 HydrophobicContact CB-CD2 3.91Å; W308-L324 HydrophobicContact CG-CD2 4.5Å; W308-L324 WeakPolarHBondContact O-CA 3.3Å; T310-L324 HydrophobicContact CG2-CD1 4.13Å; T310-L324 HydrophobicContact CG2-CD2 3.9Å; Y321-L324 HydrophobicContact CD1-CD2 4.1Å; Y321-L324 HydrophobicContact CD2-CD2 4.35Å; Y321-L324 HydrophobicContact CG-CD2 3.78Å; L324-A326 PolarHBondContact O-N 3Å
325	W	93.9	Very high	84.5	Confident	35 Å²	35	60.6 Å²	60.6	13%	0.133	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	129.5	166.6	-71.8	24.8	0	0	0	109.5	H249 C307 W308 D309	H249-W325 AromaticContact CE1-CE2 3.84Å; H249-W325 AromaticContact CE1-CZ2 3.53Å; H249-W325 AromaticContact CE1-NE1 3.71Å; H249-W325 AromaticContact NE2-CZ2 3.41Å; H249-W325 WeakPolarHBondContact NE2-CZ2 3.45Å; C307-W325 PolarHBondContact SG-NE1 3.26Å; W308-W325 PolarHBondContact O-N 3.34Å; D309-W325 HydrophobicContact CB-CD2 3.73Å; D309-W325 HydrophobicContact CB-CE3 3.89Å; D309-W325 HydrophobicContact CB-CG 4.02Å; D309-W325 HydrophobicContact CB-CZ3 4.4Å
326	A	88.6	Confident	82.5	Confident	7 Å²	7	66.5 Å²	66.5	6%	0.058	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-67.4	153.8	169.3	0	0	0	0	0	109.9	Y114 D198 V200 L324 K328	Y114-A326 HydrophobicContact CD1-CB 3.8Å; Y114-A326 HydrophobicContact CE1-CB 3.72Å; D198-A326 VanDerWaalsContact C-CB 3.49Å; D198-A326 VanDerWaalsContact O-CB 3.31Å; D198-A326 WeakPolarHBondContact O-CB 3.2Å; D198-A326 PolarHBondContact O-N 2.71Å; V200-A326 HydrophobicContact CG2-CB 4.31Å; L324-A326 PolarHBondContact O-N 3Å; A326-K328 WeakPolarHBondContact O-CD 3.43Å; A326-K328 PolarHBondContact O-N 3.31Å; A326-K328 VanDerWaalsContact O-N 3.1Å
327	P	82	Confident	82	Confident	118 Å²	118	65.5 Å²	65.5	77%	0.766	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-52.6	119.1	173.7	-25.6	34.8	0	0	0	110.8	Y114 D329	Y114-P327 PolarHBondContact OH-O 3.41Å; P327-D329 PolarHBondContact O-N 3.14Å
328	K	77.1	Confident	81.3	Confident	60 Å²	60	68.5 Å²	68.5	26%	0.261	34%	0.339	S	S	.	.			trans	-82.6	111	-174.2	-55.2	-61.8	-174.6	-175.6	0	110.5	D198 A326 Y330	D198-K328 PolarHBondContact O-NZ 3.02Å; D198-K328 IonicContact OD1-NZ 3.5Å; D198-K328 PolarHBondContact OD1-NZ 2.83Å; D198-K328 IonicContact OD2-NZ 3.57Å; D198-K328 PolarHBondContact OD2-NZ 3.28Å; A326-K328 WeakPolarHBondContact O-CD 3.43Å; A326-K328 PolarHBondContact O-N 3.31Å; A326-K328 VanDerWaalsContact O-N 3.1Å; K328-Y330 HydrophobicContact CB-CD2 4.11Å; K328-Y330 HydrophobicContact CB-CE1 4.17Å; K328-Y330 HydrophobicContact CB-CE2 3.67Å; K328-Y330 HydrophobicContact CD-CE1 4.3Å; K328-Y330 HydrophobicContact CG-CE1 4.46Å; K328-Y330 HydrophobicContact CG-CE2 4.12Å
329	D	74.4	Confident	80.4	Confident	66 Å²	66	71.8 Å²	71.8	35%	0.353	36%	0.356	S	S	.	.			trans	-104.2	68.3	170.4	-170.2	-6.1	0	0	0	111.5	Y114 P327 Y331 N332 L333	Y114-D329 PolarHBondContact OH-N 3.07Å; P327-D329 PolarHBondContact O-N 3.14Å; D329-Y331 VanDerWaalsContact C-N 3.27Å; D329-Y331 PolarHBondContact O-N 3.24Å; D329-N332 VanDerWaalsContact CG-ND2 3.32Å; D329-N332 WeakPolarHBondContact OD1-CB 3.48Å; D329-N332 PolarHBondContact OD1-N 3.27Å; D329-N332 PolarHBondContact OD1-ND2 3.42Å; D329-N332 VanDerWaalsContact OD1-ND2 3.12Å; D329-N332 WeakPolarHBondContact OD2-CB 3.31Å; D329-N332 PolarHBondContact OD2-ND2 2.92Å; D329-L333 HydrophobicContact CB-CD1 4.02Å; D329-L333 HydrophobicContact CB-CG 4.19Å; D329-L333 VanDerWaalsContact O-CB 3.24Å; D329-L333 WeakPolarHBondContact O-CB 3.39Å; D329-L333 WeakPolarHBondContact O-CD1 3.37Å; D329-L333 WeakPolarHBondContact O-CG 3.43Å; D329-L333 PolarHBondContact O-N 3.27Å
330	Y	67.9	Low	79.4	Confident	97 Å²	97	69.8 Å²	69.8	38%	0.38	35%	0.348	S	S	.	.	H	α-helix	trans	-63.3	-32.1	-177.1	-63.3	-52.1	0	0	0	113.5	K328 R334	K328-Y330 HydrophobicContact CB-CD2 4.11Å; K328-Y330 HydrophobicContact CB-CE1 4.17Å; K328-Y330 HydrophobicContact CB-CE2 3.67Å; K328-Y330 HydrophobicContact CD-CE1 4.3Å; K328-Y330 HydrophobicContact CG-CE1 4.46Å; K328-Y330 HydrophobicContact CG-CE2 4.12Å; Y330-R334 VanDerWaalsContact CD1-NE 3.33Å; Y330-R334 VanDerWaalsContact CE1-CZ 3.49Å; Y330-R334 WeakPolarHBondContact O-CB 3.47Å; Y330-R334 PolarHBondContact O-N 3.06Å
331	Y	63.5	Low	78.2	Confident	193 Å²	193	71.6 Å²	71.6	76%	0.757	35%	0.354	S	S	*	.	H	α-helix	trans	-66.7	-43.2	-176.2	-176.6	-97.5	0	0	0	111.2	D329 T335	D329-Y331 VanDerWaalsContact C-N 3.27Å; D329-Y331 PolarHBondContact O-N 3.24Å; Y331-T335 WeakPolarHBondContact O-CG2 3.41Å
332	N	69	Low	76.9	Confident	61 Å²	61	71.1 Å²	71.1	33%	0.326	36%	0.357	S	S	.	.	H	α-helix	trans	-84.3	-35.6	-180	-66	-48.3	0	0	0	112.2	R109 D329 T335	R109-N332 VanDerWaalsContact CD-O 3.3Å; R109-N332 WeakPolarHBondContact CD-O 3.5Å; R109-N332 PolarHBondContact NE-O 2.85Å; R109-N332 PolarHBondContact NH1-O 2.67Å; D329-N332 VanDerWaalsContact CG-ND2 3.32Å; D329-N332 WeakPolarHBondContact OD1-CB 3.48Å; D329-N332 PolarHBondContact OD1-N 3.27Å; D329-N332 PolarHBondContact OD1-ND2 3.42Å; D329-N332 VanDerWaalsContact OD1-ND2 3.12Å; D329-N332 WeakPolarHBondContact OD2-CB 3.31Å; D329-N332 PolarHBondContact OD2-ND2 2.92Å; N332-T335 PolarHBondContact O-OG1 3.46Å; N332-T335 VanDerWaalsContact O-OG1 3.06Å
333	L	68.9	Low	75.4	Confident	17 Å²	17	75.9 Å²	75.9	9%	0.089	38%	0.381	C	S	.	.	H	α-helix	trans	-86.6	-18.9	-168.1	-58.4	175.6	0	0	0	114.3	R109 Y110 A113 Y114 D329	R109-L333 HydrophobicContact CB-CD2 3.65Å; Y110-L333 HydrophobicContact CD2-CB 4.22Å; Y110-L333 HydrophobicContact CE2-CB 3.81Å; Y110-L333 WeakPolarHBondContact CE2-O 3.36Å; A113-L333 HydrophobicContact CB-CD1 4.01Å; A113-L333 HydrophobicContact CB-CD2 3.83Å; Y114-L333 HydrophobicContact CD2-CD1 4.44Å; Y114-L333 HydrophobicContact CE2-CD1 3.33Å; Y114-L333 VanDerWaalsContact CZ-CD1 3.43Å; Y114-L333 WeakPolarHBondContact OH-CD1 3.49Å; D329-L333 HydrophobicContact CB-CD1 4.02Å; D329-L333 HydrophobicContact CB-CG 4.19Å; D329-L333 VanDerWaalsContact O-CB 3.24Å; D329-L333 WeakPolarHBondContact O-CB 3.39Å; D329-L333 WeakPolarHBondContact O-CD1 3.37Å; D329-L333 WeakPolarHBondContact O-CG 3.43Å; D329-L333 PolarHBondContact O-N 3.27Å
334	R	66.5	Low	73.6	Confident	162 Å²	162	81.8 Å²	81.8	61%	0.611	41%	0.411	S	S	*	.	S	Bend	trans	-100.5	-7.3	179.7	-63.2	-177.4	173	175.9	-3	114.2	Y110 Y330	Y110-R334 HydrophobicContact CE2-CG 4.27Å; Y110-R334 WeakPolarHBondContact OH-CG 3.36Å; Y110-R334 PolarHBondContact OH-NE 3.11Å; Y330-R334 VanDerWaalsContact CD1-NE 3.33Å; Y330-R334 VanDerWaalsContact CE1-CZ 3.49Å; Y330-R334 WeakPolarHBondContact O-CB 3.47Å; Y330-R334 PolarHBondContact O-N 3.06Å
335	T	57.4	Low	71.6	Confident	73 Å²	73	85.8 Å²	85.8	45%	0.448	43%	0.43	S	S	.	.			trans	-74.3	127.7	173.8	49.8	0	0	0	0	109.8	Y331 N332	Y331-T335 WeakPolarHBondContact O-CG2 3.41Å; N332-T335 PolarHBondContact O-OG1 3.46Å; N332-T335 VanDerWaalsContact O-OG1 3.06Å
336	S	50.4	Low	69.6	Low	140 Å²	140	90.4 Å²	90.4	98%	0.979	46%	0.457	S	S	*	.			trans	-50.2	0	-176.9	54.1	0	0	0	0	114.2	R162	R162-S336 PolarHBondContact NH2-OXT 2.74Å

Retrieved 336 of 336 residues in 129.9 ms (Link to these results)

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