A0A087XN67_POEFO Loading...

Beta-1,4-galactosyltransferase

Required for the biosynthesis of the tetrasaccharide linkage region of proteoglycans, especially for small proteoglycans in skin fibroblasts. Responsible for the synthesis of complex-type N-linked oligosaccharides in many glycoproteins as well as the carbohydrate moieties of glycolipids.

AlphaFold DB , UniProt , Accession A0A087XN67, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 321 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.4	Very low	39	Very low	238 Å²	238	175.7 Å²	175.7	100%	1.172	86%	0.857	S	S	*	*				0	114	0	-141.5	167.6	-168.7	0	0	107.9
2	M	37.9	Very low	38.7	Very low	182 Å²	182	178.8 Å²	178.8	90%	0.897	86%	0.855	S	S	*	*			trans	55.5	99	161.3	-67.1	-177.9	141.2	0	0	121.2
3	Y	35.2	Very low	38.3	Very low	240 Å²	240	180.7 Å²	180.7	94%	0.941	86%	0.858	S	S	*	*			trans	-62.2	131.4	143.2	-104.3	-102.3	0	0	0	109.6
4	S	38.1	Very low	37.8	Very low	112 Å²	112	181.1 Å²	181.1	78%	0.783	86%	0.855	S	S	*	*			trans	-111.7	107.9	169.1	-170.2	0	0	0	0	110.4
5	S	37	Very low	37.4	Very low	96 Å²	96	181.4 Å²	181.4	67%	0.671	86%	0.855	S	S	*	*			trans	-80.6	117.4	175.2	179.8	0	0	0	0	109.4
6	R	43	Very low	37.2	Very low	244 Å²	244	181.6 Å²	181.6	92%	0.921	86%	0.856	S	S	*	*			trans	-93.7	95.7	168.1	-76.4	-173.7	-179.7	-175.5	0.8	109.4
7	R	40.8	Very low	37.1	Very low	230 Å²	230	184.7 Å²	184.7	87%	0.868	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-76.8	132.8	166.6	-69.3	-177	-173.1	-179.6	2.2	109.8
8	K	41.6	Very low	37.1	Very low	193 Å²	193	187.2 Å²	187.2	84%	0.839	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-76.3	142.7	167.6	-66.4	178.2	178.8	179	0	109.4
9	P	40.2	Very low	37.1	Very low	122 Å²	122	187.4 Å²	187.4	79%	0.792	86%	0.857	S	S	*	*	P	Polyproline II helix	trans	-73.8	130.9	176	28.2	-30.7	0	0	0	111
10	V	41.1	Very low	37.1	Very low	118 Å²	118	186.8 Å²	186.8	72%	0.715	86%	0.86	S	S	*	*			trans	-79.8	113.8	168.7	174.8	0	0	0	0	107.2	Y12	V10-Y12 HydrophobicContact CG1-CD2 4.08Å; V10-Y12 HydrophobicContact CG1-CE2 4.07Å; V10-Y12 PolarHBondContact O-N 3.24Å
11	L	38.2	Very low	37.4	Very low	158 Å²	158	183.9 Å²	183.9	83%	0.827	86%	0.861	S	S	*	*			trans	-73.6	104.1	170.5	-81.5	168.3	0	0	0	108.6	F13	L11-F13 PolarHBondContact O-N 3.41Å
12	Y	34.8	Very low	37.9	Very low	212 Å²	212	175.5 Å²	175.5	83%	0.831	84%	0.836	S	S	*	*			trans	-74	111.4	166.2	-90.1	-94.7	0	0	0	108.8	V10 K14	V10-Y12 HydrophobicContact CG1-CD2 4.08Å; V10-Y12 HydrophobicContact CG1-CE2 4.07Å; V10-Y12 PolarHBondContact O-N 3.24Å; Y12-K14 PolarHBondContact O-N 3.25Å
13	F	34.3	Very low	38.8	Very low	204 Å²	204	176.3 Å²	176.3	90%	0.895	83%	0.834	S	S	*	*			trans	-71.4	109.3	162.6	-101	-90.3	0	0	0	108.3	L11 E15	L11-F13 PolarHBondContact O-N 3.41Å; F13-E15 PolarHBondContact O-N 3.42Å
14	K	30.4	Very low	39.6	Very low	187 Å²	187	169 Å²	169	81%	0.813	82%	0.817	S	S	*	*			trans	-79.2	109.5	172	-175	178.2	179.8	-177.8	0	107.5	Y12 E16	Y12-K14 PolarHBondContact O-N 3.25Å; K14-E16 PolarHBondContact O-N 3.1Å
15	E	32.3	Very low	41.4	Very low	185 Å²	185	167.2 Å²	167.2	86%	0.864	80%	0.802	S	S	*	*			trans	-68.3	110.1	176.2	-160.5	174.2	-163.4	0	0	109.3	F13 R17	F13-E15 PolarHBondContact O-N 3.42Å; E15-R17 PolarHBondContact O-N 2.78Å; E15-R17 VanDerWaalsContact O-N 3.11Å
16	E	33.3	Very low	43.1	Very low	185 Å²	185	169.6 Å²	169.6	86%	0.864	81%	0.805	S	S	*	*			trans	-73.5	99.1	176.1	-75.4	-162.2	152.8	0	0	110.5	K14 R18	K14-E16 PolarHBondContact O-N 3.1Å; E16-R18 PolarHBondContact O-N 2.88Å
17	R	36.3	Very low	44.2	Very low	234 Å²	234	167.2 Å²	167.2	88%	0.883	80%	0.798	S	S	*	*			trans	-73.9	116.5	153.1	-82	-175.8	-169.4	179.6	4	108.9	E15	E15-R17 PolarHBondContact O-N 2.78Å; E15-R17 VanDerWaalsContact O-N 3.11Å
18	R	37.1	Very low	45.6	Very low	230 Å²	230	162.8 Å²	162.8	87%	0.868	79%	0.785	S	S	*	*			trans	175.4	113.7	132.1	-97.6	164.9	-173.3	-164.7	2.7	110	E16	E16-R18 PolarHBondContact O-N 2.88Å
19	F	36.3	Very low	47.2	Very low	191 Å²	191	159.1 Å²	159.1	84%	0.838	77%	0.773	S	S	*	*				163.1	103.3	119.3	-109.3	-95.9	0	0	0	108
20	L	38.7	Very low	49.1	Very low	174 Å²	174	159.6 Å²	159.6	91%	0.911	76%	0.763	S	S	*	*			trans	-176.6	97.9	133.4	-94.2	158.3	0	0	0	107.5
21	S	42.2	Very low	51.1	Low	127 Å²	127	155.5 Å²	155.5	89%	0.888	75%	0.745	S	S	*	*			trans	-61.6	142.4	165.1	178.7	0	0	0	0	109.9
22	G	46.3	Very low	53.3	Low	62 Å²	62	153.2 Å²	153.2	64%	0.639	73%	0.733	S	S	*	*			trans	130.1	105.7	164.6	0	0	0	0	0	112.8	C24	G22-C24 VanDerWaalsContact C-N 3.33Å; G22-C24 PolarHBondContact O-N 3.07Å
23	K	58.7	Low	55.6	Low	199 Å²	199	146.6 Å²	146.6	87%	0.865	72%	0.717	S	S	*	*			trans	-56.5	89.5	173	-64.3	173.6	178.7	177.3	0	110.7
24	C	51.5	Low	58.3	Low	86 Å²	86	141.5 Å²	141.5	58%	0.581	70%	0.697	S	S	*	*			trans	-96.1	90.2	166.8	-155.4	0	0	0	0	107.3	G22	G22-C24 VanDerWaalsContact C-N 3.33Å; G22-C24 PolarHBondContact O-N 3.07Å
25	T	75.6	Confident	61.1	Low	75 Å²	75	136.5 Å²	136.5	46%	0.46	68%	0.682	S	S	.	*			trans	-68.7	145	175.4	39.6	0	0	0	0	109.4	Y27 K28 L29	T25-Y27 PolarHBondContact O-N 3.15Å; T25-K28 WeakPolarHBondContact O-CB 3.23Å; T25-K28 PolarHBondContact O-N 2.9Å; T25-L29 PolarHBondContact O-N 3.12Å
26	I	71.5	Confident	63.8	Low	145 Å²	145	132.6 Å²	132.6	74%	0.744	67%	0.666	S	S	*	*	H	α-helix	trans	-47.4	-33.5	179.6	-67.9	168	0	0	0	111.9	K28 L29 F30	I26-K28 PolarHBondContact O-N 2.63Å; I26-L29 PolarHBondContact O-N 3.27Å; I26-F30 WeakPolarHBondContact O-CB 3.22Å; I26-F30 PolarHBondContact O-N 3.14Å
27	Y	66.6	Low	66.5	Low	194 Å²	194	127.6 Å²	127.6	76%	0.761	65%	0.648	S	S	*	*	H	α-helix	trans	-61.5	-34.5	174.6	-62.9	-72.5	0	0	0	114.7	T25 G31	T25-Y27 PolarHBondContact O-N 3.15Å; Y27-G31 PolarHBondContact O-N 3.45Å
28	K	71.1	Confident	69	Low	138 Å²	138	121.8 Å²	121.8	60%	0.6	63%	0.634	S	S	*	*	H	α-helix	trans	-71.9	-38.2	174.6	-70.1	-171.2	174.6	-176	0	111.7	T25 I26 G31 L32	T25-K28 WeakPolarHBondContact O-CB 3.23Å; T25-K28 PolarHBondContact O-N 2.9Å; I26-K28 PolarHBondContact O-N 2.63Å; K28-G31 PolarHBondContact O-N 3.4Å; K28-L32 WeakPolarHBondContact O-CB 3.21Å; K28-L32 PolarHBondContact O-N 2.89Å
29	L	75.1	Confident	71.5	Confident	115 Å²	115	115.6 Å²	115.6	60%	0.602	62%	0.618	S	S	*	*	H	α-helix	trans	-67.6	-41.6	175.8	-141.7	84.5	0	0	0	111	T25 I26 L32 C33	T25-L29 PolarHBondContact O-N 3.12Å; I26-L29 PolarHBondContact O-N 3.27Å; L29-L32 PolarHBondContact O-N 3.01Å; L29-C33 PolarHBondContact O-N 2.77Å
30	F	79.2	Confident	73.8	Confident	132 Å²	132	110 Å²	110	58%	0.579	60%	0.602	S	S	*	*	H	α-helix	trans	-63.2	-45.6	174.7	-177.1	-98.4	0	0	0	111.8	I26 L32 C33 M34	I26-F30 WeakPolarHBondContact O-CB 3.22Å; I26-F30 PolarHBondContact O-N 3.14Å; F30-L32 VanDerWaalsContact C-N 3.33Å; F30-L32 PolarHBondContact O-N 3.47Å; F30-C33 PolarHBondContact O-N 2.85Å; F30-M34 HydrophobicContact CD1-CG 4.17Å; F30-M34 HydrophobicContact CE1-CG 3.76Å; F30-M34 HydrophobicContact CE1-SD 4.49Å; F30-M34 HydrophobicContact CE2-CG 4.34Å; F30-M34 HydrophobicContact CE2-SD 4.49Å; F30-M34 HydrophobicContact CZ-CG 3.85Å; F30-M34 HydrophobicContact CZ-SD 4.05Å; F30-M34 WeakPolarHBondContact O-CG 3.37Å; F30-M34 PolarHBondContact O-N 3.48Å
31	G	82.7	Confident	76	Confident	32 Å²	32	106.3 Å²	106.3	33%	0.33	58%	0.583	S	S	.	*	H	α-helix	trans	-58.4	-44.2	174.7	0	0	0	0	0	112.3	Y27 K28 M34 V35	Y27-G31 PolarHBondContact O-N 3.45Å; K28-G31 PolarHBondContact O-N 3.4Å; G31-M34 PolarHBondContact O-N 3.14Å; G31-V35 VanDerWaalsContact O-CG2 3.29Å; G31-V35 WeakPolarHBondContact O-CG2 3.19Å; G31-V35 PolarHBondContact O-N 2.71Å
32	L	85.4	Confident	77.8	Confident	111 Å²	111	105.4 Å²	105.4	58%	0.581	57%	0.567	S	S	*	*	H	α-helix	trans	-63.3	-43.2	177.6	-159	110.7	0	0	0	112	K28 L29 F30 V35 L36	K28-L32 WeakPolarHBondContact O-CB 3.21Å; K28-L32 PolarHBondContact O-N 2.89Å; L29-L32 PolarHBondContact O-N 3.01Å; F30-L32 VanDerWaalsContact C-N 3.33Å; F30-L32 PolarHBondContact O-N 3.47Å; L32-V35 PolarHBondContact O-N 2.61Å; L32-L36 HydrophobicContact CD2-CD1 4Å; L32-L36 WeakPolarHBondContact O-CG 3.46Å; L32-L36 PolarHBondContact O-N 3.06Å
33	C	83.5	Confident	79.2	Confident	73 Å²	73	111.1 Å²	111.1	49%	0.493	57%	0.57	S	S	.	*	H	α-helix	trans	-61.1	-44.5	174.5	-94	0	0	0	0	112.4	L29 F30 V35 L36 V37	L29-C33 PolarHBondContact O-N 2.77Å; F30-C33 PolarHBondContact O-N 2.85Å; C33-V35 VanDerWaalsContact C-N 3.34Å; C33-V35 PolarHBondContact O-N 3.19Å; C33-L36 PolarHBondContact O-N 3.03Å; C33-V37 WeakPolarHBondContact O-CG2 3.48Å; C33-V37 PolarHBondContact O-N 2.91Å
34	M	89.8	Confident	79.9	Confident	97 Å²	97	106.4 Å²	106.4	48%	0.478	55%	0.553	S	S	.	*	H	α-helix	trans	-64.5	-39.1	179.1	-69.9	-65.8	-82.1	0	0	111.8	F30 G31 V37 L38	F30-M34 HydrophobicContact CD1-CG 4.17Å; F30-M34 HydrophobicContact CE1-CG 3.76Å; F30-M34 HydrophobicContact CE1-SD 4.49Å; F30-M34 HydrophobicContact CE2-CG 4.34Å; F30-M34 HydrophobicContact CE2-SD 4.49Å; F30-M34 HydrophobicContact CZ-CG 3.85Å; F30-M34 HydrophobicContact CZ-SD 4.05Å; F30-M34 WeakPolarHBondContact O-CG 3.37Å; F30-M34 PolarHBondContact O-N 3.48Å; G31-M34 PolarHBondContact O-N 3.14Å; M34-V37 PolarHBondContact O-N 2.83Å; M34-L38 WeakPolarHBondContact O-CB 3.34Å; M34-L38 WeakPolarHBondContact O-CG 3.41Å; M34-L38 PolarHBondContact O-N 2.82Å
35	V	90.2	Very high	80.9	Confident	82 Å²	82	108.6 Å²	108.6	50%	0.497	56%	0.555	S	S	.	*	H	α-helix	trans	-64.1	-43.7	174.4	173.1	0	0	0	0	111.3	G31 L32 C33 V37 L38 I39	G31-V35 VanDerWaalsContact O-CG2 3.29Å; G31-V35 WeakPolarHBondContact O-CG2 3.19Å; G31-V35 PolarHBondContact O-N 2.71Å; L32-V35 PolarHBondContact O-N 2.61Å; C33-V35 VanDerWaalsContact C-N 3.34Å; C33-V35 PolarHBondContact O-N 3.19Å; V35-V37 VanDerWaalsContact C-N 3.34Å; V35-V37 PolarHBondContact O-N 3.19Å; V35-L38 PolarHBondContact O-N 3.44Å; V35-I39 HydrophobicContact CG1-CD1 3.7Å; V35-I39 HydrophobicContact CG1-CG1 4.33Å; V35-I39 VanDerWaalsContact O-CG1 3.28Å; V35-I39 WeakPolarHBondContact O-CG1 3.42Å; V35-I39 PolarHBondContact O-N 3.22Å
36	L	89.4	Confident	80.7	Confident	102 Å²	102	110.7 Å²	110.7	53%	0.534	56%	0.563	S	S	.	*	H	α-helix	trans	-63.1	-39.8	177.7	-72.8	168.7	0	0	0	112.3	L32 C33 I39 S40	L32-L36 HydrophobicContact CD2-CD1 4Å; L32-L36 WeakPolarHBondContact O-CG 3.46Å; L32-L36 PolarHBondContact O-N 3.06Å; C33-L36 PolarHBondContact O-N 3.03Å; L36-I39 PolarHBondContact O-N 2.94Å; L36-S40 WeakPolarHBondContact O-CB 3.36Å; L36-S40 PolarHBondContact O-N 2.9Å
37	V	90.2	Very high	80.6	Confident	80 Å²	80	107 Å²	107	49%	0.485	55%	0.55	S	S	.	*	H	α-helix	trans	-64.9	-43.8	174.9	171.6	0	0	0	0	110.9	C33 M34 V35 I39 S40 L41	C33-V37 WeakPolarHBondContact O-CG2 3.48Å; C33-V37 PolarHBondContact O-N 2.91Å; M34-V37 PolarHBondContact O-N 2.83Å; V35-V37 VanDerWaalsContact C-N 3.34Å; V35-V37 PolarHBondContact O-N 3.19Å; V37-I39 PolarHBondContact O-N 3.44Å; V37-S40 PolarHBondContact O-N 2.85Å; V37-L41 HydrophobicContact CG1-CD1 3.96Å; V37-L41 HydrophobicContact CG1-CG 4.43Å; V37-L41 WeakPolarHBondContact O-CG 3.29Å; V37-L41 PolarHBondContact O-N 3.1Å
38	L	88.3	Confident	79.9	Confident	112 Å²	112	102.9 Å²	102.9	59%	0.586	55%	0.548	S	S	*	.	H	α-helix	trans	-64.6	-39.9	177.7	-74.6	169.2	0	0	0	112.4	M34 V35 L41 L42	M34-L38 WeakPolarHBondContact O-CB 3.34Å; M34-L38 WeakPolarHBondContact O-CG 3.41Å; M34-L38 PolarHBondContact O-N 2.82Å; V35-L38 PolarHBondContact O-N 3.44Å; L38-L41 PolarHBondContact O-N 3.27Å; L38-L42 WeakPolarHBondContact O-CB 3.45Å; L38-L42 PolarHBondContact O-N 3.29Å
39	I	90	Very high	79.1	Confident	101 Å²	101	101 Å²	101	52%	0.518	55%	0.553	S	S	.	*	H	α-helix	trans	-64.4	-42.1	174.8	-68.7	168.3	0	0	0	110.5	V35 L36 V37 L42 W43	V35-I39 HydrophobicContact CG1-CD1 3.7Å; V35-I39 HydrophobicContact CG1-CG1 4.33Å; V35-I39 VanDerWaalsContact O-CG1 3.28Å; V35-I39 WeakPolarHBondContact O-CG1 3.42Å; V35-I39 PolarHBondContact O-N 3.22Å; L36-I39 PolarHBondContact O-N 2.94Å; V37-I39 PolarHBondContact O-N 3.44Å; I39-L42 PolarHBondContact O-N 2.93Å; I39-W43 WeakPolarHBondContact O-CB 3.39Å; I39-W43 PolarHBondContact O-N 2.95Å
40	S	83.2	Confident	78.1	Confident	72 Å²	72	98.2 Å²	98.2	50%	0.503	55%	0.551	S	S	.	*	H	α-helix	trans	-63.2	-43	177	-179.9	0	0	0	0	112.1	L36 V37 W43 L44	L36-S40 WeakPolarHBondContact O-CB 3.36Å; L36-S40 PolarHBondContact O-N 2.9Å; V37-S40 PolarHBondContact O-N 2.85Å; S40-W43 PolarHBondContact O-N 3.11Å; S40-L44 PolarHBondContact O-N 3.44Å
41	L	84.9	Confident	76.7	Confident	97 Å²	97	99 Å²	99	51%	0.508	56%	0.562	S	S	.	*	H	α-helix	trans	-66.6	-39.6	176.5	-70.7	171.4	0	0	0	112.1	V37 L38 L44 Q45	V37-L41 HydrophobicContact CG1-CD1 3.96Å; V37-L41 HydrophobicContact CG1-CG 4.43Å; V37-L41 WeakPolarHBondContact O-CG 3.29Å; V37-L41 PolarHBondContact O-N 3.1Å; L38-L41 PolarHBondContact O-N 3.27Å; L41-L44 PolarHBondContact O-N 3.29Å; L41-Q45 WeakPolarHBondContact O-CG 2.94Å; L41-Q45 PolarHBondContact O-N 3.45Å
42	L	80.8	Confident	74.8	Confident	108 Å²	108	105.6 Å²	105.6	57%	0.565	59%	0.586	S	S	*	*	H	α-helix	trans	-65.8	-39.9	175.7	-171.9	68.1	0	0	0	111.6	L38 I39 L44 Q45 L46	L38-L42 WeakPolarHBondContact O-CB 3.45Å; L38-L42 PolarHBondContact O-N 3.29Å; I39-L42 PolarHBondContact O-N 2.93Å; L42-L44 VanDerWaalsContact C-N 3.33Å; L42-L44 PolarHBondContact O-N 3Å; L42-Q45 PolarHBondContact O-N 3.13Å; L42-L46 HydrophobicContact CG-CD1 4.02Å; L42-L46 WeakPolarHBondContact O-CB 3.45Å; L42-L46 WeakPolarHBondContact O-CG 3.38Å; L42-L46 PolarHBondContact O-N 2.87Å
43	W	75.3	Confident	72.6	Confident	182 Å²	182	106 Å²	106	69%	0.689	60%	0.598	S	S	*	*	H	α-helix	trans	-64.6	-37.4	174.9	-166.4	64.5	0	0	0	112	I39 S40 S47	I39-W43 WeakPolarHBondContact O-CB 3.39Å; I39-W43 PolarHBondContact O-N 2.95Å; S40-W43 PolarHBondContact O-N 3.11Å; W43-S47 VanDerWaalsContact O-CB 3.27Å; W43-S47 WeakPolarHBondContact O-CB 3.46Å; W43-S47 PolarHBondContact O-N 2.69Å; W43-S47 PolarHBondContact O-OG 3.47Å
44	L	74.3	Confident	70.3	Confident	100 Å²	100	107.6 Å²	107.6	52%	0.524	61%	0.61	S	S	.	*	H	α-helix	trans	-65	-43.1	174.5	-150.1	80.3	0	0	0	111.6	S40 L41 L42 S47 C48	S40-L44 PolarHBondContact O-N 3.44Å; L41-L44 PolarHBondContact O-N 3.29Å; L42-L44 VanDerWaalsContact C-N 3.33Å; L42-L44 PolarHBondContact O-N 3Å; L44-S47 PolarHBondContact O-N 2.79Å; L44-C48 WeakPolarHBondContact O-CB 3.37Å; L44-C48 PolarHBondContact O-N 2.96Å; L44-C48 PolarHBondContact O-SG 3.39Å; L44-C48 VanDerWaalsContact O-SG 3.37Å
45	Q	71.9	Confident	67.8	Low	132 Å²	132	109.5 Å²	109.5	62%	0.617	63%	0.627	S	S	*	*	H	α-helix	trans	-65.7	-40.1	177.2	-71.6	-72.8	-51.9	0	0	112.8	L41 L42 S49	L41-Q45 WeakPolarHBondContact O-CG 2.94Å; L41-Q45 PolarHBondContact O-N 3.45Å; L42-Q45 PolarHBondContact O-N 3.13Å; Q45-S49 WeakPolarHBondContact O-CB 3.46Å; Q45-S49 PolarHBondContact O-N 3.3Å; Q45-S49 PolarHBondContact O-OG 3.1Å
46	L	71.1	Confident	65.3	Low	119 Å²	119	112.2 Å²	112.2	62%	0.623	64%	0.644	S	S	*	*	H	α-helix	trans	-70.4	-35.3	176.2	-72.9	164.6	0	0	0	112	L42	L42-L46 HydrophobicContact CG-CD1 4.02Å; L42-L46 WeakPolarHBondContact O-CB 3.45Å; L42-L46 WeakPolarHBondContact O-CG 3.38Å; L42-L46 PolarHBondContact O-N 2.87Å
47	S	70.2	Confident	62.5	Low	69 Å²	69	118 Å²	118	48%	0.483	66%	0.659	S	S	.	*	H	α-helix	trans	-73.2	-28	176.7	-57.3	0	0	0	0	112.8	W43 L44	W43-S47 VanDerWaalsContact O-CB 3.27Å; W43-S47 WeakPolarHBondContact O-CB 3.46Å; W43-S47 PolarHBondContact O-N 2.69Å; W43-S47 PolarHBondContact O-OG 3.47Å; L44-S47 PolarHBondContact O-N 2.79Å
48	C	52.3	Low	59.9	Low	106 Å²	106	122.1 Å²	122.1	72%	0.716	67%	0.672	S	S	*	*	H	α-helix	trans	-89	-7.5	177.5	-70.3	0	0	0	0	114.4	L44	L44-C48 WeakPolarHBondContact O-CB 3.37Å; L44-C48 PolarHBondContact O-N 2.96Å; L44-C48 PolarHBondContact O-SG 3.39Å; L44-C48 VanDerWaalsContact O-SG 3.37Å
49	S	53.8	Low	57.1	Low	99 Å²	99	123.6 Å²	123.6	69%	0.692	68%	0.681	S	S	*	*	S	Bend	trans	-101.4	1.5	178.1	-60.6	0	0	0	0	113.8	Q45	Q45-S49 WeakPolarHBondContact O-CB 3.46Å; Q45-S49 PolarHBondContact O-N 3.3Å; Q45-S49 PolarHBondContact O-OG 3.1Å
50	G	54.2	Low	54.9	Low	56 Å²	56	127.5 Å²	127.5	58%	0.577	70%	0.697	S	S	*	*	S	Bend	trans	-109.2	56.7	-178	0	0	0	0	0	113.7
51	D	48.8	Very low	52.8	Low	149 Å²	149	133.3 Å²	133.3	80%	0.797	72%	0.716	S	S	*	*			trans	-173.5	83.1	151.1	-108.6	-20.1	0	0	0	111
52	M	43.3	Very low	50.8	Low	171 Å²	171	135.6 Å²	135.6	84%	0.842	73%	0.729	S	S	*	*			trans	-151	42.9	170	-113	-106.6	72.3	0	0	111.3
53	S	38.8	Very low	49	Very low	120 Å²	120	136.4 Å²	136.4	84%	0.839	74%	0.74	S	S	*	*	S	Bend	trans	-153.1	54.2	177.8	-59	0	0	0	0	113.1
54	S	35.8	Very low	47.6	Very low	105 Å²	105	136.3 Å²	136.3	73%	0.734	75%	0.748	S	S	*	*			trans	-155.8	32.9	166	66.3	0	0	0	0	114.7
55	V	38	Very low	46.9	Very low	137 Å²	137	136.8 Å²	136.8	83%	0.83	76%	0.757	S	S	*	*			trans	-122.3	68.9	170	-170.3	0	0	0	0	110.2
56	T	36.2	Very low	46.2	Very low	140 Å²	140	135.9 Å²	135.9	86%	0.859	76%	0.762	S	S	*	*			trans	-164.4	93	152.3	9.4	0	0	0	0	111.2
57	R	32.2	Very low	45.3	Very low	223 Å²	223	135.6 Å²	135.6	84%	0.842	77%	0.768	S	S	*	*				158.3	127	129.5	-98	-178.6	168.2	170	-2.4	111.8
58	Q	34.1	Very low	44.9	Very low	166 Å²	166	137.7 Å²	137.7	78%	0.776	78%	0.779	S	S	*	*			trans	70.2	128.9	154.8	-67.8	175.1	-25.6	0	0	115.6
59	N	31.1	Very low	44.8	Very low	143 Å²	143	138 Å²	138	77%	0.765	78%	0.78	S	S	*	*			cis	-157.4	163.4	33.2	-96.1	-31.7	0	0	0	113
60	Q	43.7	Very low	44.1	Very low	183 Å²	183	138.7 Å²	138.7	86%	0.855	78%	0.783	S	S	*	*			trans	-46.9	127.8	170.4	-73.3	157.6	-61.2	0	0	114.8
61	H	38.3	Very low	43.6	Very low	194 Å²	194	141.7 Å²	141.7	90%	0.898	79%	0.793	S	S	*	*			trans	-153.1	139.2	148	-120.1	46.4	0	0	0	110.2
62	D	43.9	Very low	43.5	Very low	145 Å²	145	140.5 Å²	140.5	78%	0.775	79%	0.791	S	S	*	*			trans	-52.1	151.4	-177.7	-71	-50.5	0	0	0	113.3	Q64	D62-Q64 PolarHBondContact O-N 3.35Å
63	P	40.9	Very low	43.3	Very low	125 Å²	125	139.3 Å²	139.3	81%	0.812	78%	0.784	S	S	*	*			trans	-68.2	107.2	179.5	26.3	-30.9	0	0	0	110.6
64	Q	47.2	Very low	43.5	Very low	181 Å²	181	144.7 Å²	144.7	85%	0.846	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-63.1	138.2	162.6	-81.3	-170.8	-56.2	0	0	109.4	D62	D62-Q64 PolarHBondContact O-N 3.35Å
65	P	59.2	Low	43.9	Very low	110 Å²	110	147 Å²	147	71%	0.714	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-60.9	151.7	174.7	25.6	-31.6	0	0	0	110
66	P	58.2	Low	44.1	Very low	112 Å²	112	144.2 Å²	144.2	73%	0.727	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-55.1	145.3	-179.2	24	-33.3	0	0	0	110
67	P	52.1	Low	44.6	Very low	114 Å²	114	140 Å²	140	74%	0.74	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-54.7	139.8	174.4	24	-31.8	0	0	0	108.5
68	P	61.2	Low	45.7	Very low	112 Å²	112	132.2 Å²	132.2	73%	0.727	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-55.4	140.5	-179.8	23	-31.5	0	0	0	108.4	C70	P68-C70 PolarHBondContact O-N 2.91Å
69	P	50.9	Low	47	Very low	114 Å²	114	128.2 Å²	128.2	74%	0.74	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-51.8	133.5	172.2	21.4	-30.3	0	0	0	107.7
70	C	37.2	Very low	48.9	Very low	112 Å²	112	123.7 Å²	123.7	76%	0.757	71%	0.71	S	S	*	*			trans	-40	131.4	168.7	-81.2	0	0	0	0	107.6	P68 T72	P68-C70 PolarHBondContact O-N 2.91Å; C70-T72 VanDerWaalsContact C-N 3.34Å; C70-T72 PolarHBondContact O-N 3.49Å
71	P	45	Very low	50.7	Low	120 Å²	120	117.8 Å²	117.8	78%	0.779	68%	0.684	S	S	*	*			trans	-53.1	110.1	175.8	-18.7	28.5	0	0	0	105.9	E73	P71-E73 PolarHBondContact O-N 3.27Å
72	T	45.8	Very low	52.9	Low	124 Å²	124	113.1 Å²	113.1	76%	0.761	67%	0.672	S	S	*	*			trans	-69	86.8	159.5	-27.8	0	0	0	0	101.3	C70 R74	C70-T72 VanDerWaalsContact C-N 3.34Å; C70-T72 PolarHBondContact O-N 3.49Å; T72-R74 PolarHBondContact O-N 2.85Å
73	E	39.5	Very low	55.1	Low	146 Å²	146	110.7 Å²	110.7	68%	0.682	67%	0.666	S	S	*	*			trans	-55.3	91.2	150.7	-99.4	-173	-171.4	0	0	103.6	P71 Q75	P71-E73 PolarHBondContact O-N 3.27Å; E73-Q75 HydrophobicContact CB-CG 4.32Å; E73-Q75 PolarHBondContact O-N 2.9Å; E73-Q75 PolarHBondContact OE2-NE2 2.98Å
74	R	43.3	Very low	57.6	Low	233 Å²	233	108.4 Å²	108.4	88%	0.879	64%	0.641	S	S	*	*			trans	-55.7	75.5	142.5	-76.1	178	176.2	174.4	-1.2	104.5	T72 A76	T72-R74 PolarHBondContact O-N 2.85Å; R74-A76 PolarHBondContact O-N 3.37Å
75	Q	43.7	Very low	59.8	Low	152 Å²	152	101 Å²	101	71%	0.71	61%	0.613	S	S	*	*			trans	-59.6	94.2	146.2	-77	-178.7	8	0	0	102.4	E73 A77	E73-Q75 HydrophobicContact CB-CG 4.32Å; E73-Q75 PolarHBondContact O-N 2.9Å; E73-Q75 PolarHBondContact OE2-NE2 2.98Å; Q75-A77 PolarHBondContact O-N 2.8Å
76	A	42.2	Very low	61.5	Low	79 Å²	79	100.5 Å²	100.5	65%	0.653	61%	0.61	S	S	*	*			trans	-46.6	111.8	169.2	0	0	0	0	0	104.9	R74 A78	R74-A76 PolarHBondContact O-N 3.37Å; A76-A78 PolarHBondContact O-N 2.92Å
77	A	46.7	Very low	63.4	Low	53 Å²	53	98.7 Å²	98.7	44%	0.438	59%	0.592	S	S	.	*			trans	-43.4	115.6	177.1	0	0	0	0	0	106.4	Q75 A79	Q75-A77 PolarHBondContact O-N 2.8Å; A77-A79 VanDerWaalsContact C-N 3.32Å; A77-A79 WeakPolarHBondContact O-CA 3.27Å; A77-A79 PolarHBondContact O-N 3.1Å
78	A	55.6	Low	65.6	Low	59 Å²	59	94.4 Å²	94.4	49%	0.488	56%	0.561	S	S	.	*			trans	-38.7	95.4	-160.7	0	0	0	0	0	111.1	A76	A76-A78 PolarHBondContact O-N 2.92Å
79	A	60.6	Low	67.4	Low	82 Å²	82	89 Å²	89	68%	0.678	53%	0.527	S	S	*	.			trans	-71.3	138.7	-175.2	0	0	0	0	0	107.3	A77 D81	A77-A79 VanDerWaalsContact C-N 3.32Å; A77-A79 WeakPolarHBondContact O-CA 3.27Å; A77-A79 PolarHBondContact O-N 3.1Å; A79-D81 PolarHBondContact O-N 3.24Å; A79-D81 VanDerWaalsContact O-N 3.1Å
80	D	70.8	Confident	69.7	Low	47 Å²	47	83.6 Å²	83.6	25%	0.251	49%	0.491	S	S	.	.			trans	-39.9	118.6	177.9	-69.6	-49.2	0	0	0	111.3	P82 K88 R119 H120	D80-P82 WeakPolarHBondContact O-CD 3.11Å; D80-K88 WeakPolarHBondContact OD2-CE 3.26Å; D80-K88 IonicContact OD2-NZ 3.14Å; D80-K88 PolarHBondContact OD2-NZ 3.39Å; D80-R119 HydrophobicContact CB-CB 4.44Å; D80-R119 HydrophobicContact CB-CG 4.44Å; D80-H120 PolarHBondContact OD1-N 2.98Å; D80-H120 VanDerWaalsContact OD1-N 3.11Å
81	D	82.9	Confident	72.6	Confident	59 Å²	59	78.3 Å²	78.3	32%	0.316	46%	0.455	S	S	.	.			trans	-77.2	113.1	175.4	-178.2	-17.7	0	0	0	109	A79 S83 W84	A79-D81 PolarHBondContact O-N 3.24Å; A79-D81 VanDerWaalsContact O-N 3.1Å; D81-S83 PolarHBondContact O-N 3.34Å; D81-S83 VanDerWaalsContact O-N 3.07Å; D81-S83 VanDerWaalsContact OD1-CB 3.23Å; D81-S83 WeakPolarHBondContact OD1-CB 3.48Å; D81-S83 PolarHBondContact OD1-N 2.8Å; D81-S83 PolarHBondContact OD1-OG 3.32Å; D81-S83 PolarHBondContact OD2-OG 3.49Å; D81-S83 VanDerWaalsContact OD2-OG 3.12Å; D81-W84 HydrophobicContact CB-CD2 3.76Å; D81-W84 HydrophobicContact CB-CE3 4.35Å; D81-W84 HydrophobicContact CB-CG 3.95Å; D81-W84 HydrophobicContact CB-CZ2 3.98Å; D81-W84 WeakPolarHBondContact O-CB 3.23Å; D81-W84 PolarHBondContact O-N 3.14Å; D81-W84 VanDerWaalsContact O-N 3.15Å; D81-W84 PolarHBondContact OD2-NE1 2.82Å
82	P	83.3	Confident	75.2	Confident	97 Å²	97	72.6 Å²	72.6	63%	0.63	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-62.2	-17.8	-177.6	-21.9	35.1	0	0	0	113.7	D80 W84	D80-P82 WeakPolarHBondContact O-CD 3.11Å; P82-W84 VanDerWaalsContact C-N 3.26Å; P82-W84 PolarHBondContact O-N 2.87Å
83	S	91.3	Very high	77.7	Confident	93 Å²	93	66.7 Å²	66.7	65%	0.65	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-73.9	-13.8	178.8	74.1	0	0	0	0	113.9	D81 G85	D81-S83 PolarHBondContact O-N 3.34Å; D81-S83 VanDerWaalsContact O-N 3.07Å; D81-S83 VanDerWaalsContact OD1-CB 3.23Å; D81-S83 WeakPolarHBondContact OD1-CB 3.48Å; D81-S83 PolarHBondContact OD1-N 2.8Å; D81-S83 PolarHBondContact OD1-OG 3.32Å; D81-S83 PolarHBondContact OD2-OG 3.49Å; D81-S83 VanDerWaalsContact OD2-OG 3.12Å; S83-G85 PolarHBondContact O-N 2.78Å
84	W	93.9	Very high	80.6	Confident	77 Å²	77	60.1 Å²	60.1	29%	0.292	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-79	1.5	-175.8	-69.7	7.3	0	0	0	114.3	D81 P82 N114 K117 R119	D81-W84 HydrophobicContact CB-CD2 3.76Å; D81-W84 HydrophobicContact CB-CE3 4.35Å; D81-W84 HydrophobicContact CB-CG 3.95Å; D81-W84 HydrophobicContact CB-CZ2 3.98Å; D81-W84 WeakPolarHBondContact O-CB 3.23Å; D81-W84 PolarHBondContact O-N 3.14Å; D81-W84 VanDerWaalsContact O-N 3.15Å; D81-W84 PolarHBondContact OD2-NE1 2.82Å; P82-W84 VanDerWaalsContact C-N 3.26Å; P82-W84 PolarHBondContact O-N 2.87Å; W84-N114 HydrophobicContact CH2-CB 4.18Å; W84-N114 HydrophobicContact CZ3-CB 4.28Å; W84-N114 WeakPolarHBondContact CZ3-OD1 3.41Å; W84-K117 HydrophobicContact CB-CB 3.95Å; W84-K117 WeakPolarHBondContact CB-O 3.48Å; W84-K117 HydrophobicContact CD2-CB 3.76Å; W84-K117 HydrophobicContact CD2-CG 4.1Å; W84-K117 HydrophobicContact CE3-CB 4.2Å; W84-K117 HydrophobicContact CG-CB 3.63Å; W84-K117 HydrophobicContact CG-CD 4.46Å; W84-K117 HydrophobicContact CG-CG 4.14Å; W84-R119 HydrophobicContact CB-CG 4.09Å
85	G	93.1	Very high	83.2	Confident	26 Å²	26	49.8 Å²	49.8	27%	0.268	31%	0.314	S	S	.	.			trans	123.1	169.1	176.7	0	0	0	0	0	112.6	S83 R119	S83-G85 PolarHBondContact O-N 2.78Å; G85-R119 WeakPolarHBondContact O-CD 3.35Å; G85-R119 PolarHBondContact O-NH1 2.87Å; G85-R119 VanDerWaalsContact O-NH1 3.1Å
86	P	95.2	Very high	85.8	Confident	99 Å²	99	44.9 Å²	44.9	64%	0.643	29%	0.289	S	S	*	.	S	Bend	trans	-76.6	-26.4	-173.6	30.7	-34.4	0	0	0	112.3
87	H	97.9	Very high	88.5	Confident	74 Å²	74	48.1 Å²	48.1	34%	0.343	29%	0.29	S	S	.	.			trans	-89.2	134.9	-169.3	-58.7	-55.2	0	0	0	112.9	D151 Y152 F171	H87-D151 VanDerWaalsContact CA-OD2 3.22Å; H87-D151 WeakPolarHBondContact CA-OD2 3.46Å; H87-Y152 HydrophobicContact CB-CD1 4.43Å; H87-Y152 HydrophobicContact CB-CE1 4.17Å; H87-F171 HydrophobicContact CB-CB 3.91Å; H87-F171 HydrophobicContact CB-CD2 3.98Å; H87-F171 HydrophobicContact CB-CG 4.15Å; H87-F171 WeakPolarHBondContact CD2-CB 3.48Å; H87-F171 AromaticContact CD2-CD1 3.81Å; H87-F171 AromaticContact CD2-CG 3.48Å; H87-F171 VanDerWaalsContact CD2-CG 3.48Å; H87-F171 WeakPolarHBondContact CD2-CG 3.44Å; H87-F171 AromaticContact CE1-CD1 3.87Å; H87-F171 AromaticContact CE1-CE1 3.95Å; H87-F171 AromaticContact CE1-CG 3.96Å; H87-F171 AromaticContact CG-CD2 3.63Å; H87-F171 AromaticContact CG-CG 3.56Å; H87-F171 AromaticContact ND1-CD2 3.7Å; H87-F171 AromaticContact ND1-CE2 3.91Å; H87-F171 AromaticContact ND1-CG 3.88Å; H87-F171 AromaticContact NE2-CD1 3.59Å; H87-F171 AromaticContact NE2-CG 3.75Å
88	K	98.2	Very high	91	Very high	24 Å²	24	48.6 Å²	48.6	10%	0.104	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	129.1	175.8	-171.4	177.6	176	174.5	0	111.7	D80 R119 D149 T150 D151 Y152	D80-K88 WeakPolarHBondContact OD2-CE 3.26Å; D80-K88 IonicContact OD2-NZ 3.14Å; D80-K88 PolarHBondContact OD2-NZ 3.39Å; K88-R119 WeakPolarHBondContact CA-O 3.49Å; K88-R119 HydrophobicContact CB-CB 4.25Å; K88-R119 HydrophobicContact CG-CB 4.1Å; K88-D149 WeakPolarHBondContact CB-O 3.41Å; K88-D149 WeakPolarHBondContact CD-O 3.26Å; K88-D149 WeakPolarHBondContact CE-OD2 3.47Å; K88-D149 IonicContact NZ-OD2 2.75Å; K88-D149 PolarHBondContact NZ-OD2 3.46Å; K88-T150 HydrophobicContact CD-CG2 4.22Å; K88-T150 HydrophobicContact CG-CG2 4.14Å; K88-T150 WeakPolarHBondContact O-CA 3.31Å; K88-D151 PolarHBondContact N-OD2 3.28Å; K88-D151 PolarHBondContact O-N 2.91Å; K88-Y152 WeakPolarHBondContact O-CD1 3.45Å
89	L	98.8	Very high	93	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	131.5	-179.4	174.8	57.8	0	0	0	112	L113 I118 R119 H120 K121 Y152 A154	L89-L113 HydrophobicContact CD2-CD1 4.06Å; L89-L113 HydrophobicContact CD2-CD2 4.14Å; L89-I118 HydrophobicContact CB-CG2 4.04Å; L89-I118 HydrophobicContact CD2-CG2 4.18Å; L89-R119 PolarHBondContact N-O 2.82Å; L89-H120 HydrophobicContact CB-CB 3.99Å; L89-H120 HydrophobicContact CD2-CB 4.48Å; L89-H120 HydrophobicContact CG-CB 4.45Å; L89-H120 CarbonylContact O-C 3.51Å; L89-H120 VanDerWaalsContact O-CA 3.23Å; L89-H120 WeakPolarHBondContact O-CA 3.33Å; L89-K121 PolarHBondContact O-N 3.08Å; L89-Y152 HydrophobicContact CB-CD1 4.33Å; L89-Y152 HydrophobicContact CB-CE1 3.64Å; L89-Y152 HydrophobicContact CB-CE2 4.17Å; L89-Y152 HydrophobicContact CD1-CD2 3.75Å; L89-Y152 HydrophobicContact CD1-CE1 4.36Å; L89-Y152 HydrophobicContact CD1-CE2 3.55Å; L89-Y152 HydrophobicContact CD1-CG 4.27Å; L89-Y152 HydrophobicContact CG-CE2 4.28Å; L89-A154 HydrophobicContact CD1-CB 3.72Å; L89-A154 HydrophobicContact CD2-CB 4.41Å
90	A	98.8	Very high	94.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	104.5	158.1	0	0	0	0	0	109.6	V92 T150 Y152 L153 A154	A90-V92 HydrophobicContact CB-CG2 4.27Å; A90-V92 PolarHBondContact O-N 3.41Å; A90-T150 HydrophobicContact CB-CG2 4.05Å; A90-Y152 PolarHBondContact N-O 3.15Å; A90-L153 HydrophobicContact CB-CB 4.3Å; A90-L153 CarbonylContact O-C 3.52Å; A90-L153 VanDerWaalsContact O-CA 3.22Å; A90-L153 WeakPolarHBondContact O-CA 3.17Å; A90-A154 PolarHBondContact O-N 3.11Å
91	L	98.9	Very high	96.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	98.2	173.2	-173	69.5	0	0	0	108.3	V93 F105 M109 L113 K121 I122 L123 A154 H156	L91-V93 HydrophobicContact CG-CG2 4.43Å; L91-F105 HydrophobicContact CD2-CE1 3.94Å; L91-F105 HydrophobicContact CD2-CZ 3.99Å; L91-M109 HydrophobicContact CD1-CE 4.41Å; L91-M109 HydrophobicContact CD2-CB 3.91Å; L91-M109 HydrophobicContact CD2-CE 4.24Å; L91-M109 HydrophobicContact CD2-CG 4.23Å; L91-L113 HydrophobicContact CD2-CD1 4.21Å; L91-K121 PolarHBondContact N-O 3.47Å; L91-I122 HydrophobicContact CD2-CD1 4.34Å; L91-I122 HydrophobicContact CD2-CG1 4.02Å; L91-I122 HydrophobicContact CD2-CG2 4.32Å; L91-L123 PolarHBondContact O-N 3.34Å; L91-A154 HydrophobicContact CD1-CB 3.73Å; L91-H156 HydrophobicContact CD1-CB 3.76Å; L91-H156 HydrophobicContact CG-CB 4.48Å
92	V	98.9	Very high	96.9	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	116.3	-173.9	-179.3	0	0	0	0	109.8	A90 I125 I139 L153 A154 H156	A90-V92 HydrophobicContact CB-CG2 4.27Å; A90-V92 PolarHBondContact O-N 3.41Å; V92-I125 HydrophobicContact CG1-CG1 3.86Å; V92-I139 HydrophobicContact CB-CD1 4.36Å; V92-I139 HydrophobicContact CG1-CD1 3.76Å; V92-L153 HydrophobicContact CG2-CB 4.39Å; V92-A154 PolarHBondContact N-O 3.34Å; V92-H156 PolarHBondContact O-N 3.44Å
93	V	98.9	Very high	97.6	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	104.8	-174.9	-172.9	0	0	0	0	109.4	L91 F95 F105 L123 I124 I125 V158	L91-V93 HydrophobicContact CG-CG2 4.43Å; V93-F95 PolarHBondContact O-N 3.48Å; V93-F105 HydrophobicContact CG1-CE1 4.49Å; V93-F105 HydrophobicContact CG2-CD1 4.41Å; V93-F105 HydrophobicContact CG2-CE1 3.47Å; V93-F105 VanDerWaalsContact CG2-CE1 3.47Å; V93-F105 HydrophobicContact CG2-CZ 3.72Å; V93-L123 PolarHBondContact N-O 2.95Å; V93-I124 HydrophobicContact CB-CD1 3.74Å; V93-I124 HydrophobicContact CG1-CD1 4.16Å; V93-I124 HydrophobicContact CG2-CD1 3.85Å; V93-I125 PolarHBondContact O-N 3Å; V93-V158 HydrophobicContact CG1-CB 3.63Å; V93-V158 HydrophobicContact CG1-CG2 3.97Å
94	P	98.9	Very high	97.9	Very high	8 Å²	8	45.9 Å²	45.9	5%	0.052	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	127.4	174.5	30.5	-30.9	0	0	0	108.8	F133 R135 L138 I139 H156	P94-F133 HydrophobicContact CB-CZ 3.93Å; P94-R135 HydrophobicContact CB-CG 4.11Å; P94-R135 HydrophobicContact CG-CG 3.77Å; P94-L138 HydrophobicContact CB-CB 3.87Å; P94-L138 HydrophobicContact CB-CD1 3.94Å; P94-I139 HydrophobicContact CB-CD1 4.26Å; P94-I139 HydrophobicContact CG-CD1 3.89Å; P94-H156 WeakPolarHBondContact CD-O 3.38Å
95	F	98.9	Very high	98.2	Very high	17 Å²	17	42.2 Å²	42.2	8%	0.075	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	138.6	-164.1	-171.5	-93.5	0	0	0	113.5	V93 R98 L102 I124 I125 N126 Q127 V158	V93-F95 PolarHBondContact O-N 3.48Å; F95-R98 HydrophobicContact CD2-CB 4.13Å; F95-R98 HydrophobicContact CE2-CB 3.56Å; F95-R98 VanDerWaalsContact CE2-O 3.3Å; F95-R98 WeakPolarHBondContact CE2-O 3.38Å; F95-R98 HydrophobicContact CZ-CB 4.17Å; F95-L102 HydrophobicContact CD2-CD1 4.45Å; F95-L102 HydrophobicContact CE2-CB 3.78Å; F95-L102 HydrophobicContact CE2-CD1 4.24Å; F95-L102 HydrophobicContact CE2-CD2 4.01Å; F95-L102 HydrophobicContact CE2-CG 4.24Å; F95-L102 HydrophobicContact CZ-CB 4.21Å; F95-L102 HydrophobicContact CZ-CD2 3.94Å; F95-I124 HydrophobicContact CB-CG2 3.55Å; F95-I124 HydrophobicContact CD1-CG2 3.93Å; F95-I124 HydrophobicContact CD2-CG2 3.97Å; F95-I124 HydrophobicContact CG-CG2 3.53Å; F95-I125 PolarHBondContact N-O 3.36Å; F95-N126 HydrophobicContact CD1-CB 4.16Å; F95-N126 WeakPolarHBondContact CD1-OD1 3.22Å; F95-N126 WeakPolarHBondContact O-CA 3.26Å; F95-Q127 PolarHBondContact O-N 2.64Å; F95-V158 HydrophobicContact CD2-CG2 4.33Å; F95-V158 HydrophobicContact CE2-CG2 4.43Å
96	R	98.7	Very high	98.4	Very high	48 Å²	48	41 Å²	41	18%	0.181	20%	0.2	C	C	.	.	S	Bend	trans	-162.7	125.5	162.3	179.4	-179	-72.3	165.8	-9.7	108.5	R98 Q127 D129 Y131 F133	R96-R98 VanDerWaalsContact C-N 3.35Å; R96-R98 PolarHBondContact O-N 3.11Å; R96-Q127 PolarHBondContact NE-O 2.78Å; R96-Q127 PolarHBondContact NH2-O 2.79Å; R96-D129 PolarHBondContact NH2-O 3.42Å; R96-D129 IonicContact NH2-OD1 3.18Å; R96-D129 PolarHBondContact NH2-OD1 3.18Å; R96-Y131 PolarHBondContact NH1-O 2.74Å; R96-Y131 PolarHBondContact NH2-O 2.59Å; R96-F133 HydrophobicContact CB-CD2 3.78Å; R96-F133 HydrophobicContact CB-CE2 3.88Å
97	E	98.1	Very high	98.6	Very high	148 Å²	148	37.8 Å²	37.8	69%	0.692	18%	0.18	S	C	*	.	S	Bend	trans	49.5	50	171.8	-61.5	-179.7	157.1	0	0	113.9	R258	E97-R258 PolarHBondContact O-NH1 3.4Å; E97-R258 VanDerWaalsContact O-NH1 3.16Å
98	R	98.4	Very high	98.7	Very high	62 Å²	62	37.3 Å²	37.3	23%	0.234	18%	0.177	C	C	.	.			trans	-129.3	41.4	174.8	-66.6	-67.4	-178.3	-78.9	-3.4	111	F95 R96 E100 E101 L102 V158	F95-R98 HydrophobicContact CD2-CB 4.13Å; F95-R98 HydrophobicContact CE2-CB 3.56Å; F95-R98 VanDerWaalsContact CE2-O 3.3Å; F95-R98 WeakPolarHBondContact CE2-O 3.38Å; F95-R98 HydrophobicContact CZ-CB 4.17Å; R96-R98 VanDerWaalsContact C-N 3.35Å; R96-R98 PolarHBondContact O-N 3.11Å; R98-E100 VanDerWaalsContact C-N 3.33Å; R98-E100 PolarHBondContact O-N 2.85Å; R98-E101 WeakPolarHBondContact CA-OE2 3.32Å; R98-E101 HydrophobicContact CB-CB 4.37Å; R98-E101 WeakPolarHBondContact CB-OE2 3.5Å; R98-E101 PolarHBondContact O-N 2.99Å; R98-L102 WeakPolarHBondContact O-CB 3.3Å; R98-L102 PolarHBondContact O-N 3.1Å; R98-V158 HydrophobicContact CB-CG1 3.72Å; R98-V158 HydrophobicContact CG-CG1 3.97Å
99	F	97.9	Very high	98.7	Very high	119 Å²	119	36.1 Å²	36.1	52%	0.522	17%	0.172	S	C	.	.	H	α-helix	trans	-63.1	-40.7	-169.4	-176.9	-108	0	0	0	111.9	E101 L102 L103	F99-E101 PolarHBondContact O-N 2.7Å; F99-L102 WeakPolarHBondContact O-CB 3.42Å; F99-L102 PolarHBondContact O-N 3.12Å; F99-L103 HydrophobicContact CD1-CD1 4.03Å; F99-L103 HydrophobicContact CD1-CG 4.31Å; F99-L103 HydrophobicContact CE1-CD1 3.59Å; F99-L103 HydrophobicContact CE1-CD2 4.23Å; F99-L103 HydrophobicContact CE1-CG 3.97Å; F99-L103 HydrophobicContact CE2-CD2 4.26Å; F99-L103 HydrophobicContact CE2-CG 4.46Å; F99-L103 HydrophobicContact CZ-CD1 4.08Å; F99-L103 HydrophobicContact CZ-CD2 3.84Å; F99-L103 HydrophobicContact CZ-CG 4.05Å; F99-L103 WeakPolarHBondContact O-CG 3.38Å; F99-L103 PolarHBondContact O-N 3.26Å
100	E	98.3	Very high	98.7	Very high	104 Å²	104	37.1 Å²	37.1	49%	0.486	18%	0.176	S	C	.	.	H	α-helix	trans	-61.5	-43.6	176.9	-60.8	89.7	157.8	0	0	111.8	R98 R258	R98-E100 VanDerWaalsContact C-N 3.33Å; R98-E100 PolarHBondContact O-N 2.85Å; E100-R258 IonicContact OE2-CZ 2.86Å; E100-R258 IonicContact OE2-NH2 3.88Å; E100-R258 PolarHBondContact OE2-NH2 3.03Å
101	E	98.8	Very high	98.6	Very high	9 Å²	9	44.8 Å²	44.8	4%	0.042	21%	0.21	C	C	.	.	H	α-helix	trans	-65.9	-40.2	174.8	-61.3	86.3	164.9	0	0	110.9	R98 F99 L103 V104 F105 V158 D159 I252 R258	R98-E101 WeakPolarHBondContact CA-OE2 3.32Å; R98-E101 HydrophobicContact CB-CB 4.37Å; R98-E101 WeakPolarHBondContact CB-OE2 3.5Å; R98-E101 PolarHBondContact O-N 2.99Å; F99-E101 PolarHBondContact O-N 2.7Å; E101-L103 VanDerWaalsContact C-N 3.34Å; E101-L103 PolarHBondContact O-N 3Å; E101-V104 PolarHBondContact O-N 3.33Å; E101-V104 VanDerWaalsContact O-N 3.15Å; E101-F105 WeakPolarHBondContact O-CB 3.4Å; E101-F105 PolarHBondContact O-N 2.97Å; E101-V158 HydrophobicContact CB-CG1 4.24Å; E101-V158 HydrophobicContact CB-CG2 4.33Å; E101-D159 HydrophobicContact CG-CB 4.16Å; E101-I252 HydrophobicContact CG-CB 4.37Å; E101-I252 HydrophobicContact CG-CG2 4.14Å; E101-R258 VanDerWaalsContact CD-NH2 3.35Å; E101-R258 IonicContact OE1-CZ 3.88Å; E101-R258 IonicContact OE1-NE 3.33Å; E101-R258 PolarHBondContact OE1-NE 2.93Å; E101-R258 IonicContact OE1-NH2 2.87Å; E101-R258 PolarHBondContact OE1-NH2 3.43Å; E101-R258 IonicContact OE2-CZ 3.75Å; E101-R258 IonicContact OE2-NE 2.73Å; E101-R258 IonicContact OE2-NH2 3.74Å; E101-R258 PolarHBondContact OE2-NH2 3.14Å
102	L	98.7	Very high	98.6	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.016	21%	0.213	C	C	.	.	H	α-helix	trans	-60.6	-41.8	178.8	-171.9	67.1	0	0	0	112.7	F95 R98 F99 V104 F105 V106 I124 V158 I296	F95-L102 HydrophobicContact CD2-CD1 4.45Å; F95-L102 HydrophobicContact CE2-CB 3.78Å; F95-L102 HydrophobicContact CE2-CD1 4.24Å; F95-L102 HydrophobicContact CE2-CD2 4.01Å; F95-L102 HydrophobicContact CE2-CG 4.24Å; F95-L102 HydrophobicContact CZ-CB 4.21Å; F95-L102 HydrophobicContact CZ-CD2 3.94Å; R98-L102 WeakPolarHBondContact O-CB 3.3Å; R98-L102 PolarHBondContact O-N 3.1Å; F99-L102 WeakPolarHBondContact O-CB 3.42Å; F99-L102 PolarHBondContact O-N 3.12Å; L102-V104 PolarHBondContact O-N 3.37Å; L102-F105 PolarHBondContact O-N 2.71Å; L102-V106 HydrophobicContact CD1-CG2 3.59Å; L102-V106 HydrophobicContact CG-CG2 4.08Å; L102-V106 PolarHBondContact O-N 3.18Å; L102-V106 VanDerWaalsContact O-N 3.08Å; L102-I124 HydrophobicContact CD1-CD1 3.47Å; L102-I124 VanDerWaalsContact CD1-CD1 3.47Å; L102-I124 HydrophobicContact CD1-CG1 3.85Å; L102-I124 HydrophobicContact CD1-CG2 4.23Å; L102-I124 HydrophobicContact CD2-CG2 4.42Å; L102-V158 HydrophobicContact CB-CG2 4.34Å; L102-V158 HydrophobicContact CD1-CG2 4.1Å; L102-I296 HydrophobicContact CD2-CD1 4.29Å; L102-I296 HydrophobicContact CG-CD1 4.08Å
103	L	98.6	Very high	98.6	Very high	77 Å²	77	45.6 Å²	45.6	40%	0.403	21%	0.213	S	C	.	.	H	α-helix	trans	-60.1	-30.5	177.9	-72.9	-179.2	0	0	0	112.5	F99 E101 P107 I296	F99-L103 HydrophobicContact CD1-CD1 4.03Å; F99-L103 HydrophobicContact CD1-CG 4.31Å; F99-L103 HydrophobicContact CE1-CD1 3.59Å; F99-L103 HydrophobicContact CE1-CD2 4.23Å; F99-L103 HydrophobicContact CE1-CG 3.97Å; F99-L103 HydrophobicContact CE2-CD2 4.26Å; F99-L103 HydrophobicContact CE2-CG 4.46Å; F99-L103 HydrophobicContact CZ-CD1 4.08Å; F99-L103 HydrophobicContact CZ-CD2 3.84Å; F99-L103 HydrophobicContact CZ-CG 4.05Å; F99-L103 WeakPolarHBondContact O-CG 3.38Å; F99-L103 PolarHBondContact O-N 3.26Å; E101-L103 VanDerWaalsContact C-N 3.34Å; E101-L103 PolarHBondContact O-N 3Å; L103-P107 WeakPolarHBondContact O-CD 3.38Å; L103-P107 VanDerWaalsContact O-CG 3.24Å; L103-P107 WeakPolarHBondContact O-CG 3.49Å; L103-I296 HydrophobicContact CD2-CD1 4.48Å; L103-I296 HydrophobicContact CD2-CG2 3.9Å
104	V	98.8	Very high	98.5	Very high	68 Å²	68	47.6 Å²	47.6	41%	0.412	22%	0.224	S	C	.	.	H	α-helix	trans	-84.8	-44.4	174	-176.2	0	0	0	0	110.6	E101 L102 F108 L161 I252	E101-V104 PolarHBondContact O-N 3.33Å; E101-V104 VanDerWaalsContact O-N 3.15Å; L102-V104 PolarHBondContact O-N 3.37Å; V104-F108 WeakPolarHBondContact O-CB 3.36Å; V104-F108 PolarHBondContact O-N 3.42Å; V104-L161 HydrophobicContact CG1-CD1 3.76Å; V104-I252 HydrophobicContact CB-CD1 4.32Å; V104-I252 HydrophobicContact CG1-CD1 4Å
105	F	98.9	Very high	98.4	Very high	1 Å²	1	53.6 Å²	53.6	0%	0.004	25%	0.249	C	C	.	.	H	α-helix	trans	-60	-53	-171.8	-179.9	-90.3	0	0	0	113.4	L91 V93 E101 L102 F108 M109 H156 V158 L161	L91-F105 HydrophobicContact CD2-CE1 3.94Å; L91-F105 HydrophobicContact CD2-CZ 3.99Å; V93-F105 HydrophobicContact CG1-CE1 4.49Å; V93-F105 HydrophobicContact CG2-CD1 4.41Å; V93-F105 HydrophobicContact CG2-CE1 3.47Å; V93-F105 VanDerWaalsContact CG2-CE1 3.47Å; V93-F105 HydrophobicContact CG2-CZ 3.72Å; E101-F105 WeakPolarHBondContact O-CB 3.4Å; E101-F105 PolarHBondContact O-N 2.97Å; L102-F105 PolarHBondContact O-N 2.71Å; F105-F108 PolarHBondContact O-N 2.94Å; F105-M109 HydrophobicContact CD1-CG 4.17Å; F105-M109 HydrophobicContact CD2-CG 3.93Å; F105-M109 HydrophobicContact CE1-CB 4.3Å; F105-M109 HydrophobicContact CE1-CG 3.81Å; F105-M109 HydrophobicContact CE2-CG 3.59Å; F105-M109 HydrophobicContact CE2-SD 4.4Å; F105-M109 HydrophobicContact CG-CG 4.22Å; F105-M109 HydrophobicContact CZ-CB 4.42Å; F105-M109 HydrophobicContact CZ-CG 3.53Å; F105-M109 WeakPolarHBondContact O-CB 3.13Å; F105-M109 WeakPolarHBondContact O-CG 3.29Å; F105-M109 PolarHBondContact O-N 2.88Å; F105-H156 AromaticContact CE2-CE1 3.45Å; F105-H156 VanDerWaalsContact CE2-CE1 3.45Å; F105-H156 WeakPolarHBondContact CE2-CE1 3.39Å; F105-H156 AromaticContact CE2-ND1 3.31Å; F105-H156 VanDerWaalsContact CE2-ND1 3.31Å; F105-H156 WeakPolarHBondContact CE2-ND1 3.47Å; F105-H156 HydrophobicContact CZ-CB 4.46Å; F105-H156 AromaticContact CZ-CE1 3.93Å; F105-H156 AromaticContact CZ-CG 3.99Å; F105-H156 AromaticContact CZ-ND1 3.57Å; F105-V158 HydrophobicContact CB-CG2 3.89Å; F105-V158 HydrophobicContact CD1-CG2 4.34Å; F105-V158 HydrophobicContact CD2-CG2 4.26Å; F105-V158 WeakPolarHBondContact CD2-O 3.43Å; F105-V158 HydrophobicContact CG-CG2 3.91Å; F105-L161 HydrophobicContact CB-CD2 4.36Å; F105-L161 HydrophobicContact CD2-CD2 3.6Å; F105-L161 HydrophobicContact CE2-CD2 4.35Å; F105-L161 HydrophobicContact CG-CD2 4.38Å
106	V	98.8	Very high	98.3	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.4	-54.5	-172.1	172.7	0	0	0	0	112.1	L102 F108 H110 I122 I124 I296 A299 C301	L102-V106 HydrophobicContact CD1-CG2 3.59Å; L102-V106 HydrophobicContact CG-CG2 4.08Å; L102-V106 PolarHBondContact O-N 3.18Å; L102-V106 VanDerWaalsContact O-N 3.08Å; V106-F108 VanDerWaalsContact C-N 3.33Å; V106-F108 PolarHBondContact O-N 2.81Å; V106-H110 VanDerWaalsContact O-CB 3.29Å; V106-H110 WeakPolarHBondContact O-CB 3.28Å; V106-H110 PolarHBondContact O-N 2.83Å; V106-I122 HydrophobicContact CG1-CD1 4.29Å; V106-I122 HydrophobicContact CG2-CG2 4.45Å; V106-I124 HydrophobicContact CG2-CD1 4.35Å; V106-I296 HydrophobicContact CB-CB 4.24Å; V106-I296 HydrophobicContact CB-CD1 4.05Å; V106-I296 HydrophobicContact CG1-CB 4.08Å; V106-I296 HydrophobicContact CG1-CD1 4.37Å; V106-I296 HydrophobicContact CG1-CG1 4.46Å; V106-I296 HydrophobicContact CG2-CD1 3.94Å; V106-A299 HydrophobicContact CG1-CB 3.82Å; V106-C301 HydrophobicContact CG1-CB 4Å; V106-C301 HydrophobicContact CG2-CB 4.31Å
107	P	98.7	Very high	98.3	Very high	32 Å²	32	59.8 Å²	59.8	21%	0.208	28%	0.277	C	S	.	.	H	α-helix	trans	-65.5	-35	176.9	24.5	-33.3	0	0	0	113	L103 K111 I296 A299	L103-P107 WeakPolarHBondContact O-CD 3.38Å; L103-P107 VanDerWaalsContact O-CG 3.24Å; L103-P107 WeakPolarHBondContact O-CG 3.49Å; P107-K111 WeakPolarHBondContact O-CB 3.3Å; P107-K111 PolarHBondContact O-N 3.43Å; P107-K111 VanDerWaalsContact O-N 3.11Å; P107-I296 HydrophobicContact CG-CG2 4.44Å; P107-A299 HydrophobicContact CB-CB 4.29Å
108	F	98.8	Very high	98.2	Very high	63 Å²	63	53.4 Å²	53.4	28%	0.276	25%	0.247	S	C	.	.	H	α-helix	trans	-61.8	-53.9	177	-177.2	-81.4	0	0	0	111.5	V104 F105 V106 K111 F112 L161 P162 L163	V104-F108 WeakPolarHBondContact O-CB 3.36Å; V104-F108 PolarHBondContact O-N 3.42Å; F105-F108 PolarHBondContact O-N 2.94Å; V106-F108 VanDerWaalsContact C-N 3.33Å; V106-F108 PolarHBondContact O-N 2.81Å; F108-K111 PolarHBondContact O-N 3.45Å; F108-F112 HydrophobicContact CE1-CB 4.34Å; F108-F112 HydrophobicContact CE1-CD2 4.49Å; F108-F112 WeakPolarHBondContact O-CB 3.12Å; F108-F112 PolarHBondContact O-N 3.46Å; F108-L161 HydrophobicContact CB-CD1 4.43Å; F108-L161 HydrophobicContact CB-CD2 4.48Å; F108-L161 HydrophobicContact CD1-CB 4.04Å; F108-L161 HydrophobicContact CD1-CD1 4.33Å; F108-L161 HydrophobicContact CD1-CD2 3.97Å; F108-L161 HydrophobicContact CD1-CG 4.34Å; F108-L161 HydrophobicContact CD2-CD1 4.12Å; F108-L161 HydrophobicContact CE1-CB 3.83Å; F108-L161 HydrophobicContact CG-CD1 4.03Å; F108-L161 HydrophobicContact CG-CD2 4.28Å; F108-L161 HydrophobicContact CZ-CB 4.08Å; F108-P162 HydrophobicContact CE1-CG 4.07Å; F108-P162 WeakPolarHBondContact CE1-O 3.4Å; F108-P162 WeakPolarHBondContact CZ-O 3.42Å; F108-L163 HydrophobicContact CE2-CD2 4.32Å; F108-L163 HydrophobicContact CZ-CD2 4.14Å
109	M	98.8	Very high	98.2	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-67.3	-39.7	-176.8	-72	-54.2	-62.4	0	0	111.9	L91 F105 K111 F112 L113 H156 P162 Y169	L91-M109 HydrophobicContact CD1-CE 4.41Å; L91-M109 HydrophobicContact CD2-CB 3.91Å; L91-M109 HydrophobicContact CD2-CE 4.24Å; L91-M109 HydrophobicContact CD2-CG 4.23Å; F105-M109 HydrophobicContact CD1-CG 4.17Å; F105-M109 HydrophobicContact CD2-CG 3.93Å; F105-M109 HydrophobicContact CE1-CB 4.3Å; F105-M109 HydrophobicContact CE1-CG 3.81Å; F105-M109 HydrophobicContact CE2-CG 3.59Å; F105-M109 HydrophobicContact CE2-SD 4.4Å; F105-M109 HydrophobicContact CG-CG 4.22Å; F105-M109 HydrophobicContact CZ-CB 4.42Å; F105-M109 HydrophobicContact CZ-CG 3.53Å; F105-M109 WeakPolarHBondContact O-CB 3.13Å; F105-M109 WeakPolarHBondContact O-CG 3.29Å; F105-M109 PolarHBondContact O-N 2.88Å; M109-K111 VanDerWaalsContact C-N 3.34Å; M109-K111 PolarHBondContact O-N 2.98Å; M109-F112 HydrophobicContact CE-CD1 4.4Å; M109-F112 PolarHBondContact O-N 3.34Å; M109-L113 HydrophobicContact CE-CD1 4.44Å; M109-L113 HydrophobicContact CE-CG 4.41Å; M109-L113 WeakPolarHBondContact O-CB 3.15Å; M109-L113 VanDerWaalsContact O-CG 3.29Å; M109-L113 WeakPolarHBondContact O-CG 3.24Å; M109-L113 PolarHBondContact O-N 2.83Å; M109-H156 WeakPolarHBondContact CE-NE2 3.44Å; M109-P162 HydrophobicContact CE-CG 4.16Å; M109-P162 WeakPolarHBondContact SD-CD 3.23Å; M109-P162 HydrophobicContact SD-CG 3.75Å; M109-Y169 HydrophobicContact CE-CE1 3.92Å
110	H	98.3	Very high	98.2	Very high	21 Å²	21	48 Å²	48	10%	0.097	22%	0.224	C	C	.	.	H	α-helix	trans	-58.9	-46.5	175.5	-173.5	62.1	0	0	0	111.4	V106 N114 H120 I122 A299	V106-H110 VanDerWaalsContact O-CB 3.29Å; V106-H110 WeakPolarHBondContact O-CB 3.28Å; V106-H110 PolarHBondContact O-N 2.83Å; H110-N114 PolarHBondContact CE1-ND2 3.33Å; H110-N114 VanDerWaalsContact CE1-ND2 3.33Å; H110-N114 PolarHBondContact NE2-ND2 2.89Å; H110-N114 VanDerWaalsContact O-CB 3.28Å; H110-N114 WeakPolarHBondContact O-CB 3.45Å; H110-N114 PolarHBondContact O-N 2.96Å; H110-N114 PolarHBondContact O-ND2 3.2Å; H110-H120 AromaticContact CE1-NE2 3.8Å; H110-H120 AromaticContact CG-NE2 3.8Å; H110-H120 AromaticContact ND1-CE1 3.43Å; H110-H120 PolarHBondContact ND1-CE1 2.85Å; H110-H120 AromaticContact ND1-NE2 2.89Å; H110-H120 PolarHBondContact ND1-NE2 3.08Å; H110-I122 HydrophobicContact CB-CD1 4.15Å; H110-A299 HydrophobicContact CB-CB 3.54Å
111	K	98.3	Very high	98.2	Very high	161 Å²	161	45.3 Å²	45.3	70%	0.7	21%	0.211	S	C	*	.	H	α-helix	trans	-63.2	-45.8	175.1	-177.4	-180	178.7	-179.7	0	112.3	P107 F108 M109 N114 K115	P107-K111 WeakPolarHBondContact O-CB 3.3Å; P107-K111 PolarHBondContact O-N 3.43Å; P107-K111 VanDerWaalsContact O-N 3.11Å; F108-K111 PolarHBondContact O-N 3.45Å; M109-K111 VanDerWaalsContact C-N 3.34Å; M109-K111 PolarHBondContact O-N 2.98Å; K111-N114 PolarHBondContact O-N 3.27Å; K111-K115 WeakPolarHBondContact O-CB 3.23Å; K111-K115 PolarHBondContact O-N 3.43Å
112	F	98.7	Very high	98.2	Very high	17 Å²	17	45 Å²	45	8%	0.075	21%	0.21	C	C	.	.	H	α-helix	trans	-59.8	-47.1	-179.5	-179.7	-92.7	0	0	0	111.5	F108 M109 K116 P162 E165 Y169	F108-F112 HydrophobicContact CE1-CB 4.34Å; F108-F112 HydrophobicContact CE1-CD2 4.49Å; F108-F112 WeakPolarHBondContact O-CB 3.12Å; F108-F112 PolarHBondContact O-N 3.46Å; M109-F112 HydrophobicContact CE-CD1 4.4Å; M109-F112 PolarHBondContact O-N 3.34Å; F112-K116 HydrophobicContact CD1-CD 3.96Å; F112-K116 HydrophobicContact CE1-CD 3.45Å; F112-K116 VanDerWaalsContact CE1-CD 3.45Å; F112-K116 HydrophobicContact CE2-CD 4.43Å; F112-K116 HydrophobicContact CZ-CD 3.72Å; F112-K116 WeakPolarHBondContact O-CG 3.23Å; F112-K116 PolarHBondContact O-N 2.96Å; F112-P162 HydrophobicContact CD1-CG 3.96Å; F112-P162 HydrophobicContact CD2-CG 4.17Å; F112-P162 HydrophobicContact CE1-CB 4.24Å; F112-P162 HydrophobicContact CE1-CG 3.82Å; F112-P162 HydrophobicContact CE2-CB 4.05Å; F112-P162 HydrophobicContact CE2-CG 4.03Å; F112-P162 HydrophobicContact CG-CG 4.15Å; F112-P162 HydrophobicContact CZ-CB 3.83Å; F112-P162 HydrophobicContact CZ-CG 3.86Å; F112-E165 HydrophobicContact CE2-CG 4.49Å; F112-Y169 AromaticContact CE1-CD2 3.64Å; F112-Y169 HydrophobicContact CE1-CD2 3.64Å; F112-Y169 AromaticContact CE1-CE2 3.63Å; F112-Y169 HydrophobicContact CE1-CE2 3.63Å; F112-Y169 HydrophobicContact CE1-CG 4.27Å; F112-Y169 HydrophobicContact CZ-CD2 4.28Å; F112-Y169 HydrophobicContact CZ-CE2 4.12Å
113	L	98.4	Very high	98.2	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-71.5	-38.8	179.9	-66.2	173	0	0	0	112.3	L89 L91 M109 K115 K116 K117 I118 H120 Y169	L89-L113 HydrophobicContact CD2-CD1 4.06Å; L89-L113 HydrophobicContact CD2-CD2 4.14Å; L91-L113 HydrophobicContact CD2-CD1 4.21Å; M109-L113 HydrophobicContact CE-CD1 4.44Å; M109-L113 HydrophobicContact CE-CG 4.41Å; M109-L113 WeakPolarHBondContact O-CB 3.15Å; M109-L113 VanDerWaalsContact O-CG 3.29Å; M109-L113 WeakPolarHBondContact O-CG 3.24Å; M109-L113 PolarHBondContact O-N 2.83Å; L113-K115 PolarHBondContact O-N 2.93Å; L113-K116 CarbonylContact O-C 3.59Å; L113-K116 PolarHBondContact O-N 3.47Å; L113-K116 VanDerWaalsContact O-N 3.14Å; L113-K117 PolarHBondContact O-N 2.99Å; L113-K117 VanDerWaalsContact O-N 3.1Å; L113-I118 HydrophobicContact CB-CB 4.33Å; L113-I118 HydrophobicContact CD2-CB 4.29Å; L113-I118 HydrophobicContact CD2-CD1 3.92Å; L113-I118 HydrophobicContact CD2-CG2 4.26Å; L113-I118 PolarHBondContact O-N 3.46Å; L113-H120 HydrophobicContact CD1-CB 4.04Å; L113-Y169 HydrophobicContact CD2-CD1 3.92Å; L113-Y169 HydrophobicContact CD2-CG 4.09Å
114	N	97.2	Very high	98.2	Very high	41 Å²	41	41.4 Å²	41.4	22%	0.219	19%	0.191	C	C	.	.	H	α-helix	trans	-62.5	-41.9	174.4	-76.8	-10.8	0	0	0	112.1	W84 H110 K111 K116 K117 H120	W84-N114 HydrophobicContact CH2-CB 4.18Å; W84-N114 HydrophobicContact CZ3-CB 4.28Å; W84-N114 WeakPolarHBondContact CZ3-OD1 3.41Å; H110-N114 PolarHBondContact CE1-ND2 3.33Å; H110-N114 VanDerWaalsContact CE1-ND2 3.33Å; H110-N114 PolarHBondContact NE2-ND2 2.89Å; H110-N114 VanDerWaalsContact O-CB 3.28Å; H110-N114 WeakPolarHBondContact O-CB 3.45Å; H110-N114 PolarHBondContact O-N 2.96Å; H110-N114 PolarHBondContact O-ND2 3.2Å; K111-N114 PolarHBondContact O-N 3.27Å; N114-K116 PolarHBondContact O-N 2.93Å; N114-K117 PolarHBondContact O-N 3.12Å; N114-H120 PolarHBondContact OD1-CE1 3.08Å
115	K	97.1	Very high	98.2	Very high	135 Å²	135	38.1 Å²	38.1	59%	0.587	17%	0.171	S	C	*	.	H	α-helix	trans	-60	-32.5	175.7	-175.6	171.3	177.4	179.6	0	112	K111 L113 K117 E165	K111-K115 WeakPolarHBondContact O-CB 3.23Å; K111-K115 PolarHBondContact O-N 3.43Å; L113-K115 PolarHBondContact O-N 2.93Å; K115-K117 VanDerWaalsContact C-N 3.29Å; K115-E165 WeakPolarHBondContact CD-OE1 3.26Å; K115-E165 WeakPolarHBondContact CE-OE1 3.44Å; K115-E165 WeakPolarHBondContact CE-OE2 3.4Å; K115-E165 IonicContact NZ-OE1 3.83Å; K115-E165 PolarHBondContact NZ-OE1 2.79Å; K115-E165 IonicContact NZ-OE2 3.69Å; K115-E165 PolarHBondContact NZ-OE2 3.25Å
116	K	96.9	Very high	98.2	Very high	62 Å²	62	39.7 Å²	39.7	27%	0.27	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	1.4	176.1	-63.8	175.5	71.4	67.8	0	113.4	F112 L113 N114 I118 E165 L167	F112-K116 HydrophobicContact CD1-CD 3.96Å; F112-K116 HydrophobicContact CE1-CD 3.45Å; F112-K116 VanDerWaalsContact CE1-CD 3.45Å; F112-K116 HydrophobicContact CE2-CD 4.43Å; F112-K116 HydrophobicContact CZ-CD 3.72Å; F112-K116 WeakPolarHBondContact O-CG 3.23Å; F112-K116 PolarHBondContact O-N 2.96Å; L113-K116 CarbonylContact O-C 3.59Å; L113-K116 PolarHBondContact O-N 3.47Å; L113-K116 VanDerWaalsContact O-N 3.14Å; N114-K116 PolarHBondContact O-N 2.93Å; K116-I118 VanDerWaalsContact C-N 3.33Å; K116-I118 HydrophobicContact CB-CD1 3.82Å; K116-I118 HydrophobicContact CB-CG1 4.06Å; K116-I118 HydrophobicContact CD-CD1 4.39Å; K116-I118 PolarHBondContact O-N 3.36Å; K116-E165 PolarHBondContact NZ-O 3.25Å; K116-L167 WeakPolarHBondContact CE-O 3.27Å; K116-L167 PolarHBondContact NZ-O 3.42Å
117	K	97.1	Very high	98.2	Very high	132 Å²	132	39.8 Å²	39.8	57%	0.574	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	48.7	-175.6	-59.3	-176.9	179.8	-176	0	111.7	W84 L113 N114 K115	W84-K117 HydrophobicContact CB-CB 3.95Å; W84-K117 WeakPolarHBondContact CB-O 3.48Å; W84-K117 HydrophobicContact CD2-CB 3.76Å; W84-K117 HydrophobicContact CD2-CG 4.1Å; W84-K117 HydrophobicContact CE3-CB 4.2Å; W84-K117 HydrophobicContact CG-CB 3.63Å; W84-K117 HydrophobicContact CG-CD 4.46Å; W84-K117 HydrophobicContact CG-CG 4.14Å; L113-K117 PolarHBondContact O-N 2.99Å; L113-K117 VanDerWaalsContact O-N 3.1Å; N114-K117 PolarHBondContact O-N 3.12Å; K115-K117 VanDerWaalsContact C-N 3.29Å
118	I	97.7	Very high	98.2	Very high	14 Å²	14	40.5 Å²	40.5	7%	0.072	18%	0.183	C	C	.	.			trans	-105.7	118.1	176.2	-65.7	168.8	0	0	0	108.1	L89 L113 K116 H120 Y152 Y169	L89-I118 HydrophobicContact CB-CG2 4.04Å; L89-I118 HydrophobicContact CD2-CG2 4.18Å; L113-I118 HydrophobicContact CB-CB 4.33Å; L113-I118 HydrophobicContact CD2-CB 4.29Å; L113-I118 HydrophobicContact CD2-CD1 3.92Å; L113-I118 HydrophobicContact CD2-CG2 4.26Å; L113-I118 PolarHBondContact O-N 3.46Å; K116-I118 VanDerWaalsContact C-N 3.33Å; K116-I118 HydrophobicContact CB-CD1 3.82Å; K116-I118 HydrophobicContact CB-CG1 4.06Å; K116-I118 HydrophobicContact CD-CD1 4.39Å; K116-I118 PolarHBondContact O-N 3.36Å; I118-H120 PolarHBondContact O-ND1 3.27Å; I118-Y152 WeakPolarHBondContact CG2-OH 3.47Å; I118-Y169 VanDerWaalsContact CD1-CB 3.47Å
119	R	98	Very high	98.2	Very high	53 Å²	53	38.3 Å²	38.3	20%	0.2	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	132.2	172.6	-59.9	171.9	67	-165.9	-1.7	108.6	D80 W84 G85 K88 L89	D80-R119 HydrophobicContact CB-CB 4.44Å; D80-R119 HydrophobicContact CB-CG 4.44Å; W84-R119 HydrophobicContact CB-CG 4.09Å; G85-R119 WeakPolarHBondContact O-CD 3.35Å; G85-R119 PolarHBondContact O-NH1 2.87Å; G85-R119 VanDerWaalsContact O-NH1 3.1Å; K88-R119 WeakPolarHBondContact CA-O 3.49Å; K88-R119 HydrophobicContact CB-CB 4.25Å; K88-R119 HydrophobicContact CG-CB 4.1Å; L89-R119 PolarHBondContact N-O 2.82Å
120	H	98.1	Very high	98.2	Very high	15 Å²	15	47.4 Å²	47.4	7%	0.069	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	154.3	-169.8	63.8	-85.9	0	0	0	114.8	D80 L89 H110 L113 N114 I118	D80-H120 PolarHBondContact OD1-N 2.98Å; D80-H120 VanDerWaalsContact OD1-N 3.11Å; L89-H120 HydrophobicContact CB-CB 3.99Å; L89-H120 HydrophobicContact CD2-CB 4.48Å; L89-H120 HydrophobicContact CG-CB 4.45Å; L89-H120 CarbonylContact O-C 3.51Å; L89-H120 VanDerWaalsContact O-CA 3.23Å; L89-H120 WeakPolarHBondContact O-CA 3.33Å; H110-H120 AromaticContact CE1-NE2 3.8Å; H110-H120 AromaticContact CG-NE2 3.8Å; H110-H120 AromaticContact ND1-CE1 3.43Å; H110-H120 PolarHBondContact ND1-CE1 2.85Å; H110-H120 AromaticContact ND1-NE2 2.89Å; H110-H120 PolarHBondContact ND1-NE2 3.08Å; L113-H120 HydrophobicContact CD1-CB 4.04Å; N114-H120 PolarHBondContact OD1-CE1 3.08Å; I118-H120 PolarHBondContact O-ND1 3.27Å
121	K	97.5	Very high	98.2	Very high	48 Å²	48	49 Å²	49	21%	0.209	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	126.4	169.5	-171.7	-175.8	-60.4	169.5	0	108.4	L89 L91 L123 S146 D149	L89-K121 PolarHBondContact O-N 3.08Å; L91-K121 PolarHBondContact N-O 3.47Å; K121-L123 HydrophobicContact CD-CD1 4.45Å; K121-L123 HydrophobicContact CD-CD2 3.63Å; K121-L123 HydrophobicContact CD-CG 4.15Å; K121-L123 HydrophobicContact CG-CD2 3.82Å; K121-L123 HydrophobicContact CG-CG 4.17Å; K121-S146 PolarHBondContact NZ-O 2.87Å; K121-D149 WeakPolarHBondContact CE-OD2 3.41Å; K121-D149 IonicContact NZ-OD1 2.76Å; K121-D149 PolarHBondContact NZ-OD1 2.86Å; K121-D149 IonicContact NZ-OD2 3.03Å; K121-D149 PolarHBondContact NZ-OD2 3.01Å; K121-D149 VanDerWaalsContact NZ-OD2 3.14Å
122	I	98.8	Very high	98.2	Very high	3 Å²	3	41.6 Å²	41.6	2%	0.015	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	115.3	176.1	-53.6	-176.8	0	0	0	108.5	L91 V106 H110 I124 C301 T302	L91-I122 HydrophobicContact CD2-CD1 4.34Å; L91-I122 HydrophobicContact CD2-CG1 4.02Å; L91-I122 HydrophobicContact CD2-CG2 4.32Å; V106-I122 HydrophobicContact CG1-CD1 4.29Å; V106-I122 HydrophobicContact CG2-CG2 4.45Å; H110-I122 HydrophobicContact CB-CD1 4.15Å; I122-I124 HydrophobicContact CG2-CD1 3.8Å; I122-C301 HydrophobicContact CB-CB 3.85Å; I122-C301 HydrophobicContact CG2-CB 3.88Å; I122-C301 WeakPolarHBondContact O-CA 3.34Å; I122-T302 PolarHBondContact O-N 2.89Å
123	L	98.9	Very high	98.2	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.016	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	112.6	-178.7	-63.7	-177.9	0	0	0	110.4	L91 V93 K121 I125 I304	L91-L123 PolarHBondContact O-N 3.34Å; V93-L123 PolarHBondContact N-O 2.95Å; K121-L123 HydrophobicContact CD-CD1 4.45Å; K121-L123 HydrophobicContact CD-CD2 3.63Å; K121-L123 HydrophobicContact CD-CG 4.15Å; K121-L123 HydrophobicContact CG-CD2 3.82Å; K121-L123 HydrophobicContact CG-CG 4.17Å; L123-I125 HydrophobicContact CB-CD1 4.04Å; L123-I304 HydrophobicContact CD2-CD1 4.36Å
124	I	98.9	Very high	98.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	104	175.8	-47.7	-52.9	0	0	0	108	V93 F95 L102 V106 I122 N126 C301 T302 I303 I304	V93-I124 HydrophobicContact CB-CD1 3.74Å; V93-I124 HydrophobicContact CG1-CD1 4.16Å; V93-I124 HydrophobicContact CG2-CD1 3.85Å; F95-I124 HydrophobicContact CB-CG2 3.55Å; F95-I124 HydrophobicContact CD1-CG2 3.93Å; F95-I124 HydrophobicContact CD2-CG2 3.97Å; F95-I124 HydrophobicContact CG-CG2 3.53Å; L102-I124 HydrophobicContact CD1-CD1 3.47Å; L102-I124 VanDerWaalsContact CD1-CD1 3.47Å; L102-I124 HydrophobicContact CD1-CG1 3.85Å; L102-I124 HydrophobicContact CD1-CG2 4.23Å; L102-I124 HydrophobicContact CD2-CG2 4.42Å; V106-I124 HydrophobicContact CG2-CD1 4.35Å; I122-I124 HydrophobicContact CG2-CD1 3.8Å; I124-N126 PolarHBondContact O-N 2.79Å; I124-C301 HydrophobicContact CG1-CB 4.39Å; I124-T302 PolarHBondContact N-O 3.21Å; I124-I303 HydrophobicContact CB-CG1 4.11Å; I124-I303 HydrophobicContact CG1-CG1 4.36Å; I124-I304 PolarHBondContact O-N 3.43Å
125	I	98.9	Very high	98.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	91.2	-179.3	-45.6	-55.6	0	0	0	107.9	V92 V93 F95 L123 L138 V141 I304	V92-I125 HydrophobicContact CG1-CG1 3.86Å; V93-I125 PolarHBondContact O-N 3Å; F95-I125 PolarHBondContact N-O 3.36Å; L123-I125 HydrophobicContact CB-CD1 4.04Å; I125-L138 HydrophobicContact CB-CB 4.26Å; I125-L138 HydrophobicContact CG2-CB 3.96Å; I125-L138 HydrophobicContact CG2-CD2 3.69Å; I125-L138 HydrophobicContact CG2-CG 4.4Å; I125-V141 HydrophobicContact CG2-CB 4.03Å; I125-V141 HydrophobicContact CG2-CG1 3.79Å; I125-I304 HydrophobicContact CD1-CB 4.24Å; I125-I304 HydrophobicContact CD1-CD1 4.04Å; I125-I304 HydrophobicContact CD1-CG1 4.43Å
126	N	98.9	Very high	98.3	Very high	33 Å²	33	36.4 Å²	36.4	18%	0.176	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	112.4	-173.8	-177.2	32.7	0	0	0	110.6	F95 I124 V128 I303 I304 N305 T306	F95-N126 HydrophobicContact CD1-CB 4.16Å; F95-N126 WeakPolarHBondContact CD1-OD1 3.22Å; F95-N126 WeakPolarHBondContact O-CA 3.26Å; I124-N126 PolarHBondContact O-N 2.79Å; N126-V128 WeakPolarHBondContact ND2-CG1 3.29Å; N126-V128 PolarHBondContact O-N 3.38Å; N126-I303 HydrophobicContact CB-CG2 4.04Å; N126-I304 PolarHBondContact N-O 2.97Å; N126-N305 WeakPolarHBondContact CB-OD1 3.34Å; N126-N305 PolarHBondContact ND2-OD1 2.97Å; N126-T306 PolarHBondContact O-N 3.46Å
127	Q	98.9	Very high	98.4	Very high	3 Å²	3	33.6 Å²	33.6	1%	0.014	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	106.4	179.5	-163	-174.4	-24.4	0	0	110.9	F95 R96 D129 R132 F133 L138 T306 L308	F95-Q127 PolarHBondContact O-N 2.64Å; R96-Q127 PolarHBondContact NE-O 2.78Å; R96-Q127 PolarHBondContact NH2-O 2.79Å; Q127-D129 WeakPolarHBondContact CG-OD2 3.28Å; Q127-D129 PolarHBondContact NE2-OD1 2.95Å; Q127-D129 PolarHBondContact NE2-OD2 3.22Å; Q127-R132 PolarHBondContact NE2-O 3Å; Q127-F133 HydrophobicContact CB-CD2 4.5Å; Q127-L138 HydrophobicContact CB-CD1 3.85Å; Q127-L138 HydrophobicContact CB-CD2 3.69Å; Q127-L138 HydrophobicContact CB-CG 4.32Å; Q127-L138 HydrophobicContact CG-CD1 4.47Å; Q127-L138 HydrophobicContact CG-CD2 3.95Å; Q127-T306 WeakPolarHBondContact CA-O 3.45Å; Q127-L308 HydrophobicContact CG-CD1 4.14Å; Q127-L308 HydrophobicContact CG-CG 4.36Å
128	V	98.8	Very high	98.5	Very high	46 Å²	46	27.3 Å²	27.3	28%	0.279	13%	0.126	S	C	.	.			trans	-104.1	-5.2	-174.5	-57.7	0	0	0	0	114.2	N126 D289 N305 T306 K307	N126-V128 WeakPolarHBondContact ND2-CG1 3.29Å; N126-V128 PolarHBondContact O-N 3.38Å; V128-D289 HydrophobicContact CG2-CB 4.32Å; V128-N305 HydrophobicContact CG1-CB 3.9Å; V128-N305 HydrophobicContact CG2-CB 4.29Å; V128-T306 WeakPolarHBondContact CG2-O 3.38Å; V128-T306 PolarHBondContact N-O 3.33Å; V128-K307 HydrophobicContact CG2-CG 3.69Å
129	D	98.4	Very high	98.6	Very high	17 Å²	17	26.7 Å²	26.7	9%	0.091	12%	0.122	C	C	.	.	S	Bend	trans	-67.3	169.1	165.5	59.8	78.2	0	0	0	111.8	R96 Q127 Y131 K307 L308	R96-D129 PolarHBondContact NH2-O 3.42Å; R96-D129 IonicContact NH2-OD1 3.18Å; R96-D129 PolarHBondContact NH2-OD1 3.18Å; Q127-D129 WeakPolarHBondContact CG-OD2 3.28Å; Q127-D129 PolarHBondContact NE2-OD1 2.95Å; Q127-D129 PolarHBondContact NE2-OD2 3.22Å; D129-Y131 HydrophobicContact CB-CD2 4.05Å; D129-Y131 WeakPolarHBondContact OD1-CB 3.34Å; D129-Y131 WeakPolarHBondContact OD1-CD2 3.42Å; D129-Y131 PolarHBondContact OD1-N 2.96Å; D129-Y131 VanDerWaalsContact OD1-N 3.11Å; D129-K307 HydrophobicContact CB-CB 4.46Å; D129-L308 PolarHBondContact OD2-N 3.46Å
130	H	97.4	Very high	98.6	Very high	191 Å²	191	24.1 Å²	24.1	88%	0.884	11%	0.113	S	C	*	.	S	Bend	trans	-97.5	9	-178.4	-60.7	-53	0	0	0	113.9
131	Y	98.2	Very high	98.7	Very high	55 Å²	55	23.4 Å²	23.4	22%	0.216	11%	0.11	C	C	.	.	S	Bend	trans	-73.5	167.3	172.7	-58.5	-61	0	0	0	110.4	R96 D129 W216 L308 C310 C318 L319	R96-Y131 PolarHBondContact NH1-O 2.74Å; R96-Y131 PolarHBondContact NH2-O 2.59Å; D129-Y131 HydrophobicContact CB-CD2 4.05Å; D129-Y131 WeakPolarHBondContact OD1-CB 3.34Å; D129-Y131 WeakPolarHBondContact OD1-CD2 3.42Å; D129-Y131 PolarHBondContact OD1-N 2.96Å; D129-Y131 VanDerWaalsContact OD1-N 3.11Å; Y131-W216 VanDerWaalsContact CB-CZ3 3.42Å; Y131-W216 HydrophobicContact CD2-CH2 4.16Å; Y131-W216 HydrophobicContact CD2-CZ3 4.23Å; Y131-W216 HydrophobicContact CG-CH2 4.33Å; Y131-W216 HydrophobicContact CG-CZ3 4.08Å; Y131-L308 WeakPolarHBondContact CE2-O 3.41Å; Y131-C310 HydrophobicContact CD1-CB 4Å; Y131-C310 HydrophobicContact CD2-CB 4.06Å; Y131-C310 HydrophobicContact CE1-CB 3.74Å; Y131-C310 HydrophobicContact CE2-CB 3.8Å; Y131-C310 HydrophobicContact CG-CB 4.17Å; Y131-C318 WeakPolarHBondContact CA-O 3.44Å; Y131-C318 WeakPolarHBondContact CB-O 3.43Å; Y131-C318 HydrophobicContact CD1-CB 4.16Å; Y131-C318 HydrophobicContact CG-CB 4.48Å; Y131-L319 HydrophobicContact CD1-CD2 3.57Å; Y131-L319 HydrophobicContact CD1-CG 4.09Å; Y131-L319 HydrophobicContact CE1-CD2 3.76Å; Y131-L319 HydrophobicContact CE1-CG 4.21Å
132	R	98.4	Very high	98.7	Very high	6 Å²	6	21.1 Å²	21.1	2%	0.023	10%	0.1	C	C	.	.	P	Polyproline II helix	trans	-55	155.3	170.4	-67.6	173.2	80.8	-177	3.5	110.6	Q127 N134 W216 D261 K263 W317 C318 L320	Q127-R132 PolarHBondContact NE2-O 3Å; R132-N134 PolarHBondContact O-N 2.75Å; R132-W216 HydrophobicContact CB-CB 4.1Å; R132-W216 PolarHBondContact NH1-O 3.26Å; R132-W216 VanDerWaalsContact O-CE3 3.23Å; R132-D261 IonicContact CZ-OD1 3.8Å; R132-D261 IonicContact CZ-OD2 3.47Å; R132-D261 IonicContact NE-OD1 2.91Å; R132-D261 IonicContact NE-OD2 3.65Å; R132-D261 PolarHBondContact NE-OD2 2.83Å; R132-D261 PolarHBondContact NH2-O 3.35Å; R132-D261 IonicContact NH2-OD1 3.12Å; R132-D261 PolarHBondContact NH2-OD1 2.7Å; R132-D261 IonicContact NH2-OD2 2.67Å; R132-D261 PolarHBondContact NH2-OD2 3.2Å; R132-K263 PolarHBondContact NH1-O 2.7Å; R132-K263 PolarHBondContact NH2-O 3.25Å; R132-W317 WeakPolarHBondContact CD-O 3.29Å; R132-W317 PolarHBondContact NH1-O 3.49Å; R132-C318 WeakPolarHBondContact CG-O 3.44Å; R132-C318 PolarHBondContact N-O 2.99Å; R132-L320 HydrophobicContact CG-CD1 4.28Å; R132-L320 HydrophobicContact CG-CD2 4.05Å; R132-L320 HydrophobicContact CG-CG 3.63Å
133	F	98.7	Very high	98.7	Very high	60 Å²	60	22.4 Å²	22.4	26%	0.263	11%	0.105	S	C	.	.	P	Polyproline II helix	trans	-63.8	130.1	179.4	-173.3	-110	0	0	0	110.5	P94 R96 Q127 R135 L138 G217	P94-F133 HydrophobicContact CB-CZ 3.93Å; R96-F133 HydrophobicContact CB-CD2 3.78Å; R96-F133 HydrophobicContact CB-CE2 3.88Å; Q127-F133 HydrophobicContact CB-CD2 4.5Å; F133-R135 HydrophobicContact CD1-CB 4.42Å; F133-R135 HydrophobicContact CE1-CB 3.92Å; F133-L138 HydrophobicContact CD2-CD1 4.02Å; F133-L138 HydrophobicContact CE2-CD1 3.31Å; F133-L138 HydrophobicContact CZ-CD1 3.68Å; F133-G217 PolarHBondContact O-N 2.7Å
134	N	98.8	Very high	98.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.121	C	C	.	.			trans	-124.1	82.5	-177	-170.6	-32.9	0	0	0	110.1	R132 A136 S137 L138 N213 F215 W216 L308	R132-N134 PolarHBondContact O-N 2.75Å; N134-A136 VanDerWaalsContact C-N 3.32Å; N134-A136 PolarHBondContact O-N 2.78Å; N134-S137 PolarHBondContact ND2-OG 3.42Å; N134-S137 PolarHBondContact O-N 3.35Å; N134-S137 VanDerWaalsContact OD1-CB 3.28Å; N134-S137 WeakPolarHBondContact OD1-CB 3.43Å; N134-S137 PolarHBondContact OD1-N 3.38Å; N134-S137 PolarHBondContact OD1-OG 2.91Å; N134-L138 VanDerWaalsContact O-CG 3.28Å; N134-L138 WeakPolarHBondContact O-CG 3.44Å; N134-L138 PolarHBondContact O-N 2.86Å; N134-L138 VanDerWaalsContact O-N 3.13Å; N134-N213 PolarHBondContact ND2-O 3.03Å; N134-F215 VanDerWaalsContact CG-O 3.26Å; N134-F215 PolarHBondContact OD1-O 3.15Å; N134-W216 HydrophobicContact CB-CD2 4.15Å; N134-W216 HydrophobicContact CB-CE3 3.59Å; N134-W216 HydrophobicContact CB-CH2 4.38Å; N134-W216 HydrophobicContact CB-CZ3 3.71Å; N134-W216 VanDerWaalsContact ND2-CD2 3.3Å; N134-W216 VanDerWaalsContact ND2-CE2 3.27Å; N134-L308 HydrophobicContact CB-CD1 3.76Å
135	R	98.9	Very high	98.7	Very high	23 Å²	23	28.1 Å²	28.1	9%	0.087	13%	0.13	C	C	.	.	H	α-helix	trans	-51.9	-49.2	-177	-178.4	171.4	172.4	-78.8	-6.1	112.2	P94 F133 L138 I139 D157 E221	P94-R135 HydrophobicContact CB-CG 4.11Å; P94-R135 HydrophobicContact CG-CG 3.77Å; F133-R135 HydrophobicContact CD1-CB 4.42Å; F133-R135 HydrophobicContact CE1-CB 3.92Å; R135-L138 PolarHBondContact O-N 2.84Å; R135-I139 WeakPolarHBondContact O-CG1 3.45Å; R135-I139 PolarHBondContact O-N 3.04Å; R135-D157 IonicContact CZ-OD1 3.44Å; R135-D157 IonicContact NE-OD1 3.35Å; R135-D157 PolarHBondContact NE-OD1 3.11Å; R135-D157 IonicContact NH2-OD1 2.7Å; R135-D157 PolarHBondContact NH2-OD1 2.83Å; R135-E221 WeakPolarHBondContact CD-OE1 3.35Å; R135-E221 IonicContact CZ-OE1 3.62Å; R135-E221 IonicContact NE-OE1 3.73Å; R135-E221 IonicContact NH1-OE1 3.15Å; R135-E221 PolarHBondContact NH1-OE1 3.14Å
136	A	98.8	Very high	98.6	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.008	13%	0.13	C	C	.	.	H	α-helix	trans	-61.9	-45.7	-177.1	0	0	0	0	0	113.3	N134 L138 I139 N140 M211 S212 E221	N134-A136 VanDerWaalsContact C-N 3.32Å; N134-A136 PolarHBondContact O-N 2.78Å; A136-L138 VanDerWaalsContact C-N 3.31Å; A136-L138 PolarHBondContact O-N 3.42Å; A136-I139 PolarHBondContact O-N 3.27Å; A136-N140 PolarHBondContact O-N 3.22Å; A136-M211 HydrophobicContact CB-CB 3.63Å; A136-M211 HydrophobicContact CB-CE 4.01Å; A136-M211 HydrophobicContact CB-CG 4.44Å; A136-M211 HydrophobicContact CB-SD 4.05Å; A136-S212 WeakPolarHBondContact CB-O 3.21Å; A136-E221 HydrophobicContact CB-CB 3.85Å; A136-E221 HydrophobicContact CB-CG 3.82Å
137	S	98.8	Very high	98.4	Very high	3 Å²	3	27.9 Å²	27.9	2%	0.021	14%	0.136	C	C	.	.	H	α-helix	trans	-65	-37.4	178	-58.2	0	0	0	0	111.6	N134 I139 N140 V141 N213	N134-S137 PolarHBondContact ND2-OG 3.42Å; N134-S137 PolarHBondContact O-N 3.35Å; N134-S137 VanDerWaalsContact OD1-CB 3.28Å; N134-S137 WeakPolarHBondContact OD1-CB 3.43Å; N134-S137 PolarHBondContact OD1-N 3.38Å; N134-S137 PolarHBondContact OD1-OG 2.91Å; S137-I139 VanDerWaalsContact C-N 3.31Å; S137-I139 PolarHBondContact O-N 2.9Å; S137-N140 WeakPolarHBondContact O-CB 3.41Å; S137-N140 PolarHBondContact O-N 2.77Å; S137-N140 VanDerWaalsContact O-N 3.14Å; S137-V141 WeakPolarHBondContact O-CG2 3.49Å; S137-V141 PolarHBondContact O-N 2.79Å; S137-N213 VanDerWaalsContact OG-CA 3.31Å; S137-N213 WeakPolarHBondContact OG-CA 3.33Å; S137-N213 PolarHBondContact OG-OD1 3.47Å
138	L	98.9	Very high	98.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-65.4	-34.5	175.6	-63	169.4	0	0	0	112.2	P94 I125 Q127 F133 N134 R135 A136 V141 G142 T306 L308	P94-L138 HydrophobicContact CB-CB 3.87Å; P94-L138 HydrophobicContact CB-CD1 3.94Å; I125-L138 HydrophobicContact CB-CB 4.26Å; I125-L138 HydrophobicContact CG2-CB 3.96Å; I125-L138 HydrophobicContact CG2-CD2 3.69Å; I125-L138 HydrophobicContact CG2-CG 4.4Å; Q127-L138 HydrophobicContact CB-CD1 3.85Å; Q127-L138 HydrophobicContact CB-CD2 3.69Å; Q127-L138 HydrophobicContact CB-CG 4.32Å; Q127-L138 HydrophobicContact CG-CD1 4.47Å; Q127-L138 HydrophobicContact CG-CD2 3.95Å; F133-L138 HydrophobicContact CD2-CD1 4.02Å; F133-L138 HydrophobicContact CE2-CD1 3.31Å; F133-L138 HydrophobicContact CZ-CD1 3.68Å; N134-L138 VanDerWaalsContact O-CG 3.28Å; N134-L138 WeakPolarHBondContact O-CG 3.44Å; N134-L138 PolarHBondContact O-N 2.86Å; N134-L138 VanDerWaalsContact O-N 3.13Å; R135-L138 PolarHBondContact O-N 2.84Å; A136-L138 VanDerWaalsContact C-N 3.31Å; A136-L138 PolarHBondContact O-N 3.42Å; L138-V141 PolarHBondContact O-N 3.41Å; L138-G142 PolarHBondContact O-N 2.99Å; L138-T306 HydrophobicContact CD2-CG2 4.27Å; L138-L308 HydrophobicContact CD2-CD1 4.11Å; L138-L308 HydrophobicContact CD2-CD2 4.49Å; L138-L308 HydrophobicContact CD2-CG 4.35Å; L138-L308 HydrophobicContact CG-CD1 4.32Å
139	I	98.9	Very high	98.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-64.3	-44.5	170.3	-60.1	-52.7	0	0	0	110.8	V92 P94 R135 A136 S137 V141 G142 F143 L153 M155 Y205 M211	V92-I139 HydrophobicContact CB-CD1 4.36Å; V92-I139 HydrophobicContact CG1-CD1 3.76Å; P94-I139 HydrophobicContact CB-CD1 4.26Å; P94-I139 HydrophobicContact CG-CD1 3.89Å; R135-I139 WeakPolarHBondContact O-CG1 3.45Å; R135-I139 PolarHBondContact O-N 3.04Å; A136-I139 PolarHBondContact O-N 3.27Å; S137-I139 VanDerWaalsContact C-N 3.31Å; S137-I139 PolarHBondContact O-N 2.9Å; I139-V141 VanDerWaalsContact C-N 3.26Å; I139-V141 PolarHBondContact O-N 2.82Å; I139-G142 PolarHBondContact O-N 2.76Å; I139-G142 VanDerWaalsContact O-N 3.16Å; I139-F143 PolarHBondContact O-N 3.2Å; I139-L153 HydrophobicContact CG2-CD1 4.04Å; I139-M155 HydrophobicContact CD1-CB 3.91Å; I139-M155 HydrophobicContact CD1-CG 4.28Å; I139-M155 HydrophobicContact CG1-CB 4.21Å; I139-M155 HydrophobicContact CG1-CG 4.27Å; I139-M155 HydrophobicContact CG1-SD 4.42Å; I139-M155 HydrophobicContact CG2-CB 4.34Å; I139-M155 HydrophobicContact CG2-CG 3.53Å; I139-M155 HydrophobicContact CG2-SD 3.62Å; I139-Y205 HydrophobicContact CG2-CE2 4.06Å; I139-Y205 VanDerWaalsContact CG2-OH 3.26Å; I139-Y205 WeakPolarHBondContact CG2-OH 3.31Å; I139-M211 HydrophobicContact CB-SD 4.03Å; I139-M211 HydrophobicContact CG1-SD 4.08Å; I139-M211 HydrophobicContact CG2-SD 4.25Å
140	N	98.9	Very high	98.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-58.3	-40.3	175.9	-73.6	-32.3	0	0	0	111.4	A136 S137 F143 K144 Y205 G210 M211 N213 L281 L284	A136-N140 PolarHBondContact O-N 3.22Å; S137-N140 WeakPolarHBondContact O-CB 3.41Å; S137-N140 PolarHBondContact O-N 2.77Å; S137-N140 VanDerWaalsContact O-N 3.14Å; N140-F143 WeakPolarHBondContact O-CB 3.19Å; N140-F143 PolarHBondContact O-N 2.9Å; N140-K144 PolarHBondContact O-N 2.83Å; N140-K144 VanDerWaalsContact O-N 3.1Å; N140-Y205 PolarHBondContact OD1-OH 2.87Å; N140-G210 WeakPolarHBondContact OD1-CA 3.44Å; N140-M211 PolarHBondContact ND2-O 3.48Å; N140-M211 PolarHBondContact OD1-N 3.38Å; N140-N213 PolarHBondContact ND2-OD1 3.28Å; N140-L281 HydrophobicContact CB-CD1 4.16Å; N140-L284 HydrophobicContact CB-CD1 4.2Å; N140-L284 HydrophobicContact CB-CD2 3.54Å; N140-L284 HydrophobicContact CB-CG 4.31Å
141	V	98.9	Very high	98.1	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.2	-51.6	173.6	171.2	0	0	0	0	110.1	I125 S137 L138 I139 F143 K144 E145 L284 Y286 T306 L308	I125-V141 HydrophobicContact CG2-CB 4.03Å; I125-V141 HydrophobicContact CG2-CG1 3.79Å; S137-V141 WeakPolarHBondContact O-CG2 3.49Å; S137-V141 PolarHBondContact O-N 2.79Å; L138-V141 PolarHBondContact O-N 3.41Å; I139-V141 VanDerWaalsContact C-N 3.26Å; I139-V141 PolarHBondContact O-N 2.82Å; V141-F143 PolarHBondContact O-N 2.77Å; V141-K144 PolarHBondContact O-N 3.16Å; V141-E145 HydrophobicContact CG1-CG 3.87Å; V141-E145 WeakPolarHBondContact O-CB 3.07Å; V141-E145 VanDerWaalsContact O-CG 3.31Å; V141-E145 WeakPolarHBondContact O-CG 3.36Å; V141-E145 PolarHBondContact O-N 2.87Å; V141-L284 HydrophobicContact CB-CD2 4.41Å; V141-L284 HydrophobicContact CG2-CD1 4.42Å; V141-L284 HydrophobicContact CG2-CD2 3.59Å; V141-L284 HydrophobicContact CG2-CG 4.4Å; V141-Y286 HydrophobicContact CB-CD2 4.37Å; V141-Y286 HydrophobicContact CB-CE2 4.36Å; V141-Y286 HydrophobicContact CG1-CD2 3.85Å; V141-Y286 HydrophobicContact CG1-CE2 3.65Å; V141-Y286 HydrophobicContact CG2-CD1 4.03Å; V141-Y286 HydrophobicContact CG2-CD2 3.62Å; V141-Y286 HydrophobicContact CG2-CE1 4.41Å; V141-Y286 HydrophobicContact CG2-CE2 4.02Å; V141-Y286 HydrophobicContact CG2-CG 3.62Å; V141-T306 HydrophobicContact CB-CG2 4.37Å; V141-T306 HydrophobicContact CG1-CG2 3.93Å; V141-T306 HydrophobicContact CG2-CG2 3.9Å; V141-L308 HydrophobicContact CG2-CD2 3.94Å
142	G	98.8	Very high	98.1	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59.6	-32.9	178.8	0	0	0	0	0	113.6	L138 I139 S146	L138-G142 PolarHBondContact O-N 2.99Å; I139-G142 PolarHBondContact O-N 2.76Å; I139-G142 VanDerWaalsContact O-N 3.16Å; G142-S146 VanDerWaalsContact O-CB 3.24Å; G142-S146 WeakPolarHBondContact O-CB 3.36Å; G142-S146 PolarHBondContact O-N 2.85Å
143	F	98.8	Very high	98.1	Very high	29 Å²	29	27.8 Å²	27.8	13%	0.127	15%	0.145	C	C	.	.	H	α-helix	trans	-60.8	-53.1	169.3	176.8	-82.4	0	0	0	111.4	I139 N140 V141 E145 S146 L153 K202 Y205 L281	I139-F143 PolarHBondContact O-N 3.2Å; N140-F143 WeakPolarHBondContact O-CB 3.19Å; N140-F143 PolarHBondContact O-N 2.9Å; V141-F143 PolarHBondContact O-N 2.77Å; F143-E145 VanDerWaalsContact C-N 3.3Å; F143-E145 PolarHBondContact O-N 3.14Å; F143-S146 PolarHBondContact O-N 3.44Å; F143-S146 PolarHBondContact O-OG 3.05Å; F143-L153 HydrophobicContact CD2-CD1 4.46Å; F143-L153 HydrophobicContact CD2-CD2 3.96Å; F143-L153 HydrophobicContact CE2-CD2 4.4Å; F143-K202 HydrophobicContact CD2-CG 4.35Å; F143-K202 HydrophobicContact CE2-CB 3.81Å; F143-K202 HydrophobicContact CE2-CD 4.24Å; F143-K202 HydrophobicContact CE2-CG 3.69Å; F143-K202 HydrophobicContact CZ-CB 4.22Å; F143-K202 HydrophobicContact CZ-CD 4.48Å; F143-K202 HydrophobicContact CZ-CG 4.31Å; F143-Y205 HydrophobicContact CB-CD1 4.19Å; F143-Y205 HydrophobicContact CB-CE1 3.85Å; F143-Y205 HydrophobicContact CD1-CD1 4.4Å; F143-Y205 AromaticContact CD2-CD1 3.25Å; F143-Y205 HydrophobicContact CD2-CD1 3.25Å; F143-Y205 AromaticContact CD2-CE1 3.83Å; F143-Y205 HydrophobicContact CD2-CE1 3.83Å; F143-Y205 AromaticContact CD2-CG 3.86Å; F143-Y205 HydrophobicContact CD2-CG 3.86Å; F143-Y205 AromaticContact CE2-CD1 3.61Å; F143-Y205 HydrophobicContact CE2-CD1 3.61Å; F143-Y205 HydrophobicContact CE2-CG 4.09Å; F143-Y205 AromaticContact CG-CD1 3.69Å; F143-Y205 HydrophobicContact CG-CD1 3.69Å; F143-Y205 AromaticContact CG-CE1 3.84Å; F143-Y205 HydrophobicContact CG-CE1 3.84Å; F143-Y205 HydrophobicContact CZ-CD1 4.35Å; F143-L281 HydrophobicContact CB-CD1 4.49Å; F143-L281 HydrophobicContact CD1-CD1 3.68Å; F143-L281 HydrophobicContact CD1-CD2 3.7Å; F143-L281 HydrophobicContact CD1-CG 4.33Å; F143-L281 HydrophobicContact CE1-CD1 4.32Å; F143-L281 HydrophobicContact CE1-CD2 3.53Å; F143-L281 HydrophobicContact CG-CD1 4.33Å; F143-L281 HydrophobicContact CG-CD2 4.47Å; F143-L281 HydrophobicContact CZ-CD2 4.13Å
144	K	98.6	Very high	98.2	Very high	83 Å²	83	24.9 Å²	24.9	36%	0.361	13%	0.132	S	C	.	.	H	α-helix	trans	-61.7	-38.2	-179.5	-73	-171.2	174.5	-176.5	0	112.1	N140 V141 L281 L284 Y286	N140-K144 PolarHBondContact O-N 2.83Å; N140-K144 VanDerWaalsContact O-N 3.1Å; V141-K144 PolarHBondContact O-N 3.16Å; K144-L281 HydrophobicContact CD-CD1 4.33Å; K144-L281 WeakPolarHBondContact CE-O 3.43Å; K144-L281 HydrophobicContact CG-CD1 3.79Å; K144-L281 PolarHBondContact NZ-O 3.19Å; K144-L281 VanDerWaalsContact NZ-O 3.11Å; K144-L284 HydrophobicContact CD-CD2 4.16Å; K144-Y286 HydrophobicContact CD-CE1 3.79Å
145	E	98.5	Very high	98.2	Very high	40 Å²	40	25 Å²	25	19%	0.187	13%	0.132	C	C	.	.	H	α-helix	trans	-85.3	-10.3	-176.9	-61.3	-60.5	141.7	0	0	113.9	V141 F143 G147 Y286 V288 R291 I304	V141-E145 HydrophobicContact CG1-CG 3.87Å; V141-E145 WeakPolarHBondContact O-CB 3.07Å; V141-E145 VanDerWaalsContact O-CG 3.31Å; V141-E145 WeakPolarHBondContact O-CG 3.36Å; V141-E145 PolarHBondContact O-N 2.87Å; F143-E145 VanDerWaalsContact C-N 3.3Å; F143-E145 PolarHBondContact O-N 3.14Å; E145-G147 PolarHBondContact O-N 2.6Å; E145-G147 VanDerWaalsContact O-N 3.12Å; E145-Y286 HydrophobicContact CG-CE2 4.39Å; E145-Y286 WeakPolarHBondContact OE1-CE2 3.47Å; E145-Y286 PolarHBondContact OE1-OH 2.9Å; E145-V288 HydrophobicContact CG-CG2 4.49Å; E145-R291 IonicContact OE1-NH2 2.72Å; E145-R291 IonicContact OE2-CZ 2.83Å; E145-R291 IonicContact OE2-NE 2.71Å; E145-R291 PolarHBondContact OE2-NE 3Å; E145-R291 IonicContact OE2-NH2 2.82Å; E145-R291 PolarHBondContact OE2-NH2 3.32Å; E145-I304 HydrophobicContact CB-CD1 3.58Å; E145-I304 HydrophobicContact CG-CD1 4.09Å; E145-I304 HydrophobicContact CG-CG2 4.47Å
146	S	97.5	Very high	98.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-17.7	-177.3	63.7	0	0	0	0	115	K121 G142 F143 T150 K202	K121-S146 PolarHBondContact NZ-O 2.87Å; G142-S146 VanDerWaalsContact O-CB 3.24Å; G142-S146 WeakPolarHBondContact O-CB 3.36Å; G142-S146 PolarHBondContact O-N 2.85Å; F143-S146 PolarHBondContact O-N 3.44Å; F143-S146 PolarHBondContact O-OG 3.05Å; S146-T150 WeakPolarHBondContact CB-OG1 3.27Å; S146-T150 PolarHBondContact O-OG1 2.96Å; S146-T150 PolarHBondContact OG-OG1 3.41Å; S146-K202 WeakPolarHBondContact OG-CE 3.39Å; S146-K202 PolarHBondContact OG-NZ 3.45Å
147	G	94.9	Very high	98.2	Very high	29 Å²	29	25.6 Å²	25.6	30%	0.299	14%	0.137	S	C	.	.			trans	74	161.4	-179.9	0	0	0	0	0	113.2	E145 D149 T150 K202	E145-G147 PolarHBondContact O-N 2.6Å; E145-G147 VanDerWaalsContact O-N 3.12Å; G147-D149 PolarHBondContact O-N 2.91Å; G147-T150 PolarHBondContact O-N 3.03Å; G147-T150 PolarHBondContact O-OG1 3.07Å; G147-K202 PolarHBondContact O-NZ 2.99Å
148	N	95.4	Very high	98.2	Very high	169 Å²	169	25.9 Å²	25.9	90%	0.904	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-5.8	-176.6	-66	-24.4	0	0	0	114.1	T150	N148-T150 PolarHBondContact O-N 3.12Å
149	D	95.1	Very high	98.2	Very high	75 Å²	75	26.6 Å²	26.6	40%	0.401	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-4.9	177.5	68.6	-58.7	0	0	0	113.7	K88 K121 G147	K88-D149 WeakPolarHBondContact CB-O 3.41Å; K88-D149 WeakPolarHBondContact CD-O 3.26Å; K88-D149 WeakPolarHBondContact CE-OD2 3.47Å; K88-D149 IonicContact NZ-OD2 2.75Å; K88-D149 PolarHBondContact NZ-OD2 3.46Å; K121-D149 WeakPolarHBondContact CE-OD2 3.41Å; K121-D149 IonicContact NZ-OD1 2.76Å; K121-D149 PolarHBondContact NZ-OD1 2.86Å; K121-D149 IonicContact NZ-OD2 3.03Å; K121-D149 PolarHBondContact NZ-OD2 3.01Å; K121-D149 VanDerWaalsContact NZ-OD2 3.14Å; G147-D149 PolarHBondContact O-N 2.91Å
150	T	97.9	Very high	98.2	Very high	4 Å²	4	26.6 Å²	26.6	3%	0.025	14%	0.143	C	C	.	.			trans	-112.8	140.7	178.8	53.5	0	0	0	0	111.2	K88 A90 S146 G147 N148 K202	K88-T150 HydrophobicContact CD-CG2 4.22Å; K88-T150 HydrophobicContact CG-CG2 4.14Å; K88-T150 WeakPolarHBondContact O-CA 3.31Å; A90-T150 HydrophobicContact CB-CG2 4.05Å; S146-T150 WeakPolarHBondContact CB-OG1 3.27Å; S146-T150 PolarHBondContact O-OG1 2.96Å; S146-T150 PolarHBondContact OG-OG1 3.41Å; G147-T150 PolarHBondContact O-N 3.03Å; G147-T150 PolarHBondContact O-OG1 3.07Å; N148-T150 PolarHBondContact O-N 3.12Å; T150-K202 VanDerWaalsContact O-CD 3.27Å; T150-K202 WeakPolarHBondContact O-CD 3.43Å; T150-K202 WeakPolarHBondContact O-CE 3.4Å; T150-K202 PolarHBondContact O-NZ 3.33Å; T150-K202 VanDerWaalsContact OG1-CE 3.23Å; T150-K202 WeakPolarHBondContact OG1-CE 3.4Å; T150-K202 PolarHBondContact OG1-NZ 3.28Å
151	D	98.4	Very high	98.2	Very high	63 Å²	63	26.7 Å²	26.7	34%	0.337	14%	0.143	S	C	.	.			trans	-102.4	-26.7	-172.8	-54.9	-78.7	0	0	0	113.3	H87 K88 F171 K202	H87-D151 VanDerWaalsContact CA-OD2 3.22Å; H87-D151 WeakPolarHBondContact CA-OD2 3.46Å; K88-D151 PolarHBondContact N-OD2 3.28Å; K88-D151 PolarHBondContact O-N 2.91Å; D151-F171 HydrophobicContact CB-CD2 4.3Å; D151-F171 HydrophobicContact CB-CE2 3.92Å; D151-K202 PolarHBondContact O-N 2.9Å
152	Y	98.9	Very high	98.1	Very high	4 Å²	4	26.7 Å²	26.7	2%	0.016	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	159.6	-175.2	76.1	-68.4	0	0	0	110.4	H87 K88 L89 A90 I118 Y169 G170 F171 P172 L199 L200	H87-Y152 HydrophobicContact CB-CD1 4.43Å; H87-Y152 HydrophobicContact CB-CE1 4.17Å; K88-Y152 WeakPolarHBondContact O-CD1 3.45Å; L89-Y152 HydrophobicContact CB-CD1 4.33Å; L89-Y152 HydrophobicContact CB-CE1 3.64Å; L89-Y152 HydrophobicContact CB-CE2 4.17Å; L89-Y152 HydrophobicContact CD1-CD2 3.75Å; L89-Y152 HydrophobicContact CD1-CE1 4.36Å; L89-Y152 HydrophobicContact CD1-CE2 3.55Å; L89-Y152 HydrophobicContact CD1-CG 4.27Å; L89-Y152 HydrophobicContact CG-CE2 4.28Å; A90-Y152 PolarHBondContact N-O 3.15Å; I118-Y152 WeakPolarHBondContact CG2-OH 3.47Å; Y152-Y169 WeakPolarHBondContact CE2-O 3.47Å; Y152-Y169 PolarHBondContact OH-O 2.89Å; Y152-G170 VanDerWaalsContact CE2-O 3.3Å; Y152-G170 WeakPolarHBondContact CE2-O 3.43Å; Y152-F171 AromaticContact CD1-CD2 3.75Å; Y152-F171 HydrophobicContact CD1-CD2 3.75Å; Y152-F171 HydrophobicContact CE1-CD2 4.41Å; Y152-F171 AromaticContact CG-CD2 3.87Å; Y152-F171 HydrophobicContact CG-CD2 3.87Å; Y152-P172 HydrophobicContact CD2-CG 4.21Å; Y152-L199 HydrophobicContact CE2-CD2 4.07Å; Y152-L200 CarbonylContact C-O 3.57Å; Y152-L200 WeakPolarHBondContact CA-O 3.49Å; Y152-L200 VanDerWaalsContact CB-O 3.26Å; Y152-L200 WeakPolarHBondContact CB-O 3.24Å
153	L	98.5	Very high	98.1	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	151	179.1	67.9	155.5	0	0	0	111.5	A90 V92 I139 F143 M155 L199 L200 Y205	A90-L153 HydrophobicContact CB-CB 4.3Å; A90-L153 CarbonylContact O-C 3.52Å; A90-L153 VanDerWaalsContact O-CA 3.22Å; A90-L153 WeakPolarHBondContact O-CA 3.17Å; V92-L153 HydrophobicContact CG2-CB 4.39Å; I139-L153 HydrophobicContact CG2-CD1 4.04Å; F143-L153 HydrophobicContact CD2-CD1 4.46Å; F143-L153 HydrophobicContact CD2-CD2 3.96Å; F143-L153 HydrophobicContact CE2-CD2 4.4Å; L153-M155 HydrophobicContact CD1-CG 4Å; L153-L199 CarbonylContact O-C 3.5Å; L153-L199 VanDerWaalsContact O-CA 3.26Å; L153-L199 WeakPolarHBondContact O-CA 3.49Å; L153-L200 HydrophobicContact CD2-CB 4.25Å; L153-L200 WeakPolarHBondContact CD2-O 3.42Å; L153-L200 PolarHBondContact N-O 3.48Å; L153-L200 PolarHBondContact O-N 3.44Å; L153-Y205 HydrophobicContact CD1-CD2 3.97Å; L153-Y205 HydrophobicContact CD1-CE2 4.01Å; L153-Y205 HydrophobicContact CD1-CG 4.37Å; L153-Y205 HydrophobicContact CD2-CD2 4.1Å; L153-Y205 HydrophobicContact CD2-CG 3.97Å
154	A	98.9	Very high	98.1	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	116	163.2	0	0	0	0	0	107.4	L89 A90 L91 V92 H156 L199	L89-A154 HydrophobicContact CD1-CB 3.72Å; L89-A154 HydrophobicContact CD2-CB 4.41Å; A90-A154 PolarHBondContact O-N 3.11Å; L91-A154 HydrophobicContact CD1-CB 3.73Å; V92-A154 PolarHBondContact N-O 3.34Å; A154-H156 PolarHBondContact O-N 3.36Å; A154-L199 HydrophobicContact CB-CD1 3.61Å; A154-L199 HydrophobicContact CB-CG 3.8Å
155	M	98.9	Very high	98.1	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	114.7	168.7	-48.8	-178.9	-65.4	0	0	106.4	I139 L153 I197 L198 L200 Y205 M211 F225	I139-M155 HydrophobicContact CD1-CB 3.91Å; I139-M155 HydrophobicContact CD1-CG 4.28Å; I139-M155 HydrophobicContact CG1-CB 4.21Å; I139-M155 HydrophobicContact CG1-CG 4.27Å; I139-M155 HydrophobicContact CG1-SD 4.42Å; I139-M155 HydrophobicContact CG2-CB 4.34Å; I139-M155 HydrophobicContact CG2-CG 3.53Å; I139-M155 HydrophobicContact CG2-SD 3.62Å; L153-M155 HydrophobicContact CD1-CG 4Å; M155-I197 VanDerWaalsContact O-CA 3.3Å; M155-I197 WeakPolarHBondContact O-CA 3.25Å; M155-L198 HydrophobicContact CE-CB 3.47Å; M155-L198 VanDerWaalsContact CE-CB 3.47Å; M155-L198 HydrophobicContact CE-CD2 3.27Å; M155-L198 HydrophobicContact CE-CG 3.4Å; M155-L198 PolarHBondContact N-O 3.02Å; M155-L198 PolarHBondContact O-N 2.84Å; M155-L198 VanDerWaalsContact O-N 3.14Å; M155-L200 HydrophobicContact CE-CD1 3.68Å; M155-L200 HydrophobicContact SD-CD1 4.31Å; M155-Y205 HydrophobicContact SD-CE2 3.93Å; M155-M211 HydrophobicContact SD-CG 4.49Å; M155-M211 HydrophobicContact SD-SD 3.72Å; M155-F225 HydrophobicContact CE-CD1 4.06Å; M155-F225 HydrophobicContact CE-CE1 3.74Å; M155-F225 HydrophobicContact SD-CE1 4.22Å
156	H	98.9	Very high	98	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	119.1	-164	-156.3	-58.8	0	0	0	112.3	L91 V92 P94 F105 M109 A154 L160 Y169	L91-H156 HydrophobicContact CD1-CB 3.76Å; L91-H156 HydrophobicContact CG-CB 4.48Å; V92-H156 PolarHBondContact O-N 3.44Å; P94-H156 WeakPolarHBondContact CD-O 3.38Å; F105-H156 AromaticContact CE2-CE1 3.45Å; F105-H156 VanDerWaalsContact CE2-CE1 3.45Å; F105-H156 WeakPolarHBondContact CE2-CE1 3.39Å; F105-H156 AromaticContact CE2-ND1 3.31Å; F105-H156 VanDerWaalsContact CE2-ND1 3.31Å; F105-H156 WeakPolarHBondContact CE2-ND1 3.47Å; F105-H156 HydrophobicContact CZ-CB 4.46Å; F105-H156 AromaticContact CZ-CE1 3.93Å; F105-H156 AromaticContact CZ-CG 3.99Å; F105-H156 AromaticContact CZ-ND1 3.57Å; M109-H156 WeakPolarHBondContact CE-NE2 3.44Å; A154-H156 PolarHBondContact O-N 3.36Å; H156-L160 PolarHBondContact CE1-O 2.85Å; H156-Y169 AromaticContact CD2-CE1 3.95Å; H156-Y169 AromaticContact NE2-CE1 3.94Å; H156-Y169 PolarHBondContact NE2-OH 3.2Å
157	D	98.9	Very high	98.1	Very high	38 Å²	38	33.2 Å²	33.2	20%	0.203	19%	0.191	C	C	.	.			trans	-67.9	135.8	173.8	-65.9	-4.9	0	0	0	109.9	R135 D159 L160 G196	R135-D157 IonicContact CZ-OD1 3.44Å; R135-D157 IonicContact NE-OD1 3.35Å; R135-D157 PolarHBondContact NE-OD1 3.11Å; R135-D157 IonicContact NH2-OD1 2.7Å; R135-D157 PolarHBondContact NH2-OD1 2.83Å; D157-D159 PolarHBondContact O-N 3.19Å; D157-L160 HydrophobicContact CB-CB 4.38Å; D157-L160 PolarHBondContact O-N 3.39Å; D157-G196 PolarHBondContact N-O 3.23Å; D157-G196 WeakPolarHBondContact OD2-CA 3.25Å
158	V	98.9	Very high	98.3	Very high	9 Å²	9	35.7 Å²	35.7	6%	0.055	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-20.1	-175.3	70.8	0	0	0	0	113.2	V93 F95 R98 E101 L102 F105	V93-V158 HydrophobicContact CG1-CB 3.63Å; V93-V158 HydrophobicContact CG1-CG2 3.97Å; F95-V158 HydrophobicContact CD2-CG2 4.33Å; F95-V158 HydrophobicContact CE2-CG2 4.43Å; R98-V158 HydrophobicContact CB-CG1 3.72Å; R98-V158 HydrophobicContact CG-CG1 3.97Å; E101-V158 HydrophobicContact CB-CG1 4.24Å; E101-V158 HydrophobicContact CB-CG2 4.33Å; L102-V158 HydrophobicContact CB-CG2 4.34Å; L102-V158 HydrophobicContact CD1-CG2 4.1Å; F105-V158 HydrophobicContact CB-CG2 3.89Å; F105-V158 HydrophobicContact CD1-CG2 4.34Å; F105-V158 HydrophobicContact CD2-CG2 4.26Å; F105-V158 WeakPolarHBondContact CD2-O 3.43Å; F105-V158 HydrophobicContact CG-CG2 3.91Å
159	D	98.6	Very high	98.4	Very high	15 Å²	15	27.6 Å²	27.6	8%	0.08	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	0.6	-175.1	63.6	2.5	0	0	0	113.7	E101 D157 H251 I252 H253	E101-D159 HydrophobicContact CG-CB 4.16Å; D157-D159 PolarHBondContact O-N 3.19Å; D159-H251 VanDerWaalsContact CG-NE2 3.32Å; D159-H251 CarbonylContact O-C 3.52Å; D159-H251 WeakPolarHBondContact O-CA 3.38Å; D159-H251 PolarHBondContact O-CD2 3.47Å; D159-H251 IonicContact OD1-CD2 2.71Å; D159-H251 IonicContact OD1-NE2 3.77Å; D159-H251 PolarHBondContact OD1-NE2 3Å; D159-H251 IonicContact OD2-CD2 3.39Å; D159-H251 IonicContact OD2-NE2 3.54Å; D159-H251 PolarHBondContact OD2-NE2 3.01Å; D159-H251 VanDerWaalsContact OD2-NE2 3.15Å; D159-I252 WeakPolarHBondContact CB-O 3.21Å; D159-I252 PolarHBondContact O-N 2.99Å; D159-H253 IonicContact OD2-CE1 2.67Å; D159-H253 IonicContact OD2-CG 3.53Å; D159-H253 IonicContact OD2-ND1 2.73Å; D159-H253 PolarHBondContact OD2-ND1 3.01Å
160	L	98.9	Very high	98.6	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	96.6	-173.1	-167.2	68.5	0	0	0	111.8	H156 D157 A180 I197 F249 H251	H156-L160 PolarHBondContact CE1-O 2.85Å; D157-L160 HydrophobicContact CB-CB 4.38Å; D157-L160 PolarHBondContact O-N 3.39Å; L160-A180 HydrophobicContact CD2-CB 3.97Å; L160-I197 HydrophobicContact CB-CD1 4.46Å; L160-I197 HydrophobicContact CD2-CD1 3.8Å; L160-I197 HydrophobicContact CD2-CG1 4.05Å; L160-I197 HydrophobicContact CG-CD1 4.07Å; L160-F249 HydrophobicContact CD1-CB 3.61Å; L160-F249 HydrophobicContact CD1-CG 4.09Å; L160-F249 HydrophobicContact CG-CB 4.11Å; L160-F249 HydrophobicContact CG-CD1 4.1Å; L160-F249 HydrophobicContact CG-CG 4.16Å; L160-H251 HydrophobicContact CD1-CB 3.93Å
161	L	98.9	Very high	98.6	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	128	-174.4	-54.1	-178.7	0	0	0	112.4	V104 F105 F108 L163 F249 L250 I252	V104-L161 HydrophobicContact CG1-CD1 3.76Å; F105-L161 HydrophobicContact CB-CD2 4.36Å; F105-L161 HydrophobicContact CD2-CD2 3.6Å; F105-L161 HydrophobicContact CE2-CD2 4.35Å; F105-L161 HydrophobicContact CG-CD2 4.38Å; F108-L161 HydrophobicContact CB-CD1 4.43Å; F108-L161 HydrophobicContact CB-CD2 4.48Å; F108-L161 HydrophobicContact CD1-CB 4.04Å; F108-L161 HydrophobicContact CD1-CD1 4.33Å; F108-L161 HydrophobicContact CD1-CD2 3.97Å; F108-L161 HydrophobicContact CD1-CG 4.34Å; F108-L161 HydrophobicContact CD2-CD1 4.12Å; F108-L161 HydrophobicContact CE1-CB 3.83Å; F108-L161 HydrophobicContact CG-CD1 4.03Å; F108-L161 HydrophobicContact CG-CD2 4.28Å; F108-L161 HydrophobicContact CZ-CB 4.08Å; L161-L163 PolarHBondContact O-N 3.07Å; L161-F249 CarbonylContact O-C 3.57Å; L161-F249 WeakPolarHBondContact O-CA 3.39Å; L161-L250 HydrophobicContact CB-CB 4.32Å; L161-L250 HydrophobicContact CD1-CD2 4.37Å; L161-L250 PolarHBondContact N-O 3.29Å; L161-L250 PolarHBondContact O-N 3.14Å; L161-I252 HydrophobicContact CD1-CD1 3.71Å; L161-I252 HydrophobicContact CG-CD1 4.32Å
162	P	98.8	Very high	98.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	113.6	176.3	29.7	-35.2	0	0	0	111.6	F108 M109 F112 L167 Y169 F249	F108-P162 HydrophobicContact CE1-CG 4.07Å; F108-P162 WeakPolarHBondContact CE1-O 3.4Å; F108-P162 WeakPolarHBondContact CZ-O 3.42Å; M109-P162 HydrophobicContact CE-CG 4.16Å; M109-P162 WeakPolarHBondContact SD-CD 3.23Å; M109-P162 HydrophobicContact SD-CG 3.75Å; F112-P162 HydrophobicContact CD1-CG 3.96Å; F112-P162 HydrophobicContact CD2-CG 4.17Å; F112-P162 HydrophobicContact CE1-CB 4.24Å; F112-P162 HydrophobicContact CE1-CG 3.82Å; F112-P162 HydrophobicContact CE2-CB 4.05Å; F112-P162 HydrophobicContact CE2-CG 4.03Å; F112-P162 HydrophobicContact CG-CG 4.15Å; F112-P162 HydrophobicContact CZ-CB 3.83Å; F112-P162 HydrophobicContact CZ-CG 3.86Å; P162-L167 HydrophobicContact CB-CD1 3.62Å; P162-Y169 HydrophobicContact CB-CE2 4.19Å; P162-Y169 HydrophobicContact CG-CE2 4.25Å; P162-Y169 WeakPolarHBondContact CG-OH 3.41Å; P162-F249 HydrophobicContact CB-CD1 4.31Å; P162-F249 HydrophobicContact CB-CE1 4.14Å
163	L	98.6	Very high	98.6	Very high	90 Å²	90	32.4 Å²	32.4	47%	0.471	18%	0.175	S	C	.	.			trans	-89.6	-20.8	178.1	-59.9	-176.9	0	0	0	113.1	F108 L161 T248 L250	F108-L163 HydrophobicContact CE2-CD2 4.32Å; F108-L163 HydrophobicContact CZ-CD2 4.14Å; L161-L163 PolarHBondContact O-N 3.07Å; L163-T248 PolarHBondContact N-O 3.2Å; L163-L250 HydrophobicContact CD1-CB 4.04Å; L163-L250 HydrophobicContact CD2-CB 4.08Å; L163-L250 HydrophobicContact CG-CB 4.14Å
164	N	98.4	Very high	98.6	Very high	30 Å²	30	39 Å²	39	16%	0.16	21%	0.205	C	C	.	.			trans	-97.6	116.9	-179	-167.8	-29.4	0	0	0	111.3	A166 L167 T244 T248	N164-A166 PolarHBondContact O-N 3.42Å; N164-A166 VanDerWaalsContact OD1-CB 3.23Å; N164-A166 WeakPolarHBondContact OD1-CB 3.29Å; N164-A166 PolarHBondContact OD1-N 2.98Å; N164-L167 HydrophobicContact CB-CG 4.34Å; N164-L167 WeakPolarHBondContact O-CB 3.35Å; N164-L167 WeakPolarHBondContact O-CG 3.49Å; N164-L167 PolarHBondContact O-N 3.38Å; N164-T244 HydrophobicContact CB-CG2 4.45Å; N164-T244 WeakPolarHBondContact ND2-CG2 3.34Å; N164-T244 PolarHBondContact ND2-OG1 3.14Å; N164-T248 HydrophobicContact CB-CG2 4.15Å
165	E	97.5	Very high	98.6	Very high	101 Å²	101	39.1 Å²	39.1	47%	0.472	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-18.4	-178.5	-60.5	-174.7	175.3	0	0	113.7	F112 K115 K116 L167	F112-E165 HydrophobicContact CE2-CG 4.49Å; K115-E165 WeakPolarHBondContact CD-OE1 3.26Å; K115-E165 WeakPolarHBondContact CE-OE1 3.44Å; K115-E165 WeakPolarHBondContact CE-OE2 3.4Å; K115-E165 IonicContact NZ-OE1 3.83Å; K115-E165 PolarHBondContact NZ-OE1 2.79Å; K115-E165 IonicContact NZ-OE2 3.69Å; K115-E165 PolarHBondContact NZ-OE2 3.25Å; K116-E165 PolarHBondContact NZ-O 3.25Å; E165-L167 PolarHBondContact O-N 2.88Å
166	A	98.2	Very high	98.5	Very high	69 Å²	69	39 Å²	39	57%	0.57	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	-10.6	175.9	0	0	0	0	0	113.4	N164 D168 I242	N164-A166 PolarHBondContact O-N 3.42Å; N164-A166 VanDerWaalsContact OD1-CB 3.23Å; N164-A166 WeakPolarHBondContact OD1-CB 3.29Å; N164-A166 PolarHBondContact OD1-N 2.98Å; A166-D168 PolarHBondContact O-N 2.91Å; A166-I242 HydrophobicContact CB-CD1 3.76Å
167	L	98.7	Very high	98.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	-63.8	126.9	173.2	-67.4	171.9	0	0	0	110.2	K116 P162 N164 E165 Y169 V179 L184 P239 I242 T248 F249	K116-L167 WeakPolarHBondContact CE-O 3.27Å; K116-L167 PolarHBondContact NZ-O 3.42Å; P162-L167 HydrophobicContact CB-CD1 3.62Å; N164-L167 HydrophobicContact CB-CG 4.34Å; N164-L167 WeakPolarHBondContact O-CB 3.35Å; N164-L167 WeakPolarHBondContact O-CG 3.49Å; N164-L167 PolarHBondContact O-N 3.38Å; E165-L167 PolarHBondContact O-N 2.88Å; L167-Y169 HydrophobicContact CB-CD2 4.37Å; L167-Y169 HydrophobicContact CB-CE2 4.1Å; L167-V179 HydrophobicContact CB-CG1 4.22Å; L167-V179 HydrophobicContact CD1-CG1 4.06Å; L167-V179 HydrophobicContact CD2-CG1 4.17Å; L167-V179 HydrophobicContact CG-CG1 4.39Å; L167-L184 HydrophobicContact CD2-CD1 4.15Å; L167-P239 HydrophobicContact CD2-CB 4.15Å; L167-P239 HydrophobicContact CD2-CG 3.77Å; L167-I242 HydrophobicContact CD2-CD1 4.41Å; L167-I242 HydrophobicContact CD2-CG1 4.35Å; L167-T248 HydrophobicContact CD1-CG2 3.82Å; L167-T248 HydrophobicContact CD2-CG2 4.02Å; L167-T248 HydrophobicContact CG-CG2 4.22Å; L167-F249 HydrophobicContact CD1-CD1 4.47Å; L167-F249 HydrophobicContact CD1-CE1 3.59Å; L167-F249 HydrophobicContact CD1-CZ 3.72Å; L167-F249 HydrophobicContact CD2-CZ 4.36Å
168	D	98.5	Very high	98.5	Very high	80 Å²	80	38.6 Å²	38.6	43%	0.428	20%	0.202	S	C	.	.			trans	-80.4	126	179.7	-169	11.7	0	0	0	111.2	A166 G170 F177 V179	A166-D168 PolarHBondContact O-N 2.91Å; D168-G170 WeakPolarHBondContact OD1-CA 3.3Å; D168-G170 PolarHBondContact OD1-N 3.09Å; D168-F177 HydrophobicContact CB-CE1 3.91Å; D168-F177 HydrophobicContact CB-CZ 3.88Å; D168-F177 WeakPolarHBondContact O-CE1 3.47Å; D168-V179 WeakPolarHBondContact O-CG2 3.37Å
169	Y	98.8	Very high	98.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.2	C	C	.	.			trans	-121	7.5	173.7	-84.3	-106.5	0	0	0	111.5	M109 F112 L113 I118 Y152 H156 P162 L167 V179 I197 L199	M109-Y169 HydrophobicContact CE-CE1 3.92Å; F112-Y169 AromaticContact CE1-CD2 3.64Å; F112-Y169 HydrophobicContact CE1-CD2 3.64Å; F112-Y169 AromaticContact CE1-CE2 3.63Å; F112-Y169 HydrophobicContact CE1-CE2 3.63Å; F112-Y169 HydrophobicContact CE1-CG 4.27Å; F112-Y169 HydrophobicContact CZ-CD2 4.28Å; F112-Y169 HydrophobicContact CZ-CE2 4.12Å; L113-Y169 HydrophobicContact CD2-CD1 3.92Å; L113-Y169 HydrophobicContact CD2-CG 4.09Å; I118-Y169 VanDerWaalsContact CD1-CB 3.47Å; Y152-Y169 WeakPolarHBondContact CE2-O 3.47Å; Y152-Y169 PolarHBondContact OH-O 2.89Å; H156-Y169 AromaticContact CD2-CE1 3.95Å; H156-Y169 AromaticContact NE2-CE1 3.94Å; H156-Y169 PolarHBondContact NE2-OH 3.2Å; P162-Y169 HydrophobicContact CB-CE2 4.19Å; P162-Y169 HydrophobicContact CG-CE2 4.25Å; P162-Y169 WeakPolarHBondContact CG-OH 3.41Å; L167-Y169 HydrophobicContact CB-CD2 4.37Å; L167-Y169 HydrophobicContact CB-CE2 4.1Å; Y169-V179 HydrophobicContact CD2-CG2 4.48Å; Y169-V179 HydrophobicContact CE2-CG1 3.68Å; Y169-V179 HydrophobicContact CE2-CG2 4.26Å; Y169-I197 HydrophobicContact CE1-CG2 4.09Å; Y169-L199 HydrophobicContact CD1-CD1 4.42Å; Y169-L199 HydrophobicContact CD1-CD2 4.36Å; Y169-L199 HydrophobicContact CG-CD2 4.48Å
170	G	98.6	Very high	98.6	Very high	20 Å²	20	37.4 Å²	37.4	21%	0.206	20%	0.196	C	C	.	.	S	Bend	trans	-67	178.9	178.4	0	0	0	0	0	112.6	Y152 D168 P172	Y152-G170 VanDerWaalsContact CE2-O 3.3Å; Y152-G170 WeakPolarHBondContact CE2-O 3.43Å; D168-G170 WeakPolarHBondContact OD1-CA 3.3Å; D168-G170 PolarHBondContact OD1-N 3.09Å; G170-P172 VanDerWaalsContact O-CD 3.3Å; G170-P172 WeakPolarHBondContact O-CD 3.4Å
171	F	98.8	Very high	98.5	Very high	65 Å²	65	37.5 Å²	37.5	29%	0.285	20%	0.196	S	C	.	.			trans	-65.6	117.2	-178	-178.4	-102.9	0	0	0	111.1	H87 D151 Y152 K173 T201	H87-F171 HydrophobicContact CB-CB 3.91Å; H87-F171 HydrophobicContact CB-CD2 3.98Å; H87-F171 HydrophobicContact CB-CG 4.15Å; H87-F171 WeakPolarHBondContact CD2-CB 3.48Å; H87-F171 AromaticContact CD2-CD1 3.81Å; H87-F171 AromaticContact CD2-CG 3.48Å; H87-F171 VanDerWaalsContact CD2-CG 3.48Å; H87-F171 WeakPolarHBondContact CD2-CG 3.44Å; H87-F171 AromaticContact CE1-CD1 3.87Å; H87-F171 AromaticContact CE1-CE1 3.95Å; H87-F171 AromaticContact CE1-CG 3.96Å; H87-F171 AromaticContact CG-CD2 3.63Å; H87-F171 AromaticContact CG-CG 3.56Å; H87-F171 AromaticContact ND1-CD2 3.7Å; H87-F171 AromaticContact ND1-CE2 3.91Å; H87-F171 AromaticContact ND1-CG 3.88Å; H87-F171 AromaticContact NE2-CD1 3.59Å; H87-F171 AromaticContact NE2-CG 3.75Å; D151-F171 HydrophobicContact CB-CD2 4.3Å; D151-F171 HydrophobicContact CB-CE2 3.92Å; Y152-F171 AromaticContact CD1-CD2 3.75Å; Y152-F171 HydrophobicContact CD1-CD2 3.75Å; Y152-F171 HydrophobicContact CE1-CD2 4.41Å; Y152-F171 AromaticContact CG-CD2 3.87Å; Y152-F171 HydrophobicContact CG-CD2 3.87Å; F171-K173 VanDerWaalsContact C-N 3.27Å; F171-K173 HydrophobicContact CD1-CB 3.95Å; F171-K173 HydrophobicContact CE1-CB 4Å; F171-K173 HydrophobicContact CE1-CG 4.37Å; F171-K173 PolarHBondContact O-N 2.94Å; F171-T201 HydrophobicContact CD2-CG2 4.4Å; F171-T201 HydrophobicContact CE1-CG2 3.99Å; F171-T201 HydrophobicContact CE2-CG2 3.67Å; F171-T201 HydrophobicContact CZ-CG2 3.43Å; F171-T201 VanDerWaalsContact CZ-CG2 3.43Å
172	P	98.6	Very high	98.5	Very high	11 Å²	11	37.7 Å²	37.7	7%	0.071	20%	0.198	C	C	.	.			trans	-84.2	68.4	-171.1	36.1	-38.5	0	0	0	111.3	Y152 G170 E174 G175 F177 L199 T201	Y152-P172 HydrophobicContact CD2-CG 4.21Å; G170-P172 VanDerWaalsContact O-CD 3.3Å; G170-P172 WeakPolarHBondContact O-CD 3.4Å; P172-E174 PolarHBondContact O-N 3.28Å; P172-G175 WeakPolarHBondContact CB-O 3.45Å; P172-G175 PolarHBondContact O-N 3.21Å; P172-F177 HydrophobicContact CB-CB 4Å; P172-L199 HydrophobicContact CG-CB 4.19Å; P172-T201 HydrophobicContact CG-CG2 4.1Å; P172-T201 WeakPolarHBondContact O-CG2 3.48Å
173	K	98	Very high	98.5	Very high	150 Å²	150	44.7 Å²	44.7	65%	0.652	23%	0.23	S	C	*	.			trans	-57.4	-45.4	-172.2	-175.8	-178.8	173.8	-172.6	0	113.4	F171 H204	F171-K173 VanDerWaalsContact C-N 3.27Å; F171-K173 HydrophobicContact CD1-CB 3.95Å; F171-K173 HydrophobicContact CE1-CB 4Å; F171-K173 HydrophobicContact CE1-CG 4.37Å; F171-K173 PolarHBondContact O-N 2.94Å; K173-H204 PolarHBondContact O-CE1 3.07Å
174	E	97.9	Very high	98.5	Very high	139 Å²	139	40.7 Å²	40.7	65%	0.65	21%	0.21	S	C	*	.	S	Bend	trans	-75.7	-25.1	-172.5	-58.3	-54.5	133.1	0	0	113.3	P172 F237	P172-E174 PolarHBondContact O-N 3.28Å; E174-F237 HydrophobicContact CB-CD2 4.5Å; E174-F237 HydrophobicContact CB-CE2 3.73Å; E174-F237 HydrophobicContact CB-CZ 3.74Å
175	G	98.4	Very high	98.5	Very high	2 Å²	2	39.4 Å²	39.4	2%	0.021	20%	0.203	C	C	.	.	S	Bend	trans	164.3	172.8	-177.6	0	0	0	0	0	112.3	P172 F177	P172-G175 WeakPolarHBondContact CB-O 3.45Å; P172-G175 PolarHBondContact O-N 3.21Å; G175-F177 PolarHBondContact O-N 3.33Å
176	P	98.8	Very high	98.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.192	C	C	.	.			trans	-50.2	131.8	176	-26.4	33.9	0	0	0	112.5	L198 L199 L200 L229 L234 Q235 L236 F237	P176-L198 HydrophobicContact CB-CD1 4.02Å; P176-L199 CarbonylContact C-O 3.52Å; P176-L199 VanDerWaalsContact CA-O 3.29Å; P176-L199 WeakPolarHBondContact CA-O 3.49Å; P176-L200 HydrophobicContact CB-CD2 4.1Å; P176-L200 HydrophobicContact CB-CG 3.94Å; P176-L200 HydrophobicContact CG-CD2 3.81Å; P176-L200 HydrophobicContact CG-CG 4.12Å; P176-L229 HydrophobicContact CB-CD1 4.09Å; P176-L229 HydrophobicContact CB-CD2 4.46Å; P176-L229 HydrophobicContact CG-CD1 4.2Å; P176-L229 HydrophobicContact CG-CD2 3.86Å; P176-L234 HydrophobicContact CG-CB 4.05Å; P176-L234 HydrophobicContact CG-CD1 4.04Å; P176-Q235 WeakPolarHBondContact CD-O 3.31Å; P176-L236 HydrophobicContact CB-CD1 4.03Å; P176-F237 PolarHBondContact O-N 2.98Å
177	F	98.9	Very high	98.4	Very high	28 Å²	28	37.1 Å²	37.1	12%	0.123	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	108.9	-177.7	-170.3	-92.2	0	0	0	111	D168 P172 G175 V179 L198 L199 F237 P239	D168-F177 HydrophobicContact CB-CE1 3.91Å; D168-F177 HydrophobicContact CB-CZ 3.88Å; D168-F177 WeakPolarHBondContact O-CE1 3.47Å; P172-F177 HydrophobicContact CB-CB 4Å; G175-F177 PolarHBondContact O-N 3.33Å; F177-V179 HydrophobicContact CD1-CG2 3.67Å; F177-V179 HydrophobicContact CE1-CG2 3.83Å; F177-V179 PolarHBondContact O-N 2.83Å; F177-L198 WeakPolarHBondContact O-CD1 3.42Å; F177-L199 HydrophobicContact CB-CB 4.32Å; F177-L199 PolarHBondContact N-O 3.18Å; F177-L199 PolarHBondContact O-N 2.84Å; F177-F237 HydrophobicContact CD2-CB 3.67Å; F177-F237 HydrophobicContact CE2-CB 4.27Å; F177-P239 HydrophobicContact CE1-CG 3.98Å; F177-P239 HydrophobicContact CZ-CB 4.4Å; F177-P239 HydrophobicContact CZ-CG 3.84Å
178	H	98.9	Very high	98.4	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	94.4	-178.6	-176.7	-134.9	0	0	0	110.9	A180 Y193 V194 G195 I197 L198 L236 F237 R238 P239	H178-A180 PolarHBondContact CE1-O 3.1Å; H178-A180 PolarHBondContact NE2-O 3.32Å; H178-Y193 AromaticContact CE1-CD1 3.62Å; H178-Y193 AromaticContact CE1-CE1 3.85Å; H178-Y193 PolarHBondContact CE1-O 3.16Å; H178-Y193 PolarHBondContact ND1-O 2.93Å; H178-Y193 AromaticContact NE2-CE1 3.97Å; H178-V194 WeakPolarHBondContact NE2-CA 3.46Å; H178-G195 PolarHBondContact NE2-O 3.17Å; H178-I197 PolarHBondContact CD2-O 2.89Å; H178-I197 VanDerWaalsContact CD2-O 3.28Å; H178-L198 HydrophobicContact CB-CD1 3.96Å; H178-L236 HydrophobicContact CB-CD1 4.02Å; H178-L236 HydrophobicContact CB-CG 4.45Å; H178-F237 PolarHBondContact N-O 3.27Å; H178-R238 HydrophobicContact CB-CG 3.94Å; H178-R238 PolarHBondContact ND1-NE 3.19Å; H178-P239 WeakPolarHBondContact O-CD 3.35Å
179	V	98.9	Very high	98.3	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	-64.2	-45.3	-179.1	176.3	0	0	0	0	110.8	L167 D168 Y169 F177 S181 I197 L199 F249	L167-V179 HydrophobicContact CB-CG1 4.22Å; L167-V179 HydrophobicContact CD1-CG1 4.06Å; L167-V179 HydrophobicContact CD2-CG1 4.17Å; L167-V179 HydrophobicContact CG-CG1 4.39Å; D168-V179 WeakPolarHBondContact O-CG2 3.37Å; Y169-V179 HydrophobicContact CD2-CG2 4.48Å; Y169-V179 HydrophobicContact CE2-CG1 3.68Å; Y169-V179 HydrophobicContact CE2-CG2 4.26Å; F177-V179 HydrophobicContact CD1-CG2 3.67Å; F177-V179 HydrophobicContact CE1-CG2 3.83Å; F177-V179 PolarHBondContact O-N 2.83Å; V179-S181 PolarHBondContact O-N 3.06Å; V179-I197 HydrophobicContact CB-CB 3.98Å; V179-I197 HydrophobicContact CB-CG2 3.71Å; V179-I197 HydrophobicContact CG1-CB 4.41Å; V179-I197 HydrophobicContact CG1-CG2 4.17Å; V179-I197 HydrophobicContact CG2-CG2 4.03Å; V179-I197 PolarHBondContact N-O 2.86Å; V179-L199 HydrophobicContact CG2-CD1 3.64Å; V179-F249 HydrophobicContact CG1-CE1 4.08Å; V179-F249 HydrophobicContact CG1-CZ 3.96Å; V179-F249 WeakPolarHBondContact O-CZ 3.36Å
180	A	98.7	Very high	98.3	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	-78.5	47.1	-179.6	0	0	0	0	0	112.7	L160 H178 Y193 I197 F249	L160-A180 HydrophobicContact CD2-CB 3.97Å; H178-A180 PolarHBondContact CE1-O 3.1Å; H178-A180 PolarHBondContact NE2-O 3.32Å; A180-Y193 VanDerWaalsContact O-CE1 3.27Å; A180-Y193 WeakPolarHBondContact O-CE1 3.07Å; A180-I197 HydrophobicContact CB-CB 3.99Å; A180-I197 HydrophobicContact CB-CD1 4.46Å; A180-I197 HydrophobicContact CB-CG1 4.34Å; A180-I197 PolarHBondContact N-O 2.86Å; A180-F249 HydrophobicContact CB-CZ 4.44Å
181	S	98.3	Very high	98.2	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.007	24%	0.239	C	C	.	.			trans	-46	145	-177.9	174.6	0	0	0	0	112.8	V179 E183 L184 H185	V179-S181 PolarHBondContact O-N 3.06Å; S181-E183 PolarHBondContact O-N 2.88Å; S181-E183 PolarHBondContact OG-N 2.67Å; S181-L184 CarbonylContact O-C 3.59Å; S181-L184 PolarHBondContact O-N 2.95Å; S181-H185 PolarHBondContact O-N 2.6Å
182	P	98.3	Very high	98.2	Very high	6 Å²	6	51.3 Å²	51.3	4%	0.039	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-25.1	177.1	-12.8	20.3	0	0	0	114.2	L184 Y188 H189 Y190 Y193	P182-L184 VanDerWaalsContact C-N 3.28Å; P182-Y188 VanDerWaalsContact CA-O 3.25Å; P182-Y188 WeakPolarHBondContact CA-O 3.39Å; P182-H189 PolarHBondContact O-ND1 3.12Å; P182-Y190 VanDerWaalsContact CG-O 3.28Å; P182-Y190 WeakPolarHBondContact CG-O 3.32Å; P182-Y193 HydrophobicContact CB-CD1 4.46Å; P182-Y193 HydrophobicContact CG-CD1 4.24Å
183	E	98.1	Very high	98.2	Very high	146 Å²	146	51 Å²	51	68%	0.682	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-18.1	176.4	-64.5	174.9	-168.3	0	0	113.1	S181	S181-E183 PolarHBondContact O-N 2.88Å; S181-E183 PolarHBondContact OG-N 2.67Å
184	L	98.6	Very high	98.2	Very high	7 Å²	7	44 Å²	44	4%	0.037	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.2	-26.5	-173	-55.4	177.4	0	0	0	112.5	L167 S181 P182 P239 I242 T248 F249	L167-L184 HydrophobicContact CD2-CD1 4.15Å; S181-L184 CarbonylContact O-C 3.59Å; S181-L184 PolarHBondContact O-N 2.95Å; P182-L184 VanDerWaalsContact C-N 3.28Å; L184-P239 HydrophobicContact CD1-CB 4.02Å; L184-P239 HydrophobicContact CD1-CG 4.07Å; L184-I242 HydrophobicContact CD1-CB 4.09Å; L184-I242 HydrophobicContact CD1-CG1 4.13Å; L184-I242 HydrophobicContact CD1-CG2 4.05Å; L184-I242 HydrophobicContact CD2-CB 3.9Å; L184-I242 HydrophobicContact CD2-CG2 3.62Å; L184-I242 HydrophobicContact CG-CG2 4.49Å; L184-T248 HydrophobicContact CB-CG2 4.22Å; L184-T248 HydrophobicContact CD1-CG2 4.24Å; L184-F249 HydrophobicContact CB-CD2 4.42Å; L184-F249 HydrophobicContact CB-CE2 3.79Å
185	H	98.6	Very high	98.2	Very high	3 Å²	3	37.4 Å²	37.4	1%	0.014	18%	0.178	C	C	.	.			trans	-67.1	136	-179.1	-166.5	-86.3	0	0	0	110.7	S181 L187 Y188 H189 Y193	S181-H185 PolarHBondContact O-N 2.6Å; H185-L187 VanDerWaalsContact C-N 3.26Å; H185-L187 PolarHBondContact ND1-N 3.18Å; H185-L187 VanDerWaalsContact ND1-N 3.14Å; H185-L187 PolarHBondContact O-N 3.31Å; H185-Y188 AromaticContact CE1-CD2 3.22Å; H185-Y188 WeakPolarHBondContact CE1-CD2 3.45Å; H185-Y188 AromaticContact CE1-CE2 3.7Å; H185-Y188 AromaticContact ND1-CD2 3.44Å; H185-Y188 WeakPolarHBondContact ND1-CD2 3.21Å; H185-Y188 AromaticContact ND1-CG 3.94Å; H185-Y188 PolarHBondContact ND1-N 3.08Å; H185-Y188 AromaticContact NE2-CD2 3.98Å; H185-H189 PolarHBondContact O-CE1 2.84Å; H185-H189 PolarHBondContact O-ND1 3.21Å; H185-Y193 HydrophobicContact CB-CE1 4.01Å; H185-Y193 AromaticContact CD2-CE1 3.94Å; H185-Y193 PolarHBondContact CD2-OH 2.89Å; H185-Y193 VanDerWaalsContact CD2-OH 3.26Å; H185-Y193 AromaticContact CG-CE1 3.83Å; H185-Y193 PolarHBondContact NE2-OH 2.81Å
186	P	97.5	Very high	98.2	Very high	37 Å²	37	37.4 Å²	37.4	24%	0.24	18%	0.177	C	C	.	.	S	Bend	trans	-69.8	-17.1	-175	24.4	-33.5	0	0	0	115	H251	P186-H251 HydrophobicContact CG-CB 3.8Å
187	L	97.6	Very high	98.2	Very high	84 Å²	84	37.4 Å²	37.4	44%	0.44	18%	0.177	S	C	.	.	S	Bend	trans	-126.1	-23.8	-172.2	-60.1	177.5	0	0	0	116.3	H185	H185-L187 VanDerWaalsContact C-N 3.26Å; H185-L187 PolarHBondContact ND1-N 3.18Å; H185-L187 VanDerWaalsContact ND1-N 3.14Å; H185-L187 PolarHBondContact O-N 3.31Å
188	Y	97.3	Very high	98.2	Very high	49 Å²	49	36 Å²	36	19%	0.192	17%	0.171	C	C	.	.			trans	-127.3	113.2	-164.9	-60	-58	0	0	0	109.3	P182 H185 Y193 W218 R260	P182-Y188 VanDerWaalsContact CA-O 3.25Å; P182-Y188 WeakPolarHBondContact CA-O 3.39Å; H185-Y188 AromaticContact CE1-CD2 3.22Å; H185-Y188 WeakPolarHBondContact CE1-CD2 3.45Å; H185-Y188 AromaticContact CE1-CE2 3.7Å; H185-Y188 AromaticContact ND1-CD2 3.44Å; H185-Y188 WeakPolarHBondContact ND1-CD2 3.21Å; H185-Y188 AromaticContact ND1-CG 3.94Å; H185-Y188 PolarHBondContact ND1-N 3.08Å; H185-Y188 AromaticContact NE2-CD2 3.98Å; Y188-Y193 HydrophobicContact CD2-CE1 4.45Å; Y188-Y193 AromaticContact CD2-CE2 3.76Å; Y188-Y193 HydrophobicContact CD2-CE2 3.76Å; Y188-Y193 AromaticContact CD2-CZ 3.71Å; Y188-Y193 HydrophobicContact CG-CD2 4.43Å; Y188-Y193 HydrophobicContact CG-CE2 4.06Å; Y188-W218 HydrophobicContact CE1-CH2 4.37Å; Y188-W218 HydrophobicContact CE1-CZ2 4.07Å; Y188-W218 AromaticContact CZ-CZ2 3.77Å; Y188-W218 WeakPolarHBondContact OH-CZ2 3.45Å; Y188-R260 PolarHBondContact OH-NE 3.49Å
189	H	98	Very high	98.2	Very high	91 Å²	91	36.1 Å²	36.1	42%	0.421	17%	0.172	S	C	.	.			trans	-121.5	7.2	-167.6	-51.1	-58.7	0	0	0	114.1	P182 H185 Y246	P182-H189 PolarHBondContact O-ND1 3.12Å; H185-H189 PolarHBondContact O-CE1 2.84Å; H185-H189 PolarHBondContact O-ND1 3.21Å; H189-Y246 AromaticContact CE1-CD1 3.92Å; H189-Y246 AromaticContact CE1-CE1 3.33Å; H189-Y246 WeakPolarHBondContact CE1-CE1 3.41Å; H189-Y246 AromaticContact CE1-CZ 3.52Å; H189-Y246 AromaticContact ND1-CE1 3.68Å; H189-Y246 AromaticContact ND1-CZ 3.98Å
190	Y	97.7	Very high	98.2	Very high	85 Å²	85	36.1 Å²	36.1	33%	0.333	17%	0.172	S	C	.	.			trans	-81.7	145.5	-178.2	66.9	-87.4	0	0	0	111.5	P182 T192 Y193 D223	P182-Y190 VanDerWaalsContact CG-O 3.28Å; P182-Y190 WeakPolarHBondContact CG-O 3.32Å; Y190-T192 VanDerWaalsContact C-N 3.29Å; Y190-T192 VanDerWaalsContact CD2-OG1 3.32Å; Y190-T192 WeakPolarHBondContact CD2-OG1 3.25Å; Y190-T192 WeakPolarHBondContact CE2-OG1 3.27Å; Y190-T192 PolarHBondContact O-N 2.86Å; Y190-T192 VanDerWaalsContact O-N 3.16Å; Y190-Y193 AromaticContact CE1-CD2 3.99Å; Y190-Y193 HydrophobicContact CE1-CD2 3.99Å; Y190-Y193 HydrophobicContact CE1-CG 4.15Å; Y190-Y193 VanDerWaalsContact CE2-CA 3.44Å; Y190-Y193 VanDerWaalsContact CZ-CB 3.48Å; Y190-Y193 AromaticContact CZ-CD2 3.84Å; Y190-Y193 VanDerWaalsContact O-CB 3.27Å; Y190-Y193 WeakPolarHBondContact O-CB 3.27Å; Y190-Y193 PolarHBondContact O-N 2.81Å; Y190-Y193 VanDerWaalsContact O-N 3.1Å; Y190-Y193 WeakPolarHBondContact OH-CD2 3.28Å; Y190-D223 VanDerWaalsContact CE2-OD1 3.32Å; Y190-D223 WeakPolarHBondContact CE2-OD1 3.14Å; Y190-D223 PolarHBondContact OH-OD1 3.4Å
191	K	97.1	Very high	98.2	Very high	185 Å²	185	36.5 Å²	36.5	80%	0.804	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-33.9	-166.5	-67.7	-175.1	178.1	-177.5	0	114.7	R238	K191-R238 PolarHBondContact O-NH1 3.15Å; K191-R238 PolarHBondContact O-NH2 2.96Å
192	T	97.7	Very high	98.3	Very high	54 Å²	54	38 Å²	38	33%	0.331	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	0.9	-176.4	56.9	0	0	0	0	113.7	Y190 V194 Y226	Y190-T192 VanDerWaalsContact C-N 3.29Å; Y190-T192 VanDerWaalsContact CD2-OG1 3.32Å; Y190-T192 WeakPolarHBondContact CD2-OG1 3.25Å; Y190-T192 WeakPolarHBondContact CE2-OG1 3.27Å; Y190-T192 PolarHBondContact O-N 2.86Å; Y190-T192 VanDerWaalsContact O-N 3.16Å; T192-V194 PolarHBondContact O-N 2.84Å; T192-Y226 HydrophobicContact CG2-CD1 4.08Å; T192-Y226 HydrophobicContact CG2-CE1 3.57Å
193	Y	98.5	Very high	98.3	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.016	21%	0.213	C	C	.	.			trans	-62.1	131.1	178.6	172.2	-116.8	0	0	0	111.4	H178 A180 P182 H185 Y188 Y190 G195 G196 R238	H178-Y193 AromaticContact CE1-CD1 3.62Å; H178-Y193 AromaticContact CE1-CE1 3.85Å; H178-Y193 PolarHBondContact CE1-O 3.16Å; H178-Y193 PolarHBondContact ND1-O 2.93Å; H178-Y193 AromaticContact NE2-CE1 3.97Å; A180-Y193 VanDerWaalsContact O-CE1 3.27Å; A180-Y193 WeakPolarHBondContact O-CE1 3.07Å; P182-Y193 HydrophobicContact CB-CD1 4.46Å; P182-Y193 HydrophobicContact CG-CD1 4.24Å; H185-Y193 HydrophobicContact CB-CE1 4.01Å; H185-Y193 AromaticContact CD2-CE1 3.94Å; H185-Y193 PolarHBondContact CD2-OH 2.89Å; H185-Y193 VanDerWaalsContact CD2-OH 3.26Å; H185-Y193 AromaticContact CG-CE1 3.83Å; H185-Y193 PolarHBondContact NE2-OH 2.81Å; Y188-Y193 HydrophobicContact CD2-CE1 4.45Å; Y188-Y193 AromaticContact CD2-CE2 3.76Å; Y188-Y193 HydrophobicContact CD2-CE2 3.76Å; Y188-Y193 AromaticContact CD2-CZ 3.71Å; Y188-Y193 HydrophobicContact CG-CD2 4.43Å; Y188-Y193 HydrophobicContact CG-CE2 4.06Å; Y190-Y193 AromaticContact CE1-CD2 3.99Å; Y190-Y193 HydrophobicContact CE1-CD2 3.99Å; Y190-Y193 HydrophobicContact CE1-CG 4.15Å; Y190-Y193 VanDerWaalsContact CE2-CA 3.44Å; Y190-Y193 VanDerWaalsContact CZ-CB 3.48Å; Y190-Y193 AromaticContact CZ-CD2 3.84Å; Y190-Y193 VanDerWaalsContact O-CB 3.27Å; Y190-Y193 WeakPolarHBondContact O-CB 3.27Å; Y190-Y193 PolarHBondContact O-N 2.81Å; Y190-Y193 VanDerWaalsContact O-N 3.1Å; Y190-Y193 WeakPolarHBondContact OH-CD2 3.28Å; Y193-G195 VanDerWaalsContact CE2-CA 3.42Å; Y193-G195 VanDerWaalsContact CE2-N 3.28Å; Y193-G195 PolarHBondContact OH-O 3.04Å; Y193-G196 PolarHBondContact OH-N 3.31Å; Y193-R238 PolarHBondContact O-NH2 3.49Å
194	V	98.6	Very high	98.3	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.012	19%	0.185	C	C	.	.			trans	-138.8	18.4	178.6	-65	0	0	0	0	113.1	H178 T192 L198 D222 Y226 L236	H178-V194 WeakPolarHBondContact NE2-CA 3.46Å; T192-V194 PolarHBondContact O-N 2.84Å; V194-L198 HydrophobicContact CB-CD2 4.03Å; V194-D222 HydrophobicContact CG2-CB 4.08Å; V194-D222 WeakPolarHBondContact CG2-O 3.14Å; V194-Y226 HydrophobicContact CG1-CD2 3.78Å; V194-Y226 HydrophobicContact CG1-CG 4.47Å; V194-L236 HydrophobicContact CG1-CD1 4.26Å; V194-L236 HydrophobicContact CG1-CD2 3.66Å
195	G	98.4	Very high	98.3	Very high	2 Å²	2	40.5 Å²	40.5	2%	0.021	18%	0.183	C	C	.	.			trans	-80.7	-169.8	176.9	0	0	0	0	0	112.9	H178 Y193 I197	H178-G195 PolarHBondContact NE2-O 3.17Å; Y193-G195 VanDerWaalsContact CE2-CA 3.42Å; Y193-G195 VanDerWaalsContact CE2-N 3.28Å; Y193-G195 PolarHBondContact OH-O 3.04Å; G195-I197 PolarHBondContact O-N 2.95Å
196	G	98.6	Very high	98.3	Very high	1 Å²	1	46 Å²	46	1%	0.01	21%	0.209	C	C	.	.	S	Bend	trans	72.8	-91.7	179.8	0	0	0	0	0	112.1	D157 Y193	D157-G196 PolarHBondContact N-O 3.23Å; D157-G196 WeakPolarHBondContact OD2-CA 3.25Å; Y193-G196 PolarHBondContact OH-N 3.31Å
197	I	98.9	Very high	98.3	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	111.7	-173.9	-52.6	155.3	0	0	0	110.6	M155 L160 Y169 H178 V179 A180 G195 L199 F249	M155-I197 VanDerWaalsContact O-CA 3.3Å; M155-I197 WeakPolarHBondContact O-CA 3.25Å; L160-I197 HydrophobicContact CB-CD1 4.46Å; L160-I197 HydrophobicContact CD2-CD1 3.8Å; L160-I197 HydrophobicContact CD2-CG1 4.05Å; L160-I197 HydrophobicContact CG-CD1 4.07Å; Y169-I197 HydrophobicContact CE1-CG2 4.09Å; H178-I197 PolarHBondContact CD2-O 2.89Å; H178-I197 VanDerWaalsContact CD2-O 3.28Å; V179-I197 HydrophobicContact CB-CB 3.98Å; V179-I197 HydrophobicContact CB-CG2 3.71Å; V179-I197 HydrophobicContact CG1-CB 4.41Å; V179-I197 HydrophobicContact CG1-CG2 4.17Å; V179-I197 HydrophobicContact CG2-CG2 4.03Å; V179-I197 PolarHBondContact N-O 2.86Å; A180-I197 HydrophobicContact CB-CB 3.99Å; A180-I197 HydrophobicContact CB-CD1 4.46Å; A180-I197 HydrophobicContact CB-CG1 4.34Å; A180-I197 PolarHBondContact N-O 2.86Å; G195-I197 PolarHBondContact O-N 2.95Å; I197-L199 HydrophobicContact CG2-CD1 3.92Å; I197-F249 HydrophobicContact CD1-CD1 4.04Å; I197-F249 HydrophobicContact CD1-CE1 3.66Å; I197-F249 HydrophobicContact CD1-CZ 4.5Å
198	L	98.9	Very high	98.4	Very high	0 Å²	0	45 Å²	45	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	128.8	179.1	170.3	61.9	0	0	0	110.8	M155 P176 F177 H178 V194 L200 F225 L229 L236	M155-L198 HydrophobicContact CE-CB 3.47Å; M155-L198 VanDerWaalsContact CE-CB 3.47Å; M155-L198 HydrophobicContact CE-CD2 3.27Å; M155-L198 HydrophobicContact CE-CG 3.4Å; M155-L198 PolarHBondContact N-O 3.02Å; M155-L198 PolarHBondContact O-N 2.84Å; M155-L198 VanDerWaalsContact O-N 3.14Å; P176-L198 HydrophobicContact CB-CD1 4.02Å; F177-L198 WeakPolarHBondContact O-CD1 3.42Å; H178-L198 HydrophobicContact CB-CD1 3.96Å; V194-L198 HydrophobicContact CB-CD2 4.03Å; L198-L200 HydrophobicContact CD1-CD1 4.37Å; L198-L200 HydrophobicContact CD2-CD1 4.1Å; L198-L200 HydrophobicContact CG-CD1 3.73Å; L198-F225 HydrophobicContact CD2-CD1 4.02Å; L198-F225 HydrophobicContact CD2-CE1 3.94Å; L198-L229 HydrophobicContact CD2-CD1 4.3Å; L198-L236 HydrophobicContact CD1-CD1 4.06Å
199	L	98.9	Very high	98.4	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	139.1	-177.9	-80.8	62.4	0	0	0	111.1	Y152 L153 A154 Y169 P172 P176 F177 V179 I197	Y152-L199 HydrophobicContact CE2-CD2 4.07Å; L153-L199 CarbonylContact O-C 3.5Å; L153-L199 VanDerWaalsContact O-CA 3.26Å; L153-L199 WeakPolarHBondContact O-CA 3.49Å; A154-L199 HydrophobicContact CB-CD1 3.61Å; A154-L199 HydrophobicContact CB-CG 3.8Å; Y169-L199 HydrophobicContact CD1-CD1 4.42Å; Y169-L199 HydrophobicContact CD1-CD2 4.36Å; Y169-L199 HydrophobicContact CG-CD2 4.48Å; P172-L199 HydrophobicContact CG-CB 4.19Å; P176-L199 CarbonylContact C-O 3.52Å; P176-L199 VanDerWaalsContact CA-O 3.29Å; P176-L199 WeakPolarHBondContact CA-O 3.49Å; F177-L199 HydrophobicContact CB-CB 4.32Å; F177-L199 PolarHBondContact N-O 3.18Å; F177-L199 PolarHBondContact O-N 2.84Å; V179-L199 HydrophobicContact CG2-CD1 3.64Å; I197-L199 HydrophobicContact CG2-CD1 3.92Å
200	L	98.9	Very high	98.4	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	147.5	174.3	-63.8	94.2	0	0	0	110.4	Y152 L153 M155 P176 L198 H204 Y205 F225 L229	Y152-L200 CarbonylContact C-O 3.57Å; Y152-L200 WeakPolarHBondContact CA-O 3.49Å; Y152-L200 VanDerWaalsContact CB-O 3.26Å; Y152-L200 WeakPolarHBondContact CB-O 3.24Å; L153-L200 HydrophobicContact CD2-CB 4.25Å; L153-L200 WeakPolarHBondContact CD2-O 3.42Å; L153-L200 PolarHBondContact N-O 3.48Å; L153-L200 PolarHBondContact O-N 3.44Å; M155-L200 HydrophobicContact CE-CD1 3.68Å; M155-L200 HydrophobicContact SD-CD1 4.31Å; P176-L200 HydrophobicContact CB-CD2 4.1Å; P176-L200 HydrophobicContact CB-CG 3.94Å; P176-L200 HydrophobicContact CG-CD2 3.81Å; P176-L200 HydrophobicContact CG-CG 4.12Å; L198-L200 HydrophobicContact CD1-CD1 4.37Å; L198-L200 HydrophobicContact CD2-CD1 4.1Å; L198-L200 HydrophobicContact CG-CD1 3.73Å; L200-H204 HydrophobicContact CB-CB 4.41Å; L200-H204 HydrophobicContact CD2-CB 4.33Å; L200-Y205 HydrophobicContact CD1-CD2 4.37Å; L200-Y205 HydrophobicContact CD2-CD2 4.29Å; L200-F225 HydrophobicContact CD1-CE1 4.04Å; L200-F225 HydrophobicContact CD1-CZ 4.42Å; L200-F225 HydrophobicContact CD2-CE1 4.05Å; L200-F225 HydrophobicContact CD2-CZ 3.85Å; L200-L229 HydrophobicContact CD2-CD2 3.9Å
201	T	98.9	Very high	98.5	Very high	9 Å²	9	36.2 Å²	36.2	6%	0.055	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	153	162	72	0	0	0	0	109.3	F171 P172 R203 H204 Y205	F171-T201 HydrophobicContact CD2-CG2 4.4Å; F171-T201 HydrophobicContact CE1-CG2 3.99Å; F171-T201 HydrophobicContact CE2-CG2 3.67Å; F171-T201 HydrophobicContact CZ-CG2 3.43Å; F171-T201 VanDerWaalsContact CZ-CG2 3.43Å; P172-T201 HydrophobicContact CG-CG2 4.1Å; P172-T201 WeakPolarHBondContact O-CG2 3.48Å; T201-R203 PolarHBondContact O-N 3.32Å; T201-H204 PolarHBondContact O-N 3.13Å; T201-H204 VanDerWaalsContact O-N 3.13Å; T201-H204 WeakPolarHBondContact OG1-CB 3.32Å; T201-H204 PolarHBondContact OG1-N 2.94Å; T201-H204 PolarHBondContact OG1-ND1 2.81Å; T201-Y205 PolarHBondContact O-N 3.3Å
202	K	98.7	Very high	98.5	Very high	33 Å²	33	27.5 Å²	27.5	14%	0.143	13%	0.128	C	C	.	.	H	α-helix	trans	-59.5	-34.8	175.6	-77.9	-169.5	173.9	172.9	0	112.8	F143 S146 G147 T150 D151 Y205 H206	F143-K202 HydrophobicContact CD2-CG 4.35Å; F143-K202 HydrophobicContact CE2-CB 3.81Å; F143-K202 HydrophobicContact CE2-CD 4.24Å; F143-K202 HydrophobicContact CE2-CG 3.69Å; F143-K202 HydrophobicContact CZ-CB 4.22Å; F143-K202 HydrophobicContact CZ-CD 4.48Å; F143-K202 HydrophobicContact CZ-CG 4.31Å; S146-K202 WeakPolarHBondContact OG-CE 3.39Å; S146-K202 PolarHBondContact OG-NZ 3.45Å; G147-K202 PolarHBondContact O-NZ 2.99Å; T150-K202 VanDerWaalsContact O-CD 3.27Å; T150-K202 WeakPolarHBondContact O-CD 3.43Å; T150-K202 WeakPolarHBondContact O-CE 3.4Å; T150-K202 PolarHBondContact O-NZ 3.33Å; T150-K202 VanDerWaalsContact OG1-CE 3.23Å; T150-K202 WeakPolarHBondContact OG1-CE 3.4Å; T150-K202 PolarHBondContact OG1-NZ 3.28Å; D151-K202 PolarHBondContact O-N 2.9Å; K202-Y205 PolarHBondContact O-N 3.02Å; K202-H206 WeakPolarHBondContact O-CB 3.28Å; K202-H206 PolarHBondContact O-N 2.87Å
203	R	98.6	Very high	98.6	Very high	190 Å²	190	26.1 Å²	26.1	72%	0.717	12%	0.119	S	C	*	.	H	α-helix	trans	-59.6	-51	173.4	178	-179.8	163.9	174.7	-3.6	111.5	T201 Y205 H206 M207	T201-R203 PolarHBondContact O-N 3.32Å; R203-Y205 VanDerWaalsContact C-N 3.33Å; R203-Y205 PolarHBondContact O-N 2.91Å; R203-H206 PolarHBondContact O-N 3.44Å; R203-M207 HydrophobicContact CG-SD 4.2Å; R203-M207 WeakPolarHBondContact O-CG 3.21Å; R203-M207 PolarHBondContact O-N 2.83Å
204	H	98.8	Very high	98.5	Very high	21 Å²	21	28.7 Å²	28.7	10%	0.097	13%	0.128	C	C	.	.	H	α-helix	trans	-61.7	-41.6	179.1	-67.7	162.6	0	0	0	111.8	K173 L200 T201 H206 M207 C208 L234	K173-H204 PolarHBondContact O-CE1 3.07Å; L200-H204 HydrophobicContact CB-CB 4.41Å; L200-H204 HydrophobicContact CD2-CB 4.33Å; T201-H204 PolarHBondContact O-N 3.13Å; T201-H204 VanDerWaalsContact O-N 3.13Å; T201-H204 WeakPolarHBondContact OG1-CB 3.32Å; T201-H204 PolarHBondContact OG1-N 2.94Å; T201-H204 PolarHBondContact OG1-ND1 2.81Å; H204-H206 VanDerWaalsContact C-N 3.32Å; H204-H206 PolarHBondContact O-N 2.9Å; H204-M207 WeakPolarHBondContact O-CB 3.28Å; H204-M207 PolarHBondContact O-N 3.28Å; H204-C208 PolarHBondContact O-N 3.22Å; H204-C208 PolarHBondContact O-SG 2.9Å; H204-L234 HydrophobicContact CB-CD1 3.87Å; H204-L234 HydrophobicContact CB-CD2 4.45Å
205	Y	98.8	Very high	98.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.5	-40.7	176.3	-163.8	-95.9	0	0	0	112.3	I139 N140 F143 L153 M155 L200 T201 K202 R203 C208 G210 M211 F225 L281	I139-Y205 HydrophobicContact CG2-CE2 4.06Å; I139-Y205 VanDerWaalsContact CG2-OH 3.26Å; I139-Y205 WeakPolarHBondContact CG2-OH 3.31Å; N140-Y205 PolarHBondContact OD1-OH 2.87Å; F143-Y205 HydrophobicContact CB-CD1 4.19Å; F143-Y205 HydrophobicContact CB-CE1 3.85Å; F143-Y205 HydrophobicContact CD1-CD1 4.4Å; F143-Y205 AromaticContact CD2-CD1 3.25Å; F143-Y205 HydrophobicContact CD2-CD1 3.25Å; F143-Y205 AromaticContact CD2-CE1 3.83Å; F143-Y205 HydrophobicContact CD2-CE1 3.83Å; F143-Y205 AromaticContact CD2-CG 3.86Å; F143-Y205 HydrophobicContact CD2-CG 3.86Å; F143-Y205 AromaticContact CE2-CD1 3.61Å; F143-Y205 HydrophobicContact CE2-CD1 3.61Å; F143-Y205 HydrophobicContact CE2-CG 4.09Å; F143-Y205 AromaticContact CG-CD1 3.69Å; F143-Y205 HydrophobicContact CG-CD1 3.69Å; F143-Y205 AromaticContact CG-CE1 3.84Å; F143-Y205 HydrophobicContact CG-CE1 3.84Å; F143-Y205 HydrophobicContact CZ-CD1 4.35Å; L153-Y205 HydrophobicContact CD1-CD2 3.97Å; L153-Y205 HydrophobicContact CD1-CE2 4.01Å; L153-Y205 HydrophobicContact CD1-CG 4.37Å; L153-Y205 HydrophobicContact CD2-CD2 4.1Å; L153-Y205 HydrophobicContact CD2-CG 3.97Å; M155-Y205 HydrophobicContact SD-CE2 3.93Å; L200-Y205 HydrophobicContact CD1-CD2 4.37Å; L200-Y205 HydrophobicContact CD2-CD2 4.29Å; T201-Y205 PolarHBondContact O-N 3.3Å; K202-Y205 PolarHBondContact O-N 3.02Å; R203-Y205 VanDerWaalsContact C-N 3.33Å; R203-Y205 PolarHBondContact O-N 2.91Å; Y205-C208 PolarHBondContact O-N 2.79Å; Y205-G210 PolarHBondContact O-N 3.4Å; Y205-M211 HydrophobicContact CE2-CG 4.27Å; Y205-F225 AromaticContact CD2-CZ 3.9Å; Y205-F225 HydrophobicContact CD2-CZ 3.9Å; Y205-F225 HydrophobicContact CE2-CE2 4.3Å; Y205-F225 AromaticContact CE2-CZ 3.87Å; Y205-F225 HydrophobicContact CE2-CZ 3.87Å; Y205-L281 HydrophobicContact CD1-CD2 4.32Å; Y205-L281 HydrophobicContact CE1-CD2 4.45Å
206	H	97.9	Very high	98.4	Very high	119 Å²	119	29.6 Å²	29.6	55%	0.551	13%	0.132	S	C	*	.	H	α-helix	trans	-65.9	-40	175.7	-166.6	78.4	0	0	0	112.5	K202 R203 H204 C208 N209	K202-H206 WeakPolarHBondContact O-CB 3.28Å; K202-H206 PolarHBondContact O-N 2.87Å; R203-H206 PolarHBondContact O-N 3.44Å; H204-H206 VanDerWaalsContact C-N 3.32Å; H204-H206 PolarHBondContact O-N 2.9Å; H206-C208 PolarHBondContact O-N 3.2Å; H206-N209 PolarHBondContact O-N 3.08Å
207	M	98.1	Very high	98.4	Very high	91 Å²	91	30 Å²	30	45%	0.448	14%	0.136	S	C	.	.	H	α-helix	trans	-57.8	-29.5	174.5	-71.6	169.7	60.5	0	0	112.7	R203 H204 N209 A232 L234	R203-M207 HydrophobicContact CG-SD 4.2Å; R203-M207 WeakPolarHBondContact O-CG 3.21Å; R203-M207 PolarHBondContact O-N 2.83Å; H204-M207 WeakPolarHBondContact O-CB 3.28Å; H204-M207 PolarHBondContact O-N 3.28Å; M207-N209 VanDerWaalsContact C-N 3.32Å; M207-A232 HydrophobicContact CB-CB 4.5Å; M207-L234 HydrophobicContact CE-CD2 3.94Å; M207-L234 HydrophobicContact SD-CD2 4.45Å
208	C	98.1	Very high	98.4	Very high	9 Å²	9	34.7 Å²	34.7	6%	0.061	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-2	176	-63.2	0	0	0	0	114.2	H204 Y205 H206 G210 F225 R228	H204-C208 PolarHBondContact O-N 3.22Å; H204-C208 PolarHBondContact O-SG 2.9Å; Y205-C208 PolarHBondContact O-N 2.79Å; H206-C208 PolarHBondContact O-N 3.2Å; C208-G210 PolarHBondContact O-N 3.46Å; C208-F225 HydrophobicContact CB-CE2 3.86Å; C208-F225 HydrophobicContact CB-CZ 4.41Å; C208-R228 HydrophobicContact CB-CB 4.19Å; C208-R228 PolarHBondContact O-NH1 3.18Å
209	N	98.3	Very high	98.2	Very high	39 Å²	39	35.2 Å²	35.2	21%	0.209	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	40.2	-163.5	-171.2	22.7	0	0	0	111.8	H206 M207 R228 G280 L281 T282	H206-N209 PolarHBondContact O-N 3.08Å; M207-N209 VanDerWaalsContact C-N 3.32Å; N209-R228 PolarHBondContact O-NH1 3.25Å; N209-G280 CarbonylContact O-C 3.44Å; N209-G280 VanDerWaalsContact O-CA 3.23Å; N209-G280 WeakPolarHBondContact O-CA 3.35Å; N209-L281 PolarHBondContact O-N 3.03Å; N209-L281 PolarHBondContact OD1-N 2.99Å; N209-T282 PolarHBondContact ND2-OG1 3.23Å; N209-T282 VanDerWaalsContact ND2-OG1 3.15Å; N209-T282 VanDerWaalsContact OD1-CG2 3.28Å; N209-T282 WeakPolarHBondContact OD1-CG2 3.46Å; N209-T282 PolarHBondContact OD1-N 2.77Å; N209-T282 PolarHBondContact OD1-OG1 3.48Å; N209-T282 VanDerWaalsContact OD1-OG1 3.08Å
210	G	98.4	Very high	98.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	54.7	-155.3	-174.9	0	0	0	0	0	114.5	N140 Y205 C208 F225 R228	N140-G210 WeakPolarHBondContact OD1-CA 3.44Å; Y205-G210 PolarHBondContact O-N 3.4Å; C208-G210 PolarHBondContact O-N 3.46Å; G210-F225 WeakPolarHBondContact O-CE2 3.44Å; G210-R228 VanDerWaalsContact O-CD 3.27Å; G210-R228 WeakPolarHBondContact O-CD 3.39Å; G210-R228 PolarHBondContact O-NH1 2.87Å
211	M	98.7	Very high	98.1	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	18%	0.178	C	C	.	.	S	Bend	trans	-91.5	157.2	179.1	-58.1	-176.1	79.8	0	0	111.3	A136 I139 N140 M155 Y205 E221 F225 G280	A136-M211 HydrophobicContact CB-CB 3.63Å; A136-M211 HydrophobicContact CB-CE 4.01Å; A136-M211 HydrophobicContact CB-CG 4.44Å; A136-M211 HydrophobicContact CB-SD 4.05Å; I139-M211 HydrophobicContact CB-SD 4.03Å; I139-M211 HydrophobicContact CG1-SD 4.08Å; I139-M211 HydrophobicContact CG2-SD 4.25Å; N140-M211 PolarHBondContact ND2-O 3.48Å; N140-M211 PolarHBondContact OD1-N 3.38Å; M155-M211 HydrophobicContact SD-CG 4.49Å; M155-M211 HydrophobicContact SD-SD 3.72Å; Y205-M211 HydrophobicContact CE2-CG 4.27Å; M211-E221 HydrophobicContact CE-CG 3.91Å; M211-F225 HydrophobicContact CB-CD2 4.23Å; M211-F225 HydrophobicContact CE-CB 3.81Å; M211-F225 HydrophobicContact CE-CD1 4.39Å; M211-F225 HydrophobicContact CE-CG 4.08Å; M211-F225 HydrophobicContact CG-CB 4.32Å; M211-F225 HydrophobicContact CG-CD1 4.31Å; M211-F225 HydrophobicContact CG-CD2 3.57Å; M211-F225 HydrophobicContact CG-CE2 3.87Å; M211-F225 HydrophobicContact CG-CG 3.82Å; M211-F225 HydrophobicContact CG-CZ 4.35Å; M211-G280 WeakPolarHBondContact O-CA 3.41Å
212	S	98.3	Very high	98.1	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.007	18%	0.179	C	C	.	.			trans	-64.6	141.5	173.1	172.6	0	0	0	0	112.4	A136 R214 D276	A136-S212 WeakPolarHBondContact CB-O 3.21Å; S212-R214 VanDerWaalsContact C-N 3.33Å; S212-R214 PolarHBondContact OG-N 2.76Å; S212-D276 WeakPolarHBondContact CB-OD2 3.4Å; S212-D276 WeakPolarHBondContact OG-CB 3.3Å; S212-D276 PolarHBondContact OG-OD2 2.83Å
213	N	98.2	Very high	98.1	Very high	25 Å²	25	39.8 Å²	39.8	13%	0.134	18%	0.177	C	C	.	.	S	Bend	trans	-85.3	-3.6	176.7	-57.1	-41.2	0	0	0	113.5	N134 S137 N140 F215 G280 N283 L284	N134-N213 PolarHBondContact ND2-O 3.03Å; S137-N213 VanDerWaalsContact OG-CA 3.31Å; S137-N213 WeakPolarHBondContact OG-CA 3.33Å; S137-N213 PolarHBondContact OG-OD1 3.47Å; N140-N213 PolarHBondContact ND2-OD1 3.28Å; N213-F215 PolarHBondContact O-N 2.75Å; N213-G280 PolarHBondContact ND2-O 3.18Å; N213-N283 PolarHBondContact ND2-OD1 3.23Å; N213-L284 WeakPolarHBondContact OD1-CD1 3.45Å
214	R	97.3	Very high	98.1	Very high	58 Å²	58	30.8 Å²	30.8	22%	0.219	14%	0.143	C	C	.	.			trans	-86.8	-4.8	-167.7	-58.6	176.1	70.8	82.5	1.9	114.4	S212 W216 D276 Q314 T315 W317	S212-R214 VanDerWaalsContact C-N 3.33Å; S212-R214 PolarHBondContact OG-N 2.76Å; R214-W216 PolarHBondContact O-N 3.28Å; R214-D276 WeakPolarHBondContact CD-OD1 3.31Å; R214-D276 WeakPolarHBondContact CD-OD2 2.93Å; R214-D276 WeakPolarHBondContact CG-OD2 3.24Å; R214-Q314 PolarHBondContact NH2-O 3.15Å; R214-Q314 VanDerWaalsContact NH2-O 3.1Å; R214-T315 HydrophobicContact CB-CG2 3.87Å; R214-T315 HydrophobicContact CG-CG2 3.92Å; R214-W317 PolarHBondContact O-NE1 3.42Å
215	F	97.8	Very high	98.1	Very high	18 Å²	18	29.8 Å²	29.8	8%	0.079	14%	0.139	C	C	.	.			trans	-93.9	90	-173.8	-67.5	-89.2	0	0	0	111.8	N134 N213 R220 E221 E224 Q272	N134-F215 VanDerWaalsContact CG-O 3.26Å; N134-F215 PolarHBondContact OD1-O 3.15Å; N213-F215 PolarHBondContact O-N 2.75Å; F215-R220 HydrophobicContact CD1-CB 3.9Å; F215-R220 HydrophobicContact CE1-CB 3.57Å; F215-R220 WeakPolarHBondContact CE1-O 3.5Å; F215-E221 HydrophobicContact CB-CB 3.52Å; F215-E221 HydrophobicContact CD1-CB 4.15Å; F215-E221 HydrophobicContact CD2-CB 3.97Å; F215-E221 HydrophobicContact CG-CB 3.61Å; F215-E224 HydrophobicContact CE2-CB 3.67Å; F215-E224 HydrophobicContact CE2-CG 3.76Å; F215-E224 HydrophobicContact CZ-CB 3.55Å; F215-E224 HydrophobicContact CZ-CG 3.81Å; F215-Q272 HydrophobicContact CE1-CB 4.34Å
216	W	98	Very high	98.1	Very high	6 Å²	6	32.4 Å²	32.4	2%	0.023	15%	0.149	C	C	.	.			trans	-98.9	124.2	176.1	-58	95.3	0	0	0	111.4	Y131 R132 N134 R214 Q268 L308 C310 T315 W317 C318	Y131-W216 VanDerWaalsContact CB-CZ3 3.42Å; Y131-W216 HydrophobicContact CD2-CH2 4.16Å; Y131-W216 HydrophobicContact CD2-CZ3 4.23Å; Y131-W216 HydrophobicContact CG-CH2 4.33Å; Y131-W216 HydrophobicContact CG-CZ3 4.08Å; R132-W216 HydrophobicContact CB-CB 4.1Å; R132-W216 PolarHBondContact NH1-O 3.26Å; R132-W216 VanDerWaalsContact O-CE3 3.23Å; N134-W216 HydrophobicContact CB-CD2 4.15Å; N134-W216 HydrophobicContact CB-CE3 3.59Å; N134-W216 HydrophobicContact CB-CH2 4.38Å; N134-W216 HydrophobicContact CB-CZ3 3.71Å; N134-W216 VanDerWaalsContact ND2-CD2 3.3Å; N134-W216 VanDerWaalsContact ND2-CE2 3.27Å; R214-W216 PolarHBondContact O-N 3.28Å; W216-Q268 PolarHBondContact O-NE2 3.21Å; W216-L308 HydrophobicContact CH2-CB 3.83Å; W216-L308 HydrophobicContact CH2-CD1 4.15Å; W216-L308 HydrophobicContact CZ3-CB 4.37Å; W216-L308 HydrophobicContact CZ3-CD1 4.15Å; W216-C310 HydrophobicContact CH2-CB 4.21Å; W216-C310 HydrophobicContact CZ2-CB 3.82Å; W216-T315 PolarHBondContact NE1-OG1 2.92Å; W216-W317 AromaticContact CD1-CD1 3.96Å; W216-W317 AromaticContact CD1-NE1 3.87Å; W216-C318 HydrophobicContact CB-CB 4.2Å; W216-C318 HydrophobicContact CD2-CB 3.36Å; W216-C318 VanDerWaalsContact CE2-CB 3.47Å; W216-C318 HydrophobicContact CE3-CB 3.91Å; W216-C318 VanDerWaalsContact CG-CA 3.47Å; W216-C318 HydrophobicContact CG-CB 3.49Å; W216-C318 VanDerWaalsContact CG-CB 3.49Å; W216-C318 HydrophobicContact CZ2-CB 4.11Å
217	G	98	Very high	98.1	Very high	10 Å²	10	30 Å²	30	10%	0.103	14%	0.135	C	C	.	.	S	Bend	trans	92.5	-173.2	-171	0	0	0	0	0	112.5	F133	F133-G217 PolarHBondContact O-N 2.7Å
218	W	97.9	Very high	98.1	Very high	98 Å²	98	26.6 Å²	26.6	37%	0.371	12%	0.117	S	C	.	.	S	Bend	trans	-79.2	126.9	-173.5	-177.3	85.1	0	0	0	112.9	Y188 R260 D261 Q262 R264	Y188-W218 HydrophobicContact CE1-CH2 4.37Å; Y188-W218 HydrophobicContact CE1-CZ2 4.07Å; Y188-W218 AromaticContact CZ-CZ2 3.77Å; Y188-W218 WeakPolarHBondContact OH-CZ2 3.45Å; W218-R260 HydrophobicContact CB-CB 4.21Å; W218-R260 HydrophobicContact CD2-CB 4.37Å; W218-R260 HydrophobicContact CG-CB 3.95Å; W218-R260 HydrophobicContact CG-CG 4.17Å; W218-D261 WeakPolarHBondContact CB-O 3.48Å; W218-D261 PolarHBondContact N-O 3.46Å; W218-Q262 HydrophobicContact CB-CG 4.43Å; W218-Q262 HydrophobicContact CD2-CG 4.22Å; W218-Q262 HydrophobicContact CE3-CG 3.7Å; W218-Q262 HydrophobicContact CZ3-CG 4.41Å; W218-R264 VanDerWaalsContact O-CZ 3.26Å; W218-R264 PolarHBondContact O-NH1 3.29Å; W218-R264 PolarHBondContact O-NH2 2.87Å
219	G	96.1	Very high	98.1	Very high	10 Å²	10	26.2 Å²	26.2	10%	0.103	12%	0.115	C	C	.	.	S	Bend	trans	98.6	158.9	158.5	0	0	0	0	0	116.2	E221	G219-E221 VanDerWaalsContact C-N 3.3Å; G219-E221 WeakPolarHBondContact CA-OE2 3.33Å; G219-E221 PolarHBondContact O-N 3.22Å
220	R	97.6	Very high	98	Very high	89 Å²	89	31.6 Å²	31.6	34%	0.336	13%	0.132	S	C	.	.	S	Bend	trans	79.4	-10.9	177.2	-55.5	-59.7	-170.1	-177	-2.8	116.2	F215 D222 D223 E224 Q272	F215-R220 HydrophobicContact CD1-CB 3.9Å; F215-R220 HydrophobicContact CE1-CB 3.57Å; F215-R220 WeakPolarHBondContact CE1-O 3.5Å; R220-D222 VanDerWaalsContact C-N 3.29Å; R220-D223 WeakPolarHBondContact CD-OD2 3.09Å; R220-D223 IonicContact CZ-OD2 3.51Å; R220-D223 IonicContact NE-OD2 3.33Å; R220-D223 IonicContact NH1-OD2 3.3Å; R220-D223 PolarHBondContact NH1-OD2 3.49Å; R220-D223 PolarHBondContact O-N 2.93Å; R220-E224 PolarHBondContact O-N 3.03Å; R220-Q272 HydrophobicContact CB-CB 4.18Å; R220-Q272 HydrophobicContact CG-CB 3.97Å; R220-Q272 HydrophobicContact CG-CG 4.08Å
221	E	98.6	Very high	98	Very high	15 Å²	15	39.5 Å²	39.5	7%	0.07	17%	0.166	C	C	.	.	H	α-helix	trans	-69.4	-32.7	176.8	87.2	-65.6	170.7	0	0	111.7	R135 A136 M211 F215 G219 F225	R135-E221 WeakPolarHBondContact CD-OE1 3.35Å; R135-E221 IonicContact CZ-OE1 3.62Å; R135-E221 IonicContact NE-OE1 3.73Å; R135-E221 IonicContact NH1-OE1 3.15Å; R135-E221 PolarHBondContact NH1-OE1 3.14Å; A136-E221 HydrophobicContact CB-CB 3.85Å; A136-E221 HydrophobicContact CB-CG 3.82Å; M211-E221 HydrophobicContact CE-CG 3.91Å; F215-E221 HydrophobicContact CB-CB 3.52Å; F215-E221 HydrophobicContact CD1-CB 4.15Å; F215-E221 HydrophobicContact CD2-CB 3.97Å; F215-E221 HydrophobicContact CG-CB 3.61Å; G219-E221 VanDerWaalsContact C-N 3.3Å; G219-E221 WeakPolarHBondContact CA-OE2 3.33Å; G219-E221 PolarHBondContact O-N 3.22Å; E221-F225 WeakPolarHBondContact O-CB 3.21Å; E221-F225 PolarHBondContact O-N 3.36Å
222	D	98.4	Very high	97.9	Very high	16 Å²	16	40.5 Å²	40.5	9%	0.086	18%	0.175	C	C	.	.	H	α-helix	trans	-70.6	-44.5	173.3	58	-16.2	0	0	0	112	V194 R220 E224 F225 Y226	V194-D222 HydrophobicContact CG2-CB 4.08Å; V194-D222 WeakPolarHBondContact CG2-O 3.14Å; R220-D222 VanDerWaalsContact C-N 3.29Å; D222-E224 VanDerWaalsContact C-N 3.29Å; D222-E224 PolarHBondContact O-N 3.02Å; D222-F225 PolarHBondContact O-N 2.58Å; D222-Y226 PolarHBondContact O-N 3.35Å
223	D	98.4	Very high	97.9	Very high	20 Å²	20	49 Å²	49	11%	0.107	22%	0.215	C	C	.	.	H	α-helix	trans	-59.1	-38.7	173.7	-74	-39	0	0	0	112.4	Y190 R220 R227	Y190-D223 VanDerWaalsContact CE2-OD1 3.32Å; Y190-D223 WeakPolarHBondContact CE2-OD1 3.14Å; Y190-D223 PolarHBondContact OH-OD1 3.4Å; R220-D223 WeakPolarHBondContact CD-OD2 3.09Å; R220-D223 IonicContact CZ-OD2 3.51Å; R220-D223 IonicContact NE-OD2 3.33Å; R220-D223 IonicContact NH1-OD2 3.3Å; R220-D223 PolarHBondContact NH1-OD2 3.49Å; R220-D223 PolarHBondContact O-N 2.93Å; D223-R227 PolarHBondContact O-N 3.25Å; D223-R227 PolarHBondContact O-NE 2.82Å
224	E	98.4	Very high	97.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-68.7	-44.8	174	-161.8	-84.8	172.4	0	0	111.5	F215 R220 D222 Y226 R227 R228 D276	F215-E224 HydrophobicContact CE2-CB 3.67Å; F215-E224 HydrophobicContact CE2-CG 3.76Å; F215-E224 HydrophobicContact CZ-CB 3.55Å; F215-E224 HydrophobicContact CZ-CG 3.81Å; R220-E224 PolarHBondContact O-N 3.03Å; D222-E224 VanDerWaalsContact C-N 3.29Å; D222-E224 PolarHBondContact O-N 3.02Å; E224-Y226 VanDerWaalsContact C-N 3.32Å; E224-Y226 PolarHBondContact O-N 2.86Å; E224-R227 WeakPolarHBondContact O-CA 3.32Å; E224-R227 WeakPolarHBondContact O-CB 3.47Å; E224-R227 PolarHBondContact O-N 2.72Å; E224-R228 VanDerWaalsContact CD-NE 3.26Å; E224-R228 PolarHBondContact O-N 3.43Å; E224-R228 VanDerWaalsContact O-N 3.12Å; E224-R228 IonicContact OE1-CZ 2.67Å; E224-R228 IonicContact OE1-NE 2.88Å; E224-R228 PolarHBondContact OE1-NE 2.89Å; E224-R228 IonicContact OE1-NH2 3.99Å; E224-R228 PolarHBondContact OE1-NH2 3.09Å; E224-R228 VanDerWaalsContact OE1-NH2 3.12Å; E224-R228 WeakPolarHBondContact OE2-CD 3.45Å; E224-R228 IonicContact OE2-CZ 2.79Å; E224-R228 IonicContact OE2-NE 3.69Å; E224-R228 PolarHBondContact OE2-NE 2.9Å; E224-R228 IonicContact OE2-NH2 2.64Å; E224-D276 PolarHBondContact OE1-N 3.35Å
225	F	98.6	Very high	98	Very high	1 Å²	1	51.6 Å²	51.6	0%	0.004	23%	0.229	C	C	.	.	H	α-helix	trans	-63	-37.8	178	-167.4	-121.6	0	0	0	112.4	M155 L198 L200 Y205 C208 G210 M211 E221 D222 R227 R228 L229	M155-F225 HydrophobicContact CE-CD1 4.06Å; M155-F225 HydrophobicContact CE-CE1 3.74Å; M155-F225 HydrophobicContact SD-CE1 4.22Å; L198-F225 HydrophobicContact CD2-CD1 4.02Å; L198-F225 HydrophobicContact CD2-CE1 3.94Å; L200-F225 HydrophobicContact CD1-CE1 4.04Å; L200-F225 HydrophobicContact CD1-CZ 4.42Å; L200-F225 HydrophobicContact CD2-CE1 4.05Å; L200-F225 HydrophobicContact CD2-CZ 3.85Å; Y205-F225 AromaticContact CD2-CZ 3.9Å; Y205-F225 HydrophobicContact CD2-CZ 3.9Å; Y205-F225 HydrophobicContact CE2-CE2 4.3Å; Y205-F225 AromaticContact CE2-CZ 3.87Å; Y205-F225 HydrophobicContact CE2-CZ 3.87Å; C208-F225 HydrophobicContact CB-CE2 3.86Å; C208-F225 HydrophobicContact CB-CZ 4.41Å; G210-F225 WeakPolarHBondContact O-CE2 3.44Å; M211-F225 HydrophobicContact CB-CD2 4.23Å; M211-F225 HydrophobicContact CE-CB 3.81Å; M211-F225 HydrophobicContact CE-CD1 4.39Å; M211-F225 HydrophobicContact CE-CG 4.08Å; M211-F225 HydrophobicContact CG-CB 4.32Å; M211-F225 HydrophobicContact CG-CD1 4.31Å; M211-F225 HydrophobicContact CG-CD2 3.57Å; M211-F225 HydrophobicContact CG-CE2 3.87Å; M211-F225 HydrophobicContact CG-CG 3.82Å; M211-F225 HydrophobicContact CG-CZ 4.35Å; E221-F225 WeakPolarHBondContact O-CB 3.21Å; E221-F225 PolarHBondContact O-N 3.36Å; D222-F225 PolarHBondContact O-N 2.58Å; F225-R227 PolarHBondContact O-N 2.94Å; F225-R228 HydrophobicContact CD2-CB 4.26Å; F225-R228 WeakPolarHBondContact O-CA 3.44Å; F225-R228 WeakPolarHBondContact O-CB 3.33Å; F225-R228 PolarHBondContact O-N 3.3Å; F225-L229 HydrophobicContact CD1-CD2 4.31Å; F225-L229 HydrophobicContact CD1-CG 4.44Å; F225-L229 HydrophobicContact CE1-CD2 3.78Å; F225-L229 HydrophobicContact CE1-CG 4.36Å; F225-L229 HydrophobicContact CE2-CD2 4.41Å; F225-L229 HydrophobicContact CZ-CD2 3.83Å; F225-L229 WeakPolarHBondContact O-CG 3.22Å; F225-L229 PolarHBondContact O-N 3.1Å
226	Y	98.5	Very high	98	Very high	54 Å²	54	52.4 Å²	52.4	21%	0.212	23%	0.233	C	C	.	.	H	α-helix	trans	-53.8	-42.9	171.5	175.6	-101.6	0	0	0	112	T192 V194 D222 E224 R228 L229 R230 L236	T192-Y226 HydrophobicContact CG2-CD1 4.08Å; T192-Y226 HydrophobicContact CG2-CE1 3.57Å; V194-Y226 HydrophobicContact CG1-CD2 3.78Å; V194-Y226 HydrophobicContact CG1-CG 4.47Å; D222-Y226 PolarHBondContact O-N 3.35Å; E224-Y226 VanDerWaalsContact C-N 3.32Å; E224-Y226 PolarHBondContact O-N 2.86Å; Y226-R228 VanDerWaalsContact C-N 3.32Å; Y226-R228 PolarHBondContact O-N 2.79Å; Y226-L229 WeakPolarHBondContact O-CB 3.48Å; Y226-L229 PolarHBondContact O-N 3.24Å; Y226-R230 HydrophobicContact CD1-CG 4.38Å; Y226-R230 HydrophobicContact CE1-CG 3.9Å; Y226-R230 HydrophobicContact CE2-CG 4.36Å; Y226-R230 WeakPolarHBondContact O-CG 3.38Å; Y226-R230 PolarHBondContact O-N 2.99Å; Y226-R230 VanDerWaalsContact O-N 3.08Å; Y226-L236 HydrophobicContact CD2-CD2 4.28Å; Y226-L236 HydrophobicContact CE2-CD2 4.09Å
227	R	98.1	Very high	98.1	Very high	69 Å²	69	55.1 Å²	55.1	26%	0.26	25%	0.246	S	C	.	.	H	α-helix	trans	-65.8	-35	176.7	-68.2	175.1	-73.8	157.7	-0.4	111.8	D223 E224 F225 R230 K231 F273 K274 V275	D223-R227 PolarHBondContact O-N 3.25Å; D223-R227 PolarHBondContact O-NE 2.82Å; E224-R227 WeakPolarHBondContact O-CA 3.32Å; E224-R227 WeakPolarHBondContact O-CB 3.47Å; E224-R227 PolarHBondContact O-N 2.72Å; F225-R227 PolarHBondContact O-N 2.94Å; R227-R230 PolarHBondContact O-N 3.22Å; R227-K231 WeakPolarHBondContact O-CB 3.28Å; R227-K231 PolarHBondContact O-N 3.48Å; R227-F273 PolarHBondContact NH1-O 2.87Å; R227-K274 PolarHBondContact NH1-O 3.41Å; R227-K274 PolarHBondContact NH2-O 3.08Å; R227-V275 HydrophobicContact CB-CG2 4.14Å; R227-V275 VanDerWaalsContact NH1-N 3.11Å
228	R	97.8	Very high	98.1	Very high	19 Å²	19	58.1 Å²	58.1	7%	0.072	25%	0.254	C	S	.	.	H	α-helix	trans	-64.4	-41.6	172.1	-62.6	-173.3	178.2	-131.2	-9	112.4	C208 N209 G210 E224 F225 Y226 R230 K231 A232 D276 G279	C208-R228 HydrophobicContact CB-CB 4.19Å; C208-R228 PolarHBondContact O-NH1 3.18Å; N209-R228 PolarHBondContact O-NH1 3.25Å; G210-R228 VanDerWaalsContact O-CD 3.27Å; G210-R228 WeakPolarHBondContact O-CD 3.39Å; G210-R228 PolarHBondContact O-NH1 2.87Å; E224-R228 VanDerWaalsContact CD-NE 3.26Å; E224-R228 PolarHBondContact O-N 3.43Å; E224-R228 VanDerWaalsContact O-N 3.12Å; E224-R228 IonicContact OE1-CZ 2.67Å; E224-R228 IonicContact OE1-NE 2.88Å; E224-R228 PolarHBondContact OE1-NE 2.89Å; E224-R228 IonicContact OE1-NH2 3.99Å; E224-R228 PolarHBondContact OE1-NH2 3.09Å; E224-R228 VanDerWaalsContact OE1-NH2 3.12Å; E224-R228 WeakPolarHBondContact OE2-CD 3.45Å; E224-R228 IonicContact OE2-CZ 2.79Å; E224-R228 IonicContact OE2-NE 3.69Å; E224-R228 PolarHBondContact OE2-NE 2.9Å; E224-R228 IonicContact OE2-NH2 2.64Å; F225-R228 HydrophobicContact CD2-CB 4.26Å; F225-R228 WeakPolarHBondContact O-CA 3.44Å; F225-R228 WeakPolarHBondContact O-CB 3.33Å; F225-R228 PolarHBondContact O-N 3.3Å; Y226-R228 VanDerWaalsContact C-N 3.32Å; Y226-R228 PolarHBondContact O-N 2.79Å; R228-R230 VanDerWaalsContact C-N 3.3Å; R228-R230 PolarHBondContact O-N 2.77Å; R228-K231 PolarHBondContact O-N 2.67Å; R228-A232 WeakPolarHBondContact O-CB 3.08Å; R228-A232 PolarHBondContact O-N 3.35Å; R228-D276 PolarHBondContact NH2-O 2.94Å; R228-D276 IonicContact NH2-OD2 3.48Å; R228-G279 VanDerWaalsContact CZ-O 3.27Å; R228-G279 PolarHBondContact NH1-O 3.26Å; R228-G279 PolarHBondContact NH2-O 2.73Å
229	L	98.2	Very high	98.1	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.01	24%	0.241	C	C	.	.	H	α-helix	trans	-57.9	-46.2	174.4	-57.6	-175.2	0	0	0	110.8	P176 L198 L200 F225 Y226 A232 E233 L234 L236	P176-L229 HydrophobicContact CB-CD1 4.09Å; P176-L229 HydrophobicContact CB-CD2 4.46Å; P176-L229 HydrophobicContact CG-CD1 4.2Å; P176-L229 HydrophobicContact CG-CD2 3.86Å; L198-L229 HydrophobicContact CD2-CD1 4.3Å; L200-L229 HydrophobicContact CD2-CD2 3.9Å; F225-L229 HydrophobicContact CD1-CD2 4.31Å; F225-L229 HydrophobicContact CD1-CG 4.44Å; F225-L229 HydrophobicContact CE1-CD2 3.78Å; F225-L229 HydrophobicContact CE1-CG 4.36Å; F225-L229 HydrophobicContact CE2-CD2 4.41Å; F225-L229 HydrophobicContact CZ-CD2 3.83Å; F225-L229 WeakPolarHBondContact O-CG 3.22Å; F225-L229 PolarHBondContact O-N 3.1Å; Y226-L229 WeakPolarHBondContact O-CB 3.48Å; Y226-L229 PolarHBondContact O-N 3.24Å; L229-A232 PolarHBondContact O-N 2.86Å; L229-E233 PolarHBondContact O-N 2.89Å; L229-L234 HydrophobicContact CD2-CD1 4.35Å; L229-L234 PolarHBondContact O-N 3.33Å; L229-L236 HydrophobicContact CD1-CD1 3.98Å
230	R	97.9	Very high	98.2	Very high	151 Å²	151	59 Å²	59	57%	0.57	27%	0.273	S	S	*	.	H	α-helix	trans	-64.2	-42.1	177.7	-64.3	-58.7	-61.5	-178.2	-1.2	112.5	Y226 R227 R228 A232 E233	Y226-R230 HydrophobicContact CD1-CG 4.38Å; Y226-R230 HydrophobicContact CE1-CG 3.9Å; Y226-R230 HydrophobicContact CE2-CG 4.36Å; Y226-R230 WeakPolarHBondContact O-CG 3.38Å; Y226-R230 PolarHBondContact O-N 2.99Å; Y226-R230 VanDerWaalsContact O-N 3.08Å; R227-R230 PolarHBondContact O-N 3.22Å; R228-R230 VanDerWaalsContact C-N 3.3Å; R228-R230 PolarHBondContact O-N 2.77Å; R230-A232 VanDerWaalsContact C-N 3.3Å; R230-A232 PolarHBondContact O-N 3.29Å; R230-E233 PolarHBondContact O-N 3.42Å; R230-E233 VanDerWaalsContact O-N 3.1Å
231	K	96.9	Very high	98.2	Very high	166 Å²	166	58.4 Å²	58.4	72%	0.722	29%	0.294	S	S	*	.	H	α-helix	trans	-65	-34.2	177.3	-175	-179.3	177.8	-174.9	0	112.3	R227 R228 E233	R227-K231 WeakPolarHBondContact O-CB 3.28Å; R227-K231 PolarHBondContact O-N 3.48Å; R228-K231 PolarHBondContact O-N 2.67Å; K231-E233 PolarHBondContact O-N 2.88Å
232	A	97.5	Very high	98.1	Very high	22 Å²	22	59.1 Å²	59.1	18%	0.182	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	7.9	174.6	0	0	0	0	0	113.2	M207 R228 L229 R230 L234	M207-A232 HydrophobicContact CB-CB 4.5Å; R228-A232 WeakPolarHBondContact O-CB 3.08Å; R228-A232 PolarHBondContact O-N 3.35Å; L229-A232 PolarHBondContact O-N 2.86Å; R230-A232 VanDerWaalsContact C-N 3.3Å; R230-A232 PolarHBondContact O-N 3.29Å; A232-L234 HydrophobicContact CB-CD1 4.13Å; A232-L234 HydrophobicContact CB-CG 4.06Å; A232-L234 PolarHBondContact O-N 3.42Å; A232-L234 VanDerWaalsContact O-N 3.14Å
233	E	98.3	Very high	98.1	Very high	181 Å²	181	64.8 Å²	64.8	85%	0.846	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.6	27.7	-179.8	-56.7	-175.9	161	0	0	113.8	L229 R230 K231	L229-E233 PolarHBondContact O-N 2.89Å; R230-E233 PolarHBondContact O-N 3.42Å; R230-E233 VanDerWaalsContact O-N 3.1Å; K231-E233 PolarHBondContact O-N 2.88Å
234	L	98.5	Very high	98.1	Very high	14 Å²	14	66.4 Å²	66.4	7%	0.073	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-85.4	125.4	178.5	-65	175.3	0	0	0	110.4	P176 H204 M207 L229 A232	P176-L234 HydrophobicContact CG-CB 4.05Å; P176-L234 HydrophobicContact CG-CD1 4.04Å; H204-L234 HydrophobicContact CB-CD1 3.87Å; H204-L234 HydrophobicContact CB-CD2 4.45Å; M207-L234 HydrophobicContact CE-CD2 3.94Å; M207-L234 HydrophobicContact SD-CD2 4.45Å; L229-L234 HydrophobicContact CD2-CD1 4.35Å; L229-L234 PolarHBondContact O-N 3.33Å; A232-L234 HydrophobicContact CB-CD1 4.13Å; A232-L234 HydrophobicContact CB-CG 4.06Å; A232-L234 PolarHBondContact O-N 3.42Å; A232-L234 VanDerWaalsContact O-N 3.14Å
235	Q	98.3	Very high	98.1	Very high	122 Å²	122	67.8 Å²	67.8	57%	0.57	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-74.2	126.5	172.5	-177.1	170.8	-10.4	0	0	110.3	P176 F237	P176-Q235 WeakPolarHBondContact CD-O 3.31Å; Q235-F237 HydrophobicContact CB-CE2 3.85Å; Q235-F237 HydrophobicContact CB-CZ 4.12Å; Q235-F237 HydrophobicContact CG-CD2 4.41Å; Q235-F237 HydrophobicContact CG-CE1 4.31Å; Q235-F237 HydrophobicContact CG-CE2 3.8Å; Q235-F237 HydrophobicContact CG-CZ 3.75Å; Q235-F237 VanDerWaalsContact O-CD2 3.29Å; Q235-F237 WeakPolarHBondContact O-CD2 3.35Å; Q235-F237 WeakPolarHBondContact O-CE2 3.48Å
236	L	98.6	Very high	98.1	Very high	35 Å²	35	74.2 Å²	74.2	18%	0.183	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-85.3	127.7	175.2	-174.9	71.4	0	0	0	109.9	P176 H178 V194 L198 Y226 L229	P176-L236 HydrophobicContact CB-CD1 4.03Å; H178-L236 HydrophobicContact CB-CD1 4.02Å; H178-L236 HydrophobicContact CB-CG 4.45Å; V194-L236 HydrophobicContact CG1-CD1 4.26Å; V194-L236 HydrophobicContact CG1-CD2 3.66Å; L198-L236 HydrophobicContact CD1-CD1 4.06Å; Y226-L236 HydrophobicContact CD2-CD2 4.28Å; Y226-L236 HydrophobicContact CE2-CD2 4.09Å; L229-L236 HydrophobicContact CD1-CD1 3.98Å
237	F	98.8	Very high	98	Very high	63 Å²	63	79.9 Å²	79.9	28%	0.276	41%	0.41	S	S	.	.	B	Isolated β-bridge	trans	-108.4	155.1	175.3	-63.6	-90.9	0	0	0	110.8	E174 P176 F177 H178 Q235	E174-F237 HydrophobicContact CB-CD2 4.5Å; E174-F237 HydrophobicContact CB-CE2 3.73Å; E174-F237 HydrophobicContact CB-CZ 3.74Å; P176-F237 PolarHBondContact O-N 2.98Å; F177-F237 HydrophobicContact CD2-CB 3.67Å; F177-F237 HydrophobicContact CE2-CB 4.27Å; H178-F237 PolarHBondContact N-O 3.27Å; Q235-F237 HydrophobicContact CB-CE2 3.85Å; Q235-F237 HydrophobicContact CB-CZ 4.12Å; Q235-F237 HydrophobicContact CG-CD2 4.41Å; Q235-F237 HydrophobicContact CG-CE1 4.31Å; Q235-F237 HydrophobicContact CG-CE2 3.8Å; Q235-F237 HydrophobicContact CG-CZ 3.75Å; Q235-F237 VanDerWaalsContact O-CD2 3.29Å; Q235-F237 WeakPolarHBondContact O-CD2 3.35Å; Q235-F237 WeakPolarHBondContact O-CE2 3.48Å
238	R	98.7	Very high	98.1	Very high	73 Å²	73	76.6 Å²	76.6	28%	0.275	40%	0.397	S	S	.	.			trans	-142.1	157.3	179.5	-76.8	174	-178.3	159.7	-5.4	109.8	H178 K191 Y193	H178-R238 HydrophobicContact CB-CG 3.94Å; H178-R238 PolarHBondContact ND1-NE 3.19Å; K191-R238 PolarHBondContact O-NH1 3.15Å; K191-R238 PolarHBondContact O-NH2 2.96Å; Y193-R238 PolarHBondContact O-NH2 3.49Å
239	P	98.4	Very high	98.1	Very high	17 Å²	17	76 Å²	76	11%	0.11	40%	0.395	C	S	.	.			trans	-56.4	138.7	173.1	-23.4	31.6	0	0	0	112	L167 F177 H178 L184 I242	L167-P239 HydrophobicContact CD2-CB 4.15Å; L167-P239 HydrophobicContact CD2-CG 3.77Å; F177-P239 HydrophobicContact CE1-CG 3.98Å; F177-P239 HydrophobicContact CZ-CB 4.4Å; F177-P239 HydrophobicContact CZ-CG 3.84Å; H178-P239 WeakPolarHBondContact O-CD 3.35Å; L184-P239 HydrophobicContact CD1-CB 4.02Å; L184-P239 HydrophobicContact CD1-CG 4.07Å; P239-I242 HydrophobicContact CB-CD1 4.42Å; P239-I242 HydrophobicContact CB-CG1 3.6Å
240	S	97.4	Very high	98.1	Very high	110 Å²	110	79.9 Å²	79.9	77%	0.769	42%	0.416	S	S	*	.			trans	-118.2	147.5	173.3	58.1	0	0	0	0	110.3	I242	S240-I242 VanDerWaalsContact C-N 3.27Å; S240-I242 PolarHBondContact O-N 3.3Å
241	G	97.3	Very high	98.2	Very high	76 Å²	76	74.7 Å²	74.7	78%	0.784	40%	0.398	S	S	*	.	S	Bend	trans	74.1	13.5	176.3	0	0	0	0	0	114.9
242	I	98.3	Very high	98.2	Very high	31 Å²	31	69.3 Å²	69.3	16%	0.159	38%	0.376	C	S	.	.			trans	-79.4	120.7	174.7	-57.5	-59.1	0	0	0	109.6	A166 L167 L184 P239 S240 T244 T248	A166-I242 HydrophobicContact CB-CD1 3.76Å; L167-I242 HydrophobicContact CD2-CD1 4.41Å; L167-I242 HydrophobicContact CD2-CG1 4.35Å; L184-I242 HydrophobicContact CD1-CB 4.09Å; L184-I242 HydrophobicContact CD1-CG1 4.13Å; L184-I242 HydrophobicContact CD1-CG2 4.05Å; L184-I242 HydrophobicContact CD2-CB 3.9Å; L184-I242 HydrophobicContact CD2-CG2 3.62Å; L184-I242 HydrophobicContact CG-CG2 4.49Å; P239-I242 HydrophobicContact CB-CD1 4.42Å; P239-I242 HydrophobicContact CB-CG1 3.6Å; S240-I242 VanDerWaalsContact C-N 3.27Å; S240-I242 PolarHBondContact O-N 3.3Å; I242-T244 VanDerWaalsContact CG2-OG1 3.27Å; I242-T244 WeakPolarHBondContact CG2-OG1 3.08Å; I242-T248 HydrophobicContact CG2-CG2 4.15Å
243	T	98.1	Very high	98.1	Very high	134 Å²	134	69.7 Å²	69.7	82%	0.822	37%	0.374	S	S	*	.			trans	-101.6	-4.5	-174.3	55.7	0	0	0	0	114.1	G245	T243-G245 PolarHBondContact O-N 2.77Å
244	T	98.1	Very high	97.9	Very high	55 Å²	55	65.6 Å²	65.6	34%	0.337	36%	0.358	S	S	.	.			trans	-75.8	-7.7	-176.7	39.8	0	0	0	0	114.3	N164 I242 Y246 K247 T248	N164-T244 HydrophobicContact CB-CG2 4.45Å; N164-T244 WeakPolarHBondContact ND2-CG2 3.34Å; N164-T244 PolarHBondContact ND2-OG1 3.14Å; I242-T244 VanDerWaalsContact CG2-OG1 3.27Å; I242-T244 WeakPolarHBondContact CG2-OG1 3.08Å; T244-Y246 PolarHBondContact O-N 3.12Å; T244-K247 WeakPolarHBondContact O-CB 3.5Å; T244-K247 PolarHBondContact O-N 3.25Å; T244-K247 VanDerWaalsContact O-N 3.08Å; T244-T248 WeakPolarHBondContact CB-OG1 3.39Å; T244-T248 PolarHBondContact OG1-OG1 3.15Å
245	G	97.6	Very high	97.7	Very high	29 Å²	29	69 Å²	69	30%	0.299	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	53.6	-135.6	177.7	0	0	0	0	0	112.5	T243 K247 T248	T243-G245 PolarHBondContact O-N 2.77Å; G245-K247 PolarHBondContact O-N 2.88Å; G245-T248 VanDerWaalsContact O-CB 3.25Å; G245-T248 WeakPolarHBondContact O-CB 3.44Å; G245-T248 PolarHBondContact O-N 2.88Å; G245-T248 VanDerWaalsContact O-N 3.12Å; G245-T248 PolarHBondContact O-OG1 3.3Å
246	Y	98	Very high	97.6	Very high	135 Å²	135	66.6 Å²	66.6	53%	0.529	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-73.3	-2.8	179.2	-53.4	-35.8	0	0	0	114.8	H189 T244 T248	H189-Y246 AromaticContact CE1-CD1 3.92Å; H189-Y246 AromaticContact CE1-CE1 3.33Å; H189-Y246 WeakPolarHBondContact CE1-CE1 3.41Å; H189-Y246 AromaticContact CE1-CZ 3.52Å; H189-Y246 AromaticContact ND1-CE1 3.68Å; H189-Y246 AromaticContact ND1-CZ 3.98Å; T244-Y246 PolarHBondContact O-N 3.12Å; Y246-T248 VanDerWaalsContact C-N 3.31Å
247	K	98.2	Very high	97.4	Very high	174 Å²	174	73.5 Å²	73.5	76%	0.757	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-92.7	7.3	170.8	-60.6	-177.4	179.7	-179.9	0	112.4	T244 G245 F249	T244-K247 WeakPolarHBondContact O-CB 3.5Å; T244-K247 PolarHBondContact O-N 3.25Å; T244-K247 VanDerWaalsContact O-N 3.08Å; G245-K247 PolarHBondContact O-N 2.88Å; K247-F249 PolarHBondContact O-N 2.92Å
248	T	98.8	Very high	97.3	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	40%	0.396	C	S	.	.	S	Bend	trans	-63.7	-30.9	176.3	-60.4	0	0	0	0	112	L163 N164 L167 L184 I242 T244 G245 Y246	L163-T248 PolarHBondContact N-O 3.2Å; N164-T248 HydrophobicContact CB-CG2 4.15Å; L167-T248 HydrophobicContact CD1-CG2 3.82Å; L167-T248 HydrophobicContact CD2-CG2 4.02Å; L167-T248 HydrophobicContact CG-CG2 4.22Å; L184-T248 HydrophobicContact CB-CG2 4.22Å; L184-T248 HydrophobicContact CD1-CG2 4.24Å; I242-T248 HydrophobicContact CG2-CG2 4.15Å; T244-T248 WeakPolarHBondContact CB-OG1 3.39Å; T244-T248 PolarHBondContact OG1-OG1 3.15Å; G245-T248 VanDerWaalsContact O-CB 3.25Å; G245-T248 WeakPolarHBondContact O-CB 3.44Å; G245-T248 PolarHBondContact O-N 2.88Å; G245-T248 VanDerWaalsContact O-N 3.12Å; G245-T248 PolarHBondContact O-OG1 3.3Å; Y246-T248 VanDerWaalsContact C-N 3.31Å
249	F	98.8	Very high	97.3	Very high	7 Å²	7	75.8 Å²	75.8	3%	0.031	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	145.5	177.5	-57.2	-81.6	0	0	0	111	L160 L161 P162 L167 V179 A180 L184 I197 K247	L160-F249 HydrophobicContact CD1-CB 3.61Å; L160-F249 HydrophobicContact CD1-CG 4.09Å; L160-F249 HydrophobicContact CG-CB 4.11Å; L160-F249 HydrophobicContact CG-CD1 4.1Å; L160-F249 HydrophobicContact CG-CG 4.16Å; L161-F249 CarbonylContact O-C 3.57Å; L161-F249 WeakPolarHBondContact O-CA 3.39Å; P162-F249 HydrophobicContact CB-CD1 4.31Å; P162-F249 HydrophobicContact CB-CE1 4.14Å; L167-F249 HydrophobicContact CD1-CD1 4.47Å; L167-F249 HydrophobicContact CD1-CE1 3.59Å; L167-F249 HydrophobicContact CD1-CZ 3.72Å; L167-F249 HydrophobicContact CD2-CZ 4.36Å; V179-F249 HydrophobicContact CG1-CE1 4.08Å; V179-F249 HydrophobicContact CG1-CZ 3.96Å; V179-F249 WeakPolarHBondContact O-CZ 3.36Å; A180-F249 HydrophobicContact CB-CZ 4.44Å; L184-F249 HydrophobicContact CB-CD2 4.42Å; L184-F249 HydrophobicContact CB-CE2 3.79Å; I197-F249 HydrophobicContact CD1-CD1 4.04Å; I197-F249 HydrophobicContact CD1-CE1 3.66Å; I197-F249 HydrophobicContact CD1-CZ 4.5Å; K247-F249 PolarHBondContact O-N 2.92Å
250	L	98.6	Very high	97.2	Very high	83 Å²	83	78 Å²	78	44%	0.435	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	117.9	160	176.8	61.7	0	0	0	107.9	L161 L163 I252	L161-L250 HydrophobicContact CB-CB 4.32Å; L161-L250 HydrophobicContact CD1-CD2 4.37Å; L161-L250 PolarHBondContact N-O 3.29Å; L161-L250 PolarHBondContact O-N 3.14Å; L163-L250 HydrophobicContact CD1-CB 4.04Å; L163-L250 HydrophobicContact CD2-CB 4.08Å; L163-L250 HydrophobicContact CG-CB 4.14Å; L250-I252 HydrophobicContact CD2-CD1 4.19Å; L250-I252 HydrophobicContact CD2-CG1 4.04Å; L250-I252 HydrophobicContact CG-CG1 3.89Å
251	H	98.4	Very high	97.2	Very high	42 Å²	42	74.9 Å²	74.9	19%	0.194	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	100.8	175.1	-169	-161.3	0	0	0	110.2	D159 L160 P186 H253	D159-H251 VanDerWaalsContact CG-NE2 3.32Å; D159-H251 CarbonylContact O-C 3.52Å; D159-H251 WeakPolarHBondContact O-CA 3.38Å; D159-H251 PolarHBondContact O-CD2 3.47Å; D159-H251 IonicContact OD1-CD2 2.71Å; D159-H251 IonicContact OD1-NE2 3.77Å; D159-H251 PolarHBondContact OD1-NE2 3Å; D159-H251 IonicContact OD2-CD2 3.39Å; D159-H251 IonicContact OD2-NE2 3.54Å; D159-H251 PolarHBondContact OD2-NE2 3.01Å; D159-H251 VanDerWaalsContact OD2-NE2 3.15Å; L160-H251 HydrophobicContact CD1-CB 3.93Å; P186-H251 HydrophobicContact CG-CB 3.8Å; H251-H253 AromaticContact CE1-CG 3.92Å; H251-H253 WeakPolarHBondContact NE2-CB 3.3Å; H251-H253 AromaticContact NE2-CG 3.83Å; H251-H253 AromaticContact NE2-ND1 3.99Å; H251-H253 PolarHBondContact O-N 2.8Å
252	I	97.1	Very high	97.1	Very high	52 Å²	52	76.4 Å²	76.4	27%	0.267	38%	0.384	S	S	.	.			trans	-82.7	69.5	-178	-49.6	178.2	0	0	0	109	E101 V104 D159 L161 L250	E101-I252 HydrophobicContact CG-CB 4.37Å; E101-I252 HydrophobicContact CG-CG2 4.14Å; V104-I252 HydrophobicContact CB-CD1 4.32Å; V104-I252 HydrophobicContact CG1-CD1 4Å; D159-I252 WeakPolarHBondContact CB-O 3.21Å; D159-I252 PolarHBondContact O-N 2.99Å; L161-I252 HydrophobicContact CD1-CD1 3.71Å; L161-I252 HydrophobicContact CG-CD1 4.32Å; L250-I252 HydrophobicContact CD2-CD1 4.19Å; L250-I252 HydrophobicContact CD2-CG1 4.04Å; L250-I252 HydrophobicContact CG-CG1 3.89Å
253	H	95.1	Very high	97	Very high	31 Å²	31	80.3 Å²	80.3	14%	0.144	40%	0.4	C	S	.	.			trans	-140.2	94.7	-173.5	-170	104.1	0	0	0	111.1	D159 H251 P255 R258 R260	D159-H253 IonicContact OD2-CE1 2.67Å; D159-H253 IonicContact OD2-CG 3.53Å; D159-H253 IonicContact OD2-ND1 2.73Å; D159-H253 PolarHBondContact OD2-ND1 3.01Å; H251-H253 AromaticContact CE1-CG 3.92Å; H251-H253 WeakPolarHBondContact NE2-CB 3.3Å; H251-H253 AromaticContact NE2-CG 3.83Å; H251-H253 AromaticContact NE2-ND1 3.99Å; H251-H253 PolarHBondContact O-N 2.8Å; H253-P255 VanDerWaalsContact O-CD 3.3Å; H253-P255 WeakPolarHBondContact O-CD 3.39Å; H253-R258 PolarHBondContact CE1-O 3.33Å; H253-R258 PolarHBondContact NE2-O 2.78Å; H253-R260 PolarHBondContact NE2-NH1 3Å; H253-R260 VanDerWaalsContact NE2-NH1 3.18Å
254	D	95.6	Very high	96.8	Very high	95 Å²	95	77.1 Å²	77.1	51%	0.508	37%	0.373	S	S	.	.			trans	-76.5	113.3	167.1	-175.6	-29.2	0	0	0	108.9	A256 W257 R258	D254-A256 PolarHBondContact O-N 3.24Å; D254-A256 WeakPolarHBondContact OD1-CA 3.44Å; D254-A256 VanDerWaalsContact OD1-CB 3.29Å; D254-A256 WeakPolarHBondContact OD1-CB 3.48Å; D254-A256 PolarHBondContact OD1-N 2.02Å; D254-W257 HydrophobicContact CB-CB 4.12Å; D254-W257 PolarHBondContact O-N 3.44Å; D254-W257 PolarHBondContact OD1-N 3.11Å; D254-R258 WeakPolarHBondContact O-CB 3.44Å; D254-R258 PolarHBondContact O-N 2.8Å
255	P	94.6	Very high	96.4	Very high	86 Å²	86	75.7 Å²	75.7	56%	0.558	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-19.5	-177.2	29.1	-35.7	0	0	0	113.7	H253	H253-P255 VanDerWaalsContact O-CD 3.3Å; H253-P255 WeakPolarHBondContact O-CD 3.39Å
256	A	94.9	Very high	96	Very high	70 Å²	70	78.7 Å²	78.7	58%	0.579	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-39.2	175.4	0	0	0	0	0	111.4	D254 K259	D254-A256 PolarHBondContact O-N 3.24Å; D254-A256 WeakPolarHBondContact OD1-CA 3.44Å; D254-A256 VanDerWaalsContact OD1-CB 3.29Å; D254-A256 WeakPolarHBondContact OD1-CB 3.48Å; D254-A256 PolarHBondContact OD1-N 2.02Å; A256-K259 WeakPolarHBondContact O-CE 3.41Å
257	W	95.6	Very high	95.7	Very high	180 Å²	180	74.3 Å²	74.3	68%	0.682	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-48.1	178.7	-171.8	-115.1	0	0	0	112.4	D254 K259	D254-W257 HydrophobicContact CB-CB 4.12Å; D254-W257 PolarHBondContact O-N 3.44Å; D254-W257 PolarHBondContact OD1-N 3.11Å; W257-K259 PolarHBondContact O-N 3.3Å
258	R	96.6	Very high	95.5	Very high	23 Å²	23	66.6 Å²	66.6	9%	0.087	35%	0.345	C	S	.	.	S	Bend	trans	-97.4	62.3	-179	-57.7	-49.7	-162.5	-168.3	-0.8	111	E97 E100 E101 H253 D254 R260	E97-R258 PolarHBondContact O-NH1 3.4Å; E97-R258 VanDerWaalsContact O-NH1 3.16Å; E100-R258 IonicContact OE2-CZ 2.86Å; E100-R258 IonicContact OE2-NH2 3.88Å; E100-R258 PolarHBondContact OE2-NH2 3.03Å; E101-R258 VanDerWaalsContact CD-NH2 3.35Å; E101-R258 IonicContact OE1-CZ 3.88Å; E101-R258 IonicContact OE1-NE 3.33Å; E101-R258 PolarHBondContact OE1-NE 2.93Å; E101-R258 IonicContact OE1-NH2 2.87Å; E101-R258 PolarHBondContact OE1-NH2 3.43Å; E101-R258 IonicContact OE2-CZ 3.75Å; E101-R258 IonicContact OE2-NE 2.73Å; E101-R258 IonicContact OE2-NH2 3.74Å; E101-R258 PolarHBondContact OE2-NH2 3.14Å; H253-R258 PolarHBondContact CE1-O 3.33Å; H253-R258 PolarHBondContact NE2-O 2.78Å; D254-R258 WeakPolarHBondContact O-CB 3.44Å; D254-R258 PolarHBondContact O-N 2.8Å; R258-R260 PolarHBondContact O-N 3.36Å
259	K	97.1	Very high	95.2	Very high	162 Å²	162	73.5 Å²	73.5	70%	0.704	38%	0.375	S	S	*	.			trans	-56.9	128.4	-179.6	-65.4	-177.3	-176.6	175	0	110.9	A256 W257	A256-K259 WeakPolarHBondContact O-CE 3.41Å; W257-K259 PolarHBondContact O-N 3.3Å
260	R	97.3	Very high	94.8	Very high	64 Å²	64	79.8 Å²	79.8	24%	0.242	40%	0.404	C	S	.	.			trans	-73.4	131.9	172.5	-68.1	177.8	178.9	81.3	1.4	109.4	Y188 W218 H253 R258 Q262	Y188-R260 PolarHBondContact OH-NE 3.49Å; W218-R260 HydrophobicContact CB-CB 4.21Å; W218-R260 HydrophobicContact CD2-CB 4.37Å; W218-R260 HydrophobicContact CG-CB 3.95Å; W218-R260 HydrophobicContact CG-CG 4.17Å; H253-R260 PolarHBondContact NE2-NH1 3Å; H253-R260 VanDerWaalsContact NE2-NH1 3.18Å; R258-R260 PolarHBondContact O-N 3.36Å; R260-Q262 VanDerWaalsContact C-N 3.3Å; R260-Q262 HydrophobicContact CB-CG 3.68Å; R260-Q262 PolarHBondContact O-N 2.73Å
261	D	97.1	Very high	94.5	Very high	44 Å²	44	78.4 Å²	78.4	24%	0.235	40%	0.395	C	S	.	.			trans	-77.5	80.1	173.7	177.9	10	0	0	0	111	R132 W218	R132-D261 IonicContact CZ-OD1 3.8Å; R132-D261 IonicContact CZ-OD2 3.47Å; R132-D261 IonicContact NE-OD1 2.91Å; R132-D261 IonicContact NE-OD2 3.65Å; R132-D261 PolarHBondContact NE-OD2 2.83Å; R132-D261 PolarHBondContact NH2-O 3.35Å; R132-D261 IonicContact NH2-OD1 3.12Å; R132-D261 PolarHBondContact NH2-OD1 2.7Å; R132-D261 IonicContact NH2-OD2 2.67Å; R132-D261 PolarHBondContact NH2-OD2 3.2Å; W218-D261 WeakPolarHBondContact CB-O 3.48Å; W218-D261 PolarHBondContact N-O 3.46Å
262	Q	96.1	Very high	94.2	Very high	108 Å²	108	77.3 Å²	77.3	51%	0.505	39%	0.391	S	S	.	.			trans	-93	-2.6	-174.7	-58.3	-174.7	-49.1	0	0	113.7	W218 R260 R264	W218-Q262 HydrophobicContact CB-CG 4.43Å; W218-Q262 HydrophobicContact CD2-CG 4.22Å; W218-Q262 HydrophobicContact CE3-CG 3.7Å; W218-Q262 HydrophobicContact CZ3-CG 4.41Å; R260-Q262 VanDerWaalsContact C-N 3.3Å; R260-Q262 HydrophobicContact CB-CG 3.68Å; R260-Q262 PolarHBondContact O-N 2.73Å; Q262-R264 PolarHBondContact O-N 3.2Å; Q262-R264 PolarHBondContact O-NH1 2.94Å; Q262-R264 VanDerWaalsContact O-NH1 3.08Å
263	K	95.3	Very high	93.9	Very high	112 Å²	112	80.2 Å²	80.2	49%	0.487	40%	0.401	S	S	.	.			trans	-56.5	134	-178.6	-170.9	177.2	179.7	-177.6	0	109.4	R132 V265 Q268 S321	R132-K263 PolarHBondContact NH1-O 2.7Å; R132-K263 PolarHBondContact NH2-O 3.25Å; K263-V265 HydrophobicContact CG-CG2 4.44Å; K263-Q268 PolarHBondContact O-OE1 2.67Å; K263-S321 PolarHBondContact NZ-O 2.79Å
264	R	94.4	Very high	93.7	Very high	67 Å²	67	84 Å²	84	25%	0.253	42%	0.417	S	S	.	.			trans	-109.3	121.8	174	-62.2	-58.7	-174.1	-110.5	10.9	108.8	W218 Q262 K269	W218-R264 VanDerWaalsContact O-CZ 3.26Å; W218-R264 PolarHBondContact O-NH1 3.29Å; W218-R264 PolarHBondContact O-NH2 2.87Å; Q262-R264 PolarHBondContact O-N 3.2Å; Q262-R264 PolarHBondContact O-NH1 2.94Å; Q262-R264 VanDerWaalsContact O-NH1 3.08Å; R264-K269 HydrophobicContact CB-CB 4.32Å
265	V	89.7	Confident	93.2	Very high	25 Å²	25	82.3 Å²	82.3	15%	0.152	41%	0.41	C	S	.	.			trans	-103.3	118.5	-175.5	-177.4	0	0	0	0	109.7	K263 A267 Q268 W317	K263-V265 HydrophobicContact CG-CG2 4.44Å; V265-A267 PolarHBondContact O-N 3.36Å; V265-Q268 VanDerWaalsContact N-OE1 3.16Å; V265-Q268 WeakPolarHBondContact O-CB 3.37Å; V265-Q268 PolarHBondContact O-N 2.81Å; V265-W317 HydrophobicContact CB-CB 4.03Å
266	A	89.3	Confident	93.1	Very high	92 Å²	92	78.8 Å²	78.8	76%	0.76	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	45	-118.9	174.5	0	0	0	0	0	113.5	Q268 K269	A266-Q268 PolarHBondContact O-N 3.39Å; A266-Q268 VanDerWaalsContact O-N 3.17Å; A266-K269 PolarHBondContact O-N 3.17Å
267	A	91.9	Very high	92.5	Very high	44 Å²	44	80 Å²	80	36%	0.364	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.4	-177.9	0	0	0	0	0	113.9	V265 K269 Q270 E271 W317	V265-A267 PolarHBondContact O-N 3.36Å; A267-K269 PolarHBondContact O-N 3.38Å; A267-Q270 PolarHBondContact O-N 2.73Å; A267-E271 HydrophobicContact CB-CG 4.35Å; A267-E271 WeakPolarHBondContact O-CG 3.41Å; A267-E271 PolarHBondContact O-N 2.77Å; A267-W317 HydrophobicContact CB-CZ3 4.26Å
268	Q	93.7	Very high	92	Very high	11 Å²	11	77.2 Å²	77.2	5%	0.051	39%	0.387	C	S	.	.	H	α-helix	trans	-53.1	-34.5	179.2	-169.2	-177.1	27.7	0	0	112.3	W216 K263 V265 A266 Q270 E271 Q272 W317	W216-Q268 PolarHBondContact O-NE2 3.21Å; K263-Q268 PolarHBondContact O-OE1 2.67Å; V265-Q268 VanDerWaalsContact N-OE1 3.16Å; V265-Q268 WeakPolarHBondContact O-CB 3.37Å; V265-Q268 PolarHBondContact O-N 2.81Å; A266-Q268 PolarHBondContact O-N 3.39Å; A266-Q268 VanDerWaalsContact O-N 3.17Å; Q268-Q270 PolarHBondContact O-N 3.35Å; Q268-E271 PolarHBondContact O-N 3.26Å; Q268-Q272 WeakPolarHBondContact O-CB 3.44Å; Q268-Q272 WeakPolarHBondContact O-CG 3.15Å; Q268-Q272 PolarHBondContact O-N 2.67Å; Q268-Q272 VanDerWaalsContact O-N 3.12Å; Q268-W317 HydrophobicContact CB-CB 3.85Å; Q268-W317 HydrophobicContact CB-CD2 3.75Å; Q268-W317 HydrophobicContact CB-CE3 3.99Å; Q268-W317 HydrophobicContact CB-CG 3.68Å; Q268-W317 HydrophobicContact CG-CB 4.07Å; Q268-W317 HydrophobicContact CG-CD2 3.94Å; Q268-W317 HydrophobicContact CG-CG 3.63Å; Q268-W317 VanDerWaalsContact NE2-CD1 3.29Å
269	K	91.8	Very high	91.6	Very high	146 Å²	146	76.5 Å²	76.5	64%	0.635	39%	0.387	S	S	*	.	H	α-helix	trans	-60.1	-33	179.8	-171.3	177.2	180	-178.2	0	112.3	R264 A266 A267 Q272 F273	R264-K269 HydrophobicContact CB-CB 4.32Å; A266-K269 PolarHBondContact O-N 3.17Å; A267-K269 PolarHBondContact O-N 3.38Å; K269-Q272 PolarHBondContact O-NE2 3.16Å; K269-F273 WeakPolarHBondContact O-CD2 3.35Å; K269-F273 VanDerWaalsContact O-CE2 3.25Å; K269-F273 WeakPolarHBondContact O-CE2 3.36Å
270	Q	91.8	Very high	91.6	Very high	139 Å²	139	68.8 Å²	68.8	65%	0.65	35%	0.354	S	S	*	.	H	α-helix	trans	-92	-43.9	179.7	-63.8	174.7	-7.4	0	0	111.2	A267 Q268 Q272 F273	A267-Q270 PolarHBondContact O-N 2.73Å; Q268-Q270 PolarHBondContact O-N 3.35Å; Q270-Q272 VanDerWaalsContact C-N 3.29Å; Q270-Q272 PolarHBondContact O-N 3.31Å; Q270-F273 PolarHBondContact O-N 3.48Å
271	E	91.6	Very high	91.6	Very high	53 Å²	53	66 Å²	66	25%	0.248	34%	0.344	C	S	.	.	H	α-helix	trans	-63.1	-32.1	-176.5	-65.2	-54.4	125.6	0	0	113.2	A267 Q268 F273 K274 W317	A267-E271 HydrophobicContact CB-CG 4.35Å; A267-E271 WeakPolarHBondContact O-CG 3.41Å; A267-E271 PolarHBondContact O-N 2.77Å; Q268-E271 PolarHBondContact O-N 3.26Å; E271-F273 PolarHBondContact O-N 2.92Å; E271-K274 PolarHBondContact O-N 3.04Å; E271-K274 IonicContact OE1-NZ 3.21Å; E271-K274 PolarHBondContact OE1-NZ 2.71Å; E271-K274 WeakPolarHBondContact OE2-CD 3.25Å; E271-K274 IonicContact OE2-NZ 3.36Å; E271-K274 PolarHBondContact OE2-NZ 3.18Å; E271-W317 HydrophobicContact CB-CH2 3.86Å; E271-W317 HydrophobicContact CB-CZ2 4.19Å; E271-W317 HydrophobicContact CG-CH2 3.71Å; E271-W317 HydrophobicContact CG-CZ3 4.11Å
272	Q	91.4	Very high	91.6	Very high	20 Å²	20	68.6 Å²	68.6	9%	0.093	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-15.4	-177.8	72.4	-176.4	-39.8	0	0	115.1	F215 R220 Q268 K269 Q270	F215-Q272 HydrophobicContact CE1-CB 4.34Å; R220-Q272 HydrophobicContact CB-CB 4.18Å; R220-Q272 HydrophobicContact CG-CB 3.97Å; R220-Q272 HydrophobicContact CG-CG 4.08Å; Q268-Q272 WeakPolarHBondContact O-CB 3.44Å; Q268-Q272 WeakPolarHBondContact O-CG 3.15Å; Q268-Q272 PolarHBondContact O-N 2.67Å; Q268-Q272 VanDerWaalsContact O-N 3.12Å; K269-Q272 PolarHBondContact O-NE2 3.16Å; Q270-Q272 VanDerWaalsContact C-N 3.29Å; Q270-Q272 PolarHBondContact O-N 3.31Å
273	F	92.1	Very high	91.6	Very high	113 Å²	113	66.7 Å²	66.7	50%	0.496	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-10.1	179.5	-62.3	-74	0	0	0	113.1	R227 K269 Q270 E271	R227-F273 PolarHBondContact NH1-O 2.87Å; K269-F273 WeakPolarHBondContact O-CD2 3.35Å; K269-F273 VanDerWaalsContact O-CE2 3.25Å; K269-F273 WeakPolarHBondContact O-CE2 3.36Å; Q270-F273 PolarHBondContact O-N 3.48Å; E271-F273 PolarHBondContact O-N 2.92Å
274	K	89.8	Confident	91.7	Very high	109 Å²	109	61.7 Å²	61.7	47%	0.474	33%	0.333	S	S	.	.	S	Bend	trans	-81.9	154.3	179.8	-61.8	179.9	-174.5	170	0	110.3	R227 E271	R227-K274 PolarHBondContact NH1-O 3.41Å; R227-K274 PolarHBondContact NH2-O 3.08Å; E271-K274 PolarHBondContact O-N 3.04Å; E271-K274 IonicContact OE1-NZ 3.21Å; E271-K274 PolarHBondContact OE1-NZ 2.71Å; E271-K274 WeakPolarHBondContact OE2-CD 3.25Å; E271-K274 IonicContact OE2-NZ 3.36Å; E271-K274 PolarHBondContact OE2-NZ 3.18Å
275	V	86.1	Confident	91.9	Very high	60 Å²	60	64 Å²	64	36%	0.364	35%	0.347	S	S	.	.			trans	-80.2	134.1	165.5	179	0	0	0	0	105.4	R227 P277	R227-V275 HydrophobicContact CB-CG2 4.14Å; R227-V275 VanDerWaalsContact NH1-N 3.11Å; V275-P277 VanDerWaalsContact O-CD 3.25Å; V275-P277 WeakPolarHBondContact O-CD 3.49Å
276	D	90.8	Very high	92.4	Very high	13 Å²	13	65.3 Å²	65.3	7%	0.07	35%	0.349	C	S	.	.			trans	-77.9	110.2	174	174.8	10.8	0	0	0	108.3	S212 R214 E224 R228 D278 G279	S212-D276 WeakPolarHBondContact CB-OD2 3.4Å; S212-D276 WeakPolarHBondContact OG-CB 3.3Å; S212-D276 PolarHBondContact OG-OD2 2.83Å; R214-D276 WeakPolarHBondContact CD-OD1 3.31Å; R214-D276 WeakPolarHBondContact CD-OD2 2.93Å; R214-D276 WeakPolarHBondContact CG-OD2 3.24Å; E224-D276 PolarHBondContact OE1-N 3.35Å; R228-D276 PolarHBondContact NH2-O 2.94Å; R228-D276 IonicContact NH2-OD2 3.48Å; D276-D278 VanDerWaalsContact C-N 3.33Å; D276-D278 PolarHBondContact OD1-N 3.38Å; D276-G279 WeakPolarHBondContact OD1-CA 3.37Å; D276-G279 PolarHBondContact OD1-N 3.21Å; D276-G279 WeakPolarHBondContact OD2-CA 3.46Å
277	P	83.9	Confident	92.8	Very high	96 Å²	96	66.4 Å²	66.4	62%	0.623	34%	0.339	S	S	*	.	S	Bend	trans	-74.5	-27.5	-172	29.5	-32.3	0	0	0	112.5	V275	V275-P277 VanDerWaalsContact O-CD 3.25Å; V275-P277 WeakPolarHBondContact O-CD 3.49Å
278	D	84.7	Confident	93.1	Very high	120 Å²	120	65.7 Å²	65.7	64%	0.642	33%	0.33	S	S	*	.	S	Bend	trans	-116.5	-33	-165.3	-54.4	-42.9	0	0	0	112.2	D276 N283	D276-D278 VanDerWaalsContact C-N 3.33Å; D276-D278 PolarHBondContact OD1-N 3.38Å; D278-N283 PolarHBondContact O-ND2 2.66Å
279	G	87.8	Confident	93.4	Very high	8 Å²	8	68.9 Å²	68.9	8%	0.082	35%	0.347	C	S	.	.			trans	-76.8	148.4	-176.6	0	0	0	0	0	114.1	R228 D276 N283	R228-G279 VanDerWaalsContact CZ-O 3.27Å; R228-G279 PolarHBondContact NH1-O 3.26Å; R228-G279 PolarHBondContact NH2-O 2.73Å; D276-G279 WeakPolarHBondContact OD1-CA 3.37Å; D276-G279 PolarHBondContact OD1-N 3.21Å; D276-G279 WeakPolarHBondContact OD2-CA 3.46Å; G279-N283 WeakPolarHBondContact CA-ND2 3.1Å; G279-N283 WeakPolarHBondContact CA-OD1 3.09Å
280	G	97	Very high	93.7	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.329	C	S	.	.	S	Bend	trans	167.1	-154.5	176	0	0	0	0	0	114.2	N209 M211 N213 T282 N283 L284	N209-G280 CarbonylContact O-C 3.44Å; N209-G280 VanDerWaalsContact O-CA 3.23Å; N209-G280 WeakPolarHBondContact O-CA 3.35Å; M211-G280 WeakPolarHBondContact O-CA 3.41Å; N213-G280 PolarHBondContact ND2-O 3.18Å; G280-T282 VanDerWaalsContact C-N 3.32Å; G280-T282 PolarHBondContact O-N 2.81Å; G280-N283 PolarHBondContact N-OD1 3.37Å; G280-N283 PolarHBondContact O-OD1 2.99Å; G280-N283 VanDerWaalsContact O-OD1 3.11Å; G280-L284 PolarHBondContact O-N 2.73Å; G280-L284 VanDerWaalsContact O-N 3.15Å
281	L	97.6	Very high	94	Very high	7 Å²	7	64 Å²	64	4%	0.037	32%	0.324	C	S	.	.	S	Bend	trans	-59.2	-40.5	177.9	179.8	64.8	0	0	0	112.7	N140 F143 K144 Y205 N209 N283	N140-L281 HydrophobicContact CB-CD1 4.16Å; F143-L281 HydrophobicContact CB-CD1 4.49Å; F143-L281 HydrophobicContact CD1-CD1 3.68Å; F143-L281 HydrophobicContact CD1-CD2 3.7Å; F143-L281 HydrophobicContact CD1-CG 4.33Å; F143-L281 HydrophobicContact CE1-CD1 4.32Å; F143-L281 HydrophobicContact CE1-CD2 3.53Å; F143-L281 HydrophobicContact CG-CD1 4.33Å; F143-L281 HydrophobicContact CG-CD2 4.47Å; F143-L281 HydrophobicContact CZ-CD2 4.13Å; K144-L281 HydrophobicContact CD-CD1 4.33Å; K144-L281 WeakPolarHBondContact CE-O 3.43Å; K144-L281 HydrophobicContact CG-CD1 3.79Å; K144-L281 PolarHBondContact NZ-O 3.19Å; K144-L281 VanDerWaalsContact NZ-O 3.11Å; Y205-L281 HydrophobicContact CD1-CD2 4.32Å; Y205-L281 HydrophobicContact CE1-CD2 4.45Å; N209-L281 PolarHBondContact O-N 3.03Å; N209-L281 PolarHBondContact OD1-N 2.99Å; L281-N283 PolarHBondContact O-N 3.32Å
282	T	97.1	Very high	94.3	Very high	98 Å²	98	66.5 Å²	66.5	60%	0.601	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-32.7	-174.3	50	0	0	0	0	113.7	N209 G280	N209-T282 PolarHBondContact ND2-OG1 3.23Å; N209-T282 VanDerWaalsContact ND2-OG1 3.15Å; N209-T282 VanDerWaalsContact OD1-CG2 3.28Å; N209-T282 WeakPolarHBondContact OD1-CG2 3.46Å; N209-T282 PolarHBondContact OD1-N 2.77Å; N209-T282 PolarHBondContact OD1-OG1 3.48Å; N209-T282 VanDerWaalsContact OD1-OG1 3.08Å; G280-T282 VanDerWaalsContact C-N 3.32Å; G280-T282 PolarHBondContact O-N 2.81Å
283	N	96.3	Very high	94.6	Very high	67 Å²	67	72.5 Å²	72.5	36%	0.358	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	16.2	-179.8	65.8	3.4	0	0	0	113.8	N213 D278 G279 G280 L281 Q285	N213-N283 PolarHBondContact ND2-OD1 3.23Å; D278-N283 PolarHBondContact O-ND2 2.66Å; G279-N283 WeakPolarHBondContact CA-ND2 3.1Å; G279-N283 WeakPolarHBondContact CA-OD1 3.09Å; G280-N283 PolarHBondContact N-OD1 3.37Å; G280-N283 PolarHBondContact O-OD1 2.99Å; G280-N283 VanDerWaalsContact O-OD1 3.11Å; L281-N283 PolarHBondContact O-N 3.32Å; N283-Q285 PolarHBondContact O-N 3.23Å
284	L	98.1	Very high	94.8	Very high	8 Å²	8	70.3 Å²	70.3	4%	0.042	36%	0.357	C	S	.	.			trans	-58.7	121.6	170	176.5	73.1	0	0	0	110.4	N140 V141 K144 N213 G280 Y286 L308	N140-L284 HydrophobicContact CB-CD1 4.2Å; N140-L284 HydrophobicContact CB-CD2 3.54Å; N140-L284 HydrophobicContact CB-CG 4.31Å; V141-L284 HydrophobicContact CB-CD2 4.41Å; V141-L284 HydrophobicContact CG2-CD1 4.42Å; V141-L284 HydrophobicContact CG2-CD2 3.59Å; V141-L284 HydrophobicContact CG2-CG 4.4Å; K144-L284 HydrophobicContact CD-CD2 4.16Å; N213-L284 WeakPolarHBondContact OD1-CD1 3.45Å; G280-L284 PolarHBondContact O-N 2.73Å; G280-L284 VanDerWaalsContact O-N 3.15Å; L284-Y286 HydrophobicContact CD2-CD1 3.75Å; L284-Y286 HydrophobicContact CD2-CE1 3.93Å; L284-Y286 HydrophobicContact CG-CD1 3.87Å; L284-Y286 HydrophobicContact CG-CE1 4.44Å; L284-L308 HydrophobicContact CD1-CD2 4.49Å
285	Q	98.1	Very high	95.2	Very high	116 Å²	116	69 Å²	69	54%	0.542	36%	0.359	S	S	.	.			trans	-106.5	122.2	174.1	-60.9	-61	-17.3	0	0	110.2	N283 E309	N283-Q285 PolarHBondContact O-N 3.23Å; Q285-E309 HydrophobicContact CB-CB 3.81Å; Q285-E309 HydrophobicContact CB-CG 4.11Å; Q285-E309 PolarHBondContact O-N 3.39Å; Q285-E309 VanDerWaalsContact O-N 3.17Å
286	Y	98.7	Very high	95.7	Very high	52 Å²	52	66.8 Å²	66.8	20%	0.204	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	160.8	-179.3	74.6	-70.3	0	0	0	111.1	V141 K144 E145 L284 V288 T306 K307	V141-Y286 HydrophobicContact CB-CD2 4.37Å; V141-Y286 HydrophobicContact CB-CE2 4.36Å; V141-Y286 HydrophobicContact CG1-CD2 3.85Å; V141-Y286 HydrophobicContact CG1-CE2 3.65Å; V141-Y286 HydrophobicContact CG2-CD1 4.03Å; V141-Y286 HydrophobicContact CG2-CD2 3.62Å; V141-Y286 HydrophobicContact CG2-CE1 4.41Å; V141-Y286 HydrophobicContact CG2-CE2 4.02Å; V141-Y286 HydrophobicContact CG2-CG 3.62Å; K144-Y286 HydrophobicContact CD-CE1 3.79Å; E145-Y286 HydrophobicContact CG-CE2 4.39Å; E145-Y286 WeakPolarHBondContact OE1-CE2 3.47Å; E145-Y286 PolarHBondContact OE1-OH 2.9Å; L284-Y286 HydrophobicContact CD2-CD1 3.75Å; L284-Y286 HydrophobicContact CD2-CE1 3.93Å; L284-Y286 HydrophobicContact CG-CD1 3.87Å; L284-Y286 HydrophobicContact CG-CE1 4.44Å; Y286-V288 HydrophobicContact CD2-CG2 4.17Å; Y286-V288 HydrophobicContact CE2-CG2 3.68Å; Y286-T306 HydrophobicContact CD2-CG2 4.1Å; Y286-K307 CarbonylContact C-O 3.56Å; Y286-K307 VanDerWaalsContact CA-O 3.24Å; Y286-K307 WeakPolarHBondContact CA-O 3.19Å; Y286-K307 WeakPolarHBondContact CB-O 3.32Å
287	Q	98.7	Very high	96	Very high	115 Å²	115	71.5 Å²	71.5	54%	0.537	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	134.9	170	-176.5	-175.9	14.7	0	0	109.6	K307	Q287-K307 HydrophobicContact CB-CB 4.39Å; Q287-K307 PolarHBondContact N-O 2.97Å; Q287-K307 PolarHBondContact O-N 2.92Å
288	V	98.7	Very high	96.5	Very high	29 Å²	29	69.4 Å²	69.4	18%	0.176	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	113.8	165.4	-179.7	0	0	0	0	108.5	E145 Y286 R291 I304	E145-V288 HydrophobicContact CG-CG2 4.49Å; Y286-V288 HydrophobicContact CD2-CG2 4.17Å; Y286-V288 HydrophobicContact CE2-CG2 3.68Å; V288-R291 HydrophobicContact CG1-CG 3.86Å; V288-I304 HydrophobicContact CG1-CG2 3.74Å; V288-I304 HydrophobicContact CG2-CG2 4.01Å
289	D	98.4	Very high	97.1	Very high	78 Å²	78	63.8 Å²	63.8	42%	0.417	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	-43.2	178.4	-176	84	0	0	0	111.1	V128 N305 K307	V128-D289 HydrophobicContact CG2-CB 4.32Å; D289-N305 HydrophobicContact CB-CB 4.13Å; D289-N305 PolarHBondContact N-O 3.48Å; D289-K307 HydrophobicContact CB-CD 4.48Å; D289-K307 WeakPolarHBondContact OD1-CE 3.3Å; D289-K307 IonicContact OD1-NZ 3.5Å; D289-K307 PolarHBondContact OD1-NZ 3.37Å
290	S	98.6	Very high	97.6	Very high	36 Å²	36	65.4 Å²	65.4	25%	0.252	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	158.5	176.5	43.5	0	0	0	0	112.1	N305	S290-N305 PolarHBondContact O-N 2.9Å; S290-N305 WeakPolarHBondContact OG-CB 3.34Å; S290-N305 PolarHBondContact OG-ND2 3.27Å
291	R	98.5	Very high	97.7	Very high	145 Å²	145	65.5 Å²	65.5	55%	0.547	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	131.7	172.5	-63.5	-178.7	-178.2	78	-2.7	108.7	E145 V288 I303 I304	E145-R291 IonicContact OE1-NH2 2.72Å; E145-R291 IonicContact OE2-CZ 2.83Å; E145-R291 IonicContact OE2-NE 2.71Å; E145-R291 PolarHBondContact OE2-NE 3Å; E145-R291 IonicContact OE2-NH2 2.82Å; E145-R291 PolarHBondContact OE2-NH2 3.32Å; V288-R291 HydrophobicContact CG1-CG 3.86Å; R291-I303 WeakPolarHBondContact CA-O 3.5Å; R291-I304 HydrophobicContact CG-CG1 4.49Å; R291-I304 HydrophobicContact CG-CG2 4.49Å
292	Q	98.1	Very high	97.7	Very high	106 Å²	106	65.9 Å²	65.9	50%	0.495	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	122.3	-178.9	-64	178.9	-2	0	0	109.7	T302 I303	Q292-T302 WeakPolarHBondContact O-CA 3.48Å; Q292-I303 HydrophobicContact CB-CB 4.49Å; Q292-I303 PolarHBondContact N-O 3.4Å; Q292-I303 PolarHBondContact O-N 2.95Å
293	E	97.7	Very high	97.8	Very high	147 Å²	147	62.4 Å²	62.4	69%	0.687	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	125	168.3	-58.8	-56.2	151.4	0	0	108.8	T302	E293-T302 VanDerWaalsContact OE1-CG2 3.26Å; E293-T302 WeakPolarHBondContact OE1-CG2 3.29Å; E293-T302 PolarHBondContact OE1-OG1 3.33Å; E293-T302 PolarHBondContact OE2-OG1 3.5Å
294	L	95.9	Very high	97.9	Very high	67 Å²	67	59.4 Å²	59.4	35%	0.351	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	145.7	-177.6	-176	67.7	0	0	0	110	I296 P300 C301 I303	L294-I296 HydrophobicContact CD2-CD1 3.83Å; L294-I296 HydrophobicContact CD2-CG1 3.69Å; L294-I296 HydrophobicContact CG-CG1 4.01Å; L294-P300 CarbonylContact O-C 3.6Å; L294-P300 WeakPolarHBondContact O-CA 3.27Å; L294-C301 PolarHBondContact N-O 2.97Å; L294-C301 PolarHBondContact O-N 3.27Å; L294-I303 HydrophobicContact CB-CD1 4.47Å; L294-I303 HydrophobicContact CD2-CD1 3.74Å
295	T	97.4	Very high	97.9	Very high	82 Å²	82	60 Å²	60	50%	0.503	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	121.2	168.4	-60.3	0	0	0	0	109.1	G298 A299	T295-G298 VanDerWaalsContact CG2-C 3.48Å; T295-G298 VanDerWaalsContact CG2-CA 3.43Å; T295-A299 WeakPolarHBondContact CA-O 3.34Å
296	I	97.6	Very high	98	Very high	12 Å²	12	54.5 Å²	54.5	6%	0.062	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	111.5	176.6	-57.9	-179.5	0	0	0	107.5	L102 L103 V106 P107 L294 G298 A299	L102-I296 HydrophobicContact CD2-CD1 4.29Å; L102-I296 HydrophobicContact CG-CD1 4.08Å; L103-I296 HydrophobicContact CD2-CD1 4.48Å; L103-I296 HydrophobicContact CD2-CG2 3.9Å; V106-I296 HydrophobicContact CB-CB 4.24Å; V106-I296 HydrophobicContact CB-CD1 4.05Å; V106-I296 HydrophobicContact CG1-CB 4.08Å; V106-I296 HydrophobicContact CG1-CD1 4.37Å; V106-I296 HydrophobicContact CG1-CG1 4.46Å; V106-I296 HydrophobicContact CG2-CD1 3.94Å; P107-I296 HydrophobicContact CG-CG2 4.44Å; L294-I296 HydrophobicContact CD2-CD1 3.83Å; L294-I296 HydrophobicContact CD2-CG1 3.69Å; L294-I296 HydrophobicContact CG-CG1 4.01Å; I296-G298 PolarHBondContact O-N 2.99Å; I296-A299 PolarHBondContact N-O 3.39Å; I296-A299 WeakPolarHBondContact O-CB 3.4Å; I296-A299 PolarHBondContact O-N 3.43Å
297	S	96.4	Very high	98	Very high	113 Å²	113	55.7 Å²	55.7	79%	0.79	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	42.2	-179.2	-57.8	0	0	0	0	113.4	A299	S297-A299 VanDerWaalsContact C-N 3.29Å; S297-A299 PolarHBondContact O-N 2.92Å
298	G	94.8	Very high	98	Very high	52 Å²	52	50.6 Å²	50.6	54%	0.536	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	-8.7	-179.2	0	0	0	0	0	115.4	T295 I296	T295-G298 VanDerWaalsContact CG2-C 3.48Å; T295-G298 VanDerWaalsContact CG2-CA 3.43Å; I296-G298 PolarHBondContact O-N 2.99Å
299	A	97.7	Very high	97.9	Very high	2 Å²	2	55 Å²	55	2%	0.017	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	121.8	177.1	0	0	0	0	0	111.4	V106 P107 H110 T295 I296 S297	V106-A299 HydrophobicContact CG1-CB 3.82Å; P107-A299 HydrophobicContact CB-CB 4.29Å; H110-A299 HydrophobicContact CB-CB 3.54Å; T295-A299 WeakPolarHBondContact CA-O 3.34Å; I296-A299 PolarHBondContact N-O 3.39Å; I296-A299 WeakPolarHBondContact O-CB 3.4Å; I296-A299 PolarHBondContact O-N 3.43Å; S297-A299 VanDerWaalsContact C-N 3.29Å; S297-A299 PolarHBondContact O-N 2.92Å
300	P	97.7	Very high	97.9	Very high	42 Å²	42	52.1 Å²	52.1	27%	0.273	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	143.1	179.6	31.4	-34.3	0	0	0	111.8	L294	L294-P300 CarbonylContact O-C 3.6Å; L294-P300 WeakPolarHBondContact O-CA 3.27Å
301	C	98.5	Very high	97.7	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.014	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	156.5	169.5	66.4	0	0	0	0	110.4	V106 I122 I124 L294	V106-C301 HydrophobicContact CG1-CB 4Å; V106-C301 HydrophobicContact CG2-CB 4.31Å; I122-C301 HydrophobicContact CB-CB 3.85Å; I122-C301 HydrophobicContact CG2-CB 3.88Å; I122-C301 WeakPolarHBondContact O-CA 3.34Å; I124-C301 HydrophobicContact CG1-CB 4.39Å; L294-C301 PolarHBondContact N-O 2.97Å; L294-C301 PolarHBondContact O-N 3.27Å
302	T	98.7	Very high	97.5	Very high	15 Å²	15	51.8 Å²	51.8	9%	0.092	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	123.9	174.6	-46.6	0	0	0	0	109.1	I122 I124 Q292 E293 I304	I122-T302 PolarHBondContact O-N 2.89Å; I124-T302 PolarHBondContact N-O 3.21Å; Q292-T302 WeakPolarHBondContact O-CA 3.48Å; E293-T302 VanDerWaalsContact OE1-CG2 3.26Å; E293-T302 WeakPolarHBondContact OE1-CG2 3.29Å; E293-T302 PolarHBondContact OE1-OG1 3.33Å; E293-T302 PolarHBondContact OE2-OG1 3.5Å; T302-I304 HydrophobicContact CG2-CG1 4.15Å
303	I	98.8	Very high	97.3	Very high	24 Å²	24	51.8 Å²	51.8	12%	0.123	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	125.9	171.3	-56.7	179.5	0	0	0	108.7	I124 N126 R291 Q292 L294	I124-I303 HydrophobicContact CB-CG1 4.11Å; I124-I303 HydrophobicContact CG1-CG1 4.36Å; N126-I303 HydrophobicContact CB-CG2 4.04Å; R291-I303 WeakPolarHBondContact CA-O 3.5Å; Q292-I303 HydrophobicContact CB-CB 4.49Å; Q292-I303 PolarHBondContact N-O 3.4Å; Q292-I303 PolarHBondContact O-N 2.95Å; L294-I303 HydrophobicContact CB-CD1 4.47Å; L294-I303 HydrophobicContact CD2-CD1 3.74Å
304	I	98.9	Very high	97.1	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.021	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	101.4	178	-53.9	-176.8	0	0	0	108.1	L123 I124 I125 N126 E145 V288 R291 T302 T306	L123-I304 HydrophobicContact CD2-CD1 4.36Å; I124-I304 PolarHBondContact O-N 3.43Å; I125-I304 HydrophobicContact CD1-CB 4.24Å; I125-I304 HydrophobicContact CD1-CD1 4.04Å; I125-I304 HydrophobicContact CD1-CG1 4.43Å; N126-I304 PolarHBondContact N-O 2.97Å; E145-I304 HydrophobicContact CB-CD1 3.58Å; E145-I304 HydrophobicContact CG-CD1 4.09Å; E145-I304 HydrophobicContact CG-CG2 4.47Å; V288-I304 HydrophobicContact CG1-CG2 3.74Å; V288-I304 HydrophobicContact CG2-CG2 4.01Å; R291-I304 HydrophobicContact CG-CG1 4.49Å; R291-I304 HydrophobicContact CG-CG2 4.49Å; T302-I304 HydrophobicContact CG2-CG1 4.15Å; I304-T306 PolarHBondContact O-N 3.49Å; I304-T306 PolarHBondContact O-OG1 2.95Å; I304-T306 VanDerWaalsContact O-OG1 3.04Å
305	N	98.9	Very high	97.1	Very high	21 Å²	21	46.8 Å²	46.8	11%	0.112	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	117.6	175.7	-70.5	-27.6	0	0	0	108.9	N126 V128 D289 S290	N126-N305 WeakPolarHBondContact CB-OD1 3.34Å; N126-N305 PolarHBondContact ND2-OD1 2.97Å; V128-N305 HydrophobicContact CG1-CB 3.9Å; V128-N305 HydrophobicContact CG2-CB 4.29Å; D289-N305 HydrophobicContact CB-CB 4.13Å; D289-N305 PolarHBondContact N-O 3.48Å; S290-N305 PolarHBondContact O-N 2.9Å; S290-N305 WeakPolarHBondContact OG-CB 3.34Å; S290-N305 PolarHBondContact OG-ND2 3.27Å
306	T	98.8	Very high	97	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	126.5	-165.8	-60.4	0	0	0	0	109.8	N126 Q127 V128 L138 V141 Y286 I304 L308	N126-T306 PolarHBondContact O-N 3.46Å; Q127-T306 WeakPolarHBondContact CA-O 3.45Å; V128-T306 WeakPolarHBondContact CG2-O 3.38Å; V128-T306 PolarHBondContact N-O 3.33Å; L138-T306 HydrophobicContact CD2-CG2 4.27Å; V141-T306 HydrophobicContact CB-CG2 4.37Å; V141-T306 HydrophobicContact CG1-CG2 3.93Å; V141-T306 HydrophobicContact CG2-CG2 3.9Å; Y286-T306 HydrophobicContact CD2-CG2 4.1Å; I304-T306 PolarHBondContact O-N 3.49Å; I304-T306 PolarHBondContact O-OG1 2.95Å; I304-T306 VanDerWaalsContact O-OG1 3.04Å; T306-L308 HydrophobicContact CG2-CD2 3.98Å; T306-L308 HydrophobicContact CG2-CG 4.41Å
307	K	98.8	Very high	96.9	Very high	78 Å²	78	46.2 Å²	46.2	34%	0.339	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	112	168.5	-69.3	171.5	173.6	158.6	0	108.2	V128 D129 Y286 Q287 D289	V128-K307 HydrophobicContact CG2-CG 3.69Å; D129-K307 HydrophobicContact CB-CB 4.46Å; Y286-K307 CarbonylContact C-O 3.56Å; Y286-K307 VanDerWaalsContact CA-O 3.24Å; Y286-K307 WeakPolarHBondContact CA-O 3.19Å; Y286-K307 WeakPolarHBondContact CB-O 3.32Å; Q287-K307 HydrophobicContact CB-CB 4.39Å; Q287-K307 PolarHBondContact N-O 2.97Å; Q287-K307 PolarHBondContact O-N 2.92Å; D289-K307 HydrophobicContact CB-CD 4.48Å; D289-K307 WeakPolarHBondContact OD1-CE 3.3Å; D289-K307 IonicContact OD1-NZ 3.5Å; D289-K307 PolarHBondContact OD1-NZ 3.37Å
308	L	98.7	Very high	96.9	Very high	7 Å²	7	40.9 Å²	40.9	4%	0.037	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	143.5	171.8	-61.5	177.7	0	0	0	109.9	Q127 D129 Y131 N134 L138 V141 W216 L284 T306	Q127-L308 HydrophobicContact CG-CD1 4.14Å; Q127-L308 HydrophobicContact CG-CG 4.36Å; D129-L308 PolarHBondContact OD2-N 3.46Å; Y131-L308 WeakPolarHBondContact CE2-O 3.41Å; N134-L308 HydrophobicContact CB-CD1 3.76Å; L138-L308 HydrophobicContact CD2-CD1 4.11Å; L138-L308 HydrophobicContact CD2-CD2 4.49Å; L138-L308 HydrophobicContact CD2-CG 4.35Å; L138-L308 HydrophobicContact CG-CD1 4.32Å; V141-L308 HydrophobicContact CG2-CD2 3.94Å; W216-L308 HydrophobicContact CH2-CB 3.83Å; W216-L308 HydrophobicContact CH2-CD1 4.15Å; W216-L308 HydrophobicContact CZ3-CB 4.37Å; W216-L308 HydrophobicContact CZ3-CD1 4.15Å; L284-L308 HydrophobicContact CD1-CD2 4.49Å; T306-L308 HydrophobicContact CG2-CD2 3.98Å; T306-L308 HydrophobicContact CG2-CG 4.41Å
309	E	97.8	Very high	96.9	Very high	121 Å²	121	41.5 Å²	41.5	57%	0.565	22%	0.223	S	C	*	.			trans	-89.4	145.5	169.8	-61.1	-170.8	178.3	0	0	110.8	Q285	Q285-E309 HydrophobicContact CB-CB 3.81Å; Q285-E309 HydrophobicContact CB-CG 4.11Å; Q285-E309 PolarHBondContact O-N 3.39Å; Q285-E309 VanDerWaalsContact O-N 3.17Å
310	C	96.7	Very high	96.1	Very high	18 Å²	18	46.4 Å²	46.4	12%	0.122	25%	0.248	C	C	.	.			trans	-123.9	119.4	172.4	173.2	0	0	0	0	110.7	Y131 W216 Q312 T315 C318	Y131-C310 HydrophobicContact CD1-CB 4Å; Y131-C310 HydrophobicContact CD2-CB 4.06Å; Y131-C310 HydrophobicContact CE1-CB 3.74Å; Y131-C310 HydrophobicContact CE2-CB 3.8Å; Y131-C310 HydrophobicContact CG-CB 4.17Å; W216-C310 HydrophobicContact CH2-CB 4.21Å; W216-C310 HydrophobicContact CZ2-CB 3.82Å; C310-Q312 PolarHBondContact O-N 3.27Å; C310-T315 PolarHBondContact SG-O 3.29Å; C310-C318 HydrophobicContact CB-CB 3.73Å; C310-C318 WeakPolarHBondContact CB-SG 3.38Å; C310-C318 WeakPolarHBondContact SG-CB 3.33Å; C310-C318 CovalentContact SG-SG 2.02Å; C310-C318 PolarHBondContact SG-SG 2.98Å
311	D	95.4	Very high	94.3	Very high	74 Å²	74	50.1 Å²	50.1	40%	0.396	28%	0.276	S	S	.	.			trans	-77.8	98.4	162.6	-177.1	-8.4	0	0	0	109.3	S313 Q314 T315	D311-S313 VanDerWaalsContact CG-OG 3.31Å; D311-S313 PolarHBondContact O-N 3.39Å; D311-S313 VanDerWaalsContact OD1-CB 3.28Å; D311-S313 WeakPolarHBondContact OD1-CB 3.32Å; D311-S313 PolarHBondContact OD1-N 3.23Å; D311-S313 PolarHBondContact OD1-OG 3.11Å; D311-S313 PolarHBondContact OD2-OG 3.48Å; D311-Q314 HydrophobicContact CB-CB 4.39Å; D311-Q314 PolarHBondContact O-N 3.24Å; D311-Q314 VanDerWaalsContact O-N 3.09Å; D311-Q314 WeakPolarHBondContact OD2-CG 3.37Å; D311-Q314 PolarHBondContact OD2-NE2 3.43Å; D311-T315 PolarHBondContact O-N 3Å; D311-T315 PolarHBondContact O-OG1 3.45Å
312	Q	94.6	Very high	94.1	Very high	101 Å²	101	52.6 Å²	52.6	47%	0.472	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-17.3	-179.3	-66.1	-178.9	50.6	0	0	113.1	C310 Q314 P316 L319	C310-Q312 PolarHBondContact O-N 3.27Å; Q312-Q314 VanDerWaalsContact C-N 3.28Å; Q312-P316 WeakPolarHBondContact O-CA 3.35Å; Q312-P316 VanDerWaalsContact O-CB 3.31Å; Q312-P316 WeakPolarHBondContact O-CB 3.32Å; Q312-P316 VanDerWaalsContact O-CD 3.3Å; Q312-P316 WeakPolarHBondContact O-CD 3.48Å; Q312-L319 HydrophobicContact CG-CD1 4.48Å; Q312-L319 VanDerWaalsContact OE1-CD1 3.31Å
313	S	94.3	Very high	93.8	Very high	105 Å²	105	54.5 Å²	54.5	73%	0.734	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-29.2	173	77.9	0	0	0	0	111.6	D311	D311-S313 VanDerWaalsContact CG-OG 3.31Å; D311-S313 PolarHBondContact O-N 3.39Å; D311-S313 VanDerWaalsContact OD1-CB 3.28Å; D311-S313 WeakPolarHBondContact OD1-CB 3.32Å; D311-S313 PolarHBondContact OD1-N 3.23Å; D311-S313 PolarHBondContact OD1-OG 3.11Å; D311-S313 PolarHBondContact OD2-OG 3.48Å
314	Q	92.9	Very high	93.6	Very high	101 Å²	101	56.2 Å²	56.2	47%	0.472	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-40.1	-178.6	-69.5	-168.4	52.8	0	0	113.6	R214 D311 Q312 P316 W317	R214-Q314 PolarHBondContact NH2-O 3.15Å; R214-Q314 VanDerWaalsContact NH2-O 3.1Å; D311-Q314 HydrophobicContact CB-CB 4.39Å; D311-Q314 PolarHBondContact O-N 3.24Å; D311-Q314 VanDerWaalsContact O-N 3.09Å; D311-Q314 WeakPolarHBondContact OD2-CG 3.37Å; D311-Q314 PolarHBondContact OD2-NE2 3.43Å; Q312-Q314 VanDerWaalsContact C-N 3.28Å; Q314-P316 VanDerWaalsContact C-CD 3.46Å; Q314-W317 WeakPolarHBondContact O-CH2 3.28Å
315	T	95	Very high	93.3	Very high	9 Å²	9	59.3 Å²	59.3	6%	0.055	33%	0.326	C	S	.	.			trans	-130.6	63	-177.4	60.3	0	0	0	0	110.9	R214 W216 C310 D311 W317 C318	R214-T315 HydrophobicContact CB-CG2 3.87Å; R214-T315 HydrophobicContact CG-CG2 3.92Å; W216-T315 PolarHBondContact NE1-OG1 2.92Å; C310-T315 PolarHBondContact SG-O 3.29Å; D311-T315 PolarHBondContact O-N 3Å; D311-T315 PolarHBondContact O-OG1 3.45Å; T315-W317 HydrophobicContact CG2-CH2 4.24Å; T315-W317 HydrophobicContact CG2-CZ2 3.65Å; T315-W317 PolarHBondContact O-N 3.24Å; T315-C318 WeakPolarHBondContact O-CB 3.39Å; T315-C318 PolarHBondContact O-N 3.01Å; T315-C318 PolarHBondContact O-SG 3.5Å
316	P	95.6	Very high	92.9	Very high	69 Å²	69	61.7 Å²	61.7	45%	0.448	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-59.3	-22	-178.4	22.7	-33.1	0	0	0	113.1	Q312 Q314 C318 L319	Q312-P316 WeakPolarHBondContact O-CA 3.35Å; Q312-P316 VanDerWaalsContact O-CB 3.31Å; Q312-P316 WeakPolarHBondContact O-CB 3.32Å; Q312-P316 VanDerWaalsContact O-CD 3.3Å; Q312-P316 WeakPolarHBondContact O-CD 3.48Å; Q314-P316 VanDerWaalsContact C-CD 3.46Å; P316-C318 PolarHBondContact O-N 2.87Å; P316-C318 VanDerWaalsContact O-N 3.14Å; P316-L319 PolarHBondContact O-N 3.36Å
317	W	96	Very high	92.5	Very high	13 Å²	13	65.8 Å²	65.8	5%	0.049	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-72	4.8	175.2	58.4	82.4	0	0	0	114.5	R132 R214 W216 V265 A267 Q268 E271 Q314 T315 L319	R132-W317 WeakPolarHBondContact CD-O 3.29Å; R132-W317 PolarHBondContact NH1-O 3.49Å; R214-W317 PolarHBondContact O-NE1 3.42Å; W216-W317 AromaticContact CD1-CD1 3.96Å; W216-W317 AromaticContact CD1-NE1 3.87Å; V265-W317 HydrophobicContact CB-CB 4.03Å; A267-W317 HydrophobicContact CB-CZ3 4.26Å; Q268-W317 HydrophobicContact CB-CB 3.85Å; Q268-W317 HydrophobicContact CB-CD2 3.75Å; Q268-W317 HydrophobicContact CB-CE3 3.99Å; Q268-W317 HydrophobicContact CB-CG 3.68Å; Q268-W317 HydrophobicContact CG-CB 4.07Å; Q268-W317 HydrophobicContact CG-CD2 3.94Å; Q268-W317 HydrophobicContact CG-CG 3.63Å; Q268-W317 VanDerWaalsContact NE2-CD1 3.29Å; E271-W317 HydrophobicContact CB-CH2 3.86Å; E271-W317 HydrophobicContact CB-CZ2 4.19Å; E271-W317 HydrophobicContact CG-CH2 3.71Å; E271-W317 HydrophobicContact CG-CZ3 4.11Å; Q314-W317 WeakPolarHBondContact O-CH2 3.28Å; T315-W317 HydrophobicContact CG2-CH2 4.24Å; T315-W317 HydrophobicContact CG2-CZ2 3.65Å; T315-W317 PolarHBondContact O-N 3.24Å; W317-L319 PolarHBondContact O-N 2.77Å
318	C	96.6	Very high	92.1	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-67.2	-21.2	168.6	68.5	0	0	0	0	113	Y131 R132 W216 C310 T315 P316	Y131-C318 WeakPolarHBondContact CA-O 3.44Å; Y131-C318 WeakPolarHBondContact CB-O 3.43Å; Y131-C318 HydrophobicContact CD1-CB 4.16Å; Y131-C318 HydrophobicContact CG-CB 4.48Å; R132-C318 WeakPolarHBondContact CG-O 3.44Å; R132-C318 PolarHBondContact N-O 2.99Å; W216-C318 HydrophobicContact CB-CB 4.2Å; W216-C318 HydrophobicContact CD2-CB 3.36Å; W216-C318 VanDerWaalsContact CE2-CB 3.47Å; W216-C318 HydrophobicContact CE3-CB 3.91Å; W216-C318 VanDerWaalsContact CG-CA 3.47Å; W216-C318 HydrophobicContact CG-CB 3.49Å; W216-C318 VanDerWaalsContact CG-CB 3.49Å; W216-C318 HydrophobicContact CZ2-CB 4.11Å; C310-C318 HydrophobicContact CB-CB 3.73Å; C310-C318 WeakPolarHBondContact CB-SG 3.38Å; C310-C318 WeakPolarHBondContact SG-CB 3.33Å; C310-C318 CovalentContact SG-SG 2.02Å; C310-C318 PolarHBondContact SG-SG 2.98Å; T315-C318 WeakPolarHBondContact O-CB 3.39Å; T315-C318 PolarHBondContact O-N 3.01Å; T315-C318 PolarHBondContact O-SG 3.5Å; P316-C318 PolarHBondContact O-N 2.87Å; P316-C318 VanDerWaalsContact O-N 3.14Å
319	L	94	Very high	91.5	Very high	65 Å²	65	69.4 Å²	69.4	34%	0.34	39%	0.388	S	S	.	.	S	Bend	trans	-97.7	145	170.8	-65.3	170.3	0	0	0	110.4	Y131 Q312 P316 W317 S321	Y131-L319 HydrophobicContact CD1-CD2 3.57Å; Y131-L319 HydrophobicContact CD1-CG 4.09Å; Y131-L319 HydrophobicContact CE1-CD2 3.76Å; Y131-L319 HydrophobicContact CE1-CG 4.21Å; Q312-L319 HydrophobicContact CG-CD1 4.48Å; Q312-L319 VanDerWaalsContact OE1-CD1 3.31Å; P316-L319 PolarHBondContact O-N 3.36Å; W317-L319 PolarHBondContact O-N 2.77Å; L319-S321 PolarHBondContact O-N 2.96Å
320	L	81.2	Confident	91	Very high	105 Å²	105	65.1 Å²	65.1	55%	0.55	37%	0.374	S	S	.	.			trans	-79.5	93.1	164.3	-74	166.2	0	0	0	107.5	R132	R132-L320 HydrophobicContact CG-CD1 4.28Å; R132-L320 HydrophobicContact CG-CD2 4.05Å; R132-L320 HydrophobicContact CG-CG 3.63Å
321	S	60.1	Low	90.5	Very high	121 Å²	121	69.4 Å²	69.4	85%	0.846	40%	0.397	S	S	*	.			trans	-60.6	0	167.4	63.9	0	0	0	0	111.5	K263 L319	K263-S321 PolarHBondContact NZ-O 2.79Å; L319-S321 PolarHBondContact O-N 2.96Å

Retrieved 321 of 321 residues in 285.5 ms (Link to these results)

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