A0A087Y0N4_POEFO Loading...

Beta-galactosidase

Cleaves beta-linked terminal galactosyl residues from gangliosides, glycoproteins, and glycosaminoglycans.

AlphaFold DB , UniProt , Accession A0A087Y0N4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 653 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.7	Very low	43.8	Very low	245 Å²	245	155.9 Å²	155.9	100%	1.207	80%	0.803	S	S	*	*				0	143.5	0	-84.2	167.7	72.7	0	0	108.5
2	S	40.1	Very low	43.6	Very low	130 Å²	130	152.3 Å²	152.3	91%	0.909	79%	0.785	S	S	*	*			trans	81.5	80.5	-175.1	-157.9	0	0	0	0	115.5
3	V	40	Very low	43.4	Very low	121 Å²	121	149.1 Å²	149.1	73%	0.733	77%	0.769	S	S	*	*			trans	-118.3	143.2	170.3	166.5	0	0	0	0	105.8
4	L	45.7	Very low	43	Very low	151 Å²	151	146.3 Å²	146.3	79%	0.791	76%	0.755	S	S	*	*			trans	56	97.3	162.3	-89.4	114.1	0	0	0	117.2
5	R	44.5	Very low	42.9	Very low	242 Å²	242	143.6 Å²	143.6	91%	0.913	75%	0.748	S	S	*	*			trans	-167.4	39.2	154.9	-114.4	174.1	-155.3	-152.2	6.1	116.5
6	F	44.2	Very low	42.6	Very low	194 Å²	194	143.9 Å²	143.9	85%	0.851	75%	0.747	S	S	*	*	S	Bend	trans	-140.7	3.4	175.1	-107.6	-84.2	0	0	0	117.7
7	N	45.4	Very low	42.4	Very low	147 Å²	147	145.1 Å²	145.1	79%	0.786	75%	0.75	S	S	*	*	S	Bend	trans	-113.3	-0.1	179.4	-85.1	-0.9	0	0	0	115.6
8	S	44	Very low	42.5	Very low	87 Å²	87	145.6 Å²	145.6	61%	0.608	75%	0.746	S	S	*	*	H	α-helix	trans	-93.6	-14.8	-179.8	-57.8	0	0	0	0	114.3	L12	S8-L12 WeakPolarHBondContact O-CD1 3.32Å
9	V	47.4	Very low	42.2	Very low	108 Å²	108	141.3 Å²	141.3	66%	0.655	74%	0.741	S	S	*	*	H	α-helix	trans	-85.1	-32.6	-178.2	-177.7	0	0	0	0	111.7	L13	V9-L13 HydrophobicContact CG1-CD1 4.23Å; V9-L13 PolarHBondContact O-N 3.27Å
10	F	45.6	Very low	42.1	Very low	165 Å²	165	141.8 Å²	141.8	72%	0.724	74%	0.739	S	S	*	*	H	α-helix	trans	-77.1	-29	178.5	-127.6	-93.5	0	0	0	113.1	L14	F10-L14 PolarHBondContact O-N 2.85Å
11	L	43	Very low	42	Very low	125 Å²	125	140.1 Å²	140.1	65%	0.654	74%	0.74	S	S	*	*	H	α-helix	trans	-78.4	-28	176.9	-154.6	72.8	0	0	0	112.5	V15	L11-V15 WeakPolarHBondContact O-CG2 3.49Å; L11-V15 PolarHBondContact O-N 3.34Å
12	L	41.3	Very low	42.1	Very low	112 Å²	112	136.2 Å²	136.2	59%	0.586	72%	0.722	S	S	*	*	H	α-helix	trans	-74.2	-29.9	172	-105.5	101.2	0	0	0	113	S8 M16	S8-L12 WeakPolarHBondContact O-CD1 3.32Å; L12-M16 PolarHBondContact O-N 3.04Å
13	L	40.7	Very low	42.7	Very low	111 Å²	111	132.7 Å²	132.7	58%	0.581	71%	0.706	S	S	*	*	H	α-helix	trans	-76.4	-26	176.2	-100.3	135.4	0	0	0	113.1	V9	V9-L13 HydrophobicContact CG1-CD1 4.23Å; V9-L13 PolarHBondContact O-N 3.27Å
14	L	38.4	Very low	43.9	Very low	110 Å²	110	132.2 Å²	132.2	58%	0.576	70%	0.704	S	S	*	*	H	α-helix	trans	-78	-27	173.6	-128.9	90.8	0	0	0	113.1	F10	F10-L14 PolarHBondContact O-N 2.85Å
15	V	41	Very low	45.7	Very low	106 Å²	106	129.7 Å²	129.7	64%	0.642	70%	0.699	S	S	*	*	H	α-helix	trans	-79.5	-22	176.5	175.5	0	0	0	0	112.1	L11 M17	L11-V15 WeakPolarHBondContact O-CG2 3.49Å; L11-V15 PolarHBondContact O-N 3.34Å; V15-M17 VanDerWaalsContact C-N 3.34Å
16	M	39.1	Very low	48.1	Very low	148 Å²	148	120.7 Å²	120.7	73%	0.729	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-79.4	-11.6	171.5	-69.7	-165.4	-159.4	0	0	114.3	L12	L12-M16 PolarHBondContact O-N 3.04Å
17	M	39	Very low	50.6	Low	164 Å²	164	113.8 Å²	113.8	81%	0.808	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-91.9	-5.9	176.3	-70.9	-93.3	-101.8	0	0	113.2	V15	V15-M17 VanDerWaalsContact C-N 3.34Å
18	F	43	Very low	53.2	Low	155 Å²	155	107.3 Å²	107.3	68%	0.68	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-118.1	49.3	166.3	-77.6	-85.5	0	0	0	110.1	H20	F18-H20 PolarHBondContact O-N 3.43Å
19	G	37.5	Very low	55.8	Low	63 Å²	63	105.7 Å²	105.7	65%	0.649	60%	0.601	S	S	*	*			trans	-61.2	88.2	147.2	0	0	0	0	0	106.7	S21	G19-S21 PolarHBondContact O-N 2.68Å
20	H	40.4	Very low	58.2	Low	151 Å²	151	101.7 Å²	101.7	70%	0.699	58%	0.576	S	S	*	*			trans	-54.6	105	152.5	-77.1	67.4	0	0	0	103.2	F18 I22	F18-H20 PolarHBondContact O-N 3.43Å; H20-I22 VanDerWaalsContact C-N 3.26Å; H20-I22 PolarHBondContact O-N 2.69Å
21	S	39.3	Very low	60.7	Low	108 Å²	108	94.9 Å²	94.9	76%	0.755	55%	0.548	S	S	*	.			trans	-47.7	111.5	152.8	38.4	0	0	0	0	103.6	G19 G23	G19-S21 PolarHBondContact O-N 2.68Å; S21-G23 PolarHBondContact O-N 3.31Å
22	I	44.5	Very low	63.3	Low	163 Å²	163	94.2 Å²	94.2	84%	0.836	54%	0.537	S	S	*	.			trans	-66	80	161.2	-60.4	173.8	0	0	0	102.1	H20 T24	H20-I22 VanDerWaalsContact C-N 3.26Å; H20-I22 PolarHBondContact O-N 2.69Å; I22-T24 PolarHBondContact O-N 2.87Å
23	G	51.9	Low	66	Low	55 Å²	55	97.2 Å²	97.2	57%	0.567	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-58.8	116.5	175.6	0	0	0	0	0	104.5	S21 S25	S21-G23 PolarHBondContact O-N 3.31Å; G23-S25 PolarHBondContact O-N 2.86Å
24	T	64.8	Low	68.7	Low	112 Å²	112	96.1 Å²	96.1	69%	0.687	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-46.7	131	167	45	0	0	0	0	107.7	I22	I22-T24 PolarHBondContact O-N 2.87Å
25	S	84.6	Confident	71.5	Confident	98 Å²	98	94.2 Å²	94.2	69%	0.685	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-50	139	175.5	-58.8	0	0	0	0	109.6	G23 S27	G23-S25 PolarHBondContact O-N 2.86Å; S25-S27 PolarHBondContact O-N 2.99Å
26	P	95	Very high	74.3	Confident	53 Å²	53	89.5 Å²	89.5	34%	0.344	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-50.8	133.5	-179.9	-27	34.1	0	0	0	110.9	D40 Y170 Q171	P26-D40 WeakPolarHBondContact CA-OD1 3.32Å; P26-Y170 HydrophobicContact CB-CD1 4.07Å; P26-Y170 HydrophobicContact CB-CE1 3.72Å; P26-Y170 WeakPolarHBondContact CB-O 3.36Å; P26-Q171 WeakPolarHBondContact O-CA 3.06Å
27	S	97.4	Very high	77.1	Confident	48 Å²	48	82.6 Å²	82.6	34%	0.336	47%	0.471	S	S	.	.			trans	-138.2	142.2	-177.9	65.6	0	0	0	0	111.7	S25 K39 D40 Y170	S25-S27 PolarHBondContact O-N 2.99Å; S27-K39 CarbonylContact O-C 3.54Å; S27-K39 WeakPolarHBondContact O-CA 3.2Å; S27-D40 PolarHBondContact N-OD1 2.8Å; S27-D40 VanDerWaalsContact N-OD1 3.09Å; S27-D40 PolarHBondContact O-N 3.18Å; S27-Y170 WeakPolarHBondContact O-CE1 3.37Å
28	F	98.6	Very high	79.9	Confident	11 Å²	11	78 Å²	78	5%	0.048	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	122.7	173.7	-166.5	-87.9	0	0	0	109	F37 R38 K39 F44 Y170 I177 T178 V212	F28-F37 HydrophobicContact CD1-CD1 4.49Å; F28-F37 HydrophobicContact CE1-CB 4.23Å; F28-F37 AromaticContact CE1-CD1 3.5Å; F28-F37 HydrophobicContact CE1-CD1 3.5Å; F28-F37 AromaticContact CE1-CE1 3.97Å; F28-F37 HydrophobicContact CE1-CE1 3.97Å; F28-F37 AromaticContact CE1-CG 3.91Å; F28-F37 HydrophobicContact CE1-CG 3.91Å; F28-F37 HydrophobicContact CE2-CB 4.29Å; F28-F37 HydrophobicContact CZ-CB 3.74Å; F28-F37 AromaticContact CZ-CD1 3.79Å; F28-F37 HydrophobicContact CZ-CD1 3.79Å; F28-F37 HydrophobicContact CZ-CD2 4.25Å; F28-F37 HydrophobicContact CZ-CE1 4.45Å; F28-F37 AromaticContact CZ-CG 3.67Å; F28-F37 HydrophobicContact CZ-CG 3.67Å; F28-R38 CarbonylContact C-O 3.5Å; F28-R38 VanDerWaalsContact CA-O 3.28Å; F28-R38 WeakPolarHBondContact CA-O 3.18Å; F28-K39 HydrophobicContact CD2-CB 3.98Å; F28-K39 HydrophobicContact CD2-CG 4.2Å; F28-K39 HydrophobicContact CE2-CB 4.27Å; F28-F44 AromaticContact CE2-CD1 3.49Å; F28-F44 HydrophobicContact CE2-CD1 3.49Å; F28-F44 VanDerWaalsContact CE2-CD1 3.49Å; F28-F44 AromaticContact CE2-CE1 3.79Å; F28-F44 HydrophobicContact CE2-CE1 3.79Å; F28-F44 HydrophobicContact CE2-CG 4.29Å; F28-F44 AromaticContact CZ-CD1 3.99Å; F28-F44 HydrophobicContact CZ-CD1 3.99Å; F28-F44 HydrophobicContact CZ-CE1 4.27Å; F28-Y170 HydrophobicContact CB-CD1 3.9Å; F28-Y170 HydrophobicContact CB-CG 4.48Å; F28-I177 HydrophobicContact CB-CG2 4.44Å; F28-I177 HydrophobicContact CD1-CB 3.94Å; F28-I177 WeakPolarHBondContact CD1-O 3.23Å; F28-I177 HydrophobicContact CD2-CB 3.77Å; F28-I177 HydrophobicContact CD2-CG2 3.57Å; F28-I177 HydrophobicContact CE1-CB 4Å; F28-I177 HydrophobicContact CE2-CB 3.81Å; F28-I177 HydrophobicContact CE2-CD1 3.93Å; F28-I177 HydrophobicContact CE2-CG1 4.45Å; F28-I177 HydrophobicContact CE2-CG2 3.87Å; F28-I177 HydrophobicContact CG-CB 3.83Å; F28-I177 HydrophobicContact CG-CG2 3.94Å; F28-I177 HydrophobicContact CZ-CB 3.94Å; F28-I177 HydrophobicContact CZ-CD1 3.86Å; F28-I177 HydrophobicContact CZ-CG1 4.37Å; F28-T178 HydrophobicContact CD1-CG2 4.28Å; F28-T178 HydrophobicContact CE1-CG2 3.6Å; F28-T178 HydrophobicContact CZ-CG2 4.35Å; F28-V212 HydrophobicContact CD1-CG2 3.93Å; F28-V212 HydrophobicContact CE1-CG2 4.37Å
29	S	98.4	Very high	82.6	Confident	54 Å²	54	73 Å²	73	38%	0.378	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	164.1	-175.3	67.3	0	0	0	0	112.7	F37 R38	S29-F37 CarbonylContact O-C 3.6Å; S29-F37 WeakPolarHBondContact O-CA 3.47Å; S29-R38 PolarHBondContact N-O 3.43Å; S29-R38 PolarHBondContact O-N 3.17Å
30	V	98.6	Very high	85.5	Confident	23 Å²	23	72.5 Å²	72.5	14%	0.139	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	128.3	168.3	177.7	0	0	0	0	109	Y32 F37 V212 Y233	V30-Y32 HydrophobicContact CB-CD2 4.33Å; V30-Y32 HydrophobicContact CB-CE2 3.86Å; V30-Y32 HydrophobicContact CG1-CD1 3.95Å; V30-Y32 HydrophobicContact CG1-CD2 3.82Å; V30-Y32 HydrophobicContact CG1-CE1 3.8Å; V30-Y32 HydrophobicContact CG1-CE2 3.65Å; V30-Y32 HydrophobicContact CG1-CG 3.97Å; V30-F37 HydrophobicContact CG2-CD1 4.01Å; V30-F37 HydrophobicContact CG2-CE1 3.68Å; V30-V212 HydrophobicContact CG2-CG1 4.02Å; V30-V212 HydrophobicContact CG2-CG2 4.35Å; V30-Y233 HydrophobicContact CG1-CE2 4.25Å; V30-Y233 HydrophobicContact CG2-CD2 4.41Å; V30-Y233 HydrophobicContact CG2-CG 4.46Å
31	D	98.3	Very high	88.1	Confident	23 Å²	23	67.3 Å²	67.3	12%	0.123	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	97.4	168.1	-178.8	-15.4	0	0	0	108.4	E33 N34 N35 C36 R38	D31-E33 VanDerWaalsContact C-N 3.32Å; D31-E33 PolarHBondContact OD1-N 3.27Å; D31-E33 VanDerWaalsContact OD1-N 3.16Å; D31-N34 VanDerWaalsContact CG-ND2 3.32Å; D31-N34 PolarHBondContact OD1-N 3.07Å; D31-N34 PolarHBondContact OD1-ND2 3.16Å; D31-N34 VanDerWaalsContact OD1-ND2 3.14Å; D31-N34 WeakPolarHBondContact OD2-CB 3.28Å; D31-N34 PolarHBondContact OD2-ND2 2.82Å; D31-N35 WeakPolarHBondContact O-CA 3.48Å; D31-N35 PolarHBondContact O-N 3.41Å; D31-C36 PolarHBondContact N-O 2.91Å; D31-C36 PolarHBondContact O-N 2.89Å; D31-C36 VanDerWaalsContact O-N 3.15Å; D31-R38 HydrophobicContact CB-CG 3.67Å; D31-R38 IonicContact OD2-CZ 3.73Å; D31-R38 VanDerWaalsContact OD2-CZ 3.27Å; D31-R38 IonicContact OD2-NE 3.93Å; D31-R38 PolarHBondContact OD2-NE 3.4Å; D31-R38 IonicContact OD2-NH2 3.48Å; D31-R38 PolarHBondContact OD2-NH2 3.08Å
32	Y	97.9	Very high	90.9	Very high	110 Å²	110	68.9 Å²	68.9	43%	0.431	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-33.8	-178.4	-68.5	-84.7	0	0	0	111.9	V30 Y233 Y257	V30-Y32 HydrophobicContact CB-CD2 4.33Å; V30-Y32 HydrophobicContact CB-CE2 3.86Å; V30-Y32 HydrophobicContact CG1-CD1 3.95Å; V30-Y32 HydrophobicContact CG1-CD2 3.82Å; V30-Y32 HydrophobicContact CG1-CE1 3.8Å; V30-Y32 HydrophobicContact CG1-CE2 3.65Å; V30-Y32 HydrophobicContact CG1-CG 3.97Å; Y32-Y233 HydrophobicContact CE1-CD2 4.08Å; Y32-Y233 AromaticContact CE1-CE2 3.85Å; Y32-Y233 HydrophobicContact CE1-CE2 3.85Å; Y32-Y257 WeakPolarHBondContact O-CB 3.26Å
33	E	96.9	Very high	93.5	Very high	175 Å²	175	66.5 Å²	66.5	82%	0.818	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-41.3	-178.4	-63.5	-176.5	175.9	0	0	111.5	D31	D31-E33 VanDerWaalsContact C-N 3.32Å; D31-E33 PolarHBondContact OD1-N 3.27Å; D31-E33 VanDerWaalsContact OD1-N 3.16Å
34	N	97.6	Very high	95.7	Very high	89 Å²	89	65.5 Å²	65.5	48%	0.476	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	6.5	-177.4	-58.5	-73.9	0	0	0	113.8	D31 C36 R38	D31-N34 VanDerWaalsContact CG-ND2 3.32Å; D31-N34 PolarHBondContact OD1-N 3.07Å; D31-N34 PolarHBondContact OD1-ND2 3.16Å; D31-N34 VanDerWaalsContact OD1-ND2 3.14Å; D31-N34 WeakPolarHBondContact OD2-CB 3.28Å; D31-N34 PolarHBondContact OD2-ND2 2.82Å; N34-C36 VanDerWaalsContact C-N 3.31Å; N34-C36 PolarHBondContact O-N 3.05Å; N34-R38 PolarHBondContact ND2-NH2 3.07Å
35	N	98.3	Very high	97.3	Very high	70 Å²	70	62.9 Å²	62.9	37%	0.374	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	41.2	178.5	-62.4	-58.6	0	0	0	114.4	D31 Y257 G258 P259	D31-N35 WeakPolarHBondContact O-CA 3.48Å; D31-N35 PolarHBondContact O-N 3.41Å; N35-Y257 WeakPolarHBondContact OD1-CA 3.44Å; N35-G258 WeakPolarHBondContact CB-O 3.4Å; N35-G258 PolarHBondContact OD1-N 2.82Å; N35-G258 PolarHBondContact OD1-O 2.9Å; N35-P259 WeakPolarHBondContact O-CA 3.41Å
36	C	98.5	Very high	97.9	Very high	6 Å²	6	58.3 Å²	58.3	4%	0.041	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	172	-176.5	66.9	0	0	0	0	112.3	D31 N34 Q43	D31-C36 PolarHBondContact N-O 2.91Å; D31-C36 PolarHBondContact O-N 2.89Å; D31-C36 VanDerWaalsContact O-N 3.15Å; N34-C36 VanDerWaalsContact C-N 3.31Å; N34-C36 PolarHBondContact O-N 3.05Å; C36-Q43 HydrophobicContact CB-CG 3.86Å
37	F	98.8	Very high	98.1	Very high	3 Å²	3	55.9 Å²	55.9	1%	0.013	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	152.4	161.9	-68.6	-70.1	0	0	0	109.6	F28 S29 V30 F44 Y46 V212 P259 V261 N298	F28-F37 HydrophobicContact CD1-CD1 4.49Å; F28-F37 HydrophobicContact CE1-CB 4.23Å; F28-F37 AromaticContact CE1-CD1 3.5Å; F28-F37 HydrophobicContact CE1-CD1 3.5Å; F28-F37 AromaticContact CE1-CE1 3.97Å; F28-F37 HydrophobicContact CE1-CE1 3.97Å; F28-F37 AromaticContact CE1-CG 3.91Å; F28-F37 HydrophobicContact CE1-CG 3.91Å; F28-F37 HydrophobicContact CE2-CB 4.29Å; F28-F37 HydrophobicContact CZ-CB 3.74Å; F28-F37 AromaticContact CZ-CD1 3.79Å; F28-F37 HydrophobicContact CZ-CD1 3.79Å; F28-F37 HydrophobicContact CZ-CD2 4.25Å; F28-F37 HydrophobicContact CZ-CE1 4.45Å; F28-F37 AromaticContact CZ-CG 3.67Å; F28-F37 HydrophobicContact CZ-CG 3.67Å; S29-F37 CarbonylContact O-C 3.6Å; S29-F37 WeakPolarHBondContact O-CA 3.47Å; V30-F37 HydrophobicContact CG2-CD1 4.01Å; V30-F37 HydrophobicContact CG2-CE1 3.68Å; F37-F44 HydrophobicContact CB-CB 4.39Å; F37-F44 HydrophobicContact CB-CD1 4.34Å; F37-F44 PolarHBondContact N-O 3.04Å; F37-F44 PolarHBondContact O-N 3.39Å; F37-Y46 HydrophobicContact CD2-CD1 4.27Å; F37-Y46 HydrophobicContact CD2-CE1 4.15Å; F37-Y46 HydrophobicContact CE2-CD1 4.09Å; F37-Y46 AromaticContact CE2-CE1 3.5Å; F37-Y46 HydrophobicContact CE2-CE1 3.5Å; F37-Y46 HydrophobicContact CZ-CE1 4.15Å; F37-V212 HydrophobicContact CE1-CG1 4.29Å; F37-P259 HydrophobicContact CD1-CG 3.97Å; F37-P259 HydrophobicContact CD2-CB 3.93Å; F37-P259 HydrophobicContact CD2-CG 3.78Å; F37-P259 HydrophobicContact CE1-CG 3.68Å; F37-P259 HydrophobicContact CE2-CB 3.77Å; F37-P259 HydrophobicContact CE2-CG 3.45Å; F37-P259 VanDerWaalsContact CE2-CG 3.45Å; F37-P259 HydrophobicContact CG-CG 4.02Å; F37-P259 HydrophobicContact CZ-CB 4.23Å; F37-P259 HydrophobicContact CZ-CG 3.4Å; F37-P259 VanDerWaalsContact CZ-CG 3.4Å; F37-V261 HydrophobicContact CE2-CG2 4.02Å; F37-V261 HydrophobicContact CZ-CG2 4.15Å; F37-N298 WeakPolarHBondContact CD2-OD1 3.38Å; F37-N298 HydrophobicContact CE2-CB 4.39Å
38	R	98.5	Very high	98.2	Very high	67 Å²	67	53.6 Å²	53.6	25%	0.253	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	125	168.3	-67.8	-80.8	-177.4	177	-3.6	108.5	F28 S29 D31 N34 G41 E42	F28-R38 CarbonylContact C-O 3.5Å; F28-R38 VanDerWaalsContact CA-O 3.28Å; F28-R38 WeakPolarHBondContact CA-O 3.18Å; S29-R38 PolarHBondContact N-O 3.43Å; S29-R38 PolarHBondContact O-N 3.17Å; D31-R38 HydrophobicContact CB-CG 3.67Å; D31-R38 IonicContact OD2-CZ 3.73Å; D31-R38 VanDerWaalsContact OD2-CZ 3.27Å; D31-R38 IonicContact OD2-NE 3.93Å; D31-R38 PolarHBondContact OD2-NE 3.4Å; D31-R38 IonicContact OD2-NH2 3.48Å; D31-R38 PolarHBondContact OD2-NH2 3.08Å; N34-R38 PolarHBondContact ND2-NH2 3.07Å; R38-G41 VanDerWaalsContact CD-O 3.24Å; R38-G41 WeakPolarHBondContact CD-O 3.21Å; R38-G41 PolarHBondContact NH1-O 2.82Å; R38-E42 CarbonylContact C-O 3.49Å; R38-E42 VanDerWaalsContact CA-O 3.23Å; R38-E42 WeakPolarHBondContact CA-O 3.34Å
39	K	98.4	Very high	98.2	Very high	51 Å²	51	53.1 Å²	53.1	22%	0.222	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	115.4	170	-177.8	-174.9	170.5	-62.4	0	107.6	S27 F28 G41 E42 F44 L113 Y170	S27-K39 CarbonylContact O-C 3.54Å; S27-K39 WeakPolarHBondContact O-CA 3.2Å; F28-K39 HydrophobicContact CD2-CB 3.98Å; F28-K39 HydrophobicContact CD2-CG 4.2Å; F28-K39 HydrophobicContact CE2-CB 4.27Å; K39-G41 PolarHBondContact O-N 3.02Å; K39-E42 PolarHBondContact N-O 3.26Å; K39-E42 PolarHBondContact O-N 2.95Å; K39-E42 VanDerWaalsContact O-N 3.07Å; K39-F44 HydrophobicContact CB-CB 3.64Å; K39-F44 HydrophobicContact CB-CD1 4.43Å; K39-F44 HydrophobicContact CB-CD2 3.94Å; K39-F44 HydrophobicContact CB-CG 3.73Å; K39-F44 HydrophobicContact CD-CD2 3.78Å; K39-F44 HydrophobicContact CD-CE2 3.9Å; K39-F44 HydrophobicContact CD-CG 4.3Å; K39-F44 HydrophobicContact CD-CZ 4.5Å; K39-L113 HydrophobicContact CD-CD1 4.09Å; K39-Y170 VanDerWaalsContact CE-CZ 3.48Å; K39-Y170 WeakPolarHBondContact CE-OH 3.18Å; K39-Y170 HydrophobicContact CG-CE1 4.05Å; K39-Y170 PolarHBondContact NZ-OH 2.94Å
40	D	98	Very high	98.2	Very high	53 Å²	53	50.5 Å²	50.5	28%	0.283	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	36.4	-175.8	-46.5	-50.8	0	0	0	112.9	P26 S27 E42 Y170	P26-D40 WeakPolarHBondContact CA-OD1 3.32Å; S27-D40 PolarHBondContact N-OD1 2.8Å; S27-D40 VanDerWaalsContact N-OD1 3.09Å; S27-D40 PolarHBondContact O-N 3.18Å; D40-E42 VanDerWaalsContact C-N 3.27Å; D40-E42 PolarHBondContact O-N 2.96Å; D40-Y170 VanDerWaalsContact CG-OH 3.27Å; D40-Y170 VanDerWaalsContact OD1-CE1 3.3Å; D40-Y170 WeakPolarHBondContact OD1-CE1 3.43Å; D40-Y170 PolarHBondContact OD1-OH 3.49Å; D40-Y170 VanDerWaalsContact OD1-OH 3.14Å; D40-Y170 PolarHBondContact OD2-OH 2.83Å
41	G	96.5	Very high	98.2	Very high	42 Å²	42	49.4 Å²	49.4	43%	0.433	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	-13.3	-177.5	0	0	0	0	0	115.4	R38 K39	R38-G41 VanDerWaalsContact CD-O 3.24Å; R38-G41 WeakPolarHBondContact CD-O 3.21Å; R38-G41 PolarHBondContact NH1-O 2.82Å; K39-G41 PolarHBondContact O-N 3.02Å
42	E	97.6	Very high	98.3	Very high	140 Å²	140	48.6 Å²	48.6	65%	0.654	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	146.3	-180	-64.8	-59.4	149.8	0	0	111.9	R38 K39 D40 F44	R38-E42 CarbonylContact C-O 3.49Å; R38-E42 VanDerWaalsContact CA-O 3.23Å; R38-E42 WeakPolarHBondContact CA-O 3.34Å; K39-E42 PolarHBondContact N-O 3.26Å; K39-E42 PolarHBondContact O-N 2.95Å; K39-E42 VanDerWaalsContact O-N 3.07Å; D40-E42 VanDerWaalsContact C-N 3.27Å; D40-E42 PolarHBondContact O-N 2.96Å; E42-F44 PolarHBondContact O-N 2.81Å
43	Q	97.9	Very high	98.3	Very high	114 Å²	114	43.4 Å²	43.4	53%	0.533	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	130	174.3	178.7	173.2	3.3	0	0	109.9	C36	C36-Q43 HydrophobicContact CB-CG 3.86Å
44	F	98.5	Very high	98.4	Very high	33 Å²	33	35.5 Å²	35.5	15%	0.145	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	142.9	-174.5	-177.6	-95.2	0	0	0	111.5	F28 F37 K39 E42 L113 I177	F28-F44 AromaticContact CE2-CD1 3.49Å; F28-F44 HydrophobicContact CE2-CD1 3.49Å; F28-F44 VanDerWaalsContact CE2-CD1 3.49Å; F28-F44 AromaticContact CE2-CE1 3.79Å; F28-F44 HydrophobicContact CE2-CE1 3.79Å; F28-F44 HydrophobicContact CE2-CG 4.29Å; F28-F44 AromaticContact CZ-CD1 3.99Å; F28-F44 HydrophobicContact CZ-CD1 3.99Å; F28-F44 HydrophobicContact CZ-CE1 4.27Å; F37-F44 HydrophobicContact CB-CB 4.39Å; F37-F44 HydrophobicContact CB-CD1 4.34Å; F37-F44 PolarHBondContact N-O 3.04Å; F37-F44 PolarHBondContact O-N 3.39Å; K39-F44 HydrophobicContact CB-CB 3.64Å; K39-F44 HydrophobicContact CB-CD1 4.43Å; K39-F44 HydrophobicContact CB-CD2 3.94Å; K39-F44 HydrophobicContact CB-CG 3.73Å; K39-F44 HydrophobicContact CD-CD2 3.78Å; K39-F44 HydrophobicContact CD-CE2 3.9Å; K39-F44 HydrophobicContact CD-CG 4.3Å; K39-F44 HydrophobicContact CD-CZ 4.5Å; E42-F44 PolarHBondContact O-N 2.81Å; F44-L113 HydrophobicContact CE1-CD1 4.15Å; F44-L113 HydrophobicContact CE2-CD1 3.96Å; F44-L113 HydrophobicContact CZ-CD1 3.44Å; F44-L113 VanDerWaalsContact CZ-CD1 3.44Å; F44-I177 HydrophobicContact CE1-CD1 4.2Å
45	R	98	Very high	98.5	Very high	57 Å²	57	31.3 Å²	31.3	22%	0.215	16%	0.156	C	C	.	.			trans	-135.8	126.8	172.2	-178.2	-168.2	65.8	-161.9	-7.4	109	N74 L293 A297 N298 Y353	R45-N74 PolarHBondContact O-ND2 3.45Å; R45-L293 PolarHBondContact NH1-O 2.8Å; R45-A297 WeakPolarHBondContact CD-O 3.22Å; R45-N298 WeakPolarHBondContact CA-OD1 3.44Å; R45-Y353 PolarHBondContact NH2-O 2.8Å
46	Y	98.8	Very high	98.5	Very high	3 Å²	3	28.4 Å²	28.4	1%	0.012	14%	0.141	C	C	.	.			trans	-87.2	143.7	170.7	62.4	-101.8	0	0	0	112.4	F37 N74 I115 I177 V261 N298 V299	F37-Y46 HydrophobicContact CD2-CD1 4.27Å; F37-Y46 HydrophobicContact CD2-CE1 4.15Å; F37-Y46 HydrophobicContact CE2-CD1 4.09Å; F37-Y46 AromaticContact CE2-CE1 3.5Å; F37-Y46 HydrophobicContact CE2-CE1 3.5Å; F37-Y46 HydrophobicContact CZ-CE1 4.15Å; Y46-N74 VanDerWaalsContact CA-OD1 3.26Å; Y46-N74 WeakPolarHBondContact CA-OD1 3.17Å; Y46-I115 HydrophobicContact CD2-CD1 4.06Å; Y46-I115 HydrophobicContact CE2-CD1 4.2Å; Y46-I115 HydrophobicContact CG-CD1 4.23Å; Y46-I177 HydrophobicContact CD1-CD1 4.32Å; Y46-V261 WeakPolarHBondContact OH-CG1 3.24Å; Y46-N298 HydrophobicContact CD1-CB 4Å; Y46-N298 WeakPolarHBondContact CD1-OD1 3.3Å; Y46-N298 HydrophobicContact CD2-CB 3.93Å; Y46-N298 HydrophobicContact CE1-CB 3.73Å; Y46-N298 HydrophobicContact CE2-CB 3.65Å; Y46-N298 HydrophobicContact CG-CB 4.11Å; Y46-N298 PolarHBondContact N-OD1 3.41Å; Y46-V299 PolarHBondContact O-N 3.02Å
47	I	98.9	Very high	98.5	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	102.1	162.4	-52.5	178.2	0	0	0	104.7	L73 N74 L293 V299 L301 I350	I47-L73 HydrophobicContact CG2-CD2 3.84Å; I47-L73 WeakPolarHBondContact O-CA 3.28Å; I47-N74 PolarHBondContact N-OD1 3.34Å; I47-N74 PolarHBondContact O-N 2.86Å; I47-N74 VanDerWaalsContact O-N 3.13Å; I47-N74 PolarHBondContact O-OD1 2.73Å; I47-L293 HydrophobicContact CD1-CD1 4.06Å; I47-L293 HydrophobicContact CD1-CD2 3.73Å; I47-L293 HydrophobicContact CG1-CD2 3.85Å; I47-V299 HydrophobicContact CG2-CG1 4.13Å; I47-L301 HydrophobicContact CG2-CD1 4.27Å; I47-I350 HydrophobicContact CD1-CG1 4.46Å; I47-I350 HydrophobicContact CD1-CG2 4.1Å; I47-I350 HydrophobicContact CG2-CD1 3.88Å; I47-I350 HydrophobicContact CG2-CG1 4.07Å
48	S	98.9	Very high	98.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	156.7	-171.4	175.8	0	0	0	0	111.8	A75 I76 Q77 V299 N300 L301	S48-A75 VanDerWaalsContact CA-O 3.3Å; S48-A75 WeakPolarHBondContact CA-O 3.18Å; S48-I76 VanDerWaalsContact OG-C 3.29Å; S48-Q77 PolarHBondContact OG-N 3.43Å; S48-V299 PolarHBondContact N-O 3.47Å; S48-N300 CarbonylContact O-C 3.53Å; S48-N300 WeakPolarHBondContact O-CA 3.33Å; S48-N300 PolarHBondContact OG-OD1 2.87Å; S48-L301 WeakPolarHBondContact O-CD1 3.35Å; S48-L301 PolarHBondContact O-N 2.75Å
49	G	98.9	Very high	98.5	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	140.3	167.2	0	0	0	0	0	111	M68 A75 I76 Q77 N300	G49-M68 WeakPolarHBondContact O-CE 3.46Å; G49-A75 PolarHBondContact N-O 3.24Å; G49-I76 WeakPolarHBondContact O-CA 3.41Å; G49-Q77 PolarHBondContact O-N 3.39Å; G49-N300 VanDerWaalsContact C-OD1 3.28Å
50	S	99	Very high	98.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	133.1	176.2	-64.4	0	0	0	0	111.7	Q77 N300 L301 Y302 F304 I305	S50-Q77 WeakPolarHBondContact CA-O 3.46Å; S50-N300 PolarHBondContact N-OD1 3.17Å; S50-N300 VanDerWaalsContact OG-CG 3.32Å; S50-N300 PolarHBondContact OG-ND2 3.41Å; S50-N300 PolarHBondContact OG-OD1 2.77Å; S50-N300 VanDerWaalsContact OG-OD1 3.06Å; S50-L301 PolarHBondContact N-O 2.97Å; S50-Y302 WeakPolarHBondContact OG-CD2 3.46Å; S50-F304 PolarHBondContact O-N 3.01Å; S50-I305 PolarHBondContact O-N 2.85Å
51	I	98.9	Very high	98.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	128.8	175.7	174.7	167.7	0	0	0	107.7	I56 R64 L65 M68 I76 Q77 T78 F103 I305	I51-I56 HydrophobicContact CD1-CD1 3.62Å; I51-I56 HydrophobicContact CG1-CD1 3.48Å; I51-I56 VanDerWaalsContact CG1-CD1 3.48Å; I51-R64 HydrophobicContact CD1-CB 3.86Å; I51-L65 HydrophobicContact CD1-CD2 4.26Å; I51-L65 HydrophobicContact CD1-CG 4.44Å; I51-L65 HydrophobicContact CG2-CD2 4.39Å; I51-M68 HydrophobicContact CB-CE 3.93Å; I51-M68 HydrophobicContact CB-SD 3.78Å; I51-M68 HydrophobicContact CD1-SD 3.83Å; I51-M68 HydrophobicContact CG1-SD 4.37Å; I51-M68 HydrophobicContact CG2-CE 3.7Å; I51-M68 HydrophobicContact CG2-SD 3.82Å; I51-I76 HydrophobicContact CG2-CB 3.99Å; I51-I76 HydrophobicContact CG2-CD1 4.07Å; I51-I76 HydrophobicContact CG2-CG1 4.41Å; I51-I76 HydrophobicContact CG2-CG2 4.43Å; I51-Q77 PolarHBondContact N-O 3.15Å; I51-T78 VanDerWaalsContact O-CB 3.22Å; I51-T78 WeakPolarHBondContact O-CB 3.49Å; I51-T78 PolarHBondContact O-OG1 3.47Å; I51-F103 HydrophobicContact CD1-CE2 4.23Å; I51-F103 HydrophobicContact CD1-CZ 4.17Å; I51-F103 HydrophobicContact CG1-CZ 4.23Å; I51-F103 HydrophobicContact CG2-CZ 3.88Å; I51-I305 HydrophobicContact CB-CG2 3.83Å; I51-I305 HydrophobicContact CD1-CG2 3.86Å; I51-I305 HydrophobicContact CG1-CG2 3.67Å
52	H	98.9	Very high	98.7	Very high	6 Å²	6	32.4 Å²	32.4	3%	0.028	16%	0.156	C	C	.	.			trans	-104.5	108.9	177.3	-61.2	162	0	0	0	109.4	S54 R55 Y79 Y302 M303	H52-S54 PolarHBondContact O-N 2.88Å; H52-S54 VanDerWaalsContact O-N 3.17Å; H52-R55 HydrophobicContact CB-CB 4.22Å; H52-R55 HydrophobicContact CB-CG 4.14Å; H52-R55 PolarHBondContact ND1-NH1 2.96Å; H52-R55 VanDerWaalsContact ND1-NH1 3.11Å; H52-R55 PolarHBondContact O-N 2.98Å; H52-Y79 AromaticContact CE1-CD2 3.72Å; H52-Y79 AromaticContact NE2-CD2 3.37Å; H52-Y79 WeakPolarHBondContact NE2-CD2 3.37Å; H52-Y302 AromaticContact CE1-CE2 3.88Å; H52-Y302 AromaticContact CE1-CZ 3.99Å; H52-Y302 PolarHBondContact CE1-OH 2.7Å; H52-Y302 AromaticContact NE2-CE2 3.82Å; H52-M303 VanDerWaalsContact CE1-CE 3.47Å; H52-M303 WeakPolarHBondContact CE1-CE 3.4Å; H52-M303 VanDerWaalsContact CE1-SD 3.56Å
53	Y	98.9	Very high	98.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-58.8	-30.2	-179.3	65.6	-90.8	0	0	0	112.1	R55 I56 W61 T78 Y79 I80 Y84 H85 V100 F103	Y53-R55 PolarHBondContact O-N 2.82Å; Y53-I56 PolarHBondContact O-N 2.77Å; Y53-W61 HydrophobicContact CD2-CZ2 4.18Å; Y53-W61 HydrophobicContact CG-CZ2 4.48Å; Y53-W61 PolarHBondContact O-NE1 2.86Å; Y53-T78 HydrophobicContact CD1-CG2 4.42Å; Y53-Y79 WeakPolarHBondContact CE1-O 3.43Å; Y53-I80 HydrophobicContact CE1-CG1 4.43Å; Y53-I80 WeakPolarHBondContact OH-CG2 3.18Å; Y53-Y84 HydrophobicContact CE2-CD1 4.37Å; Y53-Y84 HydrophobicContact CE2-CE1 4.31Å; Y53-H85 AromaticContact CE2-NE2 3.72Å; Y53-H85 AromaticContact CZ-NE2 3.58Å; Y53-H85 PolarHBondContact OH-NE2 2.86Å; Y53-V100 HydrophobicContact CD1-CG2 4.32Å; Y53-V100 HydrophobicContact CE1-CB 4.24Å; Y53-V100 HydrophobicContact CE1-CG2 3.76Å; Y53-V100 HydrophobicContact CE2-CB 4.24Å; Y53-F103 HydrophobicContact CD1-CD1 4.22Å; Y53-F103 HydrophobicContact CG-CD1 4.46Å; Y53-F103 HydrophobicContact CG-CG 4.42Å
54	S	98.9	Very high	98.8	Very high	9 Å²	9	22 Å²	22	6%	0.063	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-69.1	-12.6	176.6	63.9	0	0	0	0	114.5	H52	H52-S54 PolarHBondContact O-N 2.88Å; H52-S54 VanDerWaalsContact O-N 3.17Å
55	R	98.9	Very high	98.8	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.008	10%	0.102	C	C	.	.	G	3₁₀ helix	trans	-105.1	0.8	178.4	-70.5	-170.8	163.9	131.1	5.8	113.7	H52 Y53 G124 E125 W126 G306 S308 N309	H52-R55 HydrophobicContact CB-CB 4.22Å; H52-R55 HydrophobicContact CB-CG 4.14Å; H52-R55 PolarHBondContact ND1-NH1 2.96Å; H52-R55 VanDerWaalsContact ND1-NH1 3.11Å; H52-R55 PolarHBondContact O-N 2.98Å; Y53-R55 PolarHBondContact O-N 2.82Å; R55-G124 VanDerWaalsContact CZ-O 3.25Å; R55-G124 PolarHBondContact NH1-O 3.15Å; R55-G124 PolarHBondContact NH2-O 2.78Å; R55-E125 PolarHBondContact NH2-O 3.16Å; R55-W126 HydrophobicContact CG-CE3 4.47Å; R55-W126 HydrophobicContact CG-CZ3 4.01Å; R55-G306 WeakPolarHBondContact CB-O 3.44Å; R55-G306 WeakPolarHBondContact CD-O 3.46Å; R55-S308 WeakPolarHBondContact CA-O 3.21Å; R55-S308 WeakPolarHBondContact CB-O 3.45Å; R55-S308 PolarHBondContact O-N 3.31Å; R55-N309 PolarHBondContact NE-OD1 3.46Å; R55-N309 PolarHBondContact NH2-OD1 2.59Å
56	I	98.9	Very high	98.9	Very high	8 Å²	8	20.3 Å²	20.3	4%	0.041	11%	0.105	C	C	.	.	S	Bend	trans	-132	125.7	-174.8	-59.9	168.1	0	0	0	107.6	I51 Y53 R58 W61 R64 I305	I51-I56 HydrophobicContact CD1-CD1 3.62Å; I51-I56 HydrophobicContact CG1-CD1 3.48Å; I51-I56 VanDerWaalsContact CG1-CD1 3.48Å; Y53-I56 PolarHBondContact O-N 2.77Å; I56-R58 PolarHBondContact O-N 2.96Å; I56-W61 PolarHBondContact O-NE1 2.6Å; I56-R64 HydrophobicContact CD1-CG 4.2Å; I56-R64 HydrophobicContact CG2-CG 3.91Å; I56-I305 HydrophobicContact CD1-CD1 4.09Å; I56-I305 HydrophobicContact CD1-CG1 4.39Å; I56-I305 HydrophobicContact CD1-CG2 3.85Å
57	P	98.7	Very high	98.9	Very high	9 Å²	9	20.1 Å²	20.1	6%	0.058	11%	0.105	C	C	.	.			trans	-57	140.3	175.1	-23.1	34.1	0	0	0	110.9	A59 Y60 F310 P595	P57-A59 PolarHBondContact O-N 3.23Å; P57-A59 VanDerWaalsContact O-N 3.09Å; P57-Y60 HydrophobicContact CB-CD2 4.43Å; P57-Y60 HydrophobicContact CG-CD2 4.34Å; P57-Y60 PolarHBondContact O-N 3.12Å; P57-F310 HydrophobicContact CG-CE2 4.03Å; P57-F310 HydrophobicContact CG-CZ 4.21Å; P57-P595 HydrophobicContact CG-CB 3.98Å; P57-P595 HydrophobicContact CG-CG 3.9Å
58	R	98.8	Very high	98.9	Very high	72 Å²	72	20 Å²	20	27%	0.272	10%	0.104	S	C	.	.	H	α-helix	trans	-54.8	-33.8	-177.1	172	170.7	175.1	164.3	5.2	113.5	I56 Y60 W61 G96 D97 D99	I56-R58 PolarHBondContact O-N 2.96Å; R58-Y60 PolarHBondContact O-N 3.48Å; R58-W61 HydrophobicContact CB-CD2 4.04Å; R58-W61 HydrophobicContact CB-CE3 4.11Å; R58-W61 HydrophobicContact CB-CH2 4.05Å; R58-W61 HydrophobicContact CB-CZ2 3.97Å; R58-W61 HydrophobicContact CB-CZ3 4.12Å; R58-W61 HydrophobicContact CG-CD2 4.09Å; R58-W61 HydrophobicContact CG-CE3 3.7Å; R58-W61 HydrophobicContact CG-CH2 4.16Å; R58-W61 HydrophobicContact CG-CZ2 4.5Å; R58-W61 HydrophobicContact CG-CZ3 3.75Å; R58-W61 PolarHBondContact O-N 2.81Å; R58-W61 VanDerWaalsContact O-N 3.16Å; R58-G96 WeakPolarHBondContact CD-O 3.47Å; R58-G96 PolarHBondContact NH1-O 2.98Å; R58-D97 WeakPolarHBondContact CB-OD1 3.24Å; R58-D97 PolarHBondContact N-OD1 2.74Å; R58-D99 IonicContact CZ-OD2 2.95Å; R58-D99 VanDerWaalsContact NH1-CB 3.29Å; R58-D99 IonicContact NH1-OD2 2.81Å; R58-D99 PolarHBondContact NH1-OD2 3.02Å; R58-D99 IonicContact NH2-OD2 3.78Å; R58-D99 PolarHBondContact NH2-OD2 2.87Å
59	A	98.5	Very high	98.9	Very high	72 Å²	72	24 Å²	24	60%	0.595	12%	0.12	S	C	*	.	H	α-helix	trans	-53.3	-25.8	175	0	0	0	0	0	113	P57	P57-A59 PolarHBondContact O-N 3.23Å; P57-A59 VanDerWaalsContact O-N 3.09Å
60	Y	98.9	Very high	98.9	Very high	31 Å²	31	24.7 Å²	24.7	12%	0.122	12%	0.123	C	C	.	.	H	α-helix	trans	-105.3	-7.3	-177.3	-68.6	-38	0	0	0	115.4	P57 R58 K62 D63 R64 D559 F593 P595 A596	P57-Y60 HydrophobicContact CB-CD2 4.43Å; P57-Y60 HydrophobicContact CG-CD2 4.34Å; P57-Y60 PolarHBondContact O-N 3.12Å; R58-Y60 PolarHBondContact O-N 3.48Å; Y60-K62 VanDerWaalsContact C-N 3.26Å; Y60-K62 PolarHBondContact O-N 3.04Å; Y60-D63 PolarHBondContact O-N 3.47Å; Y60-D63 VanDerWaalsContact O-N 3.07Å; Y60-R64 VanDerWaalsContact O-CG 3.28Å; Y60-R64 WeakPolarHBondContact O-CG 3.38Å; Y60-R64 PolarHBondContact O-N 2.89Å; Y60-D559 VanDerWaalsContact OH-CG 3.3Å; Y60-D559 PolarHBondContact OH-OD1 2.78Å; Y60-D559 PolarHBondContact OH-OD2 3.47Å; Y60-F593 HydrophobicContact CE2-CZ 4.17Å; Y60-P595 HydrophobicContact CD2-CB 4.37Å; Y60-P595 HydrophobicContact CE2-CB 3.63Å; Y60-A596 WeakPolarHBondContact OH-CB 3.48Å; Y60-A596 PolarHBondContact OH-N 3.15Å
61	W	98.9	Very high	98.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-52.9	-44.5	-178.2	-68.9	-12.2	0	0	0	112.8	Y53 I56 R58 D63 R64 L65 D97 D99 Y102 F103 L106	Y53-W61 HydrophobicContact CD2-CZ2 4.18Å; Y53-W61 HydrophobicContact CG-CZ2 4.48Å; Y53-W61 PolarHBondContact O-NE1 2.86Å; I56-W61 PolarHBondContact O-NE1 2.6Å; R58-W61 HydrophobicContact CB-CD2 4.04Å; R58-W61 HydrophobicContact CB-CE3 4.11Å; R58-W61 HydrophobicContact CB-CH2 4.05Å; R58-W61 HydrophobicContact CB-CZ2 3.97Å; R58-W61 HydrophobicContact CB-CZ3 4.12Å; R58-W61 HydrophobicContact CG-CD2 4.09Å; R58-W61 HydrophobicContact CG-CE3 3.7Å; R58-W61 HydrophobicContact CG-CH2 4.16Å; R58-W61 HydrophobicContact CG-CZ2 4.5Å; R58-W61 HydrophobicContact CG-CZ3 3.75Å; R58-W61 PolarHBondContact O-N 2.81Å; R58-W61 VanDerWaalsContact O-N 3.16Å; W61-D63 PolarHBondContact O-N 2.72Å; W61-R64 PolarHBondContact O-N 2.87Å; W61-L65 WeakPolarHBondContact O-CB 3.47Å; W61-L65 VanDerWaalsContact O-CG 3.26Å; W61-L65 WeakPolarHBondContact O-CG 3.44Å; W61-L65 PolarHBondContact O-N 2.88Å; W61-D97 VanDerWaalsContact CZ2-O 3.29Å; W61-D97 WeakPolarHBondContact CZ2-O 3.41Å; W61-D99 HydrophobicContact CH2-CB 4.46Å; W61-D99 WeakPolarHBondContact CZ3-O 3.5Å; W61-Y102 AromaticContact CE3-CD1 3.85Å; W61-Y102 HydrophobicContact CE3-CD1 3.85Å; W61-Y102 HydrophobicContact CE3-CE1 4.26Å; W61-Y102 AromaticContact CZ3-CD1 3.82Å; W61-Y102 HydrophobicContact CZ3-CD1 3.82Å; W61-F103 HydrophobicContact CB-CD2 4.09Å; W61-F103 HydrophobicContact CB-CE2 4.29Å; W61-F103 HydrophobicContact CD2-CB 4.46Å; W61-F103 AromaticContact CD2-CD2 3.64Å; W61-F103 HydrophobicContact CD2-CD2 3.64Å; W61-F103 HydrophobicContact CD2-CE2 4.43Å; W61-F103 HydrophobicContact CD2-CG 4.5Å; W61-F103 HydrophobicContact CE3-CB 3.9Å; W61-F103 AromaticContact CE3-CD2 3.84Å; W61-F103 HydrophobicContact CE3-CD2 3.84Å; W61-F103 HydrophobicContact CE3-CG 4.37Å; W61-F103 AromaticContact CG-CD2 3.76Å; W61-F103 HydrophobicContact CG-CD2 3.76Å; W61-F103 HydrophobicContact CG-CE2 4.12Å; W61-F103 HydrophobicContact CH2-CB 4.39Å; W61-F103 HydrophobicContact CZ3-CB 3.86Å; W61-L106 HydrophobicContact CB-CD2 3.77Å
62	K	98.9	Very high	98.8	Very high	122 Å²	122	25.1 Å²	25.1	53%	0.53	13%	0.127	S	C	.	.	H	α-helix	trans	-63.4	-43.9	179.6	-175.5	170.9	179.8	175	0	112.1	Y60 R64 L66 L106	Y60-K62 VanDerWaalsContact C-N 3.26Å; Y60-K62 PolarHBondContact O-N 3.04Å; K62-R64 VanDerWaalsContact C-N 3.34Å; K62-R64 PolarHBondContact O-N 3.35Å; K62-L66 HydrophobicContact CG-CD1 3.87Å; K62-L66 HydrophobicContact CG-CG 4.3Å; K62-L66 WeakPolarHBondContact O-CB 3.32Å; K62-L66 VanDerWaalsContact O-CG 3.27Å; K62-L66 WeakPolarHBondContact O-CG 3.41Å; K62-L66 PolarHBondContact O-N 2.92Å; K62-L106 HydrophobicContact CB-CD1 4.17Å; K62-L106 HydrophobicContact CB-CD2 3.97Å; K62-L106 HydrophobicContact CD-CD1 4.32Å; K62-L106 HydrophobicContact CG-CD1 4.18Å
63	D	98.9	Very high	98.8	Very high	33 Å²	33	24.9 Å²	24.9	18%	0.176	13%	0.126	C	C	.	.	H	α-helix	trans	-59.6	-47.2	178	176.2	83.1	0	0	0	110.9	Y60 W61 L66 K67	Y60-D63 PolarHBondContact O-N 3.47Å; Y60-D63 VanDerWaalsContact O-N 3.07Å; W61-D63 PolarHBondContact O-N 2.72Å; D63-L66 PolarHBondContact O-N 2.88Å; D63-K67 WeakPolarHBondContact O-CG 3.1Å; D63-K67 PolarHBondContact O-N 3.2Å; D63-K67 IonicContact OD1-NZ 2.7Å; D63-K67 PolarHBondContact OD1-NZ 3.27Å; D63-K67 WeakPolarHBondContact OD2-CE 3.18Å; D63-K67 IonicContact OD2-NZ 3.59Å; D63-K67 PolarHBondContact OD2-NZ 3.35Å
64	R	98.9	Very high	98.8	Very high	4 Å²	4	27.3 Å²	27.3	2%	0.015	14%	0.139	C	C	.	.	H	α-helix	trans	-68.8	-44.4	-175.6	-46.5	-36.6	173.2	-169.7	1.7	110.9	I51 I56 Y60 W61 K62 L66 K67 M68 I305 A336	I51-R64 HydrophobicContact CD1-CB 3.86Å; I56-R64 HydrophobicContact CD1-CG 4.2Å; I56-R64 HydrophobicContact CG2-CG 3.91Å; Y60-R64 VanDerWaalsContact O-CG 3.28Å; Y60-R64 WeakPolarHBondContact O-CG 3.38Å; Y60-R64 PolarHBondContact O-N 2.89Å; W61-R64 PolarHBondContact O-N 2.87Å; K62-R64 VanDerWaalsContact C-N 3.34Å; K62-R64 PolarHBondContact O-N 3.35Å; R64-L66 PolarHBondContact O-N 2.87Å; R64-K67 PolarHBondContact O-N 3Å; R64-M68 VanDerWaalsContact O-CG 3.27Å; R64-M68 WeakPolarHBondContact O-CG 3.22Å; R64-M68 PolarHBondContact O-N 2.85Å; R64-I305 HydrophobicContact CB-CD1 4.27Å; R64-I305 HydrophobicContact CG-CD1 3.86Å; R64-A336 PolarHBondContact NH1-O 3.46Å; R64-A336 PolarHBondContact NH2-O 3.27Å; R64-A336 VanDerWaalsContact NH2-O 3.09Å
65	L	98.9	Very high	98.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-63.2	-39.4	176.6	-71.1	170.3	0	0	0	112.3	I51 W61 M68 Y69 I76 F103 L106 A107 I110 L112	I51-L65 HydrophobicContact CD1-CD2 4.26Å; I51-L65 HydrophobicContact CD1-CG 4.44Å; I51-L65 HydrophobicContact CG2-CD2 4.39Å; W61-L65 WeakPolarHBondContact O-CB 3.47Å; W61-L65 VanDerWaalsContact O-CG 3.26Å; W61-L65 WeakPolarHBondContact O-CG 3.44Å; W61-L65 PolarHBondContact O-N 2.88Å; L65-M68 HydrophobicContact CD2-SD 4.39Å; L65-M68 WeakPolarHBondContact O-CB 3.2Å; L65-M68 PolarHBondContact O-N 3.13Å; L65-Y69 PolarHBondContact O-N 3.28Å; L65-I76 HydrophobicContact CD2-CG1 4.26Å; L65-I76 HydrophobicContact CD2-CG2 4.04Å; L65-F103 HydrophobicContact CD1-CD2 4.27Å; L65-F103 HydrophobicContact CD1-CE2 3.84Å; L65-F103 HydrophobicContact CD1-CZ 4.35Å; L65-F103 HydrophobicContact CD2-CE2 4.2Å; L65-F103 HydrophobicContact CD2-CZ 3.99Å; L65-F103 HydrophobicContact CG-CE2 4.16Å; L65-F103 HydrophobicContact CG-CZ 4.45Å; L65-L106 HydrophobicContact CD1-CB 4.3Å; L65-L106 HydrophobicContact CD1-CD2 3.96Å; L65-L106 HydrophobicContact CD1-CG 3.87Å; L65-A107 HydrophobicContact CD1-CB 4.37Å; L65-A107 HydrophobicContact CD2-CB 4.48Å; L65-I110 HydrophobicContact CB-CD1 3.44Å; L65-I110 VanDerWaalsContact CB-CD1 3.44Å; L65-I110 HydrophobicContact CD1-CD1 4.21Å; L65-I110 HydrophobicContact CG-CD1 4.48Å; L65-L112 HydrophobicContact CB-CD1 4.26Å; L65-L112 HydrophobicContact CD2-CD1 4.15Å
66	L	98.9	Very high	98.8	Very high	53 Å²	53	26.8 Å²	26.8	28%	0.277	14%	0.136	S	C	.	.	H	α-helix	trans	-65.3	-41.8	175.3	-76.7	173	0	0	0	111.8	K62 D63 R64 M68 Y69 M70 I110 P362	K62-L66 HydrophobicContact CG-CD1 3.87Å; K62-L66 HydrophobicContact CG-CG 4.3Å; K62-L66 WeakPolarHBondContact O-CB 3.32Å; K62-L66 VanDerWaalsContact O-CG 3.27Å; K62-L66 WeakPolarHBondContact O-CG 3.41Å; K62-L66 PolarHBondContact O-N 2.92Å; D63-L66 PolarHBondContact O-N 2.88Å; R64-L66 PolarHBondContact O-N 2.87Å; L66-M68 VanDerWaalsContact C-N 3.31Å; L66-M68 PolarHBondContact O-N 2.82Å; L66-Y69 PolarHBondContact O-N 3.43Å; L66-M70 WeakPolarHBondContact O-CB 3.34Å; L66-M70 VanDerWaalsContact O-CG 3.22Å; L66-M70 WeakPolarHBondContact O-CG 3.48Å; L66-M70 PolarHBondContact O-N 2.91Å; L66-I110 HydrophobicContact CD2-CD1 4.14Å; L66-I110 HydrophobicContact CD2-CG1 3.95Å; L66-I110 HydrophobicContact CD2-CG2 3.97Å; L66-I110 HydrophobicContact CG-CD1 4Å; L66-I110 HydrophobicContact CG-CG1 4.34Å; L66-P362 HydrophobicContact CB-CG 3.81Å
67	K	98.9	Very high	98.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-60.5	-42.3	173.5	-73.3	169.5	173.8	159.6	0	111.6	D63 R64 M70 A71 L333 G337 L339 Y343 I361 P362 P363	D63-K67 WeakPolarHBondContact O-CG 3.1Å; D63-K67 PolarHBondContact O-N 3.2Å; D63-K67 IonicContact OD1-NZ 2.7Å; D63-K67 PolarHBondContact OD1-NZ 3.27Å; D63-K67 WeakPolarHBondContact OD2-CE 3.18Å; D63-K67 IonicContact OD2-NZ 3.59Å; D63-K67 PolarHBondContact OD2-NZ 3.35Å; R64-K67 PolarHBondContact O-N 3Å; K67-M70 PolarHBondContact O-N 2.78Å; K67-A71 PolarHBondContact O-N 2.96Å; K67-L333 HydrophobicContact CB-CD1 3.92Å; K67-L333 HydrophobicContact CB-CD2 4.24Å; K67-L333 HydrophobicContact CD-CD1 4.49Å; K67-L333 HydrophobicContact CD-CD2 4.18Å; K67-G337 PolarHBondContact NZ-O 2.82Å; K67-L339 HydrophobicContact CD-CD2 4.04Å; K67-L339 HydrophobicContact CG-CD2 4.1Å; K67-Y343 WeakPolarHBondContact O-CE2 3.26Å; K67-Y343 PolarHBondContact O-OH 3.12Å; K67-I361 HydrophobicContact CG-CG2 4.42Å; K67-P362 WeakPolarHBondContact CE-O 3.17Å; K67-P362 HydrophobicContact CG-CB 4.06Å; K67-P362 HydrophobicContact CG-CG 4.26Å; K67-P363 WeakPolarHBondContact CE-O 3.39Å; K67-P363 PolarHBondContact NZ-O 3.05Å
68	M	98.9	Very high	98.9	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-59.8	-47.2	174.6	-72.1	173.5	80.7	0	0	112.2	G49 I51 R64 L65 L66 M70 A71 L73 I76 F304 I305 L333	G49-M68 WeakPolarHBondContact O-CE 3.46Å; I51-M68 HydrophobicContact CB-CE 3.93Å; I51-M68 HydrophobicContact CB-SD 3.78Å; I51-M68 HydrophobicContact CD1-SD 3.83Å; I51-M68 HydrophobicContact CG1-SD 4.37Å; I51-M68 HydrophobicContact CG2-CE 3.7Å; I51-M68 HydrophobicContact CG2-SD 3.82Å; R64-M68 VanDerWaalsContact O-CG 3.27Å; R64-M68 WeakPolarHBondContact O-CG 3.22Å; R64-M68 PolarHBondContact O-N 2.85Å; L65-M68 HydrophobicContact CD2-SD 4.39Å; L65-M68 WeakPolarHBondContact O-CB 3.2Å; L65-M68 PolarHBondContact O-N 3.13Å; L66-M68 VanDerWaalsContact C-N 3.31Å; L66-M68 PolarHBondContact O-N 2.82Å; M68-M70 PolarHBondContact O-N 3.35Å; M68-A71 WeakPolarHBondContact O-CB 3.3Å; M68-A71 PolarHBondContact O-N 3.26Å; M68-L73 HydrophobicContact CB-CD1 3.94Å; M68-L73 HydrophobicContact CE-CD1 4.04Å; M68-L73 HydrophobicContact CG-CD1 4.28Å; M68-L73 WeakPolarHBondContact O-CB 3.3Å; M68-L73 WeakPolarHBondContact O-CG 3.37Å; M68-L73 PolarHBondContact O-N 3.14Å; M68-I76 HydrophobicContact CE-CB 4.02Å; M68-I76 HydrophobicContact CE-CG2 3.43Å; M68-I76 VanDerWaalsContact CE-CG2 3.43Å; M68-I76 HydrophobicContact SD-CG2 4.17Å; M68-F304 HydrophobicContact CB-CD1 4.48Å; M68-F304 HydrophobicContact CB-CE1 4.4Å; M68-F304 HydrophobicContact CE-CB 4.07Å; M68-F304 HydrophobicContact CE-CD1 4.33Å; M68-F304 HydrophobicContact CE-CG 4.32Å; M68-F304 HydrophobicContact CG-CD1 3.45Å; M68-F304 VanDerWaalsContact CG-CD1 3.45Å; M68-F304 HydrophobicContact CG-CE1 3.71Å; M68-F304 HydrophobicContact CG-CG 4.27Å; M68-F304 HydrophobicContact SD-CD1 4.4Å; M68-I305 HydrophobicContact SD-CG2 4.43Å; M68-L333 HydrophobicContact CG-CD1 4.36Å
69	Y	98.9	Very high	98.9	Very high	83 Å²	83	22.8 Å²	22.8	33%	0.325	12%	0.119	S	C	.	.	H	α-helix	trans	-59	-47.3	174.4	177.2	-104.4	0	0	0	111.8	L65 L66 A71 G72 I110 L112 P357	L65-Y69 PolarHBondContact O-N 3.28Å; L66-Y69 PolarHBondContact O-N 3.43Å; Y69-A71 PolarHBondContact O-N 2.81Å; Y69-G72 WeakPolarHBondContact O-CA 3.47Å; Y69-G72 PolarHBondContact O-N 3.07Å; Y69-I110 HydrophobicContact CD1-CG2 4.42Å; Y69-I110 HydrophobicContact CD2-CG2 4.24Å; Y69-I110 HydrophobicContact CG-CG2 3.88Å; Y69-L112 HydrophobicContact CD2-CD2 4.18Å; Y69-L112 HydrophobicContact CD2-CG 4.27Å; Y69-P357 HydrophobicContact CD1-CB 4.19Å; Y69-P357 HydrophobicContact CD1-CG 3.75Å; Y69-P357 HydrophobicContact CD2-CG 4.41Å; Y69-P357 HydrophobicContact CE1-CB 3.66Å; Y69-P357 HydrophobicContact CE1-CG 3.36Å; Y69-P357 HydrophobicContact CE2-CG 4.07Å; Y69-P357 HydrophobicContact CG-CG 4.26Å; Y69-P357 WeakPolarHBondContact O-CG 3.33Å
70	M	98.8	Very high	98.9	Very high	15 Å²	15	19.3 Å²	19.3	7%	0.074	9%	0.09	C	C	.	.	H	α-helix	trans	-65.7	-20.2	179.3	-68.4	-55.4	-64.7	0	0	113.7	L66 K67 M68 G72 R347 P357 G359 I361	L66-M70 WeakPolarHBondContact O-CB 3.34Å; L66-M70 VanDerWaalsContact O-CG 3.22Å; L66-M70 WeakPolarHBondContact O-CG 3.48Å; L66-M70 PolarHBondContact O-N 2.91Å; K67-M70 PolarHBondContact O-N 2.78Å; M68-M70 PolarHBondContact O-N 3.35Å; M70-G72 PolarHBondContact O-N 3.22Å; M70-R347 WeakPolarHBondContact O-CD 3.3Å; M70-R347 PolarHBondContact O-NE 2.88Å; M70-P357 HydrophobicContact CE-CB 4.15Å; M70-P357 HydrophobicContact SD-CB 3.67Å; M70-P357 HydrophobicContact SD-CG 4.48Å; M70-G359 WeakPolarHBondContact CE-O 3.24Å; M70-I361 HydrophobicContact CB-CB 4.48Å; M70-I361 HydrophobicContact CB-CG1 4.2Å; M70-I361 HydrophobicContact CB-CG2 4.09Å; M70-I361 HydrophobicContact CE-CG1 4.36Å
71	A	98.8	Very high	98.9	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-12.2	170.3	0	0	0	0	0	113.2	K67 M68 Y69 L73 F304 Y343	K67-A71 PolarHBondContact O-N 2.96Å; M68-A71 WeakPolarHBondContact O-CB 3.3Å; M68-A71 PolarHBondContact O-N 3.26Å; Y69-A71 PolarHBondContact O-N 2.81Å; A71-L73 HydrophobicContact CB-CG 4.46Å; A71-F304 HydrophobicContact CB-CE1 4.44Å; A71-F304 HydrophobicContact CB-CE2 4.18Å; A71-F304 HydrophobicContact CB-CZ 3.53Å; A71-Y343 HydrophobicContact CB-CD2 4.36Å; A71-Y343 HydrophobicContact CB-CE2 3.63Å; A71-Y343 PolarHBondContact N-OH 2.77Å
72	G	98.7	Very high	98.9	Very high	8 Å²	8	18 Å²	18	8%	0.082	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.2	9.5	-175.7	0	0	0	0	0	114	Y69 M70	Y69-G72 WeakPolarHBondContact O-CA 3.47Å; Y69-G72 PolarHBondContact O-N 3.07Å; M70-G72 PolarHBondContact O-N 3.22Å
73	L	98.9	Very high	98.9	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.01	6%	0.061	C	C	.	.			trans	-68.4	137.2	172.4	-56.1	-178.7	0	0	0	109.6	I47 M68 A71 L112 L301 F304 I350	I47-L73 HydrophobicContact CG2-CD2 3.84Å; I47-L73 WeakPolarHBondContact O-CA 3.28Å; M68-L73 HydrophobicContact CB-CD1 3.94Å; M68-L73 HydrophobicContact CE-CD1 4.04Å; M68-L73 HydrophobicContact CG-CD1 4.28Å; M68-L73 WeakPolarHBondContact O-CB 3.3Å; M68-L73 WeakPolarHBondContact O-CG 3.37Å; M68-L73 PolarHBondContact O-N 3.14Å; A71-L73 HydrophobicContact CB-CG 4.46Å; L73-L112 HydrophobicContact CB-CD2 4.46Å; L73-L112 VanDerWaalsContact O-CD2 3.27Å; L73-L112 WeakPolarHBondContact O-CD2 3.23Å; L73-L301 HydrophobicContact CD2-CD1 4.18Å; L73-F304 HydrophobicContact CD1-CD1 4.34Å; L73-F304 HydrophobicContact CD1-CD2 3.62Å; L73-F304 HydrophobicContact CD1-CE1 4.4Å; L73-F304 HydrophobicContact CD1-CE2 3.7Å; L73-F304 HydrophobicContact CD1-CG 3.95Å; L73-F304 HydrophobicContact CD1-CZ 4.1Å; L73-F304 HydrophobicContact CD2-CE2 4.33Å; L73-F304 HydrophobicContact CG-CE2 4.22Å; L73-I350 HydrophobicContact CD2-CD1 3.82Å
74	N	98.8	Very high	98.9	Very high	50 Å²	50	11.5 Å²	11.5	27%	0.267	6%	0.055	S	C	.	.	S	Bend	trans	-106.2	-4.2	175.3	65.8	3.6	0	0	0	112.7	R45 Y46 I47 L113	R45-N74 PolarHBondContact O-ND2 3.45Å; Y46-N74 VanDerWaalsContact CA-OD1 3.26Å; Y46-N74 WeakPolarHBondContact CA-OD1 3.17Å; I47-N74 PolarHBondContact N-OD1 3.34Å; I47-N74 PolarHBondContact O-N 2.86Å; I47-N74 VanDerWaalsContact O-N 3.13Å; I47-N74 PolarHBondContact O-OD1 2.73Å; N74-L113 PolarHBondContact O-N 3.17Å
75	A	98.9	Very high	98.9	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	163.3	173.7	0	0	0	0	0	111.1	S48 G49 L113 I115	S48-A75 VanDerWaalsContact CA-O 3.3Å; S48-A75 WeakPolarHBondContact CA-O 3.18Å; G49-A75 PolarHBondContact N-O 3.24Å; A75-L113 CarbonylContact C-O 3.57Å; A75-L113 WeakPolarHBondContact CA-O 3.45Å; A75-L113 HydrophobicContact CB-CB 3.98Å; A75-I115 HydrophobicContact CB-CD1 3.72Å
76	I	98.9	Very high	98.9	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	154.7	167	63.9	91	0	0	0	109.8	S48 G49 I51 L65 M68 F103 A107 L112 L113 V114 I115	S48-I76 VanDerWaalsContact OG-C 3.29Å; G49-I76 WeakPolarHBondContact O-CA 3.41Å; I51-I76 HydrophobicContact CG2-CB 3.99Å; I51-I76 HydrophobicContact CG2-CD1 4.07Å; I51-I76 HydrophobicContact CG2-CG1 4.41Å; I51-I76 HydrophobicContact CG2-CG2 4.43Å; L65-I76 HydrophobicContact CD2-CG1 4.26Å; L65-I76 HydrophobicContact CD2-CG2 4.04Å; M68-I76 HydrophobicContact CE-CB 4.02Å; M68-I76 HydrophobicContact CE-CG2 3.43Å; M68-I76 VanDerWaalsContact CE-CG2 3.43Å; M68-I76 HydrophobicContact SD-CG2 4.17Å; I76-F103 HydrophobicContact CD1-CE1 3.89Å; I76-F103 HydrophobicContact CD1-CZ 4.33Å; I76-A107 HydrophobicContact CG1-CB 4.35Å; I76-L112 HydrophobicContact CG2-CB 4.4Å; I76-L112 HydrophobicContact CG2-CD1 3.84Å; I76-L112 HydrophobicContact CG2-CD2 4.22Å; I76-L112 HydrophobicContact CG2-CG 4.38Å; I76-L113 PolarHBondContact N-O 3.07Å; I76-V114 HydrophobicContact CD1-CG1 4.19Å; I76-V114 HydrophobicContact CD1-CG2 3.9Å; I76-V114 HydrophobicContact CG1-CG2 4.03Å; I76-V114 CarbonylContact O-C 3.52Å; I76-V114 WeakPolarHBondContact O-CA 3.5Å; I76-I115 PolarHBondContact O-N 3.37Å
77	Q	99	Very high	98.7	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	136.9	173.5	-173.8	167.9	-73.6	0	0	109.8	S48 G49 S50 I51 I115 R117 S263 N300	S48-Q77 PolarHBondContact OG-N 3.43Å; G49-Q77 PolarHBondContact O-N 3.39Å; S50-Q77 WeakPolarHBondContact CA-O 3.46Å; I51-Q77 PolarHBondContact N-O 3.15Å; Q77-I115 WeakPolarHBondContact CA-O 3.28Å; Q77-I115 HydrophobicContact CB-CB 4.16Å; Q77-I115 HydrophobicContact CG-CB 4.05Å; Q77-I115 HydrophobicContact CG-CG2 3.92Å; Q77-I115 VanDerWaalsContact OE1-CG2 3.31Å; Q77-R117 HydrophobicContact CG-CG 4.03Å; Q77-R117 VanDerWaalsContact NE2-NE 3.2Å; Q77-S263 PolarHBondContact NE2-O 3.34Å; Q77-N300 WeakPolarHBondContact CB-OD1 3.37Å; Q77-N300 VanDerWaalsContact CD-CG 3.47Å; Q77-N300 PolarHBondContact NE2-ND2 3.35Å
78	T	98.9	Very high	98.6	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	144.6	178.8	-155.7	0	0	0	0	112.5	I51 Y53 F103 I115 L116 R117	I51-T78 VanDerWaalsContact O-CB 3.22Å; I51-T78 WeakPolarHBondContact O-CB 3.49Å; I51-T78 PolarHBondContact O-OG1 3.47Å; Y53-T78 HydrophobicContact CD1-CG2 4.42Å; T78-F103 HydrophobicContact CG2-CE1 4.18Å; T78-I115 PolarHBondContact N-O 3.16Å; T78-L116 HydrophobicContact CG2-CD1 3.92Å; T78-R117 WeakPolarHBondContact O-CB 3.42Å; T78-R117 PolarHBondContact O-N 3.25Å
79	Y	98.9	Very high	98.5	Very high	5 Å²	5	19.7 Å²	19.7	2%	0.02	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	155.4	170	-78.2	-57.5	0	0	0	111.5	H52 Y53 R117 I122 N183 E264 Y302	H52-Y79 AromaticContact CE1-CD2 3.72Å; H52-Y79 AromaticContact NE2-CD2 3.37Å; H52-Y79 WeakPolarHBondContact NE2-CD2 3.37Å; Y53-Y79 WeakPolarHBondContact CE1-O 3.43Å; Y79-R117 VanDerWaalsContact CA-O 3.28Å; Y79-R117 WeakPolarHBondContact CA-O 3.43Å; Y79-R117 HydrophobicContact CD1-CB 3.33Å; Y79-R117 HydrophobicContact CD1-CG 4.39Å; Y79-R117 WeakPolarHBondContact CD1-O 3.41Å; Y79-R117 HydrophobicContact CE1-CB 3.65Å; Y79-R117 HydrophobicContact CE1-CG 4.42Å; Y79-R117 VanDerWaalsContact CE1-CZ 3.4Å; Y79-R117 VanDerWaalsContact CE1-NE 3.27Å; Y79-R117 HydrophobicContact CG-CB 4.28Å; Y79-R117 PolarHBondContact OH-NH1 3.24Å; Y79-R117 VanDerWaalsContact OH-NH1 3.09Å; Y79-R117 PolarHBondContact OH-NH2 3.27Å; Y79-I122 HydrophobicContact CD1-CB 3.46Å; Y79-I122 VanDerWaalsContact CD1-CB 3.46Å; Y79-I122 HydrophobicContact CD1-CG2 3.46Å; Y79-I122 VanDerWaalsContact CD1-CG2 3.46Å; Y79-I122 HydrophobicContact CD2-CB 4.3Å; Y79-I122 HydrophobicContact CD2-CD1 4.48Å; Y79-I122 HydrophobicContact CE1-CB 3.75Å; Y79-I122 HydrophobicContact CE1-CG2 4.04Å; Y79-I122 WeakPolarHBondContact CE2-O 3.43Å; Y79-I122 HydrophobicContact CG-CB 3.78Å; Y79-I122 HydrophobicContact CG-CD1 4.13Å; Y79-I122 HydrophobicContact CG-CG2 4.02Å; Y79-I122 PolarHBondContact OH-O 2.6Å; Y79-N183 VanDerWaalsContact OH-CG 3.22Å; Y79-N183 PolarHBondContact OH-OD1 3.41Å; Y79-E264 PolarHBondContact OH-OE1 2.73Å; Y79-Y302 AromaticContact CE2-CE2 3.99Å; Y79-Y302 HydrophobicContact CE2-CE2 3.99Å
80	I	98.9	Very high	98.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.113	C	C	.	.			trans	-113.9	101.8	165.9	-56.3	-171.6	0	0	0	108.9	Y53 W82 V100 L116 R117 P118 W157 L161 M165	Y53-I80 HydrophobicContact CE1-CG1 4.43Å; Y53-I80 WeakPolarHBondContact OH-CG2 3.18Å; I80-W82 PolarHBondContact O-N 3.25Å; I80-V100 HydrophobicContact CD1-CG2 4.07Å; I80-V100 HydrophobicContact CG1-CG2 4.36Å; I80-L116 HydrophobicContact CD1-CD1 3.97Å; I80-L116 HydrophobicContact CD1-CD2 4.12Å; I80-L116 HydrophobicContact CD1-CG 4.32Å; I80-L116 HydrophobicContact CG1-CD1 4.18Å; I80-R117 PolarHBondContact N-O 3.37Å; I80-R117 VanDerWaalsContact N-O 3.08Å; I80-P118 HydrophobicContact CD1-CB 4.46Å; I80-W157 HydrophobicContact CG2-CH2 4.36Å; I80-W157 HydrophobicContact CG2-CZ2 3.9Å; I80-L161 HydrophobicContact CB-CD2 4.4Å; I80-L161 HydrophobicContact CD1-CD1 3.77Å; I80-L161 HydrophobicContact CD1-CD2 4.13Å; I80-L161 HydrophobicContact CD1-CG 4.39Å; I80-L161 HydrophobicContact CG2-CD1 3.99Å; I80-L161 HydrophobicContact CG2-CD2 4.07Å; I80-M165 HydrophobicContact CD1-CG 4.42Å; I80-M165 HydrophobicContact CD1-SD 3.82Å
81	P	98.9	Very high	98.4	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.013	14%	0.139	C	C	.	.			trans	-72.2	113.5	178.8	-10	24.8	0	0	0	110.5	N83 Y84 H85 I122 W126	P81-N83 PolarHBondContact O-N 2.88Å; P81-Y84 VanDerWaalsContact O-CB 3.32Å; P81-Y84 WeakPolarHBondContact O-CB 3.3Å; P81-Y84 PolarHBondContact O-N 3.24Å; P81-H85 PolarHBondContact O-CD2 2.74Å; P81-H85 VanDerWaalsContact O-CD2 3.31Å; P81-H85 PolarHBondContact O-N 3.17Å; P81-I122 HydrophobicContact CB-CD1 3.73Å; P81-I122 HydrophobicContact CG-CD1 3.8Å; P81-W126 HydrophobicContact CB-CD2 4.43Å; P81-W126 HydrophobicContact CB-CZ2 4.24Å; P81-W126 HydrophobicContact CG-CD2 4.46Å; P81-W126 HydrophobicContact CG-CZ2 4.31Å
82	W	98.9	Very high	98.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-57.5	-46.6	-177.8	173.8	15.5	0	0	0	112.2	I80 Y84 H85 E86 P120 G130 L131 P132 W134 L135 A153 V154 W157	I80-W82 PolarHBondContact O-N 3.25Å; W82-Y84 PolarHBondContact O-N 2.91Å; W82-Y84 VanDerWaalsContact O-N 3.14Å; W82-H85 PolarHBondContact O-N 2.78Å; W82-E86 PolarHBondContact NE1-OE2 2.86Å; W82-E86 PolarHBondContact O-N 3.46Å; W82-P120 HydrophobicContact CE3-CB 4Å; W82-P120 HydrophobicContact CZ3-CB 4.23Å; W82-G130 CarbonylContact C-O 3.5Å; W82-G130 WeakPolarHBondContact CB-O 3.44Å; W82-G130 PolarHBondContact N-O 2.65Å; W82-L131 HydrophobicContact CE3-CD2 3.92Å; W82-L131 HydrophobicContact CZ3-CD2 4.13Å; W82-P132 HydrophobicContact CB-CG 4.46Å; W82-P132 HydrophobicContact CD2-CG 3.5Å; W82-P132 VanDerWaalsContact CD2-CG 3.5Å; W82-P132 VanDerWaalsContact CE2-CG 3.47Å; W82-P132 VanDerWaalsContact CE3-CD 3.42Å; W82-P132 HydrophobicContact CE3-CG 4.14Å; W82-P132 HydrophobicContact CG-CG 3.63Å; W82-P132 HydrophobicContact CZ2-CG 4.11Å; W82-W134 HydrophobicContact CH2-CH2 4.26Å; W82-W134 AromaticContact CZ2-CH2 3.63Å; W82-W134 HydrophobicContact CZ2-CH2 3.63Å; W82-W134 AromaticContact CZ2-CZ2 3.76Å; W82-W134 HydrophobicContact CZ2-CZ2 3.76Å; W82-L135 HydrophobicContact CH2-CD1 4.12Å; W82-L135 HydrophobicContact CH2-CD2 4.11Å; W82-L135 HydrophobicContact CZ3-CD1 3.94Å; W82-A153 HydrophobicContact CH2-CB 3.77Å; W82-A153 HydrophobicContact CZ2-CB 4.21Å; W82-V154 HydrophobicContact CH2-CG2 4.22Å; W82-V154 HydrophobicContact CZ3-CG2 3.94Å; W82-W157 HydrophobicContact CB-CD2 4.38Å; W82-W157 HydrophobicContact CB-CG 4.48Å; W82-W157 HydrophobicContact CB-CZ2 4.19Å; W82-W157 AromaticContact CD1-CD1 3.84Å; W82-W157 AromaticContact CD1-CD2 3.32Å; W82-W157 AromaticContact CD1-CE2 3.61Å; W82-W157 AromaticContact CD1-CE3 3.73Å; W82-W157 AromaticContact CD1-CG 3.49Å; W82-W157 VanDerWaalsContact CD1-CG 3.49Å; W82-W157 AromaticContact CD1-NE1 3.91Å; W82-W157 HydrophobicContact CD2-CB 4.06Å; W82-W157 AromaticContact CD2-CD1 3.56Å; W82-W157 HydrophobicContact CD2-CD2 4.32Å; W82-W157 AromaticContact CD2-CG 3.7Å; W82-W157 HydrophobicContact CD2-CG 3.7Å; W82-W157 VanDerWaalsContact CE2-CB 3.47Å; W82-W157 AromaticContact CE2-CD1 3.92Å; W82-W157 AromaticContact CE2-CG 3.58Å; W82-W157 AromaticContact CE3-CD1 3.98Å; W82-W157 HydrophobicContact CE3-CG 4.43Å; W82-W157 HydrophobicContact CG-CB 4.45Å; W82-W157 AromaticContact CG-CD1 3.56Å; W82-W157 AromaticContact CG-CD2 3.8Å; W82-W157 HydrophobicContact CG-CD2 3.8Å; W82-W157 AromaticContact CG-CE2 3.73Å; W82-W157 AromaticContact CG-CG 3.69Å; W82-W157 HydrophobicContact CG-CG 3.69Å; W82-W157 HydrophobicContact CG-CZ2 4.43Å; W82-W157 AromaticContact CG-NE1 3.59Å; W82-W157 HydrophobicContact CH2-CB 4.31Å; W82-W157 HydrophobicContact CZ2-CB 3.62Å; W82-W157 HydrophobicContact CZ2-CG 4.21Å; W82-W157 AromaticContact NE1-CD2 3.66Å; W82-W157 AromaticContact NE1-CE3 3.99Å; W82-W157 AromaticContact NE1-CG 3.45Å
83	N	98.8	Very high	98.3	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.016	16%	0.164	C	C	.	.	H	α-helix	trans	-62.5	-19.9	177.8	63.9	2	0	0	0	114.6	P81 E87 W126 D127 G130 L131 P132 W313	P81-N83 PolarHBondContact O-N 2.88Å; N83-E87 WeakPolarHBondContact O-CG 3.33Å; N83-W126 PolarHBondContact OD1-NE1 2.85Å; N83-D127 PolarHBondContact ND2-O 3Å; N83-G130 WeakPolarHBondContact CB-O 3.37Å; N83-G130 VanDerWaalsContact CG-O 3.32Å; N83-G130 PolarHBondContact N-O 3.37Å; N83-G130 PolarHBondContact OD1-O 2.85Å; N83-L131 PolarHBondContact ND2-O 3.42Å; N83-P132 HydrophobicContact CB-CB 4.27Å; N83-P132 HydrophobicContact CB-CG 4.24Å; N83-W313 HydrophobicContact CB-CZ3 4.43Å
84	Y	98.8	Very high	98.3	Very high	16 Å²	16	31.3 Å²	31.3	6%	0.063	17%	0.171	C	C	.	.	H	α-helix	trans	-78.1	-24.4	172.6	-169.2	-115.3	0	0	0	111.6	Y53 P81 W82 R98 W126 W313	Y53-Y84 HydrophobicContact CE2-CD1 4.37Å; Y53-Y84 HydrophobicContact CE2-CE1 4.31Å; P81-Y84 VanDerWaalsContact O-CB 3.32Å; P81-Y84 WeakPolarHBondContact O-CB 3.3Å; P81-Y84 PolarHBondContact O-N 3.24Å; W82-Y84 PolarHBondContact O-N 2.91Å; W82-Y84 VanDerWaalsContact O-N 3.14Å; Y84-R98 HydrophobicContact CD1-CB 4.32Å; Y84-R98 HydrophobicContact CD1-CG 4.08Å; Y84-R98 HydrophobicContact CE1-CB 3.83Å; Y84-R98 HydrophobicContact CE1-CG 3.41Å; Y84-R98 VanDerWaalsContact CE1-CG 3.41Å; Y84-R98 HydrophobicContact CE2-CG 4.45Å; Y84-R98 WeakPolarHBondContact O-CD 3.48Å; Y84-R98 VanDerWaalsContact O-CZ 3.26Å; Y84-R98 PolarHBondContact O-NE 3.35Å; Y84-R98 PolarHBondContact O-NH1 3.16Å; Y84-W126 HydrophobicContact CD2-CH2 4.09Å; Y84-W126 AromaticContact CD2-CZ2 3.82Å; Y84-W126 HydrophobicContact CD2-CZ2 3.82Å; Y84-W126 HydrophobicContact CE2-CH2 4.46Å; Y84-W126 HydrophobicContact CG-CZ2 4.15Å; Y84-W313 HydrophobicContact CD2-CD2 4.31Å; Y84-W313 AromaticContact CD2-CE2 3.67Å; Y84-W313 HydrophobicContact CD2-CH2 4.15Å; Y84-W313 AromaticContact CD2-CZ2 3.61Å; Y84-W313 HydrophobicContact CD2-CZ2 3.61Å; Y84-W313 AromaticContact CD2-NE1 3.92Å; Y84-W313 HydrophobicContact CE2-CZ2 4.18Å; Y84-W313 AromaticContact CE2-NE1 3.8Å
85	H	98.9	Very high	98.2	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-102.2	-24.8	-180	-67.8	-68.9	0	0	0	113.7	Y53 P81 W82 Y92 N93 F94 R98 W157	Y53-H85 AromaticContact CE2-NE2 3.72Å; Y53-H85 AromaticContact CZ-NE2 3.58Å; Y53-H85 PolarHBondContact OH-NE2 2.86Å; P81-H85 PolarHBondContact O-CD2 2.74Å; P81-H85 VanDerWaalsContact O-CD2 3.31Å; P81-H85 PolarHBondContact O-N 3.17Å; W82-H85 PolarHBondContact O-N 2.78Å; H85-Y92 CarbonylContact O-C 3.56Å; H85-Y92 VanDerWaalsContact O-CA 3.22Å; H85-Y92 WeakPolarHBondContact O-CA 3.28Å; H85-N93 PolarHBondContact ND1-O 2.9Å; H85-N93 PolarHBondContact O-N 2.88Å; H85-F94 HydrophobicContact CB-CE1 4.15Å; H85-F94 HydrophobicContact CB-CZ 4.15Å; H85-F94 AromaticContact CE1-CD1 3.86Å; H85-F94 AromaticContact CE1-CE1 3.99Å; H85-F94 AromaticContact CG-CE1 3.7Å; H85-F94 AromaticContact ND1-CD1 3.45Å; H85-F94 WeakPolarHBondContact ND1-CD1 3.33Å; H85-F94 AromaticContact ND1-CE1 3.48Å; H85-F94 WeakPolarHBondContact ND1-CE1 3.43Å; H85-R98 PolarHBondContact CE1-O 3.01Å; H85-W157 HydrophobicContact CB-CH2 3.5Å; H85-W157 VanDerWaalsContact CB-CH2 3.5Å; H85-W157 HydrophobicContact CB-CZ2 4.44Å; H85-W157 HydrophobicContact CB-CZ3 3.88Å
86	E	98.6	Very high	98.2	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.019	20%	0.201	C	C	.	.			trans	-132.4	67.6	-177.6	-166.8	178	-167	0	0	111.3	W82 T88 G90 Y92 W134	W82-E86 PolarHBondContact NE1-OE2 2.86Å; W82-E86 PolarHBondContact O-N 3.46Å; E86-T88 VanDerWaalsContact CG-O 3.3Å; E86-T88 WeakPolarHBondContact CG-O 3.48Å; E86-T88 PolarHBondContact O-N 2.82Å; E86-G90 WeakPolarHBondContact OE1-CA 3.28Å; E86-G90 PolarHBondContact OE1-N 3.33Å; E86-Y92 HydrophobicContact CB-CD1 4.02Å; E86-Y92 HydrophobicContact CB-CE1 4.04Å; E86-Y92 HydrophobicContact CG-CD1 4.06Å; E86-Y92 HydrophobicContact CG-CE1 3.76Å; E86-Y92 WeakPolarHBondContact OE1-CE1 3.18Å; E86-Y92 PolarHBondContact OE1-OH 2.99Å; E86-Y92 WeakPolarHBondContact OE2-CE1 3.44Å; E86-W134 HydrophobicContact CG-CZ2 4.34Å; E86-W134 PolarHBondContact O-NE1 2.88Å
87	E	96	Very high	98.1	Very high	82 Å²	82	36.8 Å²	36.8	38%	0.383	22%	0.215	S	C	.	.	S	Bend	trans	-61.9	-28.5	178.8	-71.9	180	-172.6	0	0	112.8	N83 R98 W313	N83-E87 WeakPolarHBondContact O-CG 3.33Å; E87-R98 IonicContact OE1-CZ 3.84Å; E87-R98 IonicContact OE1-NH1 2.7Å; E87-R98 PolarHBondContact OE1-NH1 2.89Å; E87-R98 IonicContact OE1-NH2 2.59Å; E87-R98 PolarHBondContact OE1-NH2 3.16Å; E87-W313 HydrophobicContact CG-CH2 4.29Å
88	T	95.8	Very high	98.1	Very high	67 Å²	67	38.7 Å²	38.7	41%	0.411	22%	0.222	S	C	.	.	B	Isolated β-bridge	trans	-127.1	138.9	174.2	-61.4	0	0	0	0	108.8	E86 G90 Q91	E86-T88 VanDerWaalsContact CG-O 3.3Å; E86-T88 WeakPolarHBondContact CG-O 3.48Å; E86-T88 PolarHBondContact O-N 2.82Å; T88-G90 PolarHBondContact O-N 2.76Å; T88-Q91 HydrophobicContact CG2-CG 4.35Å; T88-Q91 PolarHBondContact O-N 2.98Å
89	P	97.1	Very high	98.1	Very high	75 Å²	75	40.1 Å²	40.1	49%	0.487	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.3	126.5	-178.6	-23.8	30.3	0	0	0	112.8	Q91 W134	P89-Q91 VanDerWaalsContact C-N 3.27Å; P89-Q91 PolarHBondContact O-N 2.79Å; P89-W134 HydrophobicContact CB-CD2 4.47Å; P89-W134 HydrophobicContact CB-CZ2 4.5Å; P89-W134 HydrophobicContact CG-CB 4.27Å; P89-W134 HydrophobicContact CG-CD2 3.55Å; P89-W134 HydrophobicContact CG-CE3 3.82Å; P89-W134 HydrophobicContact CG-CG 3.75Å; P89-W134 HydrophobicContact CG-CZ2 4.39Å; P89-W134 HydrophobicContact CG-CZ3 4.35Å
90	G	97	Very high	98.1	Very high	51 Å²	51	39.9 Å²	39.9	53%	0.526	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	-0.3	179.6	0	0	0	0	0	115.6	E86 T88	E86-G90 WeakPolarHBondContact OE1-CA 3.28Å; E86-G90 PolarHBondContact OE1-N 3.33Å; T88-G90 PolarHBondContact O-N 2.76Å
91	Q	98.1	Very high	98.1	Very high	131 Å²	131	42.9 Å²	42.9	61%	0.612	24%	0.243	S	C	*	.	B	Isolated β-bridge	trans	-107.1	103.3	177.9	-61.3	-169.1	27.5	0	0	110.5	T88 P89	T88-Q91 HydrophobicContact CG2-CG 4.35Å; T88-Q91 PolarHBondContact O-N 2.98Å; P89-Q91 VanDerWaalsContact C-N 3.27Å; P89-Q91 PolarHBondContact O-N 2.79Å
92	Y	98.1	Very high	98.1	Very high	77 Å²	77	47.2 Å²	47.2	30%	0.302	26%	0.26	S	S	.	.			trans	-98.3	135.4	-175.9	-54.3	-72.2	0	0	0	112.4	H85 E86 F94 W157 K160	H85-Y92 CarbonylContact O-C 3.56Å; H85-Y92 VanDerWaalsContact O-CA 3.22Å; H85-Y92 WeakPolarHBondContact O-CA 3.28Å; E86-Y92 HydrophobicContact CB-CD1 4.02Å; E86-Y92 HydrophobicContact CB-CE1 4.04Å; E86-Y92 HydrophobicContact CG-CD1 4.06Å; E86-Y92 HydrophobicContact CG-CE1 3.76Å; E86-Y92 WeakPolarHBondContact OE1-CE1 3.18Å; E86-Y92 PolarHBondContact OE1-OH 2.99Å; E86-Y92 WeakPolarHBondContact OE2-CE1 3.44Å; Y92-F94 HydrophobicContact CD1-CE2 4.49Å; Y92-F94 HydrophobicContact CG-CE2 4.35Å; Y92-W157 HydrophobicContact CD1-CE3 4.18Å; Y92-W157 AromaticContact CD1-CZ3 3.98Å; Y92-W157 HydrophobicContact CD1-CZ3 3.98Å; Y92-W157 AromaticContact CE1-CE3 3.85Å; Y92-W157 HydrophobicContact CE1-CE3 3.85Å; Y92-W157 HydrophobicContact CE1-CZ3 4.13Å; Y92-K160 HydrophobicContact CD1-CG 4.04Å; Y92-K160 HydrophobicContact CD2-CD 4.25Å; Y92-K160 HydrophobicContact CD2-CG 3.97Å; Y92-K160 HydrophobicContact CE1-CB 4.23Å; Y92-K160 HydrophobicContact CE1-CG 4.01Å; Y92-K160 HydrophobicContact CE2-CB 4.32Å; Y92-K160 HydrophobicContact CE2-CD 4.37Å; Y92-K160 HydrophobicContact CE2-CG 3.94Å; Y92-K160 HydrophobicContact CG-CG 4.03Å
93	N	98.1	Very high	98.1	Very high	57 Å²	57	47.2 Å²	47.2	31%	0.305	26%	0.26	S	S	.	.			trans	-120.4	114.1	171.1	-173.2	0.1	0	0	0	111.4	H85 S95 R98	H85-N93 PolarHBondContact ND1-O 2.9Å; H85-N93 PolarHBondContact O-N 2.88Å; N93-S95 PolarHBondContact OD1-N 2.91Å; N93-S95 PolarHBondContact OD1-OG 3.35Å; N93-R98 WeakPolarHBondContact O-CB 3.06Å
94	F	98.2	Very high	98.1	Very high	36 Å²	36	47.1 Å²	47.1	16%	0.158	26%	0.259	C	S	.	.			trans	-122.2	29.4	175.4	-66.8	-77.5	0	0	0	111.9	H85 Y92 R98 D99 V100 W157 K160 L161	H85-F94 HydrophobicContact CB-CE1 4.15Å; H85-F94 HydrophobicContact CB-CZ 4.15Å; H85-F94 AromaticContact CE1-CD1 3.86Å; H85-F94 AromaticContact CE1-CE1 3.99Å; H85-F94 AromaticContact CG-CE1 3.7Å; H85-F94 AromaticContact ND1-CD1 3.45Å; H85-F94 WeakPolarHBondContact ND1-CD1 3.33Å; H85-F94 AromaticContact ND1-CE1 3.48Å; H85-F94 WeakPolarHBondContact ND1-CE1 3.43Å; Y92-F94 HydrophobicContact CD1-CE2 4.49Å; Y92-F94 HydrophobicContact CG-CE2 4.35Å; F94-R98 CarbonylContact C-O 3.5Å; F94-R98 WeakPolarHBondContact CA-O 3.33Å; F94-D99 VanDerWaalsContact O-CA 3.29Å; F94-D99 WeakPolarHBondContact O-CA 3.18Å; F94-D99 WeakPolarHBondContact O-CB 3.4Å; F94-V100 HydrophobicContact CD1-CG1 3.96Å; F94-V100 HydrophobicContact CE1-CG1 4.13Å; F94-W157 HydrophobicContact CE1-CH2 4.29Å; F94-W157 AromaticContact CZ-CH2 3.83Å; F94-W157 HydrophobicContact CZ-CH2 3.83Å; F94-W157 AromaticContact CZ-CZ3 3.84Å; F94-W157 HydrophobicContact CZ-CZ3 3.84Å; F94-K160 HydrophobicContact CE2-CG 4.42Å; F94-L161 HydrophobicContact CE1-CD1 4.29Å; F94-L161 HydrophobicContact CZ-CD1 4.38Å
95	S	98.1	Very high	98.1	Very high	73 Å²	73	51 Å²	51	51%	0.51	28%	0.276	S	S	.	.	S	Bend	trans	-112.4	161.3	-177.3	70	0	0	0	0	112.2	N93 D97 R98	N93-S95 PolarHBondContact OD1-N 2.91Å; N93-S95 PolarHBondContact OD1-OG 3.35Å; S95-D97 PolarHBondContact O-N 3.26Å; S95-R98 WeakPolarHBondContact O-CA 3.14Å; S95-R98 WeakPolarHBondContact O-CB 3.44Å; S95-R98 PolarHBondContact O-N 3.34Å
96	G	97.9	Very high	98.1	Very high	38 Å²	38	51.5 Å²	51.5	39%	0.392	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	59.2	-126.9	177.9	0	0	0	0	0	111.9	R58 R98 D99	R58-G96 WeakPolarHBondContact CD-O 3.47Å; R58-G96 PolarHBondContact NH1-O 2.98Å; G96-R98 PolarHBondContact O-N 2.79Å; G96-D99 VanDerWaalsContact O-CB 3.29Å; G96-D99 WeakPolarHBondContact O-CB 3.47Å; G96-D99 PolarHBondContact O-N 3.21Å
97	D	98.1	Very high	98.1	Very high	55 Å²	55	51.3 Å²	51.3	29%	0.294	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-67.7	-6.9	175.4	-66.8	-26.6	0	0	0	113.7	R58 W61 S95	R58-D97 WeakPolarHBondContact CB-OD1 3.24Å; R58-D97 PolarHBondContact N-OD1 2.74Å; W61-D97 VanDerWaalsContact CZ2-O 3.29Å; W61-D97 WeakPolarHBondContact CZ2-O 3.41Å; S95-D97 PolarHBondContact O-N 3.26Å
98	R	98.6	Very high	98.3	Very high	39 Å²	39	51 Å²	51	15%	0.147	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-100.7	6.7	177.4	-39.6	-149.3	175.2	172.7	-1.9	113.2	Y84 H85 E87 N93 F94 S95 G96 V100	Y84-R98 HydrophobicContact CD1-CB 4.32Å; Y84-R98 HydrophobicContact CD1-CG 4.08Å; Y84-R98 HydrophobicContact CE1-CB 3.83Å; Y84-R98 HydrophobicContact CE1-CG 3.41Å; Y84-R98 VanDerWaalsContact CE1-CG 3.41Å; Y84-R98 HydrophobicContact CE2-CG 4.45Å; Y84-R98 WeakPolarHBondContact O-CD 3.48Å; Y84-R98 VanDerWaalsContact O-CZ 3.26Å; Y84-R98 PolarHBondContact O-NE 3.35Å; Y84-R98 PolarHBondContact O-NH1 3.16Å; H85-R98 PolarHBondContact CE1-O 3.01Å; E87-R98 IonicContact OE1-CZ 3.84Å; E87-R98 IonicContact OE1-NH1 2.7Å; E87-R98 PolarHBondContact OE1-NH1 2.89Å; E87-R98 IonicContact OE1-NH2 2.59Å; E87-R98 PolarHBondContact OE1-NH2 3.16Å; N93-R98 WeakPolarHBondContact O-CB 3.06Å; F94-R98 CarbonylContact C-O 3.5Å; F94-R98 WeakPolarHBondContact CA-O 3.33Å; S95-R98 WeakPolarHBondContact O-CA 3.14Å; S95-R98 WeakPolarHBondContact O-CB 3.44Å; S95-R98 PolarHBondContact O-N 3.34Å; G96-R98 PolarHBondContact O-N 2.79Å; R98-V100 VanDerWaalsContact C-N 3.33Å; R98-V100 PolarHBondContact O-N 3.46Å
99	D	98.8	Very high	98.4	Very high	31 Å²	31	54.2 Å²	54.2	17%	0.166	29%	0.291	C	S	.	.			trans	-81.6	75.5	-177	-168.6	-13.2	0	0	0	111.7	R58 W61 F94 G96 E101 Y102 F103	R58-D99 IonicContact CZ-OD2 2.95Å; R58-D99 VanDerWaalsContact NH1-CB 3.29Å; R58-D99 IonicContact NH1-OD2 2.81Å; R58-D99 PolarHBondContact NH1-OD2 3.02Å; R58-D99 IonicContact NH2-OD2 3.78Å; R58-D99 PolarHBondContact NH2-OD2 2.87Å; W61-D99 HydrophobicContact CH2-CB 4.46Å; W61-D99 WeakPolarHBondContact CZ3-O 3.5Å; F94-D99 VanDerWaalsContact O-CA 3.29Å; F94-D99 WeakPolarHBondContact O-CA 3.18Å; F94-D99 WeakPolarHBondContact O-CB 3.4Å; G96-D99 VanDerWaalsContact O-CB 3.29Å; G96-D99 WeakPolarHBondContact O-CB 3.47Å; G96-D99 PolarHBondContact O-N 3.21Å; D99-E101 PolarHBondContact O-N 3.24Å; D99-Y102 PolarHBondContact O-N 2.84Å; D99-Y102 VanDerWaalsContact OD1-CB 3.24Å; D99-Y102 WeakPolarHBondContact OD1-CB 3.42Å; D99-Y102 PolarHBondContact OD1-N 2.84Å; D99-Y102 WeakPolarHBondContact OD2-CB 3.31Å; D99-F103 PolarHBondContact O-N 3Å
100	V	98.8	Very high	98.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.6	-31.8	178.5	65.8	0	0	0	0	111.8	Y53 I80 F94 R98 Y102 F103 L104 M165	Y53-V100 HydrophobicContact CD1-CG2 4.32Å; Y53-V100 HydrophobicContact CE1-CB 4.24Å; Y53-V100 HydrophobicContact CE1-CG2 3.76Å; Y53-V100 HydrophobicContact CE2-CB 4.24Å; I80-V100 HydrophobicContact CD1-CG2 4.07Å; I80-V100 HydrophobicContact CG1-CG2 4.36Å; F94-V100 HydrophobicContact CD1-CG1 3.96Å; F94-V100 HydrophobicContact CE1-CG1 4.13Å; R98-V100 VanDerWaalsContact C-N 3.33Å; R98-V100 PolarHBondContact O-N 3.46Å; V100-Y102 PolarHBondContact O-N 2.8Å; V100-F103 WeakPolarHBondContact O-CB 3.35Å; V100-F103 PolarHBondContact O-N 2.79Å; V100-L104 HydrophobicContact CG2-CD1 4.43Å; V100-L104 HydrophobicContact CG2-CG 4.42Å; V100-L104 VanDerWaalsContact O-CG 3.26Å; V100-L104 WeakPolarHBondContact O-CG 3.29Å; V100-L104 PolarHBondContact O-N 2.98Å; V100-M165 HydrophobicContact CG1-CE 3.9Å; V100-M165 HydrophobicContact CG1-SD 4.49Å
101	E	98.8	Very high	98.5	Very high	62 Å²	62	51.7 Å²	51.7	29%	0.29	27%	0.273	S	S	.	.	H	α-helix	trans	-61.4	-43.9	175.5	-74.6	-172.4	-106.3	0	0	111.8	D99 K105 T164 M165 Y168	D99-E101 PolarHBondContact O-N 3.24Å; E101-K105 WeakPolarHBondContact O-CG 3.41Å; E101-K105 PolarHBondContact O-N 3.46Å; E101-K105 VanDerWaalsContact O-N 3.11Å; E101-T164 HydrophobicContact CG-CG2 3.72Å; E101-T164 VanDerWaalsContact OE1-CG2 3.25Å; E101-T164 WeakPolarHBondContact OE1-CG2 3.44Å; E101-M165 HydrophobicContact CG-CE 4.15Å; E101-Y168 HydrophobicContact CB-CE2 4.16Å; E101-Y168 WeakPolarHBondContact CB-OH 3.31Å; E101-Y168 HydrophobicContact CG-CE2 3.89Å; E101-Y168 PolarHBondContact O-OH 3.34Å
102	Y	98.9	Very high	98.5	Very high	94 Å²	94	45.6 Å²	45.6	37%	0.369	25%	0.245	S	C	.	.	H	α-helix	trans	-67.7	-39.7	173	178.6	-99	0	0	0	112.1	W61 D99 V100 L104 K105 L106	W61-Y102 AromaticContact CE3-CD1 3.85Å; W61-Y102 HydrophobicContact CE3-CD1 3.85Å; W61-Y102 HydrophobicContact CE3-CE1 4.26Å; W61-Y102 AromaticContact CZ3-CD1 3.82Å; W61-Y102 HydrophobicContact CZ3-CD1 3.82Å; D99-Y102 PolarHBondContact O-N 2.84Å; D99-Y102 VanDerWaalsContact OD1-CB 3.24Å; D99-Y102 WeakPolarHBondContact OD1-CB 3.42Å; D99-Y102 PolarHBondContact OD1-N 2.84Å; D99-Y102 WeakPolarHBondContact OD2-CB 3.31Å; V100-Y102 PolarHBondContact O-N 2.8Å; Y102-L104 VanDerWaalsContact C-N 3.31Å; Y102-L104 PolarHBondContact O-N 2.81Å; Y102-K105 PolarHBondContact O-N 2.84Å; Y102-L106 HydrophobicContact CE1-CD2 4.17Å; Y102-L106 WeakPolarHBondContact O-CB 3.06Å; Y102-L106 PolarHBondContact O-N 2.86Å
103	F	98.9	Very high	98.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-58.5	-43.2	176	-178.3	-103.4	0	0	0	112.1	I51 Y53 W61 L65 I76 T78 D99 V100 L106 A107	I51-F103 HydrophobicContact CD1-CE2 4.23Å; I51-F103 HydrophobicContact CD1-CZ 4.17Å; I51-F103 HydrophobicContact CG1-CZ 4.23Å; I51-F103 HydrophobicContact CG2-CZ 3.88Å; Y53-F103 HydrophobicContact CD1-CD1 4.22Å; Y53-F103 HydrophobicContact CG-CD1 4.46Å; Y53-F103 HydrophobicContact CG-CG 4.42Å; W61-F103 HydrophobicContact CB-CD2 4.09Å; W61-F103 HydrophobicContact CB-CE2 4.29Å; W61-F103 HydrophobicContact CD2-CB 4.46Å; W61-F103 AromaticContact CD2-CD2 3.64Å; W61-F103 HydrophobicContact CD2-CD2 3.64Å; W61-F103 HydrophobicContact CD2-CE2 4.43Å; W61-F103 HydrophobicContact CD2-CG 4.5Å; W61-F103 HydrophobicContact CE3-CB 3.9Å; W61-F103 AromaticContact CE3-CD2 3.84Å; W61-F103 HydrophobicContact CE3-CD2 3.84Å; W61-F103 HydrophobicContact CE3-CG 4.37Å; W61-F103 AromaticContact CG-CD2 3.76Å; W61-F103 HydrophobicContact CG-CD2 3.76Å; W61-F103 HydrophobicContact CG-CE2 4.12Å; W61-F103 HydrophobicContact CH2-CB 4.39Å; W61-F103 HydrophobicContact CZ3-CB 3.86Å; L65-F103 HydrophobicContact CD1-CD2 4.27Å; L65-F103 HydrophobicContact CD1-CE2 3.84Å; L65-F103 HydrophobicContact CD1-CZ 4.35Å; L65-F103 HydrophobicContact CD2-CE2 4.2Å; L65-F103 HydrophobicContact CD2-CZ 3.99Å; L65-F103 HydrophobicContact CG-CE2 4.16Å; L65-F103 HydrophobicContact CG-CZ 4.45Å; I76-F103 HydrophobicContact CD1-CE1 3.89Å; I76-F103 HydrophobicContact CD1-CZ 4.33Å; T78-F103 HydrophobicContact CG2-CE1 4.18Å; D99-F103 PolarHBondContact O-N 3Å; V100-F103 WeakPolarHBondContact O-CB 3.35Å; V100-F103 PolarHBondContact O-N 2.79Å; F103-L106 PolarHBondContact O-N 2.9Å; F103-A107 PolarHBondContact O-N 3.18Å
104	L	98.9	Very high	98.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.4	-44.2	176.1	-66.7	172.2	0	0	0	112.2	V100 Y102 L106 A107 Q108 V114 L116 M165 Y168 I176	V100-L104 HydrophobicContact CG2-CD1 4.43Å; V100-L104 HydrophobicContact CG2-CG 4.42Å; V100-L104 VanDerWaalsContact O-CG 3.26Å; V100-L104 WeakPolarHBondContact O-CG 3.29Å; V100-L104 PolarHBondContact O-N 2.98Å; Y102-L104 VanDerWaalsContact C-N 3.31Å; Y102-L104 PolarHBondContact O-N 2.81Å; L104-L106 VanDerWaalsContact C-N 3.28Å; L104-L106 PolarHBondContact O-N 2.96Å; L104-A107 PolarHBondContact O-N 2.86Å; L104-Q108 PolarHBondContact O-N 2.98Å; L104-V114 HydrophobicContact CD2-CB 4.25Å; L104-V114 HydrophobicContact CD2-CG1 3.73Å; L104-V114 HydrophobicContact CD2-CG2 3.92Å; L104-L116 HydrophobicContact CD2-CD1 4.4Å; L104-M165 HydrophobicContact CD1-CE 4.27Å; L104-M165 HydrophobicContact CD1-SD 3.69Å; L104-Y168 HydrophobicContact CB-CD1 3.94Å; L104-Y168 HydrophobicContact CB-CE1 4.17Å; L104-Y168 HydrophobicContact CB-CG 4.33Å; L104-Y168 HydrophobicContact CD1-CD1 4.41Å; L104-Y168 HydrophobicContact CD1-CD2 4.17Å; L104-Y168 HydrophobicContact CD1-CG 3.97Å; L104-I176 HydrophobicContact CD1-CD1 4.06Å; L104-I176 HydrophobicContact CD2-CD1 4.48Å; L104-I176 HydrophobicContact CD2-CG1 4.3Å
105	K	98.9	Very high	98.7	Very high	99 Å²	99	38.5 Å²	38.5	43%	0.43	21%	0.213	S	C	.	.	H	α-helix	trans	-57.1	-44.6	173.6	-72.7	176	169.4	132.1	0	111.1	E101 Y102 A107 Q108 D109 Y168	E101-K105 WeakPolarHBondContact O-CG 3.41Å; E101-K105 PolarHBondContact O-N 3.46Å; E101-K105 VanDerWaalsContact O-N 3.11Å; Y102-K105 PolarHBondContact O-N 2.84Å; K105-A107 PolarHBondContact O-N 2.86Å; K105-Q108 WeakPolarHBondContact O-CB 3.45Å; K105-Q108 PolarHBondContact O-N 3.49Å; K105-D109 VanDerWaalsContact O-CG 3.26Å; K105-D109 PolarHBondContact O-N 3.12Å; K105-Y168 HydrophobicContact CD-CE1 4.36Å; K105-Y168 WeakPolarHBondContact CE-OH 3.05Å; K105-Y168 HydrophobicContact CG-CE1 3.54Å; K105-Y168 PolarHBondContact NZ-OH 2.94Å
106	L	98.9	Very high	98.7	Very high	11 Å²	11	35.1 Å²	35.1	6%	0.058	19%	0.19	C	C	.	.	H	α-helix	trans	-65.2	-39.6	-179.3	-176	61.5	0	0	0	112.5	W61 K62 L65 Y102 F103 L104 Q108 D109 I110	W61-L106 HydrophobicContact CB-CD2 3.77Å; K62-L106 HydrophobicContact CB-CD1 4.17Å; K62-L106 HydrophobicContact CB-CD2 3.97Å; K62-L106 HydrophobicContact CD-CD1 4.32Å; K62-L106 HydrophobicContact CG-CD1 4.18Å; L65-L106 HydrophobicContact CD1-CB 4.3Å; L65-L106 HydrophobicContact CD1-CD2 3.96Å; L65-L106 HydrophobicContact CD1-CG 3.87Å; Y102-L106 HydrophobicContact CE1-CD2 4.17Å; Y102-L106 WeakPolarHBondContact O-CB 3.06Å; Y102-L106 PolarHBondContact O-N 2.86Å; F103-L106 PolarHBondContact O-N 2.9Å; L104-L106 VanDerWaalsContact C-N 3.28Å; L104-L106 PolarHBondContact O-N 2.96Å; L106-Q108 VanDerWaalsContact C-N 3.34Å; L106-D109 PolarHBondContact O-N 3.04Å; L106-I110 HydrophobicContact CD1-CD1 4.32Å; L106-I110 HydrophobicContact CG-CD1 4.25Å; L106-I110 WeakPolarHBondContact O-CD1 3.38Å; L106-I110 VanDerWaalsContact O-CG1 3.31Å; L106-I110 WeakPolarHBondContact O-CG1 3.49Å; L106-I110 PolarHBondContact O-N 2.87Å
107	A	98.9	Very high	98.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61.6	-44.4	172.8	0	0	0	0	0	111.2	L65 I76 F103 L104 K105 I110 G111 L112 V114	L65-A107 HydrophobicContact CD1-CB 4.37Å; L65-A107 HydrophobicContact CD2-CB 4.48Å; I76-A107 HydrophobicContact CG1-CB 4.35Å; F103-A107 PolarHBondContact O-N 3.18Å; L104-A107 PolarHBondContact O-N 2.86Å; K105-A107 PolarHBondContact O-N 2.86Å; A107-I110 PolarHBondContact O-N 2.84Å; A107-G111 PolarHBondContact O-N 2.81Å; A107-L112 CarbonylContact C-O 3.54Å; A107-L112 HydrophobicContact CB-CB 4.38Å; A107-L112 WeakPolarHBondContact O-CB 3.07Å; A107-L112 PolarHBondContact O-N 2.89Å; A107-V114 HydrophobicContact CB-CG2 4.03Å
108	Q	98.6	Very high	98.8	Very high	76 Å²	76	30.7 Å²	30.7	36%	0.355	16%	0.157	S	C	.	.	H	α-helix	trans	-60.8	-46.9	176.3	-175.8	174	8.1	0	0	112.5	L104 K105 L106 I110 G111 G173 P175	L104-Q108 PolarHBondContact O-N 2.98Å; K105-Q108 WeakPolarHBondContact O-CB 3.45Å; K105-Q108 PolarHBondContact O-N 3.49Å; L106-Q108 VanDerWaalsContact C-N 3.34Å; Q108-I110 PolarHBondContact O-N 2.76Å; Q108-G111 WeakPolarHBondContact O-CA 3.21Å; Q108-G111 PolarHBondContact O-N 2.02Å; Q108-G173 PolarHBondContact NE2-O 2.67Å; Q108-P175 HydrophobicContact CB-CB 3.96Å; Q108-P175 HydrophobicContact CB-CG 3.99Å; Q108-P175 HydrophobicContact CG-CB 4.41Å
109	D	98.7	Very high	98.8	Very high	134 Å²	134	28.9 Å²	28.9	72%	0.717	15%	0.151	S	C	*	.	H	α-helix	trans	-61.7	-30.5	-179.9	-71.4	-17.8	0	0	0	112.4	K105 L106 G111	K105-D109 VanDerWaalsContact O-CG 3.26Å; K105-D109 PolarHBondContact O-N 3.12Å; L106-D109 PolarHBondContact O-N 3.04Å; D109-G111 VanDerWaalsContact C-N 3.31Å
110	I	98.6	Very high	98.8	Very high	23 Å²	23	27.4 Å²	27.4	12%	0.118	14%	0.143	C	C	.	.	H	α-helix	trans	-77	-20	174.5	-69.5	167.7	0	0	0	111.6	L65 L66 Y69 L106 A107 Q108 L112	L65-I110 HydrophobicContact CB-CD1 3.44Å; L65-I110 VanDerWaalsContact CB-CD1 3.44Å; L65-I110 HydrophobicContact CD1-CD1 4.21Å; L65-I110 HydrophobicContact CG-CD1 4.48Å; L66-I110 HydrophobicContact CD2-CD1 4.14Å; L66-I110 HydrophobicContact CD2-CG1 3.95Å; L66-I110 HydrophobicContact CD2-CG2 3.97Å; L66-I110 HydrophobicContact CG-CD1 4Å; L66-I110 HydrophobicContact CG-CG1 4.34Å; Y69-I110 HydrophobicContact CD1-CG2 4.42Å; Y69-I110 HydrophobicContact CD2-CG2 4.24Å; Y69-I110 HydrophobicContact CG-CG2 3.88Å; L106-I110 HydrophobicContact CD1-CD1 4.32Å; L106-I110 HydrophobicContact CG-CD1 4.25Å; L106-I110 WeakPolarHBondContact O-CD1 3.38Å; L106-I110 VanDerWaalsContact O-CG1 3.31Å; L106-I110 WeakPolarHBondContact O-CG1 3.49Å; L106-I110 PolarHBondContact O-N 2.87Å; A107-I110 PolarHBondContact O-N 2.84Å; Q108-I110 PolarHBondContact O-N 2.76Å; I110-L112 HydrophobicContact CB-CD1 4.48Å; I110-L112 HydrophobicContact CG2-CD1 3.85Å; I110-L112 HydrophobicContact CG2-CG 4.13Å
111	G	98	Very high	98.8	Very high	50 Å²	50	27.4 Å²	27.4	52%	0.515	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.2	20.6	-176.4	0	0	0	0	0	114.1	A107 Q108 D109	A107-G111 PolarHBondContact O-N 2.81Å; Q108-G111 WeakPolarHBondContact O-CA 3.21Å; Q108-G111 PolarHBondContact O-N 2.02Å; D109-G111 VanDerWaalsContact C-N 3.31Å
112	L	98.9	Very high	98.8	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.01	13%	0.13	C	C	.	.			trans	-95.5	132.9	175.4	-69.6	161.3	0	0	0	110.7	L65 Y69 L73 I76 A107 I110	L65-L112 HydrophobicContact CB-CD1 4.26Å; L65-L112 HydrophobicContact CD2-CD1 4.15Å; Y69-L112 HydrophobicContact CD2-CD2 4.18Å; Y69-L112 HydrophobicContact CD2-CG 4.27Å; L73-L112 HydrophobicContact CB-CD2 4.46Å; L73-L112 VanDerWaalsContact O-CD2 3.27Å; L73-L112 WeakPolarHBondContact O-CD2 3.23Å; I76-L112 HydrophobicContact CG2-CB 4.4Å; I76-L112 HydrophobicContact CG2-CD1 3.84Å; I76-L112 HydrophobicContact CG2-CD2 4.22Å; I76-L112 HydrophobicContact CG2-CG 4.38Å; A107-L112 CarbonylContact C-O 3.54Å; A107-L112 HydrophobicContact CB-CB 4.38Å; A107-L112 WeakPolarHBondContact O-CB 3.07Å; A107-L112 PolarHBondContact O-N 2.89Å; I110-L112 HydrophobicContact CB-CD1 4.48Å; I110-L112 HydrophobicContact CG2-CD1 3.85Å; I110-L112 HydrophobicContact CG2-CG 4.13Å
113	L	98.9	Very high	98.8	Very high	21 Å²	21	20.6 Å²	20.6	11%	0.11	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	167	166.4	-60.5	167.1	0	0	0	110.4	K39 F44 N74 A75 I76 Y170 P175 I177	K39-L113 HydrophobicContact CD-CD1 4.09Å; F44-L113 HydrophobicContact CE1-CD1 4.15Å; F44-L113 HydrophobicContact CE2-CD1 3.96Å; F44-L113 HydrophobicContact CZ-CD1 3.44Å; F44-L113 VanDerWaalsContact CZ-CD1 3.44Å; N74-L113 PolarHBondContact O-N 3.17Å; A75-L113 CarbonylContact C-O 3.57Å; A75-L113 WeakPolarHBondContact CA-O 3.45Å; A75-L113 HydrophobicContact CB-CB 3.98Å; I76-L113 PolarHBondContact N-O 3.07Å; L113-Y170 HydrophobicContact CD2-CD2 3.93Å; L113-Y170 HydrophobicContact CD2-CE2 3.91Å; L113-P175 CarbonylContact C-O 3.54Å; L113-P175 WeakPolarHBondContact CA-O 3.47Å; L113-I177 HydrophobicContact CB-CD1 4.05Å; L113-I177 HydrophobicContact CB-CG1 4.25Å; L113-I177 HydrophobicContact CB-CG2 4.25Å; L113-I177 HydrophobicContact CD1-CD1 4.19Å; L113-I177 HydrophobicContact CD1-CG2 4.11Å; L113-I177 HydrophobicContact CD2-CG2 3.88Å; L113-I177 HydrophobicContact CG-CG2 4.3Å
114	V	99	Very high	98.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	129.7	-177.7	176.7	0	0	0	0	111.3	I76 L104 A107 L116 P175 I176 I177	I76-V114 HydrophobicContact CD1-CG1 4.19Å; I76-V114 HydrophobicContact CD1-CG2 3.9Å; I76-V114 HydrophobicContact CG1-CG2 4.03Å; I76-V114 CarbonylContact O-C 3.52Å; I76-V114 WeakPolarHBondContact O-CA 3.5Å; L104-V114 HydrophobicContact CD2-CB 4.25Å; L104-V114 HydrophobicContact CD2-CG1 3.73Å; L104-V114 HydrophobicContact CD2-CG2 3.92Å; A107-V114 HydrophobicContact CB-CG2 4.03Å; V114-L116 HydrophobicContact CG1-CB 4.4Å; V114-L116 HydrophobicContact CG1-CD1 4.36Å; V114-P175 HydrophobicContact CB-CB 4.39Å; V114-P175 HydrophobicContact CB-CG 4.4Å; V114-P175 HydrophobicContact CG2-CB 3.91Å; V114-P175 HydrophobicContact CG2-CG 3.86Å; V114-P175 PolarHBondContact N-O 2.7Å; V114-I176 HydrophobicContact CB-CG1 4.09Å; V114-I176 HydrophobicContact CG1-CG1 4.11Å; V114-I176 CarbonylContact O-C 3.59Å; V114-I176 VanDerWaalsContact O-CA 3.31Å; V114-I176 WeakPolarHBondContact O-CA 3.4Å; V114-I177 WeakPolarHBondContact O-CG1 3.44Å; V114-I177 PolarHBondContact O-N 3.42Å
115	I	99	Very high	98.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	111.5	159.9	-62.6	105.2	0	0	0	107.5	Y46 A75 I76 Q77 T78 I177 T178 F214	Y46-I115 HydrophobicContact CD2-CD1 4.06Å; Y46-I115 HydrophobicContact CE2-CD1 4.2Å; Y46-I115 HydrophobicContact CG-CD1 4.23Å; A75-I115 HydrophobicContact CB-CD1 3.72Å; I76-I115 PolarHBondContact O-N 3.37Å; Q77-I115 WeakPolarHBondContact CA-O 3.28Å; Q77-I115 HydrophobicContact CB-CB 4.16Å; Q77-I115 HydrophobicContact CG-CB 4.05Å; Q77-I115 HydrophobicContact CG-CG2 3.92Å; Q77-I115 VanDerWaalsContact OE1-CG2 3.31Å; T78-I115 PolarHBondContact N-O 3.16Å; I115-I177 HydrophobicContact CD1-CD1 4.5Å; I115-I177 HydrophobicContact CG1-CD1 4.42Å; I115-I177 HydrophobicContact CG1-CG1 4.42Å; I115-T178 WeakPolarHBondContact CG1-OG1 3.44Å; I115-T178 WeakPolarHBondContact CG2-OG1 3.34Å; I115-F214 HydrophobicContact CG2-CE1 3.73Å; I115-F214 HydrophobicContact CG2-CZ 3.57Å
116	L	98.9	Very high	98.7	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.01	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	134	-175.2	-164.9	68.9	0	0	0	111.3	T78 I80 L104 V114 P118 M165 I176 T178 V179 Q180	T78-L116 HydrophobicContact CG2-CD1 3.92Å; I80-L116 HydrophobicContact CD1-CD1 3.97Å; I80-L116 HydrophobicContact CD1-CD2 4.12Å; I80-L116 HydrophobicContact CD1-CG 4.32Å; I80-L116 HydrophobicContact CG1-CD1 4.18Å; L104-L116 HydrophobicContact CD2-CD1 4.4Å; V114-L116 HydrophobicContact CG1-CB 4.4Å; V114-L116 HydrophobicContact CG1-CD1 4.36Å; L116-P118 WeakPolarHBondContact O-CD 3.37Å; L116-M165 HydrophobicContact CD2-CB 4.12Å; L116-M165 HydrophobicContact CD2-CG 3.76Å; L116-M165 HydrophobicContact CD2-SD 3.9Å; L116-I176 HydrophobicContact CB-CD1 4.48Å; L116-I176 HydrophobicContact CB-CG2 3.93Å; L116-I176 HydrophobicContact CD2-CD1 3.91Å; L116-T178 PolarHBondContact N-O 3.07Å; L116-V179 HydrophobicContact CB-CG2 4.35Å; L116-V179 CarbonylContact O-C 3.56Å; L116-V179 VanDerWaalsContact O-CA 3.3Å; L116-V179 WeakPolarHBondContact O-CA 3.45Å; L116-Q180 PolarHBondContact O-N 3.35Å
117	R	98.9	Very high	98.7	Very high	1 Å²	1	16.4 Å²	16.4	0%	0.004	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	79.6	177.4	-53.6	-157.2	-67.2	177.5	-4.3	111	Q77 T78 Y79 I80 G119 Q180 E264 Y302	Q77-R117 HydrophobicContact CG-CG 4.03Å; Q77-R117 VanDerWaalsContact NE2-NE 3.2Å; T78-R117 WeakPolarHBondContact O-CB 3.42Å; T78-R117 PolarHBondContact O-N 3.25Å; Y79-R117 VanDerWaalsContact CA-O 3.28Å; Y79-R117 WeakPolarHBondContact CA-O 3.43Å; Y79-R117 HydrophobicContact CD1-CB 3.33Å; Y79-R117 HydrophobicContact CD1-CG 4.39Å; Y79-R117 WeakPolarHBondContact CD1-O 3.41Å; Y79-R117 HydrophobicContact CE1-CB 3.65Å; Y79-R117 HydrophobicContact CE1-CG 4.42Å; Y79-R117 VanDerWaalsContact CE1-CZ 3.4Å; Y79-R117 VanDerWaalsContact CE1-NE 3.27Å; Y79-R117 HydrophobicContact CG-CB 4.28Å; Y79-R117 PolarHBondContact OH-NH1 3.24Å; Y79-R117 VanDerWaalsContact OH-NH1 3.09Å; Y79-R117 PolarHBondContact OH-NH2 3.27Å; I80-R117 PolarHBondContact N-O 3.37Å; I80-R117 VanDerWaalsContact N-O 3.08Å; R117-G119 VanDerWaalsContact C-N 3.28Å; R117-G119 PolarHBondContact O-N 3.47Å; R117-Q180 HydrophobicContact CB-CB 4.14Å; R117-Q180 HydrophobicContact CG-CB 3.79Å; R117-E264 IonicContact CZ-OE1 3.75Å; R117-E264 IonicContact NH1-OE1 3.24Å; R117-E264 PolarHBondContact NH1-OE1 3.12Å; R117-E264 IonicContact NH2-OE1 2.72Å; R117-E264 PolarHBondContact NH2-OE1 2.89Å; R117-Y302 VanDerWaalsContact NH2-CE2 3.34Å
118	P	98.8	Very high	98.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.097	C	C	.	.			trans	-78.4	-3.4	-171.4	31.8	-38.3	0	0	0	115.3	I80 L116 M158 L161 L162 V179 Q180 F203	I80-P118 HydrophobicContact CD1-CB 4.46Å; L116-P118 WeakPolarHBondContact O-CD 3.37Å; P118-M158 WeakPolarHBondContact O-CE 2.94Å; P118-L161 HydrophobicContact CB-CD2 3.58Å; P118-L162 HydrophobicContact CB-CD2 4.35Å; P118-L162 HydrophobicContact CG-CD2 4.21Å; P118-V179 HydrophobicContact CG-CG1 3.74Å; P118-Q180 WeakPolarHBondContact CD-O 3.46Å; P118-F203 HydrophobicContact CG-CE1 3.52Å; P118-F203 HydrophobicContact CG-CZ 3.79Å
119	G	98.6	Very high	98.7	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.01	8%	0.08	C	C	.	.			trans	86.6	-139.7	179.3	0	0	0	0	0	113.9	R117 Y121 E182	R117-G119 VanDerWaalsContact C-N 3.28Å; R117-G119 PolarHBondContact O-N 3.47Å; G119-Y121 WeakPolarHBondContact CA-O 3.22Å; G119-E182 PolarHBondContact O-N 2.8Å; G119-E182 VanDerWaalsContact O-N 3.15Å
120	P	98.7	Very high	98.7	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	5%	0.046	C	C	.	.	S	Bend	cis	-80	-21.5	24.6	29.8	-35.1	0	0	0	115	W82 L131 V154 M158 Y195 L199	W82-P120 HydrophobicContact CE3-CB 4Å; W82-P120 HydrophobicContact CZ3-CB 4.23Å; P120-L131 WeakPolarHBondContact O-CD2 3.28Å; P120-V154 HydrophobicContact CB-CG1 4.4Å; P120-V154 HydrophobicContact CB-CG2 4.08Å; P120-V154 HydrophobicContact CG-CG1 4.01Å; P120-V154 HydrophobicContact CG-CG2 3.84Å; P120-M158 HydrophobicContact CB-CE 3.7Å; P120-M158 HydrophobicContact CG-CE 4.21Å; P120-Y195 WeakPolarHBondContact CG-OH 3.36Å; P120-L199 HydrophobicContact CG-CD2 4.43Å
121	Y	98.9	Very high	98.8	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	4%	0.04	C	C	.	.			trans	-98.5	137.4	168.1	165.4	-89.7	0	0	0	109.5	G119 C123 L131 R144 N183 N480 I485	G119-Y121 WeakPolarHBondContact CA-O 3.22Å; Y121-C123 HydrophobicContact CE1-CB 3.83Å; Y121-C123 WeakPolarHBondContact OH-CB 3.37Å; Y121-L131 HydrophobicContact CD2-CD1 4.19Å; Y121-L131 HydrophobicContact CD2-CG 4.32Å; Y121-R144 VanDerWaalsContact CD1-NE 3.33Å; Y121-R144 HydrophobicContact CG-CG 4.25Å; Y121-N183 HydrophobicContact CD1-CB 4.09Å; Y121-N183 HydrophobicContact CE1-CB 4.33Å; Y121-N183 WeakPolarHBondContact O-CB 3.32Å; Y121-N480 VanDerWaalsContact CE2-O 3.26Å; Y121-N480 WeakPolarHBondContact CE2-O 3.5Å; Y121-N480 PolarHBondContact OH-O 3.3Å; Y121-I485 HydrophobicContact CE2-CD1 4.44Å
122	I	98.9	Very high	98.8	Very high	4 Å²	4	3 Å²	3	2%	0.021	2%	0.016	C	C	.	.			trans	-125.5	-4.7	-174.5	62.2	161	0	0	0	114.4	Y79 P81 G124 G129	Y79-I122 HydrophobicContact CD1-CB 3.46Å; Y79-I122 VanDerWaalsContact CD1-CB 3.46Å; Y79-I122 HydrophobicContact CD1-CG2 3.46Å; Y79-I122 VanDerWaalsContact CD1-CG2 3.46Å; Y79-I122 HydrophobicContact CD2-CB 4.3Å; Y79-I122 HydrophobicContact CD2-CD1 4.48Å; Y79-I122 HydrophobicContact CE1-CB 3.75Å; Y79-I122 HydrophobicContact CE1-CG2 4.04Å; Y79-I122 WeakPolarHBondContact CE2-O 3.43Å; Y79-I122 HydrophobicContact CG-CB 3.78Å; Y79-I122 HydrophobicContact CG-CD1 4.13Å; Y79-I122 HydrophobicContact CG-CG2 4.02Å; Y79-I122 PolarHBondContact OH-O 2.6Å; P81-I122 HydrophobicContact CB-CD1 3.73Å; P81-I122 HydrophobicContact CG-CD1 3.8Å; I122-G124 PolarHBondContact O-N 2.66Å; I122-G129 VanDerWaalsContact CG1-O 3.26Å; I122-G129 WeakPolarHBondContact CG1-O 3.09Å; I122-G129 PolarHBondContact N-O 3.24Å
123	C	98.6	Very high	98.8	Very high	8 Å²	8	3 Å²	3	5%	0.054	2%	0.017	C	C	.	.			trans	52.5	-104.7	-169.5	-172.5	0	0	0	0	111.4	Y121 E125 W126 G129	Y121-C123 HydrophobicContact CE1-CB 3.83Å; Y121-C123 WeakPolarHBondContact OH-CB 3.37Å; C123-E125 VanDerWaalsContact C-N 3.28Å; C123-E125 PolarHBondContact O-N 2.98Å; C123-W126 PolarHBondContact O-N 3.03Å; C123-G129 WeakPolarHBondContact O-CA 3.36Å
124	G	97.4	Very high	98.8	Very high	2 Å²	2	4 Å²	4	2%	0.021	2%	0.019	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	18.5	164.1	0	0	0	0	0	115	R55 I122 W126	R55-G124 VanDerWaalsContact CZ-O 3.25Å; R55-G124 PolarHBondContact NH1-O 3.15Å; R55-G124 PolarHBondContact NH2-O 2.78Å; I122-G124 PolarHBondContact O-N 2.66Å; G124-W126 PolarHBondContact O-N 3.46Å
125	E	98.8	Very high	98.8	Very high	16 Å²	16	4.2 Å²	4.2	8%	0.075	2%	0.02	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	25.9	-170.1	-71.4	66.1	-108.1	0	0	113.6	R55 C123 L270 G315 Q323 Y327 N480	R55-E125 PolarHBondContact NH2-O 3.16Å; C123-E125 VanDerWaalsContact C-N 3.28Å; C123-E125 PolarHBondContact O-N 2.98Å; E125-L270 VanDerWaalsContact CD-CD2 3.48Å; E125-L270 HydrophobicContact CG-CB 3.71Å; E125-L270 HydrophobicContact CG-CD2 3.66Å; E125-L270 HydrophobicContact CG-CG 4.16Å; E125-G315 PolarHBondContact O-N 2.93Å; E125-Q323 HydrophobicContact CB-CG 4.07Å; E125-Q323 HydrophobicContact CG-CG 3.83Å; E125-Y327 HydrophobicContact CB-CD2 4.4Å; E125-Y327 HydrophobicContact CB-CE2 3.6Å; E125-Y327 HydrophobicContact CG-CE2 3.97Å; E125-Y327 PolarHBondContact OE2-OH 2.9Å; E125-N480 VanDerWaalsContact CA-ND2 3.31Å; E125-N480 WeakPolarHBondContact CA-ND2 3.44Å
126	W	98.9	Very high	98.7	Very high	4 Å²	4	4.2 Å²	4.2	2%	0.015	2%	0.02	C	C	.	.	B	Isolated β-bridge	trans	-104.7	150.6	-174.8	-175	-88.3	0	0	0	110.3	R55 P81 N83 Y84 C123 G124 M128 G129 W313 N480	R55-W126 HydrophobicContact CG-CE3 4.47Å; R55-W126 HydrophobicContact CG-CZ3 4.01Å; P81-W126 HydrophobicContact CB-CD2 4.43Å; P81-W126 HydrophobicContact CB-CZ2 4.24Å; P81-W126 HydrophobicContact CG-CD2 4.46Å; P81-W126 HydrophobicContact CG-CZ2 4.31Å; N83-W126 PolarHBondContact OD1-NE1 2.85Å; Y84-W126 HydrophobicContact CD2-CH2 4.09Å; Y84-W126 AromaticContact CD2-CZ2 3.82Å; Y84-W126 HydrophobicContact CD2-CZ2 3.82Å; Y84-W126 HydrophobicContact CE2-CH2 4.46Å; Y84-W126 HydrophobicContact CG-CZ2 4.15Å; C123-W126 PolarHBondContact O-N 3.03Å; G124-W126 PolarHBondContact O-N 3.46Å; W126-M128 PolarHBondContact O-N 2.97Å; W126-M128 VanDerWaalsContact O-N 3.11Å; W126-G129 PolarHBondContact O-N 3.28Å; W126-W313 CarbonylContact C-O 3.58Å; W126-W313 WeakPolarHBondContact CA-O 3.39Å; W126-W313 HydrophobicContact CD2-CB 4.09Å; W126-W313 AromaticContact CE2-CD2 3.95Å; W126-W313 AromaticContact CE2-CE3 3.59Å; W126-W313 HydrophobicContact CE3-CB 3.87Å; W126-W313 HydrophobicContact CH2-CB 3.35Å; W126-W313 AromaticContact CH2-CD1 3.71Å; W126-W313 AromaticContact CH2-CD2 3.73Å; W126-W313 HydrophobicContact CH2-CD2 3.73Å; W126-W313 HydrophobicContact CH2-CE3 4.23Å; W126-W313 AromaticContact CH2-CG 3.3Å; W126-W313 HydrophobicContact CH2-CG 3.3Å; W126-W313 HydrophobicContact CZ2-CB 3.58Å; W126-W313 AromaticContact CZ2-CD2 3.26Å; W126-W313 HydrophobicContact CZ2-CD2 3.26Å; W126-W313 AromaticContact CZ2-CE3 3.32Å; W126-W313 HydrophobicContact CZ2-CE3 3.32Å; W126-W313 AromaticContact CZ2-CG 3.37Å; W126-W313 HydrophobicContact CZ2-CG 3.37Å; W126-W313 HydrophobicContact CZ2-CZ3 4.11Å; W126-W313 HydrophobicContact CZ3-CB 3.5Å; W126-W313 VanDerWaalsContact CZ3-CB 3.5Å; W126-W313 AromaticContact CZ3-CG 4Å; W126-W313 HydrophobicContact CZ3-CG 4Å; W126-W313 AromaticContact NE1-CE3 3.66Å; W126-N480 WeakPolarHBondContact O-CB 3.34Å
127	D	98.9	Very high	98.6	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.041	C	C	.	.	G	3₁₀ helix	trans	-46.8	122.9	-177.3	-173.2	-97.7	0	0	0	111.1	N83 G129 G130 W313 F409 R478	N83-D127 PolarHBondContact ND2-O 3Å; D127-G129 PolarHBondContact O-N 3.17Å; D127-G130 PolarHBondContact O-N 2.85Å; D127-W313 PolarHBondContact N-O 3.4Å; D127-F409 HydrophobicContact CB-CE1 4.07Å; D127-F409 WeakPolarHBondContact OD1-CE1 3.38Å; D127-R478 IonicContact OD1-NH1 3.74Å; D127-R478 PolarHBondContact OD1-NH1 2.87Å; D127-R478 WeakPolarHBondContact OD2-CB 3.39Å; D127-R478 PolarHBondContact OD2-N 2.79Å; D127-R478 IonicContact OD2-NH1 2.94Å
128	M	98.9	Very high	98.6	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.051	C	C	.	.	G	3₁₀ helix	trans	55.8	24.4	177.4	-149.8	177	160.8	0	0	114.9	W126 G130 L131 L136 L143 R478 I479 I485	W126-M128 PolarHBondContact O-N 2.97Å; W126-M128 VanDerWaalsContact O-N 3.11Å; M128-G130 PolarHBondContact O-N 2.99Å; M128-L131 WeakPolarHBondContact CB-O 3.48Å; M128-L131 HydrophobicContact CE-CB 4.3Å; M128-L131 HydrophobicContact CG-CB 4.21Å; M128-L131 WeakPolarHBondContact O-CB 3.46Å; M128-L131 PolarHBondContact O-N 2.78Å; M128-L131 VanDerWaalsContact O-N 3.17Å; M128-L131 HydrophobicContact SD-CB 4.37Å; M128-L136 HydrophobicContact CE-CD1 3.87Å; M128-L136 HydrophobicContact CE-CD2 3.55Å; M128-L136 HydrophobicContact CE-CG 3.65Å; M128-L136 HydrophobicContact SD-CD1 4.11Å; M128-L136 HydrophobicContact SD-CG 4.34Å; M128-L143 HydrophobicContact CE-CD1 3.36Å; M128-L143 HydrophobicContact CE-CD2 4.33Å; M128-L143 HydrophobicContact CE-CG 4.49Å; M128-R478 HydrophobicContact CB-CB 3.75Å; M128-R478 HydrophobicContact CB-CG 4.4Å; M128-R478 HydrophobicContact CG-CB 4.11Å; M128-R478 PolarHBondContact N-O 2.69Å; M128-R478 WeakPolarHBondContact SD-CD 3.25Å; M128-I479 WeakPolarHBondContact CA-O 3.45Å; M128-I485 WeakPolarHBondContact CE-O 3.45Å; M128-I485 WeakPolarHBondContact CG-O 3.37Å
129	G	98.8	Very high	98.4	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	64	28.8	-176.3	0	0	0	0	0	112.9	I122 C123 W126 D127 L131	I122-G129 VanDerWaalsContact CG1-O 3.26Å; I122-G129 WeakPolarHBondContact CG1-O 3.09Å; I122-G129 PolarHBondContact N-O 3.24Å; C123-G129 WeakPolarHBondContact O-CA 3.36Å; W126-G129 PolarHBondContact O-N 3.28Å; D127-G129 PolarHBondContact O-N 3.17Å; G129-L131 VanDerWaalsContact C-N 3.29Å; G129-L131 PolarHBondContact O-N 3.18Å
130	G	98.9	Very high	98.3	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	82.7	-4.4	-176.5	0	0	0	0	0	114.8	W82 N83 D127 M128	W82-G130 CarbonylContact C-O 3.5Å; W82-G130 WeakPolarHBondContact CB-O 3.44Å; W82-G130 PolarHBondContact N-O 2.65Å; N83-G130 WeakPolarHBondContact CB-O 3.37Å; N83-G130 VanDerWaalsContact CG-O 3.32Å; N83-G130 PolarHBondContact N-O 3.37Å; N83-G130 PolarHBondContact OD1-O 2.85Å; D127-G130 PolarHBondContact O-N 2.85Å; M128-G130 PolarHBondContact O-N 2.99Å
131	L	98.9	Very high	98.3	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.103	C	C	.	.			trans	-74.7	138.6	177.6	-62	177.5	0	0	0	111	W82 N83 P120 Y121 M128 G129 L135 L143 R144 Y150 I485	W82-L131 HydrophobicContact CE3-CD2 3.92Å; W82-L131 HydrophobicContact CZ3-CD2 4.13Å; N83-L131 PolarHBondContact ND2-O 3.42Å; P120-L131 WeakPolarHBondContact O-CD2 3.28Å; Y121-L131 HydrophobicContact CD2-CD1 4.19Å; Y121-L131 HydrophobicContact CD2-CG 4.32Å; M128-L131 WeakPolarHBondContact CB-O 3.48Å; M128-L131 HydrophobicContact CE-CB 4.3Å; M128-L131 HydrophobicContact CG-CB 4.21Å; M128-L131 WeakPolarHBondContact O-CB 3.46Å; M128-L131 PolarHBondContact O-N 2.78Å; M128-L131 VanDerWaalsContact O-N 3.17Å; M128-L131 HydrophobicContact SD-CB 4.37Å; G129-L131 VanDerWaalsContact C-N 3.29Å; G129-L131 PolarHBondContact O-N 3.18Å; L131-L135 HydrophobicContact CB-CD1 4.12Å; L131-L135 HydrophobicContact CD2-CD1 4.48Å; L131-L143 HydrophobicContact CD1-CB 4.24Å; L131-L143 HydrophobicContact CD1-CD1 4.21Å; L131-L143 HydrophobicContact CD1-CD2 4.32Å; L131-L143 HydrophobicContact CD1-CG 4.49Å; L131-R144 HydrophobicContact CD1-CG 4.37Å; L131-Y150 HydrophobicContact CD1-CE2 4.43Å; L131-Y150 HydrophobicContact CD2-CE2 4.15Å; L131-I485 HydrophobicContact CD1-CD1 4.22Å
132	P	98.8	Very high	98.3	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.013	12%	0.121	C	C	.	.			trans	-69.7	135.8	177.1	-19.6	30.1	0	0	0	113.1	W82 N83 W134 L135	W82-P132 HydrophobicContact CB-CG 4.46Å; W82-P132 HydrophobicContact CD2-CG 3.5Å; W82-P132 VanDerWaalsContact CD2-CG 3.5Å; W82-P132 VanDerWaalsContact CE2-CG 3.47Å; W82-P132 VanDerWaalsContact CE3-CD 3.42Å; W82-P132 HydrophobicContact CE3-CG 4.14Å; W82-P132 HydrophobicContact CG-CG 3.63Å; W82-P132 HydrophobicContact CZ2-CG 4.11Å; N83-P132 HydrophobicContact CB-CB 4.27Å; N83-P132 HydrophobicContact CB-CG 4.24Å; P132-W134 HydrophobicContact CB-CD2 3.92Å; P132-W134 HydrophobicContact CB-CG 4.01Å; P132-W134 HydrophobicContact CB-CZ2 3.9Å; P132-W134 HydrophobicContact CG-CZ2 3.83Å; P132-W134 PolarHBondContact O-N 2.8Å; P132-W134 VanDerWaalsContact O-N 3.17Å; P132-L135 VanDerWaalsContact O-CB 3.3Å; P132-L135 WeakPolarHBondContact O-CB 3.24Å; P132-L135 WeakPolarHBondContact O-CG 3.45Å; P132-L135 PolarHBondContact O-N 2.91Å; P132-L135 VanDerWaalsContact O-N 3.09Å
133	A	98.7	Very high	98.3	Very high	3 Å²	3	23.8 Å²	23.8	3%	0.025	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-59.2	-29.4	179.9	0	0	0	0	0	113.8	L135 L136 T403	A133-L135 PolarHBondContact O-N 2.64Å; A133-L135 VanDerWaalsContact O-N 3.16Å; A133-L136 VanDerWaalsContact O-CB 3.24Å; A133-L136 WeakPolarHBondContact O-CB 3.29Å; A133-L136 WeakPolarHBondContact O-CG 3.29Å; A133-L136 PolarHBondContact O-N 3.43Å; A133-T403 HydrophobicContact CB-CG2 4.34Å; A133-T403 WeakPolarHBondContact O-CG2 3.45Å
134	W	98.6	Very high	98.3	Very high	40 Å²	40	23.5 Å²	23.5	15%	0.152	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-64.1	-16.8	179.1	56.3	-109.7	0	0	0	113.3	W82 E86 P89 P132 L136 N137 A153	W82-W134 HydrophobicContact CH2-CH2 4.26Å; W82-W134 AromaticContact CZ2-CH2 3.63Å; W82-W134 HydrophobicContact CZ2-CH2 3.63Å; W82-W134 AromaticContact CZ2-CZ2 3.76Å; W82-W134 HydrophobicContact CZ2-CZ2 3.76Å; E86-W134 HydrophobicContact CG-CZ2 4.34Å; E86-W134 PolarHBondContact O-NE1 2.88Å; P89-W134 HydrophobicContact CB-CD2 4.47Å; P89-W134 HydrophobicContact CB-CZ2 4.5Å; P89-W134 HydrophobicContact CG-CB 4.27Å; P89-W134 HydrophobicContact CG-CD2 3.55Å; P89-W134 HydrophobicContact CG-CE3 3.82Å; P89-W134 HydrophobicContact CG-CG 3.75Å; P89-W134 HydrophobicContact CG-CZ2 4.39Å; P89-W134 HydrophobicContact CG-CZ3 4.35Å; P132-W134 HydrophobicContact CB-CD2 3.92Å; P132-W134 HydrophobicContact CB-CG 4.01Å; P132-W134 HydrophobicContact CB-CZ2 3.9Å; P132-W134 HydrophobicContact CG-CZ2 3.83Å; P132-W134 PolarHBondContact O-N 2.8Å; P132-W134 VanDerWaalsContact O-N 3.17Å; W134-L136 PolarHBondContact O-N 2.88Å; W134-N137 VanDerWaalsContact O-CB 3.28Å; W134-N137 WeakPolarHBondContact O-CB 3.33Å; W134-N137 VanDerWaalsContact O-CG 3.3Å; W134-N137 PolarHBondContact O-N 2.9Å; W134-A153 HydrophobicContact CH2-CB 3.92Å; W134-A153 HydrophobicContact CZ3-CB 3.98Å
135	L	98.8	Very high	98.4	Very high	6 Å²	6	23.8 Å²	23.8	3%	0.031	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-58.2	-30.4	169.5	-70.8	171.7	0	0	0	111.7	W82 L131 P132 A133 N137 K138 I141 L143 Y150 A153	W82-L135 HydrophobicContact CH2-CD1 4.12Å; W82-L135 HydrophobicContact CH2-CD2 4.11Å; W82-L135 HydrophobicContact CZ3-CD1 3.94Å; L131-L135 HydrophobicContact CB-CD1 4.12Å; L131-L135 HydrophobicContact CD2-CD1 4.48Å; P132-L135 VanDerWaalsContact O-CB 3.3Å; P132-L135 WeakPolarHBondContact O-CB 3.24Å; P132-L135 WeakPolarHBondContact O-CG 3.45Å; P132-L135 PolarHBondContact O-N 2.91Å; P132-L135 VanDerWaalsContact O-N 3.09Å; A133-L135 PolarHBondContact O-N 2.64Å; A133-L135 VanDerWaalsContact O-N 3.16Å; L135-N137 PolarHBondContact O-N 2.96Å; L135-K138 PolarHBondContact O-N 3.23Å; L135-I141 HydrophobicContact CB-CD1 4.16Å; L135-I141 HydrophobicContact CD2-CD1 4.35Å; L135-I141 WeakPolarHBondContact O-CD1 3.4Å; L135-L143 HydrophobicContact CB-CD2 4.14Å; L135-L143 HydrophobicContact CD1-CD2 4.09Å; L135-Y150 HydrophobicContact CD1-CD2 4.25Å; L135-Y150 HydrophobicContact CD1-CE2 4.08Å; L135-Y150 HydrophobicContact CD2-CD2 4.47Å; L135-A153 HydrophobicContact CD2-CB 3.52Å
136	L	98.6	Very high	98.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-74	-4.7	179.1	-56	-178.8	0	0	0	113.3	M128 A133 W134 K138 I141 L143 T403 N486 F488	M128-L136 HydrophobicContact CE-CD1 3.87Å; M128-L136 HydrophobicContact CE-CD2 3.55Å; M128-L136 HydrophobicContact CE-CG 3.65Å; M128-L136 HydrophobicContact SD-CD1 4.11Å; M128-L136 HydrophobicContact SD-CG 4.34Å; A133-L136 VanDerWaalsContact O-CB 3.24Å; A133-L136 WeakPolarHBondContact O-CB 3.29Å; A133-L136 WeakPolarHBondContact O-CG 3.29Å; A133-L136 PolarHBondContact O-N 3.43Å; W134-L136 PolarHBondContact O-N 2.88Å; L136-K138 CarbonylContact O-C 3.45Å; L136-K138 PolarHBondContact O-N 2.75Å; L136-I141 HydrophobicContact CD2-CG2 4.18Å; L136-L143 HydrophobicContact CD2-CD1 4.23Å; L136-T403 HydrophobicContact CB-CG2 4.3Å; L136-N486 HydrophobicContact CD2-CB 4.1Å; L136-F488 HydrophobicContact CB-CD1 4.19Å; L136-F488 HydrophobicContact CB-CE1 3.57Å; L136-F488 HydrophobicContact CB-CE2 4.45Å; L136-F488 HydrophobicContact CB-CZ 3.7Å; L136-F488 HydrophobicContact CD2-CE2 4.45Å; L136-F488 HydrophobicContact CD2-CZ 4.38Å; L136-F488 HydrophobicContact CG-CZ 4.5Å; L136-F488 WeakPolarHBondContact O-CE1 3.41Å; L136-F488 WeakPolarHBondContact O-CZ 3.37Å
137	N	97.1	Very high	98.4	Very high	82 Å²	82	26.2 Å²	26.2	44%	0.439	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-59.1	-30.3	171.1	-71.5	-7.1	0	0	0	111.1	W134 L135 K139 T403	W134-N137 VanDerWaalsContact O-CB 3.28Å; W134-N137 WeakPolarHBondContact O-CB 3.33Å; W134-N137 VanDerWaalsContact O-CG 3.3Å; W134-N137 PolarHBondContact O-N 2.9Å; L135-N137 PolarHBondContact O-N 2.96Å; N137-K139 PolarHBondContact O-N 2.79Å; N137-T403 WeakPolarHBondContact OD1-CB 3.37Å; N137-T403 PolarHBondContact OD1-O 2.74Å
138	K	97.3	Very high	98.4	Very high	50 Å²	50	30.9 Å²	30.9	22%	0.217	17%	0.168	C	C	.	.	S	Bend	trans	-81.2	103.2	163.1	179.1	-178.7	174.7	-178.9	0	109.6	L135 L136 N140 I141 D147 D149	L135-K138 PolarHBondContact O-N 3.23Å; L136-K138 CarbonylContact O-C 3.45Å; L136-K138 PolarHBondContact O-N 2.75Å; K138-N140 VanDerWaalsContact C-N 3.26Å; K138-N140 VanDerWaalsContact CE-OD1 3.29Å; K138-N140 WeakPolarHBondContact CE-OD1 3.31Å; K138-N140 WeakPolarHBondContact CG-OD1 3.27Å; K138-N140 PolarHBondContact O-N 2.95Å; K138-I141 HydrophobicContact CB-CB 4.04Å; K138-I141 HydrophobicContact CD-CB 3.93Å; K138-I141 HydrophobicContact CD-CG1 4.18Å; K138-I141 HydrophobicContact CG-CB 3.96Å; K138-I141 WeakPolarHBondContact O-CB 3.46Å; K138-I141 VanDerWaalsContact O-CG2 3.25Å; K138-I141 WeakPolarHBondContact O-CG2 3.38Å; K138-I141 PolarHBondContact O-N 2.86Å; K138-I141 VanDerWaalsContact O-N 3.09Å; K138-D147 IonicContact NZ-OD1 3.12Å; K138-D147 PolarHBondContact NZ-OD1 2.88Å; K138-D147 IonicContact NZ-OD2 3.23Å; K138-D147 PolarHBondContact NZ-OD2 2.89Å; K138-D149 HydrophobicContact CD-CB 3.64Å; K138-D149 VanDerWaalsContact CD-OD2 3.29Å; K138-D149 WeakPolarHBondContact CD-OD2 3.39Å; K138-D149 VanDerWaalsContact CE-OD2 3.3Å; K138-D149 WeakPolarHBondContact CE-OD2 3.01Å; K138-D149 IonicContact NZ-OD2 3.98Å; K138-D149 PolarHBondContact NZ-OD2 2.8Å
139	K	95.5	Very high	98.3	Very high	92 Å²	92	35.4 Å²	35.4	40%	0.4	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-29.8	-172.5	-59.5	-54.8	-174.7	-176.2	0	115.3	N137 T401 D404 F488	N137-K139 PolarHBondContact O-N 2.79Å; K139-T401 PolarHBondContact NZ-OG1 3.35Å; K139-T401 VanDerWaalsContact NZ-OG1 3.15Å; K139-D404 WeakPolarHBondContact CE-OD1 3.31Å; K139-D404 IonicContact NZ-OD1 3.12Å; K139-D404 PolarHBondContact NZ-OD1 3.29Å; K139-D404 IonicContact NZ-OD2 2.66Å; K139-D404 PolarHBondContact NZ-OD2 2.86Å; K139-F488 HydrophobicContact CD-CE1 3.53Å; K139-F488 HydrophobicContact CD-CZ 3.65Å
140	N	96.9	Very high	98.3	Very high	123 Å²	123	35.4 Å²	35.4	66%	0.658	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.9	20.4	-180	67.6	-26	0	0	0	112.9	K138 V142	K138-N140 VanDerWaalsContact C-N 3.26Å; K138-N140 VanDerWaalsContact CE-OD1 3.29Å; K138-N140 WeakPolarHBondContact CE-OD1 3.31Å; K138-N140 WeakPolarHBondContact CG-OD1 3.27Å; K138-N140 PolarHBondContact O-N 2.95Å; N140-V142 PolarHBondContact O-N 2.89Å
141	I	98.4	Very high	98.3	Very high	9 Å²	9	36.4 Å²	36.4	5%	0.046	20%	0.197	C	C	.	.			trans	-60.8	134.9	177.4	-164.2	167.5	0	0	0	110.5	L135 L136 K138 L143 Y150	L135-I141 HydrophobicContact CB-CD1 4.16Å; L135-I141 HydrophobicContact CD2-CD1 4.35Å; L135-I141 WeakPolarHBondContact O-CD1 3.4Å; L136-I141 HydrophobicContact CD2-CG2 4.18Å; K138-I141 HydrophobicContact CB-CB 4.04Å; K138-I141 HydrophobicContact CD-CB 3.93Å; K138-I141 HydrophobicContact CD-CG1 4.18Å; K138-I141 HydrophobicContact CG-CB 3.96Å; K138-I141 WeakPolarHBondContact O-CB 3.46Å; K138-I141 VanDerWaalsContact O-CG2 3.25Å; K138-I141 WeakPolarHBondContact O-CG2 3.38Å; K138-I141 PolarHBondContact O-N 2.86Å; K138-I141 VanDerWaalsContact O-N 3.09Å; I141-L143 HydrophobicContact CD1-CD2 4.11Å; I141-L143 HydrophobicContact CG1-CD2 4.33Å; I141-L143 HydrophobicContact CG2-CD2 4.1Å; I141-L143 HydrophobicContact CG2-CG 4.3Å; I141-Y150 HydrophobicContact CD1-CD2 4.39Å
142	V	98.6	Very high	98.3	Very high	61 Å²	61	38.6 Å²	38.6	37%	0.37	22%	0.215	S	C	.	.			trans	-100.7	98.8	168.9	-173	0	0	0	0	108	N140 S145 D147 T190	N140-V142 PolarHBondContact O-N 2.89Å; V142-S145 WeakPolarHBondContact CB-OG 3.19Å; V142-S145 WeakPolarHBondContact CG1-OG 3.24Å; V142-S145 PolarHBondContact O-OG 3.27Å; V142-D147 HydrophobicContact CB-CB 4.34Å; V142-D147 PolarHBondContact N-OD2 2.86Å; V142-D147 VanDerWaalsContact N-OD2 3.13Å; V142-D147 WeakPolarHBondContact O-CB 3.48Å; V142-T190 HydrophobicContact CG1-CG2 3.91Å
143	L	98.8	Very high	98.3	Very high	2 Å²	2	39 Å²	39	1%	0.01	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	153.3	178.1	-59.7	170.6	0	0	0	110.7	M128 L131 L135 L136 I141 S145 Y150 Y188 I485 N486	M128-L143 HydrophobicContact CE-CD1 3.36Å; M128-L143 HydrophobicContact CE-CD2 4.33Å; M128-L143 HydrophobicContact CE-CG 4.49Å; L131-L143 HydrophobicContact CD1-CB 4.24Å; L131-L143 HydrophobicContact CD1-CD1 4.21Å; L131-L143 HydrophobicContact CD1-CD2 4.32Å; L131-L143 HydrophobicContact CD1-CG 4.49Å; L135-L143 HydrophobicContact CB-CD2 4.14Å; L135-L143 HydrophobicContact CD1-CD2 4.09Å; L136-L143 HydrophobicContact CD2-CD1 4.23Å; I141-L143 HydrophobicContact CD1-CD2 4.11Å; I141-L143 HydrophobicContact CG1-CD2 4.33Å; I141-L143 HydrophobicContact CG2-CD2 4.1Å; I141-L143 HydrophobicContact CG2-CG 4.3Å; L143-S145 VanDerWaalsContact C-N 3.26Å; L143-S145 PolarHBondContact O-N 3.2Å; L143-Y150 HydrophobicContact CD2-CD2 3.84Å; L143-Y150 HydrophobicContact CD2-CE2 3.99Å; L143-Y188 WeakPolarHBondContact O-CE1 3.16Å; L143-Y188 PolarHBondContact O-OH 2.83Å; L143-I485 HydrophobicContact CB-CD1 4.01Å; L143-I485 HydrophobicContact CD1-CD1 4.13Å; L143-I485 HydrophobicContact CD1-CG1 4.02Å; L143-N486 HydrophobicContact CD1-CB 4.04Å
144	R	98.8	Very high	98.3	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.008	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	43.2	178.4	-50.8	172.2	67.1	-169.1	0.3	112.6	Y121 L131 Y150 E182 N183 E184 Y185 Y188 T190 Y195 I485	Y121-R144 VanDerWaalsContact CD1-NE 3.33Å; Y121-R144 HydrophobicContact CG-CG 4.25Å; L131-R144 HydrophobicContact CD1-CG 4.37Å; R144-Y150 VanDerWaalsContact CA-CE1 3.48Å; R144-Y150 VanDerWaalsContact N-CE1 3.26Å; R144-Y150 VanDerWaalsContact N-CZ 3.34Å; R144-E182 IonicContact CZ-OE1 3.1Å; R144-E182 IonicContact CZ-OE2 3.27Å; R144-E182 IonicContact NE-OE1 2.62Å; R144-E182 PolarHBondContact NE-OE1 3.31Å; R144-E182 IonicContact NE-OE2 2.77Å; R144-E182 IonicContact NH2-OE1 2.75Å; R144-E182 PolarHBondContact NH2-OE1 3.18Å; R144-E182 IonicContact NH2-OE2 2.79Å; R144-E182 PolarHBondContact NH2-OE2 3.13Å; R144-N183 PolarHBondContact NH2-O 3.44Å; R144-E184 PolarHBondContact NH2-O 3.09Å; R144-Y185 HydrophobicContact CB-CE2 4.03Å; R144-Y185 WeakPolarHBondContact O-CE2 3.32Å; R144-Y185 PolarHBondContact O-OH 2.98Å; R144-Y188 HydrophobicContact CB-CD1 3.86Å; R144-Y188 HydrophobicContact CB-CE1 3.62Å; R144-Y188 HydrophobicContact CG-CE1 4.38Å; R144-T190 PolarHBondContact O-OG1 2.91Å; R144-Y195 HydrophobicContact CB-CE1 4.14Å; R144-I485 HydrophobicContact CG-CD1 4.1Å
145	S	98.9	Very high	98.4	Very high	8 Å²	8	39.6 Å²	39.6	6%	0.056	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-143.8	-179.9	180	80.2	0	0	0	0	111.2	V142 L143 D147 Y150	V142-S145 WeakPolarHBondContact CB-OG 3.19Å; V142-S145 WeakPolarHBondContact CG1-OG 3.24Å; V142-S145 PolarHBondContact O-OG 3.27Å; L143-S145 VanDerWaalsContact C-N 3.26Å; L143-S145 PolarHBondContact O-N 3.2Å; S145-D147 PolarHBondContact O-N 3.31Å; S145-D147 WeakPolarHBondContact OG-CB 3.11Å; S145-D147 PolarHBondContact OG-N 2.75Å; S145-D147 VanDerWaalsContact OG-N 3.13Å; S145-Y150 WeakPolarHBondContact O-CD1 3.37Å
146	S	98.8	Very high	98.4	Very high	52 Å²	52	46.4 Å²	46.4	36%	0.364	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	17.1	173	59	0	0	0	0	114.1	P148 D192	S146-P148 WeakPolarHBondContact O-CD 3.09Å; S146-D192 WeakPolarHBondContact CB-OD2 3.48Å; S146-D192 PolarHBondContact N-OD2 3.09Å; S146-D192 PolarHBondContact OG-OD2 3.09Å
147	D	98.8	Very high	98.4	Very high	19 Å²	19	46.4 Å²	46.4	10%	0.102	25%	0.253	C	S	.	.			trans	-49.6	121.6	168	-179.1	-51.8	0	0	0	109.9	K138 V142 S145 D149 Y150 I151	K138-D147 IonicContact NZ-OD1 3.12Å; K138-D147 PolarHBondContact NZ-OD1 2.88Å; K138-D147 IonicContact NZ-OD2 3.23Å; K138-D147 PolarHBondContact NZ-OD2 2.89Å; V142-D147 HydrophobicContact CB-CB 4.34Å; V142-D147 PolarHBondContact N-OD2 2.86Å; V142-D147 VanDerWaalsContact N-OD2 3.13Å; V142-D147 WeakPolarHBondContact O-CB 3.48Å; S145-D147 PolarHBondContact O-N 3.31Å; S145-D147 WeakPolarHBondContact OG-CB 3.11Å; S145-D147 PolarHBondContact OG-N 2.75Å; S145-D147 VanDerWaalsContact OG-N 3.13Å; D147-D149 VanDerWaalsContact C-N 3.26Å; D147-D149 PolarHBondContact O-N 2.92Å; D147-D149 PolarHBondContact OD1-N 3.39Å; D147-Y150 PolarHBondContact O-N 2.68Å; D147-Y150 VanDerWaalsContact O-N 3.11Å; D147-Y150 PolarHBondContact OD1-N 2.86Å; D147-I151 WeakPolarHBondContact O-CG1 3.36Å; D147-I151 PolarHBondContact O-N 2.99Å
148	P	98.6	Very high	98.4	Very high	98 Å²	98	42.5 Å²	42.5	64%	0.636	23%	0.233	S	C	*	.	H	α-helix	trans	-57.9	-34.5	-172.8	-28.1	35.2	0	0	0	114.6	S146 A152	S146-P148 WeakPolarHBondContact O-CD 3.09Å; P148-A152 VanDerWaalsContact O-CB 3.25Å; P148-A152 WeakPolarHBondContact O-CB 3.35Å; P148-A152 PolarHBondContact O-N 2.93Å
149	D	98.6	Very high	98.5	Very high	94 Å²	94	41.6 Å²	41.6	50%	0.503	24%	0.237	S	C	.	.	H	α-helix	trans	-77.3	-35.4	-179.4	-65.2	-73.3	0	0	0	111.1	K138 D147 A153	K138-D149 HydrophobicContact CD-CB 3.64Å; K138-D149 VanDerWaalsContact CD-OD2 3.29Å; K138-D149 WeakPolarHBondContact CD-OD2 3.39Å; K138-D149 VanDerWaalsContact CE-OD2 3.3Å; K138-D149 WeakPolarHBondContact CE-OD2 3.01Å; K138-D149 IonicContact NZ-OD2 3.98Å; K138-D149 PolarHBondContact NZ-OD2 2.8Å; D147-D149 VanDerWaalsContact C-N 3.26Å; D147-D149 PolarHBondContact O-N 2.92Å; D147-D149 PolarHBondContact OD1-N 3.39Å; D149-A153 WeakPolarHBondContact O-CB 3.39Å; D149-A153 PolarHBondContact O-N 3.42Å; D149-A153 VanDerWaalsContact O-N 3.13Å
150	Y	98.9	Very high	98.6	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.8	-48.7	171.8	-177.9	-106.8	0	0	0	110.9	L131 L135 I141 L143 R144 S145 D147 A152 A153 V154 Y195	L131-Y150 HydrophobicContact CD1-CE2 4.43Å; L131-Y150 HydrophobicContact CD2-CE2 4.15Å; L135-Y150 HydrophobicContact CD1-CD2 4.25Å; L135-Y150 HydrophobicContact CD1-CE2 4.08Å; L135-Y150 HydrophobicContact CD2-CD2 4.47Å; I141-Y150 HydrophobicContact CD1-CD2 4.39Å; L143-Y150 HydrophobicContact CD2-CD2 3.84Å; L143-Y150 HydrophobicContact CD2-CE2 3.99Å; R144-Y150 VanDerWaalsContact CA-CE1 3.48Å; R144-Y150 VanDerWaalsContact N-CE1 3.26Å; R144-Y150 VanDerWaalsContact N-CZ 3.34Å; S145-Y150 WeakPolarHBondContact O-CD1 3.37Å; D147-Y150 PolarHBondContact O-N 2.68Å; D147-Y150 VanDerWaalsContact O-N 3.11Å; D147-Y150 PolarHBondContact OD1-N 2.86Å; Y150-A152 VanDerWaalsContact C-N 3.35Å; Y150-A152 PolarHBondContact O-N 2.75Å; Y150-A153 PolarHBondContact O-N 3.23Å; Y150-V154 HydrophobicContact CD1-CG2 4.09Å; Y150-V154 HydrophobicContact CD2-CG2 4.45Å; Y150-V154 HydrophobicContact CE1-CG2 3.68Å; Y150-V154 HydrophobicContact CE2-CG2 4.07Å; Y150-V154 HydrophobicContact CG-CG2 4.46Å; Y150-V154 WeakPolarHBondContact O-CG2 3.46Å; Y150-V154 PolarHBondContact O-N 3.18Å; Y150-Y195 HydrophobicContact CD1-CE2 4.4Å; Y150-Y195 HydrophobicContact CE1-CD2 4.38Å; Y150-Y195 AromaticContact CE1-CE2 3.66Å; Y150-Y195 HydrophobicContact CE1-CE2 3.66Å
151	I	98.8	Very high	98.7	Very high	22 Å²	22	35.5 Å²	35.5	11%	0.113	21%	0.205	C	C	.	.	H	α-helix	trans	-58.9	-45.6	177	-68.6	-64.1	0	0	0	111.1	D147 A153 V154 D155 Y195 H198	D147-I151 WeakPolarHBondContact O-CG1 3.36Å; D147-I151 PolarHBondContact O-N 2.99Å; I151-A153 VanDerWaalsContact C-N 3.26Å; I151-A153 PolarHBondContact O-N 3Å; I151-V154 PolarHBondContact O-N 3.1Å; I151-D155 WeakPolarHBondContact O-CB 3.39Å; I151-D155 PolarHBondContact O-N 2.87Å; I151-Y195 HydrophobicContact CD1-CD2 3.78Å; I151-Y195 HydrophobicContact CD1-CE2 4.45Å; I151-H198 HydrophobicContact CD1-CB 4.5Å; I151-H198 WeakPolarHBondContact CG2-NE2 3.4Å
152	A	98.8	Very high	98.7	Very high	45 Å²	45	35.1 Å²	35.1	37%	0.372	20%	0.203	S	C	.	.	H	α-helix	trans	-61.4	-35.3	178.6	0	0	0	0	0	112.6	P148 Y150 K156	P148-A152 VanDerWaalsContact O-CB 3.25Å; P148-A152 WeakPolarHBondContact O-CB 3.35Å; P148-A152 PolarHBondContact O-N 2.93Å; Y150-A152 VanDerWaalsContact C-N 3.35Å; Y150-A152 PolarHBondContact O-N 2.75Å; A152-K156 WeakPolarHBondContact O-CG 3.27Å; A152-K156 PolarHBondContact O-N 3.38Å
153	A	98.9	Very high	98.8	Very high	10 Å²	10	34.6 Å²	34.6	8%	0.083	20%	0.201	C	C	.	.	H	α-helix	trans	-71.1	-44	174.5	0	0	0	0	0	111.8	W82 W134 L135 D149 Y150 I151 D155 K156 W157	W82-A153 HydrophobicContact CH2-CB 3.77Å; W82-A153 HydrophobicContact CZ2-CB 4.21Å; W134-A153 HydrophobicContact CH2-CB 3.92Å; W134-A153 HydrophobicContact CZ3-CB 3.98Å; L135-A153 HydrophobicContact CD2-CB 3.52Å; D149-A153 WeakPolarHBondContact O-CB 3.39Å; D149-A153 PolarHBondContact O-N 3.42Å; D149-A153 VanDerWaalsContact O-N 3.13Å; Y150-A153 PolarHBondContact O-N 3.23Å; I151-A153 VanDerWaalsContact C-N 3.26Å; I151-A153 PolarHBondContact O-N 3Å; A153-D155 VanDerWaalsContact C-N 3.34Å; A153-D155 PolarHBondContact O-N 2.79Å; A153-K156 PolarHBondContact O-N 3Å; A153-W157 PolarHBondContact O-N 3.01Å
154	V	98.9	Very high	98.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.4	-42.6	175.7	168.9	0	0	0	0	111.4	W82 P120 Y150 I151 K156 W157 M158 L199 L202	W82-V154 HydrophobicContact CH2-CG2 4.22Å; W82-V154 HydrophobicContact CZ3-CG2 3.94Å; P120-V154 HydrophobicContact CB-CG1 4.4Å; P120-V154 HydrophobicContact CB-CG2 4.08Å; P120-V154 HydrophobicContact CG-CG1 4.01Å; P120-V154 HydrophobicContact CG-CG2 3.84Å; Y150-V154 HydrophobicContact CD1-CG2 4.09Å; Y150-V154 HydrophobicContact CD2-CG2 4.45Å; Y150-V154 HydrophobicContact CE1-CG2 3.68Å; Y150-V154 HydrophobicContact CE2-CG2 4.07Å; Y150-V154 HydrophobicContact CG-CG2 4.46Å; Y150-V154 WeakPolarHBondContact O-CG2 3.46Å; Y150-V154 PolarHBondContact O-N 3.18Å; I151-V154 PolarHBondContact O-N 3.1Å; V154-K156 VanDerWaalsContact C-N 3.33Å; V154-K156 PolarHBondContact O-N 3.23Å; V154-W157 PolarHBondContact O-N 2.94Å; V154-M158 HydrophobicContact CG1-CG 4.04Å; V154-M158 VanDerWaalsContact O-CB 3.31Å; V154-M158 WeakPolarHBondContact O-CB 3.35Å; V154-M158 WeakPolarHBondContact O-CG 3.24Å; V154-M158 PolarHBondContact O-N 2.9Å; V154-L199 HydrophobicContact CG1-CD2 3.7Å; V154-L202 HydrophobicContact CG1-CD2 4.3Å
155	D	98.9	Very high	98.7	Very high	57 Å²	57	35.5 Å²	35.5	31%	0.305	21%	0.207	S	C	.	.	H	α-helix	trans	-61.2	-41.3	178.7	-80.4	-12.2	0	0	0	112.1	I151 A153 G159 H198 L202	I151-D155 WeakPolarHBondContact O-CB 3.39Å; I151-D155 PolarHBondContact O-N 2.87Å; A153-D155 VanDerWaalsContact C-N 3.34Å; A153-D155 PolarHBondContact O-N 2.79Å; D155-G159 WeakPolarHBondContact O-CA 3.41Å; D155-G159 PolarHBondContact O-N 3.09Å; D155-H198 IonicContact OD1-CD2 3.39Å; D155-H198 IonicContact OD1-CE1 2.75Å; D155-H198 PolarHBondContact OD1-CE1 2.83Å; D155-H198 IonicContact OD1-NE2 3.47Å; D155-H198 PolarHBondContact OD1-NE2 2.66Å; D155-H198 IonicContact OD2-CE1 3.18Å; D155-H198 IonicContact OD2-NE2 2.68Å; D155-H198 PolarHBondContact OD2-NE2 3.15Å; D155-L202 WeakPolarHBondContact OD1-CD2 3.47Å
156	K	98.8	Very high	98.7	Very high	148 Å²	148	39.1 Å²	39.1	64%	0.643	22%	0.222	S	C	*	.	H	α-helix	trans	-65.4	-47.8	175.5	-71.8	173.7	-176.9	177.3	0	111.3	A152 A153 V154 G159 K160	A152-K156 WeakPolarHBondContact O-CG 3.27Å; A152-K156 PolarHBondContact O-N 3.38Å; A153-K156 PolarHBondContact O-N 3Å; V154-K156 VanDerWaalsContact C-N 3.33Å; V154-K156 PolarHBondContact O-N 3.23Å; K156-G159 PolarHBondContact O-N 2.77Å; K156-K160 PolarHBondContact O-N 3.15Å; K156-K160 VanDerWaalsContact O-N 3.11Å
157	W	98.8	Very high	98.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.1	-54.2	179.8	167.9	-126.9	0	0	0	112	I80 W82 H85 Y92 F94 A153 V154 G159 K160 L161	I80-W157 HydrophobicContact CG2-CH2 4.36Å; I80-W157 HydrophobicContact CG2-CZ2 3.9Å; W82-W157 HydrophobicContact CB-CD2 4.38Å; W82-W157 HydrophobicContact CB-CG 4.48Å; W82-W157 HydrophobicContact CB-CZ2 4.19Å; W82-W157 AromaticContact CD1-CD1 3.84Å; W82-W157 AromaticContact CD1-CD2 3.32Å; W82-W157 AromaticContact CD1-CE2 3.61Å; W82-W157 AromaticContact CD1-CE3 3.73Å; W82-W157 AromaticContact CD1-CG 3.49Å; W82-W157 VanDerWaalsContact CD1-CG 3.49Å; W82-W157 AromaticContact CD1-NE1 3.91Å; W82-W157 HydrophobicContact CD2-CB 4.06Å; W82-W157 AromaticContact CD2-CD1 3.56Å; W82-W157 HydrophobicContact CD2-CD2 4.32Å; W82-W157 AromaticContact CD2-CG 3.7Å; W82-W157 HydrophobicContact CD2-CG 3.7Å; W82-W157 VanDerWaalsContact CE2-CB 3.47Å; W82-W157 AromaticContact CE2-CD1 3.92Å; W82-W157 AromaticContact CE2-CG 3.58Å; W82-W157 AromaticContact CE3-CD1 3.98Å; W82-W157 HydrophobicContact CE3-CG 4.43Å; W82-W157 HydrophobicContact CG-CB 4.45Å; W82-W157 AromaticContact CG-CD1 3.56Å; W82-W157 AromaticContact CG-CD2 3.8Å; W82-W157 HydrophobicContact CG-CD2 3.8Å; W82-W157 AromaticContact CG-CE2 3.73Å; W82-W157 AromaticContact CG-CG 3.69Å; W82-W157 HydrophobicContact CG-CG 3.69Å; W82-W157 HydrophobicContact CG-CZ2 4.43Å; W82-W157 AromaticContact CG-NE1 3.59Å; W82-W157 HydrophobicContact CH2-CB 4.31Å; W82-W157 HydrophobicContact CZ2-CB 3.62Å; W82-W157 HydrophobicContact CZ2-CG 4.21Å; W82-W157 AromaticContact NE1-CD2 3.66Å; W82-W157 AromaticContact NE1-CE3 3.99Å; W82-W157 AromaticContact NE1-CG 3.45Å; H85-W157 HydrophobicContact CB-CH2 3.5Å; H85-W157 VanDerWaalsContact CB-CH2 3.5Å; H85-W157 HydrophobicContact CB-CZ2 4.44Å; H85-W157 HydrophobicContact CB-CZ3 3.88Å; Y92-W157 HydrophobicContact CD1-CE3 4.18Å; Y92-W157 AromaticContact CD1-CZ3 3.98Å; Y92-W157 HydrophobicContact CD1-CZ3 3.98Å; Y92-W157 AromaticContact CE1-CE3 3.85Å; Y92-W157 HydrophobicContact CE1-CE3 3.85Å; Y92-W157 HydrophobicContact CE1-CZ3 4.13Å; F94-W157 HydrophobicContact CE1-CH2 4.29Å; F94-W157 AromaticContact CZ-CH2 3.83Å; F94-W157 HydrophobicContact CZ-CH2 3.83Å; F94-W157 AromaticContact CZ-CZ3 3.84Å; F94-W157 HydrophobicContact CZ-CZ3 3.84Å; A153-W157 PolarHBondContact O-N 3.01Å; V154-W157 PolarHBondContact O-N 2.94Å; W157-G159 VanDerWaalsContact C-N 3.31Å; W157-G159 PolarHBondContact O-N 3.23Å; W157-K160 WeakPolarHBondContact O-CB 3.28Å; W157-K160 PolarHBondContact O-N 3.12Å; W157-L161 HydrophobicContact CD2-CB 4.3Å; W157-L161 HydrophobicContact CE3-CB 4.38Å; W157-L161 HydrophobicContact CH2-CB 4.08Å; W157-L161 HydrophobicContact CH2-CD1 3.93Å; W157-L161 HydrophobicContact CH2-CD2 4.3Å; W157-L161 HydrophobicContact CH2-CG 4.31Å; W157-L161 HydrophobicContact CZ2-CB 4Å; W157-L161 HydrophobicContact CZ2-CD1 4.03Å; W157-L161 HydrophobicContact CZ2-CD2 3.57Å; W157-L161 HydrophobicContact CZ2-CG 4.06Å; W157-L161 HydrophobicContact CZ3-CB 4.27Å; W157-L161 WeakPolarHBondContact O-CB 3.34Å; W157-L161 PolarHBondContact O-N 2.89Å
158	M	98.8	Very high	98.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-67.6	-32.8	-179.2	-69.9	-62.9	-179.9	0	0	112	P118 P120 V154 K160 L161 L162 P163 L202 F203	P118-M158 WeakPolarHBondContact O-CE 2.94Å; P120-M158 HydrophobicContact CB-CE 3.7Å; P120-M158 HydrophobicContact CG-CE 4.21Å; V154-M158 HydrophobicContact CG1-CG 4.04Å; V154-M158 VanDerWaalsContact O-CB 3.31Å; V154-M158 WeakPolarHBondContact O-CB 3.35Å; V154-M158 WeakPolarHBondContact O-CG 3.24Å; V154-M158 PolarHBondContact O-N 2.9Å; M158-K160 PolarHBondContact O-N 3.04Å; M158-L161 PolarHBondContact O-N 3.15Å; M158-L161 HydrophobicContact SD-CD2 4.25Å; M158-L162 HydrophobicContact CB-CD1 4.04Å; M158-L162 HydrophobicContact CB-CG 4.21Å; M158-L162 WeakPolarHBondContact O-CB 3.44Å; M158-L162 WeakPolarHBondContact O-CG 3.42Å; M158-L162 PolarHBondContact O-N 2.95Å; M158-L162 HydrophobicContact SD-CD1 4.15Å; M158-L162 HydrophobicContact SD-CD2 4.02Å; M158-L162 HydrophobicContact SD-CG 3.94Å; M158-P163 WeakPolarHBondContact O-CD 3.29Å; M158-L202 HydrophobicContact CB-CD2 3.57Å; M158-L202 HydrophobicContact CB-CG 4.13Å; M158-L202 HydrophobicContact CG-CD2 4.01Å; M158-F203 HydrophobicContact CE-CE2 3.99Å; M158-F203 HydrophobicContact CE-CZ 3.84Å; M158-F203 HydrophobicContact CG-CE2 4.29Å; M158-F203 HydrophobicContact SD-CE2 3.87Å; M158-F203 HydrophobicContact SD-CZ 3.93Å
159	G	98.4	Very high	98.7	Very high	31 Å²	31	35.5 Å²	35.5	32%	0.32	20%	0.197	S	C	.	.	H	α-helix	trans	-64.6	-21.3	170.9	0	0	0	0	0	113.9	D155 K156 W157 P163	D155-G159 WeakPolarHBondContact O-CA 3.41Å; D155-G159 PolarHBondContact O-N 3.09Å; K156-G159 PolarHBondContact O-N 2.77Å; W157-G159 VanDerWaalsContact C-N 3.31Å; W157-G159 PolarHBondContact O-N 3.23Å; G159-P163 WeakPolarHBondContact O-CD 3.29Å; G159-P163 VanDerWaalsContact O-CG 3.29Å; G159-P163 WeakPolarHBondContact O-CG 3.3Å
160	K	98.4	Very high	98.7	Very high	87 Å²	87	32.3 Å²	32.3	38%	0.378	18%	0.178	S	C	.	.	H	α-helix	trans	-89.5	-48.6	169.6	174.8	59.7	-178.8	172.6	0	111.9	Y92 F94 K156 W157 M158 T164	Y92-K160 HydrophobicContact CD1-CG 4.04Å; Y92-K160 HydrophobicContact CD2-CD 4.25Å; Y92-K160 HydrophobicContact CD2-CG 3.97Å; Y92-K160 HydrophobicContact CE1-CB 4.23Å; Y92-K160 HydrophobicContact CE1-CG 4.01Å; Y92-K160 HydrophobicContact CE2-CB 4.32Å; Y92-K160 HydrophobicContact CE2-CD 4.37Å; Y92-K160 HydrophobicContact CE2-CG 3.94Å; Y92-K160 HydrophobicContact CG-CG 4.03Å; F94-K160 HydrophobicContact CE2-CG 4.42Å; K156-K160 PolarHBondContact O-N 3.15Å; K156-K160 VanDerWaalsContact O-N 3.11Å; W157-K160 WeakPolarHBondContact O-CB 3.28Å; W157-K160 PolarHBondContact O-N 3.12Å; M158-K160 PolarHBondContact O-N 3.04Å; K160-T164 PolarHBondContact O-OG1 3.28Å
161	L	98.8	Very high	98.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-69.4	-54.9	-172.5	178.3	67.2	0	0	0	112.5	I80 F94 P118 W157 M158 T164 M165	I80-L161 HydrophobicContact CB-CD2 4.4Å; I80-L161 HydrophobicContact CD1-CD1 3.77Å; I80-L161 HydrophobicContact CD1-CD2 4.13Å; I80-L161 HydrophobicContact CD1-CG 4.39Å; I80-L161 HydrophobicContact CG2-CD1 3.99Å; I80-L161 HydrophobicContact CG2-CD2 4.07Å; F94-L161 HydrophobicContact CE1-CD1 4.29Å; F94-L161 HydrophobicContact CZ-CD1 4.38Å; P118-L161 HydrophobicContact CB-CD2 3.58Å; W157-L161 HydrophobicContact CD2-CB 4.3Å; W157-L161 HydrophobicContact CE3-CB 4.38Å; W157-L161 HydrophobicContact CH2-CB 4.08Å; W157-L161 HydrophobicContact CH2-CD1 3.93Å; W157-L161 HydrophobicContact CH2-CD2 4.3Å; W157-L161 HydrophobicContact CH2-CG 4.31Å; W157-L161 HydrophobicContact CZ2-CB 4Å; W157-L161 HydrophobicContact CZ2-CD1 4.03Å; W157-L161 HydrophobicContact CZ2-CD2 3.57Å; W157-L161 HydrophobicContact CZ2-CG 4.06Å; W157-L161 HydrophobicContact CZ3-CB 4.27Å; W157-L161 WeakPolarHBondContact O-CB 3.34Å; W157-L161 PolarHBondContact O-N 2.89Å; M158-L161 PolarHBondContact O-N 3.15Å; M158-L161 HydrophobicContact SD-CD2 4.25Å; L161-T164 WeakPolarHBondContact O-CA 3.38Å; L161-T164 VanDerWaalsContact O-CB 3.23Å; L161-T164 WeakPolarHBondContact O-CB 3.35Å; L161-T164 PolarHBondContact O-N 3.4Å; L161-M165 HydrophobicContact CD1-CE 4.42Å; L161-M165 HydrophobicContact CD1-CG 4.13Å; L161-M165 HydrophobicContact CD1-SD 4.4Å; L161-M165 HydrophobicContact CG-CG 4.23Å; L161-M165 WeakPolarHBondContact O-CG 3.25Å; L161-M165 PolarHBondContact O-N 2.85Å
162	L	98.9	Very high	98.7	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-64	-40	-169.6	-59.1	-178.2	0	0	0	113	P118 M158 T164 M165 K166 F203 Q206 L207	P118-L162 HydrophobicContact CB-CD2 4.35Å; P118-L162 HydrophobicContact CG-CD2 4.21Å; M158-L162 HydrophobicContact CB-CD1 4.04Å; M158-L162 HydrophobicContact CB-CG 4.21Å; M158-L162 WeakPolarHBondContact O-CB 3.44Å; M158-L162 WeakPolarHBondContact O-CG 3.42Å; M158-L162 PolarHBondContact O-N 2.95Å; M158-L162 HydrophobicContact SD-CD1 4.15Å; M158-L162 HydrophobicContact SD-CD2 4.02Å; M158-L162 HydrophobicContact SD-CG 3.94Å; L162-T164 PolarHBondContact O-N 3.07Å; L162-M165 PolarHBondContact O-N 3.48Å; L162-M165 VanDerWaalsContact O-N 3.09Å; L162-K166 PolarHBondContact O-N 2.78Å; L162-F203 HydrophobicContact CD1-CB 4.38Å; L162-F203 HydrophobicContact CD1-CD1 4.15Å; L162-F203 HydrophobicContact CD1-CD2 3.66Å; L162-F203 HydrophobicContact CD1-CE1 4.41Å; L162-F203 HydrophobicContact CD1-CE2 3.94Å; L162-F203 HydrophobicContact CD1-CG 3.79Å; L162-F203 HydrophobicContact CD1-CZ 4.31Å; L162-F203 HydrophobicContact CD2-CD1 4.35Å; L162-F203 HydrophobicContact CD2-CE1 4.09Å; L162-F203 HydrophobicContact CD2-CZ 4.26Å; L162-Q206 HydrophobicContact CB-CB 3.61Å; L162-Q206 HydrophobicContact CB-CG 4.09Å; L162-Q206 HydrophobicContact CD1-CB 4.07Å; L162-Q206 HydrophobicContact CD1-CG 4.2Å; L162-L207 HydrophobicContact CB-CD2 3.92Å; L162-L207 HydrophobicContact CB-CG 4.3Å; L162-L207 HydrophobicContact CD2-CD1 4.32Å; L162-L207 HydrophobicContact CD2-CD2 4.48Å; L162-L207 WeakPolarHBondContact O-CD2 3.32Å
163	P	98.7	Very high	98.6	Very high	50 Å²	50	37 Å²	37	33%	0.325	21%	0.205	S	C	.	.	H	α-helix	trans	-60.3	-34.4	170.8	-28.7	39.4	0	0	0	113.6	M158 G159 M165 K166 P167	M158-P163 WeakPolarHBondContact O-CD 3.29Å; G159-P163 WeakPolarHBondContact O-CD 3.29Å; G159-P163 VanDerWaalsContact O-CG 3.29Å; G159-P163 WeakPolarHBondContact O-CG 3.3Å; P163-M165 VanDerWaalsContact C-N 3.3Å; P163-K166 PolarHBondContact O-N 2.6Å; P163-P167 WeakPolarHBondContact O-CD 3.34Å
164	T	98.5	Very high	98.6	Very high	23 Å²	23	36.7 Å²	36.7	14%	0.141	20%	0.203	C	C	.	.	H	α-helix	trans	-67.1	-34	175.6	-51.3	0	0	0	0	110.9	E101 K160 L161 L162 P167	E101-T164 HydrophobicContact CG-CG2 3.72Å; E101-T164 VanDerWaalsContact OE1-CG2 3.25Å; E101-T164 WeakPolarHBondContact OE1-CG2 3.44Å; K160-T164 PolarHBondContact O-OG1 3.28Å; L161-T164 WeakPolarHBondContact O-CA 3.38Å; L161-T164 VanDerWaalsContact O-CB 3.23Å; L161-T164 WeakPolarHBondContact O-CB 3.35Å; L161-T164 PolarHBondContact O-N 3.4Å; L162-T164 PolarHBondContact O-N 3.07Å; T164-P167 WeakPolarHBondContact O-CD 3.4Å
165	M	98.8	Very high	98.6	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-81.2	-22.5	177.6	-58.3	-61.1	91.2	0	0	113.4	I80 V100 E101 L104 L116 L161 L162 P163 Y168 I176	I80-M165 HydrophobicContact CD1-CG 4.42Å; I80-M165 HydrophobicContact CD1-SD 3.82Å; V100-M165 HydrophobicContact CG1-CE 3.9Å; V100-M165 HydrophobicContact CG1-SD 4.49Å; E101-M165 HydrophobicContact CG-CE 4.15Å; L104-M165 HydrophobicContact CD1-CE 4.27Å; L104-M165 HydrophobicContact CD1-SD 3.69Å; L116-M165 HydrophobicContact CD2-CB 4.12Å; L116-M165 HydrophobicContact CD2-CG 3.76Å; L116-M165 HydrophobicContact CD2-SD 3.9Å; L161-M165 HydrophobicContact CD1-CE 4.42Å; L161-M165 HydrophobicContact CD1-CG 4.13Å; L161-M165 HydrophobicContact CD1-SD 4.4Å; L161-M165 HydrophobicContact CG-CG 4.23Å; L161-M165 WeakPolarHBondContact O-CG 3.25Å; L161-M165 PolarHBondContact O-N 2.85Å; L162-M165 PolarHBondContact O-N 3.48Å; L162-M165 VanDerWaalsContact O-N 3.09Å; P163-M165 VanDerWaalsContact C-N 3.3Å; M165-Y168 WeakPolarHBondContact O-CA 3.48Å; M165-Y168 WeakPolarHBondContact O-CB 3.29Å; M165-Y168 PolarHBondContact O-N 2.84Å; M165-I176 HydrophobicContact CB-CD1 4.44Å
166	K	98.8	Very high	98.6	Very high	83 Å²	83	34.1 Å²	34.1	36%	0.361	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-54.1	-44.1	-174.7	-171.7	-179.2	-165.6	154.3	0	114.4	L162 P163 Y168 L169 N172 Q206 L207	L162-K166 PolarHBondContact O-N 2.78Å; P163-K166 PolarHBondContact O-N 2.6Å; K166-Y168 PolarHBondContact O-N 3.38Å; K166-Y168 VanDerWaalsContact O-N 3.13Å; K166-L169 HydrophobicContact CG-CD1 4.12Å; K166-L169 WeakPolarHBondContact O-CB 3.43Å; K166-L169 VanDerWaalsContact O-CG 3.3Å; K166-L169 WeakPolarHBondContact O-CG 3.47Å; K166-L169 PolarHBondContact O-N 2.85Å; K166-L169 VanDerWaalsContact O-N 3.14Å; K166-N172 PolarHBondContact O-ND2 3.18Å; K166-Q206 WeakPolarHBondContact CD-O 3.43Å; K166-Q206 WeakPolarHBondContact CE-O 3.25Å; K166-Q206 PolarHBondContact NZ-O 2.98Å; K166-L207 HydrophobicContact CB-CD2 4.42Å
167	P	98.6	Very high	98.6	Very high	81 Å²	81	27.1 Å²	27.1	53%	0.526	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-61.8	-20.3	177	-23.3	35.3	0	0	0	113.7	P163 T164	P163-P167 WeakPolarHBondContact O-CD 3.34Å; T164-P167 WeakPolarHBondContact O-CD 3.4Å
168	Y	98.8	Very high	98.6	Very high	12 Å²	12	27.2 Å²	27.2	5%	0.047	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-90.9	-1.9	-179.1	-64.5	-79	0	0	0	113.7	E101 L104 K105 M165 K166 G174 P175 I176	E101-Y168 HydrophobicContact CB-CE2 4.16Å; E101-Y168 WeakPolarHBondContact CB-OH 3.31Å; E101-Y168 HydrophobicContact CG-CE2 3.89Å; E101-Y168 PolarHBondContact O-OH 3.34Å; L104-Y168 HydrophobicContact CB-CD1 3.94Å; L104-Y168 HydrophobicContact CB-CE1 4.17Å; L104-Y168 HydrophobicContact CB-CG 4.33Å; L104-Y168 HydrophobicContact CD1-CD1 4.41Å; L104-Y168 HydrophobicContact CD1-CD2 4.17Å; L104-Y168 HydrophobicContact CD1-CG 3.97Å; K105-Y168 HydrophobicContact CD-CE1 4.36Å; K105-Y168 WeakPolarHBondContact CE-OH 3.05Å; K105-Y168 HydrophobicContact CG-CE1 3.54Å; K105-Y168 PolarHBondContact NZ-OH 2.94Å; M165-Y168 WeakPolarHBondContact O-CA 3.48Å; M165-Y168 WeakPolarHBondContact O-CB 3.29Å; M165-Y168 PolarHBondContact O-N 2.84Å; K166-Y168 PolarHBondContact O-N 3.38Å; K166-Y168 VanDerWaalsContact O-N 3.13Å; Y168-G174 CarbonylContact O-C 3.16Å; Y168-G174 VanDerWaalsContact O-C 3.23Å; Y168-G174 VanDerWaalsContact O-CA 3.27Å; Y168-G174 WeakPolarHBondContact O-CA 3.37Å; Y168-P175 VanDerWaalsContact O-CD 3.3Å; Y168-P175 WeakPolarHBondContact O-CD 3.32Å; Y168-P175 VanDerWaalsContact O-N 3.14Å; Y168-I176 VanDerWaalsContact O-CB 3.31Å; Y168-I176 WeakPolarHBondContact O-CB 3.47Å; Y168-I176 WeakPolarHBondContact O-CG1 3.42Å; Y168-I176 PolarHBondContact O-N 3.28Å
169	L	98.9	Very high	98.6	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	16%	0.16	C	C	.	.	B	Isolated β-bridge	trans	-64.5	145.2	172.3	-60.6	176.9	0	0	0	110.8	K166 Q171 N172 G173 G174 I176 V179 L207 V211	K166-L169 HydrophobicContact CG-CD1 4.12Å; K166-L169 WeakPolarHBondContact O-CB 3.43Å; K166-L169 VanDerWaalsContact O-CG 3.3Å; K166-L169 WeakPolarHBondContact O-CG 3.47Å; K166-L169 PolarHBondContact O-N 2.85Å; K166-L169 VanDerWaalsContact O-N 3.14Å; L169-Q171 VanDerWaalsContact C-N 3.31Å; L169-Q171 PolarHBondContact O-N 3.44Å; L169-N172 HydrophobicContact CB-CB 4.47Å; L169-N172 CarbonylContact O-C 3.14Å; L169-N172 WeakPolarHBondContact O-CA 3.45Å; L169-N172 WeakPolarHBondContact O-CB 3.24Å; L169-N172 PolarHBondContact O-N 2.86Å; L169-G173 PolarHBondContact O-N 2.93Å; L169-G174 PolarHBondContact O-N 2.86Å; L169-I176 HydrophobicContact CD2-CB 4.16Å; L169-I176 HydrophobicContact CD2-CG2 3.93Å; L169-V179 HydrophobicContact CD2-CG2 4.17Å; L169-L207 HydrophobicContact CD1-CB 4Å; L169-L207 HydrophobicContact CD1-CD2 4.16Å; L169-L207 WeakPolarHBondContact CD1-O 3.35Å; L169-V211 HydrophobicContact CD1-CB 4.46Å; L169-V211 HydrophobicContact CD2-CB 4.48Å; L169-V211 HydrophobicContact CD2-CG2 3.94Å
170	Y	98.8	Very high	98.7	Very high	27 Å²	27	25.8 Å²	25.8	11%	0.106	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-58.1	-43.3	-175.6	-171.1	-102.2	0	0	0	112.3	P26 S27 F28 K39 D40 L113 N172 G173 G174 I176 I177	P26-Y170 HydrophobicContact CB-CD1 4.07Å; P26-Y170 HydrophobicContact CB-CE1 3.72Å; P26-Y170 WeakPolarHBondContact CB-O 3.36Å; S27-Y170 WeakPolarHBondContact O-CE1 3.37Å; F28-Y170 HydrophobicContact CB-CD1 3.9Å; F28-Y170 HydrophobicContact CB-CG 4.48Å; K39-Y170 VanDerWaalsContact CE-CZ 3.48Å; K39-Y170 WeakPolarHBondContact CE-OH 3.18Å; K39-Y170 HydrophobicContact CG-CE1 4.05Å; K39-Y170 PolarHBondContact NZ-OH 2.94Å; D40-Y170 VanDerWaalsContact CG-OH 3.27Å; D40-Y170 VanDerWaalsContact OD1-CE1 3.3Å; D40-Y170 WeakPolarHBondContact OD1-CE1 3.43Å; D40-Y170 PolarHBondContact OD1-OH 3.49Å; D40-Y170 VanDerWaalsContact OD1-OH 3.14Å; D40-Y170 PolarHBondContact OD2-OH 2.83Å; L113-Y170 HydrophobicContact CD2-CD2 3.93Å; L113-Y170 HydrophobicContact CD2-CE2 3.91Å; Y170-N172 PolarHBondContact O-N 3.16Å; Y170-N172 VanDerWaalsContact O-N 3.13Å; Y170-G173 PolarHBondContact O-N 2.93Å; Y170-G174 WeakPolarHBondContact CA-O 3.38Å; Y170-G174 WeakPolarHBondContact CD2-O 3.36Å; Y170-I176 VanDerWaalsContact CB-O 3.29Å; Y170-I176 WeakPolarHBondContact CB-O 3.3Å; Y170-I176 PolarHBondContact N-O 3.03Å; Y170-I177 HydrophobicContact CD2-CG2 4Å; Y170-I177 HydrophobicContact CG-CG2 3.95Å
171	Q	98	Very high	98.7	Very high	39 Å²	39	21.7 Å²	21.7	18%	0.182	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-63.4	-18.4	175.4	69.4	-87.9	26.7	0	0	114.3	P26 L169 E210	P26-Q171 WeakPolarHBondContact O-CA 3.06Å; L169-Q171 VanDerWaalsContact C-N 3.31Å; L169-Q171 PolarHBondContact O-N 3.44Å; Q171-E210 HydrophobicContact CG-CB 4.2Å
172	N	98.3	Very high	98.7	Very high	83 Å²	83	21.9 Å²	21.9	44%	0.444	13%	0.128	S	C	.	.	G	3₁₀ helix	trans	-99.5	8.4	176.2	-61.5	-29.1	0	0	0	112.4	K166 L169 Y170	K166-N172 PolarHBondContact O-ND2 3.18Å; L169-N172 HydrophobicContact CB-CB 4.47Å; L169-N172 CarbonylContact O-C 3.14Å; L169-N172 WeakPolarHBondContact O-CA 3.45Å; L169-N172 WeakPolarHBondContact O-CB 3.24Å; L169-N172 PolarHBondContact O-N 2.86Å; Y170-N172 PolarHBondContact O-N 3.16Å; Y170-N172 VanDerWaalsContact O-N 3.13Å
173	G	97.6	Very high	98.7	Very high	42 Å²	42	21.9 Å²	21.9	43%	0.433	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.7	10.2	178.3	0	0	0	0	0	115.1	Q108 L169 Y170	Q108-G173 PolarHBondContact NE2-O 2.67Å; L169-G173 PolarHBondContact O-N 2.93Å; Y170-G173 PolarHBondContact O-N 2.93Å
174	G	98.6	Very high	98.7	Very high	4 Å²	4	20.6 Å²	20.6	4%	0.041	12%	0.118	C	C	.	.	S	Bend	trans	-96.6	-172.4	174	0	0	0	0	0	114.1	Y168 L169 Y170	Y168-G174 CarbonylContact O-C 3.16Å; Y168-G174 VanDerWaalsContact O-C 3.23Å; Y168-G174 VanDerWaalsContact O-CA 3.27Å; Y168-G174 WeakPolarHBondContact O-CA 3.37Å; L169-G174 PolarHBondContact O-N 2.86Å; Y170-G174 WeakPolarHBondContact CA-O 3.38Å; Y170-G174 WeakPolarHBondContact CD2-O 3.36Å
175	P	98.8	Very high	98.7	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.019	11%	0.112	C	C	.	.	S	Bend	trans	-90	-12.4	-176.1	36	-37.2	0	0	0	114.8	Q108 L113 V114 Y168 I177	Q108-P175 HydrophobicContact CB-CB 3.96Å; Q108-P175 HydrophobicContact CB-CG 3.99Å; Q108-P175 HydrophobicContact CG-CB 4.41Å; L113-P175 CarbonylContact C-O 3.54Å; L113-P175 WeakPolarHBondContact CA-O 3.47Å; V114-P175 HydrophobicContact CB-CB 4.39Å; V114-P175 HydrophobicContact CB-CG 4.4Å; V114-P175 HydrophobicContact CG2-CB 3.91Å; V114-P175 HydrophobicContact CG2-CG 3.86Å; V114-P175 PolarHBondContact N-O 2.7Å; Y168-P175 VanDerWaalsContact O-CD 3.3Å; Y168-P175 WeakPolarHBondContact O-CD 3.32Å; Y168-P175 VanDerWaalsContact O-N 3.14Å; P175-I177 PolarHBondContact O-N 3.32Å
176	I	98.9	Very high	98.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	111.3	-170.2	-57.5	165.8	0	0	0	111.1	L104 V114 L116 M165 Y168 L169 Y170 V179	L104-I176 HydrophobicContact CD1-CD1 4.06Å; L104-I176 HydrophobicContact CD2-CD1 4.48Å; L104-I176 HydrophobicContact CD2-CG1 4.3Å; V114-I176 HydrophobicContact CB-CG1 4.09Å; V114-I176 HydrophobicContact CG1-CG1 4.11Å; V114-I176 CarbonylContact O-C 3.59Å; V114-I176 VanDerWaalsContact O-CA 3.31Å; V114-I176 WeakPolarHBondContact O-CA 3.4Å; L116-I176 HydrophobicContact CB-CD1 4.48Å; L116-I176 HydrophobicContact CB-CG2 3.93Å; L116-I176 HydrophobicContact CD2-CD1 3.91Å; M165-I176 HydrophobicContact CB-CD1 4.44Å; Y168-I176 VanDerWaalsContact O-CB 3.31Å; Y168-I176 WeakPolarHBondContact O-CB 3.47Å; Y168-I176 WeakPolarHBondContact O-CG1 3.42Å; Y168-I176 PolarHBondContact O-N 3.28Å; L169-I176 HydrophobicContact CD2-CB 4.16Å; L169-I176 HydrophobicContact CD2-CG2 3.93Å; Y170-I176 VanDerWaalsContact CB-O 3.29Å; Y170-I176 WeakPolarHBondContact CB-O 3.3Å; Y170-I176 PolarHBondContact N-O 3.03Å; I176-V179 HydrophobicContact CG2-CG2 3.68Å
177	I	98.9	Very high	98.6	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.01	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-31.7	-178.1	49.5	167.3	0	0	0	113.7	F28 F44 Y46 L113 V114 I115 Y170 P175	F28-I177 HydrophobicContact CB-CG2 4.44Å; F28-I177 HydrophobicContact CD1-CB 3.94Å; F28-I177 WeakPolarHBondContact CD1-O 3.23Å; F28-I177 HydrophobicContact CD2-CB 3.77Å; F28-I177 HydrophobicContact CD2-CG2 3.57Å; F28-I177 HydrophobicContact CE1-CB 4Å; F28-I177 HydrophobicContact CE2-CB 3.81Å; F28-I177 HydrophobicContact CE2-CD1 3.93Å; F28-I177 HydrophobicContact CE2-CG1 4.45Å; F28-I177 HydrophobicContact CE2-CG2 3.87Å; F28-I177 HydrophobicContact CG-CB 3.83Å; F28-I177 HydrophobicContact CG-CG2 3.94Å; F28-I177 HydrophobicContact CZ-CB 3.94Å; F28-I177 HydrophobicContact CZ-CD1 3.86Å; F28-I177 HydrophobicContact CZ-CG1 4.37Å; F44-I177 HydrophobicContact CE1-CD1 4.2Å; Y46-I177 HydrophobicContact CD1-CD1 4.32Å; L113-I177 HydrophobicContact CB-CD1 4.05Å; L113-I177 HydrophobicContact CB-CG1 4.25Å; L113-I177 HydrophobicContact CB-CG2 4.25Å; L113-I177 HydrophobicContact CD1-CD1 4.19Å; L113-I177 HydrophobicContact CD1-CG2 4.11Å; L113-I177 HydrophobicContact CD2-CG2 3.88Å; L113-I177 HydrophobicContact CG-CG2 4.3Å; V114-I177 WeakPolarHBondContact O-CG1 3.44Å; V114-I177 PolarHBondContact O-N 3.42Å; I115-I177 HydrophobicContact CD1-CD1 4.5Å; I115-I177 HydrophobicContact CG1-CD1 4.42Å; I115-I177 HydrophobicContact CG1-CG1 4.42Å; Y170-I177 HydrophobicContact CD2-CG2 4Å; Y170-I177 HydrophobicContact CG-CG2 3.95Å; P175-I177 PolarHBondContact O-N 3.32Å
178	T	98.9	Very high	98.6	Very high	2 Å²	2	14.1 Å²	14.1	1%	0.012	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	151.3	178.9	65.4	0	0	0	0	110.3	F28 I115 L116 V212	F28-T178 HydrophobicContact CD1-CG2 4.28Å; F28-T178 HydrophobicContact CE1-CG2 3.6Å; F28-T178 HydrophobicContact CZ-CG2 4.35Å; I115-T178 WeakPolarHBondContact CG1-OG1 3.44Å; I115-T178 WeakPolarHBondContact CG2-OG1 3.34Å; L116-T178 PolarHBondContact N-O 3.07Å; T178-V212 WeakPolarHBondContact CA-O 3.35Å; T178-V212 HydrophobicContact CG2-CB 4.05Å; T178-V212 HydrophobicContact CG2-CG1 4.08Å
179	V	99	Very high	98.6	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.006	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	121.4	179.4	-177.2	0	0	0	0	110.2	L116 P118 L169 I176 F203 L207 V211 V212 L213 F214	L116-V179 HydrophobicContact CB-CG2 4.35Å; L116-V179 CarbonylContact O-C 3.56Å; L116-V179 VanDerWaalsContact O-CA 3.3Å; L116-V179 WeakPolarHBondContact O-CA 3.45Å; P118-V179 HydrophobicContact CG-CG1 3.74Å; L169-V179 HydrophobicContact CD2-CG2 4.17Å; I176-V179 HydrophobicContact CG2-CG2 3.68Å; V179-F203 HydrophobicContact CG1-CD1 4.02Å; V179-F203 HydrophobicContact CG1-CE1 3.83Å; V179-L207 HydrophobicContact CB-CD1 4.39Å; V179-L207 HydrophobicContact CG1-CD1 4.12Å; V179-L207 HydrophobicContact CG2-CD1 4.2Å; V179-V211 HydrophobicContact CB-CG2 4.4Å; V179-V211 HydrophobicContact CG2-CG2 3.79Å; V179-V212 PolarHBondContact N-O 3.32Å; V179-L213 HydrophobicContact CB-CD2 3.77Å; V179-L213 HydrophobicContact CG1-CD2 4.29Å; V179-L213 VanDerWaalsContact O-CA 3.3Å; V179-L213 WeakPolarHBondContact O-CA 3.34Å; V179-F214 VanDerWaalsContact C-CD1 3.45Å; V179-F214 VanDerWaalsContact C-CE1 3.48Å; V179-F214 WeakPolarHBondContact O-CD1 3.46Å; V179-F214 PolarHBondContact O-N 3.01Å; V179-F214 VanDerWaalsContact O-N 3.09Å
180	Q	98.9	Very high	98.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	138.9	176.3	-160.8	178.4	-77.6	0	0	110.2	L116 R117 P118 E182 N183 F214 T216	L116-Q180 PolarHBondContact O-N 3.35Å; R117-Q180 HydrophobicContact CB-CB 4.14Å; R117-Q180 HydrophobicContact CG-CB 3.79Å; P118-Q180 WeakPolarHBondContact CD-O 3.46Å; Q180-E182 PolarHBondContact NE2-O 3.47Å; Q180-N183 PolarHBondContact NE2-OD1 3.24Å; Q180-F214 CarbonylContact C-O 3.6Å; Q180-F214 WeakPolarHBondContact CA-O 3.3Å; Q180-F214 HydrophobicContact CB-CD1 4.23Å; Q180-F214 HydrophobicContact CB-CD2 4.45Å; Q180-F214 HydrophobicContact CB-CE1 3.67Å; Q180-F214 HydrophobicContact CB-CE2 3.94Å; Q180-F214 HydrophobicContact CB-CZ 3.52Å; Q180-F214 HydrophobicContact CG-CD2 4.12Å; Q180-F214 HydrophobicContact CG-CE1 4.36Å; Q180-F214 HydrophobicContact CG-CE2 3.76Å; Q180-F214 HydrophobicContact CG-CZ 3.89Å; Q180-T216 PolarHBondContact OE1-OG1 2.84Å
181	V	98.9	Very high	98.5	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.006	13%	0.128	C	C	.	.			trans	-105.5	124.1	170.6	-176.1	0	0	0	0	108.1	L199 F203 L213 F214 L232	V181-L199 HydrophobicContact CG1-CB 3.54Å; V181-L199 HydrophobicContact CG1-CD1 4.01Å; V181-L199 HydrophobicContact CG1-CG 4.44Å; V181-F203 HydrophobicContact CG1-CE2 4.48Å; V181-F203 HydrophobicContact CG2-CB 4.49Å; V181-F203 HydrophobicContact CG2-CD1 3.78Å; V181-F203 HydrophobicContact CG2-CE1 4.06Å; V181-F203 HydrophobicContact CG2-CG 4.09Å; V181-L213 HydrophobicContact CG2-CB 4.13Å; V181-L213 HydrophobicContact CG2-CD1 4.24Å; V181-L213 HydrophobicContact CG2-CD2 4.47Å; V181-F214 PolarHBondContact N-O 3.4Å; V181-L232 HydrophobicContact CB-CD1 3.71Å; V181-L232 HydrophobicContact CG1-CD1 4.04Å; V181-L232 HydrophobicContact CG2-CD1 3.91Å; V181-L232 HydrophobicContact CG2-CD2 3.93Å
182	E	98.8	Very high	98.5	Very high	3 Å²	3	21.3 Å²	21.3	1%	0.014	13%	0.126	C	C	.	.	S	Bend	trans	61.4	-166.6	-173.7	-124.4	-79.1	160.4	0	0	112.2	G119 R144 Q180 Y185 Y195 M196 L199	G119-E182 PolarHBondContact O-N 2.8Å; G119-E182 VanDerWaalsContact O-N 3.15Å; R144-E182 IonicContact CZ-OE1 3.1Å; R144-E182 IonicContact CZ-OE2 3.27Å; R144-E182 IonicContact NE-OE1 2.62Å; R144-E182 PolarHBondContact NE-OE1 3.31Å; R144-E182 IonicContact NE-OE2 2.77Å; R144-E182 IonicContact NH2-OE1 2.75Å; R144-E182 PolarHBondContact NH2-OE1 3.18Å; R144-E182 IonicContact NH2-OE2 2.79Å; R144-E182 PolarHBondContact NH2-OE2 3.13Å; Q180-E182 PolarHBondContact NE2-O 3.47Å; E182-Y185 HydrophobicContact CG-CD2 4.27Å; E182-Y195 HydrophobicContact CG-CE1 3.61Å; E182-Y195 WeakPolarHBondContact CG-OH 3.35Å; E182-Y195 PolarHBondContact OE1-OH 3.3Å; E182-Y195 VanDerWaalsContact OE1-OH 3.12Å; E182-M196 HydrophobicContact CB-CE 4.05Å; E182-M196 HydrophobicContact CB-SD 3.92Å; E182-M196 HydrophobicContact CG-SD 3.88Å; E182-L199 HydrophobicContact CB-CD1 4.05Å; E182-L199 HydrophobicContact CG-CD1 3.7Å
183	N	98.9	Very high	98.5	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	12%	0.12	C	C	.	.	S	Bend	trans	-153.9	117.4	173.9	-171.5	74.7	0	0	0	112.3	Y79 Y121 R144 Q180 Y185	Y79-N183 VanDerWaalsContact OH-CG 3.22Å; Y79-N183 PolarHBondContact OH-OD1 3.41Å; Y121-N183 HydrophobicContact CD1-CB 4.09Å; Y121-N183 HydrophobicContact CE1-CB 4.33Å; Y121-N183 WeakPolarHBondContact O-CB 3.32Å; R144-N183 PolarHBondContact NH2-O 3.44Å; Q180-N183 PolarHBondContact NE2-OD1 3.24Å; N183-Y185 VanDerWaalsContact C-N 3.27Å; N183-Y185 PolarHBondContact O-N 3.02Å
184	E	98.7	Very high	98.6	Very high	24 Å²	24	23.5 Å²	23.5	11%	0.112	12%	0.123	C	C	.	.			trans	47.3	49.7	178.2	-61.2	-173.6	105.9	0	0	112.5	R144 G186 S187 T216 D217	R144-E184 PolarHBondContact NH2-O 3.09Å; E184-G186 PolarHBondContact O-N 3.5Å; E184-S187 WeakPolarHBondContact O-CB 3.45Å; E184-S187 PolarHBondContact O-N 3.33Å; E184-S187 VanDerWaalsContact O-N 3.09Å; E184-T216 WeakPolarHBondContact CA-O 3.47Å; E184-T216 PolarHBondContact N-O 3.18Å; E184-D217 VanDerWaalsContact C-OD1 3.29Å; E184-D217 WeakPolarHBondContact CA-OD1 3.39Å
185	Y	98.8	Very high	98.6	Very high	3 Å²	3	23.3 Å²	23.3	1%	0.012	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-64.9	-25.8	-178.2	-166	-115.3	0	0	0	112	R144 E182 N183 S187 Y188 T190 D192 Y195 M196 D217 C226	R144-Y185 HydrophobicContact CB-CE2 4.03Å; R144-Y185 WeakPolarHBondContact O-CE2 3.32Å; R144-Y185 PolarHBondContact O-OH 2.98Å; E182-Y185 HydrophobicContact CG-CD2 4.27Å; N183-Y185 VanDerWaalsContact C-N 3.27Å; N183-Y185 PolarHBondContact O-N 3.02Å; Y185-S187 PolarHBondContact O-N 2.92Å; Y185-Y188 AromaticContact CE2-CD1 3.89Å; Y185-Y188 HydrophobicContact CE2-CD1 3.89Å; Y185-Y188 WeakPolarHBondContact O-CB 3.15Å; Y185-Y188 PolarHBondContact O-N 3.43Å; Y185-T190 PolarHBondContact OH-OG1 3.42Å; Y185-D192 VanDerWaalsContact OH-CB 3.27Å; Y185-D192 WeakPolarHBondContact OH-CB 3.2Å; Y185-D192 PolarHBondContact OH-N 3.04Å; Y185-D192 VanDerWaalsContact OH-N 3.09Å; Y185-Y195 HydrophobicContact CD2-CD1 4.31Å; Y185-Y195 HydrophobicContact CD2-CE1 4Å; Y185-Y195 HydrophobicContact CE1-CD1 4.26Å; Y185-Y195 AromaticContact CE2-CD1 3.65Å; Y185-Y195 HydrophobicContact CE2-CD1 3.65Å; Y185-Y195 AromaticContact CE2-CE1 3.63Å; Y185-Y195 HydrophobicContact CE2-CE1 3.63Å; Y185-Y195 AromaticContact CZ-CD1 3.6Å; Y185-M196 HydrophobicContact CD1-CG 3.48Å; Y185-M196 VanDerWaalsContact CD1-CG 3.48Å; Y185-M196 HydrophobicContact CD1-SD 3.67Å; Y185-M196 HydrophobicContact CD2-SD 4.38Å; Y185-M196 HydrophobicContact CE1-CG 3.71Å; Y185-M196 HydrophobicContact CE1-SD 4.25Å; Y185-M196 HydrophobicContact CG-CG 4.2Å; Y185-M196 HydrophobicContact CG-SD 3.74Å; Y185-D217 PolarHBondContact N-OD1 3.11Å; Y185-C226 WeakPolarHBondContact CD1-O 3.39Å
186	G	98.5	Very high	98.6	Very high	13 Å²	13	23.3 Å²	23.3	13%	0.134	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-58.3	-25.8	171.9	0	0	0	0	0	115	E184 Y188 D217 Y223	E184-G186 PolarHBondContact O-N 3.5Å; G186-Y188 VanDerWaalsContact C-N 3.33Å; G186-D217 WeakPolarHBondContact CA-OD1 3.48Å; G186-D217 PolarHBondContact N-OD1 2.81Å; G186-Y223 WeakPolarHBondContact CA-O 3.32Å
187	S	97.9	Very high	98.6	Very high	26 Å²	26	29.6 Å²	29.6	18%	0.182	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-87.3	-2.4	177	-64.6	0	0	0	0	113	E184 Y185 Y223 Y481	E184-S187 WeakPolarHBondContact O-CB 3.45Å; E184-S187 PolarHBondContact O-N 3.33Å; E184-S187 VanDerWaalsContact O-N 3.09Å; Y185-S187 PolarHBondContact O-N 2.92Å; S187-Y223 WeakPolarHBondContact OG-CD1 3.41Å; S187-Y481 WeakPolarHBondContact CB-OH 3.35Å
188	Y	98.4	Very high	98.5	Very high	10 Å²	10	32.1 Å²	32.1	4%	0.039	16%	0.156	C	C	.	.	S	Bend	trans	-103	142	-178	-160.9	-117.3	0	0	0	112.4	L143 R144 Y185 G186 T190 G482 I485	L143-Y188 WeakPolarHBondContact O-CE1 3.16Å; L143-Y188 PolarHBondContact O-OH 2.83Å; R144-Y188 HydrophobicContact CB-CD1 3.86Å; R144-Y188 HydrophobicContact CB-CE1 3.62Å; R144-Y188 HydrophobicContact CG-CE1 4.38Å; Y185-Y188 AromaticContact CE2-CD1 3.89Å; Y185-Y188 HydrophobicContact CE2-CD1 3.89Å; Y185-Y188 WeakPolarHBondContact O-CB 3.15Å; Y185-Y188 PolarHBondContact O-N 3.43Å; G186-Y188 VanDerWaalsContact C-N 3.33Å; Y188-T190 VanDerWaalsContact C-N 3.33Å; Y188-T190 HydrophobicContact CD1-CG2 4.02Å; Y188-T190 WeakPolarHBondContact CD1-OG1 3.46Å; Y188-T190 HydrophobicContact CE1-CG2 3.55Å; Y188-T190 WeakPolarHBondContact CE1-OG1 3.39Å; Y188-T190 PolarHBondContact O-N 3.28Å; Y188-G482 VanDerWaalsContact CE2-O 3.27Å; Y188-G482 WeakPolarHBondContact CE2-O 3.49Å; Y188-I485 HydrophobicContact CE2-CD1 3.76Å; Y188-I485 HydrophobicContact CE2-CG1 4.04Å
189	F	97.7	Very high	98.5	Very high	128 Å²	128	32 Å²	32	56%	0.561	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-20.4	-165.3	74.9	-85.6	0	0	0	114.7	K483	F189-K483 HydrophobicContact CD1-CB 3.36Å; F189-K483 HydrophobicContact CE1-CB 3.7Å; F189-K483 HydrophobicContact CG-CB 4.16Å
190	T	97.5	Very high	98.5	Very high	35 Å²	35	33 Å²	33	22%	0.215	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-33	-172.9	50.9	0	0	0	0	112.5	V142 R144 Y185 Y188 D192	V142-T190 HydrophobicContact CG1-CG2 3.91Å; R144-T190 PolarHBondContact O-OG1 2.91Å; Y185-T190 PolarHBondContact OH-OG1 3.42Å; Y188-T190 VanDerWaalsContact C-N 3.33Å; Y188-T190 HydrophobicContact CD1-CG2 4.02Å; Y188-T190 WeakPolarHBondContact CD1-OG1 3.46Å; Y188-T190 HydrophobicContact CE1-CG2 3.55Å; Y188-T190 WeakPolarHBondContact CE1-OG1 3.39Å; Y188-T190 PolarHBondContact O-N 3.28Å; T190-D192 PolarHBondContact O-N 2.97Å; T190-D192 VanDerWaalsContact O-N 3.13Å
191	C	97.9	Very high	98.5	Very high	38 Å²	38	40.6 Å²	40.6	26%	0.257	19%	0.194	S	C	.	.			trans	45.8	42.2	-177.4	-165.5	0	0	0	0	112.5	Y193 C226	C191-Y193 PolarHBondContact O-N 3.03Å; C191-C226 HydrophobicContact CB-CB 3.81Å; C191-C226 WeakPolarHBondContact CB-SG 3.44Å; C191-C226 WeakPolarHBondContact SG-CB 3.32Å; C191-C226 CovalentContact SG-SG 2.04Å; C191-C226 PolarHBondContact SG-SG 2.79Å
192	D	98.6	Very high	98.5	Very high	28 Å²	28	41.5 Å²	41.5	15%	0.15	20%	0.199	C	C	.	.			trans	-89.9	98.9	-173	-174	-12.6	0	0	0	111.2	S146 Y185 T190 N194 Y195 M196	S146-D192 WeakPolarHBondContact CB-OD2 3.48Å; S146-D192 PolarHBondContact N-OD2 3.09Å; S146-D192 PolarHBondContact OG-OD2 3.09Å; Y185-D192 VanDerWaalsContact OH-CB 3.27Å; Y185-D192 WeakPolarHBondContact OH-CB 3.2Å; Y185-D192 PolarHBondContact OH-N 3.04Å; Y185-D192 VanDerWaalsContact OH-N 3.09Å; T190-D192 PolarHBondContact O-N 2.97Å; T190-D192 VanDerWaalsContact O-N 3.13Å; D192-N194 VanDerWaalsContact C-N 3.27Å; D192-N194 PolarHBondContact O-N 2.97Å; D192-N194 WeakPolarHBondContact OD1-CA 3.49Å; D192-N194 VanDerWaalsContact OD1-CB 3.28Å; D192-N194 WeakPolarHBondContact OD1-CB 3.49Å; D192-N194 PolarHBondContact OD1-N 3.4Å; D192-Y195 WeakPolarHBondContact O-CB 3.33Å; D192-Y195 PolarHBondContact O-N 2.81Å; D192-Y195 PolarHBondContact OD1-N 3.16Å; D192-M196 PolarHBondContact O-N 2.85Å
193	Y	98.3	Very high	98.5	Very high	79 Å²	79	41.4 Å²	41.4	31%	0.31	20%	0.199	S	C	.	.	H	α-helix	trans	-70.5	-17.5	176.9	-64.1	-82.3	0	0	0	114.2	C191 Y195 R197 K225 I229	C191-Y193 PolarHBondContact O-N 3.03Å; Y193-Y195 VanDerWaalsContact C-N 3.33Å; Y193-R197 WeakPolarHBondContact O-CB 3.26Å; Y193-R197 VanDerWaalsContact O-CG 3.31Å; Y193-R197 WeakPolarHBondContact O-CG 3.48Å; Y193-R197 PolarHBondContact O-N 3.35Å; Y193-K225 PolarHBondContact OH-O 3Å; Y193-I229 HydrophobicContact CD1-CD1 4.39Å
194	N	98.7	Very high	98.5	Very high	93 Å²	93	44 Å²	44	50%	0.497	21%	0.208	S	C	.	.	H	α-helix	trans	-68.4	-40	173.2	-69.1	-38	0	0	0	110.1	D192 R197 H198	D192-N194 VanDerWaalsContact C-N 3.27Å; D192-N194 PolarHBondContact O-N 2.97Å; D192-N194 WeakPolarHBondContact OD1-CA 3.49Å; D192-N194 VanDerWaalsContact OD1-CB 3.28Å; D192-N194 WeakPolarHBondContact OD1-CB 3.49Å; D192-N194 PolarHBondContact OD1-N 3.4Å; N194-R197 PolarHBondContact O-N 2.79Å; N194-R197 PolarHBondContact OD1-NH2 2.89Å; N194-H198 VanDerWaalsContact O-CB 3.27Å; N194-H198 WeakPolarHBondContact O-CB 3.01Å; N194-H198 PolarHBondContact O-N 3.38Å
195	Y	98.8	Very high	98.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.1	-50.5	171.9	167.7	-119.8	0	0	0	111.8	P120 R144 Y150 I151 E182 Y185 D192 Y193 R197 H198 L199	P120-Y195 WeakPolarHBondContact CG-OH 3.36Å; R144-Y195 HydrophobicContact CB-CE1 4.14Å; Y150-Y195 HydrophobicContact CD1-CE2 4.4Å; Y150-Y195 HydrophobicContact CE1-CD2 4.38Å; Y150-Y195 AromaticContact CE1-CE2 3.66Å; Y150-Y195 HydrophobicContact CE1-CE2 3.66Å; I151-Y195 HydrophobicContact CD1-CD2 3.78Å; I151-Y195 HydrophobicContact CD1-CE2 4.45Å; E182-Y195 HydrophobicContact CG-CE1 3.61Å; E182-Y195 WeakPolarHBondContact CG-OH 3.35Å; E182-Y195 PolarHBondContact OE1-OH 3.3Å; E182-Y195 VanDerWaalsContact OE1-OH 3.12Å; Y185-Y195 HydrophobicContact CD2-CD1 4.31Å; Y185-Y195 HydrophobicContact CD2-CE1 4Å; Y185-Y195 HydrophobicContact CE1-CD1 4.26Å; Y185-Y195 AromaticContact CE2-CD1 3.65Å; Y185-Y195 HydrophobicContact CE2-CD1 3.65Å; Y185-Y195 AromaticContact CE2-CE1 3.63Å; Y185-Y195 HydrophobicContact CE2-CE1 3.63Å; Y185-Y195 AromaticContact CZ-CD1 3.6Å; D192-Y195 WeakPolarHBondContact O-CB 3.33Å; D192-Y195 PolarHBondContact O-N 2.81Å; D192-Y195 PolarHBondContact OD1-N 3.16Å; Y193-Y195 VanDerWaalsContact C-N 3.33Å; Y195-R197 PolarHBondContact O-N 2.92Å; Y195-H198 WeakPolarHBondContact O-CB 3.34Å; Y195-H198 PolarHBondContact O-N 3.46Å; Y195-H198 VanDerWaalsContact O-N 3.13Å; Y195-L199 HydrophobicContact CD2-CD1 4.35Å; Y195-L199 HydrophobicContact CD2-CG 4.14Å; Y195-L199 HydrophobicContact CE1-CD1 4.02Å; Y195-L199 HydrophobicContact CE2-CD1 3.63Å; Y195-L199 HydrophobicContact CE2-CD2 4.01Å; Y195-L199 HydrophobicContact CE2-CG 3.72Å; Y195-L199 VanDerWaalsContact CZ-CD1 3.47Å; Y195-L199 PolarHBondContact O-N 3.31Å
196	M	98.8	Very high	98.5	Very high	2 Å²	2	49 Å²	49	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-61.5	-42.7	178.4	-67.9	-59.5	-72.3	0	0	112.3	E182 Y185 D192 H198 L199 T200 T215 I229	E182-M196 HydrophobicContact CB-CE 4.05Å; E182-M196 HydrophobicContact CB-SD 3.92Å; E182-M196 HydrophobicContact CG-SD 3.88Å; Y185-M196 HydrophobicContact CD1-CG 3.48Å; Y185-M196 VanDerWaalsContact CD1-CG 3.48Å; Y185-M196 HydrophobicContact CD1-SD 3.67Å; Y185-M196 HydrophobicContact CD2-SD 4.38Å; Y185-M196 HydrophobicContact CE1-CG 3.71Å; Y185-M196 HydrophobicContact CE1-SD 4.25Å; Y185-M196 HydrophobicContact CG-CG 4.2Å; Y185-M196 HydrophobicContact CG-SD 3.74Å; D192-M196 PolarHBondContact O-N 2.85Å; M196-H198 VanDerWaalsContact C-N 3.32Å; M196-H198 PolarHBondContact O-N 2.85Å; M196-L199 PolarHBondContact O-N 2.9Å; M196-T200 PolarHBondContact O-N 3.14Å; M196-T200 PolarHBondContact O-OG1 2.86Å; M196-T215 HydrophobicContact CE-CG2 3.92Å; M196-I229 HydrophobicContact CB-CD1 3.82Å; M196-I229 HydrophobicContact CB-CG2 4.49Å
197	R	98.8	Very high	98.5	Very high	133 Å²	133	48.6 Å²	48.6	50%	0.502	24%	0.239	S	C	.	.	H	α-helix	trans	-61	-40.6	173.6	-78.2	-172.1	-75.8	-85.9	0.6	112.4	Y193 N194 Y195 T200 K201 I229	Y193-R197 WeakPolarHBondContact O-CB 3.26Å; Y193-R197 VanDerWaalsContact O-CG 3.31Å; Y193-R197 WeakPolarHBondContact O-CG 3.48Å; Y193-R197 PolarHBondContact O-N 3.35Å; N194-R197 PolarHBondContact O-N 2.79Å; N194-R197 PolarHBondContact OD1-NH2 2.89Å; Y195-R197 PolarHBondContact O-N 2.92Å; R197-T200 PolarHBondContact O-N 3.07Å; R197-K201 WeakPolarHBondContact O-CB 3.33Å; R197-K201 PolarHBondContact O-N 2.78Å; R197-I229 HydrophobicContact CB-CD1 4.42Å; R197-I229 HydrophobicContact CG-CD1 3.55Å
198	H	98.8	Very high	98.5	Very high	55 Å²	55	48.1 Å²	48.1	26%	0.255	24%	0.239	S	C	.	.	H	α-helix	trans	-61.9	-48.6	178	-179	85.1	0	0	0	110.8	I151 D155 N194 Y195 M196 T200 K201 L202	I151-H198 HydrophobicContact CD1-CB 4.5Å; I151-H198 WeakPolarHBondContact CG2-NE2 3.4Å; D155-H198 IonicContact OD1-CD2 3.39Å; D155-H198 IonicContact OD1-CE1 2.75Å; D155-H198 PolarHBondContact OD1-CE1 2.83Å; D155-H198 IonicContact OD1-NE2 3.47Å; D155-H198 PolarHBondContact OD1-NE2 2.66Å; D155-H198 IonicContact OD2-CE1 3.18Å; D155-H198 IonicContact OD2-NE2 2.68Å; D155-H198 PolarHBondContact OD2-NE2 3.15Å; N194-H198 VanDerWaalsContact O-CB 3.27Å; N194-H198 WeakPolarHBondContact O-CB 3.01Å; N194-H198 PolarHBondContact O-N 3.38Å; Y195-H198 WeakPolarHBondContact O-CB 3.34Å; Y195-H198 PolarHBondContact O-N 3.46Å; Y195-H198 VanDerWaalsContact O-N 3.13Å; M196-H198 VanDerWaalsContact C-N 3.32Å; M196-H198 PolarHBondContact O-N 2.85Å; H198-T200 PolarHBondContact O-N 3.23Å; H198-K201 PolarHBondContact O-N 3.22Å; H198-L202 WeakPolarHBondContact O-CB 3.29Å; H198-L202 PolarHBondContact O-N 2.74Å
199	L	98.9	Very high	98.4	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-59.9	-46	175.2	-69.6	-174.1	0	0	0	112.2	P120 V154 V181 E182 Y195 M196 K201 L202 F203	P120-L199 HydrophobicContact CG-CD2 4.43Å; V154-L199 HydrophobicContact CG1-CD2 3.7Å; V181-L199 HydrophobicContact CG1-CB 3.54Å; V181-L199 HydrophobicContact CG1-CD1 4.01Å; V181-L199 HydrophobicContact CG1-CG 4.44Å; E182-L199 HydrophobicContact CB-CD1 4.05Å; E182-L199 HydrophobicContact CG-CD1 3.7Å; Y195-L199 HydrophobicContact CD2-CD1 4.35Å; Y195-L199 HydrophobicContact CD2-CG 4.14Å; Y195-L199 HydrophobicContact CE1-CD1 4.02Å; Y195-L199 HydrophobicContact CE2-CD1 3.63Å; Y195-L199 HydrophobicContact CE2-CD2 4.01Å; Y195-L199 HydrophobicContact CE2-CG 3.72Å; Y195-L199 VanDerWaalsContact CZ-CD1 3.47Å; Y195-L199 PolarHBondContact O-N 3.31Å; M196-L199 PolarHBondContact O-N 2.9Å; L199-K201 VanDerWaalsContact C-N 3.31Å; L199-K201 PolarHBondContact O-N 3.28Å; L199-L202 PolarHBondContact O-N 2.97Å; L199-F203 HydrophobicContact CD2-CE2 4.48Å; L199-F203 WeakPolarHBondContact O-CB 3.15Å; L199-F203 WeakPolarHBondContact O-CD2 3.38Å; L199-F203 PolarHBondContact O-N 3.48Å
200	T	98.8	Very high	98.4	Very high	21 Å²	21	53.7 Å²	53.7	13%	0.129	27%	0.271	C	S	.	.	H	α-helix	trans	-54.8	-48.7	176.1	-60.1	0	0	0	0	111.2	M196 R197 H198 F203 R204 L232	M196-T200 PolarHBondContact O-N 3.14Å; M196-T200 PolarHBondContact O-OG1 2.86Å; R197-T200 PolarHBondContact O-N 3.07Å; H198-T200 PolarHBondContact O-N 3.23Å; T200-F203 PolarHBondContact O-N 3.38Å; T200-R204 WeakPolarHBondContact O-CB 3.46Å; T200-R204 WeakPolarHBondContact O-CG 3.33Å; T200-R204 PolarHBondContact O-N 2.76Å; T200-L232 HydrophobicContact CG2-CD2 3.83Å; T200-L232 HydrophobicContact CG2-CG 4.23Å; T200-L232 WeakPolarHBondContact OG1-CD1 3.35Å
201	K	98.7	Very high	98.4	Very high	159 Å²	159	52.2 Å²	52.2	69%	0.691	26%	0.262	S	S	*	.	H	α-helix	trans	-63.3	-43.2	178.7	-175.8	-178.7	177.6	-175.3	0	111.8	R197 H198 L199 R204 A205	R197-K201 WeakPolarHBondContact O-CB 3.33Å; R197-K201 PolarHBondContact O-N 2.78Å; H198-K201 PolarHBondContact O-N 3.22Å; L199-K201 VanDerWaalsContact C-N 3.31Å; L199-K201 PolarHBondContact O-N 3.28Å; K201-R204 PolarHBondContact O-N 2.92Å; K201-A205 VanDerWaalsContact O-CB 3.29Å; K201-A205 WeakPolarHBondContact O-CB 3.49Å; K201-A205 PolarHBondContact O-N 3.11Å
202	L	98.8	Very high	98.4	Very high	21 Å²	21	51.1 Å²	51.1	11%	0.11	25%	0.254	C	S	.	.	H	α-helix	trans	-62.1	-46.7	179.4	179.1	59.5	0	0	0	111.3	V154 D155 M158 H198 L199 A205 Q206	V154-L202 HydrophobicContact CG1-CD2 4.3Å; D155-L202 WeakPolarHBondContact OD1-CD2 3.47Å; M158-L202 HydrophobicContact CB-CD2 3.57Å; M158-L202 HydrophobicContact CB-CG 4.13Å; M158-L202 HydrophobicContact CG-CD2 4.01Å; H198-L202 WeakPolarHBondContact O-CB 3.29Å; H198-L202 PolarHBondContact O-N 2.74Å; L199-L202 PolarHBondContact O-N 2.97Å; L202-A205 PolarHBondContact O-N 2.91Å; L202-Q206 HydrophobicContact CD1-CG 4.41Å; L202-Q206 WeakPolarHBondContact O-CG 3.46Å; L202-Q206 PolarHBondContact O-N 2.96Å; L202-Q206 VanDerWaalsContact O-N 3.13Å
203	F	98.8	Very high	98.4	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64.6	-44.7	178.7	-83.7	-125.1	0	0	0	111.4	P118 M158 L162 V179 V181 L199 T200 A205 Q206 L207 L213	P118-F203 HydrophobicContact CG-CE1 3.52Å; P118-F203 HydrophobicContact CG-CZ 3.79Å; M158-F203 HydrophobicContact CE-CE2 3.99Å; M158-F203 HydrophobicContact CE-CZ 3.84Å; M158-F203 HydrophobicContact CG-CE2 4.29Å; M158-F203 HydrophobicContact SD-CE2 3.87Å; M158-F203 HydrophobicContact SD-CZ 3.93Å; L162-F203 HydrophobicContact CD1-CB 4.38Å; L162-F203 HydrophobicContact CD1-CD1 4.15Å; L162-F203 HydrophobicContact CD1-CD2 3.66Å; L162-F203 HydrophobicContact CD1-CE1 4.41Å; L162-F203 HydrophobicContact CD1-CE2 3.94Å; L162-F203 HydrophobicContact CD1-CG 3.79Å; L162-F203 HydrophobicContact CD1-CZ 4.31Å; L162-F203 HydrophobicContact CD2-CD1 4.35Å; L162-F203 HydrophobicContact CD2-CE1 4.09Å; L162-F203 HydrophobicContact CD2-CZ 4.26Å; V179-F203 HydrophobicContact CG1-CD1 4.02Å; V179-F203 HydrophobicContact CG1-CE1 3.83Å; V181-F203 HydrophobicContact CG1-CE2 4.48Å; V181-F203 HydrophobicContact CG2-CB 4.49Å; V181-F203 HydrophobicContact CG2-CD1 3.78Å; V181-F203 HydrophobicContact CG2-CE1 4.06Å; V181-F203 HydrophobicContact CG2-CG 4.09Å; L199-F203 HydrophobicContact CD2-CE2 4.48Å; L199-F203 WeakPolarHBondContact O-CB 3.15Å; L199-F203 WeakPolarHBondContact O-CD2 3.38Å; L199-F203 PolarHBondContact O-N 3.48Å; T200-F203 PolarHBondContact O-N 3.38Å; F203-A205 PolarHBondContact O-N 3.49Å; F203-Q206 PolarHBondContact O-N 3.29Å; F203-L207 HydrophobicContact CD1-CD1 4.11Å; F203-L207 VanDerWaalsContact O-CB 3.31Å; F203-L207 WeakPolarHBondContact O-CB 3.43Å; F203-L207 PolarHBondContact O-N 3.4Å; F203-L213 HydrophobicContact CB-CD1 3.73Å; F203-L213 HydrophobicContact CB-CD2 4.47Å; F203-L213 HydrophobicContact CD1-CD2 4.24Å
204	R	98.6	Very high	98.5	Very high	55 Å²	55	46.4 Å²	46.4	21%	0.208	23%	0.234	C	C	.	.	H	α-helix	trans	-59.5	-45.3	175.1	-70.2	-72.3	173.1	-145.8	3.4	112	T200 K201 Q206 G208 D209 V211 L213	T200-R204 WeakPolarHBondContact O-CB 3.46Å; T200-R204 WeakPolarHBondContact O-CG 3.33Å; T200-R204 PolarHBondContact O-N 2.76Å; K201-R204 PolarHBondContact O-N 2.92Å; R204-Q206 VanDerWaalsContact C-N 3.27Å; R204-Q206 PolarHBondContact O-N 2.96Å; R204-G208 PolarHBondContact NH1-O 2.92Å; R204-G208 WeakPolarHBondContact O-CA 3.43Å; R204-G208 PolarHBondContact O-N 3.45Å; R204-D209 WeakPolarHBondContact CD-OD1 3.29Å; R204-D209 PolarHBondContact NH1-O 3.22Å; R204-V211 PolarHBondContact NH1-O 2.87Å; R204-V211 PolarHBondContact NH2-O 2.98Å; R204-L213 HydrophobicContact CG-CD1 4.07Å
205	A	98.5	Very high	98.5	Very high	75 Å²	75	42.1 Å²	42.1	62%	0.62	21%	0.211	S	C	*	.	H	α-helix	trans	-59.8	-36.8	179	0	0	0	0	0	112.9	K201 L202 F203	K201-A205 VanDerWaalsContact O-CB 3.29Å; K201-A205 WeakPolarHBondContact O-CB 3.49Å; K201-A205 PolarHBondContact O-N 3.11Å; L202-A205 PolarHBondContact O-N 2.91Å; F203-A205 PolarHBondContact O-N 3.49Å
206	Q	98.5	Very high	98.5	Very high	59 Å²	59	42.2 Å²	42.2	28%	0.276	21%	0.211	S	C	.	.	H	α-helix	trans	-86.9	-44.8	-178.3	-59.7	-60	-13.7	0	0	112.8	L162 K166 L202 F203 R204	L162-Q206 HydrophobicContact CB-CB 3.61Å; L162-Q206 HydrophobicContact CB-CG 4.09Å; L162-Q206 HydrophobicContact CD1-CB 4.07Å; L162-Q206 HydrophobicContact CD1-CG 4.2Å; K166-Q206 WeakPolarHBondContact CD-O 3.43Å; K166-Q206 WeakPolarHBondContact CE-O 3.25Å; K166-Q206 PolarHBondContact NZ-O 2.98Å; L202-Q206 HydrophobicContact CD1-CG 4.41Å; L202-Q206 WeakPolarHBondContact O-CG 3.46Å; L202-Q206 PolarHBondContact O-N 2.96Å; L202-Q206 VanDerWaalsContact O-N 3.13Å; F203-Q206 PolarHBondContact O-N 3.29Å; R204-Q206 VanDerWaalsContact C-N 3.27Å; R204-Q206 PolarHBondContact O-N 2.96Å
207	L	98.6	Very high	98.5	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.016	21%	0.211	C	C	.	.	H	α-helix	trans	-94.3	-20.7	-169.5	-58.3	179.7	0	0	0	114.2	L162 K166 L169 V179 F203 V211 L213	L162-L207 HydrophobicContact CB-CD2 3.92Å; L162-L207 HydrophobicContact CB-CG 4.3Å; L162-L207 HydrophobicContact CD2-CD1 4.32Å; L162-L207 HydrophobicContact CD2-CD2 4.48Å; L162-L207 WeakPolarHBondContact O-CD2 3.32Å; K166-L207 HydrophobicContact CB-CD2 4.42Å; L169-L207 HydrophobicContact CD1-CB 4Å; L169-L207 HydrophobicContact CD1-CD2 4.16Å; L169-L207 WeakPolarHBondContact CD1-O 3.35Å; V179-L207 HydrophobicContact CB-CD1 4.39Å; V179-L207 HydrophobicContact CG1-CD1 4.12Å; V179-L207 HydrophobicContact CG2-CD1 4.2Å; F203-L207 HydrophobicContact CD1-CD1 4.11Å; F203-L207 VanDerWaalsContact O-CB 3.31Å; F203-L207 WeakPolarHBondContact O-CB 3.43Å; F203-L207 PolarHBondContact O-N 3.4Å; L207-V211 HydrophobicContact CB-CG1 3.79Å; L207-V211 HydrophobicContact CD1-CG1 4.41Å; L207-L213 HydrophobicContact CD1-CD2 4.27Å
208	G	97.6	Very high	98.5	Very high	16 Å²	16	36.2 Å²	36.2	17%	0.165	19%	0.191	C	C	.	.			trans	97.1	176.2	-174.1	0	0	0	0	0	113.7	R204	R204-G208 PolarHBondContact NH1-O 2.92Å; R204-G208 WeakPolarHBondContact O-CA 3.43Å; R204-G208 PolarHBondContact O-N 3.45Å
209	D	97.2	Very high	98.4	Very high	128 Å²	128	35 Å²	35	68%	0.684	19%	0.191	S	C	*	.	S	Bend	trans	-88.7	-16.9	-176.2	-69.8	-33	0	0	0	112.5	R204	R204-D209 WeakPolarHBondContact CD-OD1 3.29Å; R204-D209 PolarHBondContact NH1-O 3.22Å
210	E	96.6	Very high	98.3	Very high	128 Å²	128	36 Å²	36	60%	0.598	20%	0.201	S	C	*	.	S	Bend	trans	-77.2	-31.8	-174.5	-56.6	82.1	176.6	0	0	113	Q171 V212	Q171-E210 HydrophobicContact CG-CB 4.2Å; E210-V212 PolarHBondContact O-N 3.05Å
211	V	98	Very high	98.1	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.018	22%	0.215	C	C	.	.	S	Bend	trans	-65.7	136.6	-178.8	62.8	0	0	0	0	110.6	L169 V179 R204 L207 L213	L169-V211 HydrophobicContact CD1-CB 4.46Å; L169-V211 HydrophobicContact CD2-CB 4.48Å; L169-V211 HydrophobicContact CD2-CG2 3.94Å; V179-V211 HydrophobicContact CB-CG2 4.4Å; V179-V211 HydrophobicContact CG2-CG2 3.79Å; R204-V211 PolarHBondContact NH1-O 2.87Å; R204-V211 PolarHBondContact NH2-O 2.98Å; L207-V211 HydrophobicContact CB-CG1 3.79Å; L207-V211 HydrophobicContact CD1-CG1 4.41Å; V211-L213 HydrophobicContact CG1-CD2 3.73Å; V211-L213 HydrophobicContact CG1-CG 4.11Å; V211-L213 HydrophobicContact CG2-CD2 4.34Å; V211-L213 PolarHBondContact O-N 3.26Å
212	V	98.8	Very high	98	Very high	16 Å²	16	37.4 Å²	37.4	10%	0.097	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	109.6	171.4	177.8	0	0	0	0	108.6	F28 V30 F37 T178 V179 E210	F28-V212 HydrophobicContact CD1-CG2 3.93Å; F28-V212 HydrophobicContact CE1-CG2 4.37Å; V30-V212 HydrophobicContact CG2-CG1 4.02Å; V30-V212 HydrophobicContact CG2-CG2 4.35Å; F37-V212 HydrophobicContact CE1-CG1 4.29Å; T178-V212 WeakPolarHBondContact CA-O 3.35Å; T178-V212 HydrophobicContact CG2-CB 4.05Å; T178-V212 HydrophobicContact CG2-CG1 4.08Å; V179-V212 PolarHBondContact N-O 3.32Å; E210-V212 PolarHBondContact O-N 3.05Å
213	L	98.9	Very high	98	Very high	3 Å²	3	41.5 Å²	41.5	2%	0.016	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	139.8	171.3	-57.5	-176.4	0	0	0	109.7	V179 V181 F203 R204 L207 V211 L232 Y233	V179-L213 HydrophobicContact CB-CD2 3.77Å; V179-L213 HydrophobicContact CG1-CD2 4.29Å; V179-L213 VanDerWaalsContact O-CA 3.3Å; V179-L213 WeakPolarHBondContact O-CA 3.34Å; V181-L213 HydrophobicContact CG2-CB 4.13Å; V181-L213 HydrophobicContact CG2-CD1 4.24Å; V181-L213 HydrophobicContact CG2-CD2 4.47Å; F203-L213 HydrophobicContact CB-CD1 3.73Å; F203-L213 HydrophobicContact CB-CD2 4.47Å; F203-L213 HydrophobicContact CD1-CD2 4.24Å; R204-L213 HydrophobicContact CG-CD1 4.07Å; L207-L213 HydrophobicContact CD1-CD2 4.27Å; V211-L213 HydrophobicContact CG1-CD2 3.73Å; V211-L213 HydrophobicContact CG1-CG 4.11Å; V211-L213 HydrophobicContact CG2-CD2 4.34Å; V211-L213 PolarHBondContact O-N 3.26Å; L213-L232 HydrophobicContact CB-CD2 3.43Å; L213-L232 VanDerWaalsContact CB-CD2 3.43Å; L213-L232 HydrophobicContact CD1-CD2 3.95Å; L213-L232 HydrophobicContact CG-CD2 4.35Å; L213-Y233 PolarHBondContact O-N 2.85Å
214	F	98.9	Very high	97.9	Very high	5 Å²	5	41.7 Å²	41.7	2%	0.022	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	164	-176.3	77.8	-82.2	0	0	0	112.7	I115 V179 Q180 V181 T216 Y233 T235	I115-F214 HydrophobicContact CG2-CE1 3.73Å; I115-F214 HydrophobicContact CG2-CZ 3.57Å; V179-F214 VanDerWaalsContact C-CD1 3.45Å; V179-F214 VanDerWaalsContact C-CE1 3.48Å; V179-F214 WeakPolarHBondContact O-CD1 3.46Å; V179-F214 PolarHBondContact O-N 3.01Å; V179-F214 VanDerWaalsContact O-N 3.09Å; Q180-F214 CarbonylContact C-O 3.6Å; Q180-F214 WeakPolarHBondContact CA-O 3.3Å; Q180-F214 HydrophobicContact CB-CD1 4.23Å; Q180-F214 HydrophobicContact CB-CD2 4.45Å; Q180-F214 HydrophobicContact CB-CE1 3.67Å; Q180-F214 HydrophobicContact CB-CE2 3.94Å; Q180-F214 HydrophobicContact CB-CZ 3.52Å; Q180-F214 HydrophobicContact CG-CD2 4.12Å; Q180-F214 HydrophobicContact CG-CE1 4.36Å; Q180-F214 HydrophobicContact CG-CE2 3.76Å; Q180-F214 HydrophobicContact CG-CZ 3.89Å; V181-F214 PolarHBondContact N-O 3.4Å; F214-T216 WeakPolarHBondContact CE2-OG1 3.26Å; F214-Y233 CarbonylContact C-O 3.49Å; F214-Y233 WeakPolarHBondContact CA-O 3.2Å; F214-Y233 WeakPolarHBondContact CB-O 3.3Å; F214-T235 HydrophobicContact CB-CG2 4.23Å; F214-T235 HydrophobicContact CD2-CG2 3.67Å; F214-T235 HydrophobicContact CE2-CG2 4.43Å; F214-T235 HydrophobicContact CG-CG2 4.3Å
215	T	98.9	Very high	97.9	Very high	3 Å²	3	46 Å²	46	2%	0.018	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	157.3	168.1	62.2	0	0	0	0	110.2	M196 G227 L232 Y233 T235	M196-T215 HydrophobicContact CE-CG2 3.92Å; T215-G227 PolarHBondContact OG1-O 3.09Å; T215-L232 HydrophobicContact CG2-CB 4.11Å; T215-L232 HydrophobicContact CG2-CD1 3.6Å; T215-Y233 PolarHBondContact N-O 2.66Å; T215-T235 WeakPolarHBondContact O-CA 3.25Å; T215-T235 WeakPolarHBondContact O-CB 3.47Å; T215-T235 PolarHBondContact O-N 3.48Å; T215-T235 PolarHBondContact O-OG1 2.87Å
216	T	98.9	Very high	97.8	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131.3	174.1	-59.6	0	0	0	0	108.6	Q180 E184 F214 T235 D237 S263	Q180-T216 PolarHBondContact OE1-OG1 2.84Å; E184-T216 WeakPolarHBondContact CA-O 3.47Å; E184-T216 PolarHBondContact N-O 3.18Å; F214-T216 WeakPolarHBondContact CE2-OG1 3.26Å; T216-T235 PolarHBondContact OG1-OG1 3.24Å; T216-T235 VanDerWaalsContact OG1-OG1 3.07Å; T216-D237 HydrophobicContact CG2-CB 3.97Å; T216-D237 WeakPolarHBondContact CG2-OD2 3.47Å; T216-S263 WeakPolarHBondContact OG1-CB 3.17Å; T216-S263 PolarHBondContact OG1-OG 3.44Å
217	D	98.9	Very high	97.8	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	156.8	175	-65	-84.7	0	0	0	110.8	E184 Y185 G186 A219 L224 G227 T235 V236 D237	E184-D217 VanDerWaalsContact C-OD1 3.29Å; E184-D217 WeakPolarHBondContact CA-OD1 3.39Å; Y185-D217 PolarHBondContact N-OD1 3.11Å; G186-D217 WeakPolarHBondContact CA-OD1 3.48Å; G186-D217 PolarHBondContact N-OD1 2.81Å; D217-A219 PolarHBondContact O-N 2.91Å; D217-L224 HydrophobicContact CB-CD2 4.18Å; D217-G227 WeakPolarHBondContact OD1-CA 3.47Å; D217-G227 VanDerWaalsContact OD2-C 3.27Å; D217-G227 VanDerWaalsContact OD2-CA 3.23Å; D217-G227 WeakPolarHBondContact OD2-CA 3.29Å; D217-T235 PolarHBondContact N-O 2.91Å; D217-V236 CarbonylContact O-C 3.54Å; D217-V236 WeakPolarHBondContact O-CA 3.35Å; D217-D237 PolarHBondContact O-N 2.91Å
218	G	98.4	Very high	97.7	Very high	8 Å²	8	41.9 Å²	41.9	8%	0.082	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.3	143.2	175.9	0	0	0	0	0	113	G220 Y223 D237	G218-G220 PolarHBondContact O-N 2.88Å; G218-Y223 WeakPolarHBondContact O-CB 3.34Å; G218-Y223 WeakPolarHBondContact O-CD2 3.46Å; G218-D237 PolarHBondContact N-OD2 2.61Å
219	A	97	Very high	97.7	Very high	30 Å²	30	42.3 Å²	42.3	25%	0.248	23%	0.225	C	C	.	.	S	Bend	trans	-71.9	58.1	-171.7	0	0	0	0	0	115.7	D217 V236 D237 F238 A247	D217-A219 PolarHBondContact O-N 2.91Å; A219-V236 HydrophobicContact CB-CB 3.87Å; A219-V236 HydrophobicContact CB-CG1 4.25Å; A219-V236 HydrophobicContact CB-CG2 4.2Å; A219-D237 WeakPolarHBondContact CB-O 3.49Å; A219-D237 PolarHBondContact N-O 2.92Å; A219-D237 VanDerWaalsContact N-O 3.12Å; A219-F238 HydrophobicContact CB-CB 4.2Å; A219-F238 HydrophobicContact CB-CD1 3.79Å; A219-F238 HydrophobicContact CB-CG 4.38Å; A219-A247 HydrophobicContact CB-CB 3.59Å
220	G	96.8	Very high	97.6	Very high	21 Å²	21	45 Å²	45	22%	0.216	23%	0.234	C	C	.	.	S	Bend	trans	-148.2	144	174	0	0	0	0	0	111.1	G218 N222 Y223 L224	G218-G220 PolarHBondContact O-N 2.88Å; G220-N222 PolarHBondContact O-N 2.81Å; G220-Y223 PolarHBondContact O-N 3.26Å; G220-L224 PolarHBondContact O-N 3.27Å
221	V	95.8	Very high	97.5	Very high	68 Å²	68	41 Å²	41	41%	0.412	23%	0.228	S	C	.	.	H	α-helix	trans	-56.8	-29.6	-175.7	178.7	0	0	0	0	112.7	L224 K225 H253	V221-L224 PolarHBondContact O-N 3.29Å; V221-K225 PolarHBondContact O-N 3.08Å; V221-H253 HydrophobicContact CG2-CB 4.31Å
222	N	96.6	Very high	97.5	Very high	141 Å²	141	41.1 Å²	41.1	75%	0.754	23%	0.228	S	C	*	.	H	α-helix	trans	-65.3	-37.3	177.4	-71	-19.8	0	0	0	113.4	G220 K225	G220-N222 PolarHBondContact O-N 2.81Å; N222-K225 WeakPolarHBondContact O-CB 3.43Å
223	Y	97.5	Very high	97.5	Very high	108 Å²	108	40.6 Å²	40.6	42%	0.424	22%	0.224	S	C	.	.	H	α-helix	trans	-72.6	-49.8	175.4	-59.8	-67.7	0	0	0	109.6	G186 S187 G218 G220 K225 C226 G227	G186-Y223 WeakPolarHBondContact CA-O 3.32Å; S187-Y223 WeakPolarHBondContact OG-CD1 3.41Å; G218-Y223 WeakPolarHBondContact O-CB 3.34Å; G218-Y223 WeakPolarHBondContact O-CD2 3.46Å; G220-Y223 PolarHBondContact O-N 3.26Å; Y223-K225 PolarHBondContact O-N 3.14Å; Y223-C226 PolarHBondContact O-N 2.99Å; Y223-G227 PolarHBondContact O-N 2.58Å; Y223-G227 VanDerWaalsContact O-N 3.12Å
224	L	97.8	Very high	97.5	Very high	4 Å²	4	40.5 Å²	40.5	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-57	-29.7	179.4	-69.3	168.6	0	0	0	113.3	D217 G220 V221 C226 G227 S228 V236 A250 A254	D217-L224 HydrophobicContact CB-CD2 4.18Å; G220-L224 PolarHBondContact O-N 3.27Å; V221-L224 PolarHBondContact O-N 3.29Å; L224-C226 VanDerWaalsContact C-N 3.32Å; L224-C226 PolarHBondContact O-N 3.32Å; L224-G227 PolarHBondContact O-N 2.77Å; L224-S228 WeakPolarHBondContact O-CB 3.36Å; L224-S228 PolarHBondContact O-N 2.89Å; L224-S228 PolarHBondContact O-OG 2.78Å; L224-V236 HydrophobicContact CD1-CG1 4.2Å; L224-V236 HydrophobicContact CD2-CG1 4.19Å; L224-A250 HydrophobicContact CD1-CB 4.15Å; L224-A250 WeakPolarHBondContact CD1-O 3.44Å; L224-A254 HydrophobicContact CD1-CB 4.3Å; L224-A254 HydrophobicContact CD2-CB 4.43Å
225	K	96.9	Very high	97.5	Very high	144 Å²	144	40.3 Å²	40.3	63%	0.626	22%	0.223	S	C	*	.	H	α-helix	trans	-47.6	-55.2	175.7	-178.1	-177.1	176.6	-176.1	0	111.2	Y193 V221 N222 Y223	Y193-K225 PolarHBondContact OH-O 3Å; V221-K225 PolarHBondContact O-N 3.08Å; N222-K225 WeakPolarHBondContact O-CB 3.43Å; Y223-K225 PolarHBondContact O-N 3.14Å
226	C	97.6	Very high	97.5	Very high	18 Å²	18	40.2 Å²	40.2	12%	0.122	22%	0.222	C	C	.	.	H	α-helix	trans	-93.9	-18.3	-176	-68.1	0	0	0	0	113.4	Y185 C191 Y223 L224	Y185-C226 WeakPolarHBondContact CD1-O 3.39Å; C191-C226 HydrophobicContact CB-CB 3.81Å; C191-C226 WeakPolarHBondContact CB-SG 3.44Å; C191-C226 WeakPolarHBondContact SG-CB 3.32Å; C191-C226 CovalentContact SG-SG 2.04Å; C191-C226 PolarHBondContact SG-SG 2.79Å; Y223-C226 PolarHBondContact O-N 2.99Å; L224-C226 VanDerWaalsContact C-N 3.32Å; L224-C226 PolarHBondContact O-N 3.32Å
227	G	97.3	Very high	97.5	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-91.9	-26.7	-176.4	0	0	0	0	0	115.8	T215 D217 Y223 L224	T215-G227 PolarHBondContact OG1-O 3.09Å; D217-G227 WeakPolarHBondContact OD1-CA 3.47Å; D217-G227 VanDerWaalsContact OD2-C 3.27Å; D217-G227 VanDerWaalsContact OD2-CA 3.23Å; D217-G227 WeakPolarHBondContact OD2-CA 3.29Å; Y223-G227 PolarHBondContact O-N 2.58Å; Y223-G227 VanDerWaalsContact O-N 3.12Å; L224-G227 PolarHBondContact O-N 2.77Å
228	S	97	Very high	97.5	Very high	32 Å²	32	41.1 Å²	41.1	22%	0.224	23%	0.227	C	C	.	.			trans	-87.7	148.2	177.8	68.2	0	0	0	0	112.6	L224	L224-S228 WeakPolarHBondContact O-CB 3.36Å; L224-S228 PolarHBondContact O-N 2.89Å; L224-S228 PolarHBondContact O-OG 2.78Å
229	I	97.7	Very high	97.5	Very high	25 Å²	25	41.5 Å²	41.5	13%	0.128	23%	0.231	C	C	.	.			trans	-151.9	143.8	176.4	-168.5	167.3	0	0	0	111.5	Y193 M196 R197 G231 L232	Y193-I229 HydrophobicContact CD1-CD1 4.39Å; M196-I229 HydrophobicContact CB-CD1 3.82Å; M196-I229 HydrophobicContact CB-CG2 4.49Å; R197-I229 HydrophobicContact CB-CD1 4.42Å; R197-I229 HydrophobicContact CG-CD1 3.55Å; I229-G231 PolarHBondContact O-N 3.16Å; I229-L232 HydrophobicContact CG2-CB 4.16Å; I229-L232 HydrophobicContact CG2-CD1 3.58Å; I229-L232 HydrophobicContact CG2-CG 3.8Å; I229-L232 PolarHBondContact O-N 3.03Å
230	Q	95.8	Very high	97.3	Very high	185 Å²	185	40.7 Å²	40.7	86%	0.864	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.5	132.7	176.2	-175.5	64.8	49.4	0	0	111.9
231	G	94.3	Very high	96.9	Very high	45 Å²	45	45.1 Å²	45.1	46%	0.464	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.2	-6.2	176.9	0	0	0	0	0	114.9	I229	I229-G231 PolarHBondContact O-N 3.16Å
232	L	98.6	Very high	96.9	Very high	4 Å²	4	43.8 Å²	43.8	2%	0.021	25%	0.246	C	C	.	.	S	Bend	trans	-115.3	134.3	167.5	-55.6	-172.4	0	0	0	108.7	V181 T200 L213 T215 I229 A234	V181-L232 HydrophobicContact CB-CD1 3.71Å; V181-L232 HydrophobicContact CG1-CD1 4.04Å; V181-L232 HydrophobicContact CG2-CD1 3.91Å; V181-L232 HydrophobicContact CG2-CD2 3.93Å; T200-L232 HydrophobicContact CG2-CD2 3.83Å; T200-L232 HydrophobicContact CG2-CG 4.23Å; T200-L232 WeakPolarHBondContact OG1-CD1 3.35Å; L213-L232 HydrophobicContact CB-CD2 3.43Å; L213-L232 VanDerWaalsContact CB-CD2 3.43Å; L213-L232 HydrophobicContact CD1-CD2 3.95Å; L213-L232 HydrophobicContact CG-CD2 4.35Å; T215-L232 HydrophobicContact CG2-CB 4.11Å; T215-L232 HydrophobicContact CG2-CD1 3.6Å; I229-L232 HydrophobicContact CG2-CB 4.16Å; I229-L232 HydrophobicContact CG2-CD1 3.58Å; I229-L232 HydrophobicContact CG2-CG 3.8Å; I229-L232 PolarHBondContact O-N 3.03Å; L232-A234 PolarHBondContact O-N 3.46Å
233	Y	98.8	Very high	96.9	Very high	5 Å²	5	42.1 Å²	42.1	2%	0.02	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	122.5	178.4	-165.1	-109.8	0	0	0	110.7	V30 Y32 L213 F214 T215 T235 E255 Y257 G258 P259 V261	V30-Y233 HydrophobicContact CG1-CE2 4.25Å; V30-Y233 HydrophobicContact CG2-CD2 4.41Å; V30-Y233 HydrophobicContact CG2-CG 4.46Å; Y32-Y233 HydrophobicContact CE1-CD2 4.08Å; Y32-Y233 AromaticContact CE1-CE2 3.85Å; Y32-Y233 HydrophobicContact CE1-CE2 3.85Å; L213-Y233 PolarHBondContact O-N 2.85Å; F214-Y233 CarbonylContact C-O 3.49Å; F214-Y233 WeakPolarHBondContact CA-O 3.2Å; F214-Y233 WeakPolarHBondContact CB-O 3.3Å; T215-Y233 PolarHBondContact N-O 2.66Å; Y233-T235 HydrophobicContact CD1-CG2 4.04Å; Y233-E255 WeakPolarHBondContact CA-OE1 3.27Å; Y233-E255 VanDerWaalsContact CD2-CD 3.44Å; Y233-E255 HydrophobicContact CD2-CG 3.93Å; Y233-E255 HydrophobicContact CE2-CB 3.9Å; Y233-E255 VanDerWaalsContact CE2-CD 3.48Å; Y233-E255 HydrophobicContact CE2-CG 3.65Å; Y233-E255 WeakPolarHBondContact CE2-OE2 3.32Å; Y233-E255 HydrophobicContact CG-CG 4.5Å; Y233-Y257 PolarHBondContact OH-O 2.98Å; Y233-G258 WeakPolarHBondContact OH-CA 3.34Å; Y233-G258 PolarHBondContact OH-O 3.04Å; Y233-P259 HydrophobicContact CE1-CG 3.92Å; Y233-P259 WeakPolarHBondContact CE1-O 3.35Å; Y233-P259 WeakPolarHBondContact OH-CD 3.38Å; Y233-P259 VanDerWaalsContact OH-N 3.13Å; Y233-P259 PolarHBondContact OH-O 3.37Å; Y233-V261 HydrophobicContact CE1-CG2 4.27Å
234	A	98.8	Very high	96.9	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.008	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	122.8	179.6	0	0	0	0	0	111.9	L232 Q251 A254 E255	L232-A234 PolarHBondContact O-N 3.46Å; A234-Q251 WeakPolarHBondContact O-CG 3.48Å; A234-Q251 PolarHBondContact O-NE2 3.13Å; A234-A254 HydrophobicContact CB-CB 3.82Å; A234-E255 HydrophobicContact CB-CG 3.8Å; A234-E255 PolarHBondContact N-OE1 3.46Å; A234-E255 WeakPolarHBondContact O-CG 3.3Å
235	T	98.9	Very high	97	Very high	2 Å²	2	42 Å²	42	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	167.3	173.1	75.2	0	0	0	0	110.1	F214 T215 T216 D217 Y233 V261 S263	F214-T235 HydrophobicContact CB-CG2 4.23Å; F214-T235 HydrophobicContact CD2-CG2 3.67Å; F214-T235 HydrophobicContact CE2-CG2 4.43Å; F214-T235 HydrophobicContact CG-CG2 4.3Å; T215-T235 WeakPolarHBondContact O-CA 3.25Å; T215-T235 WeakPolarHBondContact O-CB 3.47Å; T215-T235 PolarHBondContact O-N 3.48Å; T215-T235 PolarHBondContact O-OG1 2.87Å; T216-T235 PolarHBondContact OG1-OG1 3.24Å; T216-T235 VanDerWaalsContact OG1-OG1 3.07Å; D217-T235 PolarHBondContact N-O 2.91Å; Y233-T235 HydrophobicContact CD1-CG2 4.04Å; T235-V261 HydrophobicContact CG2-CB 3.7Å; T235-V261 HydrophobicContact CG2-CG1 3.65Å; T235-V261 HydrophobicContact CG2-CG2 4.11Å; T235-S263 WeakPolarHBondContact CB-OG 3.4Å; T235-S263 PolarHBondContact OG1-OG 3.17Å
236	V	98.9	Very high	97	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	161	178	-66.5	0	0	0	0	111.9	D217 A219 L224 F238 F248 Q251 V261 N262 S263	D217-V236 CarbonylContact O-C 3.54Å; D217-V236 WeakPolarHBondContact O-CA 3.35Å; A219-V236 HydrophobicContact CB-CB 3.87Å; A219-V236 HydrophobicContact CB-CG1 4.25Å; A219-V236 HydrophobicContact CB-CG2 4.2Å; L224-V236 HydrophobicContact CD1-CG1 4.2Å; L224-V236 HydrophobicContact CD2-CG1 4.19Å; V236-F238 HydrophobicContact CG2-CD1 4.04Å; V236-F238 HydrophobicContact CG2-CE1 3.85Å; V236-F248 HydrophobicContact CG2-CD1 4.35Å; V236-F248 HydrophobicContact CG2-CE1 4.47Å; V236-Q251 HydrophobicContact CG1-CB 3.79Å; V236-Q251 HydrophobicContact CG1-CG 4.2Å; V236-Q251 HydrophobicContact CG2-CB 4.01Å; V236-Q251 HydrophobicContact CG2-CG 4.42Å; V236-V261 PolarHBondContact N-O 2.8Å; V236-N262 CarbonylContact O-C 3.56Å; V236-N262 VanDerWaalsContact O-CA 3.27Å; V236-N262 WeakPolarHBondContact O-CA 3.46Å; V236-S263 PolarHBondContact O-N 2.87Å
237	D	98.8	Very high	97.1	Very high	10 Å²	10	37 Å²	37	5%	0.053	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	150	164.9	62.3	72.7	0	0	0	112.2	T216 D217 G218 A219 N262 E264 Y266	T216-D237 HydrophobicContact CG2-CB 3.97Å; T216-D237 WeakPolarHBondContact CG2-OD2 3.47Å; D217-D237 PolarHBondContact O-N 2.91Å; G218-D237 PolarHBondContact N-OD2 2.61Å; A219-D237 WeakPolarHBondContact CB-O 3.49Å; A219-D237 PolarHBondContact N-O 2.92Å; A219-D237 VanDerWaalsContact N-O 3.12Å; D237-N262 WeakPolarHBondContact CA-OD1 3.33Å; D237-E264 HydrophobicContact CB-CB 3.71Å; D237-E264 HydrophobicContact CB-CG 4.39Å; D237-Y266 PolarHBondContact OD1-OH 3.48Å
238	F	98.8	Very high	97.1	Very high	12 Å²	12	37.5 Å²	37.5	5%	0.053	24%	0.237	C	C	.	.			trans	-171.7	151.3	173.7	54.7	-89.4	0	0	0	112.3	A219 V236 A242 I244 A247 F248 N262 E264 M292	A219-F238 HydrophobicContact CB-CB 4.2Å; A219-F238 HydrophobicContact CB-CD1 3.79Å; A219-F238 HydrophobicContact CB-CG 4.38Å; V236-F238 HydrophobicContact CG2-CD1 4.04Å; V236-F238 HydrophobicContact CG2-CE1 3.85Å; F238-A242 HydrophobicContact CB-CB 3.8Å; F238-A242 HydrophobicContact CD2-CB 3.82Å; F238-A242 HydrophobicContact CG-CB 4.14Å; F238-I244 HydrophobicContact CE2-CG1 3.94Å; F238-A247 HydrophobicContact CD1-CB 3.5Å; F238-A247 VanDerWaalsContact CD1-CB 3.5Å; F238-A247 HydrophobicContact CD2-CB 4.3Å; F238-A247 HydrophobicContact CE1-CB 3.52Å; F238-A247 HydrophobicContact CE2-CB 4.34Å; F238-A247 HydrophobicContact CG-CB 3.89Å; F238-A247 HydrophobicContact CZ-CB 3.95Å; F238-F248 HydrophobicContact CE1-CD1 4.33Å; F238-F248 AromaticContact CE1-CE1 3.95Å; F238-F248 HydrophobicContact CE1-CE1 3.95Å; F238-F248 HydrophobicContact CE1-CZ 4.15Å; F238-F248 HydrophobicContact CZ-CE1 4.02Å; F238-F248 HydrophobicContact CZ-CE2 4.03Å; F238-F248 AromaticContact CZ-CZ 3.73Å; F238-F248 HydrophobicContact CZ-CZ 3.73Å; F238-N262 HydrophobicContact CD1-CB 4.5Å; F238-N262 WeakPolarHBondContact CD2-ND2 3.35Å; F238-N262 HydrophobicContact CE1-CB 3.87Å; F238-N262 WeakPolarHBondContact CE1-ND2 3.31Å; F238-N262 WeakPolarHBondContact CE2-ND2 3.35Å; F238-N262 HydrophobicContact CZ-CB 3.96Å; F238-N262 VanDerWaalsContact CZ-ND2 3.33Å; F238-N262 WeakPolarHBondContact CZ-ND2 3.17Å; F238-N262 PolarHBondContact N-OD1 2.93Å; F238-N262 PolarHBondContact O-ND2 3.13Å; F238-E264 PolarHBondContact N-O 2.81Å; F238-M292 HydrophobicContact CE2-SD 3.69Å; F238-M292 HydrophobicContact CZ-SD 3.77Å
239	G	97.3	Very high	97.2	Very high	16 Å²	16	38.8 Å²	38.8	17%	0.165	25%	0.249	C	C	.	.			trans	-86.7	178.5	179.1	0	0	0	0	0	114.9	S241 A242 Y266	G239-S241 VanDerWaalsContact C-N 3.25Å; G239-S241 PolarHBondContact O-N 2.53Å; G239-A242 VanDerWaalsContact O-CB 3.3Å; G239-A242 WeakPolarHBondContact O-CB 3.41Å; G239-A242 PolarHBondContact O-N 3.04Å; G239-A242 VanDerWaalsContact O-N 3.1Å; G239-Y266 VanDerWaalsContact CA-CD2 3.46Å; G239-Y266 VanDerWaalsContact N-CD2 3.27Å
240	P	92.9	Very high	97.2	Very high	13 Å²	13	38 Å²	38	8%	0.084	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-11.7	-170.3	29.9	-37.7	0	0	0	114.9	F265 Y266 V280 V284 V285 S288	P240-F265 HydrophobicContact CB-CE2 3.62Å; P240-F265 HydrophobicContact CB-CZ 3.82Å; P240-F265 HydrophobicContact CG-CE2 4.4Å; P240-Y266 WeakPolarHBondContact CD-O 3.41Å; P240-V280 HydrophobicContact CG-CG1 3.78Å; P240-V284 HydrophobicContact CB-CG1 3.73Å; P240-V284 HydrophobicContact CG-CG1 4.02Å; P240-V285 HydrophobicContact CG-CG2 4.34Å; P240-S288 PolarHBondContact O-OG 3.47Å
241	S	89.8	Confident	97.4	Very high	114 Å²	114	29.2 Å²	29.2	80%	0.797	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-2.7	173.5	-56.7	0	0	0	0	113.4	G239	G239-S241 VanDerWaalsContact C-N 3.25Å; G239-S241 PolarHBondContact O-N 2.53Å
242	A	94.7	Very high	97.6	Very high	39 Å²	39	30.1 Å²	30.1	32%	0.322	20%	0.195	S	C	.	.	S	Bend	trans	-74.3	155	-179.4	0	0	0	0	0	112.3	F238 G239 I244	F238-A242 HydrophobicContact CB-CB 3.8Å; F238-A242 HydrophobicContact CD2-CB 3.82Å; F238-A242 HydrophobicContact CG-CB 4.14Å; G239-A242 VanDerWaalsContact O-CB 3.3Å; G239-A242 WeakPolarHBondContact O-CB 3.41Å; G239-A242 PolarHBondContact O-N 3.04Å; G239-A242 VanDerWaalsContact O-N 3.1Å; A242-I244 PolarHBondContact O-N 2.79Å
243	N	97.6	Very high	97.5	Very high	107 Å²	107	36.2 Å²	36.2	57%	0.572	22%	0.223	S	C	*	.			trans	-77.4	102.4	168.2	-178	-25.6	0	0	0	109.3	T245 A246 A247	N243-T245 VanDerWaalsContact C-N 3.31Å; N243-T245 PolarHBondContact O-N 2.95Å; N243-T245 PolarHBondContact OD1-N 2.77Å; N243-A246 HydrophobicContact CB-CB 4.01Å; N243-A246 PolarHBondContact O-N 2.87Å; N243-A246 VanDerWaalsContact O-N 3.15Å; N243-A246 PolarHBondContact OD1-N 3.38Å; N243-A247 WeakPolarHBondContact O-CB 3.39Å; N243-A247 PolarHBondContact O-N 3.34Å
244	I	97.8	Very high	97.4	Very high	10 Å²	10	37.5 Å²	37.5	5%	0.051	23%	0.234	C	C	.	.	H	α-helix	trans	-56.8	-42	-175.3	-67.3	168.3	0	0	0	112.2	F238 A242 A247 F248 H291 M292	F238-I244 HydrophobicContact CE2-CG1 3.94Å; A242-I244 PolarHBondContact O-N 2.79Å; I244-A247 PolarHBondContact O-N 2.9Å; I244-F248 HydrophobicContact CG2-CD2 3.6Å; I244-F248 HydrophobicContact CG2-CE2 3.57Å; I244-F248 WeakPolarHBondContact O-CD2 3.44Å; I244-F248 PolarHBondContact O-N 2.69Å; I244-H291 HydrophobicContact CD1-CB 3.73Å; I244-H291 WeakPolarHBondContact CD1-ND1 3.3Å; I244-M292 HydrophobicContact CD1-CG 4.01Å; I244-M292 HydrophobicContact CG1-CG 4.38Å; I244-M292 HydrophobicContact CG2-CG 4.16Å
245	T	98	Very high	97.4	Very high	98 Å²	98	38.8 Å²	38.8	60%	0.601	24%	0.24	S	C	*	.	H	α-helix	trans	-63.9	-44.4	178.8	-53.8	0	0	0	0	111.3	N243 A249	N243-T245 VanDerWaalsContact C-N 3.31Å; N243-T245 PolarHBondContact O-N 2.95Å; N243-T245 PolarHBondContact OD1-N 2.77Å; T245-A249 VanDerWaalsContact O-CB 3.27Å; T245-A249 WeakPolarHBondContact O-CB 3.46Å; T245-A249 PolarHBondContact O-N 3.1Å
246	A	98.2	Very high	97.3	Very high	53 Å²	53	42.6 Å²	42.6	44%	0.438	27%	0.265	S	S	.	.	H	α-helix	trans	-67.2	-39.2	177.7	0	0	0	0	0	111.9	N243 A249 A250	N243-A246 HydrophobicContact CB-CB 4.01Å; N243-A246 PolarHBondContact O-N 2.87Å; N243-A246 VanDerWaalsContact O-N 3.15Å; N243-A246 PolarHBondContact OD1-N 3.38Å; A246-A249 WeakPolarHBondContact O-CB 3.42Å; A246-A249 PolarHBondContact O-N 2.93Å; A246-A250 PolarHBondContact O-N 3.14Å
247	A	98.4	Very high	97.3	Very high	5 Å²	5	49.6 Å²	49.6	4%	0.041	29%	0.293	C	S	.	.	H	α-helix	trans	-62.2	-47.9	178.1	0	0	0	0	0	111.8	A219 F238 N243 I244 A250 Q251	A219-A247 HydrophobicContact CB-CB 3.59Å; F238-A247 HydrophobicContact CD1-CB 3.5Å; F238-A247 VanDerWaalsContact CD1-CB 3.5Å; F238-A247 HydrophobicContact CD2-CB 4.3Å; F238-A247 HydrophobicContact CE1-CB 3.52Å; F238-A247 HydrophobicContact CE2-CB 4.34Å; F238-A247 HydrophobicContact CG-CB 3.89Å; F238-A247 HydrophobicContact CZ-CB 3.95Å; N243-A247 WeakPolarHBondContact O-CB 3.39Å; N243-A247 PolarHBondContact O-N 3.34Å; I244-A247 PolarHBondContact O-N 2.9Å; A247-A250 WeakPolarHBondContact O-CB 3.45Å; A247-A250 PolarHBondContact O-N 3.43Å; A247-Q251 PolarHBondContact O-N 3.11Å; A247-Q251 VanDerWaalsContact O-N 3.17Å
248	F	98.7	Very high	97.3	Very high	11 Å²	11	49.1 Å²	49.1	5%	0.048	29%	0.29	C	S	.	.	H	α-helix	trans	-72.9	-25.6	175.7	-72.8	-44.7	0	0	0	113.5	V236 F238 I244 A250 Q251 R252 L260 N262 M292 V295 A297	V236-F248 HydrophobicContact CG2-CD1 4.35Å; V236-F248 HydrophobicContact CG2-CE1 4.47Å; F238-F248 HydrophobicContact CE1-CD1 4.33Å; F238-F248 AromaticContact CE1-CE1 3.95Å; F238-F248 HydrophobicContact CE1-CE1 3.95Å; F238-F248 HydrophobicContact CE1-CZ 4.15Å; F238-F248 HydrophobicContact CZ-CE1 4.02Å; F238-F248 HydrophobicContact CZ-CE2 4.03Å; F238-F248 AromaticContact CZ-CZ 3.73Å; F238-F248 HydrophobicContact CZ-CZ 3.73Å; I244-F248 HydrophobicContact CG2-CD2 3.6Å; I244-F248 HydrophobicContact CG2-CE2 3.57Å; I244-F248 WeakPolarHBondContact O-CD2 3.44Å; I244-F248 PolarHBondContact O-N 2.69Å; F248-A250 VanDerWaalsContact C-N 3.29Å; F248-A250 PolarHBondContact O-N 2.88Å; F248-Q251 PolarHBondContact O-N 3.13Å; F248-R252 WeakPolarHBondContact O-CB 3.47Å; F248-R252 WeakPolarHBondContact O-CG 3.38Å; F248-R252 PolarHBondContact O-N 3.26Å; F248-L260 HydrophobicContact CB-CD1 4.16Å; F248-L260 HydrophobicContact CB-CD2 3.81Å; F248-L260 HydrophobicContact CD1-CB 3.97Å; F248-L260 HydrophobicContact CD1-CD1 4.39Å; F248-L260 HydrophobicContact CD1-CD2 3.84Å; F248-L260 HydrophobicContact CD1-CG 4.28Å; F248-L260 HydrophobicContact CD2-CD1 3.98Å; F248-L260 HydrophobicContact CE1-CB 3.95Å; F248-L260 HydrophobicContact CE2-CD1 4.47Å; F248-L260 HydrophobicContact CG-CB 4.36Å; F248-L260 HydrophobicContact CG-CD1 3.94Å; F248-L260 HydrophobicContact CG-CD2 3.91Å; F248-L260 HydrophobicContact CG-CG 4.29Å; F248-L260 HydrophobicContact CZ-CB 4.29Å; F248-N262 HydrophobicContact CE1-CB 4.43Å; F248-N262 HydrophobicContact CZ-CB 4.37Å; F248-M292 HydrophobicContact CE2-CG 4.14Å; F248-M292 HydrophobicContact CZ-CG 4.34Å; F248-M292 HydrophobicContact CZ-SD 4.34Å; F248-V295 HydrophobicContact CD2-CG2 4.45Å; F248-V295 HydrophobicContact CE2-CG2 4.17Å; F248-A297 HydrophobicContact CE1-CB 4.24Å; F248-A297 HydrophobicContact CE2-CB 3.72Å; F248-A297 HydrophobicContact CZ-CB 3.41Å; F248-A297 VanDerWaalsContact CZ-CB 3.41Å
249	A	98.6	Very high	97.3	Very high	59 Å²	59	48.6 Å²	48.6	49%	0.488	29%	0.288	S	S	.	.	H	α-helix	trans	-63.9	-36	168.5	0	0	0	0	0	111.7	T245 A246 R252 H253	T245-A249 VanDerWaalsContact O-CB 3.27Å; T245-A249 WeakPolarHBondContact O-CB 3.46Å; T245-A249 PolarHBondContact O-N 3.1Å; A246-A249 WeakPolarHBondContact O-CB 3.42Å; A246-A249 PolarHBondContact O-N 2.93Å; A249-R252 PolarHBondContact O-N 3.13Å; A249-H253 PolarHBondContact O-N 3.13Å; A249-H253 VanDerWaalsContact O-N 3.08Å
250	A	98.4	Very high	97.4	Very high	9 Å²	9	49.1 Å²	49.1	7%	0.074	29%	0.287	C	S	.	.	H	α-helix	trans	-65	-44.3	172.2	0	0	0	0	0	111.3	L224 A246 A247 F248 R252 H253	L224-A250 HydrophobicContact CD1-CB 4.15Å; L224-A250 WeakPolarHBondContact CD1-O 3.44Å; A246-A250 PolarHBondContact O-N 3.14Å; A247-A250 WeakPolarHBondContact O-CB 3.45Å; A247-A250 PolarHBondContact O-N 3.43Å; F248-A250 VanDerWaalsContact C-N 3.29Å; F248-A250 PolarHBondContact O-N 2.88Å; A250-R252 VanDerWaalsContact C-N 3.33Å; A250-R252 PolarHBondContact O-N 3.35Å; A250-H253 VanDerWaalsContact O-CB 3.28Å; A250-H253 WeakPolarHBondContact O-CB 3.38Å; A250-H253 PolarHBondContact O-N 3.48Å; A250-H253 VanDerWaalsContact O-N 3.14Å
251	Q	98.7	Very high	97.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-57.9	-46.5	173.2	-166	-167	-7.7	0	0	111.1	A234 V236 A247 F248 H253 A254 E255 P259 V261	A234-Q251 WeakPolarHBondContact O-CG 3.48Å; A234-Q251 PolarHBondContact O-NE2 3.13Å; V236-Q251 HydrophobicContact CG1-CB 3.79Å; V236-Q251 HydrophobicContact CG1-CG 4.2Å; V236-Q251 HydrophobicContact CG2-CB 4.01Å; V236-Q251 HydrophobicContact CG2-CG 4.42Å; A247-Q251 PolarHBondContact O-N 3.11Å; A247-Q251 VanDerWaalsContact O-N 3.17Å; F248-Q251 PolarHBondContact O-N 3.13Å; Q251-H253 PolarHBondContact O-N 2.68Å; Q251-H253 VanDerWaalsContact O-N 3.17Å; Q251-A254 PolarHBondContact O-N 3.18Å; Q251-E255 PolarHBondContact O-N 2.89Å; Q251-P259 PolarHBondContact NE2-O 3.21Å; Q251-P259 VanDerWaalsContact NE2-O 3.12Å; Q251-V261 PolarHBondContact OE1-O 3.14Å
252	R	98.4	Very high	98.1	Very high	65 Å²	65	43.1 Å²	43.1	25%	0.245	25%	0.245	C	C	.	.	H	α-helix	trans	-61.8	-22.2	178.3	-75.6	-75	177.4	-104.1	4.6	114.2	F248 A249 A250 E255 P256 G258 L260	F248-R252 WeakPolarHBondContact O-CB 3.47Å; F248-R252 WeakPolarHBondContact O-CG 3.38Å; F248-R252 PolarHBondContact O-N 3.26Å; A249-R252 PolarHBondContact O-N 3.13Å; A250-R252 VanDerWaalsContact C-N 3.33Å; A250-R252 PolarHBondContact O-N 3.35Å; R252-E255 WeakPolarHBondContact CA-O 3.31Å; R252-E255 PolarHBondContact NH1-O 2.67Å; R252-E255 CarbonylContact O-C 3.48Å; R252-P256 WeakPolarHBondContact CD-O 3.48Å; R252-P256 WeakPolarHBondContact O-CA 3.45Å; R252-G258 VanDerWaalsContact CZ-O 3.27Å; R252-G258 PolarHBondContact NH1-O 3.36Å; R252-G258 PolarHBondContact NH2-O 3.27Å; R252-L260 HydrophobicContact CG-CD2 4.2Å
253	H	97.5	Very high	98.3	Very high	132 Å²	132	41.2 Å²	41.2	61%	0.611	23%	0.229	S	C	*	.	H	α-helix	trans	-68.4	-37.8	172.1	-174.9	74.2	0	0	0	112	V221 A249 A250 Q251	V221-H253 HydrophobicContact CG2-CB 4.31Å; A249-H253 PolarHBondContact O-N 3.13Å; A249-H253 VanDerWaalsContact O-N 3.08Å; A250-H253 VanDerWaalsContact O-CB 3.28Å; A250-H253 WeakPolarHBondContact O-CB 3.38Å; A250-H253 PolarHBondContact O-N 3.48Å; A250-H253 VanDerWaalsContact O-N 3.14Å; Q251-H253 PolarHBondContact O-N 2.68Å; Q251-H253 VanDerWaalsContact O-N 3.17Å
254	A	97.1	Very high	98.4	Very high	31 Å²	31	36.6 Å²	36.6	26%	0.256	20%	0.204	S	C	.	.	H	α-helix	trans	-85.2	-37.1	176.6	0	0	0	0	0	112.4	L224 A234 Q251	L224-A254 HydrophobicContact CD1-CB 4.3Å; L224-A254 HydrophobicContact CD2-CB 4.43Å; A234-A254 HydrophobicContact CB-CB 3.82Å; Q251-A254 PolarHBondContact O-N 3.18Å
255	E	97.9	Very high	98.4	Very high	29 Å²	29	36.1 Å²	36.1	14%	0.136	20%	0.202	C	C	.	.			trans	-126.6	84.2	-179	-67.4	-67.3	173.2	0	0	110.4	Y233 A234 Q251 R252 Y257	Y233-E255 WeakPolarHBondContact CA-OE1 3.27Å; Y233-E255 VanDerWaalsContact CD2-CD 3.44Å; Y233-E255 HydrophobicContact CD2-CG 3.93Å; Y233-E255 HydrophobicContact CE2-CB 3.9Å; Y233-E255 VanDerWaalsContact CE2-CD 3.48Å; Y233-E255 HydrophobicContact CE2-CG 3.65Å; Y233-E255 WeakPolarHBondContact CE2-OE2 3.32Å; Y233-E255 HydrophobicContact CG-CG 4.5Å; A234-E255 HydrophobicContact CB-CG 3.8Å; A234-E255 PolarHBondContact N-OE1 3.46Å; A234-E255 WeakPolarHBondContact O-CG 3.3Å; Q251-E255 PolarHBondContact O-N 2.89Å; R252-E255 WeakPolarHBondContact CA-O 3.31Å; R252-E255 PolarHBondContact NH1-O 2.67Å; R252-E255 CarbonylContact O-C 3.48Å; E255-Y257 PolarHBondContact O-N 3.03Å
256	P	97.9	Very high	98.4	Very high	81 Å²	81	32.8 Å²	32.8	53%	0.526	18%	0.178	S	C	.	.	S	Bend	trans	-56.5	-25.8	-178.4	-27.3	35.7	0	0	0	113.9	R252	R252-P256 WeakPolarHBondContact CD-O 3.48Å; R252-P256 WeakPolarHBondContact O-CA 3.45Å
257	Y	98.3	Very high	98.5	Very high	148 Å²	148	30.2 Å²	30.2	58%	0.58	16%	0.157	S	C	*	.	S	Bend	trans	-131.5	164.1	-178.1	-63.5	-71.5	0	0	0	111	Y32 N35 Y233 E255	Y32-Y257 WeakPolarHBondContact O-CB 3.26Å; N35-Y257 WeakPolarHBondContact OD1-CA 3.44Å; Y233-Y257 PolarHBondContact OH-O 2.98Å; E255-Y257 PolarHBondContact O-N 3.03Å
258	G	98.5	Very high	98.5	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	94.8	180	-177.4	0	0	0	0	0	113.8	N35 Y233 R252	N35-G258 WeakPolarHBondContact CB-O 3.4Å; N35-G258 PolarHBondContact OD1-N 2.82Å; N35-G258 PolarHBondContact OD1-O 2.9Å; Y233-G258 WeakPolarHBondContact OH-CA 3.34Å; Y233-G258 PolarHBondContact OH-O 3.04Å; R252-G258 VanDerWaalsContact CZ-O 3.27Å; R252-G258 PolarHBondContact NH1-O 3.36Å; R252-G258 PolarHBondContact NH2-O 3.27Å
259	P	98.8	Very high	98.5	Very high	1 Å²	1	35 Å²	35	1%	0.006	18%	0.175	C	C	.	.			trans	-65.8	139.2	-172.1	24.5	-32.1	0	0	0	113.8	N35 F37 Y233 Q251 V261 N298	N35-P259 WeakPolarHBondContact O-CA 3.41Å; F37-P259 HydrophobicContact CD1-CG 3.97Å; F37-P259 HydrophobicContact CD2-CB 3.93Å; F37-P259 HydrophobicContact CD2-CG 3.78Å; F37-P259 HydrophobicContact CE1-CG 3.68Å; F37-P259 HydrophobicContact CE2-CB 3.77Å; F37-P259 HydrophobicContact CE2-CG 3.45Å; F37-P259 VanDerWaalsContact CE2-CG 3.45Å; F37-P259 HydrophobicContact CG-CG 4.02Å; F37-P259 HydrophobicContact CZ-CB 4.23Å; F37-P259 HydrophobicContact CZ-CG 3.4Å; F37-P259 VanDerWaalsContact CZ-CG 3.4Å; Y233-P259 HydrophobicContact CE1-CG 3.92Å; Y233-P259 WeakPolarHBondContact CE1-O 3.35Å; Y233-P259 WeakPolarHBondContact OH-CD 3.38Å; Y233-P259 VanDerWaalsContact OH-N 3.13Å; Y233-P259 PolarHBondContact OH-O 3.37Å; Q251-P259 PolarHBondContact NE2-O 3.21Å; Q251-P259 VanDerWaalsContact NE2-O 3.12Å; P259-V261 HydrophobicContact CB-CG2 4.25Å; P259-V261 HydrophobicContact CG-CG2 4.34Å; P259-N298 WeakPolarHBondContact CB-ND2 3.5Å
260	L	98.9	Very high	98.5	Very high	27 Å²	27	32.9 Å²	32.9	14%	0.141	16%	0.155	C	C	.	.			trans	-68.4	134	162.7	-66.7	-179.9	0	0	0	109.2	F248 R252 A297 N298	F248-L260 HydrophobicContact CB-CD1 4.16Å; F248-L260 HydrophobicContact CB-CD2 3.81Å; F248-L260 HydrophobicContact CD1-CB 3.97Å; F248-L260 HydrophobicContact CD1-CD1 4.39Å; F248-L260 HydrophobicContact CD1-CD2 3.84Å; F248-L260 HydrophobicContact CD1-CG 4.28Å; F248-L260 HydrophobicContact CD2-CD1 3.98Å; F248-L260 HydrophobicContact CE1-CB 3.95Å; F248-L260 HydrophobicContact CE2-CD1 4.47Å; F248-L260 HydrophobicContact CG-CB 4.36Å; F248-L260 HydrophobicContact CG-CD1 3.94Å; F248-L260 HydrophobicContact CG-CD2 3.91Å; F248-L260 HydrophobicContact CG-CG 4.29Å; F248-L260 HydrophobicContact CZ-CB 4.29Å; R252-L260 HydrophobicContact CG-CD2 4.2Å; L260-A297 HydrophobicContact CB-CB 3.77Å; L260-N298 PolarHBondContact O-N 3.48Å; L260-N298 PolarHBondContact O-ND2 3.19Å
261	V	98.9	Very high	98.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	120	-175.8	-178.6	0	0	0	0	110.3	F37 Y46 Y233 T235 V236 Q251 P259 S263 N298	F37-V261 HydrophobicContact CE2-CG2 4.02Å; F37-V261 HydrophobicContact CZ-CG2 4.15Å; Y46-V261 WeakPolarHBondContact OH-CG1 3.24Å; Y233-V261 HydrophobicContact CE1-CG2 4.27Å; T235-V261 HydrophobicContact CG2-CB 3.7Å; T235-V261 HydrophobicContact CG2-CG1 3.65Å; T235-V261 HydrophobicContact CG2-CG2 4.11Å; V236-V261 PolarHBondContact N-O 2.8Å; Q251-V261 PolarHBondContact OE1-O 3.14Å; P259-V261 HydrophobicContact CB-CG2 4.25Å; P259-V261 HydrophobicContact CG-CG2 4.34Å; V261-S263 WeakPolarHBondContact CG1-OG 3.29Å; V261-N298 WeakPolarHBondContact CA-O 3.06Å; V261-N298 HydrophobicContact CG2-CB 4.17Å
262	N	98.9	Very high	98.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	104	159.5	-174.6	-13	0	0	0	109.1	V236 D237 F238 F248 E264 F265 M292 N298 V299 N300	V236-N262 CarbonylContact O-C 3.56Å; V236-N262 VanDerWaalsContact O-CA 3.27Å; V236-N262 WeakPolarHBondContact O-CA 3.46Å; D237-N262 WeakPolarHBondContact CA-OD1 3.33Å; F238-N262 HydrophobicContact CD1-CB 4.5Å; F238-N262 WeakPolarHBondContact CD2-ND2 3.35Å; F238-N262 HydrophobicContact CE1-CB 3.87Å; F238-N262 WeakPolarHBondContact CE1-ND2 3.31Å; F238-N262 WeakPolarHBondContact CE2-ND2 3.35Å; F238-N262 HydrophobicContact CZ-CB 3.96Å; F238-N262 VanDerWaalsContact CZ-ND2 3.33Å; F238-N262 WeakPolarHBondContact CZ-ND2 3.17Å; F238-N262 PolarHBondContact N-OD1 2.93Å; F238-N262 PolarHBondContact O-ND2 3.13Å; F248-N262 HydrophobicContact CE1-CB 4.43Å; F248-N262 HydrophobicContact CZ-CB 4.37Å; N262-E264 PolarHBondContact OD1-N 3.47Å; N262-E264 VanDerWaalsContact OD1-N 3.15Å; N262-E264 PolarHBondContact OD1-O 3.24Å; N262-E264 VanDerWaalsContact OD1-O 3.12Å; N262-F265 PolarHBondContact OD1-N 3.3Å; N262-M292 HydrophobicContact CB-SD 3.92Å; N262-N298 PolarHBondContact N-O 2.84Å; N262-V299 WeakPolarHBondContact O-CA 3.44Å; N262-N300 PolarHBondContact O-N 3.3Å
263	S	98.9	Very high	98.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	-18.5	-175.5	-69	0	0	0	0	113.3	Q77 T216 T235 V236 V261 N300	Q77-S263 PolarHBondContact NE2-O 3.34Å; T216-S263 WeakPolarHBondContact OG1-CB 3.17Å; T216-S263 PolarHBondContact OG1-OG 3.44Å; T235-S263 WeakPolarHBondContact CB-OG 3.4Å; T235-S263 PolarHBondContact OG1-OG 3.17Å; V236-S263 PolarHBondContact O-N 2.87Å; V261-S263 WeakPolarHBondContact CG1-OG 3.29Å; S263-N300 WeakPolarHBondContact O-CB 3.28Å; S263-N300 PolarHBondContact O-ND2 2.96Å
264	E	98.9	Very high	98.4	Very high	9 Å²	9	27.8 Å²	27.8	4%	0.042	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	90	170.1	-56.8	-170	167.9	0	0	111.3	Y79 R117 D237 F238 N262 Y266 Y302	Y79-E264 PolarHBondContact OH-OE1 2.73Å; R117-E264 IonicContact CZ-OE1 3.75Å; R117-E264 IonicContact NH1-OE1 3.24Å; R117-E264 PolarHBondContact NH1-OE1 3.12Å; R117-E264 IonicContact NH2-OE1 2.72Å; R117-E264 PolarHBondContact NH2-OE1 2.89Å; D237-E264 HydrophobicContact CB-CB 3.71Å; D237-E264 HydrophobicContact CB-CG 4.39Å; F238-E264 PolarHBondContact N-O 2.81Å; N262-E264 PolarHBondContact OD1-N 3.47Å; N262-E264 VanDerWaalsContact OD1-N 3.15Å; N262-E264 PolarHBondContact OD1-O 3.24Å; N262-E264 VanDerWaalsContact OD1-O 3.12Å; E264-Y266 HydrophobicContact CB-CD1 4.33Å; E264-Y266 HydrophobicContact CB-CE1 3.66Å; E264-Y266 PolarHBondContact O-N 3.32Å; E264-Y266 WeakPolarHBondContact OE2-CE1 3.42Å; E264-Y302 HydrophobicContact CB-CG 4.22Å; E264-Y302 HydrophobicContact CG-CD2 4.09Å; E264-Y302 HydrophobicContact CG-CG 4.24Å
265	F	98.9	Very high	98.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	104.8	170.2	173.8	-122.3	0	0	0	110.5	P240 N262 T267 V285 L289 M292 V299 N300 L301 Y302	P240-F265 HydrophobicContact CB-CE2 3.62Å; P240-F265 HydrophobicContact CB-CZ 3.82Å; P240-F265 HydrophobicContact CG-CE2 4.4Å; N262-F265 PolarHBondContact OD1-N 3.3Å; F265-T267 PolarHBondContact O-N 3.2Å; F265-T267 VanDerWaalsContact O-N 3.13Å; F265-V285 HydrophobicContact CE1-CG1 3.73Å; F265-V285 HydrophobicContact CZ-CG1 4.09Å; F265-L289 HydrophobicContact CE1-CB 4.06Å; F265-L289 HydrophobicContact CZ-CB 4.48Å; F265-M292 HydrophobicContact CB-CE 4.07Å; F265-M292 HydrophobicContact CD1-CE 3.83Å; F265-M292 HydrophobicContact CD2-CE 3.46Å; F265-M292 VanDerWaalsContact CD2-CE 3.46Å; F265-M292 HydrophobicContact CD2-SD 4.46Å; F265-M292 HydrophobicContact CE1-CE 4.07Å; F265-M292 HydrophobicContact CE2-CE 3.71Å; F265-M292 HydrophobicContact CG-CE 3.51Å; F265-M292 HydrophobicContact CZ-CE 4.01Å; F265-V299 HydrophobicContact CB-CG2 3.65Å; F265-V299 HydrophobicContact CD1-CG2 4.21Å; F265-V299 HydrophobicContact CG-CG2 4.15Å; F265-N300 WeakPolarHBondContact CB-O 3.37Å; F265-N300 PolarHBondContact N-O 2.86Å; F265-L301 HydrophobicContact CD1-CG 4.15Å; F265-Y302 PolarHBondContact O-N 2.8Å
266	Y	98.7	Very high	98.3	Very high	28 Å²	28	37.5 Å²	37.5	11%	0.11	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	104.4	-171.6	-49.2	-59.6	0	0	0	113.5	D237 G239 P240 E264 G268 W269 Y302	D237-Y266 PolarHBondContact OD1-OH 3.48Å; G239-Y266 VanDerWaalsContact CA-CD2 3.46Å; G239-Y266 VanDerWaalsContact N-CD2 3.27Å; P240-Y266 WeakPolarHBondContact CD-O 3.41Å; E264-Y266 HydrophobicContact CB-CD1 4.33Å; E264-Y266 HydrophobicContact CB-CE1 3.66Å; E264-Y266 PolarHBondContact O-N 3.32Å; E264-Y266 WeakPolarHBondContact OE2-CE1 3.42Å; Y266-G268 PolarHBondContact O-N 2.78Å; Y266-W269 HydrophobicContact CD1-CE3 4.38Å; Y266-W269 AromaticContact CD1-CZ3 3.76Å; Y266-W269 HydrophobicContact CD1-CZ3 3.76Å; Y266-W269 AromaticContact CD2-CZ3 3.69Å; Y266-W269 HydrophobicContact CD2-CZ3 3.69Å; Y266-W269 HydrophobicContact CE1-CZ3 4.06Å; Y266-W269 HydrophobicContact CE2-CZ3 4.06Å; Y266-W269 HydrophobicContact CG-CE3 4.11Å; Y266-W269 AromaticContact CG-CZ3 3.57Å; Y266-W269 HydrophobicContact CG-CZ3 3.57Å; Y266-Y302 CarbonylContact C-O 3.57Å; Y266-Y302 WeakPolarHBondContact CA-O 3.25Å; Y266-Y302 HydrophobicContact CD1-CD1 4.12Å; Y266-Y302 HydrophobicContact CE1-CD1 4.38Å
267	T	98.8	Very high	98.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	-77.6	-11.9	-179.8	55.9	0	0	0	0	114.1	F265 V285 L301 Y302 M303 P332 K342	F265-T267 PolarHBondContact O-N 3.2Å; F265-T267 VanDerWaalsContact O-N 3.13Å; T267-V285 HydrophobicContact CG2-CG1 4.38Å; T267-L301 HydrophobicContact CG2-CB 3.75Å; T267-L301 HydrophobicContact CG2-CD2 3.89Å; T267-L301 HydrophobicContact CG2-CG 4.24Å; T267-Y302 PolarHBondContact N-O 2.69Å; T267-Y302 PolarHBondContact OG1-O 3.19Å; T267-M303 PolarHBondContact OG1-N 3.18Å; T267-M303 PolarHBondContact OG1-O 3.49Å; T267-P332 HydrophobicContact CG2-CG 4.14Å; T267-K342 PolarHBondContact O-NZ 3.37Å
268	G	98.5	Very high	98.3	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.01	14%	0.143	C	C	.	.	S	Bend	trans	-167.8	-153.1	-169	0	0	0	0	0	108.4	Y266 Y329	Y266-G268 PolarHBondContact O-N 2.78Å; G268-Y329 CarbonylContact C-O 3.59Å; G268-Y329 WeakPolarHBondContact CA-O 3.36Å; G268-Y329 WeakPolarHBondContact O-CE1 3.37Å
269	W	98.6	Very high	98.2	Very high	116 Å²	116	34.6 Å²	34.6	44%	0.439	17%	0.172	S	C	.	.			trans	-158.2	165.5	174.9	-157.9	-112.9	0	0	0	112.3	Y266 Y329	Y266-W269 HydrophobicContact CD1-CE3 4.38Å; Y266-W269 AromaticContact CD1-CZ3 3.76Å; Y266-W269 HydrophobicContact CD1-CZ3 3.76Å; Y266-W269 AromaticContact CD2-CZ3 3.69Å; Y266-W269 HydrophobicContact CD2-CZ3 3.69Å; Y266-W269 HydrophobicContact CE1-CZ3 4.06Å; Y266-W269 HydrophobicContact CE2-CZ3 4.06Å; Y266-W269 HydrophobicContact CG-CE3 4.11Å; Y266-W269 AromaticContact CG-CZ3 3.57Å; Y266-W269 HydrophobicContact CG-CZ3 3.57Å; W269-Y329 PolarHBondContact N-O 2.81Å; W269-Y329 VanDerWaalsContact N-O 3.14Å
270	L	98.3	Very high	98.2	Very high	14 Å²	14	36 Å²	36	7%	0.073	18%	0.181	C	C	.	.			trans	-70	157.5	175.5	67	95.7	0	0	0	112.8	E125 H272 S278 Q323 Y329	E125-L270 VanDerWaalsContact CD-CD2 3.48Å; E125-L270 HydrophobicContact CG-CB 3.71Å; E125-L270 HydrophobicContact CG-CD2 3.66Å; E125-L270 HydrophobicContact CG-CG 4.16Å; L270-H272 WeakPolarHBondContact CD1-CE1 3.37Å; L270-S278 PolarHBondContact O-OG 3.26Å; L270-Q323 HydrophobicContact CD1-CG 4.08Å; L270-Y329 HydrophobicContact CB-CE2 4.48Å
271	D	98.7	Very high	98.1	Very high	17 Å²	17	37.9 Å²	37.9	9%	0.091	20%	0.196	C	C	.	.			trans	-109.5	165.3	174.9	-82.9	-4.9	0	0	0	112.4	H277 S278 Q323 P324	D271-H277 WeakPolarHBondContact OD1-CA 3.17Å; D271-H277 IonicContact OD1-ND1 2.85Å; D271-H277 IonicContact OD2-CE1 2.66Å; D271-H277 IonicContact OD2-CG 3.53Å; D271-H277 IonicContact OD2-ND1 3.38Å; D271-H277 PolarHBondContact OD2-ND1 3.3Å; D271-S278 WeakPolarHBondContact OD1-CB 3.37Å; D271-S278 PolarHBondContact OD1-N 2.93Å; D271-S278 PolarHBondContact OD1-OG 2.97Å; D271-Q323 WeakPolarHBondContact O-CA 3.44Å; D271-Q323 WeakPolarHBondContact O-CB 3.42Å; D271-Q323 WeakPolarHBondContact O-CG 3.18Å; D271-P324 VanDerWaalsContact C-CD 3.44Å; D271-P324 HydrophobicContact CB-CG 3.5Å; D271-P324 WeakPolarHBondContact O-CD 3.38Å
272	H	98.7	Very high	98.1	Very high	38 Å²	38	39.4 Å²	39.4	18%	0.176	21%	0.206	C	C	.	.			trans	-133.3	147.3	167.1	-62.9	106.7	0	0	0	111.6	L270 G274 S275 N317 A321 P588	L270-H272 WeakPolarHBondContact CD1-CE1 3.37Å; H272-G274 PolarHBondContact O-N 3.01Å; H272-G274 VanDerWaalsContact O-N 3.16Å; H272-S275 WeakPolarHBondContact O-CB 3.4Å; H272-S275 PolarHBondContact O-N 3Å; H272-N317 PolarHBondContact CE1-OD1 3.09Å; H272-N317 PolarHBondContact NE2-OD1 3.09Å; H272-A321 HydrophobicContact CB-CB 4.39Å; H272-A321 PolarHBondContact CD2-O 3.35Å; H272-A321 VanDerWaalsContact CD2-O 3.27Å; H272-P588 WeakPolarHBondContact O-CD 3.24Å
273	W	98.4	Very high	98	Very high	14 Å²	14	42.6 Å²	42.6	5%	0.053	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	117.5	172.7	-73	117.8	0	0	0	112.3	A322 P324 W583 R586 G587 Q589	W273-A322 PolarHBondContact N-O 3.32Å; W273-A322 VanDerWaalsContact N-O 3.1Å; W273-P324 HydrophobicContact CD2-CB 3.95Å; W273-P324 HydrophobicContact CE3-CB 4.28Å; W273-P324 HydrophobicContact CH2-CB 3.98Å; W273-P324 HydrophobicContact CZ2-CB 3.65Å; W273-P324 HydrophobicContact CZ3-CB 4.29Å; W273-W583 HydrophobicContact CB-CE3 3.68Å; W273-W583 HydrophobicContact CB-CZ3 3.91Å; W273-W583 HydrophobicContact CD2-CB 4.04Å; W273-W583 HydrophobicContact CD2-CE3 4.07Å; W273-W583 HydrophobicContact CE3-CB 3.72Å; W273-W583 AromaticContact CG-CE3 3.66Å; W273-W583 HydrophobicContact CG-CE3 3.66Å; W273-W583 HydrophobicContact CG-CZ3 4.22Å; W273-W583 HydrophobicContact CH2-CB 4.2Å; W273-W583 HydrophobicContact CZ2-CB 4.44Å; W273-W583 HydrophobicContact CZ3-CB 3.81Å; W273-R586 PolarHBondContact O-NH2 3.17Å; W273-R586 VanDerWaalsContact O-NH2 3.17Å; W273-G587 CarbonylContact C-O 3.59Å; W273-G587 WeakPolarHBondContact CA-O 3.44Å; W273-G587 VanDerWaalsContact CE3-O 3.26Å; W273-Q589 HydrophobicContact CH2-CB 3.76Å; W273-Q589 HydrophobicContact CH2-CG 4.07Å; W273-Q589 HydrophobicContact CZ3-CB 3.75Å; W273-Q589 HydrophobicContact CZ3-CG 4.48Å; W273-Q589 WeakPolarHBondContact CZ3-O 3.35Å
274	G	96	Very high	98	Very high	30 Å²	30	45.3 Å²	45.3	31%	0.309	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.4	1.2	-178.2	0	0	0	0	0	114.7	H272 G587	H272-G274 PolarHBondContact O-N 3.01Å; H272-G274 VanDerWaalsContact O-N 3.16Å; G274-G587 PolarHBondContact N-O 2.81Å
275	S	96.1	Very high	98	Very high	54 Å²	54	44.9 Å²	44.9	38%	0.378	25%	0.247	S	C	.	.	S	Bend	trans	-96.2	173.3	172.1	-67.9	0	0	0	0	111.4	H272 P588 T635	H272-S275 WeakPolarHBondContact O-CB 3.4Å; H272-S275 PolarHBondContact O-N 3Å; S275-P588 WeakPolarHBondContact O-CB 3.47Å; S275-P588 VanDerWaalsContact O-CD 3.3Å; S275-P588 WeakPolarHBondContact O-CD 3.44Å; S275-P588 WeakPolarHBondContact O-CG 3.33Å; S275-T635 PolarHBondContact O-OG1 2.86Å
276	R	97.1	Very high	98	Very high	210 Å²	210	45.6 Å²	45.6	79%	0.792	25%	0.253	S	S	*	.	P	Polyproline II helix	trans	-74.9	148.6	167.4	-67.6	-176.9	-179.9	-168.5	-1.4	109.7	S278	R276-S278 PolarHBondContact O-N 3.08Å
277	H	98.1	Very high	97.9	Very high	36 Å²	36	52 Å²	52	17%	0.167	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-60.6	129.3	169.5	-179	55.4	0	0	0	110.3	D271 P588 L632 N633	D271-H277 WeakPolarHBondContact OD1-CA 3.17Å; D271-H277 IonicContact OD1-ND1 2.85Å; D271-H277 IonicContact OD2-CE1 2.66Å; D271-H277 IonicContact OD2-CG 3.53Å; D271-H277 IonicContact OD2-ND1 3.38Å; D271-H277 PolarHBondContact OD2-ND1 3.3Å; H277-P588 HydrophobicContact CB-CB 4.23Å; H277-P588 HydrophobicContact CB-CG 4.32Å; H277-L632 WeakPolarHBondContact CB-O 3.49Å; H277-N633 HydrophobicContact CB-CB 4.19Å
278	S	97.8	Very high	97.9	Very high	30 Å²	30	52.7 Å²	52.7	21%	0.21	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-76.1	128.8	178.9	-70	0	0	0	0	110.9	L270 D271 R276 D330	L270-S278 PolarHBondContact O-OG 3.26Å; D271-S278 WeakPolarHBondContact OD1-CB 3.37Å; D271-S278 PolarHBondContact OD1-N 2.93Å; D271-S278 PolarHBondContact OD1-OG 2.97Å; R276-S278 PolarHBondContact O-N 3.08Å; S278-D330 WeakPolarHBondContact O-CB 3.46Å
279	V	97.3	Very high	97.9	Very high	101 Å²	101	52.6 Å²	52.6	61%	0.612	29%	0.286	S	S	*	.			trans	-136.2	136.7	179.6	179.3	0	0	0	0	109.3	D330	V279-D330 WeakPolarHBondContact CA-OD2 3.26Å; V279-D330 WeakPolarHBondContact CG1-OD2 3.35Å
280	V	97.5	Very high	97.9	Very high	32 Å²	32	48.5 Å²	48.5	19%	0.194	28%	0.275	C	S	.	.			trans	-123.8	129.4	175.6	-178.2	0	0	0	0	109.2	P240 S282 V285 D330 K342	P240-V280 HydrophobicContact CG-CG1 3.78Å; V280-S282 PolarHBondContact O-N 3.05Å; V280-V285 HydrophobicContact CG1-CG2 3.81Å; V280-D330 PolarHBondContact N-OD2 2.82Å; V280-K342 WeakPolarHBondContact O-CE 3.38Å; V280-K342 PolarHBondContact O-NZ 3.13Å
281	S	97.9	Very high	97.9	Very high	65 Å²	65	51.8 Å²	51.8	46%	0.455	29%	0.29	S	S	.	.			trans	-59.9	131.4	-176.3	175.6	0	0	0	0	113	A283 V284 V285	S281-A283 PolarHBondContact O-N 3.11Å; S281-A283 PolarHBondContact OG-N 3.46Å; S281-V284 PolarHBondContact O-N 2.95Å; S281-V285 PolarHBondContact O-N 3.11Å
282	S	98	Very high	97.9	Very high	32 Å²	32	51 Å²	51	22%	0.224	29%	0.285	C	S	.	.	H	α-helix	trans	-52.4	-38.2	172.1	-51.7	0	0	0	0	112.8	V280 V285 A286 K342	V280-S282 PolarHBondContact O-N 3.05Å; S282-V285 PolarHBondContact O-N 2.66Å; S282-A286 VanDerWaalsContact O-CB 3.23Å; S282-A286 WeakPolarHBondContact O-CB 3.31Å; S282-A286 PolarHBondContact O-N 2.81Å; S282-K342 WeakPolarHBondContact OG-CB 3.4Å
283	A	97.8	Very high	97.9	Very high	68 Å²	68	49.3 Å²	49.3	56%	0.562	28%	0.278	S	S	*	.	H	α-helix	trans	-67.4	-37.9	179.4	0	0	0	0	0	112.4	S281 K287	S281-A283 PolarHBondContact O-N 3.11Å; S281-A283 PolarHBondContact OG-N 3.46Å; A283-K287 VanDerWaalsContact O-CB 3.25Å; A283-K287 WeakPolarHBondContact O-CB 3.26Å; A283-K287 PolarHBondContact O-N 2.85Å
284	V	97.9	Very high	97.9	Very high	56 Å²	56	51.4 Å²	51.4	34%	0.339	30%	0.298	S	S	.	.	H	α-helix	trans	-69.9	-43.1	178.3	170.5	0	0	0	0	110.3	P240 S281 S288	P240-V284 HydrophobicContact CB-CG1 3.73Å; P240-V284 HydrophobicContact CG-CG1 4.02Å; S281-V284 PolarHBondContact O-N 2.95Å; V284-S288 PolarHBondContact O-N 2.95Å; V284-S288 VanDerWaalsContact O-N 3.11Å; V284-S288 PolarHBondContact O-OG 3.34Å
285	V	98.6	Very high	97.9	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-60.4	-50.9	173.3	176.7	0	0	0	0	111	P240 F265 T267 V280 S281 S282 K287 S288 L289 I346	P240-V285 HydrophobicContact CG-CG2 4.34Å; F265-V285 HydrophobicContact CE1-CG1 3.73Å; F265-V285 HydrophobicContact CZ-CG1 4.09Å; T267-V285 HydrophobicContact CG2-CG1 4.38Å; V280-V285 HydrophobicContact CG1-CG2 3.81Å; S281-V285 PolarHBondContact O-N 3.11Å; S282-V285 PolarHBondContact O-N 2.66Å; V285-K287 PolarHBondContact O-N 3.12Å; V285-S288 PolarHBondContact O-N 3.02Å; V285-L289 VanDerWaalsContact O-CB 3.3Å; V285-L289 WeakPolarHBondContact O-CB 3.35Å; V285-L289 PolarHBondContact O-N 3.33Å; V285-I346 HydrophobicContact CG1-CD1 4.03Å; V285-I346 HydrophobicContact CG1-CG1 4.16Å
286	A	98.4	Very high	98	Very high	15 Å²	15	56.7 Å²	56.7	12%	0.124	31%	0.313	C	S	.	.	H	α-helix	trans	-61.1	-42.6	-179	0	0	0	0	0	112.5	S282 S290 A345 V349	S282-A286 VanDerWaalsContact O-CB 3.23Å; S282-A286 WeakPolarHBondContact O-CB 3.31Å; S282-A286 PolarHBondContact O-N 2.81Å; A286-S290 WeakPolarHBondContact O-CB 3.38Å; A286-S290 PolarHBondContact O-N 2.82Å; A286-A345 HydrophobicContact CB-CB 4.41Å; A286-V349 HydrophobicContact CB-CG2 3.89Å
287	K	97.9	Very high	98.1	Very high	163 Å²	163	46.7 Å²	46.7	71%	0.709	28%	0.275	S	S	*	.	H	α-helix	trans	-62.4	-48.2	178	-177.9	180	178.2	-177.8	0	111.8	A283 V285 S290 H291	A283-K287 VanDerWaalsContact O-CB 3.25Å; A283-K287 WeakPolarHBondContact O-CB 3.26Å; A283-K287 PolarHBondContact O-N 2.85Å; V285-K287 PolarHBondContact O-N 3.12Å; K287-S290 PolarHBondContact O-N 2.78Å; K287-H291 PolarHBondContact O-N 3.42Å; K287-H291 VanDerWaalsContact O-N 3.08Å
288	S	98.3	Very high	98.1	Very high	14 Å²	14	45.1 Å²	45.1	10%	0.098	27%	0.268	C	S	.	.	H	α-helix	trans	-70.8	-36.6	-178.2	-65.1	0	0	0	0	112	P240 V284 V285 H291 M292	P240-S288 PolarHBondContact O-OG 3.47Å; V284-S288 PolarHBondContact O-N 2.95Å; V284-S288 VanDerWaalsContact O-N 3.11Å; V284-S288 PolarHBondContact O-OG 3.34Å; V285-S288 PolarHBondContact O-N 3.02Å; S288-H291 PolarHBondContact O-N 2.81Å; S288-M292 WeakPolarHBondContact O-CG 3.48Å; S288-M292 PolarHBondContact O-N 2.82Å
289	L	98.7	Very high	98.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59.2	-49.5	170.7	178.4	61.9	0	0	0	111.6	F265 V285 H291 M292 L293 V299 L301 I346 V349 I350	F265-L289 HydrophobicContact CE1-CB 4.06Å; F265-L289 HydrophobicContact CZ-CB 4.48Å; V285-L289 VanDerWaalsContact O-CB 3.3Å; V285-L289 WeakPolarHBondContact O-CB 3.35Å; V285-L289 PolarHBondContact O-N 3.33Å; L289-H291 VanDerWaalsContact C-N 3.31Å; L289-H291 PolarHBondContact O-N 2.63Å; L289-M292 PolarHBondContact O-N 3.37Å; L289-L293 HydrophobicContact CD1-CD1 4.15Å; L289-L293 HydrophobicContact CD1-CG 4.1Å; L289-L293 HydrophobicContact CG-CD1 4.12Å; L289-L293 HydrophobicContact CG-CG 4.41Å; L289-L293 WeakPolarHBondContact O-CG 3.24Å; L289-L293 PolarHBondContact O-N 3.06Å; L289-V299 HydrophobicContact CD1-CG1 3.71Å; L289-V299 HydrophobicContact CD1-CG2 4.28Å; L289-L301 HydrophobicContact CD1-CD1 4.47Å; L289-L301 HydrophobicContact CD2-CD2 4.38Å; L289-I346 HydrophobicContact CD2-CB 4.4Å; L289-I346 HydrophobicContact CD2-CG1 4.27Å; L289-I346 HydrophobicContact CD2-CG2 3.91Å; L289-V349 HydrophobicContact CB-CG1 4.33Å; L289-V349 HydrophobicContact CD2-CB 4.18Å; L289-V349 HydrophobicContact CD2-CG1 3.89Å; L289-V349 HydrophobicContact CG-CG1 3.85Å; L289-I350 HydrophobicContact CD2-CG1 4.45Å
290	S	98.5	Very high	98.3	Very high	30 Å²	30	38.9 Å²	38.9	21%	0.21	23%	0.229	C	C	.	.	H	α-helix	trans	-57.3	-44	178.3	-178.3	0	0	0	0	111.8	A286 K287 M292 L293 A294 Y353	A286-S290 WeakPolarHBondContact O-CB 3.38Å; A286-S290 PolarHBondContact O-N 2.82Å; K287-S290 PolarHBondContact O-N 2.78Å; S290-M292 PolarHBondContact O-N 2.94Å; S290-L293 PolarHBondContact O-N 2.83Å; S290-A294 WeakPolarHBondContact O-CB 3.31Å; S290-A294 PolarHBondContact O-N 2.84Å; S290-Y353 PolarHBondContact O-OH 3.32Å; S290-Y353 VanDerWaalsContact O-OH 3.1Å; S290-Y353 PolarHBondContact OG-OH 3.27Å
291	H	98.2	Very high	98.3	Very high	83 Å²	83	37.3 Å²	37.3	38%	0.384	22%	0.22	S	C	.	.	H	α-helix	trans	-62.4	-43.7	176.3	-173.4	-172.7	0	0	0	112.3	I244 K287 S288 L289 A294 V295	I244-H291 HydrophobicContact CD1-CB 3.73Å; I244-H291 WeakPolarHBondContact CD1-ND1 3.3Å; K287-H291 PolarHBondContact O-N 3.42Å; K287-H291 VanDerWaalsContact O-N 3.08Å; S288-H291 PolarHBondContact O-N 2.81Å; L289-H291 VanDerWaalsContact C-N 3.31Å; L289-H291 PolarHBondContact O-N 2.63Å; H291-A294 PolarHBondContact O-N 3.25Å; H291-V295 PolarHBondContact O-N 2.71Å
292	M	98.6	Very high	98.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.2	-42.7	176.6	-70.9	-171.2	-66.4	0	0	112.4	F238 I244 F248 N262 F265 S288 L289 S290 A294 V295 E296 A297 V299	F238-M292 HydrophobicContact CE2-SD 3.69Å; F238-M292 HydrophobicContact CZ-SD 3.77Å; I244-M292 HydrophobicContact CD1-CG 4.01Å; I244-M292 HydrophobicContact CG1-CG 4.38Å; I244-M292 HydrophobicContact CG2-CG 4.16Å; F248-M292 HydrophobicContact CE2-CG 4.14Å; F248-M292 HydrophobicContact CZ-CG 4.34Å; F248-M292 HydrophobicContact CZ-SD 4.34Å; N262-M292 HydrophobicContact CB-SD 3.92Å; F265-M292 HydrophobicContact CB-CE 4.07Å; F265-M292 HydrophobicContact CD1-CE 3.83Å; F265-M292 HydrophobicContact CD2-CE 3.46Å; F265-M292 VanDerWaalsContact CD2-CE 3.46Å; F265-M292 HydrophobicContact CD2-SD 4.46Å; F265-M292 HydrophobicContact CE1-CE 4.07Å; F265-M292 HydrophobicContact CE2-CE 3.71Å; F265-M292 HydrophobicContact CG-CE 3.51Å; F265-M292 HydrophobicContact CZ-CE 4.01Å; S288-M292 WeakPolarHBondContact O-CG 3.48Å; S288-M292 PolarHBondContact O-N 2.82Å; L289-M292 PolarHBondContact O-N 3.37Å; S290-M292 PolarHBondContact O-N 2.94Å; M292-A294 VanDerWaalsContact C-N 3.31Å; M292-A294 PolarHBondContact O-N 3.26Å; M292-V295 VanDerWaalsContact O-CG2 3.24Å; M292-V295 WeakPolarHBondContact O-CG2 3.41Å; M292-V295 PolarHBondContact O-N 2.89Å; M292-E296 PolarHBondContact O-N 3.06Å; M292-A297 HydrophobicContact CB-CB 4.37Å; M292-A297 WeakPolarHBondContact O-CB 3.27Å; M292-A297 PolarHBondContact O-N 2.91Å; M292-V299 HydrophobicContact CE-CB 4.39Å; M292-V299 HydrophobicContact CE-CG2 3.58Å; M292-V299 HydrophobicContact SD-CG2 4.3Å
293	L	98.4	Very high	98.4	Very high	2 Å²	2	33 Å²	33	1%	0.01	19%	0.188	C	C	.	.	H	α-helix	trans	-67.3	-32.1	177.7	-64.6	-178.7	0	0	0	112.5	R45 I47 L289 S290 V295 E296 V299 V349 Y353	R45-L293 PolarHBondContact NH1-O 2.8Å; I47-L293 HydrophobicContact CD1-CD1 4.06Å; I47-L293 HydrophobicContact CD1-CD2 3.73Å; I47-L293 HydrophobicContact CG1-CD2 3.85Å; L289-L293 HydrophobicContact CD1-CD1 4.15Å; L289-L293 HydrophobicContact CD1-CG 4.1Å; L289-L293 HydrophobicContact CG-CD1 4.12Å; L289-L293 HydrophobicContact CG-CG 4.41Å; L289-L293 WeakPolarHBondContact O-CG 3.24Å; L289-L293 PolarHBondContact O-N 3.06Å; S290-L293 PolarHBondContact O-N 2.83Å; L293-V295 VanDerWaalsContact C-N 3.31Å; L293-V295 PolarHBondContact O-N 3.15Å; L293-E296 PolarHBondContact O-N 2.9Å; L293-E296 VanDerWaalsContact O-N 3.14Å; L293-V299 HydrophobicContact CD2-CG1 3.93Å; L293-V349 HydrophobicContact CD1-CG1 4.11Å; L293-Y353 HydrophobicContact CB-CD1 3.92Å; L293-Y353 HydrophobicContact CB-CD2 3.7Å; L293-Y353 HydrophobicContact CB-CE1 4Å; L293-Y353 HydrophobicContact CB-CE2 3.81Å; L293-Y353 HydrophobicContact CB-CG 3.78Å; L293-Y353 HydrophobicContact CD1-CD2 3.59Å; L293-Y353 HydrophobicContact CD1-CE2 4.15Å; L293-Y353 HydrophobicContact CD1-CG 4.1Å; L293-Y353 HydrophobicContact CG-CD2 4.31Å
294	A	98.1	Very high	98.5	Very high	59 Å²	59	29.7 Å²	29.7	49%	0.488	16%	0.161	S	C	.	.	H	α-helix	trans	-66.8	-28.8	175.8	0	0	0	0	0	113.6	S290 H291 M292 E296 Y353	S290-A294 WeakPolarHBondContact O-CB 3.31Å; S290-A294 PolarHBondContact O-N 2.84Å; H291-A294 PolarHBondContact O-N 3.25Å; M292-A294 VanDerWaalsContact C-N 3.31Å; M292-A294 PolarHBondContact O-N 3.26Å; A294-E296 VanDerWaalsContact C-N 3.27Å; A294-Y353 HydrophobicContact CB-CE1 4.23Å
295	V	97.6	Very high	98.5	Very high	62 Å²	62	27.1 Å²	27.1	38%	0.376	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	19.5	173.4	-57.7	0	0	0	0	112.3	F248 H291 M292 L293 A297	F248-V295 HydrophobicContact CD2-CG2 4.45Å; F248-V295 HydrophobicContact CE2-CG2 4.17Å; H291-V295 PolarHBondContact O-N 2.71Å; M292-V295 VanDerWaalsContact O-CG2 3.24Å; M292-V295 WeakPolarHBondContact O-CG2 3.41Å; M292-V295 PolarHBondContact O-N 2.89Å; L293-V295 VanDerWaalsContact C-N 3.31Å; L293-V295 PolarHBondContact O-N 3.15Å; V295-A297 HydrophobicContact CG2-CB 4.22Å; V295-A297 PolarHBondContact O-N 2.98Å; V295-A297 VanDerWaalsContact O-N 3.08Å
296	E	97.4	Very high	98.5	Very high	132 Å²	132	27.1 Å²	27.1	62%	0.617	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	19.6	177.7	-53.9	-169.4	142.4	0	0	115.1	M292 L293 A294	M292-E296 PolarHBondContact O-N 3.06Å; L293-E296 PolarHBondContact O-N 2.9Å; L293-E296 VanDerWaalsContact O-N 3.14Å; A294-E296 VanDerWaalsContact C-N 3.27Å
297	A	98.6	Very high	98.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.14	C	C	.	.			trans	-69.1	144.5	178.2	0	0	0	0	0	111.6	R45 F248 L260 M292 V295	R45-A297 WeakPolarHBondContact CD-O 3.22Å; F248-A297 HydrophobicContact CE1-CB 4.24Å; F248-A297 HydrophobicContact CE2-CB 3.72Å; F248-A297 HydrophobicContact CZ-CB 3.41Å; F248-A297 VanDerWaalsContact CZ-CB 3.41Å; L260-A297 HydrophobicContact CB-CB 3.77Å; M292-A297 HydrophobicContact CB-CB 4.37Å; M292-A297 WeakPolarHBondContact O-CB 3.27Å; M292-A297 PolarHBondContact O-N 2.91Å; V295-A297 HydrophobicContact CG2-CB 4.22Å; V295-A297 PolarHBondContact O-N 2.98Å; V295-A297 VanDerWaalsContact O-N 3.08Å
298	N	98.9	Very high	98.6	Very high	3 Å²	3	18.8 Å²	18.8	2%	0.016	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	140.1	166.5	-60.5	-96.9	0	0	0	108.3	F37 R45 Y46 P259 L260 V261 N262	F37-N298 WeakPolarHBondContact CD2-OD1 3.38Å; F37-N298 HydrophobicContact CE2-CB 4.39Å; R45-N298 WeakPolarHBondContact CA-OD1 3.44Å; Y46-N298 HydrophobicContact CD1-CB 4Å; Y46-N298 WeakPolarHBondContact CD1-OD1 3.3Å; Y46-N298 HydrophobicContact CD2-CB 3.93Å; Y46-N298 HydrophobicContact CE1-CB 3.73Å; Y46-N298 HydrophobicContact CE2-CB 3.65Å; Y46-N298 HydrophobicContact CG-CB 4.11Å; Y46-N298 PolarHBondContact N-OD1 3.41Å; P259-N298 WeakPolarHBondContact CB-ND2 3.5Å; L260-N298 PolarHBondContact O-N 3.48Å; L260-N298 PolarHBondContact O-ND2 3.19Å; V261-N298 WeakPolarHBondContact CA-O 3.06Å; V261-N298 HydrophobicContact CG2-CB 4.17Å; N262-N298 PolarHBondContact N-O 2.84Å
299	V	98.9	Very high	98.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	135.4	-174.9	60.7	0	0	0	0	110.1	Y46 I47 S48 N262 F265 L289 M292 L293	Y46-V299 PolarHBondContact O-N 3.02Å; I47-V299 HydrophobicContact CG2-CG1 4.13Å; S48-V299 PolarHBondContact N-O 3.47Å; N262-V299 WeakPolarHBondContact O-CA 3.44Å; F265-V299 HydrophobicContact CB-CG2 3.65Å; F265-V299 HydrophobicContact CD1-CG2 4.21Å; F265-V299 HydrophobicContact CG-CG2 4.15Å; L289-V299 HydrophobicContact CD1-CG1 3.71Å; L289-V299 HydrophobicContact CD1-CG2 4.28Å; M292-V299 HydrophobicContact CE-CB 4.39Å; M292-V299 HydrophobicContact CE-CG2 3.58Å; M292-V299 HydrophobicContact SD-CG2 4.3Å; L293-V299 HydrophobicContact CD2-CG1 3.93Å
300	N	98.9	Very high	98.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	122.8	163.2	166.4	74.1	0	0	0	109.8	S48 G49 S50 Q77 N262 S263 F265 Y302	S48-N300 CarbonylContact O-C 3.53Å; S48-N300 WeakPolarHBondContact O-CA 3.33Å; S48-N300 PolarHBondContact OG-OD1 2.87Å; G49-N300 VanDerWaalsContact C-OD1 3.28Å; S50-N300 PolarHBondContact N-OD1 3.17Å; S50-N300 VanDerWaalsContact OG-CG 3.32Å; S50-N300 PolarHBondContact OG-ND2 3.41Å; S50-N300 PolarHBondContact OG-OD1 2.77Å; S50-N300 VanDerWaalsContact OG-OD1 3.06Å; Q77-N300 WeakPolarHBondContact CB-OD1 3.37Å; Q77-N300 VanDerWaalsContact CD-CG 3.47Å; Q77-N300 PolarHBondContact NE2-ND2 3.35Å; N262-N300 PolarHBondContact O-N 3.3Å; S263-N300 WeakPolarHBondContact O-CB 3.28Å; S263-N300 PolarHBondContact O-ND2 2.96Å; F265-N300 WeakPolarHBondContact CB-O 3.37Å; F265-N300 PolarHBondContact N-O 2.86Å; N300-Y302 PolarHBondContact O-N 3.01Å
301	L	98.9	Very high	98.6	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	110	175.7	-68.1	91.9	0	0	0	110.2	I47 S48 S50 L73 F265 T267 L289 M303 F304 I346	I47-L301 HydrophobicContact CG2-CD1 4.27Å; S48-L301 WeakPolarHBondContact O-CD1 3.35Å; S48-L301 PolarHBondContact O-N 2.75Å; S50-L301 PolarHBondContact N-O 2.97Å; L73-L301 HydrophobicContact CD2-CD1 4.18Å; F265-L301 HydrophobicContact CD1-CG 4.15Å; T267-L301 HydrophobicContact CG2-CB 3.75Å; T267-L301 HydrophobicContact CG2-CD2 3.89Å; T267-L301 HydrophobicContact CG2-CG 4.24Å; L289-L301 HydrophobicContact CD1-CD1 4.47Å; L289-L301 HydrophobicContact CD2-CD2 4.38Å; L301-M303 CarbonylContact O-C 3.52Å; L301-F304 HydrophobicContact CB-CD2 4.33Å; L301-F304 HydrophobicContact CD2-CD2 4.44Å; L301-F304 PolarHBondContact O-N 2.94Å; L301-I346 HydrophobicContact CD2-CD1 3.61Å; L301-I346 HydrophobicContact CD2-CG1 4.05Å; L301-I346 HydrophobicContact CD2-CG2 3.79Å
302	Y	98.9	Very high	98.7	Very high	5 Å²	5	14.5 Å²	14.5	2%	0.02	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	115.7	179.1	-169.8	-81.8	0	0	0	110.2	S50 H52 Y79 R117 E264 F265 Y266 T267 N300 Y327 Y329	S50-Y302 WeakPolarHBondContact OG-CD2 3.46Å; H52-Y302 AromaticContact CE1-CE2 3.88Å; H52-Y302 AromaticContact CE1-CZ 3.99Å; H52-Y302 PolarHBondContact CE1-OH 2.7Å; H52-Y302 AromaticContact NE2-CE2 3.82Å; Y79-Y302 AromaticContact CE2-CE2 3.99Å; Y79-Y302 HydrophobicContact CE2-CE2 3.99Å; R117-Y302 VanDerWaalsContact NH2-CE2 3.34Å; E264-Y302 HydrophobicContact CB-CG 4.22Å; E264-Y302 HydrophobicContact CG-CD2 4.09Å; E264-Y302 HydrophobicContact CG-CG 4.24Å; F265-Y302 PolarHBondContact O-N 2.8Å; Y266-Y302 CarbonylContact C-O 3.57Å; Y266-Y302 WeakPolarHBondContact CA-O 3.25Å; Y266-Y302 HydrophobicContact CD1-CD1 4.12Å; Y266-Y302 HydrophobicContact CE1-CD1 4.38Å; T267-Y302 PolarHBondContact N-O 2.69Å; T267-Y302 PolarHBondContact OG1-O 3.19Å; N300-Y302 PolarHBondContact O-N 3.01Å; Y302-Y327 PolarHBondContact OH-OH 2.96Å; Y302-Y327 VanDerWaalsContact OH-OH 3.1Å; Y302-Y329 HydrophobicContact CD1-CE1 4.38Å; Y302-Y329 HydrophobicContact CD1-CE2 4.46Å; Y302-Y329 AromaticContact CD1-CZ 3.89Å; Y302-Y329 HydrophobicContact CE1-CE2 4.16Å; Y302-Y329 VanDerWaalsContact O-CE1 3.27Å; Y302-Y329 WeakPolarHBondContact O-CE1 3.38Å
303	M	98.9	Very high	98.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-88.7	146.1	-13.7	-65	-57.8	-61.5	0	0	111	H52 T267 L301 I305 Y327 Y329 A331 P332	H52-M303 VanDerWaalsContact CE1-CE 3.47Å; H52-M303 WeakPolarHBondContact CE1-CE 3.4Å; H52-M303 VanDerWaalsContact CE1-SD 3.56Å; T267-M303 PolarHBondContact OG1-N 3.18Å; T267-M303 PolarHBondContact OG1-O 3.49Å; L301-M303 CarbonylContact O-C 3.52Å; M303-I305 WeakPolarHBondContact CE-O 3.2Å; M303-Y327 HydrophobicContact CE-CE1 4.47Å; M303-Y327 HydrophobicContact CG-CD1 4.43Å; M303-Y327 HydrophobicContact CG-CE1 3.62Å; M303-Y327 HydrophobicContact SD-CE1 4.04Å; M303-Y329 HydrophobicContact CB-CD1 3.93Å; M303-Y329 HydrophobicContact CB-CE1 4.44Å; M303-Y329 HydrophobicContact CB-CG 4.13Å; M303-Y329 HydrophobicContact CG-CD1 4.03Å; M303-Y329 HydrophobicContact CG-CD2 4.09Å; M303-Y329 HydrophobicContact CG-CE1 4.32Å; M303-Y329 HydrophobicContact CG-CE2 4.37Å; M303-Y329 HydrophobicContact CG-CG 3.92Å; M303-A331 HydrophobicContact CB-CB 4.23Å; M303-A331 WeakPolarHBondContact O-CB 3.44Å; M303-P332 WeakPolarHBondContact O-CD 3.29Å
304	F	98.9	Very high	98.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-38.4	165.6	-164	-83.3	0	0	0	111.4	S50 M68 A71 L73 L301 P332 L333 Y343 I346	S50-F304 PolarHBondContact O-N 3.01Å; M68-F304 HydrophobicContact CB-CD1 4.48Å; M68-F304 HydrophobicContact CB-CE1 4.4Å; M68-F304 HydrophobicContact CE-CB 4.07Å; M68-F304 HydrophobicContact CE-CD1 4.33Å; M68-F304 HydrophobicContact CE-CG 4.32Å; M68-F304 HydrophobicContact CG-CD1 3.45Å; M68-F304 VanDerWaalsContact CG-CD1 3.45Å; M68-F304 HydrophobicContact CG-CE1 3.71Å; M68-F304 HydrophobicContact CG-CG 4.27Å; M68-F304 HydrophobicContact SD-CD1 4.4Å; A71-F304 HydrophobicContact CB-CE1 4.44Å; A71-F304 HydrophobicContact CB-CE2 4.18Å; A71-F304 HydrophobicContact CB-CZ 3.53Å; L73-F304 HydrophobicContact CD1-CD1 4.34Å; L73-F304 HydrophobicContact CD1-CD2 3.62Å; L73-F304 HydrophobicContact CD1-CE1 4.4Å; L73-F304 HydrophobicContact CD1-CE2 3.7Å; L73-F304 HydrophobicContact CD1-CG 3.95Å; L73-F304 HydrophobicContact CD1-CZ 4.1Å; L73-F304 HydrophobicContact CD2-CE2 4.33Å; L73-F304 HydrophobicContact CG-CE2 4.22Å; L301-F304 HydrophobicContact CB-CD2 4.33Å; L301-F304 HydrophobicContact CD2-CD2 4.44Å; L301-F304 PolarHBondContact O-N 2.94Å; F304-P332 HydrophobicContact CD2-CB 4.36Å; F304-P332 HydrophobicContact CD2-CG 4.17Å; F304-P332 HydrophobicContact CE1-CB 4.45Å; F304-P332 HydrophobicContact CE2-CB 4.19Å; F304-P332 HydrophobicContact CE2-CG 4.36Å; F304-P332 HydrophobicContact CZ-CB 4.23Å; F304-P332 WeakPolarHBondContact O-CD 3.36Å; F304-L333 HydrophobicContact CD1-CD1 3.9Å; F304-L333 HydrophobicContact CD1-CG 4.05Å; F304-L333 HydrophobicContact CE1-CD1 3.76Å; F304-L333 HydrophobicContact CE1-CG 3.77Å; F304-L333 PolarHBondContact O-N 3.35Å; F304-Y343 AromaticContact CE1-CD2 3.97Å; F304-Y343 HydrophobicContact CE1-CD2 3.97Å; F304-Y343 HydrophobicContact CE1-CE2 4.09Å; F304-Y343 AromaticContact CZ-CD2 3.77Å; F304-Y343 HydrophobicContact CZ-CD2 3.77Å; F304-Y343 AromaticContact CZ-CE2 3.94Å; F304-Y343 HydrophobicContact CZ-CE2 3.94Å; F304-I346 HydrophobicContact CE2-CG2 4.32Å
305	I	98.9	Very high	98.7	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.005	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	128	162.2	-176.1	171.6	0	0	0	107.7	S50 I51 I56 R64 M68 M303 L333	S50-I305 PolarHBondContact O-N 2.85Å; I51-I305 HydrophobicContact CB-CG2 3.83Å; I51-I305 HydrophobicContact CD1-CG2 3.86Å; I51-I305 HydrophobicContact CG1-CG2 3.67Å; I56-I305 HydrophobicContact CD1-CD1 4.09Å; I56-I305 HydrophobicContact CD1-CG1 4.39Å; I56-I305 HydrophobicContact CD1-CG2 3.85Å; R64-I305 HydrophobicContact CB-CD1 4.27Å; R64-I305 HydrophobicContact CG-CD1 3.86Å; M68-I305 HydrophobicContact SD-CG2 4.43Å; M303-I305 WeakPolarHBondContact CE-O 3.2Å; I305-L333 HydrophobicContact CB-CB 3.86Å; I305-L333 HydrophobicContact CB-CD1 4.19Å; I305-L333 HydrophobicContact CD1-CB 4.17Å; I305-L333 HydrophobicContact CD1-CD1 4.46Å; I305-L333 HydrophobicContact CG1-CB 4.04Å
306	G	98.9	Very high	98.8	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.047	C	C	.	.			trans	-89	-45.6	178.2	0	0	0	0	0	113.5	R55 Y327	R55-G306 WeakPolarHBondContact CB-O 3.44Å; R55-G306 WeakPolarHBondContact CD-O 3.46Å; G306-Y327 CarbonylContact C-O 3.51Å; G306-Y327 VanDerWaalsContact C-O 3.25Å; G306-Y327 WeakPolarHBondContact CA-O 3.22Å
307	G	98.8	Very high	98.9	Very high	1 Å²	1	5 Å²	5	1%	0.01	3%	0.025	C	C	.	.			trans	83	-143	178.8	0	0	0	0	0	113.2	Y327	G307-Y327 PolarHBondContact N-O 2.93Å; G307-Y327 CarbonylContact O-C 3.54Å; G307-Y327 VanDerWaalsContact O-CA 3.24Å; G307-Y327 WeakPolarHBondContact O-CA 3.24Å; G307-Y327 WeakPolarHBondContact O-CB 3.27Å; G307-Y327 PolarHBondContact O-N 3.01Å
308	S	98.9	Very high	98.8	Very high	2 Å²	2	7.8 Å²	7.8	1%	0.014	5%	0.045	C	C	.	.	B	Isolated β-bridge	trans	-129.6	138.5	-175.1	-49.6	0	0	0	0	112.5	R55 F310 E335	R55-S308 WeakPolarHBondContact CA-O 3.21Å; R55-S308 WeakPolarHBondContact CB-O 3.45Å; R55-S308 PolarHBondContact O-N 3.31Å; S308-F310 VanDerWaalsContact C-N 3.26Å; S308-F310 PolarHBondContact O-N 2.95Å; S308-F310 VanDerWaalsContact O-N 3.08Å; S308-E335 WeakPolarHBondContact CB-OE1 3.39Å; S308-E335 WeakPolarHBondContact OG-CG 3.19Å; S308-E335 PolarHBondContact OG-OE1 2.62Å
309	N	98.9	Very high	98.7	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.079	C	C	.	.			trans	-78.7	72.3	164.6	-62.2	-49	0	0	0	109.9	R55 N314 P324 T325	R55-N309 PolarHBondContact NE-OD1 3.46Å; R55-N309 PolarHBondContact NH2-OD1 2.59Å; N309-N314 HydrophobicContact CB-CB 3.92Å; N309-P324 PolarHBondContact ND2-O 2.82Å; N309-T325 WeakPolarHBondContact CA-O 3.48Å; N309-T325 WeakPolarHBondContact CB-O 3.27Å; N309-T325 PolarHBondContact N-O 2.91Å
310	F	98.9	Very high	98.7	Very high	17 Å²	17	14.2 Å²	14.2	8%	0.075	8%	0.083	C	C	.	.			trans	-58.5	158.3	176.6	-65.5	-65.4	0	0	0	112.1	P57 S308 Y312 W313 F577 L579 F593 P595	P57-F310 HydrophobicContact CG-CE2 4.03Å; P57-F310 HydrophobicContact CG-CZ 4.21Å; S308-F310 VanDerWaalsContact C-N 3.26Å; S308-F310 PolarHBondContact O-N 2.95Å; S308-F310 VanDerWaalsContact O-N 3.08Å; F310-Y312 PolarHBondContact O-N 2.93Å; F310-Y312 VanDerWaalsContact O-N 3.14Å; F310-W313 PolarHBondContact O-N 3.02Å; F310-F577 HydrophobicContact CB-CE1 4.34Å; F310-F577 HydrophobicContact CB-CZ 4.19Å; F310-F577 AromaticContact CD1-CE1 3.53Å; F310-F577 HydrophobicContact CD1-CE1 3.53Å; F310-F577 AromaticContact CD1-CZ 3.91Å; F310-F577 HydrophobicContact CD1-CZ 3.91Å; F310-F577 HydrophobicContact CD2-CZ 4.16Å; F310-F577 AromaticContact CE1-CE1 3.9Å; F310-F577 HydrophobicContact CE1-CE1 3.9Å; F310-F577 HydrophobicContact CE1-CZ 4.31Å; F310-F577 AromaticContact CG-CE1 3.92Å; F310-F577 HydrophobicContact CG-CE1 3.92Å; F310-F577 AromaticContact CG-CZ 3.82Å; F310-F577 HydrophobicContact CG-CZ 3.82Å; F310-L579 WeakPolarHBondContact CD1-O 3.18Å; F310-L579 HydrophobicContact CE1-CD2 4.32Å; F310-F593 HydrophobicContact CZ-CD1 4.19Å; F310-P595 HydrophobicContact CZ-CG 4.45Å
311	G	98.6	Very high	98.6	Very high	8 Å²	8	15.9 Å²	15.9	8%	0.082	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	-116.4	179.5	0	0	0	0	0	113.6	Q571 N578 G580	G311-Q571 PolarHBondContact O-NE2 3.49Å; G311-N578 PolarHBondContact N-O 3.11Å; G311-G580 WeakPolarHBondContact O-CA 3.39Å
312	Y	98.9	Very high	98.6	Very high	13 Å²	13	16.1 Å²	16.1	5%	0.051	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	15	-176.6	-55	-64.3	0	0	0	113.1	F310 N314 F409 F411 D513 Q571	F310-Y312 PolarHBondContact O-N 2.93Å; F310-Y312 VanDerWaalsContact O-N 3.14Å; Y312-N314 VanDerWaalsContact C-N 3.31Å; Y312-N314 PolarHBondContact O-N 3.25Å; Y312-F409 HydrophobicContact CD2-CB 3.61Å; Y312-F409 HydrophobicContact CD2-CG 4.43Å; Y312-F409 HydrophobicContact CE2-CB 4.39Å; Y312-F409 HydrophobicContact CG-CB 3.93Å; Y312-F411 HydrophobicContact CE1-CE2 4.23Å; Y312-D513 VanDerWaalsContact CE2-OD2 3.28Å; Y312-D513 WeakPolarHBondContact CE2-OD2 3.36Å; Y312-Q571 VanDerWaalsContact CE1-CD 3.48Å; Y312-Q571 HydrophobicContact CE1-CG 4.25Å
313	W	98.9	Very high	98.6	Very high	26 Å²	26	16 Å²	16	10%	0.098	10%	0.099	C	C	.	.			trans	-79.2	-5.6	-166.2	-66.3	124.3	0	0	0	115.7	N83 Y84 E87 W126 D127 F310 F409	N83-W313 HydrophobicContact CB-CZ3 4.43Å; Y84-W313 HydrophobicContact CD2-CD2 4.31Å; Y84-W313 AromaticContact CD2-CE2 3.67Å; Y84-W313 HydrophobicContact CD2-CH2 4.15Å; Y84-W313 AromaticContact CD2-CZ2 3.61Å; Y84-W313 HydrophobicContact CD2-CZ2 3.61Å; Y84-W313 AromaticContact CD2-NE1 3.92Å; Y84-W313 HydrophobicContact CE2-CZ2 4.18Å; Y84-W313 AromaticContact CE2-NE1 3.8Å; E87-W313 HydrophobicContact CG-CH2 4.29Å; W126-W313 CarbonylContact C-O 3.58Å; W126-W313 WeakPolarHBondContact CA-O 3.39Å; W126-W313 HydrophobicContact CD2-CB 4.09Å; W126-W313 AromaticContact CE2-CD2 3.95Å; W126-W313 AromaticContact CE2-CE3 3.59Å; W126-W313 HydrophobicContact CE3-CB 3.87Å; W126-W313 HydrophobicContact CH2-CB 3.35Å; W126-W313 AromaticContact CH2-CD1 3.71Å; W126-W313 AromaticContact CH2-CD2 3.73Å; W126-W313 HydrophobicContact CH2-CD2 3.73Å; W126-W313 HydrophobicContact CH2-CE3 4.23Å; W126-W313 AromaticContact CH2-CG 3.3Å; W126-W313 HydrophobicContact CH2-CG 3.3Å; W126-W313 HydrophobicContact CZ2-CB 3.58Å; W126-W313 AromaticContact CZ2-CD2 3.26Å; W126-W313 HydrophobicContact CZ2-CD2 3.26Å; W126-W313 AromaticContact CZ2-CE3 3.32Å; W126-W313 HydrophobicContact CZ2-CE3 3.32Å; W126-W313 AromaticContact CZ2-CG 3.37Å; W126-W313 HydrophobicContact CZ2-CG 3.37Å; W126-W313 HydrophobicContact CZ2-CZ3 4.11Å; W126-W313 HydrophobicContact CZ3-CB 3.5Å; W126-W313 VanDerWaalsContact CZ3-CB 3.5Å; W126-W313 AromaticContact CZ3-CG 4Å; W126-W313 HydrophobicContact CZ3-CG 4Å; W126-W313 AromaticContact NE1-CE3 3.66Å; D127-W313 PolarHBondContact N-O 3.4Å; F310-W313 PolarHBondContact O-N 3.02Å; W313-F409 HydrophobicContact CE3-CE1 4.43Å; W313-F409 HydrophobicContact CE3-CZ 4.12Å; W313-F409 AromaticContact CH2-CE2 3.97Å; W313-F409 HydrophobicContact CH2-CE2 3.97Å; W313-F409 AromaticContact CH2-CZ 3.98Å; W313-F409 HydrophobicContact CH2-CZ 3.98Å; W313-F409 HydrophobicContact CZ3-CE1 4.22Å; W313-F409 AromaticContact CZ3-CE2 3.97Å; W313-F409 HydrophobicContact CZ3-CE2 3.97Å; W313-F409 AromaticContact CZ3-CZ 3.48Å; W313-F409 HydrophobicContact CZ3-CZ 3.48Å; W313-F409 VanDerWaalsContact CZ3-CZ 3.48Å
314	N	98.9	Very high	98.6	Very high	1 Å²	1	16 Å²	16	1%	0.005	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	-62.4	147.4	171.3	75.4	-83.7	0	0	0	110.2	N309 Y312 Q323 M476 G477 R581	N309-N314 HydrophobicContact CB-CB 3.92Å; Y312-N314 VanDerWaalsContact C-N 3.31Å; Y312-N314 PolarHBondContact O-N 3.25Å; N314-Q323 PolarHBondContact ND2-O 3.07Å; N314-M476 PolarHBondContact ND2-O 2.73Å; N314-G477 WeakPolarHBondContact O-CA 3.42Å; N314-R581 PolarHBondContact OD1-NE 3.14Å; N314-R581 PolarHBondContact OD1-NH2 2.89Å
315	G	98.9	Very high	98.6	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.1	C	C	.	.			trans	-98.2	-153.7	166.7	0	0	0	0	0	113.4	E125 Q323 R478 N480	E125-G315 PolarHBondContact O-N 2.93Å; G315-Q323 PolarHBondContact O-N 3.48Å; G315-Q323 PolarHBondContact O-OE1 3.06Å; G315-R478 CarbonylContact C-O 3.54Å; G315-R478 VanDerWaalsContact CA-O 3.24Å; G315-R478 WeakPolarHBondContact CA-O 3.49Å; G315-N480 VanDerWaalsContact CA-ND2 3.29Å; G315-N480 WeakPolarHBondContact CA-ND2 3.21Å
316	A	98.9	Very high	98.6	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	163.6	171.5	0	0	0	0	0	111.7	Y320 A321 A322 R478 I479 N480	A316-Y320 HydrophobicContact CB-CD2 4.03Å; A316-Y320 HydrophobicContact CB-CE2 3.49Å; A316-Y320 VanDerWaalsContact CB-CE2 3.49Å; A316-A321 CarbonylContact C-O 3.59Å; A316-A321 VanDerWaalsContact CA-O 3.25Å; A316-A321 WeakPolarHBondContact CA-O 3.42Å; A316-A321 WeakPolarHBondContact CB-O 3.21Å; A316-A322 HydrophobicContact CB-CB 4.41Å; A316-R478 PolarHBondContact N-O 3.42Å; A316-I479 HydrophobicContact CB-CG1 4.22Å; A316-I479 CarbonylContact O-C 3.49Å; A316-I479 VanDerWaalsContact O-CA 3.25Å; A316-I479 WeakPolarHBondContact O-CA 3.32Å; A316-N480 PolarHBondContact N-ND2 3.05Å; A316-N480 VanDerWaalsContact N-ND2 3.15Å; A316-N480 VanDerWaalsContact O-CG 3.26Å; A316-N480 PolarHBondContact O-N 3.15Å; A316-N480 PolarHBondContact O-ND2 2.76Å; A316-N480 PolarHBondContact O-OD1 3.32Å
317	N	98.7	Very high	98.6	Very high	28 Å²	28	16.8 Å²	16.8	15%	0.15	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	166.3	164.1	-60.2	126.4	0	0	0	111.5	H272 P319 Y320 A321 Q323 N480	H272-N317 PolarHBondContact CE1-OD1 3.09Å; H272-N317 PolarHBondContact NE2-OD1 3.09Å; N317-P319 CarbonylContact O-C 3.57Å; N317-P319 VanDerWaalsContact O-O 3.04Å; N317-Y320 CarbonylContact O-C 3.55Å; N317-Y320 WeakPolarHBondContact O-CA 3.49Å; N317-A321 PolarHBondContact N-O 2.86Å; N317-A321 PolarHBondContact O-N 2.83Å; N317-Q323 PolarHBondContact ND2-NE2 3.48Å; N317-Q323 PolarHBondContact OD1-NE2 2.86Å; N317-N480 PolarHBondContact ND2-OD1 2.89Å
318	S	96.6	Very high	98.6	Very high	59 Å²	59	17.6 Å²	17.6	41%	0.413	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	138.2	174.1	-167.4	0	0	0	0	110.7	D484	S318-D484 WeakPolarHBondContact CB-OD2 3.32Å; S318-D484 PolarHBondContact OG-OD2 2.96Å
319	P	96.7	Very high	98.6	Very high	113 Å²	113	17.9 Å²	17.9	73%	0.734	11%	0.108	S	C	*	.	T	Hydrogen-bonded Turn	cis	-56.6	147.8	-8.4	-21.6	32.8	0	0	0	112.2	N317 A321	N317-P319 CarbonylContact O-C 3.57Å; N317-P319 VanDerWaalsContact O-O 3.04Å; P319-A321 PolarHBondContact O-N 3.47Å
320	Y	98.7	Very high	98.6	Very high	24 Å²	24	19.5 Å²	19.5	9%	0.094	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	111.1	-162.7	-167.7	-98.3	0	0	0	114.3	A316 N317 D437 R453 N454 M476 G477 I479	A316-Y320 HydrophobicContact CB-CD2 4.03Å; A316-Y320 HydrophobicContact CB-CE2 3.49Å; A316-Y320 VanDerWaalsContact CB-CE2 3.49Å; N317-Y320 CarbonylContact O-C 3.55Å; N317-Y320 WeakPolarHBondContact O-CA 3.49Å; Y320-D437 HydrophobicContact CD1-CB 4.46Å; Y320-D437 HydrophobicContact CE1-CB 3.67Å; Y320-D437 WeakPolarHBondContact CE2-OD1 3.35Å; Y320-D437 VanDerWaalsContact CZ-OD1 3.3Å; Y320-D437 PolarHBondContact OH-OD2 3.18Å; Y320-R453 HydrophobicContact CD1-CB 4.38Å; Y320-R453 HydrophobicContact CD1-CG 4.48Å; Y320-R453 HydrophobicContact CG-CG 4.3Å; Y320-N454 WeakPolarHBondContact CB-ND2 3.39Å; Y320-N454 PolarHBondContact N-ND2 2.89Å; Y320-M476 HydrophobicContact CE1-CB 4.3Å; Y320-M476 WeakPolarHBondContact OH-CB 3.34Å; Y320-G477 WeakPolarHBondContact CE2-O 3.39Å; Y320-G477 PolarHBondContact OH-O 2.96Å; Y320-I479 HydrophobicContact CD2-CD1 4.21Å; Y320-I479 HydrophobicContact CD2-CG1 4Å; Y320-I479 HydrophobicContact CE2-CG1 4.32Å
321	A	98.6	Very high	98.6	Very high	35 Å²	35	18.8 Å²	18.8	29%	0.289	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	111.6	173.4	0	0	0	0	0	109.3	H272 A316 N317 P319	H272-A321 HydrophobicContact CB-CB 4.39Å; H272-A321 PolarHBondContact CD2-O 3.35Å; H272-A321 VanDerWaalsContact CD2-O 3.27Å; A316-A321 CarbonylContact C-O 3.59Å; A316-A321 VanDerWaalsContact CA-O 3.25Å; A316-A321 WeakPolarHBondContact CA-O 3.42Å; A316-A321 WeakPolarHBondContact CB-O 3.21Å; N317-A321 PolarHBondContact N-O 2.86Å; N317-A321 PolarHBondContact O-N 2.83Å; P319-A321 PolarHBondContact O-N 3.47Å
322	A	98.9	Very high	98.6	Very high	5 Å²	5	18.4 Å²	18.4	4%	0.041	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	135.6	178.2	0	0	0	0	0	111.3	W273 A316 M476	W273-A322 PolarHBondContact N-O 3.32Å; W273-A322 VanDerWaalsContact N-O 3.1Å; A316-A322 HydrophobicContact CB-CB 4.41Å; A322-M476 HydrophobicContact CB-CB 4.44Å; A322-M476 HydrophobicContact CB-CE 4.25Å
323	Q	98.9	Very high	98.6	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.009	11%	0.108	C	C	.	.			trans	-70.3	151.6	168.2	-65.9	92.3	2.3	0	0	110.6	E125 L270 D271 N314 G315 N317 N480	E125-Q323 HydrophobicContact CB-CG 4.07Å; E125-Q323 HydrophobicContact CG-CG 3.83Å; L270-Q323 HydrophobicContact CD1-CG 4.08Å; D271-Q323 WeakPolarHBondContact O-CA 3.44Å; D271-Q323 WeakPolarHBondContact O-CB 3.42Å; D271-Q323 WeakPolarHBondContact O-CG 3.18Å; N314-Q323 PolarHBondContact ND2-O 3.07Å; G315-Q323 PolarHBondContact O-N 3.48Å; G315-Q323 PolarHBondContact O-OE1 3.06Å; N317-Q323 PolarHBondContact ND2-NE2 3.48Å; N317-Q323 PolarHBondContact OD1-NE2 2.86Å; Q323-N480 PolarHBondContact OE1-ND2 3.4Å; Q323-N480 VanDerWaalsContact OE1-ND2 3.09Å
324	P	98.9	Very high	98.6	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.006	11%	0.108	C	C	.	.			trans	-75.8	176.4	-178.4	33.4	-36	0	0	0	113.7	D271 W273 N309 Q589	D271-P324 VanDerWaalsContact C-CD 3.44Å; D271-P324 HydrophobicContact CB-CG 3.5Å; D271-P324 WeakPolarHBondContact O-CD 3.38Å; W273-P324 HydrophobicContact CD2-CB 3.95Å; W273-P324 HydrophobicContact CE3-CB 4.28Å; W273-P324 HydrophobicContact CH2-CB 3.98Å; W273-P324 HydrophobicContact CZ2-CB 3.65Å; W273-P324 HydrophobicContact CZ3-CB 4.29Å; N309-P324 PolarHBondContact ND2-O 2.82Å; P324-Q589 HydrophobicContact CB-CB 4.39Å
325	T	98.9	Very high	98.6	Very high	3 Å²	3	17.6 Å²	17.6	2%	0.018	11%	0.11	C	C	.	.	S	Bend	trans	-67	-42.6	177.9	-59.9	0	0	0	0	110.7	N309 Y327 L579 R581 Q589 L592	N309-T325 WeakPolarHBondContact CA-O 3.48Å; N309-T325 WeakPolarHBondContact CB-O 3.27Å; N309-T325 PolarHBondContact N-O 2.91Å; T325-Y327 PolarHBondContact O-N 2.76Å; T325-L579 WeakPolarHBondContact CG2-O 3.39Å; T325-R581 WeakPolarHBondContact OG1-CA 3.49Å; T325-R581 PolarHBondContact OG1-N 3.37Å; T325-R581 PolarHBondContact OG1-O 2.93Å; T325-Q589 VanDerWaalsContact N-OE1 3.1Å; T325-L592 HydrophobicContact CG2-CD2 4.15Å; T325-L592 HydrophobicContact CG2-CG 4.31Å
326	S	98.9	Very high	98.6	Very high	7 Å²	7	17.6 Å²	17.6	5%	0.049	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-66.2	133.7	172.3	-175.5	0	0	0	0	109.7	D328 E335	S326-D328 WeakPolarHBondContact OG-CB 3.42Å; S326-D328 PolarHBondContact OG-N 2.81Å; S326-E335 VanDerWaalsContact CB-OE2 3.31Å; S326-E335 WeakPolarHBondContact CB-OE2 3.31Å; S326-E335 PolarHBondContact OG-OE2 2.83Å
327	Y	98.9	Very high	98.6	Very high	7 Å²	7	17.6 Å²	17.6	3%	0.027	11%	0.11	C	C	.	.			trans	-117.3	39.4	164.9	-160.4	-112.7	0	0	0	108.9	E125 Y302 M303 G306 G307 T325 Y329	E125-Y327 HydrophobicContact CB-CD2 4.4Å; E125-Y327 HydrophobicContact CB-CE2 3.6Å; E125-Y327 HydrophobicContact CG-CE2 3.97Å; E125-Y327 PolarHBondContact OE2-OH 2.9Å; Y302-Y327 PolarHBondContact OH-OH 2.96Å; Y302-Y327 VanDerWaalsContact OH-OH 3.1Å; M303-Y327 HydrophobicContact CE-CE1 4.47Å; M303-Y327 HydrophobicContact CG-CD1 4.43Å; M303-Y327 HydrophobicContact CG-CE1 3.62Å; M303-Y327 HydrophobicContact SD-CE1 4.04Å; G306-Y327 CarbonylContact C-O 3.51Å; G306-Y327 VanDerWaalsContact C-O 3.25Å; G306-Y327 WeakPolarHBondContact CA-O 3.22Å; G307-Y327 PolarHBondContact N-O 2.93Å; G307-Y327 CarbonylContact O-C 3.54Å; G307-Y327 VanDerWaalsContact O-CA 3.24Å; G307-Y327 WeakPolarHBondContact O-CA 3.24Å; G307-Y327 WeakPolarHBondContact O-CB 3.27Å; G307-Y327 PolarHBondContact O-N 3.01Å; T325-Y327 PolarHBondContact O-N 2.76Å; Y327-Y329 HydrophobicContact CE1-CD2 4.16Å; Y327-Y329 HydrophobicContact CE2-CD2 4.05Å; Y327-Y329 HydrophobicContact CE2-CE2 4.5Å; Y327-Y329 AromaticContact CZ-CD2 3.79Å; Y327-Y329 PolarHBondContact O-N 2.56Å
328	D	98.9	Very high	98.6	Very high	19 Å²	19	17.7 Å²	17.7	10%	0.102	11%	0.11	C	C	.	.			trans	-51.2	-39.3	176.1	-179.1	-91.3	0	0	0	112.2	S326 D330 A331 S334 E335 L632	S326-D328 WeakPolarHBondContact OG-CB 3.42Å; S326-D328 PolarHBondContact OG-N 2.81Å; D328-D330 PolarHBondContact O-N 3.49Å; D328-D330 WeakPolarHBondContact OD1-CA 3.41Å; D328-D330 PolarHBondContact OD1-N 3.47Å; D328-A331 VanDerWaalsContact O-CB 3.27Å; D328-A331 WeakPolarHBondContact O-CB 3.33Å; D328-A331 PolarHBondContact O-N 2.89Å; D328-S334 WeakPolarHBondContact OD2-CA 3.28Å; D328-E335 HydrophobicContact CB-CB 3.93Å; D328-E335 PolarHBondContact OD2-N 3.47Å; D328-L632 HydrophobicContact CB-CD1 3.54Å
329	Y	98.9	Very high	98.8	Very high	8 Å²	8	16.7 Å²	16.7	3%	0.031	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	1.7	175	-157.4	-95.9	0	0	0	114	G268 W269 L270 Y302 M303 Y327 A331	G268-Y329 CarbonylContact C-O 3.59Å; G268-Y329 WeakPolarHBondContact CA-O 3.36Å; G268-Y329 WeakPolarHBondContact O-CE1 3.37Å; W269-Y329 PolarHBondContact N-O 2.81Å; W269-Y329 VanDerWaalsContact N-O 3.14Å; L270-Y329 HydrophobicContact CB-CE2 4.48Å; Y302-Y329 HydrophobicContact CD1-CE1 4.38Å; Y302-Y329 HydrophobicContact CD1-CE2 4.46Å; Y302-Y329 AromaticContact CD1-CZ 3.89Å; Y302-Y329 HydrophobicContact CE1-CE2 4.16Å; Y302-Y329 VanDerWaalsContact O-CE1 3.27Å; Y302-Y329 WeakPolarHBondContact O-CE1 3.38Å; M303-Y329 HydrophobicContact CB-CD1 3.93Å; M303-Y329 HydrophobicContact CB-CE1 4.44Å; M303-Y329 HydrophobicContact CB-CG 4.13Å; M303-Y329 HydrophobicContact CG-CD1 4.03Å; M303-Y329 HydrophobicContact CG-CD2 4.09Å; M303-Y329 HydrophobicContact CG-CE1 4.32Å; M303-Y329 HydrophobicContact CG-CE2 4.37Å; M303-Y329 HydrophobicContact CG-CG 3.92Å; Y327-Y329 HydrophobicContact CE1-CD2 4.16Å; Y327-Y329 HydrophobicContact CE2-CD2 4.05Å; Y327-Y329 HydrophobicContact CE2-CE2 4.5Å; Y327-Y329 AromaticContact CZ-CD2 3.79Å; Y327-Y329 PolarHBondContact O-N 2.56Å; Y329-A331 PolarHBondContact O-N 2.93Å
330	D	98.8	Very high	98.9	Very high	33 Å²	33	13.3 Å²	13.3	18%	0.176	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	38.1	-161	-177.6	41.1	0	0	0	110.4	S278 V279 V280 D328 K342	S278-D330 WeakPolarHBondContact O-CB 3.46Å; V279-D330 WeakPolarHBondContact CA-OD2 3.26Å; V279-D330 WeakPolarHBondContact CG1-OD2 3.35Å; V280-D330 PolarHBondContact N-OD2 2.82Å; D328-D330 PolarHBondContact O-N 3.49Å; D328-D330 WeakPolarHBondContact OD1-CA 3.41Å; D328-D330 PolarHBondContact OD1-N 3.47Å; D330-K342 PolarHBondContact O-NZ 2.9Å; D330-K342 IonicContact OD1-NZ 2.78Å; D330-K342 PolarHBondContact OD1-NZ 3.42Å; D330-K342 IonicContact OD2-NZ 2.89Å; D330-K342 PolarHBondContact OD2-NZ 3.28Å
331	A	98.9	Very high	98.8	Very high	2 Å²	2	20.1 Å²	20.1	2%	0.017	11%	0.11	C	C	.	.			trans	-71.4	162	-179.5	0	0	0	0	0	112.1	M303 D328 Y329 L333	M303-A331 HydrophobicContact CB-CB 4.23Å; M303-A331 WeakPolarHBondContact O-CB 3.44Å; D328-A331 VanDerWaalsContact O-CB 3.27Å; D328-A331 WeakPolarHBondContact O-CB 3.33Å; D328-A331 PolarHBondContact O-N 2.89Å; Y329-A331 PolarHBondContact O-N 2.93Å; A331-L333 VanDerWaalsContact C-N 3.25Å; A331-L333 WeakPolarHBondContact CB-O 3.34Å; A331-L333 PolarHBondContact O-N 3.19Å
332	P	98.9	Very high	98.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	-53.9	-41.1	174.3	-26.9	35.7	0	0	0	113.1	T267 M303 F304 T340 K342 Y343 I346	T267-P332 HydrophobicContact CG2-CG 4.14Å; M303-P332 WeakPolarHBondContact O-CD 3.29Å; F304-P332 HydrophobicContact CD2-CB 4.36Å; F304-P332 HydrophobicContact CD2-CG 4.17Å; F304-P332 HydrophobicContact CE1-CB 4.45Å; F304-P332 HydrophobicContact CE2-CB 4.19Å; F304-P332 HydrophobicContact CE2-CG 4.36Å; F304-P332 HydrophobicContact CZ-CB 4.23Å; F304-P332 WeakPolarHBondContact O-CD 3.36Å; P332-T340 WeakPolarHBondContact O-CB 3.35Å; P332-T340 VanDerWaalsContact O-CG2 3.3Å; P332-T340 WeakPolarHBondContact O-CG2 3.4Å; P332-T340 PolarHBondContact O-OG1 3.29Å; P332-K342 HydrophobicContact CG-CD 4.31Å; P332-K342 HydrophobicContact CG-CG 4.33Å; P332-Y343 WeakPolarHBondContact O-CB 3.45Å; P332-I346 HydrophobicContact CB-CD1 3.89Å; P332-I346 HydrophobicContact CG-CD1 3.29Å
333	L	98.9	Very high	98.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.095	C	C	.	.	B	Isolated β-bridge	trans	-99.1	130.4	164.7	-62.6	176.7	0	0	0	109	K67 M68 F304 I305 A331 D338 L339 Y343	K67-L333 HydrophobicContact CB-CD1 3.92Å; K67-L333 HydrophobicContact CB-CD2 4.24Å; K67-L333 HydrophobicContact CD-CD1 4.49Å; K67-L333 HydrophobicContact CD-CD2 4.18Å; M68-L333 HydrophobicContact CG-CD1 4.36Å; F304-L333 HydrophobicContact CD1-CD1 3.9Å; F304-L333 HydrophobicContact CD1-CG 4.05Å; F304-L333 HydrophobicContact CE1-CD1 3.76Å; F304-L333 HydrophobicContact CE1-CG 3.77Å; F304-L333 PolarHBondContact O-N 3.35Å; I305-L333 HydrophobicContact CB-CB 3.86Å; I305-L333 HydrophobicContact CB-CD1 4.19Å; I305-L333 HydrophobicContact CD1-CB 4.17Å; I305-L333 HydrophobicContact CD1-CD1 4.46Å; I305-L333 HydrophobicContact CG1-CB 4.04Å; A331-L333 VanDerWaalsContact C-N 3.25Å; A331-L333 WeakPolarHBondContact CB-O 3.34Å; A331-L333 PolarHBondContact O-N 3.19Å; L333-D338 WeakPolarHBondContact CA-O 3.31Å; L333-L339 HydrophobicContact CD2-CD2 3.76Å; L333-Y343 HydrophobicContact CD2-CD2 3.62Å; L333-Y343 HydrophobicContact CD2-CE2 4Å; L333-Y343 HydrophobicContact CD2-CG 4.37Å; L333-Y343 HydrophobicContact CG-CD2 4.18Å
334	S	98.9	Very high	98.8	Very high	15 Å²	15	22.5 Å²	22.5	11%	0.105	11%	0.113	C	C	.	.			trans	-63.1	173.4	178	74	0	0	0	0	112.3	D328 A336 G337 D338	D328-S334 WeakPolarHBondContact OD2-CA 3.28Å; S334-A336 PolarHBondContact O-N 2.99Å; S334-A336 VanDerWaalsContact O-N 3.09Å; S334-A336 PolarHBondContact OG-N 3.36Å; S334-G337 WeakPolarHBondContact O-CA 3.49Å; S334-G337 PolarHBondContact O-N 3Å; S334-D338 PolarHBondContact N-O 2.87Å; S334-D338 WeakPolarHBondContact OG-CB 3.25Å; S334-D338 PolarHBondContact OG-N 3.46Å; S334-D338 VanDerWaalsContact OG-N 3.1Å; S334-D338 PolarHBondContact OG-OD2 3.43Å
335	E	98.9	Very high	98.8	Very high	8 Å²	8	23.8 Å²	23.8	4%	0.037	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.9	-40.8	173.2	174	169.6	-158.6	0	0	113.1	S308 S326 D328 F593	S308-E335 WeakPolarHBondContact CB-OE1 3.39Å; S308-E335 WeakPolarHBondContact OG-CG 3.19Å; S308-E335 PolarHBondContact OG-OE1 2.62Å; S326-E335 VanDerWaalsContact CB-OE2 3.31Å; S326-E335 WeakPolarHBondContact CB-OE2 3.31Å; S326-E335 PolarHBondContact OG-OE2 2.83Å; D328-E335 HydrophobicContact CB-CB 3.93Å; D328-E335 PolarHBondContact OD2-N 3.47Å; E335-F593 HydrophobicContact CG-CB 4.01Å; E335-F593 HydrophobicContact CG-CD1 4.45Å; E335-F593 HydrophobicContact CG-CG 4.39Å
336	A	98.8	Very high	98.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	5.7	-180	0	0	0	0	0	114.3	R64 S334 K367 Y561 F593	R64-A336 PolarHBondContact NH1-O 3.46Å; R64-A336 PolarHBondContact NH2-O 3.27Å; R64-A336 VanDerWaalsContact NH2-O 3.09Å; S334-A336 PolarHBondContact O-N 2.99Å; S334-A336 VanDerWaalsContact O-N 3.09Å; S334-A336 PolarHBondContact OG-N 3.36Å; A336-K367 VanDerWaalsContact CB-CE 3.47Å; A336-Y561 VanDerWaalsContact CB-OH 3.24Å; A336-Y561 WeakPolarHBondContact CB-OH 3.43Å; A336-F593 HydrophobicContact CB-CD2 3.93Å; A336-F593 HydrophobicContact CB-CE2 3.69Å; A336-F593 HydrophobicContact CB-CZ 4.13Å
337	G	98.8	Very high	98.8	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.125	C	C	.	.			trans	78.5	28.9	-179.5	0	0	0	0	0	114.2	K67 S334	K67-G337 PolarHBondContact NZ-O 2.82Å; S334-G337 WeakPolarHBondContact O-CA 3.49Å; S334-G337 PolarHBondContact O-N 3Å
338	D	98.9	Very high	98.8	Very high	30 Å²	30	28 Å²	28	16%	0.16	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-78.9	147.1	179.9	-51.5	-21.5	0	0	0	110.9	L333 S334 T340 T364 K367	L333-D338 WeakPolarHBondContact CA-O 3.31Å; S334-D338 PolarHBondContact N-O 2.87Å; S334-D338 WeakPolarHBondContact OG-CB 3.25Å; S334-D338 PolarHBondContact OG-N 3.46Å; S334-D338 VanDerWaalsContact OG-N 3.1Å; S334-D338 PolarHBondContact OG-OD2 3.43Å; D338-T340 PolarHBondContact O-N 3.48Å; D338-T364 WeakPolarHBondContact CA-OG1 3.39Å; D338-T364 HydrophobicContact CB-CG2 3.74Å; D338-T364 VanDerWaalsContact CG-CG2 3.47Å; D338-T364 VanDerWaalsContact OD1-CG2 3.22Å; D338-T364 WeakPolarHBondContact OD1-CG2 3.36Å; D338-K367 IonicContact OD1-NZ 2.99Å; D338-K367 PolarHBondContact OD1-NZ 3.43Å; D338-K367 IonicContact OD2-NZ 2.58Å
339	L	98.9	Very high	98.8	Very high	39 Å²	39	27.7 Å²	27.7	20%	0.204	14%	0.142	C	C	.	.	B	Isolated β-bridge	trans	-76.6	116.5	174.8	-55.7	178.6	0	0	0	110.1	K67 L333 Y343 F344 I361 T364	K67-L339 HydrophobicContact CD-CD2 4.04Å; K67-L339 HydrophobicContact CG-CD2 4.1Å; L333-L339 HydrophobicContact CD2-CD2 3.76Å; L339-Y343 HydrophobicContact CB-CD1 4.48Å; L339-Y343 HydrophobicContact CD2-CD1 3.99Å; L339-Y343 HydrophobicContact CD2-CD2 4.18Å; L339-Y343 HydrophobicContact CD2-CE1 3.82Å; L339-Y343 HydrophobicContact CD2-CE2 3.98Å; L339-Y343 HydrophobicContact CD2-CG 4.19Å; L339-F344 HydrophobicContact CB-CE2 3.97Å; L339-F344 HydrophobicContact CB-CZ 4.1Å; L339-F344 HydrophobicContact CD1-CZ 4.04Å; L339-I361 HydrophobicContact CD1-CB 4.24Å; L339-I361 HydrophobicContact CD1-CG2 3.76Å; L339-I361 HydrophobicContact CD2-CG2 3.9Å; L339-I361 HydrophobicContact CG-CG2 4.5Å; L339-T364 PolarHBondContact N-OG1 2.95Å; L339-T364 VanDerWaalsContact N-OG1 3.07Å
340	T	98.8	Very high	98.8	Very high	41 Å²	41	27.3 Å²	27.3	25%	0.252	14%	0.141	S	C	.	.	P	Polyproline II helix	trans	-101.2	170.6	-179.9	73.5	0	0	0	0	112.6	P332 D338 K342 Y343 F344	P332-T340 WeakPolarHBondContact O-CB 3.35Å; P332-T340 VanDerWaalsContact O-CG2 3.3Å; P332-T340 WeakPolarHBondContact O-CG2 3.4Å; P332-T340 PolarHBondContact O-OG1 3.29Å; D338-T340 PolarHBondContact O-N 3.48Å; T340-K342 PolarHBondContact O-N 3.36Å; T340-K342 PolarHBondContact OG1-N 2.86Å; T340-Y343 WeakPolarHBondContact O-CB 3.45Å; T340-Y343 PolarHBondContact O-N 2.78Å; T340-Y343 PolarHBondContact OG1-N 3.36Å; T340-F344 WeakPolarHBondContact O-CD2 3.37Å; T340-F344 PolarHBondContact O-N 3.35Å
341	E	98.4	Very high	98.7	Very high	167 Å²	167	31.5 Å²	31.5	78%	0.78	15%	0.154	S	C	*	.	H	α-helix	trans	-57.1	-35.3	169.5	-65.2	-176.2	174.7	0	0	112.3	F344 A345	E341-F344 PolarHBondContact O-N 3.23Å; E341-A345 WeakPolarHBondContact O-CB 3.19Å; E341-A345 PolarHBondContact O-N 3.44Å
342	K	98.8	Very high	98.7	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.017	18%	0.182	C	C	.	.	H	α-helix	trans	-66.1	-38.4	178.3	-170.5	177.1	-66.2	174.7	0	111.7	T267 V280 S282 D330 P332 T340 A345 I346	T267-K342 PolarHBondContact O-NZ 3.37Å; V280-K342 WeakPolarHBondContact O-CE 3.38Å; V280-K342 PolarHBondContact O-NZ 3.13Å; S282-K342 WeakPolarHBondContact OG-CB 3.4Å; D330-K342 PolarHBondContact O-NZ 2.9Å; D330-K342 IonicContact OD1-NZ 2.78Å; D330-K342 PolarHBondContact OD1-NZ 3.42Å; D330-K342 IonicContact OD2-NZ 2.89Å; D330-K342 PolarHBondContact OD2-NZ 3.28Å; P332-K342 HydrophobicContact CG-CD 4.31Å; P332-K342 HydrophobicContact CG-CG 4.33Å; T340-K342 PolarHBondContact O-N 3.36Å; T340-K342 PolarHBondContact OG1-N 2.86Å; K342-A345 PolarHBondContact O-N 2.94Å; K342-I346 HydrophobicContact CG-CD1 3.95Å; K342-I346 WeakPolarHBondContact O-CD1 3.37Å; K342-I346 WeakPolarHBondContact O-CG1 3.22Å; K342-I346 PolarHBondContact O-N 3.43Å
343	Y	98.9	Very high	98.6	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-57	-49.9	172.7	172.5	-85.5	0	0	0	111.8	K67 A71 F304 P332 L333 L339 T340 I346 R347 I361	K67-Y343 WeakPolarHBondContact O-CE2 3.26Å; K67-Y343 PolarHBondContact O-OH 3.12Å; A71-Y343 HydrophobicContact CB-CD2 4.36Å; A71-Y343 HydrophobicContact CB-CE2 3.63Å; A71-Y343 PolarHBondContact N-OH 2.77Å; F304-Y343 AromaticContact CE1-CD2 3.97Å; F304-Y343 HydrophobicContact CE1-CD2 3.97Å; F304-Y343 HydrophobicContact CE1-CE2 4.09Å; F304-Y343 AromaticContact CZ-CD2 3.77Å; F304-Y343 HydrophobicContact CZ-CD2 3.77Å; F304-Y343 AromaticContact CZ-CE2 3.94Å; F304-Y343 HydrophobicContact CZ-CE2 3.94Å; P332-Y343 WeakPolarHBondContact O-CB 3.45Å; L333-Y343 HydrophobicContact CD2-CD2 3.62Å; L333-Y343 HydrophobicContact CD2-CE2 4Å; L333-Y343 HydrophobicContact CD2-CG 4.37Å; L333-Y343 HydrophobicContact CG-CD2 4.18Å; L339-Y343 HydrophobicContact CB-CD1 4.48Å; L339-Y343 HydrophobicContact CD2-CD1 3.99Å; L339-Y343 HydrophobicContact CD2-CD2 4.18Å; L339-Y343 HydrophobicContact CD2-CE1 3.82Å; L339-Y343 HydrophobicContact CD2-CE2 3.98Å; L339-Y343 HydrophobicContact CD2-CG 4.19Å; T340-Y343 WeakPolarHBondContact O-CB 3.45Å; T340-Y343 PolarHBondContact O-N 2.78Å; T340-Y343 PolarHBondContact OG1-N 3.36Å; Y343-I346 PolarHBondContact O-N 3.24Å; Y343-R347 WeakPolarHBondContact O-CB 3.47Å; Y343-R347 PolarHBondContact O-N 3.33Å; Y343-I361 HydrophobicContact CE1-CD1 3.72Å; Y343-I361 HydrophobicContact CE1-CG2 4.32Å; Y343-I361 VanDerWaalsContact OH-CG2 3.32Å; Y343-I361 WeakPolarHBondContact OH-CG2 3.36Å
344	F	98.8	Very high	98.3	Very high	89 Å²	89	42.7 Å²	42.7	39%	0.39	21%	0.209	S	C	.	.	H	α-helix	trans	-67.1	-39.8	-179.5	-68.1	-70.2	0	0	0	112.1	L339 T340 E341 I346 R347 D348 I361	L339-F344 HydrophobicContact CB-CE2 3.97Å; L339-F344 HydrophobicContact CB-CZ 4.1Å; L339-F344 HydrophobicContact CD1-CZ 4.04Å; T340-F344 WeakPolarHBondContact O-CD2 3.37Å; T340-F344 PolarHBondContact O-N 3.35Å; E341-F344 PolarHBondContact O-N 3.23Å; F344-I346 PolarHBondContact O-N 3.29Å; F344-R347 PolarHBondContact O-N 3.15Å; F344-D348 WeakPolarHBondContact O-CB 3.35Å; F344-D348 PolarHBondContact O-N 3.39Å; F344-I361 HydrophobicContact CE1-CD1 3.97Å
345	A	98.8	Very high	98	Very high	27 Å²	27	51.8 Å²	51.8	22%	0.223	25%	0.247	C	C	.	.	H	α-helix	trans	-60.9	-43.8	176	0	0	0	0	0	112.7	A286 E341 K342 D348 V349	A286-A345 HydrophobicContact CB-CB 4.41Å; E341-A345 WeakPolarHBondContact O-CB 3.19Å; E341-A345 PolarHBondContact O-N 3.44Å; K342-A345 PolarHBondContact O-N 2.94Å; A345-D348 PolarHBondContact O-N 2.79Å; A345-V349 WeakPolarHBondContact O-CG2 3.25Å; A345-V349 PolarHBondContact O-N 2.7Å; A345-V349 VanDerWaalsContact O-N 3.11Å
346	I	98.8	Very high	97.9	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.1	-45.8	175.7	-74.6	161.1	0	0	0	110.7	V285 L289 L301 F304 P332 K342 Y343 F344 D348 V349 I350	V285-I346 HydrophobicContact CG1-CD1 4.03Å; V285-I346 HydrophobicContact CG1-CG1 4.16Å; L289-I346 HydrophobicContact CD2-CB 4.4Å; L289-I346 HydrophobicContact CD2-CG1 4.27Å; L289-I346 HydrophobicContact CD2-CG2 3.91Å; L301-I346 HydrophobicContact CD2-CD1 3.61Å; L301-I346 HydrophobicContact CD2-CG1 4.05Å; L301-I346 HydrophobicContact CD2-CG2 3.79Å; F304-I346 HydrophobicContact CE2-CG2 4.32Å; P332-I346 HydrophobicContact CB-CD1 3.89Å; P332-I346 HydrophobicContact CG-CD1 3.29Å; K342-I346 HydrophobicContact CG-CD1 3.95Å; K342-I346 WeakPolarHBondContact O-CD1 3.37Å; K342-I346 WeakPolarHBondContact O-CG1 3.22Å; K342-I346 PolarHBondContact O-N 3.43Å; Y343-I346 PolarHBondContact O-N 3.24Å; F344-I346 PolarHBondContact O-N 3.29Å; I346-D348 VanDerWaalsContact C-N 3.3Å; I346-D348 PolarHBondContact O-N 2.7Å; I346-V349 PolarHBondContact O-N 2.95Å; I346-V349 VanDerWaalsContact O-N 3.14Å; I346-I350 HydrophobicContact CG2-CD1 3.71Å; I346-I350 HydrophobicContact CG2-CG1 4.37Å; I346-I350 WeakPolarHBondContact O-CG1 3.4Å; I346-I350 PolarHBondContact O-N 3.28Å
347	R	98.6	Very high	97.8	Very high	27 Å²	27	53.6 Å²	53.6	10%	0.102	26%	0.259	C	S	.	.	H	α-helix	trans	-59	-41.2	178	-179.2	172.9	-174.2	-85.3	-3.4	112.2	M70 Y343 F344 V349 I350 R351 P357	M70-R347 WeakPolarHBondContact O-CD 3.3Å; M70-R347 PolarHBondContact O-NE 2.88Å; Y343-R347 WeakPolarHBondContact O-CB 3.47Å; Y343-R347 PolarHBondContact O-N 3.33Å; F344-R347 PolarHBondContact O-N 3.15Å; R347-V349 VanDerWaalsContact C-N 3.34Å; R347-I350 PolarHBondContact O-N 3.13Å; R347-R351 WeakPolarHBondContact O-CB 3.44Å; R347-R351 PolarHBondContact O-N 3.33Å; R347-P357 PolarHBondContact NH2-O 3.26Å
348	D	98.5	Very high	97.5	Very high	80 Å²	80	62.5 Å²	62.5	43%	0.428	30%	0.3	S	S	.	.	H	α-helix	trans	-66	-37.3	176.9	-73.5	-21.5	0	0	0	111.9	F344 A345 I346 R351	F344-D348 WeakPolarHBondContact O-CB 3.35Å; F344-D348 PolarHBondContact O-N 3.39Å; A345-D348 PolarHBondContact O-N 2.79Å; I346-D348 VanDerWaalsContact C-N 3.3Å; I346-D348 PolarHBondContact O-N 2.7Å; D348-R351 PolarHBondContact O-N 2.8Å; D348-R351 IonicContact OD1-CZ 3.51Å; D348-R351 IonicContact OD1-NH1 3.43Å; D348-R351 PolarHBondContact OD1-NH1 2.9Å
349	V	98.6	Very high	97.3	Very high	11 Å²	11	63.5 Å²	63.5	7%	0.067	32%	0.318	C	S	.	.	H	α-helix	trans	-63.4	-48.7	172.2	172.3	0	0	0	0	111.4	A286 L289 L293 A345 I346 R347 R351 M352 Y353	A286-V349 HydrophobicContact CB-CG2 3.89Å; L289-V349 HydrophobicContact CB-CG1 4.33Å; L289-V349 HydrophobicContact CD2-CB 4.18Å; L289-V349 HydrophobicContact CD2-CG1 3.89Å; L289-V349 HydrophobicContact CG-CG1 3.85Å; L293-V349 HydrophobicContact CD1-CG1 4.11Å; A345-V349 WeakPolarHBondContact O-CG2 3.25Å; A345-V349 PolarHBondContact O-N 2.7Å; A345-V349 VanDerWaalsContact O-N 3.11Å; I346-V349 PolarHBondContact O-N 2.95Å; I346-V349 VanDerWaalsContact O-N 3.14Å; R347-V349 VanDerWaalsContact C-N 3.34Å; V349-R351 VanDerWaalsContact C-N 3.25Å; V349-R351 PolarHBondContact O-N 2.97Å; V349-M352 HydrophobicContact CB-CE 4.11Å; V349-M352 HydrophobicContact CG1-CE 4.15Å; V349-M352 HydrophobicContact CG2-CE 3.96Å; V349-M352 WeakPolarHBondContact O-CB 3.31Å; V349-M352 PolarHBondContact O-N 3.24Å; V349-Y353 HydrophobicContact CG1-CE2 4.34Å; V349-Y353 WeakPolarHBondContact O-CD2 3.18Å
350	I	98.6	Very high	97.2	Very high	0 Å²	0	67.6 Å²	67.6	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-59.5	-38.5	-179.4	-67.5	170.2	0	0	0	111.4	I47 L73 L289 I346 R347 M352 Y353 S354 V356	I47-I350 HydrophobicContact CD1-CG1 4.46Å; I47-I350 HydrophobicContact CD1-CG2 4.1Å; I47-I350 HydrophobicContact CG2-CD1 3.88Å; I47-I350 HydrophobicContact CG2-CG1 4.07Å; L73-I350 HydrophobicContact CD2-CD1 3.82Å; L289-I350 HydrophobicContact CD2-CG1 4.45Å; I346-I350 HydrophobicContact CG2-CD1 3.71Å; I346-I350 HydrophobicContact CG2-CG1 4.37Å; I346-I350 WeakPolarHBondContact O-CG1 3.4Å; I346-I350 PolarHBondContact O-N 3.28Å; R347-I350 PolarHBondContact O-N 3.13Å; I350-M352 PolarHBondContact O-N 3.24Å; I350-Y353 PolarHBondContact O-N 2.89Å; I350-S354 VanDerWaalsContact CG2-OG 3.26Å; I350-S354 WeakPolarHBondContact CG2-OG 3.35Å; I350-S354 PolarHBondContact O-N 3.27Å; I350-S354 PolarHBondContact O-OG 2.87Å; I350-V356 HydrophobicContact CG2-CG1 4.05Å
351	R	97.6	Very high	97.1	Very high	122 Å²	122	67.2 Å²	67.2	46%	0.46	34%	0.343	S	S	.	.	H	α-helix	trans	-59.1	-27.7	176.6	-173.4	-171.9	-73.7	143.4	-19.1	113.3	R347 D348 V349 Y353 S354 V356	R347-R351 WeakPolarHBondContact O-CB 3.44Å; R347-R351 PolarHBondContact O-N 3.33Å; D348-R351 PolarHBondContact O-N 2.8Å; D348-R351 IonicContact OD1-CZ 3.51Å; D348-R351 IonicContact OD1-NH1 3.43Å; D348-R351 PolarHBondContact OD1-NH1 2.9Å; V349-R351 VanDerWaalsContact C-N 3.25Å; V349-R351 PolarHBondContact O-N 2.97Å; R351-Y353 PolarHBondContact O-N 2.9Å; R351-S354 WeakPolarHBondContact CA-O 3.5Å; R351-V356 HydrophobicContact CB-CG1 3.95Å; R351-V356 HydrophobicContact CB-CG2 4.34Å; R351-V356 HydrophobicContact CG-CG2 4.16Å
352	M	97.8	Very high	97.1	Very high	122 Å²	122	60.6 Å²	60.6	60%	0.601	32%	0.315	S	S	*	.	H	α-helix	trans	-69.5	-22.8	176.1	-61.5	-170.1	-78.8	0	0	113	V349 I350	V349-M352 HydrophobicContact CB-CE 4.11Å; V349-M352 HydrophobicContact CG1-CE 4.15Å; V349-M352 HydrophobicContact CG2-CE 3.96Å; V349-M352 WeakPolarHBondContact O-CB 3.31Å; V349-M352 PolarHBondContact O-N 3.24Å; I350-M352 PolarHBondContact O-N 3.24Å
353	Y	96.8	Very high	97.1	Very high	76 Å²	76	65 Å²	65	30%	0.298	34%	0.344	S	S	.	.	H	α-helix	trans	-117.3	-9.5	-172.8	-63.3	-86	0	0	0	114.2	R45 S290 L293 A294 V349 I350 R351	R45-Y353 PolarHBondContact NH2-O 2.8Å; S290-Y353 PolarHBondContact O-OH 3.32Å; S290-Y353 VanDerWaalsContact O-OH 3.1Å; S290-Y353 PolarHBondContact OG-OH 3.27Å; L293-Y353 HydrophobicContact CB-CD1 3.92Å; L293-Y353 HydrophobicContact CB-CD2 3.7Å; L293-Y353 HydrophobicContact CB-CE1 4Å; L293-Y353 HydrophobicContact CB-CE2 3.81Å; L293-Y353 HydrophobicContact CB-CG 3.78Å; L293-Y353 HydrophobicContact CD1-CD2 3.59Å; L293-Y353 HydrophobicContact CD1-CE2 4.15Å; L293-Y353 HydrophobicContact CD1-CG 4.1Å; L293-Y353 HydrophobicContact CG-CD2 4.31Å; A294-Y353 HydrophobicContact CB-CE1 4.23Å; V349-Y353 HydrophobicContact CG1-CE2 4.34Å; V349-Y353 WeakPolarHBondContact O-CD2 3.18Å; I350-Y353 PolarHBondContact O-N 2.89Å; R351-Y353 PolarHBondContact O-N 2.9Å
354	S	93.8	Very high	97	Very high	39 Å²	39	67.8 Å²	67.8	27%	0.273	36%	0.361	S	S	.	.	S	Bend	trans	-159.8	158.8	-176.8	59.5	0	0	0	0	111.4	I350 R351 V356	I350-S354 VanDerWaalsContact CG2-OG 3.26Å; I350-S354 WeakPolarHBondContact CG2-OG 3.35Å; I350-S354 PolarHBondContact O-N 3.27Å; I350-S354 PolarHBondContact O-OG 2.87Å; R351-S354 WeakPolarHBondContact CA-O 3.5Å; S354-V356 PolarHBondContact O-N 3.28Å
355	K	93.3	Very high	97	Very high	205 Å²	205	64.5 Å²	64.5	89%	0.891	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-71.6	125.6	171	-67.7	-176.2	-180	-179.1	0	109
356	V	96	Very high	96.9	Very high	23 Å²	23	66.9 Å²	66.9	14%	0.139	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-92.2	149.2	171	-59.4	0	0	0	0	109.8	I350 R351 S354	I350-V356 HydrophobicContact CG2-CG1 4.05Å; R351-V356 HydrophobicContact CB-CG1 3.95Å; R351-V356 HydrophobicContact CB-CG2 4.34Å; R351-V356 HydrophobicContact CG-CG2 4.16Å; S354-V356 PolarHBondContact O-N 3.28Å
357	P	96.4	Very high	96.9	Very high	23 Å²	23	68.6 Å²	68.6	15%	0.149	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-56.1	140.5	176.9	-28	37	0	0	0	113.1	Y69 M70 R347	Y69-P357 HydrophobicContact CD1-CB 4.19Å; Y69-P357 HydrophobicContact CD1-CG 3.75Å; Y69-P357 HydrophobicContact CD2-CG 4.41Å; Y69-P357 HydrophobicContact CE1-CB 3.66Å; Y69-P357 HydrophobicContact CE1-CG 3.36Å; Y69-P357 HydrophobicContact CE2-CG 4.07Å; Y69-P357 HydrophobicContact CG-CG 4.26Å; Y69-P357 WeakPolarHBondContact O-CG 3.33Å; M70-P357 HydrophobicContact CE-CB 4.15Å; M70-P357 HydrophobicContact SD-CB 3.67Å; M70-P357 HydrophobicContact SD-CG 4.48Å; R347-P357 PolarHBondContact NH2-O 3.26Å
358	E	93.4	Very high	96.9	Very high	187 Å²	187	72.3 Å²	72.3	87%	0.874	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-83.6	162.1	172.2	-64.3	-174.8	179.6	0	0	111.1
359	G	94	Very high	96.9	Very high	52 Å²	52	70.8 Å²	70.8	54%	0.536	38%	0.382	S	S	.	.	S	Bend	trans	99.3	176.8	179.6	0	0	0	0	0	114.2	M70	M70-G359 WeakPolarHBondContact CE-O 3.24Å
360	P	95.9	Very high	96.9	Very high	125 Å²	125	72 Å²	72	81%	0.812	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-71.5	138.8	-177.3	29.7	-34	0	0	0	111.1
361	I	98.2	Very high	96.9	Very high	33 Å²	33	73.3 Å²	73.3	17%	0.169	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-75.5	136.2	171	-50.4	-176.8	0	0	0	107.6	K67 M70 L339 Y343 F344	K67-I361 HydrophobicContact CG-CG2 4.42Å; M70-I361 HydrophobicContact CB-CB 4.48Å; M70-I361 HydrophobicContact CB-CG1 4.2Å; M70-I361 HydrophobicContact CB-CG2 4.09Å; M70-I361 HydrophobicContact CE-CG1 4.36Å; L339-I361 HydrophobicContact CD1-CB 4.24Å; L339-I361 HydrophobicContact CD1-CG2 3.76Å; L339-I361 HydrophobicContact CD2-CG2 3.9Å; L339-I361 HydrophobicContact CG-CG2 4.5Å; Y343-I361 HydrophobicContact CE1-CD1 3.72Å; Y343-I361 HydrophobicContact CE1-CG2 4.32Å; Y343-I361 VanDerWaalsContact OH-CG2 3.32Å; Y343-I361 WeakPolarHBondContact OH-CG2 3.36Å; F344-I361 HydrophobicContact CE1-CD1 3.97Å
362	P	98.1	Very high	96.9	Very high	27 Å²	27	71.4 Å²	71.4	18%	0.175	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-51.9	131.5	172.4	-24.4	32	0	0	0	110.4	L66 K67	L66-P362 HydrophobicContact CB-CG 3.81Å; K67-P362 WeakPolarHBondContact CE-O 3.17Å; K67-P362 HydrophobicContact CG-CB 4.06Å; K67-P362 HydrophobicContact CG-CG 4.26Å
363	P	97.9	Very high	96.9	Very high	97 Å²	97	66 Å²	66	63%	0.63	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-71.2	164	-171.7	29.3	-35.5	0	0	0	112.1	K67 T365	K67-P363 WeakPolarHBondContact CE-O 3.39Å; K67-P363 PolarHBondContact NZ-O 3.05Å; P363-T365 PolarHBondContact O-N 2.95Å
364	T	98	Very high	97	Very high	58 Å²	58	67 Å²	67	36%	0.356	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-55.1	134.4	161.4	-70.9	0	0	0	0	109.7	D338 L339	D338-T364 WeakPolarHBondContact CA-OG1 3.39Å; D338-T364 HydrophobicContact CB-CG2 3.74Å; D338-T364 VanDerWaalsContact CG-CG2 3.47Å; D338-T364 VanDerWaalsContact OD1-CG2 3.22Å; D338-T364 WeakPolarHBondContact OD1-CG2 3.36Å; L339-T364 PolarHBondContact N-OG1 2.95Å; L339-T364 VanDerWaalsContact N-OG1 3.07Å
365	T	97.8	Very high	97.1	Very high	21 Å²	21	65.3 Å²	65.3	13%	0.129	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-65.3	140.1	177.9	55.9	0	0	0	0	109.8	P363 K367 D559	P363-T365 PolarHBondContact O-N 2.95Å; T365-K367 PolarHBondContact O-NZ 3.4Å; T365-K367 PolarHBondContact OG1-NZ 2.83Å; T365-D559 WeakPolarHBondContact CB-OD2 3.46Å; T365-D559 PolarHBondContact OG1-OD2 3.12Å
366	P	97.9	Very high	97.1	Very high	76 Å²	76	61.3 Å²	61.3	49%	0.494	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-64.6	144.1	176.7	30.6	-36.3	0	0	0	109.8	Q558	P366-Q558 HydrophobicContact CB-CG 4.31Å; P366-Q558 HydrophobicContact CG-CG 3.94Å
367	K	98.5	Very high	97	Very high	36 Å²	36	65.3 Å²	65.3	16%	0.157	38%	0.38	C	S	.	.	B	Isolated β-bridge	trans	-115.6	129.1	179.6	-55.6	-60.2	-172	-71.9	0	109.5	A336 D338 T365 D559 Y561 N628	A336-K367 VanDerWaalsContact CB-CE 3.47Å; D338-K367 IonicContact OD1-NZ 2.99Å; D338-K367 PolarHBondContact OD1-NZ 3.43Å; D338-K367 IonicContact OD2-NZ 2.58Å; T365-K367 PolarHBondContact O-NZ 3.4Å; T365-K367 PolarHBondContact OG1-NZ 2.83Å; K367-D559 CarbonylContact C-O 3.58Å; K367-D559 VanDerWaalsContact CA-O 3.25Å; K367-D559 WeakPolarHBondContact CA-O 3.43Å; K367-D559 HydrophobicContact CD-CB 3.48Å; K367-D559 VanDerWaalsContact CD-CB 3.48Å; K367-Y561 HydrophobicContact CD-CE2 3.93Å; K367-Y561 HydrophobicContact CG-CE2 4.19Å; K367-N628 HydrophobicContact CB-CB 3.86Å; K367-N628 WeakPolarHBondContact CB-O 3.33Å; K367-N628 WeakPolarHBondContact O-CB 3.1Å
368	Y	98.4	Very high	96.9	Very high	105 Å²	105	65 Å²	65	41%	0.412	38%	0.377	S	S	.	.			trans	-113.5	137.8	-179.4	-163	-94.9	0	0	0	111.7	Y370 L556 D559 T560	Y368-Y370 AromaticContact CD1-CD1 3.43Å; Y368-Y370 HydrophobicContact CD1-CD1 3.43Å; Y368-Y370 VanDerWaalsContact CD1-CD1 3.43Å; Y368-Y370 HydrophobicContact CD1-CD2 4.15Å; Y368-Y370 AromaticContact CD1-CE1 3.51Å; Y368-Y370 HydrophobicContact CD1-CE1 3.51Å; Y368-Y370 HydrophobicContact CD1-CE2 4.24Å; Y368-Y370 AromaticContact CD1-CG 3.77Å; Y368-Y370 HydrophobicContact CD1-CG 3.77Å; Y368-Y370 AromaticContact CD1-CZ 3.94Å; Y368-Y370 AromaticContact CE1-CD1 3.77Å; Y368-Y370 HydrophobicContact CE1-CD1 3.77Å; Y368-Y370 HydrophobicContact CE1-CE1 4.08Å; Y368-Y370 HydrophobicContact CE1-CG 4.32Å; Y368-Y370 HydrophobicContact CG-CE1 4.3Å; Y368-L556 HydrophobicContact CD1-CD2 4.48Å; Y368-L556 HydrophobicContact CD2-CD2 4.24Å; Y368-L556 HydrophobicContact CG-CD2 4.2Å; Y368-D559 PolarHBondContact N-O 2.79Å; Y368-T560 WeakPolarHBondContact O-CB 3.46Å; Y368-T560 PolarHBondContact O-OG1 2.86Å
369	A	98.5	Very high	96.8	Very high	48 Å²	48	56.8 Å²	56.8	40%	0.397	34%	0.338	S	S	.	.			trans	-94.9	93.3	173.5	0	0	0	0	0	108.9	G371 F626 N628	A369-G371 PolarHBondContact O-N 3.2Å; A369-G371 VanDerWaalsContact O-N 3.16Å; A369-F626 CarbonylContact C-O 3.56Å; A369-F626 WeakPolarHBondContact CA-O 3.5Å; A369-N628 HydrophobicContact CB-CB 4.25Å
370	Y	98.4	Very high	96.9	Very high	38 Å²	38	55.4 Å²	55.4	15%	0.149	32%	0.319	C	S	.	.			trans	-68.1	-8.4	178.2	-59.2	-81.9	0	0	0	113.2	Y368 F547 I549 L556 Q558 T560 L599 F626	Y368-Y370 AromaticContact CD1-CD1 3.43Å; Y368-Y370 HydrophobicContact CD1-CD1 3.43Å; Y368-Y370 VanDerWaalsContact CD1-CD1 3.43Å; Y368-Y370 HydrophobicContact CD1-CD2 4.15Å; Y368-Y370 AromaticContact CD1-CE1 3.51Å; Y368-Y370 HydrophobicContact CD1-CE1 3.51Å; Y368-Y370 HydrophobicContact CD1-CE2 4.24Å; Y368-Y370 AromaticContact CD1-CG 3.77Å; Y368-Y370 HydrophobicContact CD1-CG 3.77Å; Y368-Y370 AromaticContact CD1-CZ 3.94Å; Y368-Y370 AromaticContact CE1-CD1 3.77Å; Y368-Y370 HydrophobicContact CE1-CD1 3.77Å; Y368-Y370 HydrophobicContact CE1-CE1 4.08Å; Y368-Y370 HydrophobicContact CE1-CG 4.32Å; Y368-Y370 HydrophobicContact CG-CE1 4.3Å; Y370-F547 HydrophobicContact CD1-CE2 4.18Å; Y370-F547 HydrophobicContact CD2-CE2 4.38Å; Y370-F547 HydrophobicContact CG-CD2 4.47Å; Y370-F547 HydrophobicContact CG-CE2 4.01Å; Y370-I549 HydrophobicContact CD1-CD1 4.34Å; Y370-I549 HydrophobicContact CD1-CG1 4.09Å; Y370-I549 HydrophobicContact CE1-CD1 3.64Å; Y370-I549 HydrophobicContact CE1-CG1 3.71Å; Y370-I549 HydrophobicContact CE1-CG2 4.18Å; Y370-L556 HydrophobicContact CE1-CD2 4.17Å; Y370-Q558 PolarHBondContact OH-N 2.71Å; Y370-Q558 PolarHBondContact OH-O 2.97Å; Y370-T560 HydrophobicContact CD2-CG2 3.75Å; Y370-T560 HydrophobicContact CE2-CG2 3.67Å; Y370-L599 HydrophobicContact CE2-CD1 3.82Å; Y370-F626 HydrophobicContact CD2-CB 4.18Å; Y370-F626 HydrophobicContact CD2-CG 4.41Å; Y370-F626 HydrophobicContact CG-CB 4.49Å; Y370-F626 PolarHBondContact N-O 2.79Å
371	G	97.8	Very high	97	Very high	26 Å²	26	49.5 Å²	49.5	27%	0.268	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	83	-160.4	173.9	0	0	0	0	0	113.1	A369 F626	A369-G371 PolarHBondContact O-N 3.2Å; A369-G371 VanDerWaalsContact O-N 3.16Å; G371-F626 PolarHBondContact N-O 3.37Å; G371-F626 VanDerWaalsContact N-O 3.14Å; G371-F626 PolarHBondContact O-N 3.1Å
372	S	97.9	Very high	96.9	Very high	83 Å²	83	49.3 Å²	49.3	58%	0.58	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.7	136.2	-174.8	-66.4	0	0	0	0	112.3	I624	S372-I624 CarbonylContact C-O 3.57Å; S372-I624 VanDerWaalsContact CA-O 3.28Å; S372-I624 WeakPolarHBondContact CA-O 3.25Å
373	V	98.3	Very high	96.7	Very high	7 Å²	7	50.3 Å²	50.3	4%	0.042	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	124.4	170.4	178.3	0	0	0	0	108.8	M375 F547 T623 I624 F626	V373-M375 HydrophobicContact CG1-SD 4.2Å; V373-F547 HydrophobicContact CG2-CB 3.78Å; V373-F547 HydrophobicContact CG2-CD1 3.93Å; V373-F547 HydrophobicContact CG2-CG 4.04Å; V373-T623 CarbonylContact O-C 3.53Å; V373-T623 WeakPolarHBondContact O-CA 3.22Å; V373-T623 WeakPolarHBondContact O-CB 3.45Å; V373-I624 HydrophobicContact CB-CD1 4.43Å; V373-I624 HydrophobicContact CB-CG1 3.91Å; V373-I624 PolarHBondContact N-O 3.47Å; V373-I624 PolarHBondContact O-N 3.27Å; V373-F626 HydrophobicContact CG2-CD2 3.88Å; V373-F626 HydrophobicContact CG2-CE2 3.68Å
374	T	97.6	Very high	96.6	Very high	97 Å²	97	45.7 Å²	45.7	60%	0.595	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.8	131.8	174	-55.6	0	0	0	0	110.2	G545	T374-G545 WeakPolarHBondContact O-CA 3.34Å
375	M	96.9	Very high	96.5	Very high	4 Å²	4	43.4 Å²	43.4	2%	0.02	24%	0.244	C	C	.	.			trans	-105.4	144.6	179.3	-55	-56.2	-67.7	0	0	109.6	V373 N544 W567 V607 V609 C622 I624	V373-M375 HydrophobicContact CG1-SD 4.2Å; M375-N544 CarbonylContact C-O 3.6Å; M375-N544 WeakPolarHBondContact CA-O 3.37Å; M375-W567 HydrophobicContact CB-CH2 4.33Å; M375-W567 HydrophobicContact CB-CZ2 4.03Å; M375-W567 HydrophobicContact CG-CH2 4.45Å; M375-W567 HydrophobicContact CG-CZ2 3.87Å; M375-V607 HydrophobicContact CE-CB 4.33Å; M375-V607 HydrophobicContact CE-CG1 4.05Å; M375-V607 HydrophobicContact SD-CG1 4.47Å; M375-V609 HydrophobicContact CE-CB 4.27Å; M375-V609 HydrophobicContact CE-CG2 3.85Å; M375-C622 PolarHBondContact N-O 2.93Å; M375-C622 PolarHBondContact O-SG 3.09Å; M375-I624 HydrophobicContact CG-CG1 4.4Å; M375-I624 HydrophobicContact CG-CG2 4.05Å; M375-I624 HydrophobicContact SD-CD1 4.36Å; M375-I624 HydrophobicContact SD-CG1 3.91Å; M375-I624 HydrophobicContact SD-CG2 4.32Å
376	Q	94.1	Very high	96.3	Very high	122 Å²	122	50.9 Å²	50.9	57%	0.57	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.1	134.3	175.4	-62.1	-174.3	4.7	0	0	108.8	L378 Y543 N544	Q376-L378 PolarHBondContact O-N 2.81Å; Q376-Y543 CarbonylContact O-C 3.47Å; Q376-Y543 WeakPolarHBondContact O-CA 3.5Å; Q376-N544 PolarHBondContact N-O 2.84Å; Q376-N544 PolarHBondContact O-N 2.92Å
377	K	93.6	Very high	96.2	Very high	107 Å²	107	49.8 Å²	49.8	47%	0.465	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	124.6	175	-169.7	173.4	-174.5	167.8	0	108.8	A541 Y543	K377-A541 HydrophobicContact CG-CB 4.5Å; K377-Y543 HydrophobicContact CB-CD1 3.79Å; K377-Y543 HydrophobicContact CB-CE1 3.55Å; K377-Y543 HydrophobicContact CD-CE1 4.17Å; K377-Y543 HydrophobicContact CG-CD1 4.26Å; K377-Y543 HydrophobicContact CG-CE1 3.79Å; K377-Y543 HydrophobicContact CG-CE2 4.49Å
378	L	92.7	Very high	96.1	Very high	15 Å²	15	48 Å²	48	8%	0.079	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-67.6	175.4	-67.6	-175.9	0	0	0	110.3	Q376 L521 E523 F542 N544	Q376-L378 PolarHBondContact O-N 2.81Å; L378-L521 HydrophobicContact CD1-CB 3.92Å; L378-E523 HydrophobicContact CD2-CG 3.96Å; L378-F542 HydrophobicContact CB-CB 4.36Å; L378-F542 PolarHBondContact N-O 2.67Å; L378-N544 HydrophobicContact CD1-CB 3.74Å; L378-N544 HydrophobicContact CD2-CB 3.82Å; L378-N544 HydrophobicContact CG-CB 3.75Å
379	Q	93.1	Very high	96	Very high	15 Å²	15	43.4 Å²	43.4	7%	0.07	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	162	-176	55.7	178.4	-16.6	0	0	110.7	A384 Q524 A541 F542	Q379-A384 HydrophobicContact CG-CB 4.06Å; Q379-Q524 HydrophobicContact CB-CG 4.39Å; Q379-A541 WeakPolarHBondContact O-CA 3.36Å; Q379-F542 PolarHBondContact O-N 2.9Å
380	T	96.1	Very high	95.9	Very high	23 Å²	23	46.1 Å²	46.1	14%	0.141	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	159.2	173.9	68	0	0	0	0	111.4	L382 S383 A384 L539 P540 A541	T380-L382 PolarHBondContact O-N 2.9Å; T380-S383 PolarHBondContact N-OG 3.31Å; T380-S383 PolarHBondContact O-N 3.27Å; T380-S383 PolarHBondContact O-OG 2.89Å; T380-S383 WeakPolarHBondContact OG1-CB 3.44Å; T380-S383 PolarHBondContact OG1-N 3.35Å; T380-S383 PolarHBondContact OG1-OG 3.27Å; T380-A384 WeakPolarHBondContact O-CB 3.42Å; T380-A384 PolarHBondContact O-N 2.83Å; T380-L539 HydrophobicContact CG2-CB 4.16Å; T380-L539 HydrophobicContact CG2-CD1 3.91Å; T380-P540 WeakPolarHBondContact CA-O 3.21Å; T380-A541 HydrophobicContact CG2-CB 4.38Å
381	V	97.4	Very high	95.7	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.006	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-37.5	170.9	175.8	0	0	0	0	110.8	A384 V385 L388 L472 L510 P540 F542 L610	V381-A384 CarbonylContact O-C 3.48Å; V381-A384 PolarHBondContact O-N 2.91Å; V381-V385 PolarHBondContact O-N 3.22Å; V381-V385 VanDerWaalsContact O-N 3.17Å; V381-L388 HydrophobicContact CG1-CD1 4.11Å; V381-L472 HydrophobicContact CB-CD2 4.43Å; V381-L472 HydrophobicContact CG1-CD1 4.01Å; V381-L472 HydrophobicContact CG1-CD2 4.23Å; V381-L472 HydrophobicContact CG2-CD2 4.18Å; V381-L510 HydrophobicContact CG1-CD1 3.88Å; V381-P540 HydrophobicContact CB-CB 4.35Å; V381-P540 HydrophobicContact CG2-CB 3.84Å; V381-P540 PolarHBondContact N-O 3.42Å; V381-F542 HydrophobicContact CG2-CD2 4.48Å; V381-F542 HydrophobicContact CG2-CE2 3.79Å; V381-F542 HydrophobicContact CG2-CZ 4.32Å; V381-L610 HydrophobicContact CG2-CD1 3.63Å
382	L	95.9	Very high	95.6	Very high	29 Å²	29	48.6 Å²	48.6	15%	0.152	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-42.7	-178.9	-58	-175.6	0	0	0	112.5	T380 A384 V385 L413 D470 L539	T380-L382 PolarHBondContact O-N 2.9Å; L382-A384 VanDerWaalsContact C-N 3.31Å; L382-V385 WeakPolarHBondContact O-CG1 3.41Å; L382-L413 HydrophobicContact CD2-CD1 3.77Å; L382-L413 HydrophobicContact CD2-CD2 3.98Å; L382-D470 HydrophobicContact CD1-CB 4.28Å; L382-D470 HydrophobicContact CD2-CB 3.77Å; L382-L539 HydrophobicContact CD1-CD1 4.43Å; L382-L539 HydrophobicContact CD1-CD2 4.05Å
383	S	94.7	Very high	95.6	Very high	49 Å²	49	47.9 Å²	47.9	34%	0.343	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-26.2	176.1	55.4	0	0	0	0	112.8	T380	T380-S383 PolarHBondContact N-OG 3.31Å; T380-S383 PolarHBondContact O-N 3.27Å; T380-S383 PolarHBondContact O-OG 2.89Å; T380-S383 WeakPolarHBondContact OG1-CB 3.44Å; T380-S383 PolarHBondContact OG1-N 3.35Å; T380-S383 PolarHBondContact OG1-OG 3.27Å
384	A	95.7	Very high	95.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	2.5	179.8	0	0	0	0	0	113.7	Q379 T380 V381 L382 E386 T387 L388 L521	Q379-A384 HydrophobicContact CG-CB 4.06Å; T380-A384 WeakPolarHBondContact O-CB 3.42Å; T380-A384 PolarHBondContact O-N 2.83Å; V381-A384 CarbonylContact O-C 3.48Å; V381-A384 PolarHBondContact O-N 2.91Å; L382-A384 VanDerWaalsContact C-N 3.31Å; A384-E386 VanDerWaalsContact C-N 3.28Å; A384-E386 PolarHBondContact O-N 3.32Å; A384-T387 CarbonylContact O-C 3.54Å; A384-T387 WeakPolarHBondContact O-CA 3.3Å; A384-T387 WeakPolarHBondContact O-CB 3.27Å; A384-T387 PolarHBondContact O-N 3.02Å; A384-L388 HydrophobicContact CB-CD1 3.81Å; A384-L388 HydrophobicContact CB-CG 3.99Å; A384-L388 WeakPolarHBondContact O-CB 3.08Å; A384-L388 VanDerWaalsContact O-CG 3.28Å; A384-L388 WeakPolarHBondContact O-CG 3.27Å; A384-L388 PolarHBondContact O-N 2.95Å; A384-L521 HydrophobicContact CB-CD2 4.4Å
385	V	96.1	Very high	95.6	Very high	10 Å²	10	53.3 Å²	53.3	6%	0.061	28%	0.283	C	S	.	.	H	α-helix	trans	-57.5	-38.5	-168	70.4	0	0	0	0	113.3	V381 L382 L388 S389 L413 Y508 L510	V381-V385 PolarHBondContact O-N 3.22Å; V381-V385 VanDerWaalsContact O-N 3.17Å; L382-V385 WeakPolarHBondContact O-CG1 3.41Å; V385-L388 PolarHBondContact O-N 3.25Å; V385-S389 WeakPolarHBondContact O-CB 3.4Å; V385-S389 PolarHBondContact O-N 3.11Å; V385-L413 HydrophobicContact CB-CD2 4.47Å; V385-L413 HydrophobicContact CG2-CD2 3.84Å; V385-Y508 HydrophobicContact CG2-CD1 3.54Å; V385-Y508 HydrophobicContact CG2-CD2 3.98Å; V385-Y508 HydrophobicContact CG2-CE1 3.93Å; V385-Y508 HydrophobicContact CG2-CE2 4.36Å; V385-Y508 HydrophobicContact CG2-CG 3.56Å; V385-L510 HydrophobicContact CG2-CD2 4.35Å
386	E	93	Very high	95.7	Very high	178 Å²	178	54.9 Å²	54.9	83%	0.832	29%	0.294	S	S	*	.	H	α-helix	trans	-68.9	-37.2	178.1	-63.7	-176.8	172.7	0	0	111.7	A384	A384-E386 VanDerWaalsContact C-N 3.28Å; A384-E386 PolarHBondContact O-N 3.32Å
387	T	94.8	Very high	95.9	Very high	52 Å²	52	53.2 Å²	53.2	32%	0.319	29%	0.292	S	S	.	.	H	α-helix	trans	-69.8	-33.5	173.8	-51.1	0	0	0	0	111.8	A384 F390 L520	A384-T387 CarbonylContact O-C 3.54Å; A384-T387 WeakPolarHBondContact O-CA 3.3Å; A384-T387 WeakPolarHBondContact O-CB 3.27Å; A384-T387 PolarHBondContact O-N 3.02Å; T387-F390 WeakPolarHBondContact O-CE1 3.22Å; T387-L520 HydrophobicContact CG2-CB 3.65Å
388	L	97.3	Very high	96.2	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-86.5	-27.4	-175.5	-67.6	175.2	0	0	0	113.1	V381 A384 V385 L510 S511 I512 A515 L521 F542	V381-L388 HydrophobicContact CG1-CD1 4.11Å; A384-L388 HydrophobicContact CB-CD1 3.81Å; A384-L388 HydrophobicContact CB-CG 3.99Å; A384-L388 WeakPolarHBondContact O-CB 3.08Å; A384-L388 VanDerWaalsContact O-CG 3.28Å; A384-L388 WeakPolarHBondContact O-CG 3.27Å; A384-L388 PolarHBondContact O-N 2.95Å; V385-L388 PolarHBondContact O-N 3.25Å; L388-L510 HydrophobicContact CB-CB 4.37Å; L388-L510 HydrophobicContact CB-CD2 4Å; L388-S511 PolarHBondContact O-N 2.81Å; L388-I512 HydrophobicContact CD1-CG1 4.3Å; L388-I512 HydrophobicContact CD2-CG1 3.86Å; L388-A515 HydrophobicContact CD2-CB 3.71Å; L388-L521 HydrophobicContact CD2-CD2 4.03Å; L388-F542 HydrophobicContact CD1-CE2 3.84Å; L388-F542 HydrophobicContact CD1-CZ 4.14Å; L388-F542 HydrophobicContact CD2-CE2 4.47Å; L388-F542 HydrophobicContact CD2-CZ 4.29Å
389	S	97	Very high	96.5	Very high	8 Å²	8	54.1 Å²	54.1	6%	0.056	30%	0.295	C	S	.	.			trans	-102.5	83.5	-173.6	-162.5	0	0	0	0	111.5	V385 S391 G392 S509	V385-S389 WeakPolarHBondContact O-CB 3.4Å; V385-S389 PolarHBondContact O-N 3.11Å; S389-S391 PolarHBondContact O-N 3.17Å; S389-G392 PolarHBondContact O-N 3.1Å; S389-S509 WeakPolarHBondContact CA-O 3.4Å; S389-S509 WeakPolarHBondContact CB-O 3.42Å; S389-S509 PolarHBondContact OG-O 2.92Å
390	F	95.1	Very high	96.7	Very high	105 Å²	105	56 Å²	56	46%	0.461	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-30.9	-176.6	-66	1.5	0	0	0	113.2	T387 E514 L520	T387-F390 WeakPolarHBondContact O-CE1 3.22Å; F390-E514 HydrophobicContact CE2-CB 3.98Å; F390-E514 HydrophobicContact CE2-CG 3.44Å; F390-E514 VanDerWaalsContact CE2-CG 3.44Å; F390-E514 HydrophobicContact CZ-CB 4.15Å; F390-E514 HydrophobicContact CZ-CG 3.85Å; F390-L520 HydrophobicContact CE1-CD1 3.9Å; F390-L520 HydrophobicContact CZ-CD1 3.79Å
391	S	94	Very high	96.8	Very high	95 Å²	95	55.7 Å²	55.7	66%	0.664	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-7.2	177.1	56	0	0	0	0	113.8	S389	S389-S391 PolarHBondContact O-N 3.17Å
392	G	96.3	Very high	96.9	Very high	21 Å²	21	55.6 Å²	55.6	22%	0.216	30%	0.301	C	S	.	.			trans	68.5	-177.1	-172	0	0	0	0	0	114	S389	S389-G392 PolarHBondContact O-N 3.1Å
393	P	97.6	Very high	97	Very high	67 Å²	67	54.4 Å²	54.4	44%	0.435	30%	0.295	S	S	.	.			trans	-75.2	146.5	-175.2	24.4	-29.7	0	0	0	114.3	T506 M507 Y508	P393-T506 HydrophobicContact CB-CG2 3.45Å; P393-T506 VanDerWaalsContact CB-CG2 3.45Å; P393-T506 HydrophobicContact CG-CG2 4.36Å; P393-M507 CarbonylContact C-O 3.51Å; P393-M507 WeakPolarHBondContact CA-O 3.41Å; P393-Y508 HydrophobicContact CB-CD1 3.93Å; P393-Y508 HydrophobicContact CB-CE1 3.47Å; P393-Y508 VanDerWaalsContact CB-CE1 3.47Å; P393-Y508 HydrophobicContact CB-CE2 4.37Å; P393-Y508 HydrophobicContact CG-CE1 3.84Å
394	V	98.5	Very high	97.1	Very high	54 Å²	54	55.2 Å²	55.2	33%	0.327	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	128.4	164.7	-179.3	0	0	0	0	109.5	L405 M507	V394-L405 HydrophobicContact CB-CD2 3.72Å; V394-L405 HydrophobicContact CG1-CD2 3.98Å; V394-L405 HydrophobicContact CG2-CD2 3.86Å; V394-M507 HydrophobicContact CG1-CE 4.26Å; V394-M507 PolarHBondContact N-O 2.72Å; V394-M507 PolarHBondContact O-N 3.22Å
395	K	98.6	Very high	97.2	Very high	165 Å²	165	55.7 Å²	55.7	72%	0.717	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.7	136.8	177.8	-66.5	-176.4	179.3	-179.6	0	111.1	W505 T506	K395-W505 VanDerWaalsContact CA-O 3.3Å; K395-W505 WeakPolarHBondContact CA-O 3.47Å; K395-T506 HydrophobicContact CG-CG2 4.34Å
396	S	98.6	Very high	97.3	Very high	36 Å²	36	62.3 Å²	62.3	25%	0.252	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	153.4	178.5	176.5	0	0	0	0	111.2	Y398 W505	S396-Y398 VanDerWaalsContact C-N 3.31Å; S396-Y398 VanDerWaalsContact CB-O 3.22Å; S396-Y398 WeakPolarHBondContact CB-O 3.4Å; S396-Y398 PolarHBondContact O-N 3.31Å; S396-Y398 PolarHBondContact OG-N 3.21Å; S396-Y398 PolarHBondContact OG-O 3.01Å; S396-W505 PolarHBondContact N-O 2.89Å; S396-W505 PolarHBondContact O-N 2.72Å
397	T	98.6	Very high	97.5	Very high	87 Å²	87	54.7 Å²	54.7	53%	0.534	30%	0.298	S	S	.	.	S	Bend	trans	-63.7	-38.4	173.8	-55.5	0	0	0	0	111.8	T503 G504	T397-T503 HydrophobicContact CG2-CG2 4.36Å; T397-T503 CarbonylContact O-C 3.53Å; T397-T503 WeakPolarHBondContact O-CA 3.22Å; T397-T503 WeakPolarHBondContact O-CB 3.44Å; T397-G504 PolarHBondContact O-N 2.97Å
398	Y	98.6	Very high	97.6	Very high	121 Å²	121	53.6 Å²	53.6	48%	0.475	29%	0.292	S	S	.	.	S	Bend	trans	-122.5	159.1	179.7	-60.7	-67.6	0	0	0	111.1	S396 N494 T501 T503	S396-Y398 VanDerWaalsContact C-N 3.31Å; S396-Y398 VanDerWaalsContact CB-O 3.22Å; S396-Y398 WeakPolarHBondContact CB-O 3.4Å; S396-Y398 PolarHBondContact O-N 3.31Å; S396-Y398 PolarHBondContact OG-N 3.21Å; S396-Y398 PolarHBondContact OG-O 3.01Å; Y398-N494 VanDerWaalsContact CD1-OD1 3.23Å; Y398-N494 WeakPolarHBondContact CD1-OD1 3.45Å; Y398-T501 HydrophobicContact CE1-CG2 4.3Å; Y398-T503 HydrophobicContact CD1-CG2 4.29Å; Y398-T503 HydrophobicContact CE1-CG2 3.81Å
399	P	98.6	Very high	97.7	Very high	21 Å²	21	55.4 Å²	55.4	14%	0.136	30%	0.3	C	S	.	.			trans	-60.1	146.3	178.4	-17.9	30.1	0	0	0	112.3	Y414 L491 N494 W505	P399-Y414 HydrophobicContact CB-CD1 4.2Å; P399-Y414 HydrophobicContact CB-CE1 4.09Å; P399-L491 HydrophobicContact CB-CB 3.57Å; P399-L491 HydrophobicContact CB-CD1 4.08Å; P399-L491 HydrophobicContact CB-CG 4.44Å; P399-L491 HydrophobicContact CG-CB 4.13Å; P399-L491 HydrophobicContact CG-CD1 4.12Å; P399-N494 WeakPolarHBondContact CD-OD1 3.17Å; P399-W505 HydrophobicContact CG-CD2 4.06Å; P399-W505 HydrophobicContact CG-CG 4.27Å; P399-W505 HydrophobicContact CG-CZ2 4Å
400	Q	98.6	Very high	97.8	Very high	54 Å²	54	55.2 Å²	55.2	25%	0.252	30%	0.299	S	S	.	.			trans	-108.3	149	173.7	-75.1	-176	-7.4	0	0	110.4	D404 L405 Y414 M507	Q400-D404 HydrophobicContact CB-CB 3.8Å; Q400-D404 HydrophobicContact CG-CB 4.29Å; Q400-L405 HydrophobicContact CB-CD2 4.14Å; Q400-L405 HydrophobicContact CB-CG 4.09Å; Q400-Y414 WeakPolarHBondContact O-CE1 3.13Å; Q400-Y414 PolarHBondContact O-OH 3.2Å; Q400-M507 HydrophobicContact CB-CE 3.92Å; Q400-M507 HydrophobicContact CB-SD 3.83Å; Q400-M507 HydrophobicContact CG-CE 3.91Å; Q400-M507 HydrophobicContact CG-SD 4.4Å; Q400-M507 PolarHBondContact N-SD 3.06Å
401	T	98.8	Very high	97.9	Very high	16 Å²	16	50.2 Å²	50.2	10%	0.098	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-73.1	165.4	178.1	65.9	0	0	0	0	111.1	K139 T403 D404 L405 F488 K489 V492	K139-T401 PolarHBondContact NZ-OG1 3.35Å; K139-T401 VanDerWaalsContact NZ-OG1 3.15Å; T401-T403 PolarHBondContact O-N 2.67Å; T401-T403 PolarHBondContact OG1-OG1 3.03Å; T401-D404 WeakPolarHBondContact CB-OD2 3.35Å; T401-D404 PolarHBondContact N-OD2 3.48Å; T401-D404 WeakPolarHBondContact O-CB 3.31Å; T401-D404 PolarHBondContact O-N 3.46Å; T401-D404 VanDerWaalsContact O-N 3.12Å; T401-D404 VanDerWaalsContact OG1-CG 3.27Å; T401-D404 PolarHBondContact OG1-N 2.97Å; T401-D404 PolarHBondContact OG1-OD2 3.28Å; T401-L405 WeakPolarHBondContact O-CG 3.28Å; T401-L405 PolarHBondContact O-N 2.82Å; T401-L405 VanDerWaalsContact O-N 3.17Å; T401-F488 HydrophobicContact CG2-CB 4.26Å; T401-F488 HydrophobicContact CG2-CD1 4.19Å; T401-K489 WeakPolarHBondContact CA-O 3.35Å; T401-K489 WeakPolarHBondContact CB-O 3.03Å; T401-V492 HydrophobicContact CG2-CB 4.48Å; T401-V492 HydrophobicContact CG2-CG1 4.07Å
402	F	98.7	Very high	98.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-43.8	174.3	-94.5	-131.2	0	0	0	112.4	L405 N406 Q407 V412 Y414 V473 N475 K489 G490	F402-L405 CarbonylContact O-C 3.57Å; F402-L405 PolarHBondContact O-N 3.39Å; F402-L405 VanDerWaalsContact O-N 3.16Å; F402-N406 PolarHBondContact O-N 2.91Å; F402-Q407 CarbonylContact C-O 3.53Å; F402-Q407 VanDerWaalsContact CB-O 3.32Å; F402-Q407 WeakPolarHBondContact CB-O 3.44Å; F402-Q407 HydrophobicContact CD1-CG 4.35Å; F402-Q407 PolarHBondContact O-N 3.1Å; F402-V412 HydrophobicContact CD1-CG2 4.06Å; F402-V412 HydrophobicContact CD2-CB 4.06Å; F402-V412 HydrophobicContact CD2-CG2 3.61Å; F402-V412 HydrophobicContact CE1-CG2 3.91Å; F402-V412 HydrophobicContact CE2-CB 3.56Å; F402-V412 HydrophobicContact CE2-CG2 3.46Å; F402-V412 VanDerWaalsContact CE2-CG2 3.46Å; F402-V412 HydrophobicContact CG-CG2 3.94Å; F402-V412 HydrophobicContact CZ-CB 3.91Å; F402-V412 HydrophobicContact CZ-CG2 3.63Å; F402-Y414 HydrophobicContact CE2-CE2 4.49Å; F402-V473 HydrophobicContact CE2-CB 4.28Å; F402-V473 HydrophobicContact CE2-CG1 4.23Å; F402-V473 WeakPolarHBondContact CZ-O 3.2Å; F402-N475 HydrophobicContact CD1-CB 4.07Å; F402-N475 HydrophobicContact CE1-CB 3.55Å; F402-N475 HydrophobicContact CZ-CB 4.13Å; F402-K489 HydrophobicContact CB-CB 3.92Å; F402-K489 HydrophobicContact CD1-CB 4.09Å; F402-K489 VanDerWaalsContact CD2-C 3.48Å; F402-K489 HydrophobicContact CD2-CB 4.08Å; F402-K489 HydrophobicContact CG-CB 3.77Å; F402-K489 PolarHBondContact N-O 2.04Å; F402-G490 VanDerWaalsContact CD2-N 3.29Å; F402-G490 VanDerWaalsContact CE2-CA 3.43Å
403	T	97.6	Very high	98.3	Very high	4 Å²	4	44.7 Å²	44.7	3%	0.025	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-31.2	-178.9	53	0	0	0	0	112.9	A133 L136 N137 T401 L405 N406	A133-T403 HydrophobicContact CB-CG2 4.34Å; A133-T403 WeakPolarHBondContact O-CG2 3.45Å; L136-T403 HydrophobicContact CB-CG2 4.3Å; N137-T403 WeakPolarHBondContact OD1-CB 3.37Å; N137-T403 PolarHBondContact OD1-O 2.74Å; T401-T403 PolarHBondContact O-N 2.67Å; T401-T403 PolarHBondContact OG1-OG1 3.03Å; T403-L405 PolarHBondContact O-N 2.74Å; T403-N406 PolarHBondContact O-N 3.16Å; T403-N406 VanDerWaalsContact O-N 3.15Å
404	D	97.9	Very high	98.4	Very high	66 Å²	66	41.5 Å²	41.5	35%	0.353	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-28.8	170.4	-64.2	-44.5	0	0	0	112.2	K139 Q400 T401 N406	K139-D404 WeakPolarHBondContact CE-OD1 3.31Å; K139-D404 IonicContact NZ-OD1 3.12Å; K139-D404 PolarHBondContact NZ-OD1 3.29Å; K139-D404 IonicContact NZ-OD2 2.66Å; K139-D404 PolarHBondContact NZ-OD2 2.86Å; Q400-D404 HydrophobicContact CB-CB 3.8Å; Q400-D404 HydrophobicContact CG-CB 4.29Å; T401-D404 WeakPolarHBondContact CB-OD2 3.35Å; T401-D404 PolarHBondContact N-OD2 3.48Å; T401-D404 WeakPolarHBondContact O-CB 3.31Å; T401-D404 PolarHBondContact O-N 3.46Å; T401-D404 VanDerWaalsContact O-N 3.12Å; T401-D404 VanDerWaalsContact OG1-CG 3.27Å; T401-D404 PolarHBondContact OG1-N 2.97Å; T401-D404 PolarHBondContact OG1-OD2 3.28Å; D404-N406 VanDerWaalsContact C-N 3.3Å
405	L	97.9	Very high	98.4	Very high	9 Å²	9	40.9 Å²	40.9	5%	0.047	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	14	178.2	-61.4	172.1	0	0	0	112.9	V394 Q400 T401 F402 T403 Q407 V412 M507 S509	V394-L405 HydrophobicContact CB-CD2 3.72Å; V394-L405 HydrophobicContact CG1-CD2 3.98Å; V394-L405 HydrophobicContact CG2-CD2 3.86Å; Q400-L405 HydrophobicContact CB-CD2 4.14Å; Q400-L405 HydrophobicContact CB-CG 4.09Å; T401-L405 WeakPolarHBondContact O-CG 3.28Å; T401-L405 PolarHBondContact O-N 2.82Å; T401-L405 VanDerWaalsContact O-N 3.17Å; F402-L405 CarbonylContact O-C 3.57Å; F402-L405 PolarHBondContact O-N 3.39Å; F402-L405 VanDerWaalsContact O-N 3.16Å; T403-L405 PolarHBondContact O-N 2.74Å; L405-Q407 PolarHBondContact O-N 3.39Å; L405-V412 HydrophobicContact CD1-CG1 3.56Å; L405-M507 HydrophobicContact CD1-CB 3.91Å; L405-M507 HydrophobicContact CD1-SD 4.3Å; L405-M507 HydrophobicContact CD2-CB 4.13Å; L405-M507 HydrophobicContact CD2-CE 4.28Å; L405-M507 HydrophobicContact CD2-SD 4.48Å; L405-S509 WeakPolarHBondContact CB-OG 3.37Å; L405-S509 PolarHBondContact O-OG 3.29Å
406	N	96.6	Very high	98.4	Very high	149 Å²	149	33.2 Å²	33.2	80%	0.797	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	33.8	-177.4	-63.9	-46.8	0	0	0	114	F402 T403 D404	F402-N406 PolarHBondContact O-N 2.91Å; T403-N406 PolarHBondContact O-N 3.16Å; T403-N406 VanDerWaalsContact O-N 3.15Å; D404-N406 VanDerWaalsContact C-N 3.3Å
407	Q	97.7	Very high	98.4	Very high	19 Å²	19	35.1 Å²	35.1	9%	0.089	18%	0.184	C	C	.	.			trans	-122.1	126.7	178.1	-175.5	168.4	-31.9	0	0	111.2	F402 L405 F409 F411 V412	F402-Q407 CarbonylContact C-O 3.53Å; F402-Q407 VanDerWaalsContact CB-O 3.32Å; F402-Q407 WeakPolarHBondContact CB-O 3.44Å; F402-Q407 HydrophobicContact CD1-CG 4.35Å; F402-Q407 PolarHBondContact O-N 3.1Å; L405-Q407 PolarHBondContact O-N 3.39Å; Q407-F409 WeakPolarHBondContact CG-O 3.47Å; Q407-F409 PolarHBondContact NE2-O 2.93Å; Q407-F411 VanDerWaalsContact NE2-C 3.27Å; Q407-F411 PolarHBondContact NE2-O 3.07Å; Q407-V412 HydrophobicContact CB-CG2 4.4Å; Q407-V412 HydrophobicContact CG-CG2 4.37Å
408	S	97.8	Very high	98.4	Very high	29 Å²	29	31.1 Å²	31.1	20%	0.203	16%	0.159	C	C	.	.			trans	-92.7	-39.9	-178.9	-64.4	0	0	0	0	113.1	N475 R478	S408-N475 PolarHBondContact O-ND2 3.23Å; S408-R478 VanDerWaalsContact O-CZ 3.3Å; S408-R478 PolarHBondContact O-NH1 3.43Å; S408-R478 PolarHBondContact O-NH2 3.21Å
409	F	98.6	Very high	98.3	Very high	37 Å²	37	28.7 Å²	28.7	16%	0.162	16%	0.158	C	C	.	.	S	Bend	trans	-131.1	175.6	-168.6	-56.4	-72	0	0	0	112.3	D127 Y312 W313 Q407	D127-F409 HydrophobicContact CB-CE1 4.07Å; D127-F409 WeakPolarHBondContact OD1-CE1 3.38Å; Y312-F409 HydrophobicContact CD2-CB 3.61Å; Y312-F409 HydrophobicContact CD2-CG 4.43Å; Y312-F409 HydrophobicContact CE2-CB 4.39Å; Y312-F409 HydrophobicContact CG-CB 3.93Å; W313-F409 HydrophobicContact CE3-CE1 4.43Å; W313-F409 HydrophobicContact CE3-CZ 4.12Å; W313-F409 AromaticContact CH2-CE2 3.97Å; W313-F409 HydrophobicContact CH2-CE2 3.97Å; W313-F409 AromaticContact CH2-CZ 3.98Å; W313-F409 HydrophobicContact CH2-CZ 3.98Å; W313-F409 HydrophobicContact CZ3-CE1 4.22Å; W313-F409 AromaticContact CZ3-CE2 3.97Å; W313-F409 HydrophobicContact CZ3-CE2 3.97Å; W313-F409 AromaticContact CZ3-CZ 3.48Å; W313-F409 HydrophobicContact CZ3-CZ 3.48Å; W313-F409 VanDerWaalsContact CZ3-CZ 3.48Å; Q407-F409 WeakPolarHBondContact CG-O 3.47Å; Q407-F409 PolarHBondContact NE2-O 2.93Å
410	G	98.5	Very high	98.3	Very high	4 Å²	4	31.3 Å²	31.3	4%	0.041	17%	0.168	C	C	.	.	S	Bend	trans	73.2	-127	174.5	0	0	0	0	0	113.5	N475	G410-N475 PolarHBondContact O-N 3.22Å
411	F	98.9	Very high	98.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	138.9	-162.7	-53.8	-94.9	0	0	0	112.9	Y312 Q407 L472 V473 E474 L510 I512 L610 L612	Y312-F411 HydrophobicContact CE1-CE2 4.23Å; Q407-F411 VanDerWaalsContact NE2-C 3.27Å; Q407-F411 PolarHBondContact NE2-O 3.07Å; F411-L472 HydrophobicContact CB-CD1 3.9Å; F411-L472 HydrophobicContact CD1-CD2 4.45Å; F411-L472 HydrophobicContact CD1-CG 4.43Å; F411-V473 VanDerWaalsContact CA-O 3.28Å; F411-V473 WeakPolarHBondContact CA-O 3.27Å; F411-E474 HydrophobicContact CD1-CB 3.75Å; F411-E474 HydrophobicContact CD1-CG 4Å; F411-E474 HydrophobicContact CE1-CB 3.64Å; F411-E474 HydrophobicContact CE1-CG 3.49Å; F411-E474 VanDerWaalsContact CE1-CG 3.49Å; F411-E474 HydrophobicContact CZ-CG 4.09Å; F411-L510 HydrophobicContact CB-CD1 4.2Å; F411-L510 WeakPolarHBondContact O-CB 3.42Å; F411-L510 WeakPolarHBondContact O-CG 3.26Å; F411-I512 HydrophobicContact CB-CD1 4.11Å; F411-I512 HydrophobicContact CD2-CD1 3.62Å; F411-I512 HydrophobicContact CE2-CD1 4.42Å; F411-I512 HydrophobicContact CG-CD1 4.15Å; F411-L610 HydrophobicContact CD2-CD2 4.18Å; F411-L610 HydrophobicContact CE1-CD2 4.5Å; F411-L610 HydrophobicContact CE2-CD2 3.76Å; F411-L610 HydrophobicContact CZ-CD2 3.94Å; F411-L612 HydrophobicContact CD1-CD2 4.35Å; F411-L612 HydrophobicContact CE1-CD1 3.65Å; F411-L612 HydrophobicContact CE1-CD2 3.71Å; F411-L612 HydrophobicContact CE1-CG 4.35Å; F411-L612 HydrophobicContact CZ-CD1 3.96Å; F411-L612 HydrophobicContact CZ-CD2 4.2Å
412	V	98.9	Very high	98	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	134.3	172.5	173.4	0	0	0	0	108.7	F402 L405 Q407 Y414 V473 Y508	F402-V412 HydrophobicContact CD1-CG2 4.06Å; F402-V412 HydrophobicContact CD2-CB 4.06Å; F402-V412 HydrophobicContact CD2-CG2 3.61Å; F402-V412 HydrophobicContact CE1-CG2 3.91Å; F402-V412 HydrophobicContact CE2-CB 3.56Å; F402-V412 HydrophobicContact CE2-CG2 3.46Å; F402-V412 VanDerWaalsContact CE2-CG2 3.46Å; F402-V412 HydrophobicContact CG-CG2 3.94Å; F402-V412 HydrophobicContact CZ-CB 3.91Å; F402-V412 HydrophobicContact CZ-CG2 3.63Å; L405-V412 HydrophobicContact CD1-CG1 3.56Å; Q407-V412 HydrophobicContact CB-CG2 4.4Å; Q407-V412 HydrophobicContact CG-CG2 4.37Å; V412-Y414 HydrophobicContact CB-CD2 4.42Å; V412-Y414 HydrophobicContact CB-CE2 3.77Å; V412-Y414 HydrophobicContact CG1-CD2 3.89Å; V412-Y414 HydrophobicContact CG1-CE2 3.4Å; V412-Y414 VanDerWaalsContact CG1-CE2 3.4Å; V412-V473 PolarHBondContact N-O 3.1Å; V412-V473 PolarHBondContact O-N 2.73Å; V412-Y508 WeakPolarHBondContact CA-O 3.43Å; V412-Y508 WeakPolarHBondContact CG1-O 3.39Å
413	L	98.9	Very high	97.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	125.2	173.3	178.2	67.5	0	0	0	110.2	L382 V385 D470 L472 M507 Y508 L510	L382-L413 HydrophobicContact CD2-CD1 3.77Å; L382-L413 HydrophobicContact CD2-CD2 3.98Å; V385-L413 HydrophobicContact CB-CD2 4.47Å; V385-L413 HydrophobicContact CG2-CD2 3.84Å; L413-D470 HydrophobicContact CD1-CB 4.04Å; L413-L472 HydrophobicContact CB-CD1 4.39Å; L413-L472 HydrophobicContact CD1-CB 4.39Å; L413-M507 CarbonylContact O-C 3.6Å; L413-M507 VanDerWaalsContact O-CA 3.28Å; L413-M507 WeakPolarHBondContact O-CA 2.99Å; L413-Y508 HydrophobicContact CB-CD2 4.35Å; L413-Y508 HydrophobicContact CD2-CD2 4.02Å; L413-Y508 HydrophobicContact CD2-CE2 4.5Å; L413-Y508 HydrophobicContact CG-CD2 4.3Å; L413-Y508 PolarHBondContact N-O 2.84Å; L413-Y508 PolarHBondContact O-N 3.07Å; L413-L510 HydrophobicContact CB-CD1 4.35Å
414	Y	98.9	Very high	97.6	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	121.3	173.2	-64.6	-102.4	0	0	0	109.6	P399 Q400 F402 V412 I471 V473 G490 L491 W505 M507	P399-Y414 HydrophobicContact CB-CD1 4.2Å; P399-Y414 HydrophobicContact CB-CE1 4.09Å; Q400-Y414 WeakPolarHBondContact O-CE1 3.13Å; Q400-Y414 PolarHBondContact O-OH 3.2Å; F402-Y414 HydrophobicContact CE2-CE2 4.49Å; V412-Y414 HydrophobicContact CB-CD2 4.42Å; V412-Y414 HydrophobicContact CB-CE2 3.77Å; V412-Y414 HydrophobicContact CG1-CD2 3.89Å; V412-Y414 HydrophobicContact CG1-CE2 3.4Å; V412-Y414 VanDerWaalsContact CG1-CE2 3.4Å; Y414-I471 PolarHBondContact N-O 3.23Å; Y414-I471 PolarHBondContact O-N 3.06Å; Y414-V473 HydrophobicContact CD2-CB 4.24Å; Y414-V473 HydrophobicContact CD2-CG2 3.6Å; Y414-V473 HydrophobicContact CE2-CB 3.97Å; Y414-V473 HydrophobicContact CE2-CG2 3.7Å; Y414-G490 WeakPolarHBondContact OH-CA 3.41Å; Y414-L491 HydrophobicContact CD1-CB 4.35Å; Y414-L491 HydrophobicContact CD1-CD1 3.68Å; Y414-L491 HydrophobicContact CD1-CG 4Å; Y414-L491 HydrophobicContact CD2-CD1 4.23Å; Y414-L491 HydrophobicContact CD2-CG 4.12Å; Y414-L491 HydrophobicContact CE1-CB 4.04Å; Y414-L491 HydrophobicContact CE1-CD1 4.22Å; Y414-L491 HydrophobicContact CE1-CG 4.07Å; Y414-L491 HydrophobicContact CE2-CG 4.17Å; Y414-L491 HydrophobicContact CG-CD1 3.7Å; Y414-L491 HydrophobicContact CG-CG 4.04Å; Y414-L491 PolarHBondContact OH-N 2.96Å; Y414-W505 HydrophobicContact CD1-CE3 4.46Å; Y414-M507 HydrophobicContact CD1-CB 4.48Å; Y414-M507 HydrophobicContact CD1-CG 3.52Å; Y414-M507 HydrophobicContact CD1-SD 3.72Å; Y414-M507 HydrophobicContact CE1-CG 3.93Å; Y414-M507 HydrophobicContact CE1-SD 3.65Å; Y414-M507 HydrophobicContact CG-CG 4.26Å
415	R	98.9	Very high	97.5	Very high	41 Å²	41	44.4 Å²	44.4	16%	0.155	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	135.3	-177.9	-179.4	173.9	-67.8	177.5	0.3	111.7	Q468 V469 D470 W505 T506 Y508	R415-Q468 HydrophobicContact CG-CG 3.88Å; R415-V469 WeakPolarHBondContact CA-O 3.46Å; R415-D470 IonicContact CZ-OD1 3.26Å; R415-D470 VanDerWaalsContact CZ-OD1 3.22Å; R415-D470 IonicContact NE-OD1 3.42Å; R415-D470 PolarHBondContact NE-OD1 3.36Å; R415-D470 IonicContact NE-OD2 2.69Å; R415-D470 IonicContact NH2-OD1 2.78Å; R415-D470 PolarHBondContact NH2-OD1 2.82Å; R415-D470 IonicContact NH2-OD2 3.96Å; R415-W505 CarbonylContact O-C 3.46Å; R415-W505 WeakPolarHBondContact O-CA 3.37Å; R415-T506 WeakPolarHBondContact CA-O 3.37Å; R415-T506 WeakPolarHBondContact CB-O 3.33Å; R415-T506 PolarHBondContact N-O 3.07Å; R415-T506 PolarHBondContact O-N 3.38Å; R415-Y508 HydrophobicContact CB-CE2 4.49Å
416	T	98.8	Very high	97.5	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.031	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	-170.6	170.9	-174.1	0	0	0	0	109.4	V469 L502 T503 G504 W505	T416-V469 HydrophobicContact CG2-CB 4.09Å; T416-V469 PolarHBondContact N-O 2.84Å; T416-V469 PolarHBondContact O-N 3.45Å; T416-L502 HydrophobicContact CG2-CD1 4.22Å; T416-T503 PolarHBondContact OG1-O 2.86Å; T416-G504 PolarHBondContact OG1-O 2.82Å; T416-W505 HydrophobicContact CG2-CD2 4.5Å; T416-W505 HydrophobicContact CG2-CE3 4.14Å; T416-W505 HydrophobicContact CG2-CH2 3.73Å; T416-W505 HydrophobicContact CG2-CZ2 4.1Å; T416-W505 HydrophobicContact CG2-CZ3 3.74Å
417	T	98.6	Very high	97.6	Very high	76 Å²	76	40.6 Å²	40.6	47%	0.466	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	150.8	177.3	56.9	0	0	0	0	111.4	P419 S467	T417-P419 WeakPolarHBondContact O-CD 3.45Å; T417-S467 CarbonylContact C-O 3.23Å; T417-S467 WeakPolarHBondContact CA-O 3.39Å
418	L	98.3	Very high	97.6	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.016	23%	0.225	C	C	.	.			trans	-64.4	124.5	172.7	-63.3	-176.9	0	0	0	110.5	F420 C422 V443 V461 N464 G466 S467 V469 L497	L418-F420 VanDerWaalsContact C-N 3.31Å; L418-F420 PolarHBondContact O-N 2.91Å; L418-C422 HydrophobicContact CD1-CB 4.37Å; L418-V443 HydrophobicContact CD1-CG1 4.26Å; L418-V461 HydrophobicContact CD2-CG2 4.34Å; L418-N464 WeakPolarHBondContact CB-O 3.27Å; L418-G466 PolarHBondContact O-N 3.28Å; L418-S467 PolarHBondContact N-O 3.1Å; L418-V469 HydrophobicContact CD2-CG2 3.44Å; L418-V469 VanDerWaalsContact CD2-CG2 3.44Å; L418-V469 HydrophobicContact CG-CG2 3.78Å; L418-L497 HydrophobicContact CD2-CD1 4.38Å; L418-L497 HydrophobicContact CD2-CD2 3.7Å
419	P	97.4	Very high	97.6	Very high	69 Å²	69	39.5 Å²	39.5	45%	0.448	22%	0.223	S	C	.	.	S	Bend	trans	-74.7	-18.5	-178.1	28.2	-34.5	0	0	0	113.7	T417 L497 T500 L502	T417-P419 WeakPolarHBondContact O-CD 3.45Å; P419-L497 HydrophobicContact CG-CD2 4.23Å; P419-T500 HydrophobicContact CG-CG2 4.47Å; P419-L502 HydrophobicContact CG-CD2 4.08Å
420	F	97.4	Very high	97.6	Very high	77 Å²	77	37.8 Å²	37.8	34%	0.338	22%	0.216	S	C	.	.	S	Bend	trans	-151.6	165.4	178.9	51.1	-101.4	0	0	0	110.9	L418 C422 L497 T500	L418-F420 VanDerWaalsContact C-N 3.31Å; L418-F420 PolarHBondContact O-N 2.91Å; F420-C422 PolarHBondContact O-N 3.04Å; F420-L497 HydrophobicContact CE2-CD2 4.15Å; F420-L497 HydrophobicContact CZ-CD2 3.97Å; F420-L497 HydrophobicContact CZ-CG 4.19Å; F420-T500 HydrophobicContact CE1-CG2 4.33Å
421	N	96.6	Very high	97.4	Very high	97 Å²	97	41.2 Å²	41.2	52%	0.519	24%	0.237	S	C	.	.			trans	-63.2	124.4	178.6	-68.8	-15.2	0	0	0	111.3	A465	N421-A465 WeakPolarHBondContact OD1-CB 3.4Å; N421-A465 PolarHBondContact OD1-N 2.82Å
422	C	95.7	Very high	97.4	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.007	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	64.6	174.2	-62.8	0	0	0	0	109.4	L418 F420 Q424 T462 G463	L418-C422 HydrophobicContact CD1-CB 4.37Å; F420-C422 PolarHBondContact O-N 3.04Å; C422-Q424 PolarHBondContact O-N 3.29Å; C422-T462 WeakPolarHBondContact O-CA 3.49Å; C422-G463 CarbonylContact C-O 3.57Å; C422-G463 WeakPolarHBondContact CA-O 3.27Å; C422-G463 PolarHBondContact N-O 2.83Å; C422-G463 PolarHBondContact O-N 2.76Å
423	S	92.8	Very high	97.3	Very high	93 Å²	93	49.6 Å²	49.6	65%	0.65	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	-18.5	-179.5	-51.8	0	0	0	0	113.3
424	Q	94.1	Very high	97.3	Very high	146 Å²	146	49.6 Å²	49.6	68%	0.682	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.2	151.8	169.5	-64.9	-60.6	-38.3	0	0	109.2	C422 T426	C422-Q424 PolarHBondContact O-N 3.29Å; Q424-T426 PolarHBondContact O-N 3.3Å; Q424-T426 PolarHBondContact O-OG1 3.13Å
425	P	96.3	Very high	97.3	Very high	77 Å²	77	49.8 Å²	49.8	50%	0.5	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.6	111	176.1	-27.8	35.6	0	0	0	111.3	N460 T462	P425-N460 HydrophobicContact CB-CB 3.87Å; P425-T462 HydrophobicContact CG-CG2 4.34Å
426	T	97.9	Very high	97.3	Very high	26 Å²	26	49 Å²	49	16%	0.16	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	128.5	-175.1	-59.7	0	0	0	0	109.2	Q424 L428 N460 V461 L497	Q424-T426 PolarHBondContact O-N 3.3Å; Q424-T426 PolarHBondContact O-OG1 3.13Å; T426-L428 PolarHBondContact O-N 2.74Å; T426-N460 WeakPolarHBondContact O-CA 3.3Å; T426-V461 PolarHBondContact N-O 3.37Å; T426-V461 PolarHBondContact O-N 3.09Å; T426-L497 HydrophobicContact CG2-CD1 3.75Å; T426-L497 HydrophobicContact CG2-CG 3.89Å
427	P	98.1	Very high	97.3	Very high	53 Å²	53	48.8 Å²	48.8	34%	0.344	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	117.6	-177.7	-22.9	33.2	0	0	0	112.6	S458 V459 N460 L497 G498	P427-S458 WeakPolarHBondContact CB-OG 3.15Å; P427-V459 CarbonylContact C-O 3.25Å; P427-N460 WeakPolarHBondContact CA-OD1 3.34Å; P427-L497 CarbonylContact O-C 3.53Å; P427-L497 WeakPolarHBondContact O-CA 3.4Å; P427-G498 PolarHBondContact O-N 2.99Å
428	L	98.5	Very high	97.3	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	113.1	159.9	175.9	68.1	0	0	0	108.1	T426 V441 S458 V459 V461 V469 I471 L495 N496 L497 L502	T426-L428 PolarHBondContact O-N 2.74Å; L428-V441 HydrophobicContact CD2-CG1 3.69Å; L428-V441 HydrophobicContact CD2-CG2 4.35Å; L428-S458 WeakPolarHBondContact O-CA 3.3Å; L428-S458 PolarHBondContact O-OG 3.31Å; L428-V459 HydrophobicContact CB-CG2 4.25Å; L428-V459 HydrophobicContact CD2-CG2 4.39Å; L428-V459 PolarHBondContact N-O 3.3Å; L428-V459 PolarHBondContact O-N 3.43Å; L428-V461 HydrophobicContact CB-CG1 3.84Å; L428-V461 HydrophobicContact CB-CG2 4.3Å; L428-V461 HydrophobicContact CD2-CG1 4.18Å; L428-V469 HydrophobicContact CD2-CG1 4.48Å; L428-I471 HydrophobicContact CD2-CD1 4.2Å; L428-L495 HydrophobicContact CD1-CB 4.18Å; L428-L495 HydrophobicContact CD1-CD1 4.39Å; L428-N496 CarbonylContact C-O 3.46Å; L428-N496 WeakPolarHBondContact CA-O 3.49Å; L428-L497 HydrophobicContact CB-CD1 4.43Å; L428-L502 HydrophobicContact CD1-CD1 3.47Å; L428-L502 VanDerWaalsContact CD1-CD1 3.47Å
429	S	98.1	Very high	97.3	Very high	22 Å²	22	46 Å²	46	15%	0.154	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	151.3	-168.7	64.8	0	0	0	0	113.5	P431 L457 L495 N496	S429-P431 WeakPolarHBondContact O-CD 3.38Å; S429-L457 CarbonylContact C-O 3.54Å; S429-L457 WeakPolarHBondContact CA-O 3.21Å; S429-L495 CarbonylContact O-C 3.39Å; S429-L495 WeakPolarHBondContact O-CA 3.13Å; S429-N496 PolarHBondContact N-O 2.77Å; S429-N496 PolarHBondContact O-N 3.12Å; S429-N496 PolarHBondContact OG-O 3.26Å
430	S	98	Very high	97.4	Very high	2 Å²	2	43 Å²	43	1%	0.014	24%	0.24	C	C	.	.			trans	-109.4	86.5	167.6	-167.9	0	0	0	0	108.7	L432 N433 G434 L457 L495	S430-L432 PolarHBondContact O-N 3.19Å; S430-N433 PolarHBondContact O-N 3.09Å; S430-G434 WeakPolarHBondContact OG-CA 3.3Å; S430-G434 PolarHBondContact OG-N 3.5Å; S430-L457 PolarHBondContact N-O 2.75Å; S430-L495 VanDerWaalsContact CB-CD2 3.49Å
431	P	95.2	Very high	97.4	Very high	76 Å²	76	39.4 Å²	39.4	49%	0.494	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-24.7	-169.1	26	-35.7	0	0	0	113.4	S429	S429-P431 WeakPolarHBondContact O-CD 3.38Å
432	L	97.3	Very high	97.5	Very high	139 Å²	139	35 Å²	35	73%	0.728	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.8	16.4	177.4	-58.8	179.8	0	0	0	112.8	S430 G434	S430-L432 PolarHBondContact O-N 3.19Å; L432-G434 PolarHBondContact O-N 2.86Å
433	N	97.6	Very high	97.6	Very high	36 Å²	36	35.4 Å²	35.4	19%	0.193	20%	0.204	C	C	.	.			trans	56.7	38.3	-179.2	179.3	47.8	0	0	0	112.9	S430 V435 H436 N454 L457	S430-N433 PolarHBondContact O-N 3.09Å; N433-V435 PolarHBondContact O-N 2.84Å; N433-H436 PolarHBondContact O-NE2 2.96Å; N433-N454 PolarHBondContact ND2-OD1 2.97Å; N433-N454 PolarHBondContact OD1-N 2.62Å; N433-L457 HydrophobicContact CB-CD1 4.22Å; N433-L457 HydrophobicContact CB-CD2 4.01Å; N433-L457 WeakPolarHBondContact OD1-CD2 3.37Å
434	G	98.1	Very high	97.7	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.01	20%	0.197	C	C	.	.			trans	-92.3	19.3	-173.9	0	0	0	0	0	115.6	S430 L432 L491 V492 S493	S430-G434 WeakPolarHBondContact OG-CA 3.3Å; S430-G434 PolarHBondContact OG-N 3.5Å; L432-G434 PolarHBondContact O-N 2.86Å; G434-L491 CarbonylContact O-C 3.54Å; G434-L491 WeakPolarHBondContact O-CA 3.06Å; G434-V492 VanDerWaalsContact CA-CG2 3.45Å; G434-V492 WeakPolarHBondContact O-CG2 3.33Å; G434-V492 PolarHBondContact O-N 3.49Å; G434-S493 WeakPolarHBondContact CA-OG 3.33Å
435	V	98.9	Very high	97.7	Very high	4 Å²	4	30 Å²	30	2%	0.024	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	103.5	167.1	172.8	0	0	0	0	108.1	N433 A439 L451 R453 L491 L495	N433-V435 PolarHBondContact O-N 2.84Å; V435-A439 HydrophobicContact CG1-CB 3.56Å; V435-L451 HydrophobicContact CB-CB 4.41Å; V435-L451 HydrophobicContact CG1-CB 4.16Å; V435-L451 HydrophobicContact CG2-CB 4.05Å; V435-L451 HydrophobicContact CG2-CD1 3.92Å; V435-R453 WeakPolarHBondContact O-CB 3.47Å; V435-L491 HydrophobicContact CG2-CD2 3.9Å; V435-L495 HydrophobicContact CG2-CD2 4.18Å
436	H	98.9	Very high	97.6	Very high	24 Å²	24	30.9 Å²	30.9	11%	0.111	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	95.2	-178.5	-76.6	-159.9	0	0	0	110.1	N433 R453 D487 F488 K489 G490 V492	N433-H436 PolarHBondContact O-NE2 2.96Å; H436-R453 PolarHBondContact CE1-NH2 3.09Å; H436-R453 PolarHBondContact NE2-NE 2.7Å; H436-D487 IonicContact CE1-OD1 2.76Å; H436-D487 IonicContact ND1-OD1 3.32Å; H436-F488 WeakPolarHBondContact CB-O 3.3Å; H436-F488 PolarHBondContact ND1-O 3.36Å; H436-K489 HydrophobicContact CB-CD 4.27Å; H436-G490 PolarHBondContact N-O 3.24Å; H436-G490 PolarHBondContact O-N 3.38Å; H436-V492 HydrophobicContact CB-CG1 4.14Å
437	D	98.8	Very high	97.5	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.005	19%	0.185	C	C	.	.	S	Bend	cis	-122.8	-29	12.9	-54.4	-59.8	0	0	0	114.6	Y320 R453 E474 M476 K489	Y320-D437 HydrophobicContact CD1-CB 4.46Å; Y320-D437 HydrophobicContact CE1-CB 3.67Å; Y320-D437 WeakPolarHBondContact CE2-OD1 3.35Å; Y320-D437 VanDerWaalsContact CZ-OD1 3.3Å; Y320-D437 PolarHBondContact OH-OD2 3.18Å; D437-R453 WeakPolarHBondContact O-CB 3.14Å; D437-R453 PolarHBondContact O-N 3.29Å; D437-R453 VanDerWaalsContact OD1-CD 3.31Å; D437-R453 WeakPolarHBondContact OD1-CD 3.14Å; D437-R453 IonicContact OD1-CZ 2.67Å; D437-R453 IonicContact OD1-NE 2.7Å; D437-R453 IonicContact OD1-NH1 2.86Å; D437-R453 PolarHBondContact OD1-NH1 2.72Å; D437-E474 PolarHBondContact N-O 2.79Å; D437-M476 HydrophobicContact CB-CB 3.91Å; D437-M476 HydrophobicContact CB-CG 4.05Å; D437-M476 HydrophobicContact CB-SD 4.02Å; D437-M476 PolarHBondContact OD2-N 3.48Å; D437-K489 IonicContact OD1-NZ 2.8Å; D437-K489 PolarHBondContact OD1-NZ 2.92Å; D437-K489 WeakPolarHBondContact OD2-CE 3.05Å; D437-K489 IonicContact OD2-NZ 3.7Å; D437-K489 PolarHBondContact OD2-NZ 3.09Å
438	R	98.9	Very high	97.3	Very high	19 Å²	19	30.6 Å²	30.6	7%	0.072	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	135	-179.5	-166.4	171.9	-170.9	75.3	-2.2	109.3	Y440 V450 L451 E452 V473 E474 M476 E613	R438-Y440 WeakPolarHBondContact CD-OH 3.3Å; R438-Y440 HydrophobicContact CG-CE1 4.34Å; R438-V450 HydrophobicContact CG-CG1 3.63Å; R438-L451 WeakPolarHBondContact CA-O 3.3Å; R438-E452 IonicContact CZ-OE2 3.03Å; R438-E452 IonicContact NH1-OE1 3.68Å; R438-E452 IonicContact NH1-OE2 2.74Å; R438-E452 PolarHBondContact NH1-OE2 2.81Å; R438-E452 IonicContact NH2-OE2 2.66Å; R438-V473 CarbonylContact O-C 3.56Å; R438-V473 WeakPolarHBondContact O-CA 3.42Å; R438-E474 PolarHBondContact O-N 3.3Å; R438-M476 HydrophobicContact CB-SD 3.73Å; R438-E613 IonicContact CZ-OE1 3.82Å; R438-E613 VanDerWaalsContact CZ-OE1 3.24Å; R438-E613 IonicContact NE-OE1 3.77Å; R438-E613 PolarHBondContact NE-OE1 3.45Å; R438-E613 IonicContact NH2-OE1 2.8Å; R438-E613 PolarHBondContact NH2-OE1 2.93Å
439	A	98.8	Very high	97.2	Very high	0 Å²	0	31 Å²	31	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	126.1	-177.5	0	0	0	0	0	112	V435 V450 L451 I471 L472 V473	V435-A439 HydrophobicContact CG1-CB 3.56Å; A439-V450 CarbonylContact O-C 3.47Å; A439-V450 VanDerWaalsContact O-CA 3.27Å; A439-V450 WeakPolarHBondContact O-CA 3.35Å; A439-L451 HydrophobicContact CB-CB 4.22Å; A439-L451 PolarHBondContact N-O 2.87Å; A439-L451 PolarHBondContact O-N 3.27Å; A439-I471 HydrophobicContact CB-CG2 3.62Å; A439-L472 CarbonylContact C-O 3.58Å; A439-L472 VanDerWaalsContact CA-O 3.31Å; A439-L472 WeakPolarHBondContact CA-O 3.18Å; A439-V473 HydrophobicContact CB-CG2 3.97Å
440	Y	98.7	Very high	97.2	Very high	7 Å²	7	31.1 Å²	31.1	3%	0.027	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	112.9	177.3	-48.7	-80.5	0	0	0	108.4	R438 V450 L472 E474 P540 L612 E613	R438-Y440 WeakPolarHBondContact CD-OH 3.3Å; R438-Y440 HydrophobicContact CG-CE1 4.34Å; Y440-V450 HydrophobicContact CD1-CG1 4.32Å; Y440-V450 HydrophobicContact CD1-CG2 3.94Å; Y440-V450 HydrophobicContact CE1-CG1 4.3Å; Y440-V450 HydrophobicContact CE1-CG2 4.38Å; Y440-L472 HydrophobicContact CD2-CB 4.32Å; Y440-L472 HydrophobicContact CD2-CD2 4.26Å; Y440-L472 HydrophobicContact CD2-CG 4.35Å; Y440-L472 VanDerWaalsContact CD2-O 3.31Å; Y440-L472 WeakPolarHBondContact CD2-O 3.46Å; Y440-L472 PolarHBondContact N-O 2.81Å; Y440-L472 PolarHBondContact O-N 3.35Å; Y440-E474 HydrophobicContact CE2-CB 4.24Å; Y440-E474 PolarHBondContact OH-OE2 3.43Å; Y440-E474 VanDerWaalsContact OH-OE2 3.09Å; Y440-P540 HydrophobicContact CG-CG 4.23Å; Y440-L612 HydrophobicContact CD1-CB 4.17Å; Y440-L612 WeakPolarHBondContact CD1-O 3.37Å; Y440-L612 HydrophobicContact CD2-CB 4.35Å; Y440-L612 HydrophobicContact CE1-CB 3.61Å; Y440-L612 WeakPolarHBondContact CE1-O 3.48Å; Y440-L612 HydrophobicContact CE2-CB 3.83Å; Y440-L612 HydrophobicContact CE2-CD1 3.91Å; Y440-L612 HydrophobicContact CE2-CD2 4.14Å; Y440-L612 HydrophobicContact CE2-CG 4.18Å; Y440-L612 VanDerWaalsContact CZ-CB 3.41Å; Y440-L612 VanDerWaalsContact OH-CD1 3.24Å; Y440-L612 WeakPolarHBondContact OH-CD1 3.46Å; Y440-E613 HydrophobicContact CD1-CG 4.23Å; Y440-E613 HydrophobicContact CE1-CG 3.65Å
441	V	98.6	Very high	97.2	Very high	2 Å²	2	31 Å²	31	1%	0.012	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	135.5	-171.1	-172.3	0	0	0	0	109.8	L428 V448 G449 L451 V459 V469 D470 I471	L428-V441 HydrophobicContact CD2-CG1 3.69Å; L428-V441 HydrophobicContact CD2-CG2 4.35Å; V441-V448 HydrophobicContact CB-CG2 3.71Å; V441-V448 HydrophobicContact CG1-CG2 3.43Å; V441-V448 VanDerWaalsContact CG1-CG2 3.43Å; V441-V448 WeakPolarHBondContact O-CG2 3.36Å; V441-V448 PolarHBondContact O-N 3.27Å; V441-G449 PolarHBondContact N-O 2.69Å; V441-L451 HydrophobicContact CG2-CD1 4.28Å; V441-L451 HydrophobicContact CG2-CG 4.45Å; V441-V459 HydrophobicContact CG2-CG2 4.18Å; V441-V469 HydrophobicContact CG1-CG1 4.45Å; V441-D470 WeakPolarHBondContact CA-O 3.35Å; V441-I471 HydrophobicContact CG1-CG1 4.43Å
442	S	98.1	Very high	97.4	Very high	5 Å²	5	28.5 Å²	28.5	4%	0.035	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	151	168.3	53.1	0	0	0	0	112.4	V446 D470	S442-V446 CarbonylContact C-O 3.12Å; S442-V446 WeakPolarHBondContact CA-O 3.42Å; S442-V446 WeakPolarHBondContact CB-O 3.28Å; S442-D470 PolarHBondContact N-O 3.25Å; S442-D470 PolarHBondContact O-N 2.95Å; S442-D470 WeakPolarHBondContact OG-CB 3.42Å
443	V	97.6	Very high	97.5	Very high	8 Å²	8	23 Å²	23	5%	0.048	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	125.9	173.3	-176.8	0	0	0	0	108.9	L418 G445 V446 V448 V461 Q468 V469	L418-V443 HydrophobicContact CD1-CG1 4.26Å; V443-G445 PolarHBondContact O-N 3.09Å; V443-G445 VanDerWaalsContact O-N 3.13Å; V443-V446 PolarHBondContact N-O 3.07Å; V443-V446 WeakPolarHBondContact O-CB 3.44Å; V443-V446 PolarHBondContact O-N 3.14Å; V443-V448 HydrophobicContact CB-CG1 4.3Å; V443-V448 HydrophobicContact CG2-CG1 4.08Å; V443-V448 HydrophobicContact CG2-CG2 4.36Å; V443-V461 HydrophobicContact CG2-CB 4.14Å; V443-V461 HydrophobicContact CG2-CG1 4.31Å; V443-Q468 CarbonylContact C-O 3.55Å; V443-Q468 VanDerWaalsContact CA-O 3.26Å; V443-Q468 WeakPolarHBondContact CA-O 3.15Å; V443-V469 HydrophobicContact CG2-CG2 4.37Å
444	D	96.3	Very high	97.4	Very high	95 Å²	95	25.1 Å²	25.1	51%	0.508	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.2	39.7	-175.8	-66.9	-28.5	0	0	0	113.3	V446 S467 Q468	D444-V446 VanDerWaalsContact C-N 3.32Å; D444-V446 PolarHBondContact O-N 2.83Å; D444-S467 WeakPolarHBondContact OD1-CA 3.38Å; D444-S467 WeakPolarHBondContact OD2-CB 3.34Å; D444-S467 PolarHBondContact OD2-OG 2.58Å; D444-Q468 PolarHBondContact N-O 3.06Å; D444-Q468 PolarHBondContact OD1-N 3.37Å
445	G	93.4	Very high	97.3	Very high	32 Å²	32	30.4 Å²	30.4	33%	0.33	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	77	11	-179.3	0	0	0	0	0	115.1	V443 L539	V443-G445 PolarHBondContact O-N 3.09Å; V443-G445 VanDerWaalsContact O-N 3.13Å; G445-L539 VanDerWaalsContact O-CD1 3.22Å; G445-L539 WeakPolarHBondContact O-CD1 3.48Å
446	V	94.5	Very high	97.3	Very high	95 Å²	95	33 Å²	33	58%	0.576	19%	0.188	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-105	123.8	173.2	-177.1	0	0	0	0	109.4	S442 V443 D444 V448	S442-V446 CarbonylContact C-O 3.12Å; S442-V446 WeakPolarHBondContact CA-O 3.42Å; S442-V446 WeakPolarHBondContact CB-O 3.28Å; V443-V446 PolarHBondContact N-O 3.07Å; V443-V446 WeakPolarHBondContact O-CB 3.44Å; V443-V446 PolarHBondContact O-N 3.14Å; D444-V446 VanDerWaalsContact C-N 3.32Å; D444-V446 PolarHBondContact O-N 2.83Å; V446-V448 WeakPolarHBondContact O-CG1 3.2Å; V446-V448 PolarHBondContact O-N 3.31Å
447	A	95.4	Very high	97.3	Very high	24 Å²	24	35.1 Å²	35.1	20%	0.198	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	128.3	177.3	0	0	0	0	0	110.8	L537 L539	A447-L537 HydrophobicContact CB-CB 4.41Å; A447-L537 HydrophobicContact CB-CD2 3.9Å; A447-L537 HydrophobicContact CB-CG 3.99Å; A447-L539 HydrophobicContact CB-CD2 4.21Å
448	V	94.5	Very high	97.2	Very high	48 Å²	48	37.6 Å²	37.6	29%	0.291	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	-25	-172.5	-59.3	0	0	0	0	114.3	V441 V443 V446 V461	V441-V448 HydrophobicContact CB-CG2 3.71Å; V441-V448 HydrophobicContact CG1-CG2 3.43Å; V441-V448 VanDerWaalsContact CG1-CG2 3.43Å; V441-V448 WeakPolarHBondContact O-CG2 3.36Å; V441-V448 PolarHBondContact O-N 3.27Å; V443-V448 HydrophobicContact CB-CG1 4.3Å; V443-V448 HydrophobicContact CG2-CG1 4.08Å; V443-V448 HydrophobicContact CG2-CG2 4.36Å; V446-V448 WeakPolarHBondContact O-CG1 3.2Å; V446-V448 PolarHBondContact O-N 3.31Å; V448-V461 HydrophobicContact CG2-CG1 3.89Å
449	G	95.7	Very high	97.2	Very high	12 Å²	12	37.5 Å²	37.5	12%	0.124	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.2	178.3	179.7	0	0	0	0	0	114.6	V441	V441-G449 PolarHBondContact N-O 2.69Å
450	V	98.3	Very high	97.1	Very high	24 Å²	24	42 Å²	42	15%	0.145	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	124.8	178.1	-175.6	0	0	0	0	109.9	R438 A439 Y440 V456 L537	R438-V450 HydrophobicContact CG-CG1 3.63Å; A439-V450 CarbonylContact O-C 3.47Å; A439-V450 VanDerWaalsContact O-CA 3.27Å; A439-V450 WeakPolarHBondContact O-CA 3.35Å; Y440-V450 HydrophobicContact CD1-CG1 4.32Å; Y440-V450 HydrophobicContact CD1-CG2 3.94Å; Y440-V450 HydrophobicContact CE1-CG1 4.3Å; Y440-V450 HydrophobicContact CE1-CG2 4.38Å; V450-V456 WeakPolarHBondContact O-CG1 3.38Å; V450-L537 HydrophobicContact CG2-CD1 3.8Å; V450-L537 HydrophobicContact CG2-CD2 4.19Å
451	L	98.6	Very high	97	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	140	166.7	-62.8	165.7	0	0	0	108.9	V435 R438 A439 V441 V456 L457 V459	V435-L451 HydrophobicContact CB-CB 4.41Å; V435-L451 HydrophobicContact CG1-CB 4.16Å; V435-L451 HydrophobicContact CG2-CB 4.05Å; V435-L451 HydrophobicContact CG2-CD1 3.92Å; R438-L451 WeakPolarHBondContact CA-O 3.3Å; A439-L451 HydrophobicContact CB-CB 4.22Å; A439-L451 PolarHBondContact N-O 2.87Å; A439-L451 PolarHBondContact O-N 3.27Å; V441-L451 HydrophobicContact CG2-CD1 4.28Å; V441-L451 HydrophobicContact CG2-CG 4.45Å; L451-V456 CarbonylContact C-O 3.17Å; L451-V456 WeakPolarHBondContact CA-O 3.34Å; L451-V456 WeakPolarHBondContact CD2-O 3.14Å; L451-L457 VanDerWaalsContact CD2-C 3.41Å; L451-V459 HydrophobicContact CD2-CG1 3.94Å; L451-V459 HydrophobicContact CD2-CG2 4.26Å; L451-V459 HydrophobicContact CG-CG1 4.23Å; L451-V459 HydrophobicContact CG-CG2 4.31Å
452	E	98.5	Very high	96.9	Very high	23 Å²	23	45.3 Å²	45.3	11%	0.107	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	125.7	-178.4	-175.9	173.9	176.1	0	0	109.8	R438 N454 K455 V456 R586	R438-E452 IonicContact CZ-OE2 3.03Å; R438-E452 IonicContact NH1-OE1 3.68Å; R438-E452 IonicContact NH1-OE2 2.74Å; R438-E452 PolarHBondContact NH1-OE2 2.81Å; R438-E452 IonicContact NH2-OE2 2.66Å; E452-N454 PolarHBondContact O-N 2.85Å; E452-K455 HydrophobicContact CB-CB 4.2Å; E452-K455 HydrophobicContact CG-CB 4.09Å; E452-K455 HydrophobicContact CG-CD 4.33Å; E452-K455 HydrophobicContact CG-CG 4.35Å; E452-K455 PolarHBondContact O-N 2.92Å; E452-K455 WeakPolarHBondContact OE1-CD 3.44Å; E452-K455 WeakPolarHBondContact OE1-CE 3.43Å; E452-K455 IonicContact OE1-NZ 2.74Å; E452-K455 PolarHBondContact OE1-NZ 2.7Å; E452-V456 HydrophobicContact CB-CB 4.26Å; E452-V456 HydrophobicContact CB-CG2 4.44Å; E452-V456 PolarHBondContact N-O 2.64Å; E452-V456 PolarHBondContact O-N 3.06Å; E452-R586 IonicContact OE1-CZ 3.67Å; E452-R586 IonicContact OE1-NH1 3.76Å; E452-R586 PolarHBondContact OE1-NH1 2.72Å; E452-R586 IonicContact OE1-NH2 3.73Å; E452-R586 IonicContact OE2-NH1 3.22Å
453	R	98.6	Very high	96.7	Very high	24 Å²	24	45.9 Å²	45.9	9%	0.091	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-45.8	130	174.2	-170.3	172.7	178.5	177.6	2.7	111	Y320 V435 H436 D437 K455 D487	Y320-R453 HydrophobicContact CD1-CB 4.38Å; Y320-R453 HydrophobicContact CD1-CG 4.48Å; Y320-R453 HydrophobicContact CG-CG 4.3Å; V435-R453 WeakPolarHBondContact O-CB 3.47Å; H436-R453 PolarHBondContact CE1-NH2 3.09Å; H436-R453 PolarHBondContact NE2-NE 2.7Å; D437-R453 WeakPolarHBondContact O-CB 3.14Å; D437-R453 PolarHBondContact O-N 3.29Å; D437-R453 VanDerWaalsContact OD1-CD 3.31Å; D437-R453 WeakPolarHBondContact OD1-CD 3.14Å; D437-R453 IonicContact OD1-CZ 2.67Å; D437-R453 IonicContact OD1-NE 2.7Å; D437-R453 IonicContact OD1-NH1 2.86Å; D437-R453 PolarHBondContact OD1-NH1 2.72Å; R453-K455 PolarHBondContact O-N 2.84Å; R453-D487 IonicContact CZ-OD1 3.79Å; R453-D487 VanDerWaalsContact CZ-OD1 3.26Å; R453-D487 IonicContact NH1-OD1 2.77Å; R453-D487 PolarHBondContact NH1-OD1 2.62Å; R453-D487 IonicContact NH1-OD2 3.35Å; R453-D487 PolarHBondContact NH1-OD2 3.4Å; R453-D487 VanDerWaalsContact NH1-OD2 3.12Å; R453-D487 IonicContact NH2-OD1 2.69Å; R453-D487 PolarHBondContact NH2-OD1 2.67Å
454	N	97.2	Very high	96.7	Very high	79 Å²	79	50.5 Å²	50.5	42%	0.422	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	63	-2.7	-178.2	-57	-26.7	0	0	0	116.7	Y320 N433 E452	Y320-N454 WeakPolarHBondContact CB-ND2 3.39Å; Y320-N454 PolarHBondContact N-ND2 2.89Å; N433-N454 PolarHBondContact ND2-OD1 2.97Å; N433-N454 PolarHBondContact OD1-N 2.62Å; E452-N454 PolarHBondContact O-N 2.85Å
455	K	96.2	Very high	96.8	Very high	113 Å²	113	48.6 Å²	48.6	49%	0.491	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125	-52.3	-173	-59	-166.4	-162.4	153.5	0	114.3	E452 R453	E452-K455 HydrophobicContact CB-CB 4.2Å; E452-K455 HydrophobicContact CG-CB 4.09Å; E452-K455 HydrophobicContact CG-CD 4.33Å; E452-K455 HydrophobicContact CG-CG 4.35Å; E452-K455 PolarHBondContact O-N 2.92Å; E452-K455 WeakPolarHBondContact OE1-CD 3.44Å; E452-K455 WeakPolarHBondContact OE1-CE 3.43Å; E452-K455 IonicContact OE1-NZ 2.74Å; E452-K455 PolarHBondContact OE1-NZ 2.7Å; R453-K455 PolarHBondContact O-N 2.84Å
456	V	97.9	Very high	97	Very high	58 Å²	58	49.5 Å²	49.5	35%	0.352	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-125.9	97.6	-176.3	-174.8	0	0	0	0	108.2	V450 L451 E452 V459	V450-V456 WeakPolarHBondContact O-CG1 3.38Å; L451-V456 CarbonylContact C-O 3.17Å; L451-V456 WeakPolarHBondContact CA-O 3.34Å; L451-V456 WeakPolarHBondContact CD2-O 3.14Å; E452-V456 HydrophobicContact CB-CB 4.26Å; E452-V456 HydrophobicContact CB-CG2 4.44Å; E452-V456 PolarHBondContact N-O 2.64Å; E452-V456 PolarHBondContact O-N 3.06Å; V456-V459 HydrophobicContact CG1-CG1 4.42Å
457	L	97.9	Very high	97.2	Very high	68 Å²	68	45.3 Å²	45.3	36%	0.356	28%	0.276	S	S	.	.			trans	-96.3	-5.1	-174.9	-52.6	-172	0	0	0	113.4	S429 S430 N433 L451	S429-L457 CarbonylContact C-O 3.54Å; S429-L457 WeakPolarHBondContact CA-O 3.21Å; S430-L457 PolarHBondContact N-O 2.75Å; N433-L457 HydrophobicContact CB-CD1 4.22Å; N433-L457 HydrophobicContact CB-CD2 4.01Å; N433-L457 WeakPolarHBondContact OD1-CD2 3.37Å; L451-L457 VanDerWaalsContact CD2-C 3.41Å
458	S	98.1	Very high	97.3	Very high	53 Å²	53	47.4 Å²	47.4	37%	0.371	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	141.1	179.8	-167.8	0	0	0	0	111.1	P427 L428	P427-S458 WeakPolarHBondContact CB-OG 3.15Å; L428-S458 WeakPolarHBondContact O-CA 3.3Å; L428-S458 PolarHBondContact O-OG 3.31Å
459	V	97.4	Very high	97.5	Very high	17 Å²	17	45.2 Å²	45.2	10%	0.103	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	151.1	167.3	-65.1	0	0	0	0	108.3	P427 L428 V441 L451 V456 V461	P427-V459 CarbonylContact C-O 3.25Å; L428-V459 HydrophobicContact CB-CG2 4.25Å; L428-V459 HydrophobicContact CD2-CG2 4.39Å; L428-V459 PolarHBondContact N-O 3.3Å; L428-V459 PolarHBondContact O-N 3.43Å; V441-V459 HydrophobicContact CG2-CG2 4.18Å; L451-V459 HydrophobicContact CD2-CG1 3.94Å; L451-V459 HydrophobicContact CD2-CG2 4.26Å; L451-V459 HydrophobicContact CG-CG1 4.23Å; L451-V459 HydrophobicContact CG-CG2 4.31Å; V456-V459 HydrophobicContact CG1-CG1 4.42Å; V459-V461 HydrophobicContact CG2-CG1 4.48Å
460	N	97.4	Very high	97.7	Very high	95 Å²	95	44.7 Å²	44.7	51%	0.508	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	138.7	175.8	-74.2	-24.9	0	0	0	110.2	P425 T426 P427	P425-N460 HydrophobicContact CB-CB 3.87Å; T426-N460 WeakPolarHBondContact O-CA 3.3Å; P427-N460 WeakPolarHBondContact CA-OD1 3.34Å
461	V	96.4	Very high	97.7	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.012	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	152.1	176.9	-54.3	0	0	0	0	110.9	L418 T426 L428 V443 V448 V459 L497	L418-V461 HydrophobicContact CD2-CG2 4.34Å; T426-V461 PolarHBondContact N-O 3.37Å; T426-V461 PolarHBondContact O-N 3.09Å; L428-V461 HydrophobicContact CB-CG1 3.84Å; L428-V461 HydrophobicContact CB-CG2 4.3Å; L428-V461 HydrophobicContact CD2-CG1 4.18Å; V443-V461 HydrophobicContact CG2-CB 4.14Å; V443-V461 HydrophobicContact CG2-CG1 4.31Å; V448-V461 HydrophobicContact CG2-CG1 3.89Å; V459-V461 HydrophobicContact CG2-CG1 4.48Å; V461-L497 HydrophobicContact CG2-CD1 3.36Å
462	T	96.3	Very high	97.7	Very high	76 Å²	76	43.7 Å²	43.7	47%	0.466	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	154.1	171.8	53.5	0	0	0	0	109	C422 P425	C422-T462 WeakPolarHBondContact O-CA 3.49Å; P425-T462 HydrophobicContact CG-CG2 4.34Å
463	G	95.4	Very high	97.7	Very high	18 Å²	18	42.6 Å²	42.6	19%	0.186	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.4	174.4	-177.8	0	0	0	0	0	112.6	C422	C422-G463 CarbonylContact C-O 3.57Å; C422-G463 WeakPolarHBondContact CA-O 3.27Å; C422-G463 PolarHBondContact N-O 2.83Å; C422-G463 PolarHBondContact O-N 2.76Å
464	N	97.4	Very high	97.7	Very high	105 Å²	105	41.5 Å²	41.5	56%	0.561	25%	0.248	S	C	*	.			trans	-93.1	161.7	178.5	-64.8	-40.6	0	0	0	110.6	L418 G466 S467	L418-N464 WeakPolarHBondContact CB-O 3.27Å; N464-G466 PolarHBondContact O-N 2.78Å; N464-S467 PolarHBondContact N-OG 2.8Å; N464-S467 WeakPolarHBondContact O-CB 3.35Å; N464-S467 PolarHBondContact O-N 2.75Å; N464-S467 PolarHBondContact O-OG 2.95Å
465	A	97.5	Very high	97.8	Very high	54 Å²	54	37.7 Å²	37.7	45%	0.446	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	130.8	167.6	0	0	0	0	0	109.3	N421 S467	N421-A465 WeakPolarHBondContact OD1-CB 3.4Å; N421-A465 PolarHBondContact OD1-N 2.82Å; A465-S467 VanDerWaalsContact C-N 3.34Å
466	G	97.7	Very high	97.9	Very high	51 Å²	51	32.8 Å²	32.8	53%	0.526	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	-9.5	-174.4	0	0	0	0	0	115.3	L418 N464 Q468	L418-G466 PolarHBondContact O-N 3.28Å; N464-G466 PolarHBondContact O-N 2.78Å; G466-Q468 PolarHBondContact O-N 2.92Å
467	S	98.1	Very high	98	Very high	7 Å²	7	30 Å²	30	5%	0.049	19%	0.19	C	C	.	.			trans	-55.4	136	171.3	-76.5	0	0	0	0	110.5	T417 L418 D444 N464 A465	T417-S467 CarbonylContact C-O 3.23Å; T417-S467 WeakPolarHBondContact CA-O 3.39Å; L418-S467 PolarHBondContact N-O 3.1Å; D444-S467 WeakPolarHBondContact OD1-CA 3.38Å; D444-S467 WeakPolarHBondContact OD2-CB 3.34Å; D444-S467 PolarHBondContact OD2-OG 2.58Å; N464-S467 PolarHBondContact N-OG 2.8Å; N464-S467 WeakPolarHBondContact O-CB 3.35Å; N464-S467 PolarHBondContact O-N 2.75Å; N464-S467 PolarHBondContact O-OG 2.95Å; A465-S467 VanDerWaalsContact C-N 3.34Å
468	Q	98.5	Very high	98	Very high	68 Å²	68	26.8 Å²	26.8	32%	0.318	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	129.4	-178.7	-174.6	174.1	-76.4	0	0	110.1	R415 V443 D444 G466 D470	R415-Q468 HydrophobicContact CG-CG 3.88Å; V443-Q468 CarbonylContact C-O 3.55Å; V443-Q468 VanDerWaalsContact CA-O 3.26Å; V443-Q468 WeakPolarHBondContact CA-O 3.15Å; D444-Q468 PolarHBondContact N-O 3.06Å; D444-Q468 PolarHBondContact OD1-N 3.37Å; G466-Q468 PolarHBondContact O-N 2.92Å; Q468-D470 PolarHBondContact NE2-OD2 3.21Å
469	V	98.6	Very high	98.1	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.012	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	121.5	172.1	-175.5	0	0	0	0	108.1	R415 T416 L418 L428 V441 V443 I471	R415-V469 WeakPolarHBondContact CA-O 3.46Å; T416-V469 HydrophobicContact CG2-CB 4.09Å; T416-V469 PolarHBondContact N-O 2.84Å; T416-V469 PolarHBondContact O-N 3.45Å; L418-V469 HydrophobicContact CD2-CG2 3.44Å; L418-V469 VanDerWaalsContact CD2-CG2 3.44Å; L418-V469 HydrophobicContact CG-CG2 3.78Å; L428-V469 HydrophobicContact CD2-CG1 4.48Å; V441-V469 HydrophobicContact CG1-CG1 4.45Å; V443-V469 HydrophobicContact CG2-CG2 4.37Å; V469-I471 HydrophobicContact CG1-CD1 4.31Å; V469-I471 HydrophobicContact CG1-CG1 4.07Å
470	D	98.8	Very high	98.1	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	132.7	176.4	-77.1	-67.5	0	0	0	109.7	L382 L413 R415 V441 S442 Q468	L382-D470 HydrophobicContact CD1-CB 4.28Å; L382-D470 HydrophobicContact CD2-CB 3.77Å; L413-D470 HydrophobicContact CD1-CB 4.04Å; R415-D470 IonicContact CZ-OD1 3.26Å; R415-D470 VanDerWaalsContact CZ-OD1 3.22Å; R415-D470 IonicContact NE-OD1 3.42Å; R415-D470 PolarHBondContact NE-OD1 3.36Å; R415-D470 IonicContact NE-OD2 2.69Å; R415-D470 IonicContact NH2-OD1 2.78Å; R415-D470 PolarHBondContact NH2-OD1 2.82Å; R415-D470 IonicContact NH2-OD2 3.96Å; V441-D470 WeakPolarHBondContact CA-O 3.35Å; S442-D470 PolarHBondContact N-O 3.25Å; S442-D470 PolarHBondContact O-N 2.95Å; S442-D470 WeakPolarHBondContact OG-CB 3.42Å; Q468-D470 PolarHBondContact NE2-OD2 3.21Å
471	I	98.8	Very high	98.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	98.4	-178.2	-52.8	-178	0	0	0	107.7	Y414 L428 A439 V441 V469 V473 L495 W505	Y414-I471 PolarHBondContact N-O 3.23Å; Y414-I471 PolarHBondContact O-N 3.06Å; L428-I471 HydrophobicContact CD2-CD1 4.2Å; A439-I471 HydrophobicContact CB-CG2 3.62Å; V441-I471 HydrophobicContact CG1-CG1 4.43Å; V469-I471 HydrophobicContact CG1-CD1 4.31Å; V469-I471 HydrophobicContact CG1-CG1 4.07Å; I471-V473 HydrophobicContact CG2-CG2 3.92Å; I471-V473 PolarHBondContact O-N 2.96Å; I471-L495 HydrophobicContact CD1-CD1 3.31Å; I471-W505 HydrophobicContact CD1-CH2 3.86Å; I471-W505 HydrophobicContact CD1-CZ3 4.1Å
472	L	98.9	Very high	98.2	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.021	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	113.1	173.7	-177.9	68.4	0	0	0	108.5	V381 F411 L413 A439 Y440 L510 P540 L612	V381-L472 HydrophobicContact CB-CD2 4.43Å; V381-L472 HydrophobicContact CG1-CD1 4.01Å; V381-L472 HydrophobicContact CG1-CD2 4.23Å; V381-L472 HydrophobicContact CG2-CD2 4.18Å; F411-L472 HydrophobicContact CB-CD1 3.9Å; F411-L472 HydrophobicContact CD1-CD2 4.45Å; F411-L472 HydrophobicContact CD1-CG 4.43Å; L413-L472 HydrophobicContact CB-CD1 4.39Å; L413-L472 HydrophobicContact CD1-CB 4.39Å; A439-L472 CarbonylContact C-O 3.58Å; A439-L472 VanDerWaalsContact CA-O 3.31Å; A439-L472 WeakPolarHBondContact CA-O 3.18Å; Y440-L472 HydrophobicContact CD2-CB 4.32Å; Y440-L472 HydrophobicContact CD2-CD2 4.26Å; Y440-L472 HydrophobicContact CD2-CG 4.35Å; Y440-L472 VanDerWaalsContact CD2-O 3.31Å; Y440-L472 WeakPolarHBondContact CD2-O 3.46Å; Y440-L472 PolarHBondContact N-O 2.81Å; Y440-L472 PolarHBondContact O-N 3.35Å; L472-L510 HydrophobicContact CD1-CD1 3.65Å; L472-P540 HydrophobicContact CD2-CB 3.61Å; L472-P540 HydrophobicContact CD2-CG 3.73Å; L472-L612 HydrophobicContact CD2-CD2 4.15Å
473	V	98.9	Very high	98.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	131.6	179.8	-173.9	0	0	0	0	109.9	F402 F411 V412 Y414 R438 A439 I471 L491	F402-V473 HydrophobicContact CE2-CB 4.28Å; F402-V473 HydrophobicContact CE2-CG1 4.23Å; F402-V473 WeakPolarHBondContact CZ-O 3.2Å; F411-V473 VanDerWaalsContact CA-O 3.28Å; F411-V473 WeakPolarHBondContact CA-O 3.27Å; V412-V473 PolarHBondContact N-O 3.1Å; V412-V473 PolarHBondContact O-N 2.73Å; Y414-V473 HydrophobicContact CD2-CB 4.24Å; Y414-V473 HydrophobicContact CD2-CG2 3.6Å; Y414-V473 HydrophobicContact CE2-CB 3.97Å; Y414-V473 HydrophobicContact CE2-CG2 3.7Å; R438-V473 CarbonylContact O-C 3.56Å; R438-V473 WeakPolarHBondContact O-CA 3.42Å; A439-V473 HydrophobicContact CB-CG2 3.97Å; I471-V473 HydrophobicContact CG2-CG2 3.92Å; I471-V473 PolarHBondContact O-N 2.96Å; V473-L491 HydrophobicContact CG2-CD2 3.92Å; V473-L491 HydrophobicContact CG2-CG 4.13Å
474	E	98.9	Very high	98.4	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	131.4	174.2	-179.5	-171.2	-178.5	0	0	110.8	F411 D437 R438 Y440 M476 K569 R581	F411-E474 HydrophobicContact CD1-CB 3.75Å; F411-E474 HydrophobicContact CD1-CG 4Å; F411-E474 HydrophobicContact CE1-CB 3.64Å; F411-E474 HydrophobicContact CE1-CG 3.49Å; F411-E474 VanDerWaalsContact CE1-CG 3.49Å; F411-E474 HydrophobicContact CZ-CG 4.09Å; D437-E474 PolarHBondContact N-O 2.79Å; R438-E474 PolarHBondContact O-N 3.3Å; Y440-E474 HydrophobicContact CE2-CB 4.24Å; Y440-E474 PolarHBondContact OH-OE2 3.43Å; Y440-E474 VanDerWaalsContact OH-OE2 3.09Å; E474-M476 VanDerWaalsContact CD-CG 3.5Å; E474-M476 HydrophobicContact CG-CG 3.93Å; E474-K569 IonicContact OE1-NZ 2.87Å; E474-K569 PolarHBondContact OE1-NZ 3.21Å; E474-K569 IonicContact OE2-NZ 3.22Å; E474-K569 PolarHBondContact OE2-NZ 2.92Å; E474-R581 IonicContact OE1-NH1 3.62Å; E474-R581 PolarHBondContact OE1-NH1 3.11Å
475	N	98.9	Very high	98.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.134	C	C	.	.			trans	-80.4	109.5	158.9	172.4	11.1	0	0	0	109	F402 S408 G410 G477 R478 K489 R581	F402-N475 HydrophobicContact CD1-CB 4.07Å; F402-N475 HydrophobicContact CE1-CB 3.55Å; F402-N475 HydrophobicContact CZ-CB 4.13Å; S408-N475 PolarHBondContact O-ND2 3.23Å; G410-N475 PolarHBondContact O-N 3.22Å; N475-G477 VanDerWaalsContact C-N 3.3Å; N475-G477 PolarHBondContact O-N 3.4Å; N475-G477 PolarHBondContact OD1-N 2.99Å; N475-R478 PolarHBondContact ND2-NH1 2.76Å; N475-K489 HydrophobicContact CB-CB 4.15Å; N475-K489 HydrophobicContact CB-CD 4.39Å; N475-K489 HydrophobicContact CB-CG 4.07Å; N475-K489 WeakPolarHBondContact OD1-CD 3.41Å; N475-K489 WeakPolarHBondContact OD1-CE 3.04Å; N475-R581 PolarHBondContact O-NH1 3.5Å; N475-R581 PolarHBondContact O-NH2 3.38Å
476	M	98.9	Very high	98.5	Very high	10 Å²	10	24.2 Å²	24.2	5%	0.049	13%	0.132	C	C	.	.			trans	-86.4	2.2	-177.4	-75.4	176.7	57.6	0	0	113.8	N314 Y320 A322 D437 R438 E474 W583	N314-M476 PolarHBondContact ND2-O 2.73Å; Y320-M476 HydrophobicContact CE1-CB 4.3Å; Y320-M476 WeakPolarHBondContact OH-CB 3.34Å; A322-M476 HydrophobicContact CB-CB 4.44Å; A322-M476 HydrophobicContact CB-CE 4.25Å; D437-M476 HydrophobicContact CB-CB 3.91Å; D437-M476 HydrophobicContact CB-CG 4.05Å; D437-M476 HydrophobicContact CB-SD 4.02Å; D437-M476 PolarHBondContact OD2-N 3.48Å; R438-M476 HydrophobicContact CB-SD 3.73Å; E474-M476 VanDerWaalsContact CD-CG 3.5Å; E474-M476 HydrophobicContact CG-CG 3.93Å; M476-W583 HydrophobicContact CE-CE3 4.35Å; M476-W583 HydrophobicContact CE-CH2 3.91Å; M476-W583 HydrophobicContact CE-CZ3 3.42Å; M476-W583 VanDerWaalsContact CE-CZ3 3.42Å
477	G	98.8	Very high	98.5	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.108	C	C	.	.			trans	118.2	129.9	-175	0	0	0	0	0	110.2	N314 Y320 N475 K489	N314-G477 WeakPolarHBondContact O-CA 3.42Å; Y320-G477 WeakPolarHBondContact CE2-O 3.39Å; Y320-G477 PolarHBondContact OH-O 2.96Å; N475-G477 VanDerWaalsContact C-N 3.3Å; N475-G477 PolarHBondContact O-N 3.4Å; N475-G477 PolarHBondContact OD1-N 2.99Å; G477-K489 PolarHBondContact O-NZ 3.14Å
478	R	98.9	Very high	98.5	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.113	C	C	.	.			trans	-71	144.1	176.4	-73.2	-179.5	-177.3	76.7	6.8	111.1	D127 M128 G315 A316 S408 N475 N480 D487 K489	D127-R478 IonicContact OD1-NH1 3.74Å; D127-R478 PolarHBondContact OD1-NH1 2.87Å; D127-R478 WeakPolarHBondContact OD2-CB 3.39Å; D127-R478 PolarHBondContact OD2-N 2.79Å; D127-R478 IonicContact OD2-NH1 2.94Å; M128-R478 HydrophobicContact CB-CB 3.75Å; M128-R478 HydrophobicContact CB-CG 4.4Å; M128-R478 HydrophobicContact CG-CB 4.11Å; M128-R478 PolarHBondContact N-O 2.69Å; M128-R478 WeakPolarHBondContact SD-CD 3.25Å; G315-R478 CarbonylContact C-O 3.54Å; G315-R478 VanDerWaalsContact CA-O 3.24Å; G315-R478 WeakPolarHBondContact CA-O 3.49Å; A316-R478 PolarHBondContact N-O 3.42Å; S408-R478 VanDerWaalsContact O-CZ 3.3Å; S408-R478 PolarHBondContact O-NH1 3.43Å; S408-R478 PolarHBondContact O-NH2 3.21Å; N475-R478 PolarHBondContact ND2-NH1 2.76Å; R478-N480 PolarHBondContact O-N 3.44Å; R478-D487 HydrophobicContact CB-CB 4.25Å; R478-D487 HydrophobicContact CG-CB 4.3Å; R478-K489 HydrophobicContact CG-CD 4.46Å; R478-K489 VanDerWaalsContact CG-CE 3.41Å; R478-K489 HydrophobicContact CG-CG 4.23Å
479	I	98.9	Very high	98.5	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.01	10%	0.098	C	C	.	.	B	Isolated β-bridge	trans	-54.7	131.5	172.6	-66.2	166.6	0	0	0	109.4	M128 A316 Y320 Y481 D484 I485 D487	M128-I479 WeakPolarHBondContact CA-O 3.45Å; A316-I479 HydrophobicContact CB-CG1 4.22Å; A316-I479 CarbonylContact O-C 3.49Å; A316-I479 VanDerWaalsContact O-CA 3.25Å; A316-I479 WeakPolarHBondContact O-CA 3.32Å; Y320-I479 HydrophobicContact CD2-CD1 4.21Å; Y320-I479 HydrophobicContact CD2-CG1 4Å; Y320-I479 HydrophobicContact CE2-CG1 4.32Å; I479-Y481 VanDerWaalsContact CG2-O 3.3Å; I479-Y481 WeakPolarHBondContact CG2-O 3.36Å; I479-D484 HydrophobicContact CD1-CB 3.85Å; I479-D484 HydrophobicContact CG2-CB 4.41Å; I479-I485 HydrophobicContact CG2-CG2 4.34Å; I479-D487 HydrophobicContact CB-CB 4.35Å; I479-D487 PolarHBondContact N-OD2 3.45Å; I479-D487 VanDerWaalsContact N-OD2 3.11Å
480	N	98.8	Very high	98.6	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.097	C	C	.	.			trans	-112.4	-4.2	-172.2	60.5	43.7	0	0	0	114.4	Y121 E125 W126 G315 A316 N317 Q323 R478	Y121-N480 VanDerWaalsContact CE2-O 3.26Å; Y121-N480 WeakPolarHBondContact CE2-O 3.5Å; Y121-N480 PolarHBondContact OH-O 3.3Å; E125-N480 VanDerWaalsContact CA-ND2 3.31Å; E125-N480 WeakPolarHBondContact CA-ND2 3.44Å; W126-N480 WeakPolarHBondContact O-CB 3.34Å; G315-N480 VanDerWaalsContact CA-ND2 3.29Å; G315-N480 WeakPolarHBondContact CA-ND2 3.21Å; A316-N480 PolarHBondContact N-ND2 3.05Å; A316-N480 VanDerWaalsContact N-ND2 3.15Å; A316-N480 VanDerWaalsContact O-CG 3.26Å; A316-N480 PolarHBondContact O-N 3.15Å; A316-N480 PolarHBondContact O-ND2 2.76Å; A316-N480 PolarHBondContact O-OD1 3.32Å; N317-N480 PolarHBondContact ND2-OD1 2.89Å; Q323-N480 PolarHBondContact OE1-ND2 3.4Å; Q323-N480 VanDerWaalsContact OE1-ND2 3.09Å; R478-N480 PolarHBondContact O-N 3.44Å
481	Y	98.5	Very high	98.6	Very high	86 Å²	86	20 Å²	20	34%	0.337	10%	0.097	S	C	.	.	S	Bend	trans	-142.9	147.6	-177.9	179.4	-97.6	0	0	0	111.6	S187 I479	S187-Y481 WeakPolarHBondContact CB-OH 3.35Å; I479-Y481 VanDerWaalsContact CG2-O 3.3Å; I479-Y481 WeakPolarHBondContact CG2-O 3.36Å
482	G	97.6	Very high	98.5	Very high	17 Å²	17	22.5 Å²	22.5	18%	0.175	11%	0.112	C	C	.	.	S	Bend	trans	80.9	-167.2	178.9	0	0	0	0	0	113.4	Y188 D484 I485	Y188-G482 VanDerWaalsContact CE2-O 3.27Å; Y188-G482 WeakPolarHBondContact CE2-O 3.49Å; G482-D484 VanDerWaalsContact C-N 3.32Å; G482-D484 PolarHBondContact O-N 3.2Å; G482-I485 WeakPolarHBondContact O-CG2 3.38Å
483	K	97.1	Very high	98.5	Very high	131 Å²	131	23.3 Å²	23.3	57%	0.57	12%	0.118	S	C	*	.	G	3₁₀ helix	trans	-70.9	-22.9	-171.9	67.7	179.4	-175.7	175.7	0	114.6	F189 I485 N486	F189-K483 HydrophobicContact CD1-CB 3.36Å; F189-K483 HydrophobicContact CE1-CB 3.7Å; F189-K483 HydrophobicContact CG-CB 4.16Å; K483-I485 VanDerWaalsContact C-N 3.26Å; K483-I485 PolarHBondContact O-N 3.3Å; K483-N486 PolarHBondContact O-OD1 2.79Å
484	D	97.8	Very high	98.5	Very high	57 Å²	57	26 Å²	26	31%	0.305	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-89.1	19.2	-170.3	-55	-42.6	0	0	0	112.9	S318 I479 G482 N486	S318-D484 WeakPolarHBondContact CB-OD2 3.32Å; S318-D484 PolarHBondContact OG-OD2 2.96Å; I479-D484 HydrophobicContact CD1-CB 3.85Å; I479-D484 HydrophobicContact CG2-CB 4.41Å; G482-D484 VanDerWaalsContact C-N 3.32Å; G482-D484 PolarHBondContact O-N 3.2Å; D484-N486 PolarHBondContact O-N 3Å
485	I	98.5	Very high	98.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-69.1	-14.8	-179.4	56.7	166.2	0	0	0	113.5	Y121 M128 L131 L143 R144 Y188 I479 G482 K483 D487	Y121-I485 HydrophobicContact CE2-CD1 4.44Å; M128-I485 WeakPolarHBondContact CE-O 3.45Å; M128-I485 WeakPolarHBondContact CG-O 3.37Å; L131-I485 HydrophobicContact CD1-CD1 4.22Å; L143-I485 HydrophobicContact CB-CD1 4.01Å; L143-I485 HydrophobicContact CD1-CD1 4.13Å; L143-I485 HydrophobicContact CD1-CG1 4.02Å; R144-I485 HydrophobicContact CG-CD1 4.1Å; Y188-I485 HydrophobicContact CE2-CD1 3.76Å; Y188-I485 HydrophobicContact CE2-CG1 4.04Å; I479-I485 HydrophobicContact CG2-CG2 4.34Å; G482-I485 WeakPolarHBondContact O-CG2 3.38Å; K483-I485 VanDerWaalsContact C-N 3.26Å; K483-I485 PolarHBondContact O-N 3.3Å; I485-D487 PolarHBondContact O-N 3.31Å
486	N	97.7	Very high	98.5	Very high	72 Å²	72	27.5 Å²	27.5	39%	0.385	14%	0.141	S	C	.	.	S	Bend	trans	-76.3	52.8	169.6	61.1	-30.5	0	0	0	111.6	L136 L143 K483 D484 F488	L136-N486 HydrophobicContact CD2-CB 4.1Å; L143-N486 HydrophobicContact CD1-CB 4.04Å; K483-N486 PolarHBondContact O-OD1 2.79Å; D484-N486 PolarHBondContact O-N 3Å; N486-F488 PolarHBondContact O-N 3.37Å
487	D	98.7	Very high	98.4	Very high	5 Å²	5	27 Å²	27	3%	0.027	14%	0.138	C	C	.	.			trans	-88.9	88	-166.3	-166.3	23.7	0	0	0	111.9	H436 R453 R478 I479 I485 K489	H436-D487 IonicContact CE1-OD1 2.76Å; H436-D487 IonicContact ND1-OD1 3.32Å; R453-D487 IonicContact CZ-OD1 3.79Å; R453-D487 VanDerWaalsContact CZ-OD1 3.26Å; R453-D487 IonicContact NH1-OD1 2.77Å; R453-D487 PolarHBondContact NH1-OD1 2.62Å; R453-D487 IonicContact NH1-OD2 3.35Å; R453-D487 PolarHBondContact NH1-OD2 3.4Å; R453-D487 VanDerWaalsContact NH1-OD2 3.12Å; R453-D487 IonicContact NH2-OD1 2.69Å; R453-D487 PolarHBondContact NH2-OD1 2.67Å; R478-D487 HydrophobicContact CB-CB 4.25Å; R478-D487 HydrophobicContact CG-CB 4.3Å; I479-D487 HydrophobicContact CB-CB 4.35Å; I479-D487 PolarHBondContact N-OD2 3.45Å; I479-D487 VanDerWaalsContact N-OD2 3.11Å; I485-D487 PolarHBondContact O-N 3.31Å; D487-K489 IonicContact OD1-NZ 2.76Å; D487-K489 WeakPolarHBondContact OD2-CE 3.23Å; D487-K489 IonicContact OD2-NZ 3.48Å; D487-K489 PolarHBondContact OD2-NZ 3.2Å
488	F	98.7	Very high	98.3	Very high	35 Å²	35	28.6 Å²	28.6	15%	0.154	15%	0.154	C	C	.	.			trans	-61	146.2	169.1	-69.1	-88.9	0	0	0	111.1	L136 K139 T401 H436 N486 V492	L136-F488 HydrophobicContact CB-CD1 4.19Å; L136-F488 HydrophobicContact CB-CE1 3.57Å; L136-F488 HydrophobicContact CB-CE2 4.45Å; L136-F488 HydrophobicContact CB-CZ 3.7Å; L136-F488 HydrophobicContact CD2-CE2 4.45Å; L136-F488 HydrophobicContact CD2-CZ 4.38Å; L136-F488 HydrophobicContact CG-CZ 4.5Å; L136-F488 WeakPolarHBondContact O-CE1 3.41Å; L136-F488 WeakPolarHBondContact O-CZ 3.37Å; K139-F488 HydrophobicContact CD-CE1 3.53Å; K139-F488 HydrophobicContact CD-CZ 3.65Å; T401-F488 HydrophobicContact CG2-CB 4.26Å; T401-F488 HydrophobicContact CG2-CD1 4.19Å; H436-F488 WeakPolarHBondContact CB-O 3.3Å; H436-F488 PolarHBondContact ND1-O 3.36Å; N486-F488 PolarHBondContact O-N 3.37Å; F488-V492 HydrophobicContact CB-CG1 3.72Å
489	K	98.8	Very high	98	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.198	C	C	.	.			trans	-119.6	161.9	-178.3	-57.2	-64.4	-173.9	174.6	0	111.3	T401 F402 H436 D437 N475 G477 R478 D487	T401-K489 WeakPolarHBondContact CA-O 3.35Å; T401-K489 WeakPolarHBondContact CB-O 3.03Å; F402-K489 HydrophobicContact CB-CB 3.92Å; F402-K489 HydrophobicContact CD1-CB 4.09Å; F402-K489 VanDerWaalsContact CD2-C 3.48Å; F402-K489 HydrophobicContact CD2-CB 4.08Å; F402-K489 HydrophobicContact CG-CB 3.77Å; F402-K489 PolarHBondContact N-O 2.04Å; H436-K489 HydrophobicContact CB-CD 4.27Å; D437-K489 IonicContact OD1-NZ 2.8Å; D437-K489 PolarHBondContact OD1-NZ 2.92Å; D437-K489 WeakPolarHBondContact OD2-CE 3.05Å; D437-K489 IonicContact OD2-NZ 3.7Å; D437-K489 PolarHBondContact OD2-NZ 3.09Å; N475-K489 HydrophobicContact CB-CB 4.15Å; N475-K489 HydrophobicContact CB-CD 4.39Å; N475-K489 HydrophobicContact CB-CG 4.07Å; N475-K489 WeakPolarHBondContact OD1-CD 3.41Å; N475-K489 WeakPolarHBondContact OD1-CE 3.04Å; G477-K489 PolarHBondContact O-NZ 3.14Å; R478-K489 HydrophobicContact CG-CD 4.46Å; R478-K489 VanDerWaalsContact CG-CE 3.41Å; R478-K489 HydrophobicContact CG-CG 4.23Å; D487-K489 IonicContact OD1-NZ 2.76Å; D487-K489 WeakPolarHBondContact OD2-CE 3.23Å; D487-K489 IonicContact OD2-NZ 3.48Å; D487-K489 PolarHBondContact OD2-NZ 3.2Å
490	G	98.8	Very high	98	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	96.2	-152.8	-174.3	0	0	0	0	0	112.9	F402 Y414 H436 V492	F402-G490 VanDerWaalsContact CD2-N 3.29Å; F402-G490 VanDerWaalsContact CE2-CA 3.43Å; Y414-G490 WeakPolarHBondContact OH-CA 3.41Å; H436-G490 PolarHBondContact N-O 3.24Å; H436-G490 PolarHBondContact O-N 3.38Å; G490-V492 PolarHBondContact O-N 3.39Å
491	L	98.8	Very high	98	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	94.3	168.6	-60.4	-175.2	0	0	0	108.6	P399 Y414 G434 V435 V473 S493 L495 W505	P399-L491 HydrophobicContact CB-CB 3.57Å; P399-L491 HydrophobicContact CB-CD1 4.08Å; P399-L491 HydrophobicContact CB-CG 4.44Å; P399-L491 HydrophobicContact CG-CB 4.13Å; P399-L491 HydrophobicContact CG-CD1 4.12Å; Y414-L491 HydrophobicContact CD1-CB 4.35Å; Y414-L491 HydrophobicContact CD1-CD1 3.68Å; Y414-L491 HydrophobicContact CD1-CG 4Å; Y414-L491 HydrophobicContact CD2-CD1 4.23Å; Y414-L491 HydrophobicContact CD2-CG 4.12Å; Y414-L491 HydrophobicContact CE1-CB 4.04Å; Y414-L491 HydrophobicContact CE1-CD1 4.22Å; Y414-L491 HydrophobicContact CE1-CG 4.07Å; Y414-L491 HydrophobicContact CE2-CG 4.17Å; Y414-L491 HydrophobicContact CG-CD1 3.7Å; Y414-L491 HydrophobicContact CG-CG 4.04Å; Y414-L491 PolarHBondContact OH-N 2.96Å; G434-L491 CarbonylContact O-C 3.54Å; G434-L491 WeakPolarHBondContact O-CA 3.06Å; V435-L491 HydrophobicContact CG2-CD2 3.9Å; V473-L491 HydrophobicContact CG2-CD2 3.92Å; V473-L491 HydrophobicContact CG2-CG 4.13Å; L491-S493 VanDerWaalsContact C-N 3.3Å; L491-L495 HydrophobicContact CD1-CD1 3.89Å; L491-L495 HydrophobicContact CD1-CG 4.26Å; L491-L495 HydrophobicContact CD2-CD1 4.13Å; L491-L495 HydrophobicContact CD2-CD2 4.42Å; L491-L495 HydrophobicContact CD2-CG 4.39Å; L491-W505 HydrophobicContact CD1-CH2 4Å; L491-W505 HydrophobicContact CD1-CZ3 4.09Å
492	V	98.4	Very high	97.9	Very high	52 Å²	52	39.4 Å²	39.4	32%	0.315	22%	0.216	S	C	.	.			trans	-84.9	-6.6	-177.4	-56.5	0	0	0	0	113	T401 G434 H436 F488 G490	T401-V492 HydrophobicContact CG2-CB 4.48Å; T401-V492 HydrophobicContact CG2-CG1 4.07Å; G434-V492 VanDerWaalsContact CA-CG2 3.45Å; G434-V492 WeakPolarHBondContact O-CG2 3.33Å; G434-V492 PolarHBondContact O-N 3.49Å; H436-V492 HydrophobicContact CB-CG1 4.14Å; F488-V492 HydrophobicContact CB-CG1 3.72Å; G490-V492 PolarHBondContact O-N 3.39Å
493	S	98.4	Very high	98	Very high	22 Å²	22	41.9 Å²	41.9	15%	0.154	23%	0.228	C	C	.	.	S	Bend	trans	-142.5	166.6	168.3	76.9	0	0	0	0	110.2	G434 L491	G434-S493 WeakPolarHBondContact CA-OG 3.33Å; L491-S493 VanDerWaalsContact C-N 3.3Å
494	N	98.5	Very high	98	Very high	56 Å²	56	37.9 Å²	37.9	30%	0.299	22%	0.224	S	C	.	.			trans	-60.2	152.1	175.8	-68.7	-31.3	0	0	0	112.8	Y398 P399 T501	Y398-N494 VanDerWaalsContact CD1-OD1 3.23Å; Y398-N494 WeakPolarHBondContact CD1-OD1 3.45Å; P399-N494 WeakPolarHBondContact CD-OD1 3.17Å; N494-T501 HydrophobicContact CB-CG2 3.8Å
495	L	98.6	Very high	98.1	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.209	C	C	.	.			trans	-101.4	145.4	166.6	-61.7	-175.5	0	0	0	110.4	L428 S429 S430 V435 I471 L491 L502 W505	L428-L495 HydrophobicContact CD1-CB 4.18Å; L428-L495 HydrophobicContact CD1-CD1 4.39Å; S429-L495 CarbonylContact O-C 3.39Å; S429-L495 WeakPolarHBondContact O-CA 3.13Å; S430-L495 VanDerWaalsContact CB-CD2 3.49Å; V435-L495 HydrophobicContact CG2-CD2 4.18Å; I471-L495 HydrophobicContact CD1-CD1 3.31Å; L491-L495 HydrophobicContact CD1-CD1 3.89Å; L491-L495 HydrophobicContact CD1-CG 4.26Å; L491-L495 HydrophobicContact CD2-CD1 4.13Å; L491-L495 HydrophobicContact CD2-CD2 4.42Å; L491-L495 HydrophobicContact CD2-CG 4.39Å; L495-L502 PolarHBondContact O-N 3.43Å; L495-W505 HydrophobicContact CB-CZ2 4.5Å; L495-W505 HydrophobicContact CD1-CH2 4.11Å
496	N	98.5	Very high	98.1	Very high	32 Å²	32	36.5 Å²	36.5	17%	0.171	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	135.1	177.5	-71.9	0.5	0	0	0	110.5	L428 S429 T500 T501	L428-N496 CarbonylContact C-O 3.46Å; L428-N496 WeakPolarHBondContact CA-O 3.49Å; S429-N496 PolarHBondContact N-O 2.77Å; S429-N496 PolarHBondContact O-N 3.12Å; S429-N496 PolarHBondContact OG-O 3.26Å; N496-T500 CarbonylContact C-O 3.53Å; N496-T500 VanDerWaalsContact CA-O 3.28Å; N496-T500 WeakPolarHBondContact CA-O 3.45Å; N496-T501 WeakPolarHBondContact OD1-CA 3.36Å; N496-T501 PolarHBondContact OD1-OG1 2.67Å
497	L	98	Very high	98.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	106.6	166.3	-176.4	70	0	0	0	108.6	L418 P419 F420 T426 P427 L428 V461 Q499 T500 L502	L418-L497 HydrophobicContact CD2-CD1 4.38Å; L418-L497 HydrophobicContact CD2-CD2 3.7Å; P419-L497 HydrophobicContact CG-CD2 4.23Å; F420-L497 HydrophobicContact CE2-CD2 4.15Å; F420-L497 HydrophobicContact CZ-CD2 3.97Å; F420-L497 HydrophobicContact CZ-CG 4.19Å; T426-L497 HydrophobicContact CG2-CD1 3.75Å; T426-L497 HydrophobicContact CG2-CG 3.89Å; P427-L497 CarbonylContact O-C 3.53Å; P427-L497 WeakPolarHBondContact O-CA 3.4Å; L428-L497 HydrophobicContact CB-CD1 4.43Å; V461-L497 HydrophobicContact CG2-CD1 3.36Å; L497-Q499 PolarHBondContact O-N 3.23Å; L497-T500 PolarHBondContact N-O 2.88Å; L497-T500 PolarHBondContact O-N 2.95Å; L497-L502 HydrophobicContact CB-CD1 4.38Å; L497-L502 HydrophobicContact CB-CD2 3.9Å; L497-L502 HydrophobicContact CB-CG 4.09Å; L497-L502 HydrophobicContact CD2-CD2 4.32Å
498	G	95.7	Very high	98.2	Very high	32 Å²	32	34.4 Å²	34.4	33%	0.33	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.7	-117.1	-164.5	0	0	0	0	0	110.2	P427	P427-G498 PolarHBondContact O-N 2.99Å
499	Q	94.1	Very high	98.2	Very high	195 Å²	195	33.2 Å²	33.2	91%	0.911	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-1.9	176.2	-63.3	-175.5	-3.3	0	0	113.6	L497	L497-Q499 PolarHBondContact O-N 3.23Å
500	T	97.4	Very high	98.1	Very high	61 Å²	61	33.6 Å²	33.6	37%	0.374	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	124.2	-173.6	-57.4	0	0	0	0	110.6	P419 F420 N496 L497 L502	P419-T500 HydrophobicContact CG-CG2 4.47Å; F420-T500 HydrophobicContact CE1-CG2 4.33Å; N496-T500 CarbonylContact C-O 3.53Å; N496-T500 VanDerWaalsContact CA-O 3.28Å; N496-T500 WeakPolarHBondContact CA-O 3.45Å; L497-T500 PolarHBondContact N-O 2.88Å; L497-T500 PolarHBondContact O-N 2.95Å; T500-L502 PolarHBondContact O-N 3.29Å
501	T	98.4	Very high	98.1	Very high	55 Å²	55	35.8 Å²	35.8	34%	0.337	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	127.9	171.3	-64.9	0	0	0	0	110.9	Y398 N494 N496	Y398-T501 HydrophobicContact CE1-CG2 4.3Å; N494-T501 HydrophobicContact CB-CG2 3.8Å; N496-T501 WeakPolarHBondContact OD1-CA 3.36Å; N496-T501 PolarHBondContact OD1-OG1 2.67Å
502	L	98.4	Very high	98.1	Very high	4 Å²	4	35.9 Å²	35.9	2%	0.021	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-75.3	137.4	176.7	-69.8	178.5	0	0	0	111.2	T416 P419 L428 L495 L497 T500 W505	T416-L502 HydrophobicContact CG2-CD1 4.22Å; P419-L502 HydrophobicContact CG-CD2 4.08Å; L428-L502 HydrophobicContact CD1-CD1 3.47Å; L428-L502 VanDerWaalsContact CD1-CD1 3.47Å; L495-L502 PolarHBondContact O-N 3.43Å; L497-L502 HydrophobicContact CB-CD1 4.38Å; L497-L502 HydrophobicContact CB-CD2 3.9Å; L497-L502 HydrophobicContact CB-CG 4.09Å; L497-L502 HydrophobicContact CD2-CD2 4.32Å; T500-L502 PolarHBondContact O-N 3.29Å; L502-W505 HydrophobicContact CB-CZ2 3.88Å; L502-W505 PolarHBondContact O-NE1 3.39Å
503	T	98.6	Very high	98	Very high	69 Å²	69	36.5 Å²	36.5	42%	0.423	22%	0.219	S	C	.	.			trans	-135	174.8	-179.1	61.8	0	0	0	0	110.8	T397 Y398 T416	T397-T503 HydrophobicContact CG2-CG2 4.36Å; T397-T503 CarbonylContact O-C 3.53Å; T397-T503 WeakPolarHBondContact O-CA 3.22Å; T397-T503 WeakPolarHBondContact O-CB 3.44Å; Y398-T503 HydrophobicContact CD1-CG2 4.29Å; Y398-T503 HydrophobicContact CE1-CG2 3.81Å; T416-T503 PolarHBondContact OG1-O 2.86Å
504	G	98.3	Very high	98	Very high	47 Å²	47	37.8 Å²	37.8	49%	0.485	22%	0.223	S	C	.	.			trans	73.4	59.6	176.1	0	0	0	0	0	112.1	T397 T416	T397-G504 PolarHBondContact O-N 2.97Å; T416-G504 PolarHBondContact OG1-O 2.82Å
505	W	98.8	Very high	97.9	Very high	1 Å²	1	35.1 Å²	35.1	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	138.2	-176.3	-66.3	89.4	0	0	0	111.8	K395 S396 P399 Y414 R415 T416 I471 L491 L495 L502 M507	K395-W505 VanDerWaalsContact CA-O 3.3Å; K395-W505 WeakPolarHBondContact CA-O 3.47Å; S396-W505 PolarHBondContact N-O 2.89Å; S396-W505 PolarHBondContact O-N 2.72Å; P399-W505 HydrophobicContact CG-CD2 4.06Å; P399-W505 HydrophobicContact CG-CG 4.27Å; P399-W505 HydrophobicContact CG-CZ2 4Å; Y414-W505 HydrophobicContact CD1-CE3 4.46Å; R415-W505 CarbonylContact O-C 3.46Å; R415-W505 WeakPolarHBondContact O-CA 3.37Å; T416-W505 HydrophobicContact CG2-CD2 4.5Å; T416-W505 HydrophobicContact CG2-CE3 4.14Å; T416-W505 HydrophobicContact CG2-CH2 3.73Å; T416-W505 HydrophobicContact CG2-CZ2 4.1Å; T416-W505 HydrophobicContact CG2-CZ3 3.74Å; I471-W505 HydrophobicContact CD1-CH2 3.86Å; I471-W505 HydrophobicContact CD1-CZ3 4.1Å; L491-W505 HydrophobicContact CD1-CH2 4Å; L491-W505 HydrophobicContact CD1-CZ3 4.09Å; L495-W505 HydrophobicContact CB-CZ2 4.5Å; L495-W505 HydrophobicContact CD1-CH2 4.11Å; L502-W505 HydrophobicContact CB-CZ2 3.88Å; L502-W505 PolarHBondContact O-NE1 3.39Å; W505-M507 HydrophobicContact CB-CE 4.45Å; W505-M507 HydrophobicContact CB-CG 4.26Å; W505-M507 HydrophobicContact CB-SD 4.32Å
506	T	98.8	Very high	97.8	Very high	28 Å²	28	35.8 Å²	35.8	17%	0.172	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	119.4	165.1	-56.1	0	0	0	0	107.5	P393 K395 R415 Y508	P393-T506 HydrophobicContact CB-CG2 3.45Å; P393-T506 VanDerWaalsContact CB-CG2 3.45Å; P393-T506 HydrophobicContact CG-CG2 4.36Å; K395-T506 HydrophobicContact CG-CG2 4.34Å; R415-T506 WeakPolarHBondContact CA-O 3.37Å; R415-T506 WeakPolarHBondContact CB-O 3.33Å; R415-T506 PolarHBondContact N-O 3.07Å; R415-T506 PolarHBondContact O-N 3.38Å; T506-Y508 HydrophobicContact CG2-CE2 3.73Å; T506-Y508 WeakPolarHBondContact CG2-OH 3.18Å
507	M	98.8	Very high	97.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	139.1	-168.9	-61.3	164.3	-69.6	0	0	110.5	P393 V394 Q400 L405 L413 Y414 W505	P393-M507 CarbonylContact C-O 3.51Å; P393-M507 WeakPolarHBondContact CA-O 3.41Å; V394-M507 HydrophobicContact CG1-CE 4.26Å; V394-M507 PolarHBondContact N-O 2.72Å; V394-M507 PolarHBondContact O-N 3.22Å; Q400-M507 HydrophobicContact CB-CE 3.92Å; Q400-M507 HydrophobicContact CB-SD 3.83Å; Q400-M507 HydrophobicContact CG-CE 3.91Å; Q400-M507 HydrophobicContact CG-SD 4.4Å; Q400-M507 PolarHBondContact N-SD 3.06Å; L405-M507 HydrophobicContact CD1-CB 3.91Å; L405-M507 HydrophobicContact CD1-SD 4.3Å; L405-M507 HydrophobicContact CD2-CB 4.13Å; L405-M507 HydrophobicContact CD2-CE 4.28Å; L405-M507 HydrophobicContact CD2-SD 4.48Å; L413-M507 CarbonylContact O-C 3.6Å; L413-M507 VanDerWaalsContact O-CA 3.28Å; L413-M507 WeakPolarHBondContact O-CA 2.99Å; Y414-M507 HydrophobicContact CD1-CB 4.48Å; Y414-M507 HydrophobicContact CD1-CG 3.52Å; Y414-M507 HydrophobicContact CD1-SD 3.72Å; Y414-M507 HydrophobicContact CE1-CG 3.93Å; Y414-M507 HydrophobicContact CE1-SD 3.65Å; Y414-M507 HydrophobicContact CG-CG 4.26Å; W505-M507 HydrophobicContact CB-CE 4.45Å; W505-M507 HydrophobicContact CB-CG 4.26Å; W505-M507 HydrophobicContact CB-SD 4.32Å
508	Y	98.8	Very high	97.5	Very high	32 Å²	32	46.9 Å²	46.9	13%	0.125	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	116.7	-177	-56.7	-99.4	0	0	0	109.7	V385 P393 V412 L413 R415 T506	V385-Y508 HydrophobicContact CG2-CD1 3.54Å; V385-Y508 HydrophobicContact CG2-CD2 3.98Å; V385-Y508 HydrophobicContact CG2-CE1 3.93Å; V385-Y508 HydrophobicContact CG2-CE2 4.36Å; V385-Y508 HydrophobicContact CG2-CG 3.56Å; P393-Y508 HydrophobicContact CB-CD1 3.93Å; P393-Y508 HydrophobicContact CB-CE1 3.47Å; P393-Y508 VanDerWaalsContact CB-CE1 3.47Å; P393-Y508 HydrophobicContact CB-CE2 4.37Å; P393-Y508 HydrophobicContact CG-CE1 3.84Å; V412-Y508 WeakPolarHBondContact CA-O 3.43Å; V412-Y508 WeakPolarHBondContact CG1-O 3.39Å; L413-Y508 HydrophobicContact CB-CD2 4.35Å; L413-Y508 HydrophobicContact CD2-CD2 4.02Å; L413-Y508 HydrophobicContact CD2-CE2 4.5Å; L413-Y508 HydrophobicContact CG-CD2 4.3Å; L413-Y508 PolarHBondContact N-O 2.84Å; L413-Y508 PolarHBondContact O-N 3.07Å; R415-Y508 HydrophobicContact CB-CE2 4.49Å; T506-Y508 HydrophobicContact CG2-CE2 3.73Å; T506-Y508 WeakPolarHBondContact CG2-OH 3.18Å
509	S	98.4	Very high	97.4	Very high	11 Å²	11	48.2 Å²	48.2	8%	0.077	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	133.9	162.1	-61.4	0	0	0	0	108.8	S389 L405	S389-S509 WeakPolarHBondContact CA-O 3.4Å; S389-S509 WeakPolarHBondContact CB-O 3.42Å; S389-S509 PolarHBondContact OG-O 2.92Å; L405-S509 WeakPolarHBondContact CB-OG 3.37Å; L405-S509 PolarHBondContact O-OG 3.29Å
510	L	98.6	Very high	97.3	Very high	8 Å²	8	42 Å²	42	4%	0.042	24%	0.243	C	C	.	.			trans	-115.9	109.2	-172.5	-50.5	179.6	0	0	0	111.1	V381 V385 L388 F411 L413 L472 I512	V381-L510 HydrophobicContact CG1-CD1 3.88Å; V385-L510 HydrophobicContact CG2-CD2 4.35Å; L388-L510 HydrophobicContact CB-CB 4.37Å; L388-L510 HydrophobicContact CB-CD2 4Å; F411-L510 HydrophobicContact CB-CD1 4.2Å; F411-L510 WeakPolarHBondContact O-CB 3.42Å; F411-L510 WeakPolarHBondContact O-CG 3.26Å; L413-L510 HydrophobicContact CB-CD1 4.35Å; L472-L510 HydrophobicContact CD1-CD1 3.65Å; L510-I512 HydrophobicContact CB-CD1 4.05Å; L510-I512 HydrophobicContact CB-CG1 3.96Å; L510-I512 HydrophobicContact CD1-CD1 4.29Å; L510-I512 PolarHBondContact O-N 3.15Å
511	S	97.9	Very high	96.9	Very high	46 Å²	46	40 Å²	40	32%	0.322	23%	0.23	S	C	.	.			trans	-80.5	55.1	177.3	-59.5	0	0	0	0	111.7	L388 D513 E514 A515	L388-S511 PolarHBondContact O-N 2.81Å; S511-D513 PolarHBondContact O-N 3.12Å; S511-E514 PolarHBondContact O-N 3.35Å; S511-A515 PolarHBondContact O-N 3.45Å
512	I	98.4	Very high	95.5	Very high	3 Å²	3	39.3 Å²	39.3	2%	0.015	23%	0.233	C	C	.	.	H	α-helix	trans	-61.5	-47.3	-171.5	-69.1	166.3	0	0	0	112.3	L388 F411 L510 E514 A515 V516 F542 W573 L610	L388-I512 HydrophobicContact CD1-CG1 4.3Å; L388-I512 HydrophobicContact CD2-CG1 3.86Å; F411-I512 HydrophobicContact CB-CD1 4.11Å; F411-I512 HydrophobicContact CD2-CD1 3.62Å; F411-I512 HydrophobicContact CE2-CD1 4.42Å; F411-I512 HydrophobicContact CG-CD1 4.15Å; L510-I512 HydrophobicContact CB-CD1 4.05Å; L510-I512 HydrophobicContact CB-CG1 3.96Å; L510-I512 HydrophobicContact CD1-CD1 4.29Å; L510-I512 PolarHBondContact O-N 3.15Å; I512-E514 PolarHBondContact O-N 2.84Å; I512-A515 PolarHBondContact O-N 3.13Å; I512-V516 HydrophobicContact CG2-CG2 4.11Å; I512-V516 VanDerWaalsContact O-CG2 3.3Å; I512-V516 WeakPolarHBondContact O-CG2 3.36Å; I512-V516 PolarHBondContact O-N 2.9Å; I512-F542 HydrophobicContact CD1-CZ 4.25Å; I512-F542 HydrophobicContact CG1-CZ 4.14Å; I512-F542 HydrophobicContact CG2-CE1 3.78Å; I512-F542 HydrophobicContact CG2-CZ 3.93Å; I512-W573 HydrophobicContact CG2-CH2 3.59Å; I512-W573 HydrophobicContact CG2-CZ2 3.67Å; I512-L610 HydrophobicContact CD1-CD2 4.07Å
513	D	97.6	Very high	93.6	Very high	64 Å²	64	46.4 Å²	46.4	34%	0.342	27%	0.267	S	S	.	.	H	α-helix	trans	-56.4	-41	178.7	-72.7	-33.5	0	0	0	111.6	Y312 S511 R517 W573 N578	Y312-D513 VanDerWaalsContact CE2-OD2 3.28Å; Y312-D513 WeakPolarHBondContact CE2-OD2 3.36Å; S511-D513 PolarHBondContact O-N 3.12Å; D513-R517 WeakPolarHBondContact O-CB 3.04Å; D513-R517 PolarHBondContact O-N 2.86Å; D513-W573 WeakPolarHBondContact OD1-CZ2 3.38Å; D513-W573 PolarHBondContact OD1-NE1 3.19Å; D513-N578 PolarHBondContact OD1-ND2 3.27Å
514	E	96.6	Very high	91.6	Very high	49 Å²	49	47.9 Å²	47.9	23%	0.229	27%	0.268	C	S	.	.	H	α-helix	trans	-68.9	-44.3	179.5	-167.3	56.7	-155.2	0	0	111.8	F390 S511 I512 V516 R517 Q518	F390-E514 HydrophobicContact CE2-CB 3.98Å; F390-E514 HydrophobicContact CE2-CG 3.44Å; F390-E514 VanDerWaalsContact CE2-CG 3.44Å; F390-E514 HydrophobicContact CZ-CB 4.15Å; F390-E514 HydrophobicContact CZ-CG 3.85Å; S511-E514 PolarHBondContact O-N 3.35Å; I512-E514 PolarHBondContact O-N 2.84Å; E514-V516 VanDerWaalsContact C-N 3.34Å; E514-V516 PolarHBondContact O-N 3.36Å; E514-R517 PolarHBondContact O-N 3.13Å; E514-R517 IonicContact OE1-CZ 3.8Å; E514-R517 IonicContact OE1-NE 2.86Å; E514-R517 IonicContact OE1-NH2 2.68Å; E514-R517 PolarHBondContact OE1-NH2 2.99Å; E514-R517 IonicContact OE2-CZ 3.99Å; E514-R517 VanDerWaalsContact OE2-CZ 3.23Å; E514-R517 IonicContact OE2-NE 3.58Å; E514-R517 PolarHBondContact OE2-NE 2.81Å; E514-R517 VanDerWaalsContact OE2-NE 3.12Å; E514-R517 IonicContact OE2-NH2 3.72Å; E514-R517 PolarHBondContact OE2-NH2 3.4Å; E514-Q518 WeakPolarHBondContact O-CB 3.17Å; E514-Q518 WeakPolarHBondContact O-CG 3.07Å; E514-Q518 PolarHBondContact O-N 2.88Å; E514-Q518 PolarHBondContact OE1-NE2 2.76Å
515	A	96.9	Very high	89.1	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63.2	-39	176.9	0	0	0	0	0	112.5	L388 S511 I512 G519 L520	L388-A515 HydrophobicContact CD2-CB 3.71Å; S511-A515 PolarHBondContact O-N 3.45Å; I512-A515 PolarHBondContact O-N 3.13Å; A515-G519 PolarHBondContact O-N 2.84Å; A515-G519 VanDerWaalsContact O-N 3.16Å; A515-L520 HydrophobicContact CB-CB 4.35Å; A515-L520 HydrophobicContact CB-CD1 4.36Å; A515-L520 PolarHBondContact O-N 3.41Å
516	V	97.1	Very high	86.5	Confident	14 Å²	14	56.7 Å²	56.7	9%	0.085	32%	0.32	C	S	.	.	H	α-helix	trans	-67.2	-47.6	175.1	174	0	0	0	0	110.5	I512 E514 Q518 G519 L521 W573 T608	I512-V516 HydrophobicContact CG2-CG2 4.11Å; I512-V516 VanDerWaalsContact O-CG2 3.3Å; I512-V516 WeakPolarHBondContact O-CG2 3.36Å; I512-V516 PolarHBondContact O-N 2.9Å; E514-V516 VanDerWaalsContact C-N 3.34Å; E514-V516 PolarHBondContact O-N 3.36Å; V516-Q518 VanDerWaalsContact C-N 3.34Å; V516-Q518 PolarHBondContact O-N 2.88Å; V516-G519 PolarHBondContact O-N 3.42Å; V516-G519 VanDerWaalsContact O-N 3.08Å; V516-L521 HydrophobicContact CG2-CD1 3.81Å; V516-W573 HydrophobicContact CB-CG 4.48Å; V516-W573 HydrophobicContact CG1-CB 3.81Å; V516-W573 HydrophobicContact CG1-CD2 4.15Å; V516-W573 HydrophobicContact CG1-CG 3.74Å; V516-W573 HydrophobicContact CG2-CD2 4.27Å; V516-W573 HydrophobicContact CG2-CE3 4.42Å; V516-T608 HydrophobicContact CG1-CG2 4.27Å; V516-T608 HydrophobicContact CG2-CG2 4.09Å
517	R	95.7	Very high	83.8	Confident	161 Å²	161	61 Å²	61	61%	0.608	35%	0.347	S	S	*	.	H	α-helix	trans	-62.2	-38.5	-179.8	-176.2	174.7	68.9	111.4	-6.8	113	D513 E514 G519	D513-R517 WeakPolarHBondContact O-CB 3.04Å; D513-R517 PolarHBondContact O-N 2.86Å; E514-R517 PolarHBondContact O-N 3.13Å; E514-R517 IonicContact OE1-CZ 3.8Å; E514-R517 IonicContact OE1-NE 2.86Å; E514-R517 IonicContact OE1-NH2 2.68Å; E514-R517 PolarHBondContact OE1-NH2 2.99Å; E514-R517 IonicContact OE2-CZ 3.99Å; E514-R517 VanDerWaalsContact OE2-CZ 3.23Å; E514-R517 IonicContact OE2-NE 3.58Å; E514-R517 PolarHBondContact OE2-NE 2.81Å; E514-R517 VanDerWaalsContact OE2-NE 3.12Å; E514-R517 IonicContact OE2-NH2 3.72Å; E514-R517 PolarHBondContact OE2-NH2 3.4Å; R517-G519 VanDerWaalsContact C-N 3.3Å
518	Q	94.9	Very high	81	Confident	105 Å²	105	70 Å²	70	49%	0.491	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-4.5	176.9	-69.7	-172.6	16.3	0	0	113.4	E514 V516 L520	E514-Q518 WeakPolarHBondContact O-CB 3.17Å; E514-Q518 WeakPolarHBondContact O-CG 3.07Å; E514-Q518 PolarHBondContact O-N 2.88Å; E514-Q518 PolarHBondContact OE1-NE2 2.76Å; V516-Q518 VanDerWaalsContact C-N 3.34Å; V516-Q518 PolarHBondContact O-N 2.88Å; Q518-L520 VanDerWaalsContact C-N 3.3Å; Q518-L520 HydrophobicContact CB-CD1 4.24Å; Q518-L520 HydrophobicContact CB-CD2 3.93Å; Q518-L520 HydrophobicContact CB-CG 3.71Å; Q518-L520 PolarHBondContact O-N 3.28Å
519	G	92.8	Very high	78.3	Confident	59 Å²	59	79.9 Å²	79.9	61%	0.608	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	30.6	-178.4	0	0	0	0	0	113.7	A515 V516 R517 L521	A515-G519 PolarHBondContact O-N 2.84Å; A515-G519 VanDerWaalsContact O-N 3.16Å; V516-G519 PolarHBondContact O-N 3.42Å; V516-G519 VanDerWaalsContact O-N 3.08Å; R517-G519 VanDerWaalsContact C-N 3.3Å; G519-L521 VanDerWaalsContact C-N 3.25Å; G519-L521 PolarHBondContact O-N 2.98Å
520	L	92.2	Very high	75.4	Confident	66 Å²	66	86.6 Å²	86.6	35%	0.346	46%	0.461	S	S	.	.			trans	-75.8	-14.2	-176.6	-55.7	-177.4	0	0	0	113.4	T387 F390 A515 Q518 G522	T387-L520 HydrophobicContact CG2-CB 3.65Å; F390-L520 HydrophobicContact CE1-CD1 3.9Å; F390-L520 HydrophobicContact CZ-CD1 3.79Å; A515-L520 HydrophobicContact CB-CB 4.35Å; A515-L520 HydrophobicContact CB-CD1 4.36Å; A515-L520 PolarHBondContact O-N 3.41Å; Q518-L520 VanDerWaalsContact C-N 3.3Å; Q518-L520 HydrophobicContact CB-CD1 4.24Å; Q518-L520 HydrophobicContact CB-CD2 3.93Å; Q518-L520 HydrophobicContact CB-CG 3.71Å; Q518-L520 PolarHBondContact O-N 3.28Å; L520-G522 PolarHBondContact O-N 3.42Å
521	L	88.3	Confident	72.5	Confident	18 Å²	18	92.4 Å²	92.4	9%	0.094	50%	0.499	C	S	.	.			trans	-78.2	91.9	178	-59.7	175.5	0	0	0	109.2	L378 A384 L388 V516 G519 F542 T608	L378-L521 HydrophobicContact CD1-CB 3.92Å; A384-L521 HydrophobicContact CB-CD2 4.4Å; L388-L521 HydrophobicContact CD2-CD2 4.03Å; V516-L521 HydrophobicContact CG2-CD1 3.81Å; G519-L521 VanDerWaalsContact C-N 3.25Å; G519-L521 PolarHBondContact O-N 2.98Å; L521-F542 HydrophobicContact CD1-CB 4.19Å; L521-F542 HydrophobicContact CD1-CD1 3.51Å; L521-F542 HydrophobicContact CD1-CD2 4.18Å; L521-F542 HydrophobicContact CD1-CE1 3.85Å; L521-F542 HydrophobicContact CD1-CE2 4.48Å; L521-F542 HydrophobicContact CD1-CG 3.68Å; L521-F542 HydrophobicContact CD1-CZ 4.33Å; L521-F542 HydrophobicContact CD2-CD2 4.22Å; L521-F542 HydrophobicContact CD2-CE2 4.32Å; L521-T608 HydrophobicContact CD1-CG2 4.33Å
522	G	69.4	Low	69.7	Low	40 Å²	40	92.7 Å²	92.7	41%	0.412	51%	0.509	S	S	.	.	P	Polyproline II helix	trans	-76.8	165	176.3	0	0	0	0	0	113.7	L520	L520-G522 PolarHBondContact O-N 3.42Å
523	E	60	Low	67	Low	154 Å²	154	101.1 Å²	101.1	72%	0.72	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-72	126.4	168	-67.2	179.5	-178.8	0	0	109.7	L378	L378-E523 HydrophobicContact CD2-CG 3.96Å
524	Q	56.3	Low	64.9	Low	99 Å²	99	102.2 Å²	102.2	46%	0.463	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-86.1	144.9	159.5	-77.2	-166.5	-11	0	0	109.7	Q379	Q379-Q524 HydrophobicContact CB-CG 4.39Å
525	S	45.2	Very low	63.3	Low	107 Å²	107	102.8 Å²	102.8	75%	0.748	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-53.6	134.5	166.8	-59.2	0	0	0	0	108.9	T527	S525-T527 PolarHBondContact O-N 3.18Å
526	P	44.6	Very low	62.4	Low	127 Å²	127	108.9 Å²	108.9	83%	0.825	61%	0.61	S	S	*	*			trans	-58.2	106.8	-177.3	21.5	-31.6	0	0	0	109.4	Q528	P526-Q528 PolarHBondContact O-N 3.22Å
527	T	42.6	Very low	62	Low	119 Å²	119	109.5 Å²	109.5	73%	0.73	61%	0.613	S	S	*	*			trans	-57.7	130.6	160.7	47.6	0	0	0	0	106.4	S525 R529	S525-T527 PolarHBondContact O-N 3.18Å; T527-R529 PolarHBondContact O-N 3Å
528	Q	39.4	Very low	61.8	Low	189 Å²	189	102.9 Å²	102.9	88%	0.883	59%	0.591	S	S	*	*			trans	-34.7	126.4	-174.3	-84.1	178.4	-24.7	0	0	111.5	P526 D530	P526-Q528 PolarHBondContact O-N 3.22Å; Q528-D530 PolarHBondContact O-N 3.42Å
529	R	41.8	Very low	61.9	Low	238 Å²	238	99.3 Å²	99.3	90%	0.898	58%	0.575	S	S	*	*			trans	-53.1	111.9	169.8	-71.4	-178.5	-173.1	-179.3	1.7	106.9	T527 P531	T527-R529 PolarHBondContact O-N 3Å; R529-P531 WeakPolarHBondContact O-CD 3.26Å
530	D	38.4	Very low	62.1	Low	153 Å²	153	97.1 Å²	97.1	82%	0.818	55%	0.55	S	S	*	.			trans	-67	115.7	165.7	-128.5	-18.3	0	0	0	106.2	Q528 G532	Q528-D530 PolarHBondContact O-N 3.42Å; D530-G532 PolarHBondContact O-N 2.66Å
531	P	35.7	Very low	62.3	Low	129 Å²	129	94 Å²	94	84%	0.838	53%	0.533	S	S	*	.			trans	-78.3	74.2	174.3	27.7	-18.2	0	0	0	107.1	R529	R529-P531 WeakPolarHBondContact O-CD 3.26Å
532	G	41	Very low	62.8	Low	53 Å²	53	93.1 Å²	93.1	55%	0.546	53%	0.529	S	S	.	.			trans	-111.8	145.1	177.8	0	0	0	0	0	110.6	D530	D530-G532 PolarHBondContact O-N 2.66Å
533	Q	41.5	Very low	64.1	Low	179 Å²	179	91.2 Å²	91.2	84%	0.836	51%	0.509	S	S	*	.			trans	-42.5	154.9	169.8	-70.3	176.7	-15	0	0	112.3	A535	Q533-A535 PolarHBondContact O-N 3.38Å
534	P	53.4	Low	65.9	Low	88 Å²	88	86.2 Å²	86.2	57%	0.571	49%	0.487	S	S	*	.			trans	-53.7	110.3	177.7	-4.8	7.6	0	0	0	109.8	T536 Y619	P534-T536 PolarHBondContact O-N 2.85Å; P534-Y619 HydrophobicContact CB-CD1 4.24Å
535	A	62.7	Low	67.8	Low	60 Å²	60	81.8 Å²	81.8	50%	0.496	47%	0.468	S	S	.	.			trans	-64.9	136.1	176.9	0	0	0	0	0	108.3	Q533 L537	Q533-A535 PolarHBondContact O-N 3.38Å; A535-L537 WeakPolarHBondContact CB-O 3.37Å; A535-L537 PolarHBondContact O-N 3.34Å
536	T	77	Confident	70.3	Confident	128 Å²	128	80 Å²	80	79%	0.785	46%	0.456	S	S	*	.	S	Bend	trans	-65.8	-19.8	178.3	49.3	0	0	0	0	112.6	P534 K568 T614	P534-T536 PolarHBondContact O-N 2.85Å; T536-K568 PolarHBondContact O-NZ 3.38Å; T536-K568 VanDerWaalsContact O-NZ 3.13Å; T536-T614 PolarHBondContact O-OG1 2.98Å
537	L	89.1	Confident	72.8	Confident	28 Å²	28	75 Å²	75	15%	0.147	42%	0.421	C	S	.	.	S	Bend	trans	-147.5	139.1	176.4	-169.8	73.3	0	0	0	109.1	A447 V450 A535 E613	A447-L537 HydrophobicContact CB-CB 4.41Å; A447-L537 HydrophobicContact CB-CD2 3.9Å; A447-L537 HydrophobicContact CB-CG 3.99Å; V450-L537 HydrophobicContact CG2-CD1 3.8Å; V450-L537 HydrophobicContact CG2-CD2 4.19Å; A535-L537 WeakPolarHBondContact CB-O 3.37Å; A535-L537 PolarHBondContact O-N 3.34Å; L537-E613 CarbonylContact C-O 3.5Å; L537-E613 WeakPolarHBondContact CA-O 3.4Å; L537-E613 HydrophobicContact CD1-CB 4.04Å; L537-E613 HydrophobicContact CD1-CG 4.37Å; L537-E613 WeakPolarHBondContact CD1-O 3.24Å
538	S	92.4	Very high	75.5	Confident	21 Å²	21	75.6 Å²	75.6	15%	0.147	42%	0.419	C	S	.	.			trans	-115.3	161.3	172.8	61.3	0	0	0	0	111	E613 D615	S538-E613 PolarHBondContact N-O 3.47Å; S538-E613 PolarHBondContact OG-O 3.32Å; S538-D615 WeakPolarHBondContact CB-OD2 3.4Å; S538-D615 PolarHBondContact OG-OD2 3.28Å
539	L	95.4	Very high	78.3	Confident	31 Å²	31	66.7 Å²	66.7	16%	0.162	38%	0.377	C	S	.	.			trans	-63.1	139.9	173.7	-72.6	179.4	0	0	0	110.3	T380 L382 G445 A447 A541	T380-L539 HydrophobicContact CG2-CB 4.16Å; T380-L539 HydrophobicContact CG2-CD1 3.91Å; L382-L539 HydrophobicContact CD1-CD1 4.43Å; L382-L539 HydrophobicContact CD1-CD2 4.05Å; G445-L539 VanDerWaalsContact O-CD1 3.22Å; G445-L539 WeakPolarHBondContact O-CD1 3.48Å; A447-L539 HydrophobicContact CB-CD2 4.21Å; L539-A541 PolarHBondContact O-N 2.53Å
540	P	97.9	Very high	80.9	Confident	12 Å²	12	58.5 Å²	58.5	8%	0.078	36%	0.355	C	S	.	.			trans	-52	126.3	170.3	-28.5	35.7	0	0	0	111.9	T380 V381 Y440 L472 E611 L612	T380-P540 WeakPolarHBondContact CA-O 3.21Å; V381-P540 HydrophobicContact CB-CB 4.35Å; V381-P540 HydrophobicContact CG2-CB 3.84Å; V381-P540 PolarHBondContact N-O 3.42Å; Y440-P540 HydrophobicContact CG-CG 4.23Å; L472-P540 HydrophobicContact CD2-CB 3.61Å; L472-P540 HydrophobicContact CD2-CG 3.73Å; P540-E611 CarbonylContact C-O 3.58Å; P540-E611 VanDerWaalsContact CA-O 3.24Å; P540-E611 WeakPolarHBondContact CA-O 3.41Å; P540-L612 HydrophobicContact CB-CD2 4.23Å
541	A	97.1	Very high	83.5	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	152.3	-172.3	0	0	0	0	0	113.5	K377 Q379 T380 L539 Y543 E611	K377-A541 HydrophobicContact CG-CB 4.5Å; Q379-A541 WeakPolarHBondContact O-CA 3.36Å; T380-A541 HydrophobicContact CG2-CB 4.38Å; L539-A541 PolarHBondContact O-N 2.53Å; A541-Y543 HydrophobicContact CB-CE2 3.79Å; A541-Y543 WeakPolarHBondContact O-CD2 3.36Å; A541-Y543 WeakPolarHBondContact O-CE2 3.33Å; A541-E611 PolarHBondContact N-O 3.36Å; A541-E611 PolarHBondContact O-N 2.97Å
542	F	98.1	Very high	86.2	Confident	0 Å²	0	54 Å²	54	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	140.3	174.6	-64.7	-83.3	0	0	0	110.9	L378 Q379 V381 L388 I512 L521 T608 V609 L610	L378-F542 HydrophobicContact CB-CB 4.36Å; L378-F542 PolarHBondContact N-O 2.67Å; Q379-F542 PolarHBondContact O-N 2.9Å; V381-F542 HydrophobicContact CG2-CD2 4.48Å; V381-F542 HydrophobicContact CG2-CE2 3.79Å; V381-F542 HydrophobicContact CG2-CZ 4.32Å; L388-F542 HydrophobicContact CD1-CE2 3.84Å; L388-F542 HydrophobicContact CD1-CZ 4.14Å; L388-F542 HydrophobicContact CD2-CE2 4.47Å; L388-F542 HydrophobicContact CD2-CZ 4.29Å; I512-F542 HydrophobicContact CD1-CZ 4.25Å; I512-F542 HydrophobicContact CG1-CZ 4.14Å; I512-F542 HydrophobicContact CG2-CE1 3.78Å; I512-F542 HydrophobicContact CG2-CZ 3.93Å; L521-F542 HydrophobicContact CD1-CB 4.19Å; L521-F542 HydrophobicContact CD1-CD1 3.51Å; L521-F542 HydrophobicContact CD1-CD2 4.18Å; L521-F542 HydrophobicContact CD1-CE1 3.85Å; L521-F542 HydrophobicContact CD1-CE2 4.48Å; L521-F542 HydrophobicContact CD1-CG 3.68Å; L521-F542 HydrophobicContact CD1-CZ 4.33Å; L521-F542 HydrophobicContact CD2-CD2 4.22Å; L521-F542 HydrophobicContact CD2-CE2 4.32Å; F542-T608 HydrophobicContact CD1-CG2 4.16Å; F542-V609 CarbonylContact C-O 3.52Å; F542-V609 VanDerWaalsContact CA-O 3.3Å; F542-V609 WeakPolarHBondContact CA-O 3.2Å; F542-L610 HydrophobicContact CD1-CB 4.05Å; F542-L610 HydrophobicContact CD1-CD1 4.23Å; F542-L610 HydrophobicContact CD2-CD1 4.48Å; F542-L610 HydrophobicContact CE1-CB 3.88Å; F542-L610 HydrophobicContact CE1-CD1 3.97Å; F542-L610 HydrophobicContact CE1-CD2 4.16Å; F542-L610 HydrophobicContact CE1-CG 4.22Å; F542-L610 HydrophobicContact CE2-CD1 4.21Å; F542-L610 HydrophobicContact CG-CD1 4.48Å; F542-L610 HydrophobicContact CZ-CD1 3.96Å; F542-L610 HydrophobicContact CZ-CD2 4.24Å
543	Y	97.6	Very high	88.8	Confident	1 Å²	1	55.2 Å²	55.2	0%	0.004	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	142.2	175.8	-61.9	-105.8	0	0	0	108.9	Q376 K377 A541 W567 T608 V609 E611 D615 C617	Q376-Y543 CarbonylContact O-C 3.47Å; Q376-Y543 WeakPolarHBondContact O-CA 3.5Å; K377-Y543 HydrophobicContact CB-CD1 3.79Å; K377-Y543 HydrophobicContact CB-CE1 3.55Å; K377-Y543 HydrophobicContact CD-CE1 4.17Å; K377-Y543 HydrophobicContact CG-CD1 4.26Å; K377-Y543 HydrophobicContact CG-CE1 3.79Å; K377-Y543 HydrophobicContact CG-CE2 4.49Å; A541-Y543 HydrophobicContact CB-CE2 3.79Å; A541-Y543 WeakPolarHBondContact O-CD2 3.36Å; A541-Y543 WeakPolarHBondContact O-CE2 3.33Å; Y543-W567 AromaticContact CD1-CH2 3.77Å; Y543-W567 HydrophobicContact CD1-CH2 3.77Å; Y543-W567 HydrophobicContact CD1-CZ3 4.33Å; Y543-W567 AromaticContact CD2-CH2 3.84Å; Y543-W567 HydrophobicContact CD2-CH2 3.84Å; Y543-W567 AromaticContact CD2-CZ3 3.66Å; Y543-W567 HydrophobicContact CD2-CZ3 3.66Å; Y543-W567 HydrophobicContact CE1-CH2 4.33Å; Y543-W567 HydrophobicContact CE2-CH2 4.43Å; Y543-W567 HydrophobicContact CE2-CZ3 4.05Å; Y543-W567 AromaticContact CG-CH2 3.52Å; Y543-W567 HydrophobicContact CG-CH2 3.52Å; Y543-W567 AromaticContact CG-CZ3 3.87Å; Y543-W567 HydrophobicContact CG-CZ3 3.87Å; Y543-T608 CarbonylContact O-C 3.57Å; Y543-T608 WeakPolarHBondContact O-CA 3.48Å; Y543-V609 PolarHBondContact N-O 2.79Å; Y543-V609 PolarHBondContact O-N 3.32Å; Y543-E611 HydrophobicContact CD2-CB 4.41Å; Y543-E611 HydrophobicContact CE2-CB 4.08Å; Y543-D615 HydrophobicContact CE1-CB 4.23Å; Y543-D615 HydrophobicContact CE2-CB 4.29Å; Y543-D615 WeakPolarHBondContact OH-CB 3.3Å; Y543-D615 PolarHBondContact OH-OD1 3.17Å; Y543-D615 PolarHBondContact OH-OD2 3.07Å; Y543-C617 HydrophobicContact CE1-CB 4.32Å; Y543-C617 VanDerWaalsContact CE1-SG 3.52Å
544	N	96.4	Very high	91.4	Very high	48 Å²	48	52.6 Å²	52.6	26%	0.257	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	144	179.3	-174.9	32.2	0	0	0	111.1	M375 Q376 L378 V607	M375-N544 CarbonylContact C-O 3.6Å; M375-N544 WeakPolarHBondContact CA-O 3.37Å; Q376-N544 PolarHBondContact N-O 2.84Å; Q376-N544 PolarHBondContact O-N 2.92Å; L378-N544 HydrophobicContact CD1-CB 3.74Å; L378-N544 HydrophobicContact CD2-CB 3.82Å; L378-N544 HydrophobicContact CG-CB 3.75Å; N544-V607 CarbonylContact C-O 3.47Å; N544-V607 VanDerWaalsContact CA-O 3.3Å; N544-V607 WeakPolarHBondContact CA-O 3.36Å; N544-V607 PolarHBondContact OD1-O 3.18Å
545	G	96.8	Very high	93.3	Very high	6 Å²	6	54.1 Å²	54.1	6%	0.062	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	163.9	170.2	0	0	0	0	0	109.3	T374 V607	T374-G545 WeakPolarHBondContact O-CA 3.34Å; G545-V607 PolarHBondContact N-O 2.85Å; G545-V607 PolarHBondContact O-N 3.4Å
546	S	97.3	Very high	94.9	Very high	70 Å²	70	52.4 Å²	52.4	49%	0.49	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	153.9	174	63.4	0	0	0	0	111.9	N605	S546-N605 WeakPolarHBondContact CA-O 3.23Å
547	F	98.1	Very high	95.9	Very high	22 Å²	22	48.3 Å²	48.3	10%	0.096	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	153.4	174	68.4	-77.4	0	0	0	110.9	Y370 V373 I549 L599 N605 V607 F626	Y370-F547 HydrophobicContact CD1-CE2 4.18Å; Y370-F547 HydrophobicContact CD2-CE2 4.38Å; Y370-F547 HydrophobicContact CG-CD2 4.47Å; Y370-F547 HydrophobicContact CG-CE2 4.01Å; V373-F547 HydrophobicContact CG2-CB 3.78Å; V373-F547 HydrophobicContact CG2-CD1 3.93Å; V373-F547 HydrophobicContact CG2-CG 4.04Å; F547-I549 HydrophobicContact CD2-CG1 4.11Å; F547-I549 HydrophobicContact CE2-CD1 3.9Å; F547-I549 HydrophobicContact CE2-CG1 3.8Å; F547-L599 HydrophobicContact CZ-CD2 3.96Å; F547-N605 HydrophobicContact CD1-CB 3.83Å; F547-N605 HydrophobicContact CD2-CB 4.41Å; F547-N605 HydrophobicContact CE1-CB 3.46Å; F547-N605 VanDerWaalsContact CE1-CB 3.46Å; F547-N605 HydrophobicContact CE2-CB 4.1Å; F547-N605 HydrophobicContact CG-CB 4.3Å; F547-N605 HydrophobicContact CZ-CB 3.62Å; F547-N605 PolarHBondContact N-O 3.2Å; F547-N605 VanDerWaalsContact N-O 3.07Å; F547-N605 PolarHBondContact O-N 3.3Å; F547-N605 PolarHBondContact O-ND2 3.5Å; F547-V607 HydrophobicContact CD1-CG2 4.08Å; F547-V607 HydrophobicContact CE1-CG2 3.89Å; F547-F626 AromaticContact CD1-CE2 3.89Å; F547-F626 HydrophobicContact CD1-CE2 3.89Å; F547-F626 HydrophobicContact CD1-CZ 4.33Å; F547-F626 HydrophobicContact CE1-CD2 4.46Å; F547-F626 HydrophobicContact CE1-CE1 4.48Å; F547-F626 AromaticContact CE1-CE2 3.56Å; F547-F626 HydrophobicContact CE1-CE2 3.56Å; F547-F626 AromaticContact CE1-CZ 3.57Å; F547-F626 HydrophobicContact CE1-CZ 3.57Å; F547-F626 HydrophobicContact CZ-CE1 4.41Å; F547-F626 AromaticContact CZ-CE2 3.99Å; F547-F626 HydrophobicContact CZ-CE2 3.99Å; F547-F626 AromaticContact CZ-CZ 3.9Å; F547-F626 HydrophobicContact CZ-CZ 3.9Å
548	I	98.1	Very high	96.4	Very high	132 Å²	132	48.4 Å²	48.4	68%	0.677	29%	0.293	S	S	*	.			trans	-109.1	133.8	-177.5	-61.9	172.8	0	0	0	108.4	P604	I548-P604 HydrophobicContact CG1-CB 4.38Å; I548-P604 HydrophobicContact CG1-CG 4.41Å
549	I	98.2	Very high	96.7	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-103.7	125	168.3	-55.9	175.9	0	0	0	106.2	Y370 F547 D551 L556 P557 L599 T601	Y370-I549 HydrophobicContact CD1-CD1 4.34Å; Y370-I549 HydrophobicContact CD1-CG1 4.09Å; Y370-I549 HydrophobicContact CE1-CD1 3.64Å; Y370-I549 HydrophobicContact CE1-CG1 3.71Å; Y370-I549 HydrophobicContact CE1-CG2 4.18Å; F547-I549 HydrophobicContact CD2-CG1 4.11Å; F547-I549 HydrophobicContact CE2-CD1 3.9Å; F547-I549 HydrophobicContact CE2-CG1 3.8Å; I549-D551 PolarHBondContact O-N 3.5Å; I549-L556 HydrophobicContact CG2-CB 3.89Å; I549-L556 HydrophobicContact CG2-CD1 4.08Å; I549-L556 HydrophobicContact CG2-CD2 4.48Å; I549-L556 HydrophobicContact CG2-CG 4.39Å; I549-P557 HydrophobicContact CD1-CB 3.84Å; I549-P557 HydrophobicContact CG2-CB 4.45Å; I549-L599 HydrophobicContact CD1-CB 3.87Å; I549-L599 HydrophobicContact CD1-CD1 3.99Å; I549-L599 HydrophobicContact CD1-CG 4.39Å; I549-T601 HydrophobicContact CB-CG2 4.28Å; I549-T601 HydrophobicContact CG2-CG2 3.85Å
550	P	95.8	Very high	96.9	Very high	67 Å²	67	46 Å²	46	44%	0.435	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-62.6	135.3	-177.7	26.3	-35.3	0	0	0	111.2	I553 L556	P550-I553 HydrophobicContact CB-CD1 4.05Å; P550-I553 HydrophobicContact CB-CG1 4.42Å; P550-I553 HydrophobicContact CG-CD1 3.57Å; P550-I553 HydrophobicContact CG-CG1 4.27Å; P550-L556 HydrophobicContact CG-CD1 3.88Å
551	D	94.4	Very high	96.9	Very high	119 Å²	119	45.5 Å²	45.5	64%	0.636	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	158.4	175.3	-163.9	32.5	0	0	0	112.1	I549 I553 T601	I549-D551 PolarHBondContact O-N 3.5Å; D551-I553 VanDerWaalsContact C-N 3.27Å; D551-I553 PolarHBondContact O-N 2.87Å; D551-T601 WeakPolarHBondContact OD1-CB 3.47Å; D551-T601 PolarHBondContact OD1-OG1 3.43Å
552	G	93	Very high	97	Very high	69 Å²	69	45.5 Å²	45.5	71%	0.711	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.6	7.6	177.5	0	0	0	0	0	115.8	P554	G552-P554 WeakPolarHBondContact O-CD 3.46Å
553	I	95.3	Very high	96.9	Very high	78 Å²	78	48.2 Å²	48.2	40%	0.4	29%	0.287	S	S	.	.			trans	-92.3	112.7	170	-57.7	-165.5	0	0	0	108.4	P550 D551 D555 L556	P550-I553 HydrophobicContact CB-CD1 4.05Å; P550-I553 HydrophobicContact CB-CG1 4.42Å; P550-I553 HydrophobicContact CG-CD1 3.57Å; P550-I553 HydrophobicContact CG-CG1 4.27Å; D551-I553 VanDerWaalsContact C-N 3.27Å; D551-I553 PolarHBondContact O-N 2.87Å; I553-D555 PolarHBondContact O-N 3.2Å; I553-D555 VanDerWaalsContact O-N 3.07Å; I553-L556 HydrophobicContact CB-CB 4.25Å; I553-L556 HydrophobicContact CB-CD1 4.2Å; I553-L556 HydrophobicContact CB-CG 4.44Å; I553-L556 HydrophobicContact CD1-CD1 4.12Å; I553-L556 HydrophobicContact CG2-CB 4.32Å; I553-L556 HydrophobicContact CG2-CD1 4.06Å; I553-L556 HydrophobicContact CG2-CG 4.09Å; I553-L556 PolarHBondContact O-N 3Å
554	P	94.4	Very high	96.9	Very high	123 Å²	123	48.3 Å²	48.3	80%	0.799	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-32.8	-170.1	-29.5	36	0	0	0	115.6	G552	G552-P554 WeakPolarHBondContact O-CD 3.46Å
555	D	94.6	Very high	96.8	Very high	120 Å²	120	48 Å²	48	64%	0.642	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	7.2	-176.3	-60.9	-47.7	0	0	0	113.4	I553 Q558	I553-D555 PolarHBondContact O-N 3.2Å; I553-D555 VanDerWaalsContact O-N 3.07Å; D555-Q558 WeakPolarHBondContact O-CG 3.34Å; D555-Q558 PolarHBondContact O-NE2 3.22Å
556	L	96.6	Very high	96.7	Very high	25 Å²	25	49.3 Å²	49.3	13%	0.131	30%	0.301	C	S	.	.			trans	-114.7	144	174	-72.6	176.3	0	0	0	110.9	Y368 Y370 I549 P550 I553 Q558	Y368-L556 HydrophobicContact CD1-CD2 4.48Å; Y368-L556 HydrophobicContact CD2-CD2 4.24Å; Y368-L556 HydrophobicContact CG-CD2 4.2Å; Y370-L556 HydrophobicContact CE1-CD2 4.17Å; I549-L556 HydrophobicContact CG2-CB 3.89Å; I549-L556 HydrophobicContact CG2-CD1 4.08Å; I549-L556 HydrophobicContact CG2-CD2 4.48Å; I549-L556 HydrophobicContact CG2-CG 4.39Å; P550-L556 HydrophobicContact CG-CD1 3.88Å; I553-L556 HydrophobicContact CB-CB 4.25Å; I553-L556 HydrophobicContact CB-CD1 4.2Å; I553-L556 HydrophobicContact CB-CG 4.44Å; I553-L556 HydrophobicContact CD1-CD1 4.12Å; I553-L556 HydrophobicContact CG2-CB 4.32Å; I553-L556 HydrophobicContact CG2-CD1 4.06Å; I553-L556 HydrophobicContact CG2-CG 4.09Å; I553-L556 PolarHBondContact O-N 3Å; L556-Q558 HydrophobicContact CD2-CG 4.15Å
557	P	97.9	Very high	96.6	Very high	41 Å²	41	46.2 Å²	46.2	27%	0.266	28%	0.278	S	S	.	.	S	Bend	cis	-78.6	155	1.8	33.3	-33.2	0	0	0	113.1	I549 L599	I549-P557 HydrophobicContact CD1-CB 3.84Å; I549-P557 HydrophobicContact CG2-CB 4.45Å; P557-L599 HydrophobicContact CB-CB 3.78Å; P557-L599 HydrophobicContact CB-CD1 4.19Å; P557-L599 HydrophobicContact CG-CB 4.1Å
558	Q	98.6	Very high	96.5	Very high	31 Å²	31	48.2 Å²	48.2	15%	0.145	29%	0.287	C	S	.	.			trans	-113.5	161.6	171.7	-63.2	-179.5	1.7	0	0	111.7	P366 Y370 D555 L556 A596	P366-Q558 HydrophobicContact CB-CG 4.31Å; P366-Q558 HydrophobicContact CG-CG 3.94Å; Y370-Q558 PolarHBondContact OH-N 2.71Å; Y370-Q558 PolarHBondContact OH-O 2.97Å; D555-Q558 WeakPolarHBondContact O-CG 3.34Å; D555-Q558 PolarHBondContact O-NE2 3.22Å; L556-Q558 HydrophobicContact CD2-CG 4.15Å; Q558-A596 VanDerWaalsContact C-CB 3.49Å
559	D	98.9	Very high	96.5	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.011	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-56.8	148.8	170.4	-79.3	-18.4	0	0	0	110	Y60 T365 K367 Y368 F593 P595 A596	Y60-D559 VanDerWaalsContact OH-CG 3.3Å; Y60-D559 PolarHBondContact OH-OD1 2.78Å; Y60-D559 PolarHBondContact OH-OD2 3.47Å; T365-D559 WeakPolarHBondContact CB-OD2 3.46Å; T365-D559 PolarHBondContact OG1-OD2 3.12Å; K367-D559 CarbonylContact C-O 3.58Å; K367-D559 VanDerWaalsContact CA-O 3.25Å; K367-D559 WeakPolarHBondContact CA-O 3.43Å; K367-D559 HydrophobicContact CD-CB 3.48Å; K367-D559 VanDerWaalsContact CD-CB 3.48Å; Y368-D559 PolarHBondContact N-O 2.79Å; D559-F593 HydrophobicContact CB-CE2 3.97Å; D559-P595 VanDerWaalsContact OD1-CA 3.32Å; D559-P595 WeakPolarHBondContact OD1-CA 3.3Å; D559-A596 PolarHBondContact OD1-N 3Å
560	T	98.9	Very high	96.5	Very high	0 Å²	0	42 Å²	42	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	177.3	178.5	-169.4	0	0	0	0	110.4	Y368 Y370 V594 L599 F626 T627	Y368-T560 WeakPolarHBondContact O-CB 3.46Å; Y368-T560 PolarHBondContact O-OG1 2.86Å; Y370-T560 HydrophobicContact CD2-CG2 3.75Å; Y370-T560 HydrophobicContact CE2-CG2 3.67Å; T560-V594 HydrophobicContact CG2-CB 3.58Å; T560-V594 HydrophobicContact CG2-CG1 3.89Å; T560-V594 HydrophobicContact CG2-CG2 4.15Å; T560-V594 PolarHBondContact N-O 3.43Å; T560-V594 PolarHBondContact O-N 2.87Å; T560-L599 HydrophobicContact CG2-CD1 4.45Å; T560-F626 HydrophobicContact CG2-CD1 3.53Å; T560-F626 HydrophobicContact CG2-CE1 4.1Å; T560-F626 HydrophobicContact CG2-CG 4.44Å; T560-T627 PolarHBondContact OG1-O 3.08Å
561	Y	98.9	Very high	96.7	Very high	1 Å²	1	38.9 Å²	38.9	0%	0.004	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	128.9	175	-65.9	-81.6	0	0	0	109.2	A336 K367 L592 F593 F626 T627 P630	A336-Y561 VanDerWaalsContact CB-OH 3.24Å; A336-Y561 WeakPolarHBondContact CB-OH 3.43Å; K367-Y561 HydrophobicContact CD-CE2 3.93Å; K367-Y561 HydrophobicContact CG-CE2 4.19Å; Y561-L592 CarbonylContact C-O 3.58Å; Y561-L592 VanDerWaalsContact CA-O 3.29Å; Y561-L592 WeakPolarHBondContact CA-O 3.39Å; Y561-F593 HydrophobicContact CD1-CB 4.24Å; Y561-F593 HydrophobicContact CD1-CD2 4.48Å; Y561-F593 HydrophobicContact CE1-CB 3.97Å; Y561-F593 AromaticContact CE1-CD2 3.94Å; Y561-F593 HydrophobicContact CE1-CD2 3.94Å; Y561-F593 HydrophobicContact CE1-CG 4.4Å; Y561-F626 CarbonylContact O-C 3.56Å; Y561-F626 VanDerWaalsContact O-CA 3.3Å; Y561-F626 WeakPolarHBondContact O-CA 3.15Å; Y561-T627 PolarHBondContact N-O 3.34Å; Y561-T627 PolarHBondContact O-N 3.47Å; Y561-T627 PolarHBondContact O-OG1 3.12Å; Y561-P630 HydrophobicContact CD1-CB 3.96Å; Y561-P630 HydrophobicContact CE1-CB 3.65Å; Y561-P630 HydrophobicContact CE1-CG 4.27Å; Y561-P630 HydrophobicContact CE2-CB 4.34Å; Y561-P630 HydrophobicContact CE2-CG 4.34Å; Y561-P630 HydrophobicContact CG-CB 4.43Å
562	V	98.8	Very high	96.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	129.3	175.4	63	0	0	0	0	110.3	L564 I572 L579 T591 L592 V594 I624 F626	V562-L564 HydrophobicContact CG2-CD1 4.34Å; V562-I572 HydrophobicContact CG1-CD1 4.04Å; V562-I572 HydrophobicContact CG2-CD1 3.79Å; V562-L579 HydrophobicContact CG1-CD1 4.1Å; V562-T591 CarbonylContact O-C 3.55Å; V562-T591 VanDerWaalsContact O-CA 3.26Å; V562-T591 WeakPolarHBondContact O-CA 3.5Å; V562-L592 HydrophobicContact CG1-CB 3.83Å; V562-L592 PolarHBondContact N-O 3.14Å; V562-L592 PolarHBondContact O-N 3.16Å; V562-V594 HydrophobicContact CB-CG2 4.02Å; V562-V594 HydrophobicContact CG1-CG2 3.78Å; V562-I624 HydrophobicContact CG2-CB 4.38Å; V562-I624 HydrophobicContact CG2-CD1 3.68Å; V562-F626 HydrophobicContact CB-CD1 4.03Å; V562-F626 HydrophobicContact CB-CE1 3.83Å; V562-F626 HydrophobicContact CG2-CD1 4.42Å; V562-F626 HydrophobicContact CG2-CE1 4.11Å; V562-F626 HydrophobicContact CG2-CZ 4.33Å
563	K	97.2	Very high	97.2	Very high	57 Å²	57	30 Å²	30	25%	0.248	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	142.7	173.8	-175.6	-179.9	173.9	-169.4	0	109.3	P565 V590 T591 E625 I631	K563-P565 VanDerWaalsContact O-CD 3.3Å; K563-P565 WeakPolarHBondContact O-CD 3.47Å; K563-V590 HydrophobicContact CD-CG1 4.27Å; K563-V590 HydrophobicContact CG-CG1 3.93Å; K563-T591 HydrophobicContact CB-CG2 4.11Å; K563-E625 PolarHBondContact N-O 3.21Å; K563-E625 PolarHBondContact O-N 3.04Å; K563-I631 HydrophobicContact CD-CD1 4.36Å
564	L	97.1	Very high	97.3	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.016	15%	0.151	C	C	.	.			trans	-118.8	76.9	-178.6	-63.5	94.8	0	0	0	110.3	V562 G566 W567 I572 Y582 V609 I624	V562-L564 HydrophobicContact CG2-CD1 4.34Å; L564-G566 PolarHBondContact O-N 2.89Å; L564-W567 VanDerWaalsContact C-CD1 3.47Å; L564-W567 HydrophobicContact CB-CB 3.79Å; L564-W567 HydrophobicContact CB-CG 3.73Å; L564-W567 HydrophobicContact CD2-CD2 4.32Å; L564-W567 HydrophobicContact CD2-CG 4.2Å; L564-W567 PolarHBondContact O-N 3.49Å; L564-I572 HydrophobicContact CD1-CD1 4.46Å; L564-I572 HydrophobicContact CD2-CD1 4.4Å; L564-Y582 HydrophobicContact CB-CD2 4.35Å; L564-Y582 HydrophobicContact CD1-CD1 4.21Å; L564-Y582 HydrophobicContact CD1-CD2 4.34Å; L564-Y582 HydrophobicContact CD1-CG 3.93Å; L564-Y582 HydrophobicContact CD2-CD1 3.81Å; L564-Y582 HydrophobicContact CD2-CD2 4.11Å; L564-Y582 HydrophobicContact CD2-CE1 3.66Å; L564-Y582 HydrophobicContact CD2-CE2 4.01Å; L564-Y582 HydrophobicContact CD2-CG 4.03Å; L564-Y582 HydrophobicContact CG-CG 4.47Å; L564-V609 HydrophobicContact CD2-CG1 4.13Å; L564-V609 HydrophobicContact CD2-CG2 4Å; L564-I624 HydrophobicContact CB-CG2 4.45Å; L564-I624 HydrophobicContact CD2-CG2 3.86Å; L564-I624 HydrophobicContact CG-CG2 3.81Å
565	P	94.5	Very high	97.5	Very high	42 Å²	42	23.4 Å²	23.4	27%	0.273	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	126.9	-177.5	27.7	-33.5	0	0	0	111.3	K563 W567	K563-P565 VanDerWaalsContact O-CD 3.3Å; K563-P565 WeakPolarHBondContact O-CD 3.47Å; P565-W567 VanDerWaalsContact O-CD1 3.28Å; P565-W567 PolarHBondContact O-N 3.33Å
566	G	93.3	Very high	97.6	Very high	32 Å²	32	18.9 Å²	18.9	33%	0.33	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	83	-13.8	177.9	0	0	0	0	0	116.1	L564 Y619 Q620	L564-G566 PolarHBondContact O-N 2.89Å; G566-Y619 PolarHBondContact O-OH 3.49Å; G566-Q620 VanDerWaalsContact CA-NE2 3.31Å
567	W	96.1	Very high	97.7	Very high	6 Å²	6	20.1 Å²	20.1	2%	0.023	12%	0.116	C	C	.	.			trans	-72.4	157.1	168.4	-58.1	76	0	0	0	109.9	M375 Y543 L564 P565 Y582 P584 V609 E611 D615 P616 T623 I624	M375-W567 HydrophobicContact CB-CH2 4.33Å; M375-W567 HydrophobicContact CB-CZ2 4.03Å; M375-W567 HydrophobicContact CG-CH2 4.45Å; M375-W567 HydrophobicContact CG-CZ2 3.87Å; Y543-W567 AromaticContact CD1-CH2 3.77Å; Y543-W567 HydrophobicContact CD1-CH2 3.77Å; Y543-W567 HydrophobicContact CD1-CZ3 4.33Å; Y543-W567 AromaticContact CD2-CH2 3.84Å; Y543-W567 HydrophobicContact CD2-CH2 3.84Å; Y543-W567 AromaticContact CD2-CZ3 3.66Å; Y543-W567 HydrophobicContact CD2-CZ3 3.66Å; Y543-W567 HydrophobicContact CE1-CH2 4.33Å; Y543-W567 HydrophobicContact CE2-CH2 4.43Å; Y543-W567 HydrophobicContact CE2-CZ3 4.05Å; Y543-W567 AromaticContact CG-CH2 3.52Å; Y543-W567 HydrophobicContact CG-CH2 3.52Å; Y543-W567 AromaticContact CG-CZ3 3.87Å; Y543-W567 HydrophobicContact CG-CZ3 3.87Å; L564-W567 VanDerWaalsContact C-CD1 3.47Å; L564-W567 HydrophobicContact CB-CB 3.79Å; L564-W567 HydrophobicContact CB-CG 3.73Å; L564-W567 HydrophobicContact CD2-CD2 4.32Å; L564-W567 HydrophobicContact CD2-CG 4.2Å; L564-W567 PolarHBondContact O-N 3.49Å; P565-W567 VanDerWaalsContact O-CD1 3.28Å; P565-W567 PolarHBondContact O-N 3.33Å; W567-Y582 HydrophobicContact CB-CE2 3.74Å; W567-P584 WeakPolarHBondContact O-CG 3.36Å; W567-V609 HydrophobicContact CD2-CG1 4.5Å; W567-V609 HydrophobicContact CE3-CG1 3.73Å; W567-V609 HydrophobicContact CH2-CB 4.38Å; W567-V609 HydrophobicContact CH2-CG1 4.04Å; W567-V609 HydrophobicContact CZ3-CB 4.24Å; W567-V609 HydrophobicContact CZ3-CG1 3.46Å; W567-V609 VanDerWaalsContact CZ3-CG1 3.46Å; W567-E611 HydrophobicContact CE3-CB 3.71Å; W567-E611 HydrophobicContact CE3-CG 3.98Å; W567-E611 HydrophobicContact CZ3-CB 3.71Å; W567-E611 HydrophobicContact CZ3-CG 4.33Å; W567-D615 HydrophobicContact CZ3-CB 4.4Å; W567-P616 HydrophobicContact CD2-CG 4.14Å; W567-P616 HydrophobicContact CG-CG 4.18Å; W567-P616 HydrophobicContact CZ2-CG 4.26Å; W567-T623 PolarHBondContact NE1-O 2.71Å; W567-I624 HydrophobicContact CZ2-CG2 4.38Å
568	K	95.6	Very high	97.8	Very high	63 Å²	63	19 Å²	19	27%	0.274	11%	0.107	S	C	.	.			trans	-107.5	-64.9	-175.6	-79	-166.6	-175.3	164.9	0	113	T536 W583 P584 A585 E611 E613 T614	T536-K568 PolarHBondContact O-NZ 3.38Å; T536-K568 VanDerWaalsContact O-NZ 3.13Å; K568-W583 VanDerWaalsContact O-CD1 3.28Å; K568-P584 WeakPolarHBondContact O-CD 3.24Å; K568-A585 HydrophobicContact CB-CB 4.41Å; K568-A585 HydrophobicContact CG-CB 4.43Å; K568-E611 PolarHBondContact N-OE2 3.06Å; K568-E613 HydrophobicContact CB-CB 3.91Å; K568-E613 HydrophobicContact CD-CB 4Å; K568-T614 WeakPolarHBondContact CD-OG1 3.47Å; K568-T614 WeakPolarHBondContact CE-OG1 3.44Å; K568-T614 PolarHBondContact N-O 3.32Å; K568-T614 PolarHBondContact NZ-OG1 3.48Å
569	K	98.6	Very high	97.8	Very high	4 Å²	4	17.6 Å²	17.6	2%	0.017	10%	0.101	C	C	.	.	S	Bend	trans	-152.7	134.5	-175.4	-169.5	-175.7	-175.7	-60.9	0	110.6	E474 Y582 W583 E611 L612 E613	E474-K569 IonicContact OE1-NZ 2.87Å; E474-K569 PolarHBondContact OE1-NZ 3.21Å; E474-K569 IonicContact OE2-NZ 3.22Å; E474-K569 PolarHBondContact OE2-NZ 2.92Å; K569-Y582 WeakPolarHBondContact CA-O 3.27Å; K569-W583 HydrophobicContact CB-CG 4.19Å; K569-W583 HydrophobicContact CD-CD2 3.72Å; K569-W583 VanDerWaalsContact CD-CE2 3.48Å; K569-W583 HydrophobicContact CD-CE3 4.24Å; K569-W583 HydrophobicContact CD-CG 4.09Å; K569-W583 HydrophobicContact CD-CH2 4.31Å; K569-W583 HydrophobicContact CD-CZ2 3.8Å; K569-W583 HydrophobicContact CG-CB 4.28Å; K569-W583 HydrophobicContact CG-CD2 3.96Å; K569-W583 HydrophobicContact CG-CG 3.76Å; K569-E611 PolarHBondContact N-OE1 2.89Å; K569-E611 VanDerWaalsContact N-OE1 3.15Å; K569-E611 PolarHBondContact N-OE2 3.37Å; K569-E611 VanDerWaalsContact O-OE1 3.1Å; K569-L612 WeakPolarHBondContact O-CB 3.42Å; K569-L612 PolarHBondContact O-N 3.31Å; K569-E613 HydrophobicContact CB-CG 4.28Å
570	G	98.7	Very high	97.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.4	-162.5	179.5	0	0	0	0	0	115.3	R581 Y582 L610	G570-R581 WeakPolarHBondContact O-CA 3.23Å; G570-Y582 VanDerWaalsContact C-CD1 3.43Å; G570-Y582 VanDerWaalsContact CA-CZ 3.44Å; G570-Y582 PolarHBondContact N-O 3.45Å; G570-Y582 WeakPolarHBondContact O-CD1 3.17Å; G570-Y582 PolarHBondContact O-N 2.83Å; G570-L610 CarbonylContact C-O 3.58Å; G570-L610 WeakPolarHBondContact CA-O 3.35Å
571	Q	98.9	Very high	97.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	146.3	177.6	-160.4	81.4	25.1	0	0	109.2	G311 Y312 W573 N578 G580 L610	G311-Q571 PolarHBondContact O-NE2 3.49Å; Y312-Q571 VanDerWaalsContact CE1-CD 3.48Å; Y312-Q571 HydrophobicContact CE1-CG 4.25Å; Q571-W573 HydrophobicContact CB-CE3 4.49Å; Q571-W573 HydrophobicContact CB-CH2 3.46Å; Q571-W573 VanDerWaalsContact CB-CH2 3.46Å; Q571-W573 HydrophobicContact CB-CZ2 4.19Å; Q571-W573 HydrophobicContact CB-CZ3 3.63Å; Q571-W573 HydrophobicContact CG-CE3 4.39Å; Q571-W573 HydrophobicContact CG-CH2 3.39Å; Q571-W573 HydrophobicContact CG-CZ2 3.59Å; Q571-W573 HydrophobicContact CG-CZ3 3.83Å; Q571-N578 PolarHBondContact NE2-ND2 3.03Å; Q571-N578 PolarHBondContact NE2-OD1 3.41Å; Q571-G580 PolarHBondContact NE2-O 2.99Å; Q571-L610 HydrophobicContact CB-CB 4.41Å; Q571-L610 PolarHBondContact N-O 2.78Å; Q571-L610 PolarHBondContact O-N 3.3Å
572	I	98.8	Very high	97.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	139.1	179.3	-176.6	170.6	0	0	0	111.9	V562 L564 L579 G580 Y582 L592 V607 T608 V609 I624	V562-I572 HydrophobicContact CG1-CD1 4.04Å; V562-I572 HydrophobicContact CG2-CD1 3.79Å; L564-I572 HydrophobicContact CD1-CD1 4.46Å; L564-I572 HydrophobicContact CD2-CD1 4.4Å; I572-L579 HydrophobicContact CG2-CB 4.08Å; I572-L579 HydrophobicContact CG2-CD1 4.28Å; I572-L579 PolarHBondContact O-N 3.29Å; I572-G580 PolarHBondContact N-O 3.02Å; I572-Y582 HydrophobicContact CB-CD1 4.47Å; I572-Y582 HydrophobicContact CG2-CD1 4.45Å; I572-L592 HydrophobicContact CG2-CD2 3.65Å; I572-V607 HydrophobicContact CD1-CG1 3.9Å; I572-V607 HydrophobicContact CG1-CG1 4.12Å; I572-T608 CarbonylContact C-O 3.57Å; I572-T608 WeakPolarHBondContact CA-O 3.44Å; I572-V609 HydrophobicContact CB-CG2 4.34Å; I572-V609 HydrophobicContact CD1-CG2 3.94Å; I572-V609 HydrophobicContact CG1-CG2 3.93Å; I572-I624 HydrophobicContact CD1-CD1 4.4Å
573	W	98.9	Very high	97.7	Very high	1 Å²	1	18 Å²	18	0%	0.004	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	143.9	174.2	-60.8	-107.1	0	0	0	110.4	I512 D513 V516 Q571 F577 N578 V607 T608 L610	I512-W573 HydrophobicContact CG2-CH2 3.59Å; I512-W573 HydrophobicContact CG2-CZ2 3.67Å; D513-W573 WeakPolarHBondContact OD1-CZ2 3.38Å; D513-W573 PolarHBondContact OD1-NE1 3.19Å; V516-W573 HydrophobicContact CB-CG 4.48Å; V516-W573 HydrophobicContact CG1-CB 3.81Å; V516-W573 HydrophobicContact CG1-CD2 4.15Å; V516-W573 HydrophobicContact CG1-CG 3.74Å; V516-W573 HydrophobicContact CG2-CD2 4.27Å; V516-W573 HydrophobicContact CG2-CE3 4.42Å; Q571-W573 HydrophobicContact CB-CE3 4.49Å; Q571-W573 HydrophobicContact CB-CH2 3.46Å; Q571-W573 VanDerWaalsContact CB-CH2 3.46Å; Q571-W573 HydrophobicContact CB-CZ2 4.19Å; Q571-W573 HydrophobicContact CB-CZ3 3.63Å; Q571-W573 HydrophobicContact CG-CE3 4.39Å; Q571-W573 HydrophobicContact CG-CH2 3.39Å; Q571-W573 HydrophobicContact CG-CZ2 3.59Å; Q571-W573 HydrophobicContact CG-CZ3 3.83Å; W573-F577 CarbonylContact C-O 3.5Å; W573-F577 WeakPolarHBondContact CA-O 3.41Å; W573-N578 VanDerWaalsContact CD1-CB 3.45Å; W573-N578 HydrophobicContact CG-CB 4.36Å; W573-N578 VanDerWaalsContact NE1-CB 3.31Å; W573-N578 VanDerWaalsContact NE1-CG 3.31Å; W573-N578 PolarHBondContact NE1-ND2 3.01Å; W573-V607 WeakPolarHBondContact O-CA 3.28Å; W573-T608 HydrophobicContact CE3-CG2 4.4Å; W573-T608 PolarHBondContact N-O 3.37Å; W573-T608 PolarHBondContact O-N 3.1Å; W573-L610 HydrophobicContact CH2-CB 4.13Å; W573-L610 HydrophobicContact CH2-CD2 4.43Å; W573-L610 HydrophobicContact CZ3-CB 3.75Å
574	I	98.7	Very high	97.7	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	124.9	168.8	-60.7	-175.4	0	0	0	108	G576 F577 L579 V594 I598 L599 N606 V607 F626	I574-G576 PolarHBondContact O-N 2.9Å; I574-G576 VanDerWaalsContact O-N 3.16Å; I574-F577 PolarHBondContact N-O 3.06Å; I574-F577 WeakPolarHBondContact O-CB 3.35Å; I574-F577 PolarHBondContact O-N 3.49Å; I574-L579 HydrophobicContact CB-CD1 4.42Å; I574-L579 HydrophobicContact CD1-CD1 3.58Å; I574-L579 HydrophobicContact CG1-CD1 3.69Å; I574-L579 HydrophobicContact CG1-CG 4.48Å; I574-V594 HydrophobicContact CD1-CG1 3.79Å; I574-V594 HydrophobicContact CD1-CG2 4Å; I574-I598 HydrophobicContact CB-CD1 3.99Å; I574-I598 HydrophobicContact CG2-CD1 4.34Å; I574-L599 HydrophobicContact CG2-CD2 3.88Å; I574-N606 CarbonylContact C-O 3.55Å; I574-N606 VanDerWaalsContact CA-O 3.31Å; I574-N606 WeakPolarHBondContact CA-O 3.32Å; I574-V607 HydrophobicContact CG1-CG2 4.33Å; I574-F626 HydrophobicContact CD1-CE1 3.59Å; I574-F626 HydrophobicContact CD1-CZ 3.65Å
575	N	97.9	Very high	97.6	Very high	63 Å²	63	18.4 Å²	18.4	34%	0.337	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	36.4	-176.4	-59.9	-28.8	0	0	0	113.1	F577 I598 N605 N606	N575-F577 PolarHBondContact O-N 2.98Å; N575-I598 PolarHBondContact ND2-O 3.17Å; N575-N605 PolarHBondContact ND2-OD1 3.37Å; N575-N605 VanDerWaalsContact OD1-CA 3.24Å; N575-N605 WeakPolarHBondContact OD1-CA 3.47Å; N575-N606 PolarHBondContact N-O 3.03Å; N575-N606 PolarHBondContact OD1-N 3.42Å
576	G	97.3	Very high	97.6	Very high	25 Å²	25	19.2 Å²	19.2	26%	0.258	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	78	-7.2	-176.9	0	0	0	0	0	115.1	I574	I574-G576 PolarHBondContact O-N 2.9Å; I574-G576 VanDerWaalsContact O-N 3.16Å
577	F	98.6	Very high	97.8	Very high	52 Å²	52	17.7 Å²	17.7	23%	0.228	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	121.9	174	-176.2	-87.2	0	0	0	110.5	F310 W573 I574 N575 L579 I598	F310-F577 HydrophobicContact CB-CE1 4.34Å; F310-F577 HydrophobicContact CB-CZ 4.19Å; F310-F577 AromaticContact CD1-CE1 3.53Å; F310-F577 HydrophobicContact CD1-CE1 3.53Å; F310-F577 AromaticContact CD1-CZ 3.91Å; F310-F577 HydrophobicContact CD1-CZ 3.91Å; F310-F577 HydrophobicContact CD2-CZ 4.16Å; F310-F577 AromaticContact CE1-CE1 3.9Å; F310-F577 HydrophobicContact CE1-CE1 3.9Å; F310-F577 HydrophobicContact CE1-CZ 4.31Å; F310-F577 AromaticContact CG-CE1 3.92Å; F310-F577 HydrophobicContact CG-CE1 3.92Å; F310-F577 AromaticContact CG-CZ 3.82Å; F310-F577 HydrophobicContact CG-CZ 3.82Å; W573-F577 CarbonylContact C-O 3.5Å; W573-F577 WeakPolarHBondContact CA-O 3.41Å; I574-F577 PolarHBondContact N-O 3.06Å; I574-F577 WeakPolarHBondContact O-CB 3.35Å; I574-F577 PolarHBondContact O-N 3.49Å; N575-F577 PolarHBondContact O-N 2.98Å; F577-L579 HydrophobicContact CD1-CD2 3.83Å; F577-L579 HydrophobicContact CD1-CG 4.33Å; F577-L579 HydrophobicContact CE1-CD2 3.97Å; F577-L579 PolarHBondContact O-N 3.21Å; F577-I598 HydrophobicContact CB-CB 4.38Å; F577-I598 HydrophobicContact CB-CD1 3.99Å; F577-I598 HydrophobicContact CB-CG2 4.2Å; F577-I598 HydrophobicContact CD1-CD1 3.75Å; F577-I598 HydrophobicContact CD1-CG2 4.24Å; F577-I598 HydrophobicContact CD2-CG2 3.96Å; F577-I598 HydrophobicContact CE2-CG2 4.4Å; F577-I598 HydrophobicContact CG-CD1 4.07Å; F577-I598 HydrophobicContact CG-CG2 3.87Å
578	N	98.8	Very high	97.8	Very high	17 Å²	17	17.4 Å²	17.4	9%	0.091	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	101.9	179.4	-168	-21.9	0	0	0	110.8	G311 D513 Q571 W573 G580	G311-N578 PolarHBondContact N-O 3.11Å; D513-N578 PolarHBondContact OD1-ND2 3.27Å; Q571-N578 PolarHBondContact NE2-ND2 3.03Å; Q571-N578 PolarHBondContact NE2-OD1 3.41Å; W573-N578 VanDerWaalsContact CD1-CB 3.45Å; W573-N578 HydrophobicContact CG-CB 4.36Å; W573-N578 VanDerWaalsContact NE1-CB 3.31Å; W573-N578 VanDerWaalsContact NE1-CG 3.31Å; W573-N578 PolarHBondContact NE1-ND2 3.01Å; N578-G580 VanDerWaalsContact C-N 3.25Å; N578-G580 PolarHBondContact O-N 3.5Å; N578-G580 PolarHBondContact OD1-N 3Å; N578-G580 VanDerWaalsContact OD1-N 3.1Å
579	L	98.8	Very high	98	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.005	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	-24.8	-178.9	-71.3	175.7	0	0	0	113	F310 T325 V562 I572 I574 F577 L592 V594 I598	F310-L579 WeakPolarHBondContact CD1-O 3.18Å; F310-L579 HydrophobicContact CE1-CD2 4.32Å; T325-L579 WeakPolarHBondContact CG2-O 3.39Å; V562-L579 HydrophobicContact CG1-CD1 4.1Å; I572-L579 HydrophobicContact CG2-CB 4.08Å; I572-L579 HydrophobicContact CG2-CD1 4.28Å; I572-L579 PolarHBondContact O-N 3.29Å; I574-L579 HydrophobicContact CB-CD1 4.42Å; I574-L579 HydrophobicContact CD1-CD1 3.58Å; I574-L579 HydrophobicContact CG1-CD1 3.69Å; I574-L579 HydrophobicContact CG1-CG 4.48Å; F577-L579 HydrophobicContact CD1-CD2 3.83Å; F577-L579 HydrophobicContact CD1-CG 4.33Å; F577-L579 HydrophobicContact CE1-CD2 3.97Å; F577-L579 PolarHBondContact O-N 3.21Å; L579-L592 HydrophobicContact CB-CD2 4.26Å; L579-V594 HydrophobicContact CD1-CG2 3.73Å; L579-V594 HydrophobicContact CD2-CG2 4.41Å; L579-I598 HydrophobicContact CD2-CD1 3.72Å; L579-I598 HydrophobicContact CG-CD1 4.44Å
580	G	98.8	Very high	98	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	121	-163	-178.3	0	0	0	0	0	113.7	G311 Q571 I572 N578	G311-G580 WeakPolarHBondContact O-CA 3.39Å; Q571-G580 PolarHBondContact NE2-O 2.99Å; I572-G580 PolarHBondContact N-O 3.02Å; N578-G580 VanDerWaalsContact C-N 3.25Å; N578-G580 PolarHBondContact O-N 3.5Å; N578-G580 PolarHBondContact OD1-N 3Å; N578-G580 VanDerWaalsContact OD1-N 3.1Å
581	R	98.9	Very high	98	Very high	5 Å²	5	15.1 Å²	15.1	2%	0.019	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	141	-172.6	-51.1	175.5	-163.7	-93.9	4.7	110.5	N314 T325 E474 N475 G570	N314-R581 PolarHBondContact OD1-NE 3.14Å; N314-R581 PolarHBondContact OD1-NH2 2.89Å; T325-R581 WeakPolarHBondContact OG1-CA 3.49Å; T325-R581 PolarHBondContact OG1-N 3.37Å; T325-R581 PolarHBondContact OG1-O 2.93Å; E474-R581 IonicContact OE1-NH1 3.62Å; E474-R581 PolarHBondContact OE1-NH1 3.11Å; N475-R581 PolarHBondContact O-NH1 3.5Å; N475-R581 PolarHBondContact O-NH2 3.38Å; G570-R581 WeakPolarHBondContact O-CA 3.23Å
582	Y	98.8	Very high	98	Very high	1 Å²	1	15.1 Å²	15.1	0%	0.004	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	141.4	166.1	70.2	-91.2	0	0	0	110.3	L564 W567 K569 G570 I572 P584 V609 E611	L564-Y582 HydrophobicContact CB-CD2 4.35Å; L564-Y582 HydrophobicContact CD1-CD1 4.21Å; L564-Y582 HydrophobicContact CD1-CD2 4.34Å; L564-Y582 HydrophobicContact CD1-CG 3.93Å; L564-Y582 HydrophobicContact CD2-CD1 3.81Å; L564-Y582 HydrophobicContact CD2-CD2 4.11Å; L564-Y582 HydrophobicContact CD2-CE1 3.66Å; L564-Y582 HydrophobicContact CD2-CE2 4.01Å; L564-Y582 HydrophobicContact CD2-CG 4.03Å; L564-Y582 HydrophobicContact CG-CG 4.47Å; W567-Y582 HydrophobicContact CB-CE2 3.74Å; K569-Y582 WeakPolarHBondContact CA-O 3.27Å; G570-Y582 VanDerWaalsContact C-CD1 3.43Å; G570-Y582 VanDerWaalsContact CA-CZ 3.44Å; G570-Y582 PolarHBondContact N-O 3.45Å; G570-Y582 WeakPolarHBondContact O-CD1 3.17Å; G570-Y582 PolarHBondContact O-N 2.83Å; I572-Y582 HydrophobicContact CB-CD1 4.47Å; I572-Y582 HydrophobicContact CG2-CD1 4.45Å; Y582-P584 HydrophobicContact CD2-CG 4.35Å; Y582-V609 HydrophobicContact CE1-CG1 3.85Å; Y582-V609 WeakPolarHBondContact OH-CG1 3.42Å; Y582-E611 WeakPolarHBondContact CE2-OE2 3.21Å; Y582-E611 WeakPolarHBondContact OH-CA 3.46Å; Y582-E611 PolarHBondContact OH-OE2 3.46Å
583	W	98.3	Very high	98	Very high	7 Å²	7	15.5 Å²	15.5	3%	0.027	9%	0.089	C	C	.	.			trans	-150.2	60.1	174.9	-157.3	-0.9	0	0	0	112.6	W273 M476 K568 K569 A585 R586 G587	W273-W583 HydrophobicContact CB-CE3 3.68Å; W273-W583 HydrophobicContact CB-CZ3 3.91Å; W273-W583 HydrophobicContact CD2-CB 4.04Å; W273-W583 HydrophobicContact CD2-CE3 4.07Å; W273-W583 HydrophobicContact CE3-CB 3.72Å; W273-W583 AromaticContact CG-CE3 3.66Å; W273-W583 HydrophobicContact CG-CE3 3.66Å; W273-W583 HydrophobicContact CG-CZ3 4.22Å; W273-W583 HydrophobicContact CH2-CB 4.2Å; W273-W583 HydrophobicContact CZ2-CB 4.44Å; W273-W583 HydrophobicContact CZ3-CB 3.81Å; M476-W583 HydrophobicContact CE-CE3 4.35Å; M476-W583 HydrophobicContact CE-CH2 3.91Å; M476-W583 HydrophobicContact CE-CZ3 3.42Å; M476-W583 VanDerWaalsContact CE-CZ3 3.42Å; K568-W583 VanDerWaalsContact O-CD1 3.28Å; K569-W583 HydrophobicContact CB-CG 4.19Å; K569-W583 HydrophobicContact CD-CD2 3.72Å; K569-W583 VanDerWaalsContact CD-CE2 3.48Å; K569-W583 HydrophobicContact CD-CE3 4.24Å; K569-W583 HydrophobicContact CD-CG 4.09Å; K569-W583 HydrophobicContact CD-CH2 4.31Å; K569-W583 HydrophobicContact CD-CZ2 3.8Å; K569-W583 HydrophobicContact CG-CB 4.28Å; K569-W583 HydrophobicContact CG-CD2 3.96Å; K569-W583 HydrophobicContact CG-CG 3.76Å; W583-A585 PolarHBondContact O-N 2.88Å; W583-A585 VanDerWaalsContact O-N 3.11Å; W583-R586 HydrophobicContact CD2-CB 3.92Å; W583-R586 HydrophobicContact CD2-CG 3.57Å; W583-R586 HydrophobicContact CE3-CB 4.38Å; W583-R586 HydrophobicContact CE3-CG 4.12Å; W583-R586 HydrophobicContact CG-CB 3.98Å; W583-R586 HydrophobicContact CG-CG 3.98Å; W583-R586 HydrophobicContact CH2-CG 4.16Å; W583-R586 VanDerWaalsContact CH2-NH1 3.29Å; W583-R586 HydrophobicContact CZ2-CG 3.61Å; W583-R586 HydrophobicContact CZ3-CG 4.37Å; W583-R586 PolarHBondContact O-N 3.31Å; W583-G587 PolarHBondContact O-N 3.21Å
584	P	96.1	Very high	98	Very high	21 Å²	21	15.4 Å²	15.4	14%	0.136	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-22.7	-179.2	28.6	-37.6	0	0	0	112.8	W567 K568 Y582 R586 V590 V636	W567-P584 WeakPolarHBondContact O-CG 3.36Å; K568-P584 WeakPolarHBondContact O-CD 3.24Å; Y582-P584 HydrophobicContact CD2-CG 4.35Å; P584-R586 PolarHBondContact O-N 3.06Å; P584-V590 HydrophobicContact CB-CG2 4.22Å; P584-V636 WeakPolarHBondContact O-CG2 3.48Å
585	A	94.8	Very high	98	Very high	46 Å²	46	15.4 Å²	15.4	38%	0.38	9%	0.088	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-20.7	173.1	0	0	0	0	0	113.6	K568 W583	K568-A585 HydrophobicContact CB-CB 4.41Å; K568-A585 HydrophobicContact CG-CB 4.43Å; W583-A585 PolarHBondContact O-N 2.88Å; W583-A585 VanDerWaalsContact O-N 3.11Å
586	R	95.6	Very high	98	Very high	59 Å²	59	13.1 Å²	13.1	22%	0.223	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-41.5	175.7	-71	-81.9	-80.1	-89.4	-17.4	112.4	W273 E452 W583 P584	W273-R586 PolarHBondContact O-NH2 3.17Å; W273-R586 VanDerWaalsContact O-NH2 3.17Å; E452-R586 IonicContact OE1-CZ 3.67Å; E452-R586 IonicContact OE1-NH1 3.76Å; E452-R586 PolarHBondContact OE1-NH1 2.72Å; E452-R586 IonicContact OE1-NH2 3.73Å; E452-R586 IonicContact OE2-NH1 3.22Å; W583-R586 HydrophobicContact CD2-CB 3.92Å; W583-R586 HydrophobicContact CD2-CG 3.57Å; W583-R586 HydrophobicContact CE3-CB 4.38Å; W583-R586 HydrophobicContact CE3-CG 4.12Å; W583-R586 HydrophobicContact CG-CB 3.98Å; W583-R586 HydrophobicContact CG-CG 3.98Å; W583-R586 HydrophobicContact CH2-CG 4.16Å; W583-R586 VanDerWaalsContact CH2-NH1 3.29Å; W583-R586 HydrophobicContact CZ2-CG 3.61Å; W583-R586 HydrophobicContact CZ3-CG 4.37Å; W583-R586 PolarHBondContact O-N 3.31Å; P584-R586 PolarHBondContact O-N 3.06Å
587	G	96.4	Very high	98	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.086	C	C	.	.			trans	65.7	-168.9	-168.1	0	0	0	0	0	112.5	W273 G274 W583 Q589 A634	W273-G587 CarbonylContact C-O 3.59Å; W273-G587 WeakPolarHBondContact CA-O 3.44Å; W273-G587 VanDerWaalsContact CE3-O 3.26Å; G274-G587 PolarHBondContact N-O 2.81Å; W583-G587 PolarHBondContact O-N 3.21Å; G587-Q589 VanDerWaalsContact C-N 3.35Å; G587-A634 WeakPolarHBondContact CA-O 3.36Å
588	P	97.6	Very high	98	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.081	C	C	.	.	S	Bend	cis	-79	-20.6	5.9	35.3	-36.6	0	0	0	112.3	H272 S275 H277 L632 N633 A634	H272-P588 WeakPolarHBondContact O-CD 3.24Å; S275-P588 WeakPolarHBondContact O-CB 3.47Å; S275-P588 VanDerWaalsContact O-CD 3.3Å; S275-P588 WeakPolarHBondContact O-CD 3.44Å; S275-P588 WeakPolarHBondContact O-CG 3.33Å; H277-P588 HydrophobicContact CB-CB 4.23Å; H277-P588 HydrophobicContact CB-CG 4.32Å; P588-L632 CarbonylContact C-O 3.57Å; P588-L632 VanDerWaalsContact CB-O 3.22Å; P588-L632 WeakPolarHBondContact CB-O 3.27Å; P588-L632 CarbonylContact O-C 3.56Å; P588-L632 VanDerWaalsContact O-O 3.11Å; P588-N633 PolarHBondContact O-N 3.34Å; P588-A634 PolarHBondContact O-N 2.97Å
589	Q	98.4	Very high	98	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.009	8%	0.081	C	C	.	.			trans	-68.7	129.1	173.1	179.2	179.8	15.5	0	0	111.8	W273 P324 T325 G587 T591 L632	W273-Q589 HydrophobicContact CH2-CB 3.76Å; W273-Q589 HydrophobicContact CH2-CG 4.07Å; W273-Q589 HydrophobicContact CZ3-CB 3.75Å; W273-Q589 HydrophobicContact CZ3-CG 4.48Å; W273-Q589 WeakPolarHBondContact CZ3-O 3.35Å; P324-Q589 HydrophobicContact CB-CB 4.39Å; T325-Q589 VanDerWaalsContact N-OE1 3.1Å; G587-Q589 VanDerWaalsContact C-N 3.35Å; Q589-T591 VanDerWaalsContact CG-O 3.25Å; Q589-T591 WeakPolarHBondContact CG-O 3.36Å; Q589-T591 PolarHBondContact NE2-O 2.96Å; Q589-L632 HydrophobicContact CB-CD2 4.32Å; Q589-L632 HydrophobicContact CG-CD2 3.91Å
590	V	98.1	Very high	97.9	Very high	17 Å²	17	15.2 Å²	15.2	10%	0.103	9%	0.093	C	C	.	.			trans	-118.8	-34.2	174.7	165.3	0	0	0	0	111.9	K563 P584 I631 A634	K563-V590 HydrophobicContact CD-CG1 4.27Å; K563-V590 HydrophobicContact CG-CG1 3.93Å; P584-V590 HydrophobicContact CB-CG2 4.22Å; V590-I631 HydrophobicContact CB-CB 4.11Å; V590-I631 HydrophobicContact CB-CG2 3.96Å; V590-I631 HydrophobicContact CG1-CB 4.47Å; V590-I631 HydrophobicContact CG1-CG2 4.47Å; V590-I631 HydrophobicContact CG2-CG2 4.43Å; V590-I631 PolarHBondContact N-O 3.06Å; V590-A634 HydrophobicContact CB-CB 4.39Å; V590-A634 HydrophobicContact CG2-CB 3.49Å; V590-A634 VanDerWaalsContact CG2-CB 3.49Å
591	T	98.7	Very high	97.9	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	147.4	176.6	55.1	0	0	0	0	112.1	V562 K563 Q589 P630 I631	V562-T591 CarbonylContact O-C 3.55Å; V562-T591 VanDerWaalsContact O-CA 3.26Å; V562-T591 WeakPolarHBondContact O-CA 3.5Å; K563-T591 HydrophobicContact CB-CG2 4.11Å; Q589-T591 VanDerWaalsContact CG-O 3.25Å; Q589-T591 WeakPolarHBondContact CG-O 3.36Å; Q589-T591 PolarHBondContact NE2-O 2.96Å; T591-P630 WeakPolarHBondContact OG1-CA 3.44Å; T591-I631 HydrophobicContact CG2-CB 4.03Å; T591-I631 HydrophobicContact CG2-CD1 4.27Å; T591-I631 HydrophobicContact CG2-CG1 4.03Å; T591-I631 PolarHBondContact N-O 3.48Å; T591-I631 PolarHBondContact OG1-N 3.41Å
592	L	98.9	Very high	97.7	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	137.2	169.6	-75.9	70.9	0	0	0	109.8	T325 Y561 V562 I572 L579	T325-L592 HydrophobicContact CG2-CD2 4.15Å; T325-L592 HydrophobicContact CG2-CG 4.31Å; Y561-L592 CarbonylContact C-O 3.58Å; Y561-L592 VanDerWaalsContact CA-O 3.29Å; Y561-L592 WeakPolarHBondContact CA-O 3.39Å; V562-L592 HydrophobicContact CG1-CB 3.83Å; V562-L592 PolarHBondContact N-O 3.14Å; V562-L592 PolarHBondContact O-N 3.16Å; I572-L592 HydrophobicContact CG2-CD2 3.65Å; L579-L592 HydrophobicContact CB-CD2 4.26Å
593	F	98.9	Very high	97.5	Very high	7 Å²	7	23.4 Å²	23.4	3%	0.031	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	133.5	174.2	172.7	-125.2	0	0	0	111	Y60 F310 E335 A336 D559 Y561 P595	Y60-F593 HydrophobicContact CE2-CZ 4.17Å; F310-F593 HydrophobicContact CZ-CD1 4.19Å; E335-F593 HydrophobicContact CG-CB 4.01Å; E335-F593 HydrophobicContact CG-CD1 4.45Å; E335-F593 HydrophobicContact CG-CG 4.39Å; A336-F593 HydrophobicContact CB-CD2 3.93Å; A336-F593 HydrophobicContact CB-CE2 3.69Å; A336-F593 HydrophobicContact CB-CZ 4.13Å; D559-F593 HydrophobicContact CB-CE2 3.97Å; Y561-F593 HydrophobicContact CD1-CB 4.24Å; Y561-F593 HydrophobicContact CD1-CD2 4.48Å; Y561-F593 HydrophobicContact CE1-CB 3.97Å; Y561-F593 AromaticContact CE1-CD2 3.94Å; Y561-F593 HydrophobicContact CE1-CD2 3.94Å; Y561-F593 HydrophobicContact CE1-CG 4.4Å; F593-P595 HydrophobicContact CE1-CB 3.89Å; F593-P595 HydrophobicContact CE1-CG 4.41Å; F593-P595 HydrophobicContact CZ-CB 3.85Å
594	V	98.9	Very high	97.5	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	106.1	176.6	-176.9	0	0	0	0	108.3	T560 V562 I574 L579 I598 L599 F626	T560-V594 HydrophobicContact CG2-CB 3.58Å; T560-V594 HydrophobicContact CG2-CG1 3.89Å; T560-V594 HydrophobicContact CG2-CG2 4.15Å; T560-V594 PolarHBondContact N-O 3.43Å; T560-V594 PolarHBondContact O-N 2.87Å; V562-V594 HydrophobicContact CB-CG2 4.02Å; V562-V594 HydrophobicContact CG1-CG2 3.78Å; I574-V594 HydrophobicContact CD1-CG1 3.79Å; I574-V594 HydrophobicContact CD1-CG2 4Å; L579-V594 HydrophobicContact CD1-CG2 3.73Å; L579-V594 HydrophobicContact CD2-CG2 4.41Å; V594-I598 HydrophobicContact CG1-CD1 4.17Å; V594-I598 HydrophobicContact CG1-CG1 4.32Å; V594-L599 HydrophobicContact CG1-CD1 4.49Å; V594-L599 HydrophobicContact CG1-CD2 4.08Å; V594-L599 HydrophobicContact CG1-CG 4.39Å; V594-F626 HydrophobicContact CG2-CE1 4.23Å
595	P	98.8	Very high	97.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	17%	0.171	C	C	.	.			trans	-70.1	136.8	179.3	27.7	-33.3	0	0	0	111	P57 Y60 F310 D559 F593 S597 I598	P57-P595 HydrophobicContact CG-CB 3.98Å; P57-P595 HydrophobicContact CG-CG 3.9Å; Y60-P595 HydrophobicContact CD2-CB 4.37Å; Y60-P595 HydrophobicContact CE2-CB 3.63Å; F310-P595 HydrophobicContact CZ-CG 4.45Å; D559-P595 VanDerWaalsContact OD1-CA 3.32Å; D559-P595 WeakPolarHBondContact OD1-CA 3.3Å; F593-P595 HydrophobicContact CE1-CB 3.89Å; F593-P595 HydrophobicContact CE1-CG 4.41Å; F593-P595 HydrophobicContact CZ-CB 3.85Å; P595-S597 PolarHBondContact O-N 3.05Å; P595-I598 HydrophobicContact CG-CG1 4.16Å; P595-I598 HydrophobicContact CG-CG2 4.09Å; P595-I598 VanDerWaalsContact O-CG1 3.24Å; P595-I598 WeakPolarHBondContact O-CG1 3.45Å; P595-I598 PolarHBondContact O-N 3.36Å; P595-I598 VanDerWaalsContact O-N 3.15Å
596	A	98.5	Very high	97.7	Very high	14 Å²	14	27 Å²	27	12%	0.116	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-53.7	-30.3	176.6	0	0	0	0	0	112.8	Y60 Q558 D559 I598 L599	Y60-A596 WeakPolarHBondContact OH-CB 3.48Å; Y60-A596 PolarHBondContact OH-N 3.15Å; Q558-A596 VanDerWaalsContact C-CB 3.49Å; D559-A596 PolarHBondContact OD1-N 3Å; A596-I598 PolarHBondContact O-N 2.97Å; A596-I598 VanDerWaalsContact O-N 3.12Å; A596-L599 WeakPolarHBondContact O-CB 3.43Å; A596-L599 PolarHBondContact O-N 3.08Å
597	S	97.8	Very high	97.9	Very high	61 Å²	61	24.1 Å²	24.1	43%	0.427	16%	0.163	S	C	.	.	G	3₁₀ helix	trans	-63.3	-14.9	-177.9	63.6	0	0	0	0	114.9	P595	P595-S597 PolarHBondContact O-N 3.05Å
598	I	98.1	Very high	98	Very high	26 Å²	26	24.9 Å²	24.9	13%	0.133	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-100.5	-4	174.6	70.3	161	0	0	0	112.8	I574 N575 F577 L579 V594 P595 A596	I574-I598 HydrophobicContact CB-CD1 3.99Å; I574-I598 HydrophobicContact CG2-CD1 4.34Å; N575-I598 PolarHBondContact ND2-O 3.17Å; F577-I598 HydrophobicContact CB-CB 4.38Å; F577-I598 HydrophobicContact CB-CD1 3.99Å; F577-I598 HydrophobicContact CB-CG2 4.2Å; F577-I598 HydrophobicContact CD1-CD1 3.75Å; F577-I598 HydrophobicContact CD1-CG2 4.24Å; F577-I598 HydrophobicContact CD2-CG2 3.96Å; F577-I598 HydrophobicContact CE2-CG2 4.4Å; F577-I598 HydrophobicContact CG-CD1 4.07Å; F577-I598 HydrophobicContact CG-CG2 3.87Å; L579-I598 HydrophobicContact CD2-CD1 3.72Å; L579-I598 HydrophobicContact CG-CD1 4.44Å; V594-I598 HydrophobicContact CG1-CD1 4.17Å; V594-I598 HydrophobicContact CG1-CG1 4.32Å; P595-I598 HydrophobicContact CG-CG1 4.16Å; P595-I598 HydrophobicContact CG-CG2 4.09Å; P595-I598 VanDerWaalsContact O-CG1 3.24Å; P595-I598 WeakPolarHBondContact O-CG1 3.45Å; P595-I598 PolarHBondContact O-N 3.36Å; P595-I598 VanDerWaalsContact O-N 3.15Å; A596-I598 PolarHBondContact O-N 2.97Å; A596-I598 VanDerWaalsContact O-N 3.12Å
599	L	98.5	Very high	98	Very high	17 Å²	17	24.9 Å²	24.9	9%	0.089	17%	0.168	C	C	.	.			trans	-91.9	153.1	179.2	-58.9	179.3	0	0	0	110.6	Y370 F547 I549 P557 T560 I574 V594 A596 N605	Y370-L599 HydrophobicContact CE2-CD1 3.82Å; F547-L599 HydrophobicContact CZ-CD2 3.96Å; I549-L599 HydrophobicContact CD1-CB 3.87Å; I549-L599 HydrophobicContact CD1-CD1 3.99Å; I549-L599 HydrophobicContact CD1-CG 4.39Å; P557-L599 HydrophobicContact CB-CB 3.78Å; P557-L599 HydrophobicContact CB-CD1 4.19Å; P557-L599 HydrophobicContact CG-CB 4.1Å; T560-L599 HydrophobicContact CG2-CD1 4.45Å; I574-L599 HydrophobicContact CG2-CD2 3.88Å; V594-L599 HydrophobicContact CG1-CD1 4.49Å; V594-L599 HydrophobicContact CG1-CD2 4.08Å; V594-L599 HydrophobicContact CG1-CG 4.39Å; A596-L599 WeakPolarHBondContact O-CB 3.43Å; A596-L599 PolarHBondContact O-N 3.08Å; L599-N605 WeakPolarHBondContact CA-OD1 3.36Å
600	S	97.5	Very high	98	Very high	35 Å²	35	24.8 Å²	24.8	25%	0.245	17%	0.167	C	C	.	.			trans	-125.2	137.6	-177.8	-174.9	0	0	0	0	111.1	A602 A603 N605	S600-A602 PolarHBondContact OG-N 3.39Å; S600-A602 VanDerWaalsContact OG-N 3.14Å; S600-A603 PolarHBondContact OG-N 3.17Å; S600-N605 PolarHBondContact N-OD1 3.14Å; S600-N605 PolarHBondContact O-ND2 2.87Å
601	T	97.4	Very high	98.1	Very high	38 Å²	38	24.1 Å²	24.1	23%	0.233	16%	0.163	C	C	.	.	S	Bend	trans	-93.7	-18.1	163.6	58.2	0	0	0	0	111.9	I549 D551	I549-T601 HydrophobicContact CB-CG2 4.28Å; I549-T601 HydrophobicContact CG2-CG2 3.85Å; D551-T601 WeakPolarHBondContact OD1-CB 3.47Å; D551-T601 PolarHBondContact OD1-OG1 3.43Å
602	A	95.8	Very high	98	Very high	91 Å²	91	24.1 Å²	24.1	75%	0.752	16%	0.163	S	C	*	.	S	Bend	trans	-82.1	-17.5	-175.8	0	0	0	0	0	113.5	S600	S600-A602 PolarHBondContact OG-N 3.39Å; S600-A602 VanDerWaalsContact OG-N 3.14Å
603	A	95.4	Very high	97.9	Very high	49 Å²	49	25 Å²	25	41%	0.405	17%	0.167	S	C	.	.	S	Bend	trans	-149.1	158.7	-179.1	0	0	0	0	0	111.1	S600 N605	S600-A603 PolarHBondContact OG-N 3.17Å; A603-N605 PolarHBondContact O-N 3.02Å
604	P	96.9	Very high	97.6	Very high	69 Å²	69	25 Å²	25	45%	0.448	17%	0.168	S	C	.	.	P	Polyproline II helix	trans	-54.2	136.6	169.5	-24	34.3	0	0	0	111.3	I548	I548-P604 HydrophobicContact CG1-CB 4.38Å; I548-P604 HydrophobicContact CG1-CG 4.41Å
605	N	98.4	Very high	97.2	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	116.4	176	-65.8	-87.8	0	0	0	108.5	S546 F547 N575 L599 S600 A603	S546-N605 WeakPolarHBondContact CA-O 3.23Å; F547-N605 HydrophobicContact CD1-CB 3.83Å; F547-N605 HydrophobicContact CD2-CB 4.41Å; F547-N605 HydrophobicContact CE1-CB 3.46Å; F547-N605 VanDerWaalsContact CE1-CB 3.46Å; F547-N605 HydrophobicContact CE2-CB 4.1Å; F547-N605 HydrophobicContact CG-CB 4.3Å; F547-N605 HydrophobicContact CZ-CB 3.62Å; F547-N605 PolarHBondContact N-O 3.2Å; F547-N605 VanDerWaalsContact N-O 3.07Å; F547-N605 PolarHBondContact O-N 3.3Å; F547-N605 PolarHBondContact O-ND2 3.5Å; N575-N605 PolarHBondContact ND2-OD1 3.37Å; N575-N605 VanDerWaalsContact OD1-CA 3.24Å; N575-N605 WeakPolarHBondContact OD1-CA 3.47Å; L599-N605 WeakPolarHBondContact CA-OD1 3.36Å; S600-N605 PolarHBondContact N-OD1 3.14Å; S600-N605 PolarHBondContact O-ND2 2.87Å; A603-N605 PolarHBondContact O-N 3.02Å
606	N	97.7	Very high	96.8	Very high	80 Å²	80	25.8 Å²	25.8	43%	0.428	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	133.1	-179.6	-70.7	-21.8	0	0	0	110.1	I574 N575	I574-N606 CarbonylContact C-O 3.55Å; I574-N606 VanDerWaalsContact CA-O 3.31Å; I574-N606 WeakPolarHBondContact CA-O 3.32Å; N575-N606 PolarHBondContact N-O 3.03Å; N575-N606 PolarHBondContact OD1-N 3.42Å
607	V	98.4	Very high	96.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	122.3	175.6	-176.2	0	0	0	0	108.1	M375 N544 G545 F547 I572 W573 I574 V609 I624 F626	M375-V607 HydrophobicContact CE-CB 4.33Å; M375-V607 HydrophobicContact CE-CG1 4.05Å; M375-V607 HydrophobicContact SD-CG1 4.47Å; N544-V607 CarbonylContact C-O 3.47Å; N544-V607 VanDerWaalsContact CA-O 3.3Å; N544-V607 WeakPolarHBondContact CA-O 3.36Å; N544-V607 PolarHBondContact OD1-O 3.18Å; G545-V607 PolarHBondContact N-O 2.85Å; G545-V607 PolarHBondContact O-N 3.4Å; F547-V607 HydrophobicContact CD1-CG2 4.08Å; F547-V607 HydrophobicContact CE1-CG2 3.89Å; I572-V607 HydrophobicContact CD1-CG1 3.9Å; I572-V607 HydrophobicContact CG1-CG1 4.12Å; W573-V607 WeakPolarHBondContact O-CA 3.28Å; I574-V607 HydrophobicContact CG1-CG2 4.33Å; V607-V609 HydrophobicContact CG1-CG2 4.28Å; V607-I624 HydrophobicContact CB-CD1 4.33Å; V607-I624 HydrophobicContact CG1-CD1 3.58Å; V607-I624 HydrophobicContact CG2-CD1 4.2Å; V607-F626 HydrophobicContact CG2-CE2 4.33Å; V607-F626 HydrophobicContact CG2-CZ 4.08Å
608	T	98.6	Very high	95.4	Very high	16 Å²	16	28.5 Å²	28.5	10%	0.098	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	130.3	171.4	-54.5	0	0	0	0	109.7	V516 L521 F542 Y543 I572 W573	V516-T608 HydrophobicContact CG1-CG2 4.27Å; V516-T608 HydrophobicContact CG2-CG2 4.09Å; L521-T608 HydrophobicContact CD1-CG2 4.33Å; F542-T608 HydrophobicContact CD1-CG2 4.16Å; Y543-T608 CarbonylContact O-C 3.57Å; Y543-T608 WeakPolarHBondContact O-CA 3.48Å; I572-T608 CarbonylContact C-O 3.57Å; I572-T608 WeakPolarHBondContact CA-O 3.44Å; W573-T608 HydrophobicContact CE3-CG2 4.4Å; W573-T608 PolarHBondContact N-O 3.37Å; W573-T608 PolarHBondContact O-N 3.1Å
609	V	98.7	Very high	94.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	128.6	175.9	172.6	0	0	0	0	108.8	M375 F542 Y543 L564 W567 I572 Y582 V607 I624	M375-V609 HydrophobicContact CE-CB 4.27Å; M375-V609 HydrophobicContact CE-CG2 3.85Å; F542-V609 CarbonylContact C-O 3.52Å; F542-V609 VanDerWaalsContact CA-O 3.3Å; F542-V609 WeakPolarHBondContact CA-O 3.2Å; Y543-V609 PolarHBondContact N-O 2.79Å; Y543-V609 PolarHBondContact O-N 3.32Å; L564-V609 HydrophobicContact CD2-CG1 4.13Å; L564-V609 HydrophobicContact CD2-CG2 4Å; W567-V609 HydrophobicContact CD2-CG1 4.5Å; W567-V609 HydrophobicContact CE3-CG1 3.73Å; W567-V609 HydrophobicContact CH2-CB 4.38Å; W567-V609 HydrophobicContact CH2-CG1 4.04Å; W567-V609 HydrophobicContact CZ3-CB 4.24Å; W567-V609 HydrophobicContact CZ3-CG1 3.46Å; W567-V609 VanDerWaalsContact CZ3-CG1 3.46Å; I572-V609 HydrophobicContact CB-CG2 4.34Å; I572-V609 HydrophobicContact CD1-CG2 3.94Å; I572-V609 HydrophobicContact CG1-CG2 3.93Å; Y582-V609 HydrophobicContact CE1-CG1 3.85Å; Y582-V609 WeakPolarHBondContact OH-CG1 3.42Å; V607-V609 HydrophobicContact CG1-CG2 4.28Å; V609-I624 HydrophobicContact CG2-CG2 4.43Å
610	L	98.8	Very high	93.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	104.9	164.4	172.1	58.9	0	0	0	108.1	V381 F411 I512 F542 G570 Q571 W573 L612	V381-L610 HydrophobicContact CG2-CD1 3.63Å; F411-L610 HydrophobicContact CD2-CD2 4.18Å; F411-L610 HydrophobicContact CE1-CD2 4.5Å; F411-L610 HydrophobicContact CE2-CD2 3.76Å; F411-L610 HydrophobicContact CZ-CD2 3.94Å; I512-L610 HydrophobicContact CD1-CD2 4.07Å; F542-L610 HydrophobicContact CD1-CB 4.05Å; F542-L610 HydrophobicContact CD1-CD1 4.23Å; F542-L610 HydrophobicContact CD2-CD1 4.48Å; F542-L610 HydrophobicContact CE1-CB 3.88Å; F542-L610 HydrophobicContact CE1-CD1 3.97Å; F542-L610 HydrophobicContact CE1-CD2 4.16Å; F542-L610 HydrophobicContact CE1-CG 4.22Å; F542-L610 HydrophobicContact CE2-CD1 4.21Å; F542-L610 HydrophobicContact CG-CD1 4.48Å; F542-L610 HydrophobicContact CZ-CD1 3.96Å; F542-L610 HydrophobicContact CZ-CD2 4.24Å; G570-L610 CarbonylContact C-O 3.58Å; G570-L610 WeakPolarHBondContact CA-O 3.35Å; Q571-L610 HydrophobicContact CB-CB 4.41Å; Q571-L610 PolarHBondContact N-O 2.78Å; Q571-L610 PolarHBondContact O-N 3.3Å; W573-L610 HydrophobicContact CH2-CB 4.13Å; W573-L610 HydrophobicContact CH2-CD2 4.43Å; W573-L610 HydrophobicContact CZ3-CB 3.75Å; L610-L612 HydrophobicContact CD1-CD2 4.1Å; L610-L612 HydrophobicContact CD2-CD2 3.98Å; L610-L612 HydrophobicContact CG-CD2 3.75Å; L610-L612 HydrophobicContact CG-CG 4.44Å
611	E	98.6	Very high	93.4	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.009	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	137	172.6	176	56.1	-127.3	0	0	109.8	P540 A541 Y543 W567 K568 K569 Y582 E613 T614 D615	P540-E611 CarbonylContact C-O 3.58Å; P540-E611 VanDerWaalsContact CA-O 3.24Å; P540-E611 WeakPolarHBondContact CA-O 3.41Å; A541-E611 PolarHBondContact N-O 3.36Å; A541-E611 PolarHBondContact O-N 2.97Å; Y543-E611 HydrophobicContact CD2-CB 4.41Å; Y543-E611 HydrophobicContact CE2-CB 4.08Å; W567-E611 HydrophobicContact CE3-CB 3.71Å; W567-E611 HydrophobicContact CE3-CG 3.98Å; W567-E611 HydrophobicContact CZ3-CB 3.71Å; W567-E611 HydrophobicContact CZ3-CG 4.33Å; K568-E611 PolarHBondContact N-OE2 3.06Å; K569-E611 PolarHBondContact N-OE1 2.89Å; K569-E611 VanDerWaalsContact N-OE1 3.15Å; K569-E611 PolarHBondContact N-OE2 3.37Å; K569-E611 VanDerWaalsContact O-OE1 3.1Å; Y582-E611 WeakPolarHBondContact CE2-OE2 3.21Å; Y582-E611 WeakPolarHBondContact OH-CA 3.46Å; Y582-E611 PolarHBondContact OH-OE2 3.46Å; E611-E613 PolarHBondContact OE1-N 3.14Å; E611-T614 PolarHBondContact OE1-N 3.08Å; E611-D615 HydrophobicContact CG-CB 4.12Å
612	L	98.5	Very high	93.3	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	23%	0.231	C	C	.	.	S	Bend	trans	-113.1	-18.9	-169.4	-56.8	167.7	0	0	0	113.2	F411 Y440 L472 P540 K569 L610	F411-L612 HydrophobicContact CD1-CD2 4.35Å; F411-L612 HydrophobicContact CE1-CD1 3.65Å; F411-L612 HydrophobicContact CE1-CD2 3.71Å; F411-L612 HydrophobicContact CE1-CG 4.35Å; F411-L612 HydrophobicContact CZ-CD1 3.96Å; F411-L612 HydrophobicContact CZ-CD2 4.2Å; Y440-L612 HydrophobicContact CD1-CB 4.17Å; Y440-L612 WeakPolarHBondContact CD1-O 3.37Å; Y440-L612 HydrophobicContact CD2-CB 4.35Å; Y440-L612 HydrophobicContact CE1-CB 3.61Å; Y440-L612 WeakPolarHBondContact CE1-O 3.48Å; Y440-L612 HydrophobicContact CE2-CB 3.83Å; Y440-L612 HydrophobicContact CE2-CD1 3.91Å; Y440-L612 HydrophobicContact CE2-CD2 4.14Å; Y440-L612 HydrophobicContact CE2-CG 4.18Å; Y440-L612 VanDerWaalsContact CZ-CB 3.41Å; Y440-L612 VanDerWaalsContact OH-CD1 3.24Å; Y440-L612 WeakPolarHBondContact OH-CD1 3.46Å; L472-L612 HydrophobicContact CD2-CD2 4.15Å; P540-L612 HydrophobicContact CB-CD2 4.23Å; K569-L612 WeakPolarHBondContact O-CB 3.42Å; K569-L612 PolarHBondContact O-N 3.31Å; L610-L612 HydrophobicContact CD1-CD2 4.1Å; L610-L612 HydrophobicContact CD2-CD2 3.98Å; L610-L612 HydrophobicContact CG-CD2 3.75Å; L610-L612 HydrophobicContact CG-CG 4.44Å
613	E	95.9	Very high	93.3	Very high	18 Å²	18	34.4 Å²	34.4	8%	0.084	20%	0.202	C	C	.	.	S	Bend	trans	-123.9	-61.1	-174.5	-66	-174.1	-170.2	0	0	113.4	R438 Y440 L537 S538 K568 K569 E611	R438-E613 IonicContact CZ-OE1 3.82Å; R438-E613 VanDerWaalsContact CZ-OE1 3.24Å; R438-E613 IonicContact NE-OE1 3.77Å; R438-E613 PolarHBondContact NE-OE1 3.45Å; R438-E613 IonicContact NH2-OE1 2.8Å; R438-E613 PolarHBondContact NH2-OE1 2.93Å; Y440-E613 HydrophobicContact CD1-CG 4.23Å; Y440-E613 HydrophobicContact CE1-CG 3.65Å; L537-E613 CarbonylContact C-O 3.5Å; L537-E613 WeakPolarHBondContact CA-O 3.4Å; L537-E613 HydrophobicContact CD1-CB 4.04Å; L537-E613 HydrophobicContact CD1-CG 4.37Å; L537-E613 WeakPolarHBondContact CD1-O 3.24Å; S538-E613 PolarHBondContact N-O 3.47Å; S538-E613 PolarHBondContact OG-O 3.32Å; K568-E613 HydrophobicContact CB-CB 3.91Å; K568-E613 HydrophobicContact CD-CB 4Å; K569-E613 HydrophobicContact CB-CG 4.28Å; E611-E613 PolarHBondContact OE1-N 3.14Å
614	T	92.6	Very high	93.5	Very high	8 Å²	8	32.1 Å²	32.1	5%	0.049	18%	0.183	C	C	.	.			trans	-154.7	133.1	-179.5	-47.9	0	0	0	0	110	T536 K568 E611	T536-T614 PolarHBondContact O-OG1 2.98Å; K568-T614 WeakPolarHBondContact CD-OG1 3.47Å; K568-T614 WeakPolarHBondContact CE-OG1 3.44Å; K568-T614 PolarHBondContact N-O 3.32Å; K568-T614 PolarHBondContact NZ-OG1 3.48Å; E611-T614 PolarHBondContact OE1-N 3.08Å
615	D	90.9	Very high	93.6	Very high	17 Å²	17	32 Å²	32	9%	0.091	18%	0.176	C	C	.	.			trans	-103.3	149.9	178.4	61.5	117.2	0	0	0	112.1	S538 Y543 W567 E611 C617 Y619	S538-D615 WeakPolarHBondContact CB-OD2 3.4Å; S538-D615 PolarHBondContact OG-OD2 3.28Å; Y543-D615 HydrophobicContact CE1-CB 4.23Å; Y543-D615 HydrophobicContact CE2-CB 4.29Å; Y543-D615 WeakPolarHBondContact OH-CB 3.3Å; Y543-D615 PolarHBondContact OH-OD1 3.17Å; Y543-D615 PolarHBondContact OH-OD2 3.07Å; W567-D615 HydrophobicContact CZ3-CB 4.4Å; E611-D615 HydrophobicContact CG-CB 4.12Å; D615-C617 PolarHBondContact O-N 3.35Å; D615-C617 VanDerWaalsContact OD1-CB 3.29Å; D615-C617 WeakPolarHBondContact OD1-CB 3.36Å; D615-Y619 VanDerWaalsContact O-CE1 3.27Å; D615-Y619 WeakPolarHBondContact O-CE1 3.46Å
616	P	90.8	Very high	93.6	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-72.3	-10.5	179.3	28.7	-35.5	0	0	0	114.4	W567 S618 Y619 Q620	W567-P616 HydrophobicContact CD2-CG 4.14Å; W567-P616 HydrophobicContact CG-CG 4.18Å; W567-P616 HydrophobicContact CZ2-CG 4.26Å; P616-S618 PolarHBondContact O-N 3.3Å; P616-Y619 PolarHBondContact O-N 3.04Å; P616-Y619 VanDerWaalsContact O-N 3.12Å; P616-Q620 HydrophobicContact CB-CG 3.39Å; P616-Q620 VanDerWaalsContact CB-NE2 3.3Å; P616-Q620 PolarHBondContact O-N 2.94Å
617	C	87.8	Confident	93.6	Very high	44 Å²	44	29 Å²	29	30%	0.297	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-72.9	-8.5	-155.6	-50.8	0	0	0	0	115	Y543 D615 C622	Y543-C617 HydrophobicContact CE1-CB 4.32Å; Y543-C617 VanDerWaalsContact CE1-SG 3.52Å; D615-C617 PolarHBondContact O-N 3.35Å; D615-C617 VanDerWaalsContact OD1-CB 3.29Å; D615-C617 WeakPolarHBondContact OD1-CB 3.36Å; C617-C622 HydrophobicContact CB-CB 3.43Å; C617-C622 VanDerWaalsContact CB-CB 3.43Å; C617-C622 WeakPolarHBondContact CB-SG 3.33Å; C617-C622 WeakPolarHBondContact SG-CB 3.32Å; C617-C622 CovalentContact SG-SG 2.02Å; C617-C622 PolarHBondContact SG-SG 3.28Å
618	S	78.9	Confident	93.6	Very high	87 Å²	87	33 Å²	33	61%	0.608	18%	0.182	S	C	*	.	G	3₁₀ helix	trans	-97.9	-17	175.7	57.1	0	0	0	0	114.3	P616	P616-S618 PolarHBondContact O-N 3.3Å
619	Y	79.8	Confident	93.5	Very high	110 Å²	110	36 Å²	36	43%	0.431	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.4	-10.9	-172.5	60	-92.7	0	0	0	115.2	P534 G566 D615 P616	P534-Y619 HydrophobicContact CB-CD1 4.24Å; G566-Y619 PolarHBondContact O-OH 3.49Å; D615-Y619 VanDerWaalsContact O-CE1 3.27Å; D615-Y619 WeakPolarHBondContact O-CE1 3.46Å; P616-Y619 PolarHBondContact O-N 3.04Å; P616-Y619 VanDerWaalsContact O-N 3.12Å
620	Q	84.5	Confident	93.5	Very high	80 Å²	80	38.6 Å²	38.6	37%	0.374	22%	0.218	S	C	.	.	S	Bend	trans	-148.1	174.1	172.1	69.9	-173.1	-35.8	0	0	109.8	G566 P616 C622	G566-Q620 VanDerWaalsContact CA-NE2 3.31Å; P616-Q620 HydrophobicContact CB-CG 3.39Å; P616-Q620 VanDerWaalsContact CB-NE2 3.3Å; P616-Q620 PolarHBondContact O-N 2.94Å; Q620-C622 PolarHBondContact O-N 3.18Å; Q620-C622 VanDerWaalsContact O-N 3.17Å
621	P	87.6	Confident	93.5	Very high	97 Å²	97	40.9 Å²	40.9	63%	0.63	23%	0.23	S	C	*	.			trans	-53.4	125.2	175.9	-27.2	36.6	0	0	0	111.3	T623	P621-T623 HydrophobicContact CB-CG2 3.9Å; P621-T623 PolarHBondContact O-N 3.39Å
622	C	94.3	Very high	93.4	Very high	20 Å²	20	41.6 Å²	41.6	14%	0.135	23%	0.233	C	C	.	.			trans	-73.4	80.4	175.2	-167.9	0	0	0	0	108.1	M375 C617 Q620	M375-C622 PolarHBondContact N-O 2.93Å; M375-C622 PolarHBondContact O-SG 3.09Å; C617-C622 HydrophobicContact CB-CB 3.43Å; C617-C622 VanDerWaalsContact CB-CB 3.43Å; C617-C622 WeakPolarHBondContact CB-SG 3.33Å; C617-C622 WeakPolarHBondContact SG-CB 3.32Å; C617-C622 CovalentContact SG-SG 2.02Å; C617-C622 PolarHBondContact SG-SG 3.28Å; Q620-C622 PolarHBondContact O-N 3.18Å; Q620-C622 VanDerWaalsContact O-N 3.17Å
623	T	97.2	Very high	93.2	Very high	25 Å²	25	47.2 Å²	47.2	15%	0.153	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	156	-173.9	59.4	0	0	0	0	112	V373 W567 P621	V373-T623 CarbonylContact O-C 3.53Å; V373-T623 WeakPolarHBondContact O-CA 3.22Å; V373-T623 WeakPolarHBondContact O-CB 3.45Å; W567-T623 PolarHBondContact NE1-O 2.71Å; P621-T623 HydrophobicContact CB-CG2 3.9Å; P621-T623 PolarHBondContact O-N 3.39Å
624	I	98.2	Very high	92.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	167.6	157.1	62.6	156.8	0	0	0	108.7	S372 V373 M375 V562 L564 W567 I572 V607 V609 F626	S372-I624 CarbonylContact C-O 3.57Å; S372-I624 VanDerWaalsContact CA-O 3.28Å; S372-I624 WeakPolarHBondContact CA-O 3.25Å; V373-I624 HydrophobicContact CB-CD1 4.43Å; V373-I624 HydrophobicContact CB-CG1 3.91Å; V373-I624 PolarHBondContact N-O 3.47Å; V373-I624 PolarHBondContact O-N 3.27Å; M375-I624 HydrophobicContact CG-CG1 4.4Å; M375-I624 HydrophobicContact CG-CG2 4.05Å; M375-I624 HydrophobicContact SD-CD1 4.36Å; M375-I624 HydrophobicContact SD-CG1 3.91Å; M375-I624 HydrophobicContact SD-CG2 4.32Å; V562-I624 HydrophobicContact CG2-CB 4.38Å; V562-I624 HydrophobicContact CG2-CD1 3.68Å; L564-I624 HydrophobicContact CB-CG2 4.45Å; L564-I624 HydrophobicContact CD2-CG2 3.86Å; L564-I624 HydrophobicContact CG-CG2 3.81Å; W567-I624 HydrophobicContact CZ2-CG2 4.38Å; I572-I624 HydrophobicContact CD1-CD1 4.4Å; V607-I624 HydrophobicContact CB-CD1 4.33Å; V607-I624 HydrophobicContact CG1-CD1 3.58Å; V607-I624 HydrophobicContact CG2-CD1 4.2Å; V609-I624 HydrophobicContact CG2-CG2 4.43Å; I624-F626 HydrophobicContact CD1-CE2 3.81Å; I624-F626 HydrophobicContact CD1-CZ 4.01Å
625	E	98.4	Very high	91.7	Very high	66 Å²	66	50 Å²	50	31%	0.308	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	129.3	-177.4	-174.4	-177.4	-165.1	0	0	111.1	K563 T627	K563-E625 PolarHBondContact N-O 3.21Å; K563-E625 PolarHBondContact O-N 3.04Å; E625-T627 HydrophobicContact CG-CG2 3.97Å
626	F	98.8	Very high	90.2	Very high	1 Å²	1	53.2 Å²	53.2	0%	0.004	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	118.1	169.6	-70.1	-80.9	0	0	0	110.5	A369 Y370 G371 V373 F547 T560 Y561 V562 I574 V594 V607 I624	A369-F626 CarbonylContact C-O 3.56Å; A369-F626 WeakPolarHBondContact CA-O 3.5Å; Y370-F626 HydrophobicContact CD2-CB 4.18Å; Y370-F626 HydrophobicContact CD2-CG 4.41Å; Y370-F626 HydrophobicContact CG-CB 4.49Å; Y370-F626 PolarHBondContact N-O 2.79Å; G371-F626 PolarHBondContact N-O 3.37Å; G371-F626 VanDerWaalsContact N-O 3.14Å; G371-F626 PolarHBondContact O-N 3.1Å; V373-F626 HydrophobicContact CG2-CD2 3.88Å; V373-F626 HydrophobicContact CG2-CE2 3.68Å; F547-F626 AromaticContact CD1-CE2 3.89Å; F547-F626 HydrophobicContact CD1-CE2 3.89Å; F547-F626 HydrophobicContact CD1-CZ 4.33Å; F547-F626 HydrophobicContact CE1-CD2 4.46Å; F547-F626 HydrophobicContact CE1-CE1 4.48Å; F547-F626 AromaticContact CE1-CE2 3.56Å; F547-F626 HydrophobicContact CE1-CE2 3.56Å; F547-F626 AromaticContact CE1-CZ 3.57Å; F547-F626 HydrophobicContact CE1-CZ 3.57Å; F547-F626 HydrophobicContact CZ-CE1 4.41Å; F547-F626 AromaticContact CZ-CE2 3.99Å; F547-F626 HydrophobicContact CZ-CE2 3.99Å; F547-F626 AromaticContact CZ-CZ 3.9Å; F547-F626 HydrophobicContact CZ-CZ 3.9Å; T560-F626 HydrophobicContact CG2-CD1 3.53Å; T560-F626 HydrophobicContact CG2-CE1 4.1Å; T560-F626 HydrophobicContact CG2-CG 4.44Å; Y561-F626 CarbonylContact O-C 3.56Å; Y561-F626 VanDerWaalsContact O-CA 3.3Å; Y561-F626 WeakPolarHBondContact O-CA 3.15Å; V562-F626 HydrophobicContact CB-CD1 4.03Å; V562-F626 HydrophobicContact CB-CE1 3.83Å; V562-F626 HydrophobicContact CG2-CD1 4.42Å; V562-F626 HydrophobicContact CG2-CE1 4.11Å; V562-F626 HydrophobicContact CG2-CZ 4.33Å; I574-F626 HydrophobicContact CD1-CE1 3.59Å; I574-F626 HydrophobicContact CD1-CZ 3.65Å; V594-F626 HydrophobicContact CG2-CE1 4.23Å; V607-F626 HydrophobicContact CG2-CE2 4.33Å; V607-F626 HydrophobicContact CG2-CZ 4.08Å; I624-F626 HydrophobicContact CD1-CE2 3.81Å; I624-F626 HydrophobicContact CD1-CZ 4.01Å
627	T	98.5	Very high	88.2	Confident	17 Å²	17	61.2 Å²	61.2	10%	0.104	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	166.5	-179.2	65.3	0	0	0	0	111.1	T560 Y561 E625 T629	T560-T627 PolarHBondContact OG1-O 3.08Å; Y561-T627 PolarHBondContact N-O 3.34Å; Y561-T627 PolarHBondContact O-N 3.47Å; Y561-T627 PolarHBondContact O-OG1 3.12Å; E625-T627 HydrophobicContact CG-CG2 3.97Å; T627-T629 PolarHBondContact OG1-O 2.95Å; T627-T629 VanDerWaalsContact OG1-O 3.1Å
628	N	97.9	Very high	85.9	Confident	83 Å²	83	63.9 Å²	63.9	44%	0.444	37%	0.366	S	S	.	.	S	Bend	trans	-99.7	-0.9	177.8	63.8	-12.8	0	0	0	113.6	K367 A369	K367-N628 HydrophobicContact CB-CB 3.86Å; K367-N628 WeakPolarHBondContact CB-O 3.33Å; K367-N628 WeakPolarHBondContact O-CB 3.1Å; A369-N628 HydrophobicContact CB-CB 4.25Å
629	T	97.1	Very high	83.8	Confident	79 Å²	79	68.4 Å²	68.4	49%	0.485	38%	0.378	S	S	.	.	S	Bend	trans	-126.9	142.8	179.3	53.6	0	0	0	0	111.6	T627	T627-T629 PolarHBondContact OG1-O 2.95Å; T627-T629 VanDerWaalsContact OG1-O 3.1Å
630	P	98.1	Very high	81.9	Confident	56 Å²	56	68.9 Å²	68.9	36%	0.364	39%	0.394	S	S	.	.			trans	-77.2	149.9	172.5	31	-32.1	0	0	0	111.4	Y561 T591 L632	Y561-P630 HydrophobicContact CD1-CB 3.96Å; Y561-P630 HydrophobicContact CE1-CB 3.65Å; Y561-P630 HydrophobicContact CE1-CG 4.27Å; Y561-P630 HydrophobicContact CE2-CB 4.34Å; Y561-P630 HydrophobicContact CE2-CG 4.34Å; Y561-P630 HydrophobicContact CG-CB 4.43Å; T591-P630 WeakPolarHBondContact OG1-CA 3.44Å; P630-L632 HydrophobicContact CB-CG 4.28Å
631	I	98.2	Very high	79.6	Confident	48 Å²	48	74.6 Å²	74.6	25%	0.246	42%	0.418	C	S	.	.			trans	-125.3	97.5	169.3	-54	173.6	0	0	0	107.4	K563 V590 T591 A634	K563-I631 HydrophobicContact CD-CD1 4.36Å; V590-I631 HydrophobicContact CB-CB 4.11Å; V590-I631 HydrophobicContact CB-CG2 3.96Å; V590-I631 HydrophobicContact CG1-CB 4.47Å; V590-I631 HydrophobicContact CG1-CG2 4.47Å; V590-I631 HydrophobicContact CG2-CG2 4.43Å; V590-I631 PolarHBondContact N-O 3.06Å; T591-I631 HydrophobicContact CG2-CB 4.03Å; T591-I631 HydrophobicContact CG2-CD1 4.27Å; T591-I631 HydrophobicContact CG2-CG1 4.03Å; T591-I631 PolarHBondContact N-O 3.48Å; T591-I631 PolarHBondContact OG1-N 3.41Å; I631-A634 HydrophobicContact CG2-CB 3.7Å
632	L	97	Very high	76.9	Confident	16 Å²	16	78.1 Å²	78.1	8%	0.084	43%	0.43	C	S	.	.			trans	-109	-5.6	-177.6	-57.9	-177.1	0	0	0	113.8	H277 D328 P588 Q589 P630	H277-L632 WeakPolarHBondContact CB-O 3.49Å; D328-L632 HydrophobicContact CB-CD1 3.54Å; P588-L632 CarbonylContact C-O 3.57Å; P588-L632 VanDerWaalsContact CB-O 3.22Å; P588-L632 WeakPolarHBondContact CB-O 3.27Å; P588-L632 CarbonylContact O-C 3.56Å; P588-L632 VanDerWaalsContact O-O 3.11Å; Q589-L632 HydrophobicContact CB-CD2 4.32Å; Q589-L632 HydrophobicContact CG-CD2 3.91Å; P630-L632 HydrophobicContact CB-CG 4.28Å
633	N	94.2	Very high	74	Confident	119 Å²	119	86.2 Å²	86.2	64%	0.636	47%	0.466	S	S	*	.			trans	-118.3	15.7	-170.7	66.6	-6.5	0	0	0	114.1	H277 P588 T635	H277-N633 HydrophobicContact CB-CB 4.19Å; P588-N633 PolarHBondContact O-N 3.34Å; N633-T635 PolarHBondContact O-N 2.96Å; N633-T635 VanDerWaalsContact O-N 3.1Å
634	A	85.9	Confident	70.9	Confident	33 Å²	33	96.4 Å²	96.4	27%	0.273	50%	0.502	S	S	.	.			trans	-86.1	79.1	-178.5	0	0	0	0	0	110	G587 P588 V590 I631 V636	G587-A634 WeakPolarHBondContact CA-O 3.36Å; P588-A634 PolarHBondContact O-N 2.97Å; V590-A634 HydrophobicContact CB-CB 4.39Å; V590-A634 HydrophobicContact CG2-CB 3.49Å; V590-A634 VanDerWaalsContact CG2-CB 3.49Å; I631-A634 HydrophobicContact CG2-CB 3.7Å; A634-V636 PolarHBondContact O-N 3.11Å
635	T	72.1	Confident	68.2	Low	52 Å²	52	105.2 Å²	105.2	32%	0.319	54%	0.535	S	S	.	.			trans	-78.3	114.8	169.5	-47	0	0	0	0	109	S275 N633 L637	S275-T635 PolarHBondContact O-OG1 2.86Å; N633-T635 PolarHBondContact O-N 2.96Å; N633-T635 VanDerWaalsContact O-N 3.1Å; T635-L637 PolarHBondContact O-N 2.91Å
636	V	59.9	Low	65.1	Low	85 Å²	85	109.4 Å²	109.4	52%	0.515	56%	0.559	S	S	.	*			trans	-73.2	121.7	168.2	-175.5	0	0	0	0	107	P584 A634 S638	P584-V636 WeakPolarHBondContact O-CG2 3.48Å; A634-V636 PolarHBondContact O-N 3.11Å; V636-S638 PolarHBondContact O-N 3.3Å
637	L	48.5	Very low	62.4	Low	168 Å²	168	116.9 Å²	116.9	88%	0.88	59%	0.591	S	S	*	*			trans	-43.8	108.6	-179.5	-71.8	161.8	0	0	0	111	T635 Q639	T635-L637 PolarHBondContact O-N 2.91Å; L637-Q639 PolarHBondContact O-N 3.21Å
638	S	38.6	Very low	60.5	Low	99 Å²	99	118.4 Å²	118.4	69%	0.692	60%	0.601	S	S	*	*			trans	-58.8	132.5	160.6	61.1	0	0	0	0	107.5	V636	V636-S638 PolarHBondContact O-N 3.3Å
639	Q	34.4	Very low	57.3	Low	182 Å²	182	123.5 Å²	123.5	85%	0.85	62%	0.619	S	S	*	*			trans	-43.2	130.8	173.1	-71	-174.5	-8.2	0	0	110.7	L637 K641	L637-Q639 PolarHBondContact O-N 3.21Å; Q639-K641 PolarHBondContact O-N 3.15Å; Q639-K641 VanDerWaalsContact O-N 3.15Å
640	P	40.6	Very low	54.6	Low	121 Å²	121	126.5 Å²	126.5	79%	0.786	63%	0.627	S	S	*	*			trans	-71.8	112.8	174.9	28.1	-29	0	0	0	107.7
641	K	36.1	Very low	51.9	Low	199 Å²	199	127.6 Å²	127.6	87%	0.865	63%	0.63	S	S	*	*			trans	-167	86.6	155.4	-106.1	166.8	-160.2	-170.2	0	112.2	Q639	Q639-K641 PolarHBondContact O-N 3.15Å; Q639-K641 VanDerWaalsContact O-N 3.15Å
642	L	31	Very low	49.3	Very low	171 Å²	171	132.9 Å²	132.9	90%	0.895	65%	0.652	S	S	*	*	S	Bend		-149.1	118.1	123.3	-113.7	126.4	0	0	0	105.9	R644	L642-R644 PolarHBondContact O-N 3.2Å
643	H	33.9	Very low	46.2	Very low	190 Å²	190	142.2 Å²	142.2	88%	0.88	70%	0.7	S	S	*	*			trans	-55.8	103.8	174.7	-84.1	-59.6	0	0	0	108.7	R645	H643-R645 VanDerWaalsContact C-N 3.32Å; H643-R645 PolarHBondContact O-N 3.32Å
644	R	31.4	Very low	43.8	Very low	240 Å²	240	143.4 Å²	143.4	91%	0.906	70%	0.704	S	S	*	*			trans	-61.2	103.4	152.7	-104	-177.1	175.9	-179.9	-0.9	105.6	L642 L646	L642-R644 PolarHBondContact O-N 3.2Å; R644-L646 PolarHBondContact O-N 3.21Å
645	R	41	Very low	41.6	Very low	184 Å²	184	149.2 Å²	149.2	69%	0.694	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-58.9	123.2	159.1	-179.3	179.3	170.7	-163.7	-6.8	106.1	H643	H643-R645 VanDerWaalsContact C-N 3.32Å; H643-R645 PolarHBondContact O-N 3.32Å
646	L	34.2	Very low	39.9	Very low	154 Å²	154	154.6 Å²	154.6	81%	0.806	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-66.5	130.8	169.8	-71.9	162.4	0	0	0	107.6	R644 T648	R644-L646 PolarHBondContact O-N 3.21Å; L646-T648 PolarHBondContact O-N 2.92Å
647	F	42.6	Very low	38.7	Very low	159 Å²	159	158.6 Å²	158.6	70%	0.697	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-54.8	134.7	173.4	-66.4	-78.4	0	0	0	109.9	D651 F652	F647-D651 WeakPolarHBondContact CA-OD2 3.49Å; F647-D651 HydrophobicContact CB-CB 4.49Å; F647-D651 HydrophobicContact CD1-CB 4.11Å; F647-F652 HydrophobicContact CB-CE2 3.71Å; F647-F652 HydrophobicContact CB-CZ 4.32Å; F647-F652 HydrophobicContact CG-CE2 4.21Å; F647-F652 HydrophobicContact CG-CZ 4.33Å
648	T	57.2	Low	38.1	Very low	49 Å²	49	158.1 Å²	158.1	30%	0.301	76%	0.755	S	S	.	*	P	Polyproline II helix	trans	-91.9	163.6	170.7	64.3	0	0	0	0	109.7	L646 E650 D651	L646-T648 PolarHBondContact O-N 2.92Å; T648-E650 WeakPolarHBondContact CB-OE2 3.41Å; T648-E650 PolarHBondContact O-N 3.46Å; T648-E650 VanDerWaalsContact O-N 3.09Å; T648-E650 PolarHBondContact OG1-OE2 3.38Å; T648-D651 PolarHBondContact N-OD2 3.09Å; T648-D651 WeakPolarHBondContact O-CB 3.36Å; T648-D651 PolarHBondContact O-N 2.97Å
649	K	30.8	Very low	38.1	Very low	189 Å²	189	162 Å²	162	82%	0.822	76%	0.76	S	S	*	*	G	3₁₀ helix	trans	-61.8	-16.9	-179.6	-153.1	178.8	-177.9	-176.1	0	112.7
650	E	41.2	Very low	38.4	Very low	142 Å²	142	160.6 Å²	160.6	66%	0.664	75%	0.753	S	S	*	*	G	3₁₀ helix	trans	-77.1	-17.9	173.5	-61.8	118.6	175.7	0	0	113.6	T648 F652	T648-E650 WeakPolarHBondContact CB-OE2 3.41Å; T648-E650 PolarHBondContact O-N 3.46Å; T648-E650 VanDerWaalsContact O-N 3.09Å; T648-E650 PolarHBondContact OG1-OE2 3.38Å; E650-F652 PolarHBondContact O-N 2.81Å
651	D	41.8	Very low	38.2	Very low	79 Å²	79	163.6 Å²	163.6	42%	0.422	75%	0.751	S	S	.	*	G	3₁₀ helix	trans	-78	-6.1	176.4	-60.9	-42	0	0	0	112.4	F647 T648	F647-D651 WeakPolarHBondContact CA-OD2 3.49Å; F647-D651 HydrophobicContact CB-CB 4.49Å; F647-D651 HydrophobicContact CD1-CB 4.11Å; T648-D651 PolarHBondContact N-OD2 3.09Å; T648-D651 WeakPolarHBondContact O-CB 3.36Å; T648-D651 PolarHBondContact O-N 2.97Å
652	F	42.4	Very low	38.4	Very low	160 Å²	160	160.7 Å²	160.7	70%	0.702	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-122.7	20.8	-179.1	-64.4	-75.1	0	0	0	113.1	F647 E650	F647-F652 HydrophobicContact CB-CE2 3.71Å; F647-F652 HydrophobicContact CB-CZ 4.32Å; F647-F652 HydrophobicContact CG-CE2 4.21Å; F647-F652 HydrophobicContact CG-CZ 4.33Å; E650-F652 PolarHBondContact O-N 2.81Å
653	L	33.3	Very low	39.1	Very low	211 Å²	211	159.7 Å²	159.7	100%	1.105	73%	0.727	S	S	*	*			trans	-96.6	0	167.8	-81.8	171.8	0	0	0	111.2

Retrieved 653 of 653 residues in 130.2 ms (Link to these results)

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