A0A087YG86_POEFO Loading...

Protein arginine N-methyltransferase 5

Arginine methyltransferase that can both catalyze the formation of omega-N monomethylarginine (MMA) and symmetrical dimethylarginine (sDMA).

AlphaFold DB , UniProt , Accession A0A087YG86, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 643 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.7	Very low	29.8	Very low	243 Å²	243	160.4 Å²	160.4	100%	1.197	85%	0.853	S	S	*	*				0	107.7	0	-113.5	-178.9	-84.4	0	0	107
2	V	34.9	Very low	30	Very low	138 Å²	138	155.3 Å²	155.3	84%	0.836	85%	0.851	S	S	*	*			trans	-97.7	138.2	-178.7	174.6	0	0	0	0	108.4
3	P	28.7	Very low	29.8	Very low	114 Å²	114	150.8 Å²	150.8	74%	0.74	84%	0.838	S	S	*	*			trans	-135.1	167	130.5	18.8	3.4	0	0	0	113.2
4	P	32.8	Very low	30.2	Very low	114 Å²	114	150.1 Å²	150.1	74%	0.74	84%	0.839	S	S	*	*			trans	-104.6	135.8	-140.6	36.7	-30.1	0	0	0	114.1
5	F	28.7	Very low	30	Very low	209 Å²	209	145.7 Å²	145.7	92%	0.917	82%	0.822	S	S	*	*			trans	-101.4	98.5	158.4	-83.8	-87.1	0	0	0	108.1	R7	F5-R7 PolarHBondContact O-N 3.31Å
6	S	26.9	Very low	30.3	Very low	111 Å²	111	146.1 Å²	146.1	78%	0.776	83%	0.829	S	S	*	*			trans	-79	102.5	166.4	55.5	0	0	0	0	108.6	I8	S6-I8 PolarHBondContact O-N 2.7Å
7	R	28.6	Very low	31.2	Very low	221 Å²	221	140 Å²	140	83%	0.834	81%	0.806	S	S	*	*			trans	-60.2	125.5	167.5	-73.7	176.9	173.8	-177.3	-2.8	109	F5 E9	F5-R7 PolarHBondContact O-N 3.31Å; R7-E9 PolarHBondContact O-N 2.87Å; R7-E9 VanDerWaalsContact O-N 3.15Å
8	I	28.5	Very low	32.9	Very low	171 Å²	171	137 Å²	137	88%	0.877	80%	0.795	S	S	*	*			trans	-74.6	96.8	161.4	-63.9	172.2	0	0	0	105.5	S6 A10	S6-I8 PolarHBondContact O-N 2.7Å; I8-A10 PolarHBondContact O-N 3.16Å
9	E	26.7	Very low	35.4	Very low	164 Å²	164	137.1 Å²	137.1	77%	0.766	78%	0.78	S	S	*	*			trans	-69.2	123.4	168.1	-79.6	179.9	161.7	0	0	108.8	R7 M11	R7-E9 PolarHBondContact O-N 2.87Å; R7-E9 VanDerWaalsContact O-N 3.15Å; E9-M11 PolarHBondContact O-N 2.97Å; E9-M11 VanDerWaalsContact O-N 3.07Å
10	A	30.8	Very low	38	Very low	98 Å²	98	131.2 Å²	131.2	81%	0.81	75%	0.747	S	S	*	*			trans	-63.2	106.6	171.3	0	0	0	0	0	108.9	I8 A12	I8-A10 PolarHBondContact O-N 3.16Å; A10-A12 VanDerWaalsContact C-N 3.34Å; A10-A12 PolarHBondContact O-N 3.2Å
11	M	27.8	Very low	40.8	Very low	181 Å²	181	126.8 Å²	126.8	89%	0.892	72%	0.724	S	S	*	*			trans	-71.3	91.9	165.8	-81.6	-174.5	152.6	0	0	109	E9 S13	E9-M11 PolarHBondContact O-N 2.97Å; E9-M11 VanDerWaalsContact O-N 3.07Å; M11-S13 PolarHBondContact O-N 3.21Å; M11-S13 VanDerWaalsContact O-N 3.09Å
12	A	32.4	Very low	43.8	Very low	100 Å²	100	115.2 Å²	115.2	83%	0.826	67%	0.668	S	S	*	*			trans	-74.1	80.9	154.7	0	0	0	0	0	108.1	A10	A10-A12 VanDerWaalsContact C-N 3.34Å; A10-A12 PolarHBondContact O-N 3.2Å
13	S	27.5	Very low	46.8	Very low	97 Å²	97	108.7 Å²	108.7	68%	0.678	63%	0.628	S	S	*	*			trans	-84.1	116.8	163.7	64.1	0	0	0	0	108.6	M11 S15	M11-S13 PolarHBondContact O-N 3.21Å; M11-S13 VanDerWaalsContact O-N 3.09Å; S13-S15 PolarHBondContact O-N 3.46Å
14	V	34.3	Very low	50.2	Low	141 Å²	141	104.1 Å²	104.1	86%	0.855	60%	0.596	S	S	*	*			trans	-61.3	99.3	171.2	178.4	0	0	0	0	108.8	T16	V14-T16 HydrophobicContact CG1-CG2 4.48Å
15	S	28.3	Very low	53.3	Low	83 Å²	83	98.9 Å²	98.9	58%	0.58	56%	0.561	S	S	*	*			trans	-109.7	117.3	160.5	68.9	0	0	0	0	108.3	S13 G17	S13-S15 PolarHBondContact O-N 3.46Å; S15-G17 PolarHBondContact O-N 3.25Å
16	T	34.2	Very low	56.6	Low	152 Å²	152	90.6 Å²	90.6	93%	0.933	53%	0.527	S	S	*	.	S	Bend	trans	-73	23.7	-179.3	42.9	0	0	0	0	114.2	V14	V14-T16 HydrophobicContact CG1-CG2 4.48Å
17	G	45.5	Very low	60	Low	43 Å²	43	88.6 Å²	88.6	44%	0.443	51%	0.507	S	S	.	.	S	Bend	trans	-117.1	128.3	167.2	0	0	0	0	0	109.6	S15 R19	S15-G17 PolarHBondContact O-N 3.25Å; G17-R19 PolarHBondContact O-N 2.55Å
18	S	61.8	Low	63.3	Low	86 Å²	86	82.6 Å²	82.6	60%	0.601	50%	0.498	S	S	*	.			trans	-54.5	110.2	173.2	173	0	0	0	0	109.3	V20 N294	S18-V20 PolarHBondContact O-N 3.49Å; S18-N294 PolarHBondContact O-ND2 2.94Å
19	R	81.4	Confident	66.6	Low	139 Å²	139	75 Å²	75	53%	0.525	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-65.9	127.6	176.4	179.4	177.5	172	-147.2	-11.5	108.5	G17 S21 G43 D45	G17-R19 PolarHBondContact O-N 2.55Å; R19-S21 PolarHBondContact O-N 2.88Å; R19-G43 PolarHBondContact NH2-O 3.28Å; R19-D45 IonicContact CZ-OD1 3.22Å; R19-D45 IonicContact NE-OD1 2.7Å; R19-D45 IonicContact NH1-OD1 3.64Å; R19-D45 PolarHBondContact NH1-OD1 3.01Å; R19-D45 IonicContact NH2-OD1 3.22Å; R19-D45 PolarHBondContact NH2-OD1 2.81Å; R19-D45 IonicContact NH2-OD2 3.66Å
20	V	86.6	Confident	69.9	Low	18 Å²	18	71.8 Å²	71.8	11%	0.109	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-71	125.4	177.3	-177.2	0	0	0	0	109	S18 C22 F264 F270 L290 N294	S18-V20 PolarHBondContact O-N 3.49Å; V20-C22 PolarHBondContact O-N 3.1Å; V20-C22 PolarHBondContact O-SG 2.97Å; V20-F264 HydrophobicContact CG1-CE1 4.11Å; V20-F264 HydrophobicContact CG2-CD1 4.21Å; V20-F264 HydrophobicContact CG2-CE1 3.79Å; V20-F264 HydrophobicContact CG2-CZ 4.4Å; V20-F270 HydrophobicContact CG1-CD2 3.33Å; V20-F270 HydrophobicContact CG1-CE2 3.73Å; V20-F270 HydrophobicContact CG1-CG 4.36Å; V20-L290 HydrophobicContact CG1-CD2 4.06Å; V20-N294 HydrophobicContact CG2-CB 3.62Å; V20-N294 WeakPolarHBondContact CG2-ND2 3.24Å
21	S	95.6	Very high	73.1	Confident	39 Å²	39	72.7 Å²	72.7	27%	0.273	44%	0.44	S	S	.	.	P	Polyproline II helix	trans	-71	122.2	177.2	179.6	0	0	0	0	110.6	R19 D45 Q269 F270	R19-S21 PolarHBondContact O-N 2.88Å; S21-D45 VanDerWaalsContact CA-OD2 3.28Å; S21-D45 WeakPolarHBondContact CA-OD2 3.41Å; S21-Q269 WeakPolarHBondContact O-CA 3.3Å; S21-Q269 PolarHBondContact OG-NE2 3.34Å; S21-F270 PolarHBondContact O-N 2.8Å
22	C	97.9	Very high	76.5	Confident	1 Å²	1	64.2 Å²	64.2	1%	0.007	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	135.1	-172.2	-62.6	0	0	0	0	112.6	V20 F44 D45 F270 F272 L287	V20-C22 PolarHBondContact O-N 3.1Å; V20-C22 PolarHBondContact O-SG 2.97Å; C22-F44 HydrophobicContact CB-CD1 4.1Å; C22-F44 CarbonylContact O-C 3.54Å; C22-D45 PolarHBondContact N-OD2 3.07Å; C22-D45 PolarHBondContact O-N 2.71Å; C22-F270 CarbonylContact C-O 3.58Å; C22-F270 WeakPolarHBondContact CA-O 3.4Å; C22-F272 HydrophobicContact CB-CE2 4.31Å; C22-L287 HydrophobicContact CB-CD1 3.64Å; C22-L287 WeakPolarHBondContact SG-CD1 3.27Å
23	G	98.3	Very high	79.5	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	158.5	176.4	0	0	0	0	0	113.7	F46 F270 I271 F272	G23-F46 CarbonylContact C-O 3.57Å; G23-F46 WeakPolarHBondContact CA-O 3.24Å; G23-F270 PolarHBondContact N-O 2.67Å; G23-I271 WeakPolarHBondContact O-CA 3.41Å; G23-F272 PolarHBondContact O-N 3.02Å
24	R	98.6	Very high	82.9	Confident	19 Å²	19	62.6 Å²	62.6	7%	0.072	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	126.5	172.4	-174.5	68.1	-175.9	91.8	7.8	110.7	L26 V39 F44 F46 L47 C48 F272 G274 F283	R24-L26 HydrophobicContact CG-CD1 4.5Å; R24-L26 HydrophobicContact CG-CD2 4.16Å; R24-L26 HydrophobicContact CG-CG 4.05Å; R24-L26 VanDerWaalsContact NH2-CD2 3.33Å; R24-V39 HydrophobicContact CB-CG1 3.7Å; R24-V39 HydrophobicContact CB-CG2 4.14Å; R24-V39 HydrophobicContact CG-CG1 4.49Å; R24-V39 HydrophobicContact CG-CG2 4.08Å; R24-F44 HydrophobicContact CB-CB 4.45Å; R24-F44 HydrophobicContact CB-CD1 4.3Å; R24-F44 HydrophobicContact CB-CD2 3.99Å; R24-F44 HydrophobicContact CB-CE2 4.4Å; R24-F44 HydrophobicContact CB-CG 3.97Å; R24-F46 PolarHBondContact N-O 2.96Å; R24-L47 CarbonylContact O-C 3.58Å; R24-L47 WeakPolarHBondContact O-CA 3.28Å; R24-L47 WeakPolarHBondContact O-CD1 3.3Å; R24-C48 PolarHBondContact O-N 3.1Å; R24-F272 PolarHBondContact NH1-O 3.16Å; R24-G274 PolarHBondContact NH2-O 3.13Å; R24-F283 VanDerWaalsContact CD-CE1 3.49Å
25	D	98.6	Very high	85.9	Confident	3 Å²	3	57 Å²	57	2%	0.016	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	116.5	175.4	177.3	36.5	0	0	0	112.6	C48 K91 R160 I271 F272 T273	D25-C48 HydrophobicContact CB-CB 4.2Å; D25-K91 VanDerWaalsContact OD1-CD 3.31Å; D25-K91 WeakPolarHBondContact OD1-CD 3.42Å; D25-K91 VanDerWaalsContact OD1-CE 3.27Å; D25-K91 WeakPolarHBondContact OD1-CE 3.37Å; D25-K91 IonicContact OD1-NZ 2.95Å; D25-K91 PolarHBondContact OD1-NZ 3.04Å; D25-K91 IonicContact OD2-NZ 2.72Å; D25-R160 IonicContact OD2-NH1 3.27Å; D25-R160 PolarHBondContact OD2-NH1 2.82Å; D25-I271 HydrophobicContact CB-CG2 3.61Å; D25-F272 PolarHBondContact N-O 3.39Å; D25-T273 WeakPolarHBondContact OD2-CB 3.32Å; D25-T273 PolarHBondContact OD2-OG1 3.17Å
26	L	98.4	Very high	89.2	Confident	36 Å²	36	53.8 Å²	53.8	19%	0.188	32%	0.318	C	S	.	.			trans	-123.9	140.3	179.4	-61.8	179.8	0	0	0	111	R24 V29 T35 V39 L47 C48 P50	R24-L26 HydrophobicContact CG-CD1 4.5Å; R24-L26 HydrophobicContact CG-CD2 4.16Å; R24-L26 HydrophobicContact CG-CG 4.05Å; R24-L26 VanDerWaalsContact NH2-CD2 3.33Å; L26-V29 HydrophobicContact CB-CG2 4.13Å; L26-T35 HydrophobicContact CD1-CG2 3.5Å; L26-V39 HydrophobicContact CD1-CG2 4.27Å; L26-L47 HydrophobicContact CB-CD1 4.19Å; L26-L47 HydrophobicContact CD1-CD1 3.82Å; L26-L47 HydrophobicContact CG-CD1 3.95Å; L26-C48 PolarHBondContact N-O 3.01Å; L26-P50 VanDerWaalsContact O-CD 3.27Å; L26-P50 WeakPolarHBondContact O-CD 3.49Å
27	N	97.3	Very high	92.2	Very high	69 Å²	69	49.5 Å²	49.5	37%	0.369	30%	0.298	S	S	.	.	S	Bend	trans	-101.8	-5.5	169.1	-76.3	-39.2	0	0	0	112.9	P54 K91 Q94	N27-P54 WeakPolarHBondContact O-CG 3.39Å; N27-K91 PolarHBondContact OD1-NZ 2.91Å; N27-Q94 PolarHBondContact ND2-NE2 3.29Å
28	C	97.9	Very high	94.7	Very high	94 Å²	94	49.9 Å²	49.9	64%	0.635	30%	0.297	S	S	*	.			trans	-128.6	115.2	178.6	-174.2	0	0	0	0	108.5
29	V	98.3	Very high	96.4	Very high	11 Å²	11	46.2 Å²	46.2	7%	0.067	27%	0.271	C	S	.	.			trans	-134.4	85.4	179	-176.8	0	0	0	0	107.5	L26 I32 T35 M49 R74	L26-V29 HydrophobicContact CB-CG2 4.13Å; V29-I32 HydrophobicContact CG1-CB 4.38Å; V29-T35 HydrophobicContact CG1-CG2 4.04Å; V29-T35 HydrophobicContact CG2-CG2 4.38Å; V29-M49 HydrophobicContact CB-CE 4.27Å; V29-M49 HydrophobicContact CG1-CE 4.09Å; V29-M49 HydrophobicContact CG1-SD 4.13Å; V29-M49 HydrophobicContact CG2-CB 3.75Å; V29-M49 HydrophobicContact CG2-CE 4.39Å; V29-M49 HydrophobicContact CG2-SD 4.25Å; V29-R74 PolarHBondContact O-NH1 2.81Å; V29-R74 PolarHBondContact O-NH2 3.23Å
30	P	97.1	Very high	97.1	Very high	97 Å²	97	42.3 Å²	42.3	63%	0.63	27%	0.268	S	S	*	.	S	Bend	trans	-59.6	-55.9	180	-22.3	33.8	0	0	0	111
31	E	97.8	Very high	97.6	Very high	118 Å²	118	49.9 Å²	49.9	55%	0.551	30%	0.299	S	S	*	.	S	Bend	trans	-121.1	120.4	178.1	-67.9	-57	151.1	0	0	110.2	D34 T35	E31-D34 HydrophobicContact CB-CB 4.15Å; E31-T35 WeakPolarHBondContact O-CB 3.2Å; E31-T35 PolarHBondContact O-N 3.06Å; E31-T35 PolarHBondContact O-OG1 2.65Å
32	I	98	Very high	97.6	Very high	3 Å²	3	49.8 Å²	49.8	2%	0.015	30%	0.296	C	S	.	.	H	α-helix	trans	-69.2	-46.9	-169.4	-168.3	171.3	0	0	0	113	V29 T35 L36 M49 L78 L79 W84	V29-I32 HydrophobicContact CG1-CB 4.38Å; I32-T35 PolarHBondContact O-N 3.49Å; I32-L36 WeakPolarHBondContact O-CB 3.46Å; I32-L36 PolarHBondContact O-N 2.7Å; I32-M49 HydrophobicContact CD1-CE 3.73Å; I32-M49 HydrophobicContact CD1-SD 3.8Å; I32-M49 HydrophobicContact CG1-CE 4.09Å; I32-M49 HydrophobicContact CG1-SD 3.86Å; I32-L78 HydrophobicContact CG2-CB 3.52Å; I32-L78 HydrophobicContact CG2-CD1 3.83Å; I32-L78 HydrophobicContact CG2-CG 4.27Å; I32-L79 HydrophobicContact CD1-CD1 3.55Å; I32-L79 HydrophobicContact CD1-CG 4.05Å; I32-L79 HydrophobicContact CG1-CD1 3.92Å; I32-L79 HydrophobicContact CG1-CG 4.28Å; I32-L79 HydrophobicContact CG2-CG 4.37Å; I32-W84 HydrophobicContact CD1-CH2 3.29Å; I32-W84 HydrophobicContact CD1-CZ2 3.93Å; I32-W84 HydrophobicContact CD1-CZ3 3.89Å
33	A	96.7	Very high	97.5	Very high	49 Å²	49	50.3 Å²	50.3	41%	0.405	30%	0.301	S	S	.	.	H	α-helix	trans	-65	-45.8	-176.8	0	0	0	0	0	111	L36 A37 L79	A33-L36 PolarHBondContact O-N 2.63Å; A33-A37 WeakPolarHBondContact O-CB 3.16Å; A33-A37 PolarHBondContact O-N 3.1Å; A33-L79 HydrophobicContact CB-CD2 4.43Å
34	D	97.9	Very high	97.4	Very high	113 Å²	113	50.7 Å²	50.7	60%	0.604	30%	0.303	S	S	*	.	H	α-helix	trans	-65	-41.8	177.8	-66.2	-16.2	0	0	0	111.8	E31 A37 A38	E31-D34 HydrophobicContact CB-CB 4.15Å; D34-A37 PolarHBondContact O-N 3.44Å; D34-A38 WeakPolarHBondContact O-CB 3.37Å; D34-A38 PolarHBondContact O-N 3.05Å
35	T	98.1	Very high	97.4	Very high	23 Å²	23	52 Å²	52	14%	0.141	31%	0.311	C	S	.	.	H	α-helix	trans	-64.4	-45	177.5	-58.5	0	0	0	0	111	L26 V29 E31 I32 A37 A38 V39 L47	L26-T35 HydrophobicContact CD1-CG2 3.5Å; V29-T35 HydrophobicContact CG1-CG2 4.04Å; V29-T35 HydrophobicContact CG2-CG2 4.38Å; E31-T35 WeakPolarHBondContact O-CB 3.2Å; E31-T35 PolarHBondContact O-N 3.06Å; E31-T35 PolarHBondContact O-OG1 2.65Å; I32-T35 PolarHBondContact O-N 3.49Å; T35-A37 PolarHBondContact O-N 2.9Å; T35-A38 PolarHBondContact O-N 3.46Å; T35-V39 HydrophobicContact CG2-CG2 4.39Å; T35-V39 WeakPolarHBondContact O-CB 3.17Å; T35-V39 VanDerWaalsContact O-CG2 3.27Å; T35-V39 WeakPolarHBondContact O-CG2 3.32Å; T35-V39 PolarHBondContact O-N 3.33Å; T35-L47 HydrophobicContact CG2-CD2 4.13Å
36	L	97.6	Very high	97.4	Very high	16 Å²	16	52.4 Å²	52.4	8%	0.084	31%	0.313	C	S	.	.	H	α-helix	trans	-62.1	-43.7	177.6	-176.7	61.6	0	0	0	111.2	I32 A33 A38 V39 A40 L47 L79 D83 L87 I88	I32-L36 WeakPolarHBondContact O-CB 3.46Å; I32-L36 PolarHBondContact O-N 2.7Å; A33-L36 PolarHBondContact O-N 2.63Å; L36-A38 PolarHBondContact O-N 3.22Å; L36-V39 PolarHBondContact O-N 3.02Å; L36-A40 WeakPolarHBondContact O-CB 3.19Å; L36-A40 PolarHBondContact O-N 3.48Å; L36-L47 HydrophobicContact CD1-CB 4.07Å; L36-L47 HydrophobicContact CD1-CD2 4.38Å; L36-L79 HydrophobicContact CD2-CD1 4.1Å; L36-L79 HydrophobicContact CD2-CD2 3.91Å; L36-D83 HydrophobicContact CD2-CB 4.42Å; L36-L87 HydrophobicContact CD1-CB 4.11Å; L36-L87 HydrophobicContact CD2-CB 4.48Å; L36-L87 HydrophobicContact CD2-CD1 4.11Å; L36-I88 HydrophobicContact CD1-CD1 4.06Å; L36-I88 HydrophobicContact CD2-CD1 4.36Å
37	A	97.6	Very high	97.4	Very high	62 Å²	62	50.7 Å²	50.7	51%	0.512	30%	0.304	S	S	.	.	H	α-helix	trans	-62.1	-41.1	175.5	0	0	0	0	0	112.3	A33 D34 T35 A40 K41	A33-A37 WeakPolarHBondContact O-CB 3.16Å; A33-A37 PolarHBondContact O-N 3.1Å; D34-A37 PolarHBondContact O-N 3.44Å; T35-A37 PolarHBondContact O-N 2.9Å; A37-A40 PolarHBondContact O-N 3.11Å; A37-K41 WeakPolarHBondContact O-CB 3.46Å; A37-K41 PolarHBondContact O-N 3.44Å
38	A	97.3	Very high	97.5	Very high	52 Å²	52	47.4 Å²	47.4	43%	0.43	29%	0.286	S	S	.	.	H	α-helix	trans	-65	-42.2	176	0	0	0	0	0	112.1	D34 T35 L36 K41 L42	D34-A38 WeakPolarHBondContact O-CB 3.37Å; D34-A38 PolarHBondContact O-N 3.05Å; T35-A38 PolarHBondContact O-N 3.46Å; L36-A38 PolarHBondContact O-N 3.22Å; A38-K41 PolarHBondContact O-N 3.41Å; A38-L42 WeakPolarHBondContact O-CG 3.29Å; A38-L42 PolarHBondContact O-N 3.39Å; A38-L42 VanDerWaalsContact O-N 3.16Å
39	V	97.6	Very high	97.5	Very high	8 Å²	8	43 Å²	43	5%	0.048	26%	0.256	C	S	.	.	H	α-helix	trans	-63.5	-44.4	176.3	167.7	0	0	0	0	111.2	R24 L26 T35 L36 K41 L42 G43 F44 L47	R24-V39 HydrophobicContact CB-CG1 3.7Å; R24-V39 HydrophobicContact CB-CG2 4.14Å; R24-V39 HydrophobicContact CG-CG1 4.49Å; R24-V39 HydrophobicContact CG-CG2 4.08Å; L26-V39 HydrophobicContact CD1-CG2 4.27Å; T35-V39 HydrophobicContact CG2-CG2 4.39Å; T35-V39 WeakPolarHBondContact O-CB 3.17Å; T35-V39 VanDerWaalsContact O-CG2 3.27Å; T35-V39 WeakPolarHBondContact O-CG2 3.32Å; T35-V39 PolarHBondContact O-N 3.33Å; L36-V39 PolarHBondContact O-N 3.02Å; V39-K41 VanDerWaalsContact C-N 3.34Å; V39-K41 PolarHBondContact O-N 3.24Å; V39-L42 WeakPolarHBondContact O-CB 3.44Å; V39-L42 PolarHBondContact O-N 2.91Å; V39-G43 PolarHBondContact O-N 3.3Å; V39-F44 HydrophobicContact CG1-CB 3.59Å; V39-F44 HydrophobicContact CG1-CD2 4.08Å; V39-F44 HydrophobicContact CG1-CG 4.16Å; V39-F44 PolarHBondContact O-N 2.87Å; V39-L47 HydrophobicContact CG1-CB 4.46Å; V39-L47 HydrophobicContact CG2-CD1 4.32Å
40	A	96.6	Very high	97.5	Very high	57 Å²	57	42.8 Å²	42.8	47%	0.471	26%	0.255	S	S	.	.	H	α-helix	trans	-62.5	-40	175	0	0	0	0	0	112.1	L36 A37 L42 G43	L36-A40 WeakPolarHBondContact O-CB 3.19Å; L36-A40 PolarHBondContact O-N 3.48Å; A37-A40 PolarHBondContact O-N 3.11Å; A40-L42 PolarHBondContact O-N 2.98Å; A40-G43 WeakPolarHBondContact O-CA 3.34Å; A40-G43 PolarHBondContact O-N 3.01Å
41	K	96.8	Very high	97.6	Very high	177 Å²	177	38.3 Å²	38.3	77%	0.77	23%	0.226	S	C	*	.	H	α-helix	trans	-61.9	-31.1	176.2	-173.6	178	178.4	-178.4	0	112.8	A37 A38 V39 G43	A37-K41 WeakPolarHBondContact O-CB 3.46Å; A37-K41 PolarHBondContact O-N 3.44Å; A38-K41 PolarHBondContact O-N 3.41Å; V39-K41 VanDerWaalsContact C-N 3.34Å; V39-K41 PolarHBondContact O-N 3.24Å; K41-G43 PolarHBondContact O-N 3.46Å
42	L	95.2	Very high	97.6	Very high	38 Å²	38	33 Å²	33	20%	0.199	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-11.9	173.6	-68.8	171	0	0	0	113.2	A38 V39 A40 F44 D282 F283 R284	A38-L42 WeakPolarHBondContact O-CG 3.29Å; A38-L42 PolarHBondContact O-N 3.39Å; A38-L42 VanDerWaalsContact O-N 3.16Å; V39-L42 WeakPolarHBondContact O-CB 3.44Å; V39-L42 PolarHBondContact O-N 2.91Å; A40-L42 PolarHBondContact O-N 2.98Å; L42-F44 HydrophobicContact CB-CD2 3.78Å; L42-F44 HydrophobicContact CB-CE2 3.78Å; L42-F44 HydrophobicContact CD1-CE2 4.23Å; L42-D282 WeakPolarHBondContact CD2-OD1 3.48Å; L42-F283 HydrophobicContact CD1-CB 4.25Å; L42-F283 HydrophobicContact CD2-CB 4.32Å; L42-R284 HydrophobicContact CD2-CB 4.35Å; L42-R284 WeakPolarHBondContact O-CG 3.5Å
43	G	95.4	Very high	97.6	Very high	11 Å²	11	37 Å²	37	11%	0.113	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.5	9.8	177.2	0	0	0	0	0	115.1	R19 V39 A40 K41 L287	R19-G43 PolarHBondContact NH2-O 3.28Å; V39-G43 PolarHBondContact O-N 3.3Å; A40-G43 WeakPolarHBondContact O-CA 3.34Å; A40-G43 PolarHBondContact O-N 3.01Å; K41-G43 PolarHBondContact O-N 3.46Å; G43-L287 WeakPolarHBondContact O-CD2 3.25Å
44	F	97.3	Very high	97.6	Very high	9 Å²	9	35.9 Å²	35.9	4%	0.039	21%	0.208	C	C	.	.			trans	-77.2	146.3	172.7	-63.8	-74.5	0	0	0	111.1	C22 R24 V39 L42 F272 F283	C22-F44 HydrophobicContact CB-CD1 4.1Å; C22-F44 CarbonylContact O-C 3.54Å; R24-F44 HydrophobicContact CB-CB 4.45Å; R24-F44 HydrophobicContact CB-CD1 4.3Å; R24-F44 HydrophobicContact CB-CD2 3.99Å; R24-F44 HydrophobicContact CB-CE2 4.4Å; R24-F44 HydrophobicContact CB-CG 3.97Å; V39-F44 HydrophobicContact CG1-CB 3.59Å; V39-F44 HydrophobicContact CG1-CD2 4.08Å; V39-F44 HydrophobicContact CG1-CG 4.16Å; V39-F44 PolarHBondContact O-N 2.87Å; L42-F44 HydrophobicContact CB-CD2 3.78Å; L42-F44 HydrophobicContact CB-CE2 3.78Å; L42-F44 HydrophobicContact CD1-CE2 4.23Å; F44-F272 HydrophobicContact CD1-CD2 4.46Å; F44-F272 HydrophobicContact CE1-CB 4.23Å; F44-F272 AromaticContact CE1-CD2 3.56Å; F44-F272 HydrophobicContact CE1-CD2 3.56Å; F44-F272 HydrophobicContact CE1-CE2 4.18Å; F44-F272 HydrophobicContact CE1-CG 4.09Å; F44-F272 HydrophobicContact CZ-CB 4.48Å; F44-F272 HydrophobicContact CZ-CD2 4.37Å; F44-F283 AromaticContact CE2-CD1 3.7Å; F44-F283 HydrophobicContact CE2-CD1 3.7Å; F44-F283 AromaticContact CE2-CE1 3.86Å; F44-F283 HydrophobicContact CE2-CE1 3.86Å; F44-F283 AromaticContact CZ-CD1 3.66Å; F44-F283 HydrophobicContact CZ-CD1 3.66Å; F44-F283 AromaticContact CZ-CE1 3.49Å; F44-F283 HydrophobicContact CZ-CE1 3.49Å; F44-F283 VanDerWaalsContact CZ-CE1 3.49Å
45	D	97.7	Very high	97.5	Very high	47 Å²	47	40.3 Å²	40.3	25%	0.251	22%	0.216	S	C	.	.	S	Bend	trans	-88.3	-24.9	-178.4	-53.8	-56.9	0	0	0	112.5	R19 S21 C22 L87	R19-D45 IonicContact CZ-OD1 3.22Å; R19-D45 IonicContact NE-OD1 2.7Å; R19-D45 IonicContact NH1-OD1 3.64Å; R19-D45 PolarHBondContact NH1-OD1 3.01Å; R19-D45 IonicContact NH2-OD1 3.22Å; R19-D45 PolarHBondContact NH2-OD1 2.81Å; R19-D45 IonicContact NH2-OD2 3.66Å; S21-D45 VanDerWaalsContact CA-OD2 3.28Å; S21-D45 WeakPolarHBondContact CA-OD2 3.41Å; C22-D45 PolarHBondContact N-OD2 3.07Å; C22-D45 PolarHBondContact O-N 2.71Å; D45-L87 WeakPolarHBondContact O-CD2 3.43Å
46	F	98.6	Very high	97.5	Very high	11 Å²	11	41.9 Å²	41.9	5%	0.048	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	166.2	179.2	63.9	-88.2	0	0	0	113.2	G23 R24 L87 V89 W158 Q269 I271	G23-F46 CarbonylContact C-O 3.57Å; G23-F46 WeakPolarHBondContact CA-O 3.24Å; R24-F46 PolarHBondContact N-O 2.96Å; F46-L87 CarbonylContact C-O 3.56Å; F46-L87 VanDerWaalsContact CA-O 3.28Å; F46-L87 WeakPolarHBondContact CA-O 3.24Å; F46-L87 WeakPolarHBondContact CB-O 3.39Å; F46-V89 HydrophobicContact CD2-CG2 3.6Å; F46-V89 HydrophobicContact CE2-CG2 3.89Å; F46-W158 HydrophobicContact CE2-CH2 4.2Å; F46-W158 HydrophobicContact CE2-CZ3 4.09Å; F46-W158 HydrophobicContact CZ-CH2 4.09Å; F46-W158 HydrophobicContact CZ-CZ3 4.31Å; F46-Q269 HydrophobicContact CE1-CB 4.2Å; F46-Q269 HydrophobicContact CZ-CB 4.14Å; F46-I271 HydrophobicContact CE2-CD1 4.36Å; F46-I271 HydrophobicContact CE2-CG1 4.05Å; F46-I271 HydrophobicContact CZ-CG1 3.96Å
47	L	98.8	Very high	97.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	121.9	-179.2	169.7	59	0	0	0	110.2	R24 L26 T35 L36 V39 M49 L87 I88 V89	R24-L47 CarbonylContact O-C 3.58Å; R24-L47 WeakPolarHBondContact O-CA 3.28Å; R24-L47 WeakPolarHBondContact O-CD1 3.3Å; L26-L47 HydrophobicContact CB-CD1 4.19Å; L26-L47 HydrophobicContact CD1-CD1 3.82Å; L26-L47 HydrophobicContact CG-CD1 3.95Å; T35-L47 HydrophobicContact CG2-CD2 4.13Å; L36-L47 HydrophobicContact CD1-CB 4.07Å; L36-L47 HydrophobicContact CD1-CD2 4.38Å; V39-L47 HydrophobicContact CG1-CB 4.46Å; V39-L47 HydrophobicContact CG2-CD1 4.32Å; L47-M49 HydrophobicContact CD1-CB 4.37Å; L47-M49 HydrophobicContact CD2-CB 4.47Å; L47-M49 HydrophobicContact CD2-CG 4.27Å; L47-M49 HydrophobicContact CD2-SD 3.81Å; L47-M49 HydrophobicContact CG-CB 4.14Å; L47-M49 HydrophobicContact CG-CG 4.11Å; L47-M49 HydrophobicContact CG-SD 4.3Å; L47-L87 PolarHBondContact N-O 3.34Å; L47-I88 HydrophobicContact CB-CD1 4.16Å; L47-I88 HydrophobicContact CD2-CD1 4.26Å; L47-I88 HydrophobicContact CG-CD1 4.45Å; L47-I88 WeakPolarHBondContact O-CA 3.5Å; L47-V89 PolarHBondContact O-N 3.06Å
48	C	98.8	Very high	97.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	120.7	165.9	-43.5	0	0	0	0	109.3	R24 D25 L26 V89 K91	R24-C48 PolarHBondContact O-N 3.1Å; D25-C48 HydrophobicContact CB-CB 4.2Å; L26-C48 PolarHBondContact N-O 3.01Å; C48-V89 CarbonylContact C-O 3.51Å; C48-V89 VanDerWaalsContact CA-O 3.29Å; C48-V89 WeakPolarHBondContact CA-O 3.34Å; C48-V89 HydrophobicContact CB-CB 4.17Å; C48-V89 HydrophobicContact CB-CG1 4.41Å; C48-K91 HydrophobicContact CB-CD 4.1Å; C48-K91 HydrophobicContact CB-CG 4.34Å
49	M	98.6	Very high	97.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	154.8	-177.9	59.9	169.4	-82.2	0	0	113.9	V29 I32 L47 L51 I88 V89 K91	V29-M49 HydrophobicContact CB-CE 4.27Å; V29-M49 HydrophobicContact CG1-CE 4.09Å; V29-M49 HydrophobicContact CG1-SD 4.13Å; V29-M49 HydrophobicContact CG2-CB 3.75Å; V29-M49 HydrophobicContact CG2-CE 4.39Å; V29-M49 HydrophobicContact CG2-SD 4.25Å; I32-M49 HydrophobicContact CD1-CE 3.73Å; I32-M49 HydrophobicContact CD1-SD 3.8Å; I32-M49 HydrophobicContact CG1-CE 4.09Å; I32-M49 HydrophobicContact CG1-SD 3.86Å; L47-M49 HydrophobicContact CD1-CB 4.37Å; L47-M49 HydrophobicContact CD2-CB 4.47Å; L47-M49 HydrophobicContact CD2-CG 4.27Å; L47-M49 HydrophobicContact CD2-SD 3.81Å; L47-M49 HydrophobicContact CG-CB 4.14Å; L47-M49 HydrophobicContact CG-CG 4.11Å; L47-M49 HydrophobicContact CG-SD 4.3Å; M49-L51 PolarHBondContact O-N 3.49Å; M49-I88 HydrophobicContact CG-CG2 4.11Å; M49-I88 HydrophobicContact SD-CD1 4.31Å; M49-V89 PolarHBondContact N-O 2.83Å; M49-K91 PolarHBondContact O-N 3.48Å
50	P	98.6	Very high	97.3	Very high	8 Å²	8	44.9 Å²	44.9	5%	0.052	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	133.2	171.9	-19.9	32.1	0	0	0	111.1	L26 F52 P54	L26-P50 VanDerWaalsContact O-CD 3.27Å; L26-P50 WeakPolarHBondContact O-CD 3.49Å; P50-F52 VanDerWaalsContact C-N 3.35Å; P50-F52 WeakPolarHBondContact CB-O 3.42Å; P50-P54 HydrophobicContact CB-CG 4.48Å; P50-P54 HydrophobicContact CG-CB 4.31Å; P50-P54 HydrophobicContact CG-CG 4.06Å
51	L	98.3	Very high	97.2	Very high	3 Å²	3	45.8 Å²	45.8	2%	0.016	21%	0.211	C	C	.	.	S	Bend	trans	-78.9	-25.4	172.2	-58.1	-174	0	0	0	112.1	M49 T73 W84 F119 L123 L125 F128	M49-L51 PolarHBondContact O-N 3.49Å; L51-T73 PolarHBondContact O-OG1 3.31Å; L51-W84 HydrophobicContact CD2-CZ3 4.47Å; L51-F119 HydrophobicContact CB-CD1 4.21Å; L51-F119 HydrophobicContact CD1-CD1 4.35Å; L51-L123 HydrophobicContact CD1-CD1 4.35Å; L51-L123 HydrophobicContact CD2-CD1 4.13Å; L51-L125 HydrophobicContact CD1-CD1 3.63Å; L51-L125 HydrophobicContact CD2-CD1 3.76Å; L51-L125 HydrophobicContact CG-CD1 4.22Å; L51-F128 HydrophobicContact CD1-CD2 4.09Å; L51-F128 HydrophobicContact CD1-CE2 3.7Å; L51-F128 HydrophobicContact CG-CE2 4.2Å
52	F	98.6	Very high	97.1	Very high	6 Å²	6	42 Å²	42	3%	0.026	20%	0.199	C	C	.	.	S	Bend	trans	-118.3	149.8	172.1	-71.4	-107.4	0	0	0	108.2	P50 P54 Q72 T73 Q115 E116 F119	P50-F52 VanDerWaalsContact C-N 3.35Å; P50-F52 WeakPolarHBondContact CB-O 3.42Å; F52-P54 VanDerWaalsContact O-N 3.16Å; F52-Q72 WeakPolarHBondContact CD1-O 3.43Å; F52-Q72 HydrophobicContact CE1-CB 3.99Å; F52-T73 HydrophobicContact CD1-CG2 4.1Å; F52-T73 HydrophobicContact CD2-CG2 4.41Å; F52-T73 HydrophobicContact CE1-CG2 3.74Å; F52-T73 HydrophobicContact CE2-CG2 4.09Å; F52-T73 HydrophobicContact CG-CG2 4.41Å; F52-T73 HydrophobicContact CZ-CG2 3.73Å; F52-Q115 HydrophobicContact CE1-CG 4.38Å; F52-Q115 HydrophobicContact CZ-CG 3.94Å; F52-E116 HydrophobicContact CD2-CB 4.49Å; F52-E116 HydrophobicContact CD2-CG 3.56Å; F52-E116 HydrophobicContact CE2-CG 3.87Å; F52-E116 HydrophobicContact CG-CG 4.22Å; F52-F119 HydrophobicContact CE2-CB 3.95Å; F52-F119 AromaticContact CE2-CD1 3.75Å; F52-F119 HydrophobicContact CE2-CD1 3.75Å; F52-F119 HydrophobicContact CE2-CG 4.05Å; F52-F119 HydrophobicContact CZ-CB 4.31Å; F52-F119 HydrophobicContact CZ-CD1 4.26Å; F52-F119 HydrophobicContact CZ-CG 4.29Å
53	H	98.3	Very high	97.1	Very high	88 Å²	88	45.5 Å²	45.5	41%	0.407	22%	0.215	S	C	.	.			trans	-59.5	124.4	178.8	-178.4	-79.2	0	0	0	109.5	R55 F56	H53-R55 PolarHBondContact CE1-NE 3.35Å; H53-R55 PolarHBondContact ND1-N 2.88Å; H53-R55 PolarHBondContact O-N 2.92Å; H53-F56 HydrophobicContact CB-CB 4.01Å; H53-F56 VanDerWaalsContact O-CB 3.28Å; H53-F56 WeakPolarHBondContact O-CB 3.36Å; H53-F56 PolarHBondContact O-N 3.02Å
54	P	95.5	Very high	97.1	Very high	24 Å²	24	50.5 Å²	50.5	16%	0.156	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-16.3	-164.8	24.8	-34.8	0	0	0	114.2	N27 P50 F52	N27-P54 WeakPolarHBondContact O-CG 3.39Å; P50-P54 HydrophobicContact CB-CG 4.48Å; P50-P54 HydrophobicContact CG-CB 4.31Å; P50-P54 HydrophobicContact CG-CG 4.06Å; F52-P54 VanDerWaalsContact O-N 3.16Å
55	R	97.1	Very high	97.1	Very high	206 Å²	206	51.9 Å²	51.9	78%	0.777	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-4.2	172.2	-52.8	-176.7	-72.2	122.4	3.3	114	H53 K57	H53-R55 PolarHBondContact CE1-NE 3.35Å; H53-R55 PolarHBondContact ND1-N 2.88Å; H53-R55 PolarHBondContact O-N 2.92Å; R55-K57 VanDerWaalsContact C-N 3.34Å; R55-K57 PolarHBondContact O-N 3.33Å
56	F	97.7	Very high	97	Very high	56 Å²	56	54.8 Å²	54.8	25%	0.246	27%	0.269	C	S	.	.			trans	-84.1	79.6	-178	-173.4	-115.3	0	0	0	109.6	H53 R58	H53-F56 HydrophobicContact CB-CB 4.01Å; H53-F56 VanDerWaalsContact O-CB 3.28Å; H53-F56 WeakPolarHBondContact O-CB 3.36Å; H53-F56 PolarHBondContact O-N 3.02Å; F56-R58 HydrophobicContact CD1-CG 3.81Å; F56-R58 HydrophobicContact CE1-CG 3.83Å; F56-R58 PolarHBondContact O-NH1 2.92Å; F56-R58 VanDerWaalsContact O-NH1 3.08Å
57	K	97.4	Very high	96.8	Very high	96 Å²	96	58 Å²	58	42%	0.417	29%	0.293	S	S	.	.			trans	-65.9	134.8	172.7	-163.3	168.6	-173.8	178.7	0	109.2	R55 R68 W95 E105	R55-K57 VanDerWaalsContact C-N 3.34Å; R55-K57 PolarHBondContact O-N 3.33Å; K57-R68 PolarHBondContact O-NH1 3.5Å; K57-R68 VanDerWaalsContact O-NH1 3.08Å; K57-W95 HydrophobicContact CB-CD2 4.26Å; K57-W95 HydrophobicContact CB-CG 4.49Å; K57-W95 HydrophobicContact CD-CD2 4.46Å; K57-W95 HydrophobicContact CD-CE3 4.23Å; K57-W95 HydrophobicContact CG-CD2 3.81Å; K57-W95 HydrophobicContact CG-CE3 3.72Å; K57-W95 HydrophobicContact CG-CG 4.33Å; K57-W95 HydrophobicContact CG-CH2 4.18Å; K57-W95 HydrophobicContact CG-CZ2 4.3Å; K57-W95 HydrophobicContact CG-CZ3 3.93Å; K57-E105 IonicContact NZ-OE1 3.09Å; K57-E105 PolarHBondContact NZ-OE1 3.24Å
58	R	97.4	Very high	96.7	Very high	19 Å²	19	62.8 Å²	62.8	7%	0.072	31%	0.31	C	S	.	.			trans	-117.8	133.8	-173.1	-62.9	177	-61.9	-79.9	8.4	109	F56 W95 E116	F56-R58 HydrophobicContact CD1-CG 3.81Å; F56-R58 HydrophobicContact CE1-CG 3.83Å; F56-R58 PolarHBondContact O-NH1 2.92Å; F56-R58 VanDerWaalsContact O-NH1 3.08Å; R58-W95 HydrophobicContact CB-CH2 4.19Å; R58-W95 HydrophobicContact CB-CZ2 4.2Å; R58-W95 HydrophobicContact CG-CZ2 4.4Å; R58-E116 IonicContact CZ-OE1 3.19Å; R58-E116 IonicContact NH1-OE1 2.66Å; R58-E116 IonicContact NH2-OE1 2.87Å; R58-E116 PolarHBondContact NH2-OE1 3.25Å
59	E	96.9	Very high	96.6	Very high	47 Å²	47	68.4 Å²	68.4	22%	0.22	35%	0.347	C	S	.	.			trans	-100.4	138.9	176.2	176.2	55.5	-115.4	0	0	108.2	E61 L62 A65 K66 N108	E59-E61 PolarHBondContact OE1-N 2.88Å; E59-L62 HydrophobicContact CG-CB 4.07Å; E59-L62 VanDerWaalsContact CG-O 3.23Å; E59-L62 WeakPolarHBondContact CG-O 3.39Å; E59-L62 PolarHBondContact OE1-N 2.97Å; E59-A65 HydrophobicContact CB-CB 3.7Å; E59-A65 HydrophobicContact CG-CB 3.95Å; E59-K66 HydrophobicContact CG-CB 4.43Å; E59-K66 WeakPolarHBondContact O-CA 3.5Å; E59-N108 PolarHBondContact OE1-ND2 2.78Å; E59-N108 VanDerWaalsContact OE1-ND2 3.16Å; E59-N108 PolarHBondContact OE1-OD1 3.16Å; E59-N108 VanDerWaalsContact OE1-OD1 3.07Å; E59-N108 PolarHBondContact OE2-ND2 2.95Å
60	S	94.4	Very high	96.4	Very high	40 Å²	40	71.5 Å²	71.5	28%	0.28	38%	0.379	S	S	.	.	S	Bend	trans	-122.9	-16.3	-173.8	65.7	0	0	0	0	113.3	K66 N108	S60-K66 VanDerWaalsContact O-CD 3.22Å; S60-K66 WeakPolarHBondContact O-CD 3.28Å; S60-K66 WeakPolarHBondContact O-CE 3.3Å; S60-K66 PolarHBondContact O-NZ 3.2Å; S60-N108 WeakPolarHBondContact CB-OD1 3.4Å; S60-N108 PolarHBondContact N-OD1 2.83Å; S60-N108 PolarHBondContact OG-OD1 2.83Å
61	E	93.4	Very high	96.3	Very high	75 Å²	75	75.4 Å²	75.4	35%	0.35	41%	0.412	S	S	.	.	S	Bend	trans	-111.3	-44.9	-176.9	-62.2	-164.3	143.9	0	0	112.1	E59 R107	E59-E61 PolarHBondContact OE1-N 2.88Å; E61-R107 WeakPolarHBondContact OE1-CD 3.49Å; E61-R107 IonicContact OE1-CZ 3.42Å; E61-R107 IonicContact OE1-NE 3.97Å; E61-R107 IonicContact OE1-NH1 3.97Å; E61-R107 PolarHBondContact OE1-NH1 2.81Å; E61-R107 IonicContact OE2-NH1 3.89Å
62	L	95.2	Very high	96.3	Very high	98 Å²	98	78.5 Å²	78.5	51%	0.513	43%	0.426	S	S	.	.	S	Bend	trans	-100.6	133.7	-166.7	-58.2	178.4	0	0	0	114.5	E59 A65 K66	E59-L62 HydrophobicContact CG-CB 4.07Å; E59-L62 VanDerWaalsContact CG-O 3.23Å; E59-L62 WeakPolarHBondContact CG-O 3.39Å; E59-L62 PolarHBondContact OE1-N 2.97Å; L62-A65 PolarHBondContact O-N 3.37Å; L62-K66 VanDerWaalsContact O-CB 3.24Å; L62-K66 WeakPolarHBondContact O-CB 3.45Å; L62-K66 PolarHBondContact O-N 3.12Å
63	E	94.9	Very high	96.3	Very high	112 Å²	112	79.8 Å²	79.8	52%	0.523	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	151.9	170.7	-67.6	-60.5	172	0	0	112.2	S67	E63-S67 VanDerWaalsContact CD-OG 3.25Å; E63-S67 PolarHBondContact OE1-OG 3.29Å; E63-S67 WeakPolarHBondContact OE2-CB 3.44Å; E63-S67 PolarHBondContact OE2-N 3.23Å; E63-S67 PolarHBondContact OE2-OG 2.9Å; E63-S67 VanDerWaalsContact OE2-OG 3.12Å
64	P	95.6	Very high	96.3	Very high	115 Å²	115	78.6 Å²	78.6	75%	0.747	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	cis	-87.1	-2.8	3	35.7	-36.4	0	0	0	114.1	K66 S67	P64-K66 PolarHBondContact O-N 2.88Å; P64-S67 PolarHBondContact O-N 2.83Å
65	A	96.4	Very high	96.4	Very high	39 Å²	39	80 Å²	80	32%	0.322	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-31.4	-170.1	0	0	0	0	0	112.9	E59 L62 S67 R68	E59-A65 HydrophobicContact CB-CB 3.7Å; E59-A65 HydrophobicContact CG-CB 3.95Å; L62-A65 PolarHBondContact O-N 3.37Å; A65-S67 VanDerWaalsContact C-N 3.3Å; A65-S67 PolarHBondContact O-N 2.72Å; A65-R68 WeakPolarHBondContact O-CB 3.39Å; A65-R68 PolarHBondContact O-N 3.48Å
66	K	95.8	Very high	96.5	Very high	108 Å²	108	72.4 Å²	72.4	47%	0.47	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-42.5	171.5	177.6	-177.2	-177.6	165.5	0	112.5	E59 S60 L62 P64 R68	E59-K66 HydrophobicContact CG-CB 4.43Å; E59-K66 WeakPolarHBondContact O-CA 3.5Å; S60-K66 VanDerWaalsContact O-CD 3.22Å; S60-K66 WeakPolarHBondContact O-CD 3.28Å; S60-K66 WeakPolarHBondContact O-CE 3.3Å; S60-K66 PolarHBondContact O-NZ 3.2Å; L62-K66 VanDerWaalsContact O-CB 3.24Å; L62-K66 WeakPolarHBondContact O-CB 3.45Å; L62-K66 PolarHBondContact O-N 3.12Å; P64-K66 PolarHBondContact O-N 2.88Å; K66-R68 PolarHBondContact O-N 2.95Å
67	S	95.5	Very high	96.5	Very high	79 Å²	79	76.6 Å²	76.6	55%	0.552	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	25.4	179.6	-70.3	0	0	0	0	114.2	E63 P64 A65 P69	E63-S67 VanDerWaalsContact CD-OG 3.25Å; E63-S67 PolarHBondContact OE1-OG 3.29Å; E63-S67 WeakPolarHBondContact OE2-CB 3.44Å; E63-S67 PolarHBondContact OE2-N 3.23Å; E63-S67 PolarHBondContact OE2-OG 2.9Å; E63-S67 VanDerWaalsContact OE2-OG 3.12Å; P64-S67 PolarHBondContact O-N 2.83Å; A65-S67 VanDerWaalsContact C-N 3.3Å; A65-S67 PolarHBondContact O-N 2.72Å; S67-P69 WeakPolarHBondContact O-CD 3.42Å
68	R	96.9	Very high	96.5	Very high	99 Å²	99	76 Å²	76	37%	0.374	44%	0.437	S	S	.	.			trans	-56.1	120.6	177.8	-179.4	-179	-68.7	157.6	3.8	110.6	K57 A65 K66 Q72	K57-R68 PolarHBondContact O-NH1 3.5Å; K57-R68 VanDerWaalsContact O-NH1 3.08Å; A65-R68 WeakPolarHBondContact O-CB 3.39Å; A65-R68 PolarHBondContact O-N 3.48Å; K66-R68 PolarHBondContact O-N 2.95Å; R68-Q72 PolarHBondContact O-NE2 2.98Å
69	P	95.2	Very high	96.6	Very high	119 Å²	119	76 Å²	76	77%	0.773	44%	0.438	S	S	*	.			trans	-74.6	164.5	-176.9	31.6	-36.3	0	0	0	112.1	S67	S67-P69 WeakPolarHBondContact O-CD 3.42Å
70	G	96.1	Very high	96.6	Very high	64 Å²	64	76.8 Å²	76.8	66%	0.66	45%	0.448	S	S	*	.	S	Bend	trans	96.4	177	175.6	0	0	0	0	0	114.2	Q72	G70-Q72 PolarHBondContact O-NE2 2.76Å
71	A	96.5	Very high	96.7	Very high	90 Å²	90	77.1 Å²	77.1	74%	0.744	46%	0.458	S	S	*	.			trans	-69.2	132	177.1	0	0	0	0	0	110.2	T73	A71-T73 VanDerWaalsContact C-N 3.27Å; A71-T73 PolarHBondContact O-N 2.73Å
72	Q	97.6	Very high	96.9	Very high	69 Å²	69	82.3 Å²	82.3	32%	0.322	47%	0.474	S	S	.	.	S	Bend	trans	-72.3	-23.3	-178.5	-59.6	-60	-47.4	0	0	112.6	F52 R68 G70	F52-Q72 WeakPolarHBondContact CD1-O 3.43Å; F52-Q72 HydrophobicContact CE1-CB 3.99Å; R68-Q72 PolarHBondContact O-NE2 2.98Å; G70-Q72 PolarHBondContact O-NE2 2.76Å
73	T	98.5	Very high	97.1	Very high	33 Å²	33	79.2 Å²	79.2	20%	0.202	46%	0.459	C	S	.	.	S	Bend	trans	-156	-176.6	171.9	-165.5	0	0	0	0	111.2	L51 F52 A71 F119	L51-T73 PolarHBondContact O-OG1 3.31Å; F52-T73 HydrophobicContact CD1-CG2 4.1Å; F52-T73 HydrophobicContact CD2-CG2 4.41Å; F52-T73 HydrophobicContact CE1-CG2 3.74Å; F52-T73 HydrophobicContact CE2-CG2 4.09Å; F52-T73 HydrophobicContact CG-CG2 4.41Å; F52-T73 HydrophobicContact CZ-CG2 3.73Å; A71-T73 VanDerWaalsContact C-N 3.27Å; A71-T73 PolarHBondContact O-N 2.73Å; T73-F119 HydrophobicContact CG2-CD1 4.14Å; T73-F119 HydrophobicContact CG2-CE1 3.55Å; T73-F119 HydrophobicContact CG2-CZ 3.77Å
74	R	97.6	Very high	97.2	Very high	63 Å²	63	74.3 Å²	74.3	24%	0.238	44%	0.435	C	S	.	.			trans	-64	152.1	176.3	70.4	-173.6	67.7	-161.8	-7.5	112.1	V29 L78	V29-R74 PolarHBondContact O-NH1 2.81Å; V29-R74 PolarHBondContact O-NH2 3.23Å; R74-L78 HydrophobicContact CB-CD1 3.75Å; R74-L78 HydrophobicContact CG-CD1 4.2Å
75	S	98.4	Very high	97.3	Very high	54 Å²	54	72.8 Å²	72.8	38%	0.378	42%	0.421	S	S	.	.			trans	-73.5	145.3	178	175.2	0	0	0	0	111.9	L77 L78	S75-L77 PolarHBondContact O-N 3.42Å; S75-L77 WeakPolarHBondContact OG-CB 3.36Å; S75-L77 PolarHBondContact OG-N 3.39Å; S75-L77 VanDerWaalsContact OG-N 3.14Å; S75-L78 WeakPolarHBondContact O-CD1 3.38Å; S75-L78 VanDerWaalsContact O-CG 3.31Å; S75-L78 WeakPolarHBondContact O-CG 3.48Å; S75-L78 PolarHBondContact O-N 2.93Å
76	D	98.3	Very high	97.3	Very high	46 Å²	46	74.8 Å²	74.8	25%	0.246	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-54.8	-34.7	166.3	60.9	-53.1	0	0	0	113.1	L78 L79 W84 Y122 L123	D76-L78 PolarHBondContact O-N 3.42Å; D76-L79 PolarHBondContact O-N 2.99Å; D76-W84 PolarHBondContact O-NE1 3.44Å; D76-Y122 HydrophobicContact CB-CE1 3.92Å; D76-Y122 PolarHBondContact OD2-OH 2.95Å; D76-L123 HydrophobicContact CB-CD2 3.47Å; D76-L123 VanDerWaalsContact CB-CD2 3.47Å
77	L	98.2	Very high	97.5	Very high	144 Å²	144	72 Å²	72	75%	0.754	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-63.7	-9	-177.8	-60.9	178.6	0	0	0	114.4	S75 L79	S75-L77 PolarHBondContact O-N 3.42Å; S75-L77 WeakPolarHBondContact OG-CB 3.36Å; S75-L77 PolarHBondContact OG-N 3.39Å; S75-L77 VanDerWaalsContact OG-N 3.14Å; L77-L79 PolarHBondContact O-N 3.18Å
78	L	98.2	Very high	97.6	Very high	82 Å²	82	68.3 Å²	68.3	43%	0.429	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-69.8	-19.3	176.6	-64.2	174.3	0	0	0	113.2	I32 R74 S75 D76	I32-L78 HydrophobicContact CG2-CB 3.52Å; I32-L78 HydrophobicContact CG2-CD1 3.83Å; I32-L78 HydrophobicContact CG2-CG 4.27Å; R74-L78 HydrophobicContact CB-CD1 3.75Å; R74-L78 HydrophobicContact CG-CD1 4.2Å; S75-L78 WeakPolarHBondContact O-CD1 3.38Å; S75-L78 VanDerWaalsContact O-CG 3.31Å; S75-L78 WeakPolarHBondContact O-CG 3.48Å; S75-L78 PolarHBondContact O-N 2.93Å; D76-L78 PolarHBondContact O-N 3.42Å
79	L	97.9	Very high	97.7	Very high	20 Å²	20	63.8 Å²	63.8	11%	0.105	38%	0.377	C	S	.	.	S	Bend	trans	-133.5	156.1	173.2	-61	177.1	0	0	0	109.9	I32 A33 L36 D76 L77 D83 W84 I88	I32-L79 HydrophobicContact CD1-CD1 3.55Å; I32-L79 HydrophobicContact CD1-CG 4.05Å; I32-L79 HydrophobicContact CG1-CD1 3.92Å; I32-L79 HydrophobicContact CG1-CG 4.28Å; I32-L79 HydrophobicContact CG2-CG 4.37Å; A33-L79 HydrophobicContact CB-CD2 4.43Å; L36-L79 HydrophobicContact CD2-CD1 4.1Å; L36-L79 HydrophobicContact CD2-CD2 3.91Å; D76-L79 PolarHBondContact O-N 2.99Å; L77-L79 PolarHBondContact O-N 3.18Å; L79-D83 HydrophobicContact CB-CB 4.24Å; L79-W84 HydrophobicContact CB-CD2 4.32Å; L79-W84 HydrophobicContact CB-CG 4.44Å; L79-W84 HydrophobicContact CB-CZ2 4.26Å; L79-W84 HydrophobicContact CD1-CD2 4.06Å; L79-W84 HydrophobicContact CD1-CE3 4.15Å; L79-W84 HydrophobicContact CD1-CH2 4.15Å; L79-W84 HydrophobicContact CD1-CZ2 4.02Å; L79-W84 HydrophobicContact CD1-CZ3 4.21Å; L79-W84 HydrophobicContact CG-CZ2 4.25Å; L79-I88 HydrophobicContact CD1-CD1 4.13Å; L79-I88 HydrophobicContact CD1-CG1 3.99Å
80	C	97.8	Very high	97.9	Very high	63 Å²	63	58.1 Å²	58.1	43%	0.426	34%	0.34	S	S	.	.			trans	-74.4	155.3	171.8	78.7	0	0	0	0	110.7	R82 D83 W84	C80-R82 PolarHBondContact O-N 2.82Å; C80-R82 VanDerWaalsContact O-N 3.12Å; C80-D83 PolarHBondContact O-N 2.86Å; C80-D83 PolarHBondContact SG-OD2 2.92Å; C80-W84 PolarHBondContact O-N 3.22Å
81	G	97.3	Very high	98	Very high	48 Å²	48	55.8 Å²	55.8	50%	0.495	31%	0.312	S	S	.	.	H	α-helix	trans	-56.1	-32.6	-179.2	0	0	0	0	0	113.7	D83 W84 N85	G81-D83 PolarHBondContact O-N 3.44Å; G81-W84 PolarHBondContact O-N 3.43Å; G81-N85 WeakPolarHBondContact O-CB 3.3Å; G81-N85 PolarHBondContact O-N 2.78Å; G81-N85 PolarHBondContact O-OD1 2.77Å
82	R	97.8	Very high	98.1	Very high	183 Å²	183	52.3 Å²	52.3	69%	0.691	28%	0.28	S	S	*	.	H	α-helix	trans	-62.9	-41.9	175.5	-172.1	-174.7	69.6	164.9	1.5	112	C80 N85 T86	C80-R82 PolarHBondContact O-N 2.82Å; C80-R82 VanDerWaalsContact O-N 3.12Å; R82-N85 PolarHBondContact O-N 2.92Å; R82-T86 WeakPolarHBondContact O-CB 3.38Å; R82-T86 PolarHBondContact O-N 2.61Å; R82-T86 PolarHBondContact O-OG1 2.83Å
83	D	98.2	Very high	98.1	Very high	34 Å²	34	49.1 Å²	49.1	18%	0.182	27%	0.266	C	S	.	.	H	α-helix	trans	-69.1	-39.5	-177.6	-61.2	-20.8	0	0	0	110.5	L36 L79 C80 G81 T86 L87	L36-D83 HydrophobicContact CD2-CB 4.42Å; L79-D83 HydrophobicContact CB-CB 4.24Å; C80-D83 PolarHBondContact O-N 2.86Å; C80-D83 PolarHBondContact SG-OD2 2.92Å; G81-D83 PolarHBondContact O-N 3.44Å; D83-T86 PolarHBondContact O-N 2.97Å; D83-L87 HydrophobicContact CB-CD1 4.06Å; D83-L87 WeakPolarHBondContact O-CA 3.41Å; D83-L87 WeakPolarHBondContact O-CB 3.42Å; D83-L87 PolarHBondContact O-N 2.63Å
84	W	98.3	Very high	97.9	Very high	9 Å²	9	53 Å²	53	3%	0.034	28%	0.282	C	S	.	.	H	α-helix	trans	-59	-47	170.2	-71.6	121.3	0	0	0	112.3	I32 L51 D76 L79 C80 G81 T86 I88 L123 L125 P126	I32-W84 HydrophobicContact CD1-CH2 3.29Å; I32-W84 HydrophobicContact CD1-CZ2 3.93Å; I32-W84 HydrophobicContact CD1-CZ3 3.89Å; L51-W84 HydrophobicContact CD2-CZ3 4.47Å; D76-W84 PolarHBondContact O-NE1 3.44Å; L79-W84 HydrophobicContact CB-CD2 4.32Å; L79-W84 HydrophobicContact CB-CG 4.44Å; L79-W84 HydrophobicContact CB-CZ2 4.26Å; L79-W84 HydrophobicContact CD1-CD2 4.06Å; L79-W84 HydrophobicContact CD1-CE3 4.15Å; L79-W84 HydrophobicContact CD1-CH2 4.15Å; L79-W84 HydrophobicContact CD1-CZ2 4.02Å; L79-W84 HydrophobicContact CD1-CZ3 4.21Å; L79-W84 HydrophobicContact CG-CZ2 4.25Å; C80-W84 PolarHBondContact O-N 3.22Å; G81-W84 PolarHBondContact O-N 3.43Å; W84-T86 VanDerWaalsContact C-N 3.27Å; W84-T86 PolarHBondContact O-N 2.89Å; W84-I88 HydrophobicContact CE3-CB 3.92Å; W84-I88 HydrophobicContact CE3-CG1 3.71Å; W84-I88 HydrophobicContact CE3-CG2 3.99Å; W84-I88 HydrophobicContact CZ3-CB 4.29Å; W84-I88 HydrophobicContact CZ3-CG1 4.02Å; W84-I88 HydrophobicContact CZ3-CG2 3.9Å; W84-L123 WeakPolarHBondContact CB-O 3.4Å; W84-L123 HydrophobicContact CD2-CB 4.45Å; W84-L123 HydrophobicContact CD2-CD1 4.34Å; W84-L123 HydrophobicContact CD2-CD2 4.21Å; W84-L123 HydrophobicContact CE3-CD1 4.02Å; W84-L123 HydrophobicContact CH2-CD1 4.03Å; W84-L123 HydrophobicContact CZ2-CD1 4.37Å; W84-L123 HydrophobicContact CZ2-CD2 4.18Å; W84-L123 HydrophobicContact CZ3-CD1 3.85Å; W84-L125 HydrophobicContact CB-CD2 4.18Å; W84-L125 HydrophobicContact CD2-CD2 4.42Å; W84-L125 HydrophobicContact CE3-CD2 3.66Å; W84-L125 HydrophobicContact CZ3-CD2 4.43Å; W84-L125 WeakPolarHBondContact O-CD2 3.47Å; W84-P126 VanDerWaalsContact O-CD 3.31Å; W84-P126 WeakPolarHBondContact O-CD 3.32Å
85	N	97.2	Very high	97.9	Very high	82 Å²	82	52.1 Å²	52.1	44%	0.439	28%	0.278	S	S	.	.	H	α-helix	trans	-72.3	-16	-174.9	-67.7	14.7	0	0	0	114.1	G81 R82 L123 G124 P126	G81-N85 WeakPolarHBondContact O-CB 3.3Å; G81-N85 PolarHBondContact O-N 2.78Å; G81-N85 PolarHBondContact O-OD1 2.77Å; R82-N85 PolarHBondContact O-N 2.92Å; N85-L123 PolarHBondContact OD1-O 2.99Å; N85-G124 PolarHBondContact OD1-O 3.36Å; N85-G124 VanDerWaalsContact OD1-O 3.07Å; N85-P126 WeakPolarHBondContact O-CD 3.5Å; N85-P126 WeakPolarHBondContact O-CG 3.43Å
86	T	96.9	Very high	97.9	Very high	81 Å²	81	49.9 Å²	49.9	50%	0.497	26%	0.262	S	S	.	.	H	α-helix	trans	-129	-27.9	-171.4	60.1	0	0	0	0	114.9	R82 D83 W84	R82-T86 WeakPolarHBondContact O-CB 3.38Å; R82-T86 PolarHBondContact O-N 2.61Å; R82-T86 PolarHBondContact O-OG1 2.83Å; D83-T86 PolarHBondContact O-N 2.97Å; W84-T86 VanDerWaalsContact C-N 3.27Å; W84-T86 PolarHBondContact O-N 2.89Å
87	L	98.3	Very high	97.8	Very high	51 Å²	51	51 Å²	51	27%	0.267	27%	0.269	S	S	.	.	H	α-helix	trans	-113.4	-11.1	-169.8	-50.7	179.5	0	0	0	113.5	L36 D45 F46 L47 D83	L36-L87 HydrophobicContact CD1-CB 4.11Å; L36-L87 HydrophobicContact CD2-CB 4.48Å; L36-L87 HydrophobicContact CD2-CD1 4.11Å; D45-L87 WeakPolarHBondContact O-CD2 3.43Å; F46-L87 CarbonylContact C-O 3.56Å; F46-L87 VanDerWaalsContact CA-O 3.28Å; F46-L87 WeakPolarHBondContact CA-O 3.24Å; F46-L87 WeakPolarHBondContact CB-O 3.39Å; L47-L87 PolarHBondContact N-O 3.34Å; D83-L87 HydrophobicContact CB-CD1 4.06Å; D83-L87 WeakPolarHBondContact O-CA 3.41Å; D83-L87 WeakPolarHBondContact O-CB 3.42Å; D83-L87 PolarHBondContact O-N 2.63Å
88	I	98.8	Very high	97.8	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	128.7	-175	-55.1	-60.7	0	0	0	111.6	L36 L47 M49 L79 W84 L125 P126	L36-I88 HydrophobicContact CD1-CD1 4.06Å; L36-I88 HydrophobicContact CD2-CD1 4.36Å; L47-I88 HydrophobicContact CB-CD1 4.16Å; L47-I88 HydrophobicContact CD2-CD1 4.26Å; L47-I88 HydrophobicContact CG-CD1 4.45Å; L47-I88 WeakPolarHBondContact O-CA 3.5Å; M49-I88 HydrophobicContact CG-CG2 4.11Å; M49-I88 HydrophobicContact SD-CD1 4.31Å; L79-I88 HydrophobicContact CD1-CD1 4.13Å; L79-I88 HydrophobicContact CD1-CG1 3.99Å; W84-I88 HydrophobicContact CE3-CB 3.92Å; W84-I88 HydrophobicContact CE3-CG1 3.71Å; W84-I88 HydrophobicContact CE3-CG2 3.99Å; W84-I88 HydrophobicContact CZ3-CB 4.29Å; W84-I88 HydrophobicContact CZ3-CG1 4.02Å; W84-I88 HydrophobicContact CZ3-CG2 3.9Å; I88-L125 HydrophobicContact CB-CD2 4.12Å; I88-L125 HydrophobicContact CG2-CD2 4.12Å; I88-P126 WeakPolarHBondContact O-CD 3.37Å
89	V	98.8	Very high	97.8	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.024	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	118.7	164.8	176.7	0	0	0	0	107.8	F46 L47 C48 M49 V127 M129 W158	F46-V89 HydrophobicContact CD2-CG2 3.6Å; F46-V89 HydrophobicContact CE2-CG2 3.89Å; L47-V89 PolarHBondContact O-N 3.06Å; C48-V89 CarbonylContact C-O 3.51Å; C48-V89 VanDerWaalsContact CA-O 3.29Å; C48-V89 WeakPolarHBondContact CA-O 3.34Å; C48-V89 HydrophobicContact CB-CB 4.17Å; C48-V89 HydrophobicContact CB-CG1 4.41Å; M49-V89 PolarHBondContact N-O 2.83Å; V89-V127 HydrophobicContact CG1-CB 4.03Å; V89-V127 HydrophobicContact CG1-CG1 3.84Å; V89-V127 HydrophobicContact CG2-CB 4.14Å; V89-M129 HydrophobicContact CG1-CB 4.26Å; V89-W158 HydrophobicContact CG1-CE3 4.3Å; V89-W158 HydrophobicContact CG1-CZ3 4.3Å; V89-W158 HydrophobicContact CG2-CH2 4.47Å; V89-W158 HydrophobicContact CG2-CZ3 4.14Å
90	G	98.6	Very high	97.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	153.2	177.8	0	0	0	0	0	111.5	V127 F128 M129	G90-V127 PolarHBondContact N-O 2.92Å; G90-F128 CarbonylContact O-C 3.6Å; G90-M129 PolarHBondContact O-N 3.3Å
91	K	98.6	Very high	97.7	Very high	15 Å²	15	47.5 Å²	47.5	7%	0.065	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	138.1	176.2	-62.2	176.3	65.3	-179	0	111.2	D25 N27 C48 M49 M129	D25-K91 VanDerWaalsContact OD1-CD 3.31Å; D25-K91 WeakPolarHBondContact OD1-CD 3.42Å; D25-K91 VanDerWaalsContact OD1-CE 3.27Å; D25-K91 WeakPolarHBondContact OD1-CE 3.37Å; D25-K91 IonicContact OD1-NZ 2.95Å; D25-K91 PolarHBondContact OD1-NZ 3.04Å; D25-K91 IonicContact OD2-NZ 2.72Å; N27-K91 PolarHBondContact OD1-NZ 2.91Å; C48-K91 HydrophobicContact CB-CD 4.1Å; C48-K91 HydrophobicContact CB-CG 4.34Å; M49-K91 PolarHBondContact O-N 3.48Å; K91-M129 HydrophobicContact CG-CB 4.43Å
92	L	98.6	Very high	97.7	Very high	16 Å²	16	50.5 Å²	50.5	8%	0.084	25%	0.246	C	C	.	.			trans	-63.7	134.8	170.3	-171.8	62.6	0	0	0	111	Q94 V96 L113 E116 F128 M129 I130	L92-Q94 PolarHBondContact O-N 3.02Å; L92-V96 HydrophobicContact CD1-CB 4.19Å; L92-V96 HydrophobicContact CD1-CG1 4.16Å; L92-V96 HydrophobicContact CD1-CG2 4.14Å; L92-V96 HydrophobicContact CD2-CB 4.26Å; L92-V96 HydrophobicContact CD2-CG1 4.16Å; L92-V96 HydrophobicContact CG-CB 4.15Å; L92-V96 HydrophobicContact CG-CG1 4.39Å; L92-V96 HydrophobicContact CG-CG2 4.46Å; L92-L113 HydrophobicContact CD1-CD1 3.56Å; L92-L113 HydrophobicContact CD2-CD1 4.08Å; L92-L113 HydrophobicContact CG-CD1 4.49Å; L92-E116 WeakPolarHBondContact CA-OE2 3.36Å; L92-F128 HydrophobicContact CB-CE1 3.94Å; L92-F128 HydrophobicContact CB-CZ 4.22Å; L92-F128 HydrophobicContact CD1-CE1 4.29Å; L92-F128 HydrophobicContact CD1-CZ 4.43Å; L92-M129 PolarHBondContact N-O 2.97Å; L92-I130 HydrophobicContact CD2-CG2 4.01Å
93	S	98.3	Very high	97.6	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.021	24%	0.235	C	C	.	.			trans	-57.1	135.1	172.6	-73.1	0	0	0	0	112.1	W95 V96 E116	S93-W95 VanDerWaalsContact C-N 3.26Å; S93-W95 PolarHBondContact O-N 2.95Å; S93-W95 VanDerWaalsContact O-N 3.17Å; S93-V96 WeakPolarHBondContact O-CB 3.36Å; S93-V96 PolarHBondContact O-N 3.4Å; S93-V96 VanDerWaalsContact O-N 3.12Å; S93-E116 WeakPolarHBondContact CB-OE1 3.43Å; S93-E116 PolarHBondContact N-OE2 2.84Å; S93-E116 PolarHBondContact OG-OE1 2.83Å
94	Q	94.9	Very high	97.5	Very high	115 Å²	115	48 Å²	48	54%	0.537	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-26.8	-172.3	-68	-179.2	-15.4	0	0	114.7	N27 L92 V96 K133	N27-Q94 PolarHBondContact ND2-NE2 3.29Å; L92-Q94 PolarHBondContact O-N 3.02Å; Q94-V96 VanDerWaalsContact C-N 3.3Å; Q94-K133 PolarHBondContact O-NZ 2.87Å
95	W	97	Very high	97.4	Very high	43 Å²	43	51 Å²	51	16%	0.163	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-11.5	-179.4	63.8	-96.5	0	0	0	113.6	K57 R58 S93 D97 A112	K57-W95 HydrophobicContact CB-CD2 4.26Å; K57-W95 HydrophobicContact CB-CG 4.49Å; K57-W95 HydrophobicContact CD-CD2 4.46Å; K57-W95 HydrophobicContact CD-CE3 4.23Å; K57-W95 HydrophobicContact CG-CD2 3.81Å; K57-W95 HydrophobicContact CG-CE3 3.72Å; K57-W95 HydrophobicContact CG-CG 4.33Å; K57-W95 HydrophobicContact CG-CH2 4.18Å; K57-W95 HydrophobicContact CG-CZ2 4.3Å; K57-W95 HydrophobicContact CG-CZ3 3.93Å; R58-W95 HydrophobicContact CB-CH2 4.19Å; R58-W95 HydrophobicContact CB-CZ2 4.2Å; R58-W95 HydrophobicContact CG-CZ2 4.4Å; S93-W95 VanDerWaalsContact C-N 3.26Å; S93-W95 PolarHBondContact O-N 2.95Å; S93-W95 VanDerWaalsContact O-N 3.17Å; W95-D97 PolarHBondContact O-N 3.43Å; W95-A112 HydrophobicContact CH2-CB 3.34Å; W95-A112 HydrophobicContact CZ2-CB 3.91Å; W95-A112 HydrophobicContact CZ3-CB 3.98Å
96	V	97.6	Very high	97.5	Very high	7 Å²	7	50.7 Å²	50.7	4%	0.042	25%	0.253	C	S	.	.			trans	-69.6	123.5	178.3	177.8	0	0	0	0	108.5	L92 S93 Q94 A112 L113 K133	L92-V96 HydrophobicContact CD1-CB 4.19Å; L92-V96 HydrophobicContact CD1-CG1 4.16Å; L92-V96 HydrophobicContact CD1-CG2 4.14Å; L92-V96 HydrophobicContact CD2-CB 4.26Å; L92-V96 HydrophobicContact CD2-CG1 4.16Å; L92-V96 HydrophobicContact CG-CB 4.15Å; L92-V96 HydrophobicContact CG-CG1 4.39Å; L92-V96 HydrophobicContact CG-CG2 4.46Å; S93-V96 WeakPolarHBondContact O-CB 3.36Å; S93-V96 PolarHBondContact O-N 3.4Å; S93-V96 VanDerWaalsContact O-N 3.12Å; Q94-V96 VanDerWaalsContact C-N 3.3Å; V96-A112 HydrophobicContact CG2-CB 4.06Å; V96-L113 HydrophobicContact CG1-CB 4.08Å; V96-K133 PolarHBondContact O-NZ 2.88Å; V96-K133 VanDerWaalsContact O-NZ 3.12Å
97	D	97.3	Very high	97.5	Very high	71 Å²	71	51.8 Å²	51.8	38%	0.38	25%	0.248	S	C	.	.			trans	-138.7	88.4	174.7	-176	8	0	0	0	109.1	W95 D99 S100 S109	W95-D97 PolarHBondContact O-N 3.43Å; D97-D99 PolarHBondContact O-N 3.32Å; D97-D99 PolarHBondContact OD1-N 2.91Å; D97-S100 PolarHBondContact O-N 3.17Å; D97-S100 PolarHBondContact OD1-N 3.22Å; D97-S109 PolarHBondContact N-OG 2.91Å; D97-S109 WeakPolarHBondContact O-CB 3.29Å; D97-S109 PolarHBondContact O-OG 3.36Å
98	A	97.3	Very high	97.5	Very high	3 Å²	3	49.8 Å²	49.8	3%	0.025	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-10.4	-178.8	0	0	0	0	0	112.5	R106 L113 N139 L140	A98-R106 VanDerWaalsContact O-CG 3.31Å; A98-R106 WeakPolarHBondContact O-CG 3.28Å; A98-L113 HydrophobicContact CB-CD2 4.29Å; A98-N139 VanDerWaalsContact O-CB 3.29Å; A98-N139 WeakPolarHBondContact O-CB 3.43Å; A98-N139 PolarHBondContact O-ND2 2.93Å; A98-L140 HydrophobicContact CB-CB 4.31Å
99	D	97.8	Very high	97.5	Very high	38 Å²	38	49.9 Å²	49.9	20%	0.203	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.6	10.9	-177.9	-71.9	-92.4	0	0	0	112.1	D97 E101 N136 N137 A138 N139 L140	D97-D99 PolarHBondContact O-N 3.32Å; D97-D99 PolarHBondContact OD1-N 2.91Å; D99-E101 PolarHBondContact O-N 2.86Å; D99-N136 WeakPolarHBondContact CB-O 3.43Å; D99-N137 WeakPolarHBondContact OD2-CA 3.42Å; D99-A138 PolarHBondContact OD1-N 2.86Å; D99-N139 PolarHBondContact OD1-N 2.84Å; D99-L140 WeakPolarHBondContact OD2-CB 3.21Å; D99-L140 PolarHBondContact OD2-N 3.5Å
100	S	97.2	Very high	97.5	Very high	11 Å²	11	52 Å²	52	8%	0.077	25%	0.248	C	C	.	.			trans	-55.1	137.8	176.6	-178.9	0	0	0	0	112.2	D97 L102 R106	D97-S100 PolarHBondContact O-N 3.17Å; D97-S100 PolarHBondContact OD1-N 3.22Å; S100-L102 PolarHBondContact O-N 3.34Å; S100-L102 PolarHBondContact OG-N 2.8Å; S100-R106 PolarHBondContact O-NH1 2.89Å; S100-R106 VanDerWaalsContact O-NH1 3.1Å
101	E	96.8	Very high	97.5	Very high	183 Å²	183	54 Å²	54	86%	0.855	27%	0.265	S	S	*	.	S	Bend	trans	-67.7	-29	173.3	-62.1	-171.6	164.8	0	0	111.4	D99 E103	D99-E101 PolarHBondContact O-N 2.86Å; E101-E103 PolarHBondContact O-N 2.98Å
102	L	97.1	Very high	97.5	Very high	110 Å²	110	53.5 Å²	53.5	58%	0.576	26%	0.263	S	S	*	.	S	Bend	trans	-74.5	109.7	176	-64.6	-179.8	0	0	0	109.9	S100 T104 E105 R106	S100-L102 PolarHBondContact O-N 3.34Å; S100-L102 PolarHBondContact OG-N 2.8Å; L102-T104 VanDerWaalsContact C-N 3.31Å; L102-T104 PolarHBondContact O-N 3.02Å; L102-E105 HydrophobicContact CB-CB 4.1Å; L102-E105 HydrophobicContact CB-CG 3.97Å; L102-E105 HydrophobicContact CD1-CG 4.17Å; L102-E105 PolarHBondContact O-N 3.24Å; L102-R106 PolarHBondContact O-N 3.36Å
103	E	97	Very high	97.4	Very high	96 Å²	96	52.7 Å²	52.7	45%	0.449	26%	0.259	S	S	.	.	H	α-helix	trans	-54.1	-43.5	-174.8	-179	171.6	-163.9	0	0	113.4	E101 E105 R106 R107	E101-E103 PolarHBondContact O-N 2.98Å; E103-E105 VanDerWaalsContact C-N 3.34Å; E103-E105 PolarHBondContact O-N 3.25Å; E103-R106 PolarHBondContact O-N 3.4Å; E103-R107 HydrophobicContact CG-CG 4.32Å; E103-R107 WeakPolarHBondContact O-CG 3.3Å; E103-R107 PolarHBondContact O-N 2.91Å; E103-R107 IonicContact OE1-CZ 3.96Å; E103-R107 IonicContact OE1-NE 3Å; E103-R107 PolarHBondContact OE1-NE 3.09Å; E103-R107 VanDerWaalsContact OE1-NE 3.09Å; E103-R107 IonicContact OE1-NH2 3.87Å; E103-R107 PolarHBondContact OE1-NH2 3.4Å
104	T	96.1	Very high	97.4	Very high	69 Å²	69	54.2 Å²	54.2	42%	0.423	27%	0.272	S	S	.	.	H	α-helix	trans	-64.3	-37.9	178.8	-49.4	0	0	0	0	112.3	L102 N108	L102-T104 VanDerWaalsContact C-N 3.31Å; L102-T104 PolarHBondContact O-N 3.02Å; T104-N108 WeakPolarHBondContact O-CB 3.44Å; T104-N108 PolarHBondContact O-N 3.48Å; T104-N108 PolarHBondContact O-ND2 3.16Å
105	E	96.3	Very high	97.6	Very high	73 Å²	73	52 Å²	52	34%	0.341	26%	0.262	S	S	.	.	H	α-helix	trans	-72.1	-40.4	176.4	-63.1	-150.6	122.9	0	0	111.6	K57 L102 E103 S109	K57-E105 IonicContact NZ-OE1 3.09Å; K57-E105 PolarHBondContact NZ-OE1 3.24Å; L102-E105 HydrophobicContact CB-CB 4.1Å; L102-E105 HydrophobicContact CB-CG 3.97Å; L102-E105 HydrophobicContact CD1-CG 4.17Å; L102-E105 PolarHBondContact O-N 3.24Å; E103-E105 VanDerWaalsContact C-N 3.34Å; E103-E105 PolarHBondContact O-N 3.25Å; E105-S109 VanDerWaalsContact O-CB 3.23Å; E105-S109 WeakPolarHBondContact O-CB 3.17Å; E105-S109 PolarHBondContact O-N 3.11Å; E105-S109 PolarHBondContact O-OG 3.36Å
106	R	97.7	Very high	97.7	Very high	74 Å²	74	50 Å²	50	28%	0.279	25%	0.254	S	S	.	.	H	α-helix	trans	-57.9	-56.6	175.5	-176.5	169.8	66.5	-122	1.2	110.7	A98 S100 L102 E103 N108 S109 E110	A98-R106 VanDerWaalsContact O-CG 3.31Å; A98-R106 WeakPolarHBondContact O-CG 3.28Å; S100-R106 PolarHBondContact O-NH1 2.89Å; S100-R106 VanDerWaalsContact O-NH1 3.1Å; L102-R106 PolarHBondContact O-N 3.36Å; E103-R106 PolarHBondContact O-N 3.4Å; R106-N108 VanDerWaalsContact C-N 3.35Å; R106-N108 PolarHBondContact O-N 2.95Å; R106-S109 CarbonylContact O-C 3.53Å; R106-S109 WeakPolarHBondContact O-CA 3.42Å; R106-S109 WeakPolarHBondContact O-CB 3.4Å; R106-S109 PolarHBondContact O-N 3.16Å; R106-E110 HydrophobicContact CG-CG 4.41Å; R106-E110 VanDerWaalsContact O-CG 3.31Å; R106-E110 WeakPolarHBondContact O-CG 3.43Å; R106-E110 PolarHBondContact O-N 2.85Å
107	R	98.1	Very high	97.7	Very high	104 Å²	104	49.7 Å²	49.7	39%	0.392	25%	0.252	S	S	.	.	H	α-helix	trans	-60.7	-40.7	-178.3	-68.1	-173.2	-175.8	-167.6	0	113	E61 E103 S109 E110 A111	E61-R107 WeakPolarHBondContact OE1-CD 3.49Å; E61-R107 IonicContact OE1-CZ 3.42Å; E61-R107 IonicContact OE1-NE 3.97Å; E61-R107 IonicContact OE1-NH1 3.97Å; E61-R107 PolarHBondContact OE1-NH1 2.81Å; E61-R107 IonicContact OE2-NH1 3.89Å; E103-R107 HydrophobicContact CG-CG 4.32Å; E103-R107 WeakPolarHBondContact O-CG 3.3Å; E103-R107 PolarHBondContact O-N 2.91Å; E103-R107 IonicContact OE1-CZ 3.96Å; E103-R107 IonicContact OE1-NE 3Å; E103-R107 PolarHBondContact OE1-NE 3.09Å; E103-R107 VanDerWaalsContact OE1-NE 3.09Å; E103-R107 IonicContact OE1-NH2 3.87Å; E103-R107 PolarHBondContact OE1-NH2 3.4Å; R107-S109 VanDerWaalsContact C-N 3.35Å; R107-E110 WeakPolarHBondContact O-CB 3.38Å; R107-E110 PolarHBondContact O-N 3.37Å; R107-A111 PolarHBondContact O-N 3.42Å
108	N	98	Very high	97.7	Very high	10 Å²	10	50.8 Å²	50.8	5%	0.053	26%	0.258	C	S	.	.	H	α-helix	trans	-64.5	-39.3	173.6	-83.6	-44.6	0	0	0	112.6	E59 S60 T104 R106 A111 A112	E59-N108 PolarHBondContact OE1-ND2 2.78Å; E59-N108 VanDerWaalsContact OE1-ND2 3.16Å; E59-N108 PolarHBondContact OE1-OD1 3.16Å; E59-N108 VanDerWaalsContact OE1-OD1 3.07Å; E59-N108 PolarHBondContact OE2-ND2 2.95Å; S60-N108 WeakPolarHBondContact CB-OD1 3.4Å; S60-N108 PolarHBondContact N-OD1 2.83Å; S60-N108 PolarHBondContact OG-OD1 2.83Å; T104-N108 WeakPolarHBondContact O-CB 3.44Å; T104-N108 PolarHBondContact O-N 3.48Å; T104-N108 PolarHBondContact O-ND2 3.16Å; R106-N108 VanDerWaalsContact C-N 3.35Å; R106-N108 PolarHBondContact O-N 2.95Å; N108-A111 PolarHBondContact O-N 3.28Å; N108-A112 VanDerWaalsContact O-CB 3.28Å; N108-A112 WeakPolarHBondContact O-CB 3.45Å; N108-A112 PolarHBondContact O-N 3.19Å
109	S	98.3	Very high	97.8	Very high	3 Å²	3	52.5 Å²	52.5	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-67.1	-37.8	175	-65.2	0	0	0	0	112	D97 E105 R106 R107 A112 L113	D97-S109 PolarHBondContact N-OG 2.91Å; D97-S109 WeakPolarHBondContact O-CB 3.29Å; D97-S109 PolarHBondContact O-OG 3.36Å; E105-S109 VanDerWaalsContact O-CB 3.23Å; E105-S109 WeakPolarHBondContact O-CB 3.17Å; E105-S109 PolarHBondContact O-N 3.11Å; E105-S109 PolarHBondContact O-OG 3.36Å; R106-S109 CarbonylContact O-C 3.53Å; R106-S109 WeakPolarHBondContact O-CA 3.42Å; R106-S109 WeakPolarHBondContact O-CB 3.4Å; R106-S109 PolarHBondContact O-N 3.16Å; R107-S109 VanDerWaalsContact C-N 3.35Å; S109-A112 PolarHBondContact O-N 3.41Å; S109-L113 WeakPolarHBondContact O-CB 3.37Å; S109-L113 PolarHBondContact O-N 3.34Å
110	E	98.6	Very high	97.8	Very high	48 Å²	48	50.7 Å²	50.7	22%	0.224	26%	0.255	C	S	.	.	H	α-helix	trans	-59.9	-50.6	173.5	-67.2	178.3	-171.7	0	0	110.8	R106 R107 A112 L113 A114 N139 M143	R106-E110 HydrophobicContact CG-CG 4.41Å; R106-E110 VanDerWaalsContact O-CG 3.31Å; R106-E110 WeakPolarHBondContact O-CG 3.43Å; R106-E110 PolarHBondContact O-N 2.85Å; R107-E110 WeakPolarHBondContact O-CB 3.38Å; R107-E110 PolarHBondContact O-N 3.37Å; E110-A112 VanDerWaalsContact C-N 3.34Å; E110-A112 PolarHBondContact O-N 2.52Å; E110-L113 PolarHBondContact O-N 3.09Å; E110-A114 WeakPolarHBondContact O-CB 3.3Å; E110-A114 PolarHBondContact O-N 3.01Å; E110-N139 PolarHBondContact OE1-ND2 3.36Å; E110-M143 WeakPolarHBondContact CA-SD 3.23Å; E110-M143 HydrophobicContact CB-CE 3.87Å; E110-M143 HydrophobicContact CB-SD 3.47Å; E110-M143 WeakPolarHBondContact CB-SD 3.29Å; E110-M143 HydrophobicContact CG-CE 4.49Å; E110-M143 HydrophobicContact CG-SD 3.47Å; E110-M143 WeakPolarHBondContact CG-SD 3.34Å; E110-M143 WeakPolarHBondContact O-CE 3.45Å
111	A	98.3	Very high	97.8	Very high	43 Å²	43	51.4 Å²	51.4	36%	0.355	26%	0.262	S	S	.	.	H	α-helix	trans	-60.8	-42.7	177.7	0	0	0	0	0	112.1	R107 N108 Q115	R107-A111 PolarHBondContact O-N 3.42Å; N108-A111 PolarHBondContact O-N 3.28Å; A111-Q115 WeakPolarHBondContact O-CB 3.49Å; A111-Q115 PolarHBondContact O-N 3.31Å
112	A	98.5	Very high	97.8	Very high	3 Å²	3	49.6 Å²	49.6	3%	0.025	25%	0.248	C	C	.	.	H	α-helix	trans	-67.2	-42.2	178.3	0	0	0	0	0	112.8	W95 V96 N108 S109 E110 Q115 E116	W95-A112 HydrophobicContact CH2-CB 3.34Å; W95-A112 HydrophobicContact CZ2-CB 3.91Å; W95-A112 HydrophobicContact CZ3-CB 3.98Å; V96-A112 HydrophobicContact CG2-CB 4.06Å; N108-A112 VanDerWaalsContact O-CB 3.28Å; N108-A112 WeakPolarHBondContact O-CB 3.45Å; N108-A112 PolarHBondContact O-N 3.19Å; S109-A112 PolarHBondContact O-N 3.41Å; E110-A112 VanDerWaalsContact C-N 3.34Å; E110-A112 PolarHBondContact O-N 2.52Å; A112-Q115 PolarHBondContact O-N 3.48Å; A112-E116 WeakPolarHBondContact O-CG 3.32Å; A112-E116 PolarHBondContact O-N 2.84Å
113	L	98.4	Very high	97.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-61	-49.4	175.9	176	61.1	0	0	0	110.6	L92 V96 A98 S109 E110 Q115 E116 L117 L140 M143	L92-L113 HydrophobicContact CD1-CD1 3.56Å; L92-L113 HydrophobicContact CD2-CD1 4.08Å; L92-L113 HydrophobicContact CG-CD1 4.49Å; V96-L113 HydrophobicContact CG1-CB 4.08Å; A98-L113 HydrophobicContact CB-CD2 4.29Å; S109-L113 WeakPolarHBondContact O-CB 3.37Å; S109-L113 PolarHBondContact O-N 3.34Å; E110-L113 PolarHBondContact O-N 3.09Å; L113-Q115 VanDerWaalsContact C-N 3.3Å; L113-Q115 PolarHBondContact O-N 2.84Å; L113-E116 PolarHBondContact O-N 2.99Å; L113-L117 HydrophobicContact CD1-CD1 3.75Å; L113-L117 HydrophobicContact CD1-CG 3.92Å; L113-L117 HydrophobicContact CG-CD1 3.82Å; L113-L117 HydrophobicContact CG-CG 4.38Å; L113-L117 WeakPolarHBondContact O-CB 3.46Å; L113-L117 VanDerWaalsContact O-CG 3.24Å; L113-L117 WeakPolarHBondContact O-CG 3.16Å; L113-L117 PolarHBondContact O-N 2.9Å; L113-L140 HydrophobicContact CD1-CD1 4.22Å; L113-L140 HydrophobicContact CD2-CD1 3.58Å; L113-M143 HydrophobicContact CD2-CB 3.68Å; L113-M143 HydrophobicContact CD2-CE 4.44Å; L113-M143 HydrophobicContact CD2-CG 4.37Å; L113-M143 HydrophobicContact CD2-SD 3.93Å
114	A	98.1	Very high	97.8	Very high	35 Å²	35	41.8 Å²	41.8	29%	0.289	22%	0.217	S	C	.	.	H	α-helix	trans	-58.8	-42.7	176.8	0	0	0	0	0	111.6	E110 N118 M143	E110-A114 WeakPolarHBondContact O-CB 3.3Å; E110-A114 PolarHBondContact O-N 3.01Å; A114-N118 VanDerWaalsContact O-CB 3.26Å; A114-N118 WeakPolarHBondContact O-CB 3.34Å; A114-N118 PolarHBondContact O-N 2.89Å; A114-N118 PolarHBondContact O-ND2 3.32Å; A114-N118 VanDerWaalsContact O-ND2 3.15Å; A114-M143 HydrophobicContact CB-CE 4.02Å
115	Q	98.3	Very high	97.9	Very high	68 Å²	68	38.5 Å²	38.5	32%	0.318	20%	0.197	S	C	.	.	H	α-helix	trans	-61.8	-47.9	176.9	-178	-177	47	0	0	112.2	F52 A111 A112 L113 N118 F119	F52-Q115 HydrophobicContact CE1-CG 4.38Å; F52-Q115 HydrophobicContact CZ-CG 3.94Å; A111-Q115 WeakPolarHBondContact O-CB 3.49Å; A111-Q115 PolarHBondContact O-N 3.31Å; A112-Q115 PolarHBondContact O-N 3.48Å; L113-Q115 VanDerWaalsContact C-N 3.3Å; L113-Q115 PolarHBondContact O-N 2.84Å; Q115-N118 PolarHBondContact O-N 2.81Å; Q115-F119 WeakPolarHBondContact O-CB 3.15Å; Q115-F119 PolarHBondContact O-N 3.22Å
116	E	98.6	Very high	98	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-67.8	-40.6	-178.2	-69.6	-167.2	-167.1	0	0	112.2	F52 R58 L92 S93 A112 L113 F119 S120 F128	F52-E116 HydrophobicContact CD2-CB 4.49Å; F52-E116 HydrophobicContact CD2-CG 3.56Å; F52-E116 HydrophobicContact CE2-CG 3.87Å; F52-E116 HydrophobicContact CG-CG 4.22Å; R58-E116 IonicContact CZ-OE1 3.19Å; R58-E116 IonicContact NH1-OE1 2.66Å; R58-E116 IonicContact NH2-OE1 2.87Å; R58-E116 PolarHBondContact NH2-OE1 3.25Å; L92-E116 WeakPolarHBondContact CA-OE2 3.36Å; S93-E116 WeakPolarHBondContact CB-OE1 3.43Å; S93-E116 PolarHBondContact N-OE2 2.84Å; S93-E116 PolarHBondContact OG-OE1 2.83Å; A112-E116 WeakPolarHBondContact O-CG 3.32Å; A112-E116 PolarHBondContact O-N 2.84Å; L113-E116 PolarHBondContact O-N 2.99Å; E116-F119 PolarHBondContact O-N 3.23Å; E116-S120 WeakPolarHBondContact O-CB 3.17Å; E116-S120 PolarHBondContact O-N 3.34Å; E116-F128 HydrophobicContact CB-CZ 4.08Å
117	L	98.1	Very high	98	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-62.4	-47.9	174.6	-72.2	175.2	0	0	0	111.4	L113 F119 S120 A121 F128 I130 L144 H147 F157	L113-L117 HydrophobicContact CD1-CD1 3.75Å; L113-L117 HydrophobicContact CD1-CG 3.92Å; L113-L117 HydrophobicContact CG-CD1 3.82Å; L113-L117 HydrophobicContact CG-CG 4.38Å; L113-L117 WeakPolarHBondContact O-CB 3.46Å; L113-L117 VanDerWaalsContact O-CG 3.24Å; L113-L117 WeakPolarHBondContact O-CG 3.16Å; L113-L117 PolarHBondContact O-N 2.9Å; L117-F119 VanDerWaalsContact C-N 3.31Å; L117-F119 PolarHBondContact O-N 3.48Å; L117-S120 WeakPolarHBondContact O-CB 3.43Å; L117-S120 PolarHBondContact O-N 2.8Å; L117-S120 VanDerWaalsContact O-N 3.16Å; L117-S120 PolarHBondContact O-OG 2.9Å; L117-A121 PolarHBondContact O-N 2.86Å; L117-F128 HydrophobicContact CD2-CD1 3.81Å; L117-F128 HydrophobicContact CD2-CE1 3.97Å; L117-F128 HydrophobicContact CD2-CG 4.49Å; L117-I130 HydrophobicContact CD2-CD1 4.39Å; L117-L144 HydrophobicContact CD1-CD1 4.43Å; L117-L144 HydrophobicContact CD2-CD1 4.21Å; L117-H147 VanDerWaalsContact C-CE1 3.46Å; L117-H147 HydrophobicContact CD1-CB 3.94Å; L117-H147 PolarHBondContact O-CE1 2.76Å; L117-F157 HydrophobicContact CD2-CD1 4.33Å; L117-F157 HydrophobicContact CD2-CE1 3.69Å
118	N	97.9	Very high	98	Very high	94 Å²	94	29.3 Å²	29.3	50%	0.503	17%	0.166	S	C	.	.	H	α-helix	trans	-63	-38.1	177.8	-70.8	-19.8	0	0	0	112.1	A114 Q115 A121 Y122 H147	A114-N118 VanDerWaalsContact O-CB 3.26Å; A114-N118 WeakPolarHBondContact O-CB 3.34Å; A114-N118 PolarHBondContact O-N 2.89Å; A114-N118 PolarHBondContact O-ND2 3.32Å; A114-N118 VanDerWaalsContact O-ND2 3.15Å; Q115-N118 PolarHBondContact O-N 2.81Å; N118-A121 PolarHBondContact O-N 3.21Å; N118-Y122 WeakPolarHBondContact O-CB 3.24Å; N118-Y122 PolarHBondContact O-N 2.9Å; N118-H147 PolarHBondContact OD1-ND1 3.17Å
119	F	98.3	Very high	98.1	Very high	39 Å²	39	29 Å²	29	17%	0.171	17%	0.165	C	C	.	.	H	α-helix	trans	-68.8	-36	175.5	-165.5	-117.4	0	0	0	112	L51 F52 T73 Q115 E116 L117 A121 Y122 L123	L51-F119 HydrophobicContact CB-CD1 4.21Å; L51-F119 HydrophobicContact CD1-CD1 4.35Å; F52-F119 HydrophobicContact CE2-CB 3.95Å; F52-F119 AromaticContact CE2-CD1 3.75Å; F52-F119 HydrophobicContact CE2-CD1 3.75Å; F52-F119 HydrophobicContact CE2-CG 4.05Å; F52-F119 HydrophobicContact CZ-CB 4.31Å; F52-F119 HydrophobicContact CZ-CD1 4.26Å; F52-F119 HydrophobicContact CZ-CG 4.29Å; T73-F119 HydrophobicContact CG2-CD1 4.14Å; T73-F119 HydrophobicContact CG2-CE1 3.55Å; T73-F119 HydrophobicContact CG2-CZ 3.77Å; Q115-F119 WeakPolarHBondContact O-CB 3.15Å; Q115-F119 PolarHBondContact O-N 3.22Å; E116-F119 PolarHBondContact O-N 3.23Å; L117-F119 VanDerWaalsContact C-N 3.31Å; L117-F119 PolarHBondContact O-N 3.48Å; F119-A121 VanDerWaalsContact C-N 3.31Å; F119-A121 PolarHBondContact O-N 3.25Å; F119-Y122 AromaticContact CD2-CD1 3.88Å; F119-Y122 HydrophobicContact CD2-CD1 3.88Å; F119-Y122 AromaticContact CE2-CD1 3.72Å; F119-Y122 HydrophobicContact CE2-CD1 3.72Å; F119-Y122 HydrophobicContact CE2-CE1 4.07Å; F119-Y122 WeakPolarHBondContact O-CB 3.17Å; F119-Y122 PolarHBondContact O-N 3.47Å; F119-L123 HydrophobicContact CD1-CD1 3.89Å; F119-L123 HydrophobicContact CD1-CG 4.35Å; F119-L123 HydrophobicContact CE1-CD1 3.61Å; F119-L123 HydrophobicContact CE1-CD2 4.42Å; F119-L123 HydrophobicContact CE1-CG 4.11Å; F119-L123 HydrophobicContact CZ-CD1 4.17Å; F119-L123 HydrophobicContact CZ-CD2 4.14Å; F119-L123 HydrophobicContact CZ-CG 4.23Å; F119-L123 WeakPolarHBondContact O-CG 3.41Å; F119-L123 PolarHBondContact O-N 2.97Å
120	S	97.6	Very high	98.1	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-61.4	-39.5	172.9	82.3	0	0	0	0	112.4	E116 L117 G124 L125 F128	E116-S120 WeakPolarHBondContact O-CB 3.17Å; E116-S120 PolarHBondContact O-N 3.34Å; L117-S120 WeakPolarHBondContact O-CB 3.43Å; L117-S120 PolarHBondContact O-N 2.8Å; L117-S120 VanDerWaalsContact O-N 3.16Å; L117-S120 PolarHBondContact O-OG 2.9Å; S120-G124 PolarHBondContact O-N 3.14Å; S120-L125 PolarHBondContact O-N 3.46Å; S120-F128 VanDerWaalsContact CB-CD2 3.46Å
121	A	97.3	Very high	98	Very high	26 Å²	26	28.6 Å²	28.6	22%	0.215	17%	0.166	C	C	.	.	H	α-helix	trans	-69.2	-41.2	175.4	0	0	0	0	0	111.6	L117 N118 F119 L123 G124 H153	L117-A121 PolarHBondContact O-N 2.86Å; N118-A121 PolarHBondContact O-N 3.21Å; F119-A121 VanDerWaalsContact C-N 3.31Å; F119-A121 PolarHBondContact O-N 3.25Å; A121-L123 VanDerWaalsContact C-N 3.33Å; A121-L123 PolarHBondContact O-N 3.35Å; A121-G124 PolarHBondContact O-N 3.21Å; A121-H153 HydrophobicContact CB-CB 4.11Å
122	Y	97.6	Very high	98	Very high	146 Å²	146	26.9 Å²	26.9	57%	0.573	15%	0.151	S	C	*	.	H	α-helix	trans	-58.5	-42.7	175.2	170	-104.1	0	0	0	112.4	D76 N118 F119 G124	D76-Y122 HydrophobicContact CB-CE1 3.92Å; D76-Y122 PolarHBondContact OD2-OH 2.95Å; N118-Y122 WeakPolarHBondContact O-CB 3.24Å; N118-Y122 PolarHBondContact O-N 2.9Å; F119-Y122 AromaticContact CD2-CD1 3.88Å; F119-Y122 HydrophobicContact CD2-CD1 3.88Å; F119-Y122 AromaticContact CE2-CD1 3.72Å; F119-Y122 HydrophobicContact CE2-CD1 3.72Å; F119-Y122 HydrophobicContact CE2-CE1 4.07Å; F119-Y122 WeakPolarHBondContact O-CB 3.17Å; F119-Y122 PolarHBondContact O-N 3.47Å; Y122-G124 PolarHBondContact O-N 2.75Å
123	L	97.8	Very high	97.6	Very high	10 Å²	10	32.4 Å²	32.4	5%	0.052	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-10	176.6	-67	178.2	0	0	0	113.6	L51 D76 W84 N85 F119 A121 L125	L51-L123 HydrophobicContact CD1-CD1 4.35Å; L51-L123 HydrophobicContact CD2-CD1 4.13Å; D76-L123 HydrophobicContact CB-CD2 3.47Å; D76-L123 VanDerWaalsContact CB-CD2 3.47Å; W84-L123 WeakPolarHBondContact CB-O 3.4Å; W84-L123 HydrophobicContact CD2-CB 4.45Å; W84-L123 HydrophobicContact CD2-CD1 4.34Å; W84-L123 HydrophobicContact CD2-CD2 4.21Å; W84-L123 HydrophobicContact CE3-CD1 4.02Å; W84-L123 HydrophobicContact CH2-CD1 4.03Å; W84-L123 HydrophobicContact CZ2-CD1 4.37Å; W84-L123 HydrophobicContact CZ2-CD2 4.18Å; W84-L123 HydrophobicContact CZ3-CD1 3.85Å; N85-L123 PolarHBondContact OD1-O 2.99Å; F119-L123 HydrophobicContact CD1-CD1 3.89Å; F119-L123 HydrophobicContact CD1-CG 4.35Å; F119-L123 HydrophobicContact CE1-CD1 3.61Å; F119-L123 HydrophobicContact CE1-CD2 4.42Å; F119-L123 HydrophobicContact CE1-CG 4.11Å; F119-L123 HydrophobicContact CZ-CD1 4.17Å; F119-L123 HydrophobicContact CZ-CD2 4.14Å; F119-L123 HydrophobicContact CZ-CG 4.23Å; F119-L123 WeakPolarHBondContact O-CG 3.41Å; F119-L123 PolarHBondContact O-N 2.97Å; A121-L123 VanDerWaalsContact C-N 3.33Å; A121-L123 PolarHBondContact O-N 3.35Å; L123-L125 VanDerWaalsContact C-N 3.35Å; L123-L125 HydrophobicContact CB-CD2 3.85Å; L123-L125 HydrophobicContact CB-CG 3.97Å; L123-L125 HydrophobicContact CD1-CD2 4.42Å
124	G	97.1	Very high	97.3	Very high	31 Å²	31	33 Å²	33	32%	0.32	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	27.6	-178.4	0	0	0	0	0	114.1	N85 S120 A121 Y122	N85-G124 PolarHBondContact OD1-O 3.36Å; N85-G124 VanDerWaalsContact OD1-O 3.07Å; S120-G124 PolarHBondContact O-N 3.14Å; A121-G124 PolarHBondContact O-N 3.21Å; Y122-G124 PolarHBondContact O-N 2.75Å
125	L	97.9	Very high	97	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	19%	0.192	C	C	.	.			trans	-61.8	140.3	-174.8	-57.3	-172.9	0	0	0	111.9	L51 W84 I88 S120 L123 V127 S155	L51-L125 HydrophobicContact CD1-CD1 3.63Å; L51-L125 HydrophobicContact CD2-CD1 3.76Å; L51-L125 HydrophobicContact CG-CD1 4.22Å; W84-L125 HydrophobicContact CB-CD2 4.18Å; W84-L125 HydrophobicContact CD2-CD2 4.42Å; W84-L125 HydrophobicContact CE3-CD2 3.66Å; W84-L125 HydrophobicContact CZ3-CD2 4.43Å; W84-L125 WeakPolarHBondContact O-CD2 3.47Å; I88-L125 HydrophobicContact CB-CD2 4.12Å; I88-L125 HydrophobicContact CG2-CD2 4.12Å; S120-L125 PolarHBondContact O-N 3.46Å; L123-L125 VanDerWaalsContact C-N 3.35Å; L123-L125 HydrophobicContact CB-CD2 3.85Å; L123-L125 HydrophobicContact CB-CG 3.97Å; L123-L125 HydrophobicContact CD1-CD2 4.42Å; L125-V127 VanDerWaalsContact C-N 3.3Å; L125-V127 PolarHBondContact O-N 3.41Å; L125-S155 VanDerWaalsContact O-CB 3.23Å; L125-S155 WeakPolarHBondContact O-CB 3.49Å; L125-S155 PolarHBondContact O-OG 2.76Å
126	P	97.4	Very high	96.8	Very high	45 Å²	45	37.8 Å²	37.8	29%	0.292	21%	0.208	S	C	.	.	S	Bend	trans	-68.4	-33.5	176.5	27.9	-34.2	0	0	0	111.5	W84 N85 I88 N156	W84-P126 VanDerWaalsContact O-CD 3.31Å; W84-P126 WeakPolarHBondContact O-CD 3.32Å; N85-P126 WeakPolarHBondContact O-CD 3.5Å; N85-P126 WeakPolarHBondContact O-CG 3.43Å; I88-P126 WeakPolarHBondContact O-CD 3.37Å; P126-N156 PolarHBondContact O-N 2.64Å
127	V	98.4	Very high	96.7	Very high	12 Å²	12	38.5 Å²	38.5	7%	0.073	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	140.8	-174.8	-178.3	0	0	0	0	111.4	V89 G90 L125 N156 W158	V89-V127 HydrophobicContact CG1-CB 4.03Å; V89-V127 HydrophobicContact CG1-CG1 3.84Å; V89-V127 HydrophobicContact CG2-CB 4.14Å; G90-V127 PolarHBondContact N-O 2.92Å; L125-V127 VanDerWaalsContact C-N 3.3Å; L125-V127 PolarHBondContact O-N 3.41Å; V127-N156 CarbonylContact C-O 3.54Å; V127-N156 VanDerWaalsContact CA-O 3.25Å; V127-N156 WeakPolarHBondContact CA-O 3.38Å; V127-N156 HydrophobicContact CG2-CB 4.42Å; V127-W158 HydrophobicContact CB-CD2 4.48Å; V127-W158 HydrophobicContact CG1-CB 3.92Å; V127-W158 HydrophobicContact CG1-CD2 3.36Å; V127-W158 HydrophobicContact CG1-CE3 3.74Å; V127-W158 HydrophobicContact CG1-CG 3.41Å; V127-W158 VanDerWaalsContact CG1-CG 3.41Å; V127-W158 HydrophobicContact CG1-CZ2 4.24Å; V127-W158 HydrophobicContact CG1-CZ3 4.28Å; V127-W158 HydrophobicContact CG2-CD2 4.48Å; V127-W158 HydrophobicContact CG2-CH2 4.41Å; V127-W158 HydrophobicContact CG2-CZ2 3.91Å
128	F	98.6	Very high	96.7	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	128.4	166.3	-166.3	-96.1	0	0	0	111	L51 G90 L92 E116 L117 S120 I130 N156 F157 W158	L51-F128 HydrophobicContact CD1-CD2 4.09Å; L51-F128 HydrophobicContact CD1-CE2 3.7Å; L51-F128 HydrophobicContact CG-CE2 4.2Å; G90-F128 CarbonylContact O-C 3.6Å; L92-F128 HydrophobicContact CB-CE1 3.94Å; L92-F128 HydrophobicContact CB-CZ 4.22Å; L92-F128 HydrophobicContact CD1-CE1 4.29Å; L92-F128 HydrophobicContact CD1-CZ 4.43Å; E116-F128 HydrophobicContact CB-CZ 4.08Å; L117-F128 HydrophobicContact CD2-CD1 3.81Å; L117-F128 HydrophobicContact CD2-CE1 3.97Å; L117-F128 HydrophobicContact CD2-CG 4.49Å; S120-F128 VanDerWaalsContact CB-CD2 3.46Å; F128-I130 HydrophobicContact CD1-CD1 4.22Å; F128-I130 HydrophobicContact CD1-CG1 3.81Å; F128-I130 HydrophobicContact CE1-CG1 4Å; F128-N156 PolarHBondContact N-O 3.02Å; F128-F157 HydrophobicContact CB-CD1 4Å; F128-F157 HydrophobicContact CB-CE1 4.11Å; F128-F157 CarbonylContact O-C 3.46Å; F128-F157 VanDerWaalsContact O-CA 3.3Å; F128-F157 WeakPolarHBondContact O-CA 3.42Å; F128-W158 PolarHBondContact O-N 3.32Å
129	M	98.8	Very high	96.7	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.025	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	129.9	-175	-173.1	-173.4	-69.9	0	0	111.8	V89 G90 K91 L92 W158 R160 I271	V89-M129 HydrophobicContact CG1-CB 4.26Å; G90-M129 PolarHBondContact O-N 3.3Å; K91-M129 HydrophobicContact CG-CB 4.43Å; L92-M129 PolarHBondContact N-O 2.97Å; M129-W158 CarbonylContact C-O 3.59Å; M129-W158 VanDerWaalsContact CA-O 3.28Å; M129-W158 WeakPolarHBondContact CA-O 3.21Å; M129-W158 HydrophobicContact CB-CB 4.47Å; M129-W158 HydrophobicContact CE-CE3 3.95Å; M129-W158 HydrophobicContact CG-CB 4.41Å; M129-R160 HydrophobicContact CG-CB 4.09Å; M129-R160 HydrophobicContact SD-CB 4.22Å; M129-I271 HydrophobicContact CE-CD1 3.58Å
130	I	98.6	Very high	96.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	121.1	-177.8	-60.1	172	0	0	0	108.6	L92 L117 F128 L140 L144 F157 W158 I159 R160	L92-I130 HydrophobicContact CD2-CG2 4.01Å; L117-I130 HydrophobicContact CD2-CD1 4.39Å; F128-I130 HydrophobicContact CD1-CD1 4.22Å; F128-I130 HydrophobicContact CD1-CG1 3.81Å; F128-I130 HydrophobicContact CE1-CG1 4Å; I130-L140 HydrophobicContact CG2-CD1 4.03Å; I130-L140 HydrophobicContact CG2-CD2 3.83Å; I130-L140 HydrophobicContact CG2-CG 4.35Å; I130-L144 HydrophobicContact CD1-CD1 3.98Å; I130-L144 HydrophobicContact CD1-CD2 4.01Å; I130-F157 HydrophobicContact CD1-CD1 4.3Å; I130-W158 PolarHBondContact N-O 3.05Å; I130-I159 HydrophobicContact CB-CD1 4.01Å; I130-I159 HydrophobicContact CD1-CD1 4.43Å; I130-I159 CarbonylContact O-C 3.6Å; I130-I159 VanDerWaalsContact O-CA 3.3Å; I130-I159 WeakPolarHBondContact O-CA 3.39Å; I130-R160 PolarHBondContact O-N 2.97Å
131	P	97.3	Very high	96.7	Very high	41 Å²	41	36.5 Å²	36.5	27%	0.266	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	140.8	177.1	32.4	-33	0	0	0	112.2	R160	P131-R160 WeakPolarHBondContact CA-O 3.45Å; P131-R160 HydrophobicContact CB-CB 4.48Å
132	L	96.9	Very high	96.8	Very high	7 Å²	7	40.6 Å²	40.6	4%	0.037	22%	0.221	C	C	.	.			trans	-90.4	124.9	159.5	-56.4	-173.2	0	0	0	108.6	N137 L140 I159 R160 V161 W194 F198	L132-N137 HydrophobicContact CD2-CB 4.15Å; L132-L140 HydrophobicContact CD2-CD2 4.13Å; L132-I159 HydrophobicContact CD1-CG2 3.71Å; L132-I159 HydrophobicContact CD2-CG2 3.78Å; L132-I159 HydrophobicContact CG-CG2 3.42Å; L132-I159 VanDerWaalsContact CG-CG2 3.42Å; L132-R160 PolarHBondContact N-O 2.98Å; L132-V161 HydrophobicContact CB-CG2 4.27Å; L132-V161 HydrophobicContact CD1-CG2 3.79Å; L132-V161 HydrophobicContact CG-CG2 4Å; L132-W194 HydrophobicContact CD1-CB 4.19Å; L132-F198 HydrophobicContact CD1-CB 3.96Å; L132-F198 HydrophobicContact CD1-CG 4.22Å; L132-F198 HydrophobicContact CD2-CD2 3.74Å; L132-F198 HydrophobicContact CD2-CE2 4.03Å; L132-F198 HydrophobicContact CD2-CG 4.07Å
133	K	90.2	Very high	96.8	Very high	119 Å²	119	34.9 Å²	34.9	52%	0.517	20%	0.2	S	C	.	.			trans	-101.4	-10.2	-176.6	-62.8	173	-177.6	165.5	0	113.4	Q94 V96	Q94-K133 PolarHBondContact O-NZ 2.87Å; V96-K133 PolarHBondContact O-NZ 2.88Å; V96-K133 VanDerWaalsContact O-NZ 3.12Å
134	G	92.4	Very high	96.8	Very high	14 Å²	14	34.4 Å²	34.4	14%	0.144	20%	0.197	C	C	.	.	S	Bend	trans	-178	-166.7	-173.9	0	0	0	0	0	110.8	N137 W194	G134-N137 PolarHBondContact O-ND2 2.66Å; G134-W194 VanDerWaalsContact C-CD2 3.49Å
135	P	92.2	Very high	96.8	Very high	81 Å²	81	34.6 Å²	34.6	53%	0.526	19%	0.191	S	C	.	.	S	Bend	trans	-77.6	-29.2	-178.8	29	-33.9	0	0	0	113.9	N137 W194	P135-N137 PolarHBondContact O-N 2.91Å; P135-N137 PolarHBondContact O-ND2 2.88Å; P135-W194 VanDerWaalsContact CA-CD1 3.49Å
136	N	94.1	Very high	96.7	Very high	122 Å²	122	38.2 Å²	38.2	65%	0.652	21%	0.21	S	C	*	.			trans	-86.6	96.4	-172.7	-61.6	-27.1	0	0	0	111	D99	D99-N136 WeakPolarHBondContact CB-O 3.43Å
137	N	96.4	Very high	96.7	Very high	14 Å²	14	36.6 Å²	36.6	8%	0.075	20%	0.199	C	C	.	.			trans	-137.1	25.9	-178.3	-52.3	-85.3	0	0	0	112.4	D99 L132 G134 P135 L140 A141 F198	D99-N137 WeakPolarHBondContact OD2-CA 3.42Å; L132-N137 HydrophobicContact CD2-CB 4.15Å; G134-N137 PolarHBondContact O-ND2 2.66Å; P135-N137 PolarHBondContact O-N 2.91Å; P135-N137 PolarHBondContact O-ND2 2.88Å; N137-L140 HydrophobicContact CB-CB 4.39Å; N137-L140 HydrophobicContact CB-CD2 4.35Å; N137-A141 VanDerWaalsContact O-CB 3.29Å; N137-A141 WeakPolarHBondContact O-CB 3.31Å; N137-A141 PolarHBondContact O-N 3.35Å; N137-F198 HydrophobicContact CB-CD2 3.76Å; N137-F198 HydrophobicContact CB-CE2 4.3Å
138	A	97.7	Very high	96.6	Very high	55 Å²	55	36.7 Å²	36.7	46%	0.455	20%	0.198	S	C	.	.	H	α-helix	trans	-71.2	-42	-171	0	0	0	0	0	112.1	D99 A141 R142 L201	D99-A138 PolarHBondContact OD1-N 2.86Å; A138-A141 PolarHBondContact O-N 3.3Å; A138-R142 WeakPolarHBondContact O-CB 3.26Å; A138-R142 PolarHBondContact O-N 3.27Å; A138-L201 HydrophobicContact CB-CD1 4.02Å
139	N	98.1	Very high	96.4	Very high	25 Å²	25	43 Å²	43	13%	0.134	23%	0.227	C	C	.	.	H	α-helix	trans	-73.6	-37.6	177.5	-163.2	30	0	0	0	111	A98 D99 E110 A141 R142 M143	A98-N139 VanDerWaalsContact O-CB 3.29Å; A98-N139 WeakPolarHBondContact O-CB 3.43Å; A98-N139 PolarHBondContact O-ND2 2.93Å; D99-N139 PolarHBondContact OD1-N 2.84Å; E110-N139 PolarHBondContact OE1-ND2 3.36Å; N139-A141 VanDerWaalsContact C-N 3.34Å; N139-A141 PolarHBondContact O-N 3.36Å; N139-R142 PolarHBondContact O-N 2.87Å; N139-R142 VanDerWaalsContact OD1-CZ 3.31Å; N139-R142 PolarHBondContact OD1-NE 2.91Å; N139-R142 PolarHBondContact OD1-NH2 3.03Å; N139-M143 WeakPolarHBondContact O-CB 3.33Å; N139-M143 WeakPolarHBondContact O-CG 3.47Å; N139-M143 PolarHBondContact O-N 2.83Å
140	L	98.5	Very high	95.9	Very high	12 Å²	12	47.9 Å²	47.9	6%	0.063	26%	0.258	C	S	.	.	H	α-helix	trans	-54.2	-49.5	168.9	178.4	61.4	0	0	0	111.6	A98 D99 L113 I130 L132 N137 M143 L144 F198	A98-L140 HydrophobicContact CB-CB 4.31Å; D99-L140 WeakPolarHBondContact OD2-CB 3.21Å; D99-L140 PolarHBondContact OD2-N 3.5Å; L113-L140 HydrophobicContact CD1-CD1 4.22Å; L113-L140 HydrophobicContact CD2-CD1 3.58Å; I130-L140 HydrophobicContact CG2-CD1 4.03Å; I130-L140 HydrophobicContact CG2-CD2 3.83Å; I130-L140 HydrophobicContact CG2-CG 4.35Å; L132-L140 HydrophobicContact CD2-CD2 4.13Å; N137-L140 HydrophobicContact CB-CB 4.39Å; N137-L140 HydrophobicContact CB-CD2 4.35Å; L140-M143 PolarHBondContact O-N 3.31Å; L140-L144 WeakPolarHBondContact O-CB 3.49Å; L140-L144 PolarHBondContact O-N 3.31Å; L140-F198 HydrophobicContact CB-CE2 4.41Å; L140-F198 HydrophobicContact CD2-CE2 4.04Å; L140-F198 HydrophobicContact CG-CE2 3.92Å
141	A	98.4	Very high	95.1	Very high	1 Å²	1	49 Å²	49	1%	0.008	27%	0.27	C	S	.	.	H	α-helix	trans	-59.7	-47.6	177.3	0	0	0	0	0	111.8	N137 A138 N139 M143 L144 L145 F198 L201	N137-A141 VanDerWaalsContact O-CB 3.29Å; N137-A141 WeakPolarHBondContact O-CB 3.31Å; N137-A141 PolarHBondContact O-N 3.35Å; A138-A141 PolarHBondContact O-N 3.3Å; N139-A141 VanDerWaalsContact C-N 3.34Å; N139-A141 PolarHBondContact O-N 3.36Å; A141-M143 PolarHBondContact O-N 2.79Å; A141-L144 PolarHBondContact O-N 3.39Å; A141-L145 VanDerWaalsContact O-CB 3.29Å; A141-L145 WeakPolarHBondContact O-CB 3.25Å; A141-L145 PolarHBondContact O-N 3.18Å; A141-F198 HydrophobicContact CB-CD2 3.88Å; A141-F198 HydrophobicContact CB-CE2 3.72Å; A141-F198 HydrophobicContact CB-CZ 4.36Å; A141-L201 HydrophobicContact CB-CB 3.89Å; A141-L201 HydrophobicContact CB-CD1 4.22Å
142	R	98.3	Very high	94.3	Very high	112 Å²	112	56.9 Å²	56.9	42%	0.423	30%	0.303	S	S	.	.	H	α-helix	trans	-56.5	-47.6	176.8	-176.7	-165.2	68.3	91.7	-1	111.7	A138 N139 L145 N146	A138-R142 WeakPolarHBondContact O-CB 3.26Å; A138-R142 PolarHBondContact O-N 3.27Å; N139-R142 PolarHBondContact O-N 2.87Å; N139-R142 VanDerWaalsContact OD1-CZ 3.31Å; N139-R142 PolarHBondContact OD1-NE 2.91Å; N139-R142 PolarHBondContact OD1-NH2 3.03Å; R142-L145 PolarHBondContact O-N 2.79Å; R142-N146 WeakPolarHBondContact O-CB 3.44Å; R142-N146 VanDerWaalsContact O-CG 3.24Å; R142-N146 PolarHBondContact O-N 2.86Å
143	M	98	Very high	94	Very high	25 Å²	25	57.9 Å²	57.9	12%	0.123	31%	0.307	C	S	.	.	H	α-helix	trans	-68.1	-42.7	-178.3	-71.7	-159.7	70.4	0	0	112.7	E110 L113 A114 N139 L140 A141 L145 N146 H147	E110-M143 WeakPolarHBondContact CA-SD 3.23Å; E110-M143 HydrophobicContact CB-CE 3.87Å; E110-M143 HydrophobicContact CB-SD 3.47Å; E110-M143 WeakPolarHBondContact CB-SD 3.29Å; E110-M143 HydrophobicContact CG-CE 4.49Å; E110-M143 HydrophobicContact CG-SD 3.47Å; E110-M143 WeakPolarHBondContact CG-SD 3.34Å; E110-M143 WeakPolarHBondContact O-CE 3.45Å; L113-M143 HydrophobicContact CD2-CB 3.68Å; L113-M143 HydrophobicContact CD2-CE 4.44Å; L113-M143 HydrophobicContact CD2-CG 4.37Å; L113-M143 HydrophobicContact CD2-SD 3.93Å; A114-M143 HydrophobicContact CB-CE 4.02Å; N139-M143 WeakPolarHBondContact O-CB 3.33Å; N139-M143 WeakPolarHBondContact O-CG 3.47Å; N139-M143 PolarHBondContact O-N 2.83Å; L140-M143 PolarHBondContact O-N 3.31Å; A141-M143 PolarHBondContact O-N 2.79Å; M143-L145 VanDerWaalsContact C-N 3.33Å; M143-N146 PolarHBondContact O-N 3.12Å; M143-H147 PolarHBondContact O-N 3.26Å
144	L	97.9	Very high	94.1	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-60.9	-45.3	175.1	178	59.6	0	0	0	110.9	L117 I130 L140 A141 N146 H147 I148 F157 I159 F198 I208	L117-L144 HydrophobicContact CD1-CD1 4.43Å; L117-L144 HydrophobicContact CD2-CD1 4.21Å; I130-L144 HydrophobicContact CD1-CD1 3.98Å; I130-L144 HydrophobicContact CD1-CD2 4.01Å; L140-L144 WeakPolarHBondContact O-CB 3.49Å; L140-L144 PolarHBondContact O-N 3.31Å; A141-L144 PolarHBondContact O-N 3.39Å; L144-N146 PolarHBondContact O-N 3.43Å; L144-H147 PolarHBondContact O-N 2.95Å; L144-I148 HydrophobicContact CD1-CD1 4.18Å; L144-I148 HydrophobicContact CD1-CG1 4.39Å; L144-I148 HydrophobicContact CG-CD1 3.96Å; L144-I148 WeakPolarHBondContact O-CG1 3.45Å; L144-I148 PolarHBondContact O-N 2.69Å; L144-F157 HydrophobicContact CD1-CB 4.47Å; L144-F157 HydrophobicContact CD1-CD1 3.54Å; L144-F157 HydrophobicContact CD1-CD2 4.04Å; L144-F157 HydrophobicContact CD1-CE1 3.63Å; L144-F157 HydrophobicContact CD1-CE2 4.13Å; L144-F157 HydrophobicContact CD1-CG 3.73Å; L144-F157 HydrophobicContact CD1-CZ 3.89Å; L144-F157 HydrophobicContact CD2-CB 4.35Å; L144-F157 HydrophobicContact CD2-CG 4.43Å; L144-I159 HydrophobicContact CD2-CD1 4.16Å; L144-F198 HydrophobicContact CD2-CE1 4.1Å; L144-F198 HydrophobicContact CD2-CZ 3.78Å; L144-I208 HydrophobicContact CD2-CD1 3.93Å; L144-I208 HydrophobicContact CD2-CG1 4.22Å
145	L	96.8	Very high	94.2	Very high	35 Å²	35	58.1 Å²	58.1	18%	0.183	32%	0.316	C	S	.	.	H	α-helix	trans	-62.9	-41.9	178.8	-166.5	66.3	0	0	0	111.7	A141 R142 M143 H147 I148 H149 C202	A141-L145 VanDerWaalsContact O-CB 3.29Å; A141-L145 WeakPolarHBondContact O-CB 3.25Å; A141-L145 PolarHBondContact O-N 3.18Å; R142-L145 PolarHBondContact O-N 2.79Å; M143-L145 VanDerWaalsContact C-N 3.33Å; L145-H147 VanDerWaalsContact C-N 3.33Å; L145-H147 PolarHBondContact O-N 2.9Å; L145-I148 PolarHBondContact O-N 3Å; L145-H149 VanDerWaalsContact CD1-CE1 3.44Å; L145-H149 WeakPolarHBondContact CD1-CE1 3.18Å; L145-H149 PolarHBondContact O-N 3.11Å; L145-H149 VanDerWaalsContact O-N 3.08Å; L145-H149 PolarHBondContact O-ND1 3.36Å; L145-C202 HydrophobicContact CD1-CB 4.31Å
146	N	96.4	Very high	94.4	Very high	78 Å²	78	57.3 Å²	57.3	42%	0.417	31%	0.307	S	S	.	.	H	α-helix	trans	-60	-43.7	173.9	-76.1	-10.6	0	0	0	111.6	R142 M143 L144 H149 T150	R142-N146 WeakPolarHBondContact O-CB 3.44Å; R142-N146 VanDerWaalsContact O-CG 3.24Å; R142-N146 PolarHBondContact O-N 2.86Å; M143-N146 PolarHBondContact O-N 3.12Å; L144-N146 PolarHBondContact O-N 3.43Å; N146-H149 PolarHBondContact O-N 3.3Å; N146-T150 WeakPolarHBondContact O-CB 3.36Å; N146-T150 VanDerWaalsContact O-CG2 3.32Å; N146-T150 WeakPolarHBondContact O-CG2 3.42Å; N146-T150 PolarHBondContact O-N 2.77Å; N146-T150 PolarHBondContact O-OG1 3.36Å
147	H	97.3	Very high	94.7	Very high	11 Å²	11	51.5 Å²	51.5	5%	0.051	28%	0.276	C	S	.	.	H	α-helix	trans	-63.4	-43.9	177.3	173.5	72.6	0	0	0	111.7	L117 N118 M143 L144 L145 H149 T150 G151 H153 F157	L117-H147 VanDerWaalsContact C-CE1 3.46Å; L117-H147 HydrophobicContact CD1-CB 3.94Å; L117-H147 PolarHBondContact O-CE1 2.76Å; N118-H147 PolarHBondContact OD1-ND1 3.17Å; M143-H147 PolarHBondContact O-N 3.26Å; L144-H147 PolarHBondContact O-N 2.95Å; L145-H147 VanDerWaalsContact C-N 3.33Å; L145-H147 PolarHBondContact O-N 2.9Å; H147-H149 VanDerWaalsContact C-N 3.28Å; H147-H149 PolarHBondContact O-N 2.93Å; H147-T150 PolarHBondContact O-N 3Å; H147-G151 PolarHBondContact O-N 2.94Å; H147-H153 AromaticContact CD2-CE1 3.84Å; H147-H153 AromaticContact CD2-NE2 3.71Å; H147-H153 AromaticContact CE1-CE1 3.89Å; H147-H153 AromaticContact CE1-NE2 3.6Å; H147-H153 AromaticContact NE2-CE1 3.12Å; H147-H153 PolarHBondContact NE2-CE1 3.3Å; H147-H153 AromaticContact NE2-NE2 3.16Å; H147-H153 PolarHBondContact NE2-NE2 2.86Å; H147-H153 VanDerWaalsContact NE2-NE2 3.16Å; H147-F157 AromaticContact CD2-CZ 3.64Å; H147-F157 AromaticContact NE2-CZ 3.91Å
148	I	96.4	Very high	94.8	Very high	13 Å²	13	51.2 Å²	51.2	7%	0.067	27%	0.274	C	S	.	.	H	α-helix	trans	-58	-40	176.6	-72.2	167.4	0	0	0	112	L144 L145 F157 I208	L144-I148 HydrophobicContact CD1-CD1 4.18Å; L144-I148 HydrophobicContact CD1-CG1 4.39Å; L144-I148 HydrophobicContact CG-CD1 3.96Å; L144-I148 WeakPolarHBondContact O-CG1 3.45Å; L144-I148 PolarHBondContact O-N 2.69Å; L145-I148 PolarHBondContact O-N 3Å; I148-F157 HydrophobicContact CD1-CD2 3.84Å; I148-F157 HydrophobicContact CD1-CE2 3.84Å; I148-F157 HydrophobicContact CG1-CD2 4Å; I148-F157 HydrophobicContact CG1-CE2 3.45Å; I148-F157 VanDerWaalsContact CG1-CE2 3.45Å; I148-F157 HydrophobicContact CG1-CZ 4.15Å; I148-I208 HydrophobicContact CD1-CD1 3.98Å; I148-I208 HydrophobicContact CD1-CG1 3.89Å
149	H	93.6	Very high	94.8	Very high	132 Å²	132	48.6 Å²	48.6	61%	0.611	25%	0.253	S	S	*	.	H	α-helix	trans	-84	-28.5	-177.1	-73.6	97.8	0	0	0	114.3	L145 N146 H147	L145-H149 VanDerWaalsContact CD1-CE1 3.44Å; L145-H149 WeakPolarHBondContact CD1-CE1 3.18Å; L145-H149 PolarHBondContact O-N 3.11Å; L145-H149 VanDerWaalsContact O-N 3.08Å; L145-H149 PolarHBondContact O-ND1 3.36Å; N146-H149 PolarHBondContact O-N 3.3Å; H147-H149 VanDerWaalsContact C-N 3.28Å; H147-H149 PolarHBondContact O-N 2.93Å
150	T	89.6	Confident	94.8	Very high	108 Å²	108	49.3 Å²	49.3	66%	0.663	25%	0.253	S	S	*	.	H	α-helix	trans	-91.6	-21.6	-178.6	55.4	0	0	0	0	113	N146 H147	N146-T150 WeakPolarHBondContact O-CB 3.36Å; N146-T150 VanDerWaalsContact O-CG2 3.32Å; N146-T150 WeakPolarHBondContact O-CG2 3.42Å; N146-T150 PolarHBondContact O-N 2.77Å; N146-T150 PolarHBondContact O-OG1 3.36Å; H147-T150 PolarHBondContact O-N 3Å
151	G	79.9	Confident	94.8	Very high	25 Å²	25	48.8 Å²	48.8	26%	0.258	25%	0.25	S	S	.	.			trans	-89.1	139.3	-178.5	0	0	0	0	0	114.4	H147 H153	H147-G151 PolarHBondContact O-N 2.94Å; G151-H153 PolarHBondContact O-N 2.87Å
152	H	82.1	Confident	94.6	Very high	206 Å²	206	49.5 Å²	49.5	95%	0.954	26%	0.255	S	S	*	.			trans	-91.1	69.3	169	-63.7	-63.2	0	0	0	111.4
153	H	90.6	Very high	94.3	Very high	28 Å²	28	44.3 Å²	44.3	13%	0.13	24%	0.236	C	C	.	.			trans	-147.1	162.7	178.7	68.2	115.9	0	0	0	111.3	A121 H147 G151 S155 F157 R207	A121-H153 HydrophobicContact CB-CB 4.11Å; H147-H153 AromaticContact CD2-CE1 3.84Å; H147-H153 AromaticContact CD2-NE2 3.71Å; H147-H153 AromaticContact CE1-CE1 3.89Å; H147-H153 AromaticContact CE1-NE2 3.6Å; H147-H153 AromaticContact NE2-CE1 3.12Å; H147-H153 PolarHBondContact NE2-CE1 3.3Å; H147-H153 AromaticContact NE2-NE2 3.16Å; H147-H153 PolarHBondContact NE2-NE2 2.86Å; H147-H153 VanDerWaalsContact NE2-NE2 3.16Å; G151-H153 PolarHBondContact O-N 2.87Å; H153-S155 PolarHBondContact ND1-OG 2.73Å; H153-S155 VanDerWaalsContact ND1-OG 3.1Å; H153-F157 AromaticContact CE1-CZ 3.81Å; H153-R207 PolarHBondContact CE1-NH2 3.43Å; H153-R207 PolarHBondContact ND1-NH2 3.13Å; H153-R207 PolarHBondContact NE2-NH2 3.33Å; H153-R207 VanDerWaalsContact O-CZ 3.24Å; H153-R207 PolarHBondContact O-NH1 3.06Å; H153-R207 PolarHBondContact O-NH2 3.08Å; H153-R207 VanDerWaalsContact O-NH2 3.17Å
154	T	90.9	Very high	94	Very high	133 Å²	133	44.4 Å²	44.4	82%	0.816	24%	0.238	S	C	*	.			trans	-111.3	6.4	-172.5	53.9	0	0	0	0	113.9
155	S	94.9	Very high	93.6	Very high	4 Å²	4	44.5 Å²	44.5	3%	0.028	24%	0.239	C	C	.	.			trans	-55.3	141.2	-177.7	-45	0	0	0	0	112.4	L125 H153 R207	L125-S155 VanDerWaalsContact O-CB 3.23Å; L125-S155 WeakPolarHBondContact O-CB 3.49Å; L125-S155 PolarHBondContact O-OG 2.76Å; H153-S155 PolarHBondContact ND1-OG 2.73Å; H153-S155 VanDerWaalsContact ND1-OG 3.1Å; S155-R207 VanDerWaalsContact N-NH2 3.19Å; S155-R207 PolarHBondContact O-NE 3.1Å; S155-R207 PolarHBondContact O-NH2 3.43Å
156	N	97.4	Very high	93.3	Very high	64 Å²	64	47.5 Å²	47.5	34%	0.342	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	160.6	168.3	-65.8	-59.9	0	0	0	110.6	P126 V127 F128 R207	P126-N156 PolarHBondContact O-N 2.64Å; V127-N156 CarbonylContact C-O 3.54Å; V127-N156 VanDerWaalsContact CA-O 3.25Å; V127-N156 WeakPolarHBondContact CA-O 3.38Å; V127-N156 HydrophobicContact CG2-CB 4.42Å; F128-N156 PolarHBondContact N-O 3.02Å; N156-R207 CarbonylContact C-O 3.57Å; N156-R207 WeakPolarHBondContact CA-O 3.34Å
157	F	98.5	Very high	92.8	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	116.7	179.5	-61.4	-80.3	0	0	0	108.9	L117 F128 I130 L144 H147 I148 H153 R207 C209	L117-F157 HydrophobicContact CD2-CD1 4.33Å; L117-F157 HydrophobicContact CD2-CE1 3.69Å; F128-F157 HydrophobicContact CB-CD1 4Å; F128-F157 HydrophobicContact CB-CE1 4.11Å; F128-F157 CarbonylContact O-C 3.46Å; F128-F157 VanDerWaalsContact O-CA 3.3Å; F128-F157 WeakPolarHBondContact O-CA 3.42Å; I130-F157 HydrophobicContact CD1-CD1 4.3Å; L144-F157 HydrophobicContact CD1-CB 4.47Å; L144-F157 HydrophobicContact CD1-CD1 3.54Å; L144-F157 HydrophobicContact CD1-CD2 4.04Å; L144-F157 HydrophobicContact CD1-CE1 3.63Å; L144-F157 HydrophobicContact CD1-CE2 4.13Å; L144-F157 HydrophobicContact CD1-CG 3.73Å; L144-F157 HydrophobicContact CD1-CZ 3.89Å; L144-F157 HydrophobicContact CD2-CB 4.35Å; L144-F157 HydrophobicContact CD2-CG 4.43Å; H147-F157 AromaticContact CD2-CZ 3.64Å; H147-F157 AromaticContact NE2-CZ 3.91Å; I148-F157 HydrophobicContact CD1-CD2 3.84Å; I148-F157 HydrophobicContact CD1-CE2 3.84Å; I148-F157 HydrophobicContact CG1-CD2 4Å; I148-F157 HydrophobicContact CG1-CE2 3.45Å; I148-F157 VanDerWaalsContact CG1-CE2 3.45Å; I148-F157 HydrophobicContact CG1-CZ 4.15Å; H153-F157 AromaticContact CE1-CZ 3.81Å; F157-R207 HydrophobicContact CD2-CB 4.34Å; F157-R207 PolarHBondContact N-O 2.84Å; F157-C209 PolarHBondContact O-N 2.82Å
158	W	98.8	Very high	92.2	Very high	9 Å²	9	52.5 Å²	52.5	3%	0.034	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	110.8	176.3	-77.5	2	0	0	0	109.4	F46 V89 V127 F128 M129 I130 R160 C209 A211 A234 I271	F46-W158 HydrophobicContact CE2-CH2 4.2Å; F46-W158 HydrophobicContact CE2-CZ3 4.09Å; F46-W158 HydrophobicContact CZ-CH2 4.09Å; F46-W158 HydrophobicContact CZ-CZ3 4.31Å; V89-W158 HydrophobicContact CG1-CE3 4.3Å; V89-W158 HydrophobicContact CG1-CZ3 4.3Å; V89-W158 HydrophobicContact CG2-CH2 4.47Å; V89-W158 HydrophobicContact CG2-CZ3 4.14Å; V127-W158 HydrophobicContact CB-CD2 4.48Å; V127-W158 HydrophobicContact CG1-CB 3.92Å; V127-W158 HydrophobicContact CG1-CD2 3.36Å; V127-W158 HydrophobicContact CG1-CE3 3.74Å; V127-W158 HydrophobicContact CG1-CG 3.41Å; V127-W158 VanDerWaalsContact CG1-CG 3.41Å; V127-W158 HydrophobicContact CG1-CZ2 4.24Å; V127-W158 HydrophobicContact CG1-CZ3 4.28Å; V127-W158 HydrophobicContact CG2-CD2 4.48Å; V127-W158 HydrophobicContact CG2-CH2 4.41Å; V127-W158 HydrophobicContact CG2-CZ2 3.91Å; F128-W158 PolarHBondContact O-N 3.32Å; M129-W158 CarbonylContact C-O 3.59Å; M129-W158 VanDerWaalsContact CA-O 3.28Å; M129-W158 WeakPolarHBondContact CA-O 3.21Å; M129-W158 HydrophobicContact CB-CB 4.47Å; M129-W158 HydrophobicContact CE-CE3 3.95Å; M129-W158 HydrophobicContact CG-CB 4.41Å; I130-W158 PolarHBondContact N-O 3.05Å; W158-R160 PolarHBondContact O-N 2.93Å; W158-C209 WeakPolarHBondContact CA-O 3.4Å; W158-A211 HydrophobicContact CB-CB 3.96Å; W158-A211 HydrophobicContact CG-CB 4.37Å; W158-A234 HydrophobicContact CD2-CB 4.04Å; W158-A234 HydrophobicContact CE3-CB 3.83Å; W158-A234 HydrophobicContact CH2-CB 4Å; W158-A234 HydrophobicContact CZ2-CB 4.18Å; W158-A234 HydrophobicContact CZ3-CB 3.84Å; W158-I271 HydrophobicContact CE3-CD1 3.82Å; W158-I271 HydrophobicContact CH2-CD1 4.42Å; W158-I271 HydrophobicContact CZ3-CD1 3.44Å; W158-I271 VanDerWaalsContact CZ3-CD1 3.44Å; W158-I271 HydrophobicContact CZ3-CG1 4.41Å
159	I	98.7	Very high	91.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	108.6	176	-53.1	-50.6	0	0	0	107.3	I130 L132 L144 V161 W195 F198 I208 C209 A211	I130-I159 HydrophobicContact CB-CD1 4.01Å; I130-I159 HydrophobicContact CD1-CD1 4.43Å; I130-I159 CarbonylContact O-C 3.6Å; I130-I159 VanDerWaalsContact O-CA 3.3Å; I130-I159 WeakPolarHBondContact O-CA 3.39Å; L132-I159 HydrophobicContact CD1-CG2 3.71Å; L132-I159 HydrophobicContact CD2-CG2 3.78Å; L132-I159 HydrophobicContact CG-CG2 3.42Å; L132-I159 VanDerWaalsContact CG-CG2 3.42Å; L144-I159 HydrophobicContact CD2-CD1 4.16Å; I159-V161 HydrophobicContact CG2-CG2 3.89Å; I159-V161 PolarHBondContact O-N 3.02Å; I159-W195 HydrophobicContact CB-CE3 4.05Å; I159-W195 HydrophobicContact CB-CZ3 3.67Å; I159-W195 HydrophobicContact CG1-CE3 4.49Å; I159-W195 HydrophobicContact CG1-CZ3 3.74Å; I159-W195 HydrophobicContact CG2-CE3 4.01Å; I159-W195 HydrophobicContact CG2-CZ3 4.1Å; I159-F198 HydrophobicContact CD1-CD1 4.47Å; I159-F198 HydrophobicContact CD1-CE1 3.58Å; I159-F198 HydrophobicContact CD1-CZ 3.94Å; I159-F198 HydrophobicContact CG1-CD1 4.13Å; I159-F198 HydrophobicContact CG1-CE1 3.66Å; I159-F198 HydrophobicContact CG1-CZ 4.47Å; I159-F198 HydrophobicContact CG2-CD1 4.31Å; I159-F198 HydrophobicContact CG2-CE1 4.4Å; I159-I208 HydrophobicContact CD1-CG2 4.15Å; I159-I208 HydrophobicContact CG1-CG2 3.49Å; I159-I208 VanDerWaalsContact CG1-CG2 3.49Å; I159-C209 PolarHBondContact N-O 3.44Å; I159-A211 PolarHBondContact O-N 3.43Å
160	R	98.4	Very high	91.3	Very high	40 Å²	40	51.6 Å²	51.6	15%	0.151	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	115.7	-179.8	177.6	178.6	174.9	165.6	-2.2	109	D25 M129 I130 P131 L132 W158 A211 E213 V236	D25-R160 IonicContact OD2-NH1 3.27Å; D25-R160 PolarHBondContact OD2-NH1 2.82Å; M129-R160 HydrophobicContact CG-CB 4.09Å; M129-R160 HydrophobicContact SD-CB 4.22Å; I130-R160 PolarHBondContact O-N 2.97Å; P131-R160 WeakPolarHBondContact CA-O 3.45Å; P131-R160 HydrophobicContact CB-CB 4.48Å; L132-R160 PolarHBondContact N-O 2.98Å; W158-R160 PolarHBondContact O-N 2.93Å; R160-A211 VanDerWaalsContact CA-O 3.28Å; R160-A211 WeakPolarHBondContact CA-O 3.3Å; R160-E213 IonicContact CZ-OE1 2.66Å; R160-E213 IonicContact CZ-OE2 2.64Å; R160-E213 VanDerWaalsContact CZ-OE2 3.26Å; R160-E213 IonicContact NE-OE1 2.81Å; R160-E213 IonicContact NE-OE2 3.46Å; R160-E213 PolarHBondContact NE-OE2 3.46Å; R160-E213 IonicContact NH2-OE1 3.45Å; R160-E213 PolarHBondContact NH2-OE1 3.34Å; R160-E213 IonicContact NH2-OE2 2.97Å; R160-E213 PolarHBondContact NH2-OE2 2.88Å; R160-V236 HydrophobicContact CG-CG2 4.5Å
161	V	97.3	Very high	91.2	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	130	-179.5	-169.9	0	0	0	0	108.6	L132 I159 W195 L210 A211 I212 E213 W227	L132-V161 HydrophobicContact CB-CG2 4.27Å; L132-V161 HydrophobicContact CD1-CG2 3.79Å; L132-V161 HydrophobicContact CG-CG2 4Å; I159-V161 HydrophobicContact CG2-CG2 3.89Å; I159-V161 PolarHBondContact O-N 3.02Å; V161-W195 HydrophobicContact CG2-CB 4.36Å; V161-L210 HydrophobicContact CB-CD1 3.98Å; V161-L210 HydrophobicContact CG2-CD1 3.72Å; V161-A211 PolarHBondContact N-O 3.43Å; V161-A211 VanDerWaalsContact N-O 3.08Å; V161-I212 CarbonylContact O-C 3.56Å; V161-I212 WeakPolarHBondContact O-CA 3.16Å; V161-I212 WeakPolarHBondContact O-CD1 3.21Å; V161-E213 PolarHBondContact O-N 3.43Å; V161-W227 HydrophobicContact CB-CH2 4.23Å; V161-W227 HydrophobicContact CG1-CH2 3.81Å; V161-W227 HydrophobicContact CG1-CZ2 4.47Å
162	P	94.9	Very high	91.6	Very high	16 Å²	16	55.6 Å²	55.6	10%	0.104	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	150.5	177	34.6	-35.8	0	0	0	111.4	V164 T191 E213	P162-V164 VanDerWaalsContact C-N 3.3Å; P162-V164 VanDerWaalsContact CB-O 3.31Å; P162-V164 WeakPolarHBondContact CB-O 3.45Å; P162-V164 PolarHBondContact O-N 3.47Å; P162-T191 HydrophobicContact CG-CG2 4.29Å; P162-T191 WeakPolarHBondContact O-CB 3.15Å; P162-T191 WeakPolarHBondContact O-CG2 3.22Å; P162-T191 PolarHBondContact O-OG1 3.09Å; P162-E213 WeakPolarHBondContact CA-O 3.46Å; P162-E213 HydrophobicContact CB-CB 4.27Å; P162-E213 HydrophobicContact CB-CG 4.47Å
163	L	92.4	Very high	92	Very high	4 Å²	4	52.8 Å²	52.8	2%	0.021	28%	0.278	C	S	.	.	S	Bend	trans	-59	-44.7	172.4	-76.7	171	0	0	0	111.2	T191 I212 E213 V214 M218 P219 W227 I259	L163-T191 PolarHBondContact O-OG1 3.2Å; L163-I212 HydrophobicContact CD2-CD1 3.79Å; L163-I212 HydrophobicContact CD2-CG1 3.65Å; L163-I212 HydrophobicContact CG-CD1 4.13Å; L163-I212 HydrophobicContact CG-CG1 3.79Å; L163-E213 PolarHBondContact N-O 3.27Å; L163-V214 HydrophobicContact CD1-CB 4.39Å; L163-V214 HydrophobicContact CD1-CG1 4.24Å; L163-V214 HydrophobicContact CD1-CG2 4.17Å; L163-M218 HydrophobicContact CD1-CE 4.45Å; L163-P219 HydrophobicContact CB-CG 4.42Å; L163-W227 HydrophobicContact CD2-CG 4.41Å; L163-I259 HydrophobicContact CD1-CD1 3.53Å; L163-I259 HydrophobicContact CD2-CD1 4.39Å
164	V	90.6	Very high	92	Very high	27 Å²	27	54.8 Å²	54.8	16%	0.164	29%	0.289	C	S	.	.	S	Bend	trans	-120.5	136	178	-171.3	0	0	0	0	108.2	P162 D168 M169 P219	P162-V164 VanDerWaalsContact C-N 3.3Å; P162-V164 VanDerWaalsContact CB-O 3.31Å; P162-V164 WeakPolarHBondContact CB-O 3.45Å; P162-V164 PolarHBondContact O-N 3.47Å; V164-D168 HydrophobicContact CG1-CB 3.94Å; V164-M169 HydrophobicContact CB-CG 3.89Å; V164-M169 HydrophobicContact CB-SD 3.81Å; V164-M169 HydrophobicContact CG1-CG 3.64Å; V164-M169 HydrophobicContact CG1-SD 3.66Å; V164-M169 HydrophobicContact CG2-SD 4.32Å; V164-P219 HydrophobicContact CG2-CB 3.93Å; V164-P219 HydrophobicContact CG2-CG 3.99Å
165	A	90.7	Very high	91.9	Very high	2 Å²	2	57.7 Å²	57.7	2%	0.017	29%	0.294	C	S	.	.			trans	-69.4	150.5	-177.4	0	0	0	0	0	111.3	E167 D168 M169 K190 T191 W194	A165-E167 PolarHBondContact O-N 3.19Å; A165-E167 VanDerWaalsContact O-N 3.15Å; A165-D168 WeakPolarHBondContact CB-OD2 3.31Å; A165-D168 PolarHBondContact O-N 3.04Å; A165-D168 VanDerWaalsContact O-N 3.11Å; A165-M169 WeakPolarHBondContact O-CG 3.45Å; A165-M169 PolarHBondContact O-N 2.83Å; A165-K190 HydrophobicContact CB-CD 3.68Å; A165-K190 HydrophobicContact CB-CG 4.2Å; A165-T191 HydrophobicContact CB-CG2 3.81Å; A165-W194 HydrophobicContact CB-CH2 3.55Å; A165-W194 HydrophobicContact CB-CZ2 4.08Å; A165-W194 HydrophobicContact CB-CZ3 4.31Å
166	P	89.1	Confident	91.8	Very high	97 Å²	97	63.8 Å²	63.8	63%	0.63	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-29.6	-179.4	-26.3	35.5	0	0	0	114.2	D168 M169 R170	P166-D168 VanDerWaalsContact C-N 3.32Å; P166-D168 PolarHBondContact O-N 3.04Å; P166-M169 PolarHBondContact O-N 2.92Å; P166-R170 PolarHBondContact O-N 3.02Å
167	E	86.8	Confident	91.2	Very high	148 Å²	148	66 Å²	66	69%	0.692	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-31.7	179.2	-172.3	171.8	-172.2	0	0	112.7	A165 R170	A165-E167 PolarHBondContact O-N 3.19Å; A165-E167 VanDerWaalsContact O-N 3.15Å; E167-R170 WeakPolarHBondContact O-CD 3.22Å; E167-R170 VanDerWaalsContact O-CG 3.28Å; E167-R170 WeakPolarHBondContact O-CG 3.25Å
168	D	84.8	Confident	90.4	Very high	46 Å²	46	70.2 Å²	70.2	25%	0.246	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-17.3	178.6	-46.3	-58.2	0	0	0	112.9	V164 A165 P166 R170 K190	V164-D168 HydrophobicContact CG1-CB 3.94Å; A165-D168 WeakPolarHBondContact CB-OD2 3.31Å; A165-D168 PolarHBondContact O-N 3.04Å; A165-D168 VanDerWaalsContact O-N 3.11Å; P166-D168 VanDerWaalsContact C-N 3.32Å; P166-D168 PolarHBondContact O-N 3.04Å; D168-R170 VanDerWaalsContact C-N 3.33Å; D168-K190 IonicContact OD1-NZ 3.85Å; D168-K190 PolarHBondContact OD1-NZ 2.92Å; D168-K190 WeakPolarHBondContact OD2-CE 3.49Å; D168-K190 IonicContact OD2-NZ 2.72Å; D168-K190 PolarHBondContact OD2-NZ 3.28Å
169	M	82.9	Confident	89.5	Confident	58 Å²	58	71.6 Å²	71.6	29%	0.286	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	4.7	178.2	-66.4	-67.5	-52.7	0	0	112.2	V164 A165 P166 D217	V164-M169 HydrophobicContact CB-CG 3.89Å; V164-M169 HydrophobicContact CB-SD 3.81Å; V164-M169 HydrophobicContact CG1-CG 3.64Å; V164-M169 HydrophobicContact CG1-SD 3.66Å; V164-M169 HydrophobicContact CG2-SD 4.32Å; A165-M169 WeakPolarHBondContact O-CG 3.45Å; A165-M169 PolarHBondContact O-N 2.83Å; P166-M169 PolarHBondContact O-N 2.92Å; M169-D217 HydrophobicContact CE-CB 3.67Å; M169-D217 WeakPolarHBondContact CE-OD2 3.41Å; M169-D217 HydrophobicContact SD-CB 4Å
170	R	86.9	Confident	88	Confident	68 Å²	68	75.7 Å²	75.7	26%	0.257	41%	0.405	S	S	.	.	S	Bend	trans	-72.1	142.3	-178.6	75.5	-177.4	172.8	84.5	-6.3	110.5	P166 E167 D168 D172 E177 P178 T179	P166-R170 PolarHBondContact O-N 3.02Å; E167-R170 WeakPolarHBondContact O-CD 3.22Å; E167-R170 VanDerWaalsContact O-CG 3.28Å; E167-R170 WeakPolarHBondContact O-CG 3.25Å; D168-R170 VanDerWaalsContact C-N 3.33Å; R170-D172 PolarHBondContact O-N 3.41Å; R170-E177 VanDerWaalsContact CZ-O 3.29Å; R170-E177 PolarHBondContact NH1-O 3.07Å; R170-E177 PolarHBondContact NH2-O 2.96Å; R170-P178 PolarHBondContact NH2-O 3.28Å; R170-T179 HydrophobicContact CG-CG2 3.69Å; R170-T179 VanDerWaalsContact CZ-CG2 3.48Å
171	D	87.8	Confident	86	Confident	124 Å²	124	79.7 Å²	79.7	66%	0.663	44%	0.437	S	S	*	.			trans	-60.7	138.7	169.8	-60.7	-33.1	0	0	0	109.5	L173	D171-L173 HydrophobicContact CB-CD1 3.75Å; D171-L173 HydrophobicContact CB-CG 3.72Å; D171-L173 PolarHBondContact O-N 2.64Å
172	D	88.3	Confident	84	Confident	94 Å²	94	84 Å²	84	50%	0.503	46%	0.46	S	S	.	.	S	Bend	trans	-77.6	67.9	178.7	-168.2	30.2	0	0	0	111.2	R170 P178 T179	R170-D172 PolarHBondContact O-N 3.41Å; D172-P178 WeakPolarHBondContact OD1-CA 3.36Å; D172-T179 HydrophobicContact CB-CG2 4.17Å; D172-T179 WeakPolarHBondContact CB-OG1 3.24Å; D172-T179 VanDerWaalsContact CG-OG1 3.28Å; D172-T179 PolarHBondContact OD1-N 2.91Å; D172-T179 PolarHBondContact OD1-OG1 2.8Å
173	L	91.1	Very high	81.8	Confident	146 Å²	146	88.3 Å²	88.3	76%	0.764	48%	0.482	S	S	*	.			trans	-113	-3.6	-175.9	-60.4	178	0	0	0	113.2	D171	D171-L173 HydrophobicContact CB-CD1 3.75Å; D171-L173 HydrophobicContact CB-CG 3.72Å; D171-L173 PolarHBondContact O-N 2.64Å
174	I	90.7	Very high	79.7	Confident	70 Å²	70	97.5 Å²	97.5	36%	0.359	53%	0.525	S	S	.	.			trans	-98.4	97.6	-177.1	-52.6	176.2	0	0	0	108.5	N176 E177	I174-N176 VanDerWaalsContact C-N 3.28Å; I174-N176 VanDerWaalsContact CG2-OD1 3.29Å; I174-N176 WeakPolarHBondContact CG2-OD1 3.08Å; I174-N176 PolarHBondContact O-N 3.17Å; I174-E177 HydrophobicContact CB-CB 4.35Å; I174-E177 HydrophobicContact CG2-CB 3.81Å; I174-E177 HydrophobicContact CG2-CG 4.35Å; I174-E177 CarbonylContact O-C 3.6Å; I174-E177 PolarHBondContact O-N 3.37Å; I174-E177 VanDerWaalsContact O-O 3.1Å
175	E	89.4	Confident	77.5	Confident	195 Å²	195	100.9 Å²	100.9	91%	0.911	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-39.1	-172	-174.8	-177	176.6	0	0	113.9	E177	E175-E177 VanDerWaalsContact C-N 3.35Å
176	N	91.6	Very high	75.7	Confident	131 Å²	131	103.7 Å²	103.7	70%	0.701	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-4.8	-178	64	-54.7	0	0	0	113.9	I174	I174-N176 VanDerWaalsContact C-N 3.28Å; I174-N176 VanDerWaalsContact CG2-OD1 3.29Å; I174-N176 WeakPolarHBondContact CG2-OD1 3.08Å; I174-N176 PolarHBondContact O-N 3.17Å
177	E	85.8	Confident	74.4	Confident	111 Å²	111	100 Å²	100	52%	0.519	54%	0.544	S	S	.	.	S	Bend	trans	-139.1	73.5	177.8	-65.5	178.5	-170.6	0	0	108.1	R170 I174 E175	R170-E177 VanDerWaalsContact CZ-O 3.29Å; R170-E177 PolarHBondContact NH1-O 3.07Å; R170-E177 PolarHBondContact NH2-O 2.96Å; I174-E177 HydrophobicContact CB-CB 4.35Å; I174-E177 HydrophobicContact CG2-CB 3.81Å; I174-E177 HydrophobicContact CG2-CG 4.35Å; I174-E177 CarbonylContact O-C 3.6Å; I174-E177 PolarHBondContact O-N 3.37Å; I174-E177 VanDerWaalsContact O-O 3.1Å; E175-E177 VanDerWaalsContact C-N 3.35Å
178	P	82.3	Confident	73.5	Confident	89 Å²	89	94.7 Å²	94.7	58%	0.578	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-60.4	145.1	177.1	26.2	-34	0	0	0	109.8	R170 D172 A180	R170-P178 PolarHBondContact NH2-O 3.28Å; D172-P178 WeakPolarHBondContact OD1-CA 3.36Å; P178-A180 PolarHBondContact O-N 3.48Å
179	T	78.3	Confident	73.3	Confident	38 Å²	38	93.3 Å²	93.3	23%	0.233	51%	0.512	C	S	.	.	P	Polyproline II helix	trans	-62.3	133	169.8	49.7	0	0	0	0	108.9	R170 D172 C181	R170-T179 HydrophobicContact CG-CG2 3.69Å; R170-T179 VanDerWaalsContact CZ-CG2 3.48Å; D172-T179 HydrophobicContact CB-CG2 4.17Å; D172-T179 WeakPolarHBondContact CB-OG1 3.24Å; D172-T179 VanDerWaalsContact CG-OG1 3.28Å; D172-T179 PolarHBondContact OD1-N 2.91Å; D172-T179 PolarHBondContact OD1-OG1 2.8Å; T179-C181 PolarHBondContact O-N 2.9Å; T179-C181 VanDerWaalsContact O-N 3.1Å
180	A	67.5	Low	73.6	Confident	86 Å²	86	93.3 Å²	93.3	71%	0.711	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-62.7	118	168.9	0	0	0	0	0	106.7	P178 L182	P178-A180 PolarHBondContact O-N 3.48Å; A180-L182 VanDerWaalsContact C-N 3.3Å; A180-L182 PolarHBondContact O-N 2.98Å
181	C	56.8	Low	73.9	Confident	123 Å²	123	90.1 Å²	90.1	83%	0.831	50%	0.498	S	S	*	.			trans	-58.6	103.5	164.3	-65.6	0	0	0	0	105.9	T179 D183	T179-C181 PolarHBondContact O-N 2.9Å; T179-C181 VanDerWaalsContact O-N 3.1Å; C181-D183 PolarHBondContact O-N 3.22Å
182	L	54.6	Low	74.2	Confident	90 Å²	90	84.9 Å²	84.9	47%	0.471	47%	0.469	S	S	.	.			trans	-52.7	115.7	173.4	-73.7	167	0	0	0	106.2	A180 E184 D188	A180-L182 VanDerWaalsContact C-N 3.3Å; A180-L182 PolarHBondContact O-N 2.98Å; L182-E184 PolarHBondContact O-N 3.48Å; L182-D188 HydrophobicContact CD2-CB 4.22Å
183	D	50.3	Low	74.4	Confident	107 Å²	107	82.8 Å²	82.8	57%	0.572	46%	0.462	S	S	*	.			trans	-58.4	127.3	172.5	-158.8	-5.8	0	0	0	105.9	C181 T185 S186	C181-D183 PolarHBondContact O-N 3.22Å; D183-T185 VanDerWaalsContact CG-OG1 3.29Å; D183-T185 PolarHBondContact O-N 3.35Å; D183-T185 PolarHBondContact OD2-OG1 2.97Å; D183-S186 PolarHBondContact O-N 3.39Å; D183-S186 PolarHBondContact O-OG 3.48Å
184	E	46.5	Very low	74.6	Confident	197 Å²	197	77.1 Å²	77.1	92%	0.921	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-14.9	-175.9	-72.1	-170.7	161.7	0	0	112	L182	L182-E184 PolarHBondContact O-N 3.48Å
185	T	45.5	Very low	74.9	Confident	99 Å²	99	73.9 Å²	73.9	61%	0.607	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-23.3	179.4	64.3	0	0	0	0	114.8	D183 A187 R600	D183-T185 VanDerWaalsContact CG-OG1 3.29Å; D183-T185 PolarHBondContact O-N 3.35Å; D183-T185 PolarHBondContact OD2-OG1 2.97Å; T185-A187 PolarHBondContact O-N 3.21Å; T185-R600 PolarHBondContact O-NH1 3.08Å
186	S	53.7	Low	75.1	Confident	61 Å²	61	66.1 Å²	66.1	43%	0.427	38%	0.377	S	S	.	.	S	Bend	trans	-96.4	95.5	176.9	64.1	0	0	0	0	110.3	D183 D188	D183-S186 PolarHBondContact O-N 3.39Å; D183-S186 PolarHBondContact O-OG 3.48Å; S186-D188 PolarHBondContact O-N 3.33Å
187	A	59.9	Low	75.3	Confident	20 Å²	20	62.7 Å²	62.7	17%	0.165	36%	0.364	C	S	.	.			trans	-55.4	114.5	169.1	0	0	0	0	0	109.4	T185 E189 V223	T185-A187 PolarHBondContact O-N 3.21Å; A187-E189 HydrophobicContact CB-CG 4.06Å; A187-E189 WeakPolarHBondContact O-CG 3.38Å; A187-E189 PolarHBondContact O-N 2.89Å; A187-E189 VanDerWaalsContact O-N 3.12Å; A187-V223 HydrophobicContact CB-CG2 3.85Å
188	D	69.8	Low	75.9	Confident	36 Å²	36	57.5 Å²	57.5	19%	0.193	34%	0.339	C	S	.	.			trans	-74.9	101.3	174.3	-171	-11.3	0	0	0	109.4	L182 S186 K190	L182-D188 HydrophobicContact CD2-CB 4.22Å; S186-D188 PolarHBondContact O-N 3.33Å; D188-K190 WeakPolarHBondContact OD1-CB 3.45Å; D188-K190 WeakPolarHBondContact OD1-CE 3.44Å; D188-K190 WeakPolarHBondContact OD1-CG 3.3Å; D188-K190 PolarHBondContact OD1-N 3.48Å; D188-K190 IonicContact OD1-NZ 3.91Å; D188-K190 WeakPolarHBondContact OD2-CE 3.25Å; D188-K190 IonicContact OD2-NZ 3.39Å; D188-K190 PolarHBondContact OD2-NZ 3.17Å
189	E	79.6	Confident	76.6	Confident	16 Å²	16	53.6 Å²	53.6	8%	0.075	31%	0.313	C	S	.	.			trans	-104.3	14.9	-173.4	-63.8	170.8	-173.5	0	0	112.2	A187 T191 W192 S193 K226 N551 R600	A187-E189 HydrophobicContact CB-CG 4.06Å; A187-E189 WeakPolarHBondContact O-CG 3.38Å; A187-E189 PolarHBondContact O-N 2.89Å; A187-E189 VanDerWaalsContact O-N 3.12Å; E189-T191 PolarHBondContact O-N 3.22Å; E189-W192 PolarHBondContact O-N 3.13Å; E189-S193 PolarHBondContact O-N 3.05Å; E189-S193 VanDerWaalsContact O-N 3.14Å; E189-S193 PolarHBondContact O-OG 3.39Å; E189-K226 HydrophobicContact CG-CG 4.47Å; E189-K226 WeakPolarHBondContact OE1-CE 3.42Å; E189-K226 IonicContact OE1-NZ 3.55Å; E189-K226 PolarHBondContact OE1-NZ 3.33Å; E189-K226 WeakPolarHBondContact OE2-CE 3.36Å; E189-K226 IonicContact OE2-NZ 3.77Å; E189-K226 PolarHBondContact OE2-NZ 3.33Å; E189-N551 VanDerWaalsContact OE2-CB 3.27Å; E189-N551 WeakPolarHBondContact OE2-CB 3.31Å; E189-N551 PolarHBondContact OE2-ND2 3.3Å; E189-R600 IonicContact OE1-NH2 3.02Å
190	K	88.3	Confident	77.4	Confident	58 Å²	58	54.9 Å²	54.9	25%	0.252	32%	0.321	S	S	.	.	H	α-helix	trans	-62	-42.5	-169.2	78.5	-178.2	83.9	-176.5	0	113.3	A165 D168 D188 S193 W194	A165-K190 HydrophobicContact CB-CD 3.68Å; A165-K190 HydrophobicContact CB-CG 4.2Å; D168-K190 IonicContact OD1-NZ 3.85Å; D168-K190 PolarHBondContact OD1-NZ 2.92Å; D168-K190 WeakPolarHBondContact OD2-CE 3.49Å; D168-K190 IonicContact OD2-NZ 2.72Å; D168-K190 PolarHBondContact OD2-NZ 3.28Å; D188-K190 WeakPolarHBondContact OD1-CB 3.45Å; D188-K190 WeakPolarHBondContact OD1-CE 3.44Å; D188-K190 WeakPolarHBondContact OD1-CG 3.3Å; D188-K190 PolarHBondContact OD1-N 3.48Å; D188-K190 IonicContact OD1-NZ 3.91Å; D188-K190 WeakPolarHBondContact OD2-CE 3.25Å; D188-K190 IonicContact OD2-NZ 3.39Å; D188-K190 PolarHBondContact OD2-NZ 3.17Å; K190-S193 WeakPolarHBondContact O-CB 3.13Å; K190-S193 PolarHBondContact O-N 2.93Å; K190-S193 VanDerWaalsContact O-N 3.14Å; K190-W194 HydrophobicContact CD-CZ2 4.09Å; K190-W194 HydrophobicContact CG-CZ2 4.16Å; K190-W194 PolarHBondContact O-N 3.45Å; K190-W194 PolarHBondContact O-NE1 3.42Å
191	T	93.5	Very high	78.8	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.012	31%	0.311	C	S	.	.	H	α-helix	trans	-71.6	-34.3	-174.5	55.1	0	0	0	0	111.6	P162 L163 A165 E189 S193 W194 W195	P162-T191 HydrophobicContact CG-CG2 4.29Å; P162-T191 WeakPolarHBondContact O-CB 3.15Å; P162-T191 WeakPolarHBondContact O-CG2 3.22Å; P162-T191 PolarHBondContact O-OG1 3.09Å; L163-T191 PolarHBondContact O-OG1 3.2Å; A165-T191 HydrophobicContact CB-CG2 3.81Å; E189-T191 PolarHBondContact O-N 3.22Å; T191-S193 VanDerWaalsContact C-N 3.34Å; T191-W194 HydrophobicContact CG2-CE3 4.23Å; T191-W194 HydrophobicContact CG2-CH2 4.35Å; T191-W194 HydrophobicContact CG2-CZ3 4.1Å; T191-W194 WeakPolarHBondContact O-CB 3.42Å; T191-W194 PolarHBondContact O-N 2.93Å; T191-W195 PolarHBondContact O-N 3.46Å
192	W	93.9	Very high	80.7	Confident	14 Å²	14	49.5 Å²	49.5	5%	0.053	27%	0.272	C	S	.	.	H	α-helix	trans	-63.5	-41.8	170.1	178.9	90.2	0	0	0	110.8	E189 W194 W195 H196 K226 W227 E230 V553	E189-W192 PolarHBondContact O-N 3.13Å; W192-W194 VanDerWaalsContact C-N 3.33Å; W192-W194 PolarHBondContact O-N 3.21Å; W192-W195 WeakPolarHBondContact O-CB 3.34Å; W192-W195 PolarHBondContact O-N 3.1Å; W192-H196 HydrophobicContact CD2-CB 4.42Å; W192-H196 HydrophobicContact CE3-CB 4.2Å; W192-H196 HydrophobicContact CH2-CB 3.98Å; W192-H196 AromaticContact CH2-CG 3.79Å; W192-H196 HydrophobicContact CZ2-CB 4.21Å; W192-H196 HydrophobicContact CZ3-CB 3.97Å; W192-H196 WeakPolarHBondContact O-CB 3.15Å; W192-H196 PolarHBondContact O-N 3.21Å; W192-K226 HydrophobicContact CG-CB 4.11Å; W192-K226 PolarHBondContact NE1-O 3.28Å; W192-W227 HydrophobicContact CB-CH2 4.3Å; W192-W227 HydrophobicContact CB-CZ2 4.03Å; W192-E230 PolarHBondContact NE1-OE1 2.85Å; W192-V553 HydrophobicContact CH2-CG2 3.87Å; W192-V553 HydrophobicContact CZ2-CG2 4.11Å
193	S	92.7	Very high	82.7	Confident	49 Å²	49	49.6 Å²	49.6	34%	0.343	27%	0.272	S	S	.	.	H	α-helix	trans	-61.5	-38.4	175.4	-65.1	0	0	0	0	112.4	E189 K190 T191 W195 H196 S197	E189-S193 PolarHBondContact O-N 3.05Å; E189-S193 VanDerWaalsContact O-N 3.14Å; E189-S193 PolarHBondContact O-OG 3.39Å; K190-S193 WeakPolarHBondContact O-CB 3.13Å; K190-S193 PolarHBondContact O-N 2.93Å; K190-S193 VanDerWaalsContact O-N 3.14Å; T191-S193 VanDerWaalsContact C-N 3.34Å; S193-W195 PolarHBondContact O-N 3.19Å; S193-H196 PolarHBondContact O-N 3.08Å; S193-S197 WeakPolarHBondContact O-CB 3.35Å; S193-S197 PolarHBondContact O-N 3.32Å; S193-S197 PolarHBondContact O-OG 3.46Å
194	W	95.7	Very high	84.8	Confident	28 Å²	28	45.5 Å²	45.5	11%	0.106	25%	0.249	C	C	.	.	H	α-helix	trans	-58.9	-47.8	173.9	-55.5	-9.8	0	0	0	111.3	L132 G134 P135 A165 K190 T191 W192 F198	L132-W194 HydrophobicContact CD1-CB 4.19Å; G134-W194 VanDerWaalsContact C-CD2 3.49Å; P135-W194 VanDerWaalsContact CA-CD1 3.49Å; A165-W194 HydrophobicContact CB-CH2 3.55Å; A165-W194 HydrophobicContact CB-CZ2 4.08Å; A165-W194 HydrophobicContact CB-CZ3 4.31Å; K190-W194 HydrophobicContact CD-CZ2 4.09Å; K190-W194 HydrophobicContact CG-CZ2 4.16Å; K190-W194 PolarHBondContact O-N 3.45Å; K190-W194 PolarHBondContact O-NE1 3.42Å; T191-W194 HydrophobicContact CG2-CE3 4.23Å; T191-W194 HydrophobicContact CG2-CH2 4.35Å; T191-W194 HydrophobicContact CG2-CZ3 4.1Å; T191-W194 WeakPolarHBondContact O-CB 3.42Å; T191-W194 PolarHBondContact O-N 2.93Å; W192-W194 VanDerWaalsContact C-N 3.33Å; W192-W194 PolarHBondContact O-N 3.21Å; W194-F198 VanDerWaalsContact O-CB 3.27Å; W194-F198 WeakPolarHBondContact O-CB 3.44Å; W194-F198 PolarHBondContact O-N 2.87Å
195	W	96.8	Very high	87.2	Confident	1 Å²	1	37.7 Å²	37.7	0%	0.004	21%	0.214	C	C	.	.	H	α-helix	trans	-62.5	-43.9	176.2	167.3	-121.6	0	0	0	111.8	I159 V161 T191 W192 S193 F198 R199 I208 L210 W227 E230 P231	I159-W195 HydrophobicContact CB-CE3 4.05Å; I159-W195 HydrophobicContact CB-CZ3 3.67Å; I159-W195 HydrophobicContact CG1-CE3 4.49Å; I159-W195 HydrophobicContact CG1-CZ3 3.74Å; I159-W195 HydrophobicContact CG2-CE3 4.01Å; I159-W195 HydrophobicContact CG2-CZ3 4.1Å; V161-W195 HydrophobicContact CG2-CB 4.36Å; T191-W195 PolarHBondContact O-N 3.46Å; W192-W195 WeakPolarHBondContact O-CB 3.34Å; W192-W195 PolarHBondContact O-N 3.1Å; S193-W195 PolarHBondContact O-N 3.19Å; W195-F198 HydrophobicContact CZ3-CD1 4.43Å; W195-F198 PolarHBondContact O-N 2.73Å; W195-R199 HydrophobicContact CH2-CB 4.13Å; W195-R199 HydrophobicContact CZ2-CB 4.11Å; W195-R199 HydrophobicContact CZ3-CB 4.34Å; W195-R199 WeakPolarHBondContact O-CG 3.23Å; W195-R199 PolarHBondContact O-N 3.23Å; W195-I208 HydrophobicContact CH2-CG2 3.95Å; W195-I208 HydrophobicContact CZ3-CG2 3.9Å; W195-L210 HydrophobicContact CD2-CD1 3.87Å; W195-L210 HydrophobicContact CE3-CD1 4.04Å; W195-L210 HydrophobicContact CG-CD1 4.11Å; W195-L210 HydrophobicContact CH2-CB 4.36Å; W195-L210 HydrophobicContact CZ2-CB 4.15Å; W195-W227 HydrophobicContact CB-CH2 4.14Å; W195-W227 HydrophobicContact CB-CZ3 4.03Å; W195-W227 AromaticContact CD1-CZ3 3.68Å; W195-W227 AromaticContact CG-CZ3 3.98Å; W195-W227 HydrophobicContact CG-CZ3 3.98Å; W195-E230 PolarHBondContact NE1-OE2 3.3Å; W195-P231 HydrophobicContact CH2-CG 4.37Å; W195-P231 HydrophobicContact CZ2-CG 3.72Å
196	H	94.9	Very high	89.5	Confident	33 Å²	33	41.4 Å²	41.4	15%	0.153	22%	0.221	C	C	.	.	H	α-helix	trans	-62.1	-49.4	179.4	179.3	66.4	0	0	0	112.5	W192 S193 F198 R199 T200 V553	W192-H196 HydrophobicContact CD2-CB 4.42Å; W192-H196 HydrophobicContact CE3-CB 4.2Å; W192-H196 HydrophobicContact CH2-CB 3.98Å; W192-H196 AromaticContact CH2-CG 3.79Å; W192-H196 HydrophobicContact CZ2-CB 4.21Å; W192-H196 HydrophobicContact CZ3-CB 3.97Å; W192-H196 WeakPolarHBondContact O-CB 3.15Å; W192-H196 PolarHBondContact O-N 3.21Å; S193-H196 PolarHBondContact O-N 3.08Å; H196-F198 VanDerWaalsContact C-N 3.34Å; H196-F198 PolarHBondContact O-N 3.08Å; H196-R199 PolarHBondContact ND1-NH2 2.96Å; H196-R199 VanDerWaalsContact ND1-NH2 3.17Å; H196-R199 WeakPolarHBondContact O-CG 3.1Å; H196-T200 WeakPolarHBondContact O-CB 3.37Å; H196-T200 PolarHBondContact O-N 2.93Å; H196-T200 PolarHBondContact O-OG1 3.33Å; H196-V553 VanDerWaalsContact CE1-CG2 3.45Å; H196-V553 WeakPolarHBondContact CE1-CG2 3.27Å
197	S	95.2	Very high	91.5	Very high	59 Å²	59	40 Å²	40	41%	0.413	21%	0.207	S	C	.	.	H	α-helix	trans	-60.6	-44.5	175	-61.3	0	0	0	0	111.3	S193 T200 L201	S193-S197 WeakPolarHBondContact O-CB 3.35Å; S193-S197 PolarHBondContact O-N 3.32Å; S193-S197 PolarHBondContact O-OG 3.46Å; S197-T200 PolarHBondContact O-N 3.14Å; S197-L201 VanDerWaalsContact O-CG 3.31Å; S197-L201 WeakPolarHBondContact O-CG 3.4Å; S197-L201 PolarHBondContact O-N 3.15Å
198	F	97.9	Very high	93.4	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.009	20%	0.201	C	C	.	.	H	α-helix	trans	-61.1	-52.4	179.8	-173.9	-92.8	0	0	0	112.6	L132 N137 L140 A141 L144 I159 W194 W195 H196 T200 L201 C202 I208	L132-F198 HydrophobicContact CD1-CB 3.96Å; L132-F198 HydrophobicContact CD1-CG 4.22Å; L132-F198 HydrophobicContact CD2-CD2 3.74Å; L132-F198 HydrophobicContact CD2-CE2 4.03Å; L132-F198 HydrophobicContact CD2-CG 4.07Å; N137-F198 HydrophobicContact CB-CD2 3.76Å; N137-F198 HydrophobicContact CB-CE2 4.3Å; L140-F198 HydrophobicContact CB-CE2 4.41Å; L140-F198 HydrophobicContact CD2-CE2 4.04Å; L140-F198 HydrophobicContact CG-CE2 3.92Å; A141-F198 HydrophobicContact CB-CD2 3.88Å; A141-F198 HydrophobicContact CB-CE2 3.72Å; A141-F198 HydrophobicContact CB-CZ 4.36Å; L144-F198 HydrophobicContact CD2-CE1 4.1Å; L144-F198 HydrophobicContact CD2-CZ 3.78Å; I159-F198 HydrophobicContact CD1-CD1 4.47Å; I159-F198 HydrophobicContact CD1-CE1 3.58Å; I159-F198 HydrophobicContact CD1-CZ 3.94Å; I159-F198 HydrophobicContact CG1-CD1 4.13Å; I159-F198 HydrophobicContact CG1-CE1 3.66Å; I159-F198 HydrophobicContact CG1-CZ 4.47Å; I159-F198 HydrophobicContact CG2-CD1 4.31Å; I159-F198 HydrophobicContact CG2-CE1 4.4Å; W194-F198 VanDerWaalsContact O-CB 3.27Å; W194-F198 WeakPolarHBondContact O-CB 3.44Å; W194-F198 PolarHBondContact O-N 2.87Å; W195-F198 HydrophobicContact CZ3-CD1 4.43Å; W195-F198 PolarHBondContact O-N 2.73Å; H196-F198 VanDerWaalsContact C-N 3.34Å; H196-F198 PolarHBondContact O-N 3.08Å; F198-T200 VanDerWaalsContact C-N 3.27Å; F198-T200 PolarHBondContact O-N 2.94Å; F198-L201 PolarHBondContact O-N 3.36Å; F198-C202 PolarHBondContact O-N 3.28Å; F198-C202 VanDerWaalsContact O-N 3.1Å; F198-C202 PolarHBondContact O-SG 3.4Å; F198-I208 HydrophobicContact CD1-CG2 4.41Å; F198-I208 HydrophobicContact CE1-CG2 3.99Å
199	R	96.4	Very high	94.7	Very high	7 Å²	7	38 Å²	38	3%	0.026	19%	0.194	C	C	.	.	H	α-helix	trans	-66.5	-30.5	-179.2	75.7	-178.9	-177.4	-109.8	13.8	112.6	W195 H196 C202 D203 Y204 E230 S484	W195-R199 HydrophobicContact CH2-CB 4.13Å; W195-R199 HydrophobicContact CZ2-CB 4.11Å; W195-R199 HydrophobicContact CZ3-CB 4.34Å; W195-R199 WeakPolarHBondContact O-CG 3.23Å; W195-R199 PolarHBondContact O-N 3.23Å; H196-R199 PolarHBondContact ND1-NH2 2.96Å; H196-R199 VanDerWaalsContact ND1-NH2 3.17Å; H196-R199 WeakPolarHBondContact O-CG 3.1Å; R199-C202 CarbonylContact O-C 3.54Å; R199-C202 PolarHBondContact O-N 3.43Å; R199-D203 PolarHBondContact O-N 3.36Å; R199-Y204 PolarHBondContact O-N 3.46Å; R199-E230 IonicContact CZ-OE1 3.68Å; R199-E230 IonicContact CZ-OE2 3.57Å; R199-E230 VanDerWaalsContact CZ-OE2 3.22Å; R199-E230 IonicContact NE-OE2 3Å; R199-E230 IonicContact NH1-OE1 3.27Å; R199-E230 PolarHBondContact NH1-OE1 2.7Å; R199-E230 IonicContact NH1-OE2 2.75Å; R199-E230 PolarHBondContact NH1-OE2 3.16Å; R199-E230 IonicContact NH2-OE1 3.6Å; R199-E230 PolarHBondContact NH2-OE1 3.43Å; R199-E230 IonicContact NH2-OE2 3.59Å; R199-S484 PolarHBondContact NH2-OG 3Å
200	T	95.9	Very high	95.6	Very high	65 Å²	65	37.2 Å²	37.2	40%	0.399	19%	0.19	S	C	.	.	H	α-helix	trans	-69.4	-44.1	176.5	-61.2	0	0	0	0	110.9	H196 S197 F198 C202 D203	H196-T200 WeakPolarHBondContact O-CB 3.37Å; H196-T200 PolarHBondContact O-N 2.93Å; H196-T200 PolarHBondContact O-OG1 3.33Å; S197-T200 PolarHBondContact O-N 3.14Å; F198-T200 VanDerWaalsContact C-N 3.27Å; F198-T200 PolarHBondContact O-N 2.94Å; T200-C202 PolarHBondContact O-N 3.04Å; T200-D203 PolarHBondContact O-N 3.15Å
201	L	97.3	Very high	96	Very high	95 Å²	95	34.5 Å²	34.5	50%	0.497	18%	0.178	S	C	.	.	H	α-helix	trans	-60.7	-32.3	172.8	-73.2	169.3	0	0	0	112.6	A138 A141 S197 F198 D203	A138-L201 HydrophobicContact CB-CD1 4.02Å; A141-L201 HydrophobicContact CB-CB 3.89Å; A141-L201 HydrophobicContact CB-CD1 4.22Å; S197-L201 VanDerWaalsContact O-CG 3.31Å; S197-L201 WeakPolarHBondContact O-CG 3.4Å; S197-L201 PolarHBondContact O-N 3.15Å; F198-L201 PolarHBondContact O-N 3.36Å; L201-D203 PolarHBondContact O-N 2.8Å
202	C	96.9	Very high	96.2	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.007	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	12.6	174.1	-62.2	0	0	0	0	114.1	L145 F198 R199 T200 Y204 N205 I208	L145-C202 HydrophobicContact CD1-CB 4.31Å; F198-C202 PolarHBondContact O-N 3.28Å; F198-C202 VanDerWaalsContact O-N 3.1Å; F198-C202 PolarHBondContact O-SG 3.4Å; R199-C202 CarbonylContact O-C 3.54Å; R199-C202 PolarHBondContact O-N 3.43Å; T200-C202 PolarHBondContact O-N 3.04Å; C202-Y204 VanDerWaalsContact C-N 3.29Å; C202-Y204 PolarHBondContact O-N 2.99Å; C202-N205 WeakPolarHBondContact O-CB 3.41Å; C202-N205 PolarHBondContact O-N 3.2Å; C202-I208 HydrophobicContact CB-CD1 3.32Å; C202-I208 VanDerWaalsContact SG-CD1 3.53Å
203	D	95.2	Very high	96.3	Very high	91 Å²	91	35.9 Å²	35.9	49%	0.487	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	48.9	178.2	-176.3	25.6	0	0	0	112.3	R199 T200 L201 N205 R491	R199-D203 PolarHBondContact O-N 3.36Å; T200-D203 PolarHBondContact O-N 3.15Å; L201-D203 PolarHBondContact O-N 2.8Å; D203-N205 PolarHBondContact O-N 2.98Å; D203-R491 VanDerWaalsContact CG-NH2 3.3Å; D203-R491 PolarHBondContact O-NH1 3.46Å; D203-R491 IonicContact OD1-CZ 2.72Å; D203-R491 IonicContact OD1-NH1 3.03Å; D203-R491 PolarHBondContact OD1-NH1 2.97Å; D203-R491 IonicContact OD1-NH2 2.69Å; D203-R491 PolarHBondContact OD1-NH2 3.46Å; D203-R491 IonicContact OD2-CZ 3.92Å; D203-R491 IonicContact OD2-NH1 3.17Å; D203-R491 IonicContact OD2-NH2 3.3Å; D203-R491 PolarHBondContact OD2-NH2 3.12Å
204	Y	95.8	Very high	96.5	Very high	21 Å²	21	33.6 Å²	33.6	8%	0.082	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	30.7	175.7	-73.5	-105.3	0	0	0	114	R199 C202 K206 Y487 N488	R199-Y204 PolarHBondContact O-N 3.46Å; C202-Y204 VanDerWaalsContact C-N 3.29Å; C202-Y204 PolarHBondContact O-N 2.99Å; Y204-K206 PolarHBondContact O-N 3.02Å; Y204-K206 VanDerWaalsContact O-N 3.16Å; Y204-Y487 HydrophobicContact CD1-CD1 4.07Å; Y204-Y487 HydrophobicContact CD1-CE1 4.4Å; Y204-Y487 HydrophobicContact CE1-CD1 4.43Å; Y204-Y487 HydrophobicContact CG-CD1 4.41Å; Y204-Y487 HydrophobicContact CG-CE1 4.32Å; Y204-N488 WeakPolarHBondContact CB-OD1 3.34Å; Y204-N488 PolarHBondContact O-ND2 3.2Å; Y204-N488 PolarHBondContact O-OD1 3.21Å
205	N	95.8	Very high	96.3	Very high	33 Å²	33	33.2 Å²	33.2	18%	0.176	17%	0.174	C	C	.	.			trans	-55.7	123.3	-175.4	-168.4	-66.5	0	0	0	112.1	C202 D203 R207 I208	C202-N205 WeakPolarHBondContact O-CB 3.41Å; C202-N205 PolarHBondContact O-N 3.2Å; D203-N205 PolarHBondContact O-N 2.98Å; N205-R207 PolarHBondContact O-N 3.04Å; N205-R207 WeakPolarHBondContact OD1-CB 3.28Å; N205-R207 PolarHBondContact OD1-N 3.47Å; N205-I208 HydrophobicContact CB-CD1 4.07Å; N205-I208 HydrophobicContact CB-CG1 4.23Å; N205-I208 WeakPolarHBondContact O-CB 3.43Å; N205-I208 PolarHBondContact O-N 2.82Å
206	K	94.7	Very high	95.9	Very high	177 Å²	177	35.7 Å²	35.7	77%	0.77	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-17.7	-176.4	69	-179.9	-178.9	-179.6	0	115.8	Y204 I208	Y204-K206 PolarHBondContact O-N 3.02Å; Y204-K206 VanDerWaalsContact O-N 3.16Å; K206-I208 VanDerWaalsContact C-N 3.31Å
207	R	96.3	Very high	95.3	Very high	31 Å²	31	39 Å²	39	12%	0.117	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-11.3	176.4	-63.8	174.4	64.4	-172.9	-0.1	112.3	H153 S155 N156 F157 N205	H153-R207 PolarHBondContact CE1-NH2 3.43Å; H153-R207 PolarHBondContact ND1-NH2 3.13Å; H153-R207 PolarHBondContact NE2-NH2 3.33Å; H153-R207 VanDerWaalsContact O-CZ 3.24Å; H153-R207 PolarHBondContact O-NH1 3.06Å; H153-R207 PolarHBondContact O-NH2 3.08Å; H153-R207 VanDerWaalsContact O-NH2 3.17Å; S155-R207 VanDerWaalsContact N-NH2 3.19Å; S155-R207 PolarHBondContact O-NE 3.1Å; S155-R207 PolarHBondContact O-NH2 3.43Å; N156-R207 CarbonylContact C-O 3.57Å; N156-R207 WeakPolarHBondContact CA-O 3.34Å; F157-R207 HydrophobicContact CD2-CB 4.34Å; F157-R207 PolarHBondContact N-O 2.84Å; N205-R207 PolarHBondContact O-N 3.04Å; N205-R207 WeakPolarHBondContact OD1-CB 3.28Å; N205-R207 PolarHBondContact OD1-N 3.47Å
208	I	98	Very high	94.9	Very high	8 Å²	8	38.2 Å²	38.2	4%	0.041	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	110.6	178.5	-58.1	178.5	0	0	0	107.8	L144 I148 I159 W195 F198 C202 N205 K206	L144-I208 HydrophobicContact CD2-CD1 3.93Å; L144-I208 HydrophobicContact CD2-CG1 4.22Å; I148-I208 HydrophobicContact CD1-CD1 3.98Å; I148-I208 HydrophobicContact CD1-CG1 3.89Å; I159-I208 HydrophobicContact CD1-CG2 4.15Å; I159-I208 HydrophobicContact CG1-CG2 3.49Å; I159-I208 VanDerWaalsContact CG1-CG2 3.49Å; W195-I208 HydrophobicContact CH2-CG2 3.95Å; W195-I208 HydrophobicContact CZ3-CG2 3.9Å; F198-I208 HydrophobicContact CD1-CG2 4.41Å; F198-I208 HydrophobicContact CE1-CG2 3.99Å; C202-I208 HydrophobicContact CB-CD1 3.32Å; C202-I208 VanDerWaalsContact SG-CD1 3.53Å; N205-I208 HydrophobicContact CB-CD1 4.07Å; N205-I208 HydrophobicContact CB-CG1 4.23Å; N205-I208 WeakPolarHBondContact O-CB 3.43Å; N205-I208 PolarHBondContact O-N 2.82Å; K206-I208 VanDerWaalsContact C-N 3.31Å
209	C	97.6	Very high	94.3	Very high	7 Å²	7	39.4 Å²	39.4	5%	0.047	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	162.4	-176.2	-63.5	0	0	0	0	110.1	F157 W158 I159 K233	F157-C209 PolarHBondContact O-N 2.82Å; W158-C209 WeakPolarHBondContact CA-O 3.4Å; I159-C209 PolarHBondContact N-O 3.44Å; C209-K233 HydrophobicContact CB-CB 4.07Å; C209-K233 HydrophobicContact CB-CG 3.52Å
210	L	98.1	Very high	93.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	134	-177.5	-177	67.5	0	0	0	111.5	V161 W195 I212 W227 E230 P231 I232 K233 A234	V161-L210 HydrophobicContact CB-CD1 3.98Å; V161-L210 HydrophobicContact CG2-CD1 3.72Å; W195-L210 HydrophobicContact CD2-CD1 3.87Å; W195-L210 HydrophobicContact CE3-CD1 4.04Å; W195-L210 HydrophobicContact CG-CD1 4.11Å; W195-L210 HydrophobicContact CH2-CB 4.36Å; W195-L210 HydrophobicContact CZ2-CB 4.15Å; L210-I212 HydrophobicContact CD2-CD1 4.47Å; L210-W227 HydrophobicContact CD1-CZ3 3.84Å; L210-W227 HydrophobicContact CD2-CD2 4.4Å; L210-W227 HydrophobicContact CD2-CE3 3.23Å; L210-W227 HydrophobicContact CD2-CH2 4.46Å; L210-W227 HydrophobicContact CD2-CZ3 3.28Å; L210-W227 HydrophobicContact CG-CE3 4.5Å; L210-W227 HydrophobicContact CG-CZ3 4.2Å; L210-E230 HydrophobicContact CD2-CB 4.17Å; L210-P231 PolarHBondContact N-O 3.47Å; L210-I232 HydrophobicContact CB-CG1 4.49Å; L210-I232 HydrophobicContact CD2-CG1 3.71Å; L210-I232 HydrophobicContact CG-CG1 4.39Å; L210-K233 PolarHBondContact O-N 3.31Å; L210-A234 PolarHBondContact O-N 3.48Å
211	A	98.4	Very high	93.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	99.2	165.1	0	0	0	0	0	108.9	W158 I159 R160 V161 A234	W158-A211 HydrophobicContact CB-CB 3.96Å; W158-A211 HydrophobicContact CG-CB 4.37Å; I159-A211 PolarHBondContact O-N 3.43Å; R160-A211 VanDerWaalsContact CA-O 3.28Å; R160-A211 WeakPolarHBondContact CA-O 3.3Å; V161-A211 PolarHBondContact N-O 3.43Å; V161-A211 VanDerWaalsContact N-O 3.08Å; A211-A234 CarbonylContact C-O 3.54Å; A211-A234 VanDerWaalsContact CA-O 3.29Å; A211-A234 WeakPolarHBondContact CA-O 3.37Å; A211-A234 HydrophobicContact CB-CB 4.06Å
212	I	97.2	Very high	92.4	Very high	3 Å²	3	40 Å²	40	2%	0.015	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	128.6	-174.5	-165.2	73.7	0	0	0	110.5	V161 L163 L210 W227 I232 A234 A235 V236 L263	V161-I212 CarbonylContact O-C 3.56Å; V161-I212 WeakPolarHBondContact O-CA 3.16Å; V161-I212 WeakPolarHBondContact O-CD1 3.21Å; L163-I212 HydrophobicContact CD2-CD1 3.79Å; L163-I212 HydrophobicContact CD2-CG1 3.65Å; L163-I212 HydrophobicContact CG-CD1 4.13Å; L163-I212 HydrophobicContact CG-CG1 3.79Å; L210-I212 HydrophobicContact CD2-CD1 4.47Å; I212-W227 HydrophobicContact CD1-CD2 3.72Å; I212-W227 HydrophobicContact CD1-CE3 3.89Å; I212-W227 HydrophobicContact CD1-CG 4.39Å; I212-W227 HydrophobicContact CD1-CH2 3.77Å; I212-W227 HydrophobicContact CD1-CZ2 3.64Å; I212-W227 HydrophobicContact CD1-CZ3 3.91Å; I212-I232 HydrophobicContact CG2-CG2 4.16Å; I212-A234 PolarHBondContact N-O 3.39Å; I212-A235 HydrophobicContact CG2-CB 4.19Å; I212-A235 CarbonylContact O-C 3.58Å; I212-A235 VanDerWaalsContact O-CA 3.29Å; I212-A235 WeakPolarHBondContact O-CA 3.49Å; I212-V236 PolarHBondContact O-N 2.88Å; I212-L263 HydrophobicContact CG2-CD2 4.24Å
213	E	96.7	Very high	91.7	Very high	43 Å²	43	40.2 Å²	40.2	20%	0.201	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	123.4	176.1	171.9	168.6	-155.5	0	0	111.3	R160 V161 P162 L163 V236	R160-E213 IonicContact CZ-OE1 2.66Å; R160-E213 IonicContact CZ-OE2 2.64Å; R160-E213 VanDerWaalsContact CZ-OE2 3.26Å; R160-E213 IonicContact NE-OE1 2.81Å; R160-E213 IonicContact NE-OE2 3.46Å; R160-E213 PolarHBondContact NE-OE2 3.46Å; R160-E213 IonicContact NH2-OE1 3.45Å; R160-E213 PolarHBondContact NH2-OE1 3.34Å; R160-E213 IonicContact NH2-OE2 2.97Å; R160-E213 PolarHBondContact NH2-OE2 2.88Å; V161-E213 PolarHBondContact O-N 3.43Å; P162-E213 WeakPolarHBondContact CA-O 3.46Å; P162-E213 HydrophobicContact CB-CB 4.27Å; P162-E213 HydrophobicContact CB-CG 4.47Å; L163-E213 PolarHBondContact N-O 3.27Å; E213-V236 HydrophobicContact CB-CB 4.02Å; E213-V236 HydrophobicContact CG-CB 4.33Å; E213-V236 HydrophobicContact CG-CG1 4.41Å
214	V	95.1	Very high	91.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.208	C	C	.	.			trans	-92	114.6	-178.5	-173.8	0	0	0	0	109.3	L163 M218 V236 P238 I241	L163-V214 HydrophobicContact CD1-CB 4.39Å; L163-V214 HydrophobicContact CD1-CG1 4.24Å; L163-V214 HydrophobicContact CD1-CG2 4.17Å; V214-M218 HydrophobicContact CG1-SD 3.97Å; V214-V236 PolarHBondContact N-O 2.75Å; V214-P238 WeakPolarHBondContact O-CD 3.27Å; V214-I241 HydrophobicContact CB-CD1 4.29Å; V214-I241 HydrophobicContact CG1-CD1 4.03Å
215	G	91.7	Very high	90.8	Very high	21 Å²	21	37.6 Å²	37.6	22%	0.216	21%	0.214	C	C	.	.			trans	-77.3	177.7	177.7	0	0	0	0	0	113.6	H256	G215-H256 PolarHBondContact O-NE2 3.05Å; G215-H256 VanDerWaalsContact O-NE2 3.09Å
216	A	88.5	Confident	90.2	Very high	52 Å²	52	36.3 Å²	36.3	43%	0.43	21%	0.207	S	C	.	.	S	Bend	trans	-72.8	-34.4	177.9	0	0	0	0	0	112.7	I241 H256	A216-I241 HydrophobicContact CB-CG2 4.21Å; A216-H256 PolarHBondContact O-CE1 2.91Å
217	D	83.2	Confident	90.1	Very high	104 Å²	104	28.3 Å²	28.3	56%	0.556	17%	0.172	S	C	*	.	S	Bend	trans	-101.3	130.5	175.7	-56.9	-59.5	0	0	0	109.1	M169	M169-D217 HydrophobicContact CE-CB 3.67Å; M169-D217 WeakPolarHBondContact CE-OD2 3.41Å; M169-D217 HydrophobicContact SD-CB 4Å
218	M	86.9	Confident	89.8	Confident	42 Å²	42	29.1 Å²	29.1	21%	0.207	18%	0.178	C	C	.	.			trans	-88.7	130	-178.9	-70.8	-63	-53.8	0	0	109	L163 V214 I224 A255 H256 I259	L163-M218 HydrophobicContact CD1-CE 4.45Å; V214-M218 HydrophobicContact CG1-SD 3.97Å; M218-I224 HydrophobicContact CE-CD1 3.58Å; M218-I224 HydrophobicContact CE-CG1 4.41Å; M218-A255 HydrophobicContact CB-CB 4.23Å; M218-A255 HydrophobicContact CG-CB 3.89Å; M218-H256 WeakPolarHBondContact CG-ND1 3.35Å; M218-I259 HydrophobicContact CE-CB 4.03Å; M218-I259 HydrophobicContact CE-CD1 3.98Å; M218-I259 HydrophobicContact CE-CG2 3.7Å; M218-I259 HydrophobicContact SD-CG2 4.24Å
219	P	85.3	Confident	89.7	Confident	27 Å²	27	28.8 Å²	28.8	18%	0.175	18%	0.176	C	C	.	.			trans	-71.4	174.5	173.4	33.6	-36.2	0	0	0	110.6	L163 V164 V223 I224	L163-P219 HydrophobicContact CB-CG 4.42Å; V164-P219 HydrophobicContact CG2-CB 3.93Å; V164-P219 HydrophobicContact CG2-CG 3.99Å; P219-V223 HydrophobicContact CB-CB 3.83Å; P219-V223 HydrophobicContact CB-CG1 3.85Å; P219-V223 HydrophobicContact CB-CG2 4.26Å; P219-V223 HydrophobicContact CG-CB 4.13Å; P219-V223 HydrophobicContact CG-CG1 3.89Å; P219-I224 HydrophobicContact CG-CG1 4.07Å
220	S	83.9	Confident	89.6	Confident	58 Å²	58	28.4 Å²	28.4	41%	0.406	17%	0.174	S	C	.	.			trans	-59.3	155	175.4	67.4	0	0	0	0	111.7	A222 V223 I224	S220-A222 PolarHBondContact O-N 2.92Å; S220-A222 VanDerWaalsContact O-N 3.16Å; S220-V223 PolarHBondContact O-N 3.35Å; S220-I224 PolarHBondContact O-N 2.88Å
221	D	84	Confident	89.6	Confident	70 Å²	70	29.6 Å²	29.6	37%	0.374	18%	0.182	S	C	.	.	H	α-helix	trans	-58.2	-31.6	179.5	-71.2	-28.6	0	0	0	111.1	V223 I224 D225 R258	D221-V223 PolarHBondContact O-N 2.65Å; D221-I224 CarbonylContact O-C 3.55Å; D221-I224 WeakPolarHBondContact O-CB 3.29Å; D221-I224 PolarHBondContact O-N 2.96Å; D221-I224 VanDerWaalsContact O-N 3.13Å; D221-D225 WeakPolarHBondContact O-CB 3.42Å; D221-D225 PolarHBondContact O-N 2.75Å; D221-R258 IonicContact OD1-NH2 2.89Å; D221-R258 PolarHBondContact OD1-NH2 3.02Å; D221-R258 IonicContact OD2-NH2 2.98Å
222	A	81.8	Confident	89.5	Confident	51 Å²	51	30.3 Å²	30.3	42%	0.421	19%	0.185	S	C	.	.	H	α-helix	trans	-60	-38.8	174.7	0	0	0	0	0	113.8	S220 K226	S220-A222 PolarHBondContact O-N 2.92Å; S220-A222 VanDerWaalsContact O-N 3.16Å; A222-K226 PolarHBondContact O-N 3.01Å
223	V	82.3	Confident	89.6	Confident	6 Å²	6	35.4 Å²	35.4	4%	0.036	21%	0.207	C	C	.	.	H	α-helix	trans	-71.1	-38.4	174.9	175	0	0	0	0	110.4	A187 P219 S220 D221 D225 K226	A187-V223 HydrophobicContact CB-CG2 3.85Å; P219-V223 HydrophobicContact CB-CB 3.83Å; P219-V223 HydrophobicContact CB-CG1 3.85Å; P219-V223 HydrophobicContact CB-CG2 4.26Å; P219-V223 HydrophobicContact CG-CB 4.13Å; P219-V223 HydrophobicContact CG-CG1 3.89Å; S220-V223 PolarHBondContact O-N 3.35Å; D221-V223 PolarHBondContact O-N 2.65Å; V223-D225 VanDerWaalsContact C-N 3.32Å; V223-K226 WeakPolarHBondContact O-CB 3.49Å; V223-K226 PolarHBondContact O-N 2.91Å
224	I	86.4	Confident	89.6	Confident	17 Å²	17	33.4 Å²	33.4	9%	0.087	20%	0.198	C	C	.	.	H	α-helix	trans	-64	-41.4	176.4	-58.8	173.8	0	0	0	110.2	M218 P219 S220 D221 K226 W227 I259	M218-I224 HydrophobicContact CE-CD1 3.58Å; M218-I224 HydrophobicContact CE-CG1 4.41Å; P219-I224 HydrophobicContact CG-CG1 4.07Å; S220-I224 PolarHBondContact O-N 2.88Å; D221-I224 CarbonylContact O-C 3.55Å; D221-I224 WeakPolarHBondContact O-CB 3.29Å; D221-I224 PolarHBondContact O-N 2.96Å; D221-I224 VanDerWaalsContact O-N 3.13Å; I224-K226 PolarHBondContact O-N 2.94Å; I224-W227 PolarHBondContact O-N 3.48Å; I224-W227 VanDerWaalsContact O-N 3.1Å; I224-I259 HydrophobicContact CG2-CD1 4.12Å; I224-I259 HydrophobicContact CG2-CG1 4.43Å
225	D	85.4	Confident	89.8	Confident	40 Å²	40	33.4 Å²	33.4	21%	0.214	20%	0.198	C	C	.	.	H	α-helix	trans	-66.5	-21.4	-177.8	-68.8	-19.3	0	0	0	112.6	D221 V223 W227 L228 R262 H516	D221-D225 WeakPolarHBondContact O-CB 3.42Å; D221-D225 PolarHBondContact O-N 2.75Å; V223-D225 VanDerWaalsContact C-N 3.32Å; D225-W227 PolarHBondContact O-N 3.27Å; D225-L228 HydrophobicContact CB-CD1 4Å; D225-L228 VanDerWaalsContact O-CB 3.23Å; D225-L228 WeakPolarHBondContact O-CB 3.29Å; D225-L228 WeakPolarHBondContact O-CG 3.4Å; D225-L228 PolarHBondContact O-N 2.8Å; D225-L228 VanDerWaalsContact O-N 3.12Å; D225-R262 IonicContact OD1-CZ 3.88Å; D225-R262 IonicContact OD1-NH1 3.4Å; D225-R262 PolarHBondContact OD1-NH1 2.95Å; D225-R262 IonicContact OD1-NH2 2.61Å; D225-R262 PolarHBondContact OD1-NH2 2.99Å; D225-H516 PolarHBondContact O-ND1 2.84Å
226	K	83.9	Confident	90.1	Very high	6 Å²	6	32.4 Å²	32.4	3%	0.026	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-30.6	170.2	-63.3	-56.5	-166.5	-178.5	0	114.2	E189 W192 A222 V223 I224 L228 N551	E189-K226 HydrophobicContact CG-CG 4.47Å; E189-K226 WeakPolarHBondContact OE1-CE 3.42Å; E189-K226 IonicContact OE1-NZ 3.55Å; E189-K226 PolarHBondContact OE1-NZ 3.33Å; E189-K226 WeakPolarHBondContact OE2-CE 3.36Å; E189-K226 IonicContact OE2-NZ 3.77Å; E189-K226 PolarHBondContact OE2-NZ 3.33Å; W192-K226 HydrophobicContact CG-CB 4.11Å; W192-K226 PolarHBondContact NE1-O 3.28Å; A222-K226 PolarHBondContact O-N 3.01Å; V223-K226 WeakPolarHBondContact O-CB 3.49Å; V223-K226 PolarHBondContact O-N 2.91Å; I224-K226 PolarHBondContact O-N 2.94Å; K226-L228 PolarHBondContact O-N 3.04Å; K226-N551 WeakPolarHBondContact CE-O 3.38Å; K226-N551 PolarHBondContact NZ-O 3.06Å
227	W	92.6	Very high	90.6	Very high	8 Å²	8	30 Å²	30	3%	0.03	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-5.4	-177.2	-60.2	97.9	0	0	0	111.9	V161 L163 W192 W195 L210 I212 I224 D225 E230 I232	V161-W227 HydrophobicContact CB-CH2 4.23Å; V161-W227 HydrophobicContact CG1-CH2 3.81Å; V161-W227 HydrophobicContact CG1-CZ2 4.47Å; L163-W227 HydrophobicContact CD2-CG 4.41Å; W192-W227 HydrophobicContact CB-CH2 4.3Å; W192-W227 HydrophobicContact CB-CZ2 4.03Å; W195-W227 HydrophobicContact CB-CH2 4.14Å; W195-W227 HydrophobicContact CB-CZ3 4.03Å; W195-W227 AromaticContact CD1-CZ3 3.68Å; W195-W227 AromaticContact CG-CZ3 3.98Å; W195-W227 HydrophobicContact CG-CZ3 3.98Å; L210-W227 HydrophobicContact CD1-CZ3 3.84Å; L210-W227 HydrophobicContact CD2-CD2 4.4Å; L210-W227 HydrophobicContact CD2-CE3 3.23Å; L210-W227 HydrophobicContact CD2-CH2 4.46Å; L210-W227 HydrophobicContact CD2-CZ3 3.28Å; L210-W227 HydrophobicContact CG-CE3 4.5Å; L210-W227 HydrophobicContact CG-CZ3 4.2Å; I212-W227 HydrophobicContact CD1-CD2 3.72Å; I212-W227 HydrophobicContact CD1-CE3 3.89Å; I212-W227 HydrophobicContact CD1-CG 4.39Å; I212-W227 HydrophobicContact CD1-CH2 3.77Å; I212-W227 HydrophobicContact CD1-CZ2 3.64Å; I212-W227 HydrophobicContact CD1-CZ3 3.91Å; I224-W227 PolarHBondContact O-N 3.48Å; I224-W227 VanDerWaalsContact O-N 3.1Å; D225-W227 PolarHBondContact O-N 3.27Å; W227-E230 HydrophobicContact CE3-CG 4.32Å; W227-E230 WeakPolarHBondContact O-CB 3.32Å; W227-E230 PolarHBondContact O-N 2.96Å; W227-I232 HydrophobicContact CB-CD1 4.24Å
228	L	90.1	Very high	91.3	Very high	49 Å²	49	25.7 Å²	25.7	26%	0.257	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	135.4	168.9	-62.8	172.6	0	0	0	109.7	D225 K226 E230 H516	D225-L228 HydrophobicContact CB-CD1 4Å; D225-L228 VanDerWaalsContact O-CB 3.23Å; D225-L228 WeakPolarHBondContact O-CB 3.29Å; D225-L228 WeakPolarHBondContact O-CG 3.4Å; D225-L228 PolarHBondContact O-N 2.8Å; D225-L228 VanDerWaalsContact O-N 3.12Å; K226-L228 PolarHBondContact O-N 3.04Å; L228-E230 VanDerWaalsContact C-N 3.26Å; L228-E230 PolarHBondContact O-N 3.35Å; L228-H516 HydrophobicContact CB-CB 3.88Å
229	G	93.9	Very high	91.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	-9.6	-176.2	0	0	0	0	0	115	S484 K485 N514	G229-S484 PolarHBondContact O-N 2.91Å; G229-K485 PolarHBondContact O-N 3.14Å; G229-N514 WeakPolarHBondContact CA-O 3.35Å; G229-N514 VanDerWaalsContact CA-OD1 3.3Å; G229-N514 WeakPolarHBondContact CA-OD1 3.44Å; G229-N514 PolarHBondContact N-OD1 3.27Å
230	E	96.9	Very high	92.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-81.9	150.2	176.4	-61.5	-64.5	171.7	0	0	111.5	W192 W195 R199 L210 W227 L228 I232 N514	W192-E230 PolarHBondContact NE1-OE1 2.85Å; W195-E230 PolarHBondContact NE1-OE2 3.3Å; R199-E230 IonicContact CZ-OE1 3.68Å; R199-E230 IonicContact CZ-OE2 3.57Å; R199-E230 VanDerWaalsContact CZ-OE2 3.22Å; R199-E230 IonicContact NE-OE2 3Å; R199-E230 IonicContact NH1-OE1 3.27Å; R199-E230 PolarHBondContact NH1-OE1 2.7Å; R199-E230 IonicContact NH1-OE2 2.75Å; R199-E230 PolarHBondContact NH1-OE2 3.16Å; R199-E230 IonicContact NH2-OE1 3.6Å; R199-E230 PolarHBondContact NH2-OE1 3.43Å; R199-E230 IonicContact NH2-OE2 3.59Å; L210-E230 HydrophobicContact CD2-CB 4.17Å; W227-E230 HydrophobicContact CE3-CG 4.32Å; W227-E230 WeakPolarHBondContact O-CB 3.32Å; W227-E230 PolarHBondContact O-N 2.96Å; L228-E230 VanDerWaalsContact C-N 3.26Å; L228-E230 PolarHBondContact O-N 3.35Å; E230-I232 PolarHBondContact O-N 2.92Å; E230-N514 PolarHBondContact O-ND2 2.85Å
231	P	96.7	Very high	92.9	Very high	25 Å²	25	22.6 Å²	22.6	16%	0.162	13%	0.127	C	C	.	.			trans	-78.1	61.6	-177.3	34.1	-37.3	0	0	0	112.3	W195 L210 K233	W195-P231 HydrophobicContact CH2-CG 4.37Å; W195-P231 HydrophobicContact CZ2-CG 3.72Å; L210-P231 PolarHBondContact N-O 3.47Å; P231-K233 PolarHBondContact O-N 3.16Å
232	I	97.8	Very high	93.6	Very high	14 Å²	14	20 Å²	20	7%	0.072	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	119.1	174.7	-59	164.6	0	0	0	109	L210 I212 W227 E230 L263 L266 A268	L210-I232 HydrophobicContact CB-CG1 4.49Å; L210-I232 HydrophobicContact CD2-CG1 3.71Å; L210-I232 HydrophobicContact CG-CG1 4.39Å; I212-I232 HydrophobicContact CG2-CG2 4.16Å; W227-I232 HydrophobicContact CB-CD1 4.24Å; E230-I232 PolarHBondContact O-N 2.92Å; I232-L263 HydrophobicContact CD1-CD2 4.31Å; I232-L263 HydrophobicContact CG2-CD2 3.85Å; I232-L266 HydrophobicContact CD1-CD1 4.04Å; I232-A268 HydrophobicContact CG2-CB 4.3Å
233	K	97.6	Very high	94.3	Very high	111 Å²	111	22.1 Å²	22.1	48%	0.483	12%	0.116	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	-24.6	173.5	-68.8	-61.2	-176.2	-175.7	0	112.9	C209 L210 P231 Q269	C209-K233 HydrophobicContact CB-CB 4.07Å; C209-K233 HydrophobicContact CB-CG 3.52Å; L210-K233 PolarHBondContact O-N 3.31Å; P231-K233 PolarHBondContact O-N 3.16Å; K233-Q269 PolarHBondContact O-N 2.75Å
234	A	98.3	Very high	95.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	154.6	177.5	0	0	0	0	0	112.9	W158 L210 A211 I212 Q269 I271	W158-A234 HydrophobicContact CD2-CB 4.04Å; W158-A234 HydrophobicContact CE3-CB 3.83Å; W158-A234 HydrophobicContact CH2-CB 4Å; W158-A234 HydrophobicContact CZ2-CB 4.18Å; W158-A234 HydrophobicContact CZ3-CB 3.84Å; L210-A234 PolarHBondContact O-N 3.48Å; A211-A234 CarbonylContact C-O 3.54Å; A211-A234 VanDerWaalsContact CA-O 3.29Å; A211-A234 WeakPolarHBondContact CA-O 3.37Å; A211-A234 HydrophobicContact CB-CB 4.06Å; I212-A234 PolarHBondContact N-O 3.39Å; A234-Q269 CarbonylContact C-O 3.5Å; A234-Q269 WeakPolarHBondContact CA-O 3.49Å; A234-I271 HydrophobicContact CB-CD1 3.71Å; A234-I271 HydrophobicContact CB-CG1 4.3Å
235	A	98.1	Very high	95.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	117.2	171.1	0	0	0	0	0	109.7	I212 L263 Q269 F270 I271	I212-A235 HydrophobicContact CG2-CB 4.19Å; I212-A235 CarbonylContact O-C 3.58Å; I212-A235 VanDerWaalsContact O-CA 3.29Å; I212-A235 WeakPolarHBondContact O-CA 3.49Å; A235-L263 HydrophobicContact CB-CD1 3.64Å; A235-L263 HydrophobicContact CB-CD2 4.43Å; A235-Q269 PolarHBondContact N-O 3.26Å; A235-F270 HydrophobicContact CB-CD1 3.98Å; A235-F270 HydrophobicContact CB-CE1 4.01Å; A235-F270 CarbonylContact O-C 3.54Å; A235-F270 WeakPolarHBondContact O-CA 3.4Å; A235-I271 PolarHBondContact O-N 3.4Å
236	V	98.5	Very high	96.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	120.6	175.4	-176	0	0	0	0	108.6	R160 I212 E213 V214 I271 T273	R160-V236 HydrophobicContact CG-CG2 4.5Å; I212-V236 PolarHBondContact O-N 2.88Å; E213-V236 HydrophobicContact CB-CB 4.02Å; E213-V236 HydrophobicContact CG-CB 4.33Å; E213-V236 HydrophobicContact CG-CG1 4.41Å; V214-V236 PolarHBondContact N-O 2.75Å; V236-I271 CarbonylContact C-O 3.54Å; V236-I271 WeakPolarHBondContact CA-O 3.32Å; V236-I271 HydrophobicContact CG2-CB 4.28Å; V236-I271 HydrophobicContact CG2-CD1 4.25Å; V236-T273 HydrophobicContact CG1-CG2 3.63Å
237	V	98.1	Very high	96.7	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.012	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	101.6	-174.9	-168.4	0	0	0	0	108.9	I241 F242 I260 F270 I271 F272 T273	V237-I241 HydrophobicContact CG1-CD1 3.46Å; V237-I241 VanDerWaalsContact CG1-CD1 3.46Å; V237-I241 HydrophobicContact CG1-CG1 4.21Å; V237-F242 HydrophobicContact CG1-CE2 3.59Å; V237-F242 HydrophobicContact CG1-CZ 3.88Å; V237-I260 HydrophobicContact CG2-CD1 4.38Å; V237-F270 HydrophobicContact CG2-CD1 3.99Å; V237-I271 PolarHBondContact N-O 3.22Å; V237-F272 WeakPolarHBondContact O-CA 3.18Å; V237-T273 PolarHBondContact O-N 2.87Å
238	P	98	Very high	96.8	Very high	14 Å²	14	45 Å²	45	9%	0.091	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	137.9	176	-19.9	33	0	0	0	111.7	V214 S240 I241 T273	V214-P238 WeakPolarHBondContact O-CD 3.27Å; P238-S240 WeakPolarHBondContact CB-OG 3.28Å; P238-S240 PolarHBondContact O-N 3.25Å; P238-I241 HydrophobicContact CB-CG2 4.16Å; P238-I241 HydrophobicContact CG-CG2 4.33Å; P238-I241 WeakPolarHBondContact O-CG1 3.43Å; P238-I241 PolarHBondContact O-N 2.99Å; P238-I241 VanDerWaalsContact O-N 3.15Å; P238-T273 HydrophobicContact CB-CG2 3.9Å; P238-T273 HydrophobicContact CG-CG2 3.86Å
239	T	97.9	Very high	97.2	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.012	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-57.3	-18.9	172.2	43.7	0	0	0	0	113.8	I241 T273 A275 F283 Y286	T239-I241 VanDerWaalsContact C-N 3.33Å; T239-T273 WeakPolarHBondContact CG2-O 3.45Å; T239-T273 PolarHBondContact N-O 2.89Å; T239-T273 PolarHBondContact OG1-O 3.09Å; T239-A275 WeakPolarHBondContact CB-O 3.34Å; T239-A275 PolarHBondContact OG1-O 2.65Å; T239-F283 HydrophobicContact CG2-CE2 3.71Å; T239-F283 HydrophobicContact CG2-CZ 3.73Å; T239-Y286 HydrophobicContact CG2-CD1 4.22Å; T239-Y286 HydrophobicContact CG2-CD2 4.38Å; T239-Y286 HydrophobicContact CG2-CE1 3.81Å; T239-Y286 HydrophobicContact CG2-CE2 4.02Å; T239-Y286 HydrophobicContact CG2-CG 4.47Å
240	S	96.9	Very high	97.4	Very high	49 Å²	49	46.3 Å²	46.3	34%	0.343	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-69.7	-22.9	177	53.2	0	0	0	0	114.8	P238 F242 R277	P238-S240 WeakPolarHBondContact CB-OG 3.28Å; P238-S240 PolarHBondContact O-N 3.25Å; S240-F242 VanDerWaalsContact C-N 3.33Å; S240-R277 VanDerWaalsContact CB-NH1 3.3Å
241	I	96.8	Very high	97.4	Very high	10 Å²	10	47.9 Å²	47.9	5%	0.051	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-87	-9.6	-176	84.5	-173.6	0	0	0	112.3	V214 A216 V237 P238 T239 L252	V214-I241 HydrophobicContact CB-CD1 4.29Å; V214-I241 HydrophobicContact CG1-CD1 4.03Å; A216-I241 HydrophobicContact CB-CG2 4.21Å; V237-I241 HydrophobicContact CG1-CD1 3.46Å; V237-I241 VanDerWaalsContact CG1-CD1 3.46Å; V237-I241 HydrophobicContact CG1-CG1 4.21Å; P238-I241 HydrophobicContact CB-CG2 4.16Å; P238-I241 HydrophobicContact CG-CG2 4.33Å; P238-I241 WeakPolarHBondContact O-CG1 3.43Å; P238-I241 PolarHBondContact O-N 2.99Å; P238-I241 VanDerWaalsContact O-N 3.15Å; T239-I241 VanDerWaalsContact C-N 3.33Å; I241-L252 HydrophobicContact CD1-CD2 4.08Å; I241-L252 HydrophobicContact CG1-CD2 3.68Å
242	F	97.8	Very high	97.5	Very high	16 Å²	16	47 Å²	47	7%	0.07	24%	0.237	C	C	.	.			trans	-78.9	125	178.4	-71.3	-100.8	0	0	0	110.3	V237 S240 P250 V251 L252 F272 Y286 Y289	V237-F242 HydrophobicContact CG1-CE2 3.59Å; V237-F242 HydrophobicContact CG1-CZ 3.88Å; S240-F242 VanDerWaalsContact C-N 3.33Å; F242-P250 HydrophobicContact CB-CB 3.91Å; F242-P250 HydrophobicContact CD1-CB 3.78Å; F242-P250 HydrophobicContact CG-CB 4.11Å; F242-V251 CarbonylContact C-O 3.56Å; F242-V251 WeakPolarHBondContact CA-O 3.33Å; F242-L252 HydrophobicContact CD1-CD2 3.93Å; F242-L252 HydrophobicContact CD1-CG 4.02Å; F242-L252 HydrophobicContact CD2-CD2 4.28Å; F242-L252 HydrophobicContact CE1-CD1 4.27Å; F242-L252 HydrophobicContact CE1-CD2 3.97Å; F242-L252 HydrophobicContact CE1-CG 3.85Å; F242-L252 HydrophobicContact CE2-CD2 4.31Å; F242-L252 HydrophobicContact CG-CD2 4.09Å; F242-L252 HydrophobicContact CZ-CD1 4.44Å; F242-L252 HydrophobicContact CZ-CD2 4.15Å; F242-L252 HydrophobicContact CZ-CG 4.33Å; F242-F272 HydrophobicContact CE2-CD1 4.39Å; F242-F272 HydrophobicContact CE2-CE1 4.22Å; F242-F272 HydrophobicContact CZ-CD1 4.31Å; F242-F272 AromaticContact CZ-CE1 3.69Å; F242-F272 HydrophobicContact CZ-CE1 3.69Å; F242-Y286 HydrophobicContact CB-CD1 4.25Å; F242-Y286 HydrophobicContact CB-CE1 3.79Å; F242-Y286 AromaticContact CD1-CD1 3.77Å; F242-Y286 HydrophobicContact CD1-CD1 3.77Å; F242-Y286 HydrophobicContact CD1-CE1 4.2Å; F242-Y286 AromaticContact CD2-CD1 3.57Å; F242-Y286 HydrophobicContact CD2-CD1 3.57Å; F242-Y286 AromaticContact CD2-CE1 3.62Å; F242-Y286 HydrophobicContact CD2-CE1 3.62Å; F242-Y286 AromaticContact CE1-CD1 3.93Å; F242-Y286 HydrophobicContact CE1-CD1 3.93Å; F242-Y286 AromaticContact CE2-CD1 3.75Å; F242-Y286 HydrophobicContact CE2-CD1 3.75Å; F242-Y286 HydrophobicContact CE2-CE1 4.24Å; F242-Y286 AromaticContact CG-CD1 3.58Å; F242-Y286 HydrophobicContact CG-CD1 3.58Å; F242-Y286 AromaticContact CG-CE1 3.6Å; F242-Y286 HydrophobicContact CG-CE1 3.6Å; F242-Y286 AromaticContact CZ-CD1 3.94Å; F242-Y286 HydrophobicContact CZ-CD1 3.94Å; F242-Y289 HydrophobicContact CD1-CD1 4.37Å; F242-Y289 AromaticContact CE1-CD1 3.9Å; F242-Y289 HydrophobicContact CE1-CD1 3.9Å
243	L	97.3	Very high	97.4	Very high	95 Å²	95	48 Å²	48	50%	0.497	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	162.8	168.9	-53.7	178.1	0	0	0	110.2	P250 V251	L243-P250 CarbonylContact O-C 3.5Å; L243-P250 WeakPolarHBondContact O-CA 3.44Å; L243-V251 WeakPolarHBondContact CA-O 3.45Å; L243-V251 HydrophobicContact CB-CG2 4.18Å; L243-V251 PolarHBondContact N-O 3.22Å; L243-V251 PolarHBondContact O-N 2.78Å
244	T	97.6	Very high	97.2	Very high	92 Å²	92	50.1 Å²	50.1	56%	0.564	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.2	126.1	176.7	-50	0	0	0	0	110.3	H278	T244-H278 PolarHBondContact OG1-CD2 3.27Å; T244-H278 PolarHBondContact OG1-NE2 2.86Å
245	N	96.4	Very high	97	Very high	57 Å²	57	51.7 Å²	51.7	31%	0.305	27%	0.268	S	S	.	.			trans	-80.1	174.6	174.9	75.6	13.7	0	0	0	112.4	K247 G248 F249 V251	N245-K247 PolarHBondContact O-N 3.05Å; N245-K247 WeakPolarHBondContact OD1-CA 3.46Å; N245-K247 WeakPolarHBondContact OD1-CB 3.39Å; N245-K247 PolarHBondContact OD1-N 3.12Å; N245-G248 PolarHBondContact O-N 3.2Å; N245-G248 PolarHBondContact OD1-N 3.37Å; N245-F249 PolarHBondContact N-O 2.88Å; N245-F249 PolarHBondContact OD1-N 2.76Å; N245-V251 HydrophobicContact CB-CG1 3.93Å; N245-V251 HydrophobicContact CB-CG2 4.04Å
246	K	96.6	Very high	96.9	Very high	224 Å²	224	52.1 Å²	52.1	97%	0.974	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-20	178.4	-68.6	-176.6	177.8	-178.9	0	115.1
247	K	95.6	Very high	96.7	Very high	163 Å²	163	53.3 Å²	53.3	71%	0.709	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.1	5.5	179.6	-63.7	-175.3	179.3	-178.1	0	112.9	N245 F249 K281	N245-K247 PolarHBondContact O-N 3.05Å; N245-K247 WeakPolarHBondContact OD1-CA 3.46Å; N245-K247 WeakPolarHBondContact OD1-CB 3.39Å; N245-K247 PolarHBondContact OD1-N 3.12Å; K247-F249 HydrophobicContact CB-CD2 3.81Å; K247-F249 HydrophobicContact CB-CE2 4.25Å; K247-F249 WeakPolarHBondContact O-CD2 3.43Å; K247-K281 WeakPolarHBondContact O-CE 3.43Å; K247-K281 PolarHBondContact O-NZ 3Å
248	G	95.6	Very high	96.4	Very high	22 Å²	22	59.8 Å²	59.8	23%	0.227	30%	0.3	C	S	.	.	S	Bend	trans	78.4	13.4	-178.9	0	0	0	0	0	114.8	N245 K281	N245-G248 PolarHBondContact O-N 3.2Å; N245-G248 PolarHBondContact OD1-N 3.37Å; G248-K281 WeakPolarHBondContact O-CE 3.16Å; G248-K281 VanDerWaalsContact O-CG 3.28Å; G248-K281 WeakPolarHBondContact O-CG 3.4Å
249	F	97.7	Very high	96.2	Very high	75 Å²	75	59.6 Å²	59.6	33%	0.329	30%	0.298	S	S	.	.			trans	-94.2	147.8	179.4	-74.3	-93.3	0	0	0	112.1	N245 K247 K281	N245-F249 PolarHBondContact N-O 2.88Å; N245-F249 PolarHBondContact OD1-N 2.76Å; K247-F249 HydrophobicContact CB-CD2 3.81Å; K247-F249 HydrophobicContact CB-CE2 4.25Å; K247-F249 WeakPolarHBondContact O-CD2 3.43Å; F249-K281 HydrophobicContact CD1-CD 4.25Å; F249-K281 HydrophobicContact CD1-CG 4.42Å; F249-K281 HydrophobicContact CE1-CD 4Å; F249-K281 HydrophobicContact CE2-CD 4.34Å; F249-K281 HydrophobicContact CZ-CD 4.06Å
250	P	98.1	Very high	96	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.013	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	132.7	175.5	27.8	-34.3	0	0	0	111.1	F242 L243 S285 Y286	F242-P250 HydrophobicContact CB-CB 3.91Å; F242-P250 HydrophobicContact CD1-CB 3.78Å; F242-P250 HydrophobicContact CG-CB 4.11Å; L243-P250 CarbonylContact O-C 3.5Å; L243-P250 WeakPolarHBondContact O-CA 3.44Å; P250-S285 WeakPolarHBondContact CG-OG 3.19Å; P250-Y286 HydrophobicContact CB-CD1 3.74Å; P250-Y286 HydrophobicContact CB-CE1 3.74Å; P250-Y286 HydrophobicContact CB-CG 4.35Å; P250-Y286 HydrophobicContact CG-CD1 4.01Å; P250-Y286 HydrophobicContact CG-CD2 4.43Å; P250-Y286 HydrophobicContact CG-CE1 4.29Å; P250-Y286 HydrophobicContact CG-CG 4.11Å
251	V	98.1	Very high	95.8	Very high	32 Å²	32	60.2 Å²	60.2	19%	0.194	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	157.4	174.5	-61.1	0	0	0	0	110.2	F242 L243 N245 Y289	F242-V251 CarbonylContact C-O 3.56Å; F242-V251 WeakPolarHBondContact CA-O 3.33Å; L243-V251 WeakPolarHBondContact CA-O 3.45Å; L243-V251 HydrophobicContact CB-CG2 4.18Å; L243-V251 PolarHBondContact N-O 3.22Å; L243-V251 PolarHBondContact O-N 2.78Å; N245-V251 HydrophobicContact CB-CG1 3.93Å; N245-V251 HydrophobicContact CB-CG2 4.04Å; V251-Y289 HydrophobicContact CB-CD2 4.31Å; V251-Y289 HydrophobicContact CB-CE1 4.47Å; V251-Y289 HydrophobicContact CB-CE2 3.72Å; V251-Y289 HydrophobicContact CG1-CD2 3.9Å; V251-Y289 HydrophobicContact CG1-CE2 3.59Å
252	L	97.8	Very high	95.6	Very high	6 Å²	6	64 Å²	64	3%	0.031	31%	0.308	C	S	.	.			trans	-100.2	152.3	176.5	-69.8	172.1	0	0	0	110.9	I241 F242 H256 Q257 I260 Y289 L293	I241-L252 HydrophobicContact CD1-CD2 4.08Å; I241-L252 HydrophobicContact CG1-CD2 3.68Å; F242-L252 HydrophobicContact CD1-CD2 3.93Å; F242-L252 HydrophobicContact CD1-CG 4.02Å; F242-L252 HydrophobicContact CD2-CD2 4.28Å; F242-L252 HydrophobicContact CE1-CD1 4.27Å; F242-L252 HydrophobicContact CE1-CD2 3.97Å; F242-L252 HydrophobicContact CE1-CG 3.85Å; F242-L252 HydrophobicContact CE2-CD2 4.31Å; F242-L252 HydrophobicContact CG-CD2 4.09Å; F242-L252 HydrophobicContact CZ-CD1 4.44Å; F242-L252 HydrophobicContact CZ-CD2 4.15Å; F242-L252 HydrophobicContact CZ-CG 4.33Å; L252-H256 HydrophobicContact CB-CB 3.83Å; L252-H256 HydrophobicContact CD1-CB 4.34Å; L252-H256 HydrophobicContact CD2-CB 4.11Å; L252-H256 HydrophobicContact CG-CB 4.32Å; L252-Q257 HydrophobicContact CB-CG 4.24Å; L252-Q257 PolarHBondContact O-NE2 3.5Å; L252-I260 HydrophobicContact CD1-CD1 4.34Å; L252-I260 HydrophobicContact CD1-CG1 3.82Å; L252-Y289 HydrophobicContact CB-CE1 3.74Å; L252-Y289 HydrophobicContact CD1-CE1 4.02Å; L252-Y289 HydrophobicContact CG-CD1 4.35Å; L252-Y289 HydrophobicContact CG-CE1 3.7Å; L252-Y289 PolarHBondContact N-OH 3.45Å; L252-Y289 PolarHBondContact O-OH 3.39Å; L252-L293 HydrophobicContact CD1-CD1 4.27Å
253	S	96.7	Very high	95.5	Very high	37 Å²	37	63.6 Å²	63.6	26%	0.259	31%	0.307	S	S	.	.			trans	-64.3	166.3	170.1	72.1	0	0	0	0	111.4	A255 H256 Q257	S253-A255 VanDerWaalsContact C-N 3.33Å; S253-A255 PolarHBondContact O-N 3.07Å; S253-H256 PolarHBondContact O-N 3.39Å; S253-H256 PolarHBondContact OG-N 2.94Å; S253-H256 PolarHBondContact OG-ND1 3.28Å; S253-Q257 WeakPolarHBondContact O-CG 3.24Å; S253-Q257 PolarHBondContact O-N 2.65Å
254	K	94.3	Very high	95.3	Very high	154 Å²	154	59.4 Å²	59.4	67%	0.67	28%	0.284	S	S	*	.	H	α-helix	trans	-63.4	-37.9	178.6	-71.7	-66.2	178.8	-172.2	0	112.8	H256 Q257 R258	K254-H256 VanDerWaalsContact C-N 3.34Å; K254-H256 PolarHBondContact O-N 3.1Å; K254-Q257 PolarHBondContact O-N 3.13Å; K254-R258 WeakPolarHBondContact O-CG 3.46Å; K254-R258 PolarHBondContact O-N 3.38Å; K254-R258 VanDerWaalsContact O-N 3.09Å
255	A	92.5	Very high	95	Very high	34 Å²	34	61 Å²	61	28%	0.281	28%	0.283	S	S	.	.	H	α-helix	trans	-60.1	-44.6	175.3	0	0	0	0	0	111.6	M218 S253 R258 I259	M218-A255 HydrophobicContact CB-CB 4.23Å; M218-A255 HydrophobicContact CG-CB 3.89Å; S253-A255 VanDerWaalsContact C-N 3.33Å; S253-A255 PolarHBondContact O-N 3.07Å; A255-R258 WeakPolarHBondContact O-CB 3.36Å; A255-R258 PolarHBondContact O-N 3.26Å; A255-I259 PolarHBondContact O-N 3.24Å
256	H	95.6	Very high	94.8	Very high	8 Å²	8	60.2 Å²	60.2	4%	0.037	28%	0.279	C	S	.	.	H	α-helix	trans	-66.4	-41.5	175.5	-74	71.8	0	0	0	112.2	G215 A216 M218 L252 S253 K254 R258 I259 I260	G215-H256 PolarHBondContact O-NE2 3.05Å; G215-H256 VanDerWaalsContact O-NE2 3.09Å; A216-H256 PolarHBondContact O-CE1 2.91Å; M218-H256 WeakPolarHBondContact CG-ND1 3.35Å; L252-H256 HydrophobicContact CB-CB 3.83Å; L252-H256 HydrophobicContact CD1-CB 4.34Å; L252-H256 HydrophobicContact CD2-CB 4.11Å; L252-H256 HydrophobicContact CG-CB 4.32Å; S253-H256 PolarHBondContact O-N 3.39Å; S253-H256 PolarHBondContact OG-N 2.94Å; S253-H256 PolarHBondContact OG-ND1 3.28Å; K254-H256 VanDerWaalsContact C-N 3.34Å; K254-H256 PolarHBondContact O-N 3.1Å; H256-R258 PolarHBondContact O-N 2.62Å; H256-I259 WeakPolarHBondContact O-CG2 3.38Å; H256-I259 PolarHBondContact O-N 3.23Å; H256-I260 VanDerWaalsContact O-CG1 3.24Å; H256-I260 WeakPolarHBondContact O-CG1 3.38Å; H256-I260 PolarHBondContact O-N 2.94Å
257	Q	95.3	Very high	94.6	Very high	26 Å²	26	57.1 Å²	57.1	12%	0.121	27%	0.268	C	S	.	.	H	α-helix	trans	-56.6	-39.8	175.8	-72.3	170.5	32	0	0	111.5	L252 S253 K254 I260 F261 Y289 L293	L252-Q257 HydrophobicContact CB-CG 4.24Å; L252-Q257 PolarHBondContact O-NE2 3.5Å; S253-Q257 WeakPolarHBondContact O-CG 3.24Å; S253-Q257 PolarHBondContact O-N 2.65Å; K254-Q257 PolarHBondContact O-N 3.13Å; Q257-I260 PolarHBondContact O-N 2.86Å; Q257-F261 HydrophobicContact CB-CD2 4.43Å; Q257-F261 HydrophobicContact CB-CE2 4.03Å; Q257-F261 WeakPolarHBondContact O-CD2 3.4Å; Q257-F261 WeakPolarHBondContact O-CG 3.39Å; Q257-F261 PolarHBondContact O-N 3.49Å; Q257-Y289 PolarHBondContact NE2-OH 3.22Å; Q257-L293 HydrophobicContact CG-CD1 4.18Å; Q257-L293 HydrophobicContact CG-CD2 3.95Å
258	R	91.9	Very high	94.7	Very high	138 Å²	138	49.7 Å²	49.7	52%	0.521	24%	0.237	S	C	.	.	H	α-helix	trans	-59.2	-48.2	178.1	-68.5	-169.6	-55.9	-152.5	12.8	112.6	D221 K254 A255 H256 F261 R262	D221-R258 IonicContact OD1-NH2 2.89Å; D221-R258 PolarHBondContact OD1-NH2 3.02Å; D221-R258 IonicContact OD2-NH2 2.98Å; K254-R258 WeakPolarHBondContact O-CG 3.46Å; K254-R258 PolarHBondContact O-N 3.38Å; K254-R258 VanDerWaalsContact O-N 3.09Å; A255-R258 WeakPolarHBondContact O-CB 3.36Å; A255-R258 PolarHBondContact O-N 3.26Å; H256-R258 PolarHBondContact O-N 2.62Å; R258-F261 PolarHBondContact O-N 3.36Å; R258-R262 PolarHBondContact O-N 3.32Å; R258-R262 VanDerWaalsContact O-N 3.14Å
259	I	92.6	Very high	94.8	Very high	10 Å²	10	51.6 Å²	51.6	5%	0.051	24%	0.24	C	C	.	.	H	α-helix	trans	-67.3	-38.5	178.9	-170.1	167.7	0	0	0	111.7	L163 M218 I224 A255 H256 F261 R262 L263	L163-I259 HydrophobicContact CD1-CD1 3.53Å; L163-I259 HydrophobicContact CD2-CD1 4.39Å; M218-I259 HydrophobicContact CE-CB 4.03Å; M218-I259 HydrophobicContact CE-CD1 3.98Å; M218-I259 HydrophobicContact CE-CG2 3.7Å; M218-I259 HydrophobicContact SD-CG2 4.24Å; I224-I259 HydrophobicContact CG2-CD1 4.12Å; I224-I259 HydrophobicContact CG2-CG1 4.43Å; A255-I259 PolarHBondContact O-N 3.24Å; H256-I259 WeakPolarHBondContact O-CG2 3.38Å; H256-I259 PolarHBondContact O-N 3.23Å; I259-F261 VanDerWaalsContact C-N 3.32Å; I259-F261 PolarHBondContact O-N 2.72Å; I259-R262 WeakPolarHBondContact O-CB 3.38Å; I259-R262 PolarHBondContact O-N 2.93Å; I259-R262 VanDerWaalsContact O-N 3.16Å; I259-L263 HydrophobicContact CG1-CD1 4.04Å; I259-L263 HydrophobicContact CG1-CG 4.39Å; I259-L263 WeakPolarHBondContact O-CG 3.47Å; I259-L263 PolarHBondContact O-N 2.92Å
260	I	94.8	Very high	94.8	Very high	3 Å²	3	48 Å²	48	2%	0.015	22%	0.224	C	C	.	.	H	α-helix	trans	-60	-42.7	175.5	-63.9	-64.7	0	0	0	110.9	V237 L252 H256 Q257 R262 L263 F264 F270 L290 L293	V237-I260 HydrophobicContact CG2-CD1 4.38Å; L252-I260 HydrophobicContact CD1-CD1 4.34Å; L252-I260 HydrophobicContact CD1-CG1 3.82Å; H256-I260 VanDerWaalsContact O-CG1 3.24Å; H256-I260 WeakPolarHBondContact O-CG1 3.38Å; H256-I260 PolarHBondContact O-N 2.94Å; Q257-I260 PolarHBondContact O-N 2.86Å; I260-R262 PolarHBondContact O-N 2.72Å; I260-L263 PolarHBondContact O-N 3.45Å; I260-F264 HydrophobicContact CG2-CD1 4.46Å; I260-F264 HydrophobicContact CG2-CD2 4.24Å; I260-F264 HydrophobicContact CG2-CE1 3.88Å; I260-F264 HydrophobicContact CG2-CE2 3.63Å; I260-F264 HydrophobicContact CG2-CZ 3.42Å; I260-F264 VanDerWaalsContact CG2-CZ 3.42Å; I260-F264 WeakPolarHBondContact O-CG 3.2Å; I260-F264 PolarHBondContact O-N 3.28Å; I260-F270 HydrophobicContact CD1-CD1 4.13Å; I260-F270 HydrophobicContact CD1-CE1 3.51Å; I260-F270 HydrophobicContact CD1-CZ 4.48Å; I260-F270 HydrophobicContact CG2-CE1 4.19Å; I260-F270 HydrophobicContact CG2-CZ 4.26Å; I260-L290 HydrophobicContact CG2-CD1 3.68Å; I260-L293 HydrophobicContact CG2-CD1 4.1Å
261	F	93.8	Very high	94.8	Very high	60 Å²	60	47.9 Å²	47.9	26%	0.263	22%	0.224	S	C	.	.	H	α-helix	trans	-64	-37.8	175.7	-70.4	-54.8	0	0	0	113	Q257 R258 I259 F264 K265 L293 R297	Q257-F261 HydrophobicContact CB-CD2 4.43Å; Q257-F261 HydrophobicContact CB-CE2 4.03Å; Q257-F261 WeakPolarHBondContact O-CD2 3.4Å; Q257-F261 WeakPolarHBondContact O-CG 3.39Å; Q257-F261 PolarHBondContact O-N 3.49Å; R258-F261 PolarHBondContact O-N 3.36Å; I259-F261 VanDerWaalsContact C-N 3.32Å; I259-F261 PolarHBondContact O-N 2.72Å; F261-F264 AromaticContact CD1-CD2 3.86Å; F261-F264 HydrophobicContact CD1-CD2 3.86Å; F261-F264 HydrophobicContact CD1-CE2 4.14Å; F261-F264 HydrophobicContact CE1-CD2 4.46Å; F261-F264 HydrophobicContact CE1-CE2 4.36Å; F261-F264 PolarHBondContact O-N 2.95Å; F261-K265 PolarHBondContact O-N 3.1Å; F261-L293 HydrophobicContact CE1-CB 4.41Å; F261-L293 WeakPolarHBondContact CE1-O 3.29Å; F261-L293 HydrophobicContact CZ-CD2 4.25Å; F261-R297 HydrophobicContact CD1-CB 3.89Å; F261-R297 HydrophobicContact CE1-CB 3.8Å
262	R	91.8	Very high	94.8	Very high	91 Å²	91	46.5 Å²	46.5	34%	0.343	22%	0.215	S	C	.	.	H	α-helix	trans	-63	-44	173.2	-69.4	179.9	177	-166.5	-3.6	111	D225 R258 I259 I260 F264 K265 L266	D225-R262 IonicContact OD1-CZ 3.88Å; D225-R262 IonicContact OD1-NH1 3.4Å; D225-R262 PolarHBondContact OD1-NH1 2.95Å; D225-R262 IonicContact OD1-NH2 2.61Å; D225-R262 PolarHBondContact OD1-NH2 2.99Å; R258-R262 PolarHBondContact O-N 3.32Å; R258-R262 VanDerWaalsContact O-N 3.14Å; I259-R262 WeakPolarHBondContact O-CB 3.38Å; I259-R262 PolarHBondContact O-N 2.93Å; I259-R262 VanDerWaalsContact O-N 3.16Å; I260-R262 PolarHBondContact O-N 2.72Å; R262-F264 VanDerWaalsContact C-N 3.33Å; R262-F264 PolarHBondContact O-N 3.26Å; R262-K265 WeakPolarHBondContact O-CB 3.46Å; R262-K265 PolarHBondContact O-N 2.74Å; R262-K265 VanDerWaalsContact O-N 3.1Å; R262-L266 PolarHBondContact O-N 3.27Å
263	L	94.4	Very high	94.9	Very high	6 Å²	6	47 Å²	47	3%	0.031	22%	0.218	C	C	.	.	H	α-helix	trans	-66.4	-31.5	177.4	-68.7	165.2	0	0	0	113	I212 I232 A235 I259 I260 K265 L266 E267 A268 F270	I212-L263 HydrophobicContact CG2-CD2 4.24Å; I232-L263 HydrophobicContact CD1-CD2 4.31Å; I232-L263 HydrophobicContact CG2-CD2 3.85Å; A235-L263 HydrophobicContact CB-CD1 3.64Å; A235-L263 HydrophobicContact CB-CD2 4.43Å; I259-L263 HydrophobicContact CG1-CD1 4.04Å; I259-L263 HydrophobicContact CG1-CG 4.39Å; I259-L263 WeakPolarHBondContact O-CG 3.47Å; I259-L263 PolarHBondContact O-N 2.92Å; I260-L263 PolarHBondContact O-N 3.45Å; L263-K265 VanDerWaalsContact C-N 3.32Å; L263-K265 PolarHBondContact O-N 2.96Å; L263-L266 CarbonylContact O-C 3.55Å; L263-L266 PolarHBondContact O-N 2.86Å; L263-E267 PolarHBondContact O-N 3.11Å; L263-A268 HydrophobicContact CB-CB 4.37Å; L263-A268 HydrophobicContact CD2-CB 4.32Å; L263-A268 PolarHBondContact O-N 2.82Å; L263-F270 HydrophobicContact CB-CE1 4.22Å; L263-F270 HydrophobicContact CB-CZ 3.74Å; L263-F270 HydrophobicContact CD1-CE1 4.22Å
264	F	93.8	Very high	94.9	Very high	8 Å²	8	46.9 Å²	46.9	4%	0.035	22%	0.223	C	C	.	.	H	α-helix	trans	-64	-35.3	170.6	-69.8	-27.6	0	0	0	112.8	V20 I260 F261 R262 L266 E267 F270 L290 L293 N294	V20-F264 HydrophobicContact CG1-CE1 4.11Å; V20-F264 HydrophobicContact CG2-CD1 4.21Å; V20-F264 HydrophobicContact CG2-CE1 3.79Å; V20-F264 HydrophobicContact CG2-CZ 4.4Å; I260-F264 HydrophobicContact CG2-CD1 4.46Å; I260-F264 HydrophobicContact CG2-CD2 4.24Å; I260-F264 HydrophobicContact CG2-CE1 3.88Å; I260-F264 HydrophobicContact CG2-CE2 3.63Å; I260-F264 HydrophobicContact CG2-CZ 3.42Å; I260-F264 VanDerWaalsContact CG2-CZ 3.42Å; I260-F264 WeakPolarHBondContact O-CG 3.2Å; I260-F264 PolarHBondContact O-N 3.28Å; F261-F264 AromaticContact CD1-CD2 3.86Å; F261-F264 HydrophobicContact CD1-CD2 3.86Å; F261-F264 HydrophobicContact CD1-CE2 4.14Å; F261-F264 HydrophobicContact CE1-CD2 4.46Å; F261-F264 HydrophobicContact CE1-CE2 4.36Å; F261-F264 PolarHBondContact O-N 2.95Å; R262-F264 VanDerWaalsContact C-N 3.33Å; R262-F264 PolarHBondContact O-N 3.26Å; F264-L266 VanDerWaalsContact C-N 3.27Å; F264-E267 PolarHBondContact O-N 3.19Å; F264-F270 AromaticContact CD1-CE2 3.46Å; F264-F270 HydrophobicContact CD1-CE2 3.46Å; F264-F270 VanDerWaalsContact CD1-CE2 3.46Å; F264-F270 AromaticContact CD1-CZ 3.58Å; F264-F270 HydrophobicContact CD1-CZ 3.58Å; F264-F270 HydrophobicContact CE1-CD2 4.25Å; F264-F270 HydrophobicContact CE1-CE1 4.44Å; F264-F270 AromaticContact CE1-CE2 3.44Å; F264-F270 HydrophobicContact CE1-CE2 3.44Å; F264-F270 VanDerWaalsContact CE1-CE2 3.44Å; F264-F270 AromaticContact CE1-CZ 3.54Å; F264-F270 HydrophobicContact CE1-CZ 3.54Å; F264-L290 HydrophobicContact CE1-CD1 3.85Å; F264-L290 HydrophobicContact CE1-CG 4.1Å; F264-L290 HydrophobicContact CZ-CD1 3.62Å; F264-L290 HydrophobicContact CZ-CG 3.97Å; F264-L293 HydrophobicContact CE2-CB 3.98Å; F264-L293 HydrophobicContact CZ-CB 4.25Å; F264-N294 HydrophobicContact CD2-CB 4.43Å; F264-N294 HydrophobicContact CE1-CB 4.35Å; F264-N294 HydrophobicContact CE2-CB 3.87Å; F264-N294 HydrophobicContact CZ-CB 3.82Å
265	K	91.1	Very high	95	Very high	125 Å²	125	43 Å²	43	54%	0.543	22%	0.219	S	C	.	.	H	α-helix	trans	-67	-32	174.5	-69.4	-170.7	172.4	-160.1	0	111.6	F261 R262 L263 E267 E304 H513	F261-K265 PolarHBondContact O-N 3.1Å; R262-K265 WeakPolarHBondContact O-CB 3.46Å; R262-K265 PolarHBondContact O-N 2.74Å; R262-K265 VanDerWaalsContact O-N 3.1Å; L263-K265 VanDerWaalsContact C-N 3.32Å; L263-K265 PolarHBondContact O-N 2.96Å; K265-E267 PolarHBondContact O-N 3.02Å; K265-E304 IonicContact NZ-OE1 2.77Å; K265-H513 PolarHBondContact O-NE2 3.09Å
266	L	92.6	Very high	95.2	Very high	41 Å²	41	43.8 Å²	43.8	22%	0.215	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	0.8	175.2	-61.1	-179.5	0	0	0	113.7	I232 R262 L263 F264 A268 N514	I232-L266 HydrophobicContact CD1-CD1 4.04Å; R262-L266 PolarHBondContact O-N 3.27Å; L263-L266 CarbonylContact O-C 3.55Å; L263-L266 PolarHBondContact O-N 2.86Å; F264-L266 VanDerWaalsContact C-N 3.27Å; L266-A268 PolarHBondContact O-N 3.24Å; L266-N514 HydrophobicContact CD2-CB 3.84Å
267	E	93.6	Very high	95.1	Very high	159 Å²	159	51.4 Å²	51.4	74%	0.743	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	34.4	-176.8	-54.2	-168.4	155.6	0	0	113.5	L263 F264 K265	L263-E267 PolarHBondContact O-N 3.11Å; F264-E267 PolarHBondContact O-N 3.19Å; K265-E267 PolarHBondContact O-N 3.02Å
268	A	95.8	Very high	95.1	Very high	6 Å²	6	50.8 Å²	50.8	5%	0.05	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-66.6	146	179	0	0	0	0	0	111.8	I232 L263 L266 F270	I232-A268 HydrophobicContact CG2-CB 4.3Å; L263-A268 HydrophobicContact CB-CB 4.37Å; L263-A268 HydrophobicContact CD2-CB 4.32Å; L263-A268 PolarHBondContact O-N 2.82Å; L266-A268 PolarHBondContact O-N 3.24Å; A268-F270 WeakPolarHBondContact O-CD2 3.43Å; A268-F270 VanDerWaalsContact O-CE2 3.28Å; A268-F270 WeakPolarHBondContact O-CE2 3.38Å
269	Q	97.9	Very high	95.1	Very high	62 Å²	62	50 Å²	50	29%	0.29	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	140.4	170	-61.6	-173.6	-57.8	0	0	110.3	S21 F46 K233 A234 A235	S21-Q269 WeakPolarHBondContact O-CA 3.3Å; S21-Q269 PolarHBondContact OG-NE2 3.34Å; F46-Q269 HydrophobicContact CE1-CB 4.2Å; F46-Q269 HydrophobicContact CZ-CB 4.14Å; K233-Q269 PolarHBondContact O-N 2.75Å; A234-Q269 CarbonylContact C-O 3.5Å; A234-Q269 WeakPolarHBondContact CA-O 3.49Å; A235-Q269 PolarHBondContact N-O 3.26Å
270	F	98.3	Very high	95	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	132	-178.5	-71	-95.7	0	0	0	111.3	V20 S21 C22 G23 A235 V237 I260 L263 F264 A268 F272 L290	V20-F270 HydrophobicContact CG1-CD2 3.33Å; V20-F270 HydrophobicContact CG1-CE2 3.73Å; V20-F270 HydrophobicContact CG1-CG 4.36Å; S21-F270 PolarHBondContact O-N 2.8Å; C22-F270 CarbonylContact C-O 3.58Å; C22-F270 WeakPolarHBondContact CA-O 3.4Å; G23-F270 PolarHBondContact N-O 2.67Å; A235-F270 HydrophobicContact CB-CD1 3.98Å; A235-F270 HydrophobicContact CB-CE1 4.01Å; A235-F270 CarbonylContact O-C 3.54Å; A235-F270 WeakPolarHBondContact O-CA 3.4Å; V237-F270 HydrophobicContact CG2-CD1 3.99Å; I260-F270 HydrophobicContact CD1-CD1 4.13Å; I260-F270 HydrophobicContact CD1-CE1 3.51Å; I260-F270 HydrophobicContact CD1-CZ 4.48Å; I260-F270 HydrophobicContact CG2-CE1 4.19Å; I260-F270 HydrophobicContact CG2-CZ 4.26Å; L263-F270 HydrophobicContact CB-CE1 4.22Å; L263-F270 HydrophobicContact CB-CZ 3.74Å; L263-F270 HydrophobicContact CD1-CE1 4.22Å; F264-F270 AromaticContact CD1-CE2 3.46Å; F264-F270 HydrophobicContact CD1-CE2 3.46Å; F264-F270 VanDerWaalsContact CD1-CE2 3.46Å; F264-F270 AromaticContact CD1-CZ 3.58Å; F264-F270 HydrophobicContact CD1-CZ 3.58Å; F264-F270 HydrophobicContact CE1-CD2 4.25Å; F264-F270 HydrophobicContact CE1-CE1 4.44Å; F264-F270 AromaticContact CE1-CE2 3.44Å; F264-F270 HydrophobicContact CE1-CE2 3.44Å; F264-F270 VanDerWaalsContact CE1-CE2 3.44Å; F264-F270 AromaticContact CE1-CZ 3.54Å; F264-F270 HydrophobicContact CE1-CZ 3.54Å; A268-F270 WeakPolarHBondContact O-CD2 3.43Å; A268-F270 VanDerWaalsContact O-CE2 3.28Å; A268-F270 WeakPolarHBondContact O-CE2 3.38Å; F270-F272 HydrophobicContact CB-CE2 4.37Å; F270-L290 HydrophobicContact CB-CD2 3.61Å; F270-L290 HydrophobicContact CD1-CD1 4.16Å; F270-L290 HydrophobicContact CD1-CD2 4.09Å; F270-L290 HydrophobicContact CD2-CD2 3.89Å; F270-L290 HydrophobicContact CE1-CD1 4.27Å; F270-L290 HydrophobicContact CG-CD1 4.42Å; F270-L290 HydrophobicContact CG-CD2 3.57Å
271	I	98.7	Very high	94.9	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	113.5	-175.7	-56	173.4	0	0	0	109	G23 D25 F46 M129 W158 A234 A235 V236 V237	G23-I271 WeakPolarHBondContact O-CA 3.41Å; D25-I271 HydrophobicContact CB-CG2 3.61Å; F46-I271 HydrophobicContact CE2-CD1 4.36Å; F46-I271 HydrophobicContact CE2-CG1 4.05Å; F46-I271 HydrophobicContact CZ-CG1 3.96Å; M129-I271 HydrophobicContact CE-CD1 3.58Å; W158-I271 HydrophobicContact CE3-CD1 3.82Å; W158-I271 HydrophobicContact CH2-CD1 4.42Å; W158-I271 HydrophobicContact CZ3-CD1 3.44Å; W158-I271 VanDerWaalsContact CZ3-CD1 3.44Å; W158-I271 HydrophobicContact CZ3-CG1 4.41Å; A234-I271 HydrophobicContact CB-CD1 3.71Å; A234-I271 HydrophobicContact CB-CG1 4.3Å; A235-I271 PolarHBondContact O-N 3.4Å; V236-I271 CarbonylContact C-O 3.54Å; V236-I271 WeakPolarHBondContact CA-O 3.32Å; V236-I271 HydrophobicContact CG2-CB 4.28Å; V236-I271 HydrophobicContact CG2-CD1 4.25Å; V237-I271 PolarHBondContact N-O 3.22Å
272	F	98.4	Very high	94.8	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.009	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	125.6	178.8	-68.3	-98.1	0	0	0	110.4	C22 G23 R24 D25 F44 V237 F242 F270 F283 L290	C22-F272 HydrophobicContact CB-CE2 4.31Å; G23-F272 PolarHBondContact O-N 3.02Å; R24-F272 PolarHBondContact NH1-O 3.16Å; D25-F272 PolarHBondContact N-O 3.39Å; F44-F272 HydrophobicContact CD1-CD2 4.46Å; F44-F272 HydrophobicContact CE1-CB 4.23Å; F44-F272 AromaticContact CE1-CD2 3.56Å; F44-F272 HydrophobicContact CE1-CD2 3.56Å; F44-F272 HydrophobicContact CE1-CE2 4.18Å; F44-F272 HydrophobicContact CE1-CG 4.09Å; F44-F272 HydrophobicContact CZ-CB 4.48Å; F44-F272 HydrophobicContact CZ-CD2 4.37Å; V237-F272 WeakPolarHBondContact O-CA 3.18Å; F242-F272 HydrophobicContact CE2-CD1 4.39Å; F242-F272 HydrophobicContact CE2-CE1 4.22Å; F242-F272 HydrophobicContact CZ-CD1 4.31Å; F242-F272 AromaticContact CZ-CE1 3.69Å; F242-F272 HydrophobicContact CZ-CE1 3.69Å; F270-F272 HydrophobicContact CB-CE2 4.37Å; F272-F283 HydrophobicContact CB-CE1 4.14Å; F272-F283 HydrophobicContact CB-CZ 4.27Å; F272-L290 HydrophobicContact CE2-CD2 4.05Å; F272-L290 HydrophobicContact CZ-CB 4.11Å; F272-L290 HydrophobicContact CZ-CD2 3.94Å
273	T	98.2	Very high	95	Very high	16 Å²	16	58.3 Å²	58.3	10%	0.098	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	161.1	179.9	-164.9	0	0	0	0	112.9	D25 V236 V237 P238 T239	D25-T273 WeakPolarHBondContact OD2-CB 3.32Å; D25-T273 PolarHBondContact OD2-OG1 3.17Å; V236-T273 HydrophobicContact CG1-CG2 3.63Å; V237-T273 PolarHBondContact O-N 2.87Å; P238-T273 HydrophobicContact CB-CG2 3.9Å; P238-T273 HydrophobicContact CG-CG2 3.86Å; T239-T273 WeakPolarHBondContact CG2-O 3.45Å; T239-T273 PolarHBondContact N-O 2.89Å; T239-T273 PolarHBondContact OG1-O 3.09Å
274	G	97	Very high	95	Very high	36 Å²	36	62.7 Å²	62.7	37%	0.371	32%	0.317	S	S	.	.	S	Bend	trans	86.4	174.7	-177.6	0	0	0	0	0	115	R24	R24-G274 PolarHBondContact NH2-O 3.13Å
275	A	96.3	Very high	95.1	Very high	71 Å²	71	62.6 Å²	62.6	59%	0.587	32%	0.317	S	S	*	.			trans	-80.4	163.8	-178.2	0	0	0	0	0	112.7	T239 R277	T239-A275 WeakPolarHBondContact CB-O 3.34Å; T239-A275 PolarHBondContact OG1-O 2.65Å; A275-R277 PolarHBondContact O-N 2.8Å; A275-R277 VanDerWaalsContact O-N 3.1Å
276	N	96.4	Very high	95.4	Very high	52 Å²	52	56.6 Å²	56.6	28%	0.278	29%	0.291	S	S	.	.			trans	-64	114.3	171.5	-172	7.3	0	0	0	109.9	H278 K281 F283	N276-H278 PolarHBondContact ND2-O 3.28Å; N276-H278 PolarHBondContact OD1-N 3.1Å; N276-H278 PolarHBondContact OD1-O 3.48Å; N276-K281 PolarHBondContact ND2-O 2.9Å; N276-F283 HydrophobicContact CB-CD2 3.98Å
277	R	94.9	Very high	95.6	Very high	167 Å²	167	54.8 Å²	54.8	63%	0.63	28%	0.281	S	S	*	.	S	Bend	trans	-95	-11.7	175.2	-66	-167.8	175.4	-158.1	-4	113.5	S240 A275 Y286	S240-R277 VanDerWaalsContact CB-NH1 3.3Å; A275-R277 PolarHBondContact O-N 2.8Å; A275-R277 VanDerWaalsContact O-N 3.1Å; R277-Y286 PolarHBondContact N-OH 3.02Å
278	H	95.6	Very high	95.7	Very high	14 Å²	14	51.5 Å²	51.5	7%	0.065	27%	0.266	C	S	.	.			trans	-105.5	68.9	175.1	-64.1	78.1	0	0	0	108.3	T244 N276 E280 K281 Y286	T244-H278 PolarHBondContact OG1-CD2 3.27Å; T244-H278 PolarHBondContact OG1-NE2 2.86Å; N276-H278 PolarHBondContact ND2-O 3.28Å; N276-H278 PolarHBondContact OD1-N 3.1Å; N276-H278 PolarHBondContact OD1-O 3.48Å; H278-E280 PolarHBondContact O-N 2.86Å; H278-E280 VanDerWaalsContact O-N 3.16Å; H278-K281 HydrophobicContact CB-CB 4.27Å; H278-K281 HydrophobicContact CB-CG 4.47Å; H278-K281 CarbonylContact O-C 3.5Å; H278-K281 WeakPolarHBondContact O-CA 3.45Å; H278-K281 PolarHBondContact O-N 2.88Å; H278-Y286 AromaticContact ND1-CE1 3.83Å; H278-Y286 AromaticContact ND1-CZ 3.38Å; H278-Y286 PolarHBondContact ND1-OH 2.69Å
279	T	91	Very high	95.7	Very high	120 Å²	120	52.3 Å²	52.3	74%	0.736	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-26.7	-168.7	50.8	0	0	0	0	114.4	K281	T279-K281 PolarHBondContact O-N 2.83Å
280	E	90.2	Very high	95.6	Very high	170 Å²	170	49.7 Å²	49.7	79%	0.794	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-9	173.6	-60.8	-174.9	174.8	0	0	113.4	H278	H278-E280 PolarHBondContact O-N 2.86Å; H278-E280 VanDerWaalsContact O-N 3.16Å
281	K	93.3	Very high	95.4	Very high	55 Å²	55	52.1 Å²	52.1	24%	0.239	27%	0.267	C	S	.	.	S	Bend	trans	-118.5	153.3	178.2	-55	-57.5	179.6	-164.1	0	110.5	K247 G248 F249 N276 H278 T279	K247-K281 WeakPolarHBondContact O-CE 3.43Å; K247-K281 PolarHBondContact O-NZ 3Å; G248-K281 WeakPolarHBondContact O-CE 3.16Å; G248-K281 VanDerWaalsContact O-CG 3.28Å; G248-K281 WeakPolarHBondContact O-CG 3.4Å; F249-K281 HydrophobicContact CD1-CD 4.25Å; F249-K281 HydrophobicContact CD1-CG 4.42Å; F249-K281 HydrophobicContact CE1-CD 4Å; F249-K281 HydrophobicContact CE2-CD 4.34Å; F249-K281 HydrophobicContact CZ-CD 4.06Å; N276-K281 PolarHBondContact ND2-O 2.9Å; H278-K281 HydrophobicContact CB-CB 4.27Å; H278-K281 HydrophobicContact CB-CG 4.47Å; H278-K281 CarbonylContact O-C 3.5Å; H278-K281 WeakPolarHBondContact O-CA 3.45Å; H278-K281 PolarHBondContact O-N 2.88Å; T279-K281 PolarHBondContact O-N 2.83Å
282	D	92.3	Very high	95.3	Very high	98 Å²	98	58 Å²	58	52%	0.524	29%	0.29	S	S	.	.			trans	-69.6	149.9	171.8	-174.7	23.3	0	0	0	110.9	L42 R284 S285	L42-D282 WeakPolarHBondContact CD2-OD1 3.48Å; D282-R284 PolarHBondContact O-N 3.02Å; D282-R284 VanDerWaalsContact O-N 3.13Å; D282-R284 VanDerWaalsContact OD2-CB 3.31Å; D282-R284 WeakPolarHBondContact OD2-CB 3.45Å; D282-S285 VanDerWaalsContact O-CB 3.26Å; D282-S285 WeakPolarHBondContact O-CB 3.5Å; D282-S285 PolarHBondContact O-N 2.95Å; D282-S285 PolarHBondContact O-OG 2.85Å
283	F	94.9	Very high	95.2	Very high	16 Å²	16	58 Å²	58	7%	0.07	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-26.2	177.7	-163.6	-82	0	0	0	111.7	R24 L42 F44 T239 F272 N276 S285 Y286	R24-F283 VanDerWaalsContact CD-CE1 3.49Å; L42-F283 HydrophobicContact CD1-CB 4.25Å; L42-F283 HydrophobicContact CD2-CB 4.32Å; F44-F283 AromaticContact CE2-CD1 3.7Å; F44-F283 HydrophobicContact CE2-CD1 3.7Å; F44-F283 AromaticContact CE2-CE1 3.86Å; F44-F283 HydrophobicContact CE2-CE1 3.86Å; F44-F283 AromaticContact CZ-CD1 3.66Å; F44-F283 HydrophobicContact CZ-CD1 3.66Å; F44-F283 AromaticContact CZ-CE1 3.49Å; F44-F283 HydrophobicContact CZ-CE1 3.49Å; F44-F283 VanDerWaalsContact CZ-CE1 3.49Å; T239-F283 HydrophobicContact CG2-CE2 3.71Å; T239-F283 HydrophobicContact CG2-CZ 3.73Å; F272-F283 HydrophobicContact CB-CE1 4.14Å; F272-F283 HydrophobicContact CB-CZ 4.27Å; N276-F283 HydrophobicContact CB-CD2 3.98Å; F283-S285 PolarHBondContact O-N 3.15Å; F283-S285 VanDerWaalsContact O-N 3.1Å; F283-Y286 HydrophobicContact CD2-CD2 4.39Å; F283-Y286 HydrophobicContact CD2-CE2 4.37Å; F283-Y286 HydrophobicContact CG-CD2 4.37Å; F283-Y286 WeakPolarHBondContact O-CD2 3.28Å; F283-Y286 PolarHBondContact O-N 2.73Å
284	R	95.1	Very high	94.9	Very high	99 Å²	99	58.1 Å²	58.1	37%	0.374	29%	0.29	S	S	.	.	H	α-helix	trans	-57.2	-22.5	172.7	-175.5	169.3	-177	149.1	2.3	113.6	L42 D282 Y286 L287 Q288	L42-R284 HydrophobicContact CD2-CB 4.35Å; L42-R284 WeakPolarHBondContact O-CG 3.5Å; D282-R284 PolarHBondContact O-N 3.02Å; D282-R284 VanDerWaalsContact O-N 3.13Å; D282-R284 VanDerWaalsContact OD2-CB 3.31Å; D282-R284 WeakPolarHBondContact OD2-CB 3.45Å; R284-Y286 PolarHBondContact O-N 2.56Å; R284-L287 WeakPolarHBondContact O-CB 3.32Å; R284-L287 PolarHBondContact O-N 3.31Å; R284-L287 VanDerWaalsContact O-N 3.12Å; R284-Q288 HydrophobicContact CG-CG 4.2Å; R284-Q288 WeakPolarHBondContact O-CG 3.47Å; R284-Q288 PolarHBondContact O-N 2.84Å
285	S	96.6	Very high	94.7	Very high	5 Å²	5	63.4 Å²	63.4	4%	0.035	31%	0.305	C	S	.	.	H	α-helix	trans	-60.9	-30.7	178.2	61.2	0	0	0	0	113.8	P250 D282 F283 Y289	P250-S285 WeakPolarHBondContact CG-OG 3.19Å; D282-S285 VanDerWaalsContact O-CB 3.26Å; D282-S285 WeakPolarHBondContact O-CB 3.5Å; D282-S285 PolarHBondContact O-N 2.95Å; D282-S285 PolarHBondContact O-OG 2.85Å; F283-S285 PolarHBondContact O-N 3.15Å; F283-S285 VanDerWaalsContact O-N 3.1Å; S285-Y289 PolarHBondContact O-N 3.27Å; S285-Y289 VanDerWaalsContact O-N 3.07Å
286	Y	97.4	Very high	94.5	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-66	-42.9	173.8	-67.2	-87.4	0	0	0	111.8	T239 F242 P250 R277 H278 F283 R284 Y289 L290	T239-Y286 HydrophobicContact CG2-CD1 4.22Å; T239-Y286 HydrophobicContact CG2-CD2 4.38Å; T239-Y286 HydrophobicContact CG2-CE1 3.81Å; T239-Y286 HydrophobicContact CG2-CE2 4.02Å; T239-Y286 HydrophobicContact CG2-CG 4.47Å; F242-Y286 HydrophobicContact CB-CD1 4.25Å; F242-Y286 HydrophobicContact CB-CE1 3.79Å; F242-Y286 AromaticContact CD1-CD1 3.77Å; F242-Y286 HydrophobicContact CD1-CD1 3.77Å; F242-Y286 HydrophobicContact CD1-CE1 4.2Å; F242-Y286 AromaticContact CD2-CD1 3.57Å; F242-Y286 HydrophobicContact CD2-CD1 3.57Å; F242-Y286 AromaticContact CD2-CE1 3.62Å; F242-Y286 HydrophobicContact CD2-CE1 3.62Å; F242-Y286 AromaticContact CE1-CD1 3.93Å; F242-Y286 HydrophobicContact CE1-CD1 3.93Å; F242-Y286 AromaticContact CE2-CD1 3.75Å; F242-Y286 HydrophobicContact CE2-CD1 3.75Å; F242-Y286 HydrophobicContact CE2-CE1 4.24Å; F242-Y286 AromaticContact CG-CD1 3.58Å; F242-Y286 HydrophobicContact CG-CD1 3.58Å; F242-Y286 AromaticContact CG-CE1 3.6Å; F242-Y286 HydrophobicContact CG-CE1 3.6Å; F242-Y286 AromaticContact CZ-CD1 3.94Å; F242-Y286 HydrophobicContact CZ-CD1 3.94Å; P250-Y286 HydrophobicContact CB-CD1 3.74Å; P250-Y286 HydrophobicContact CB-CE1 3.74Å; P250-Y286 HydrophobicContact CB-CG 4.35Å; P250-Y286 HydrophobicContact CG-CD1 4.01Å; P250-Y286 HydrophobicContact CG-CD2 4.43Å; P250-Y286 HydrophobicContact CG-CE1 4.29Å; P250-Y286 HydrophobicContact CG-CG 4.11Å; R277-Y286 PolarHBondContact N-OH 3.02Å; H278-Y286 AromaticContact ND1-CE1 3.83Å; H278-Y286 AromaticContact ND1-CZ 3.38Å; H278-Y286 PolarHBondContact ND1-OH 2.69Å; F283-Y286 HydrophobicContact CD2-CD2 4.39Å; F283-Y286 HydrophobicContact CD2-CE2 4.37Å; F283-Y286 HydrophobicContact CG-CD2 4.37Å; F283-Y286 WeakPolarHBondContact O-CD2 3.28Å; F283-Y286 PolarHBondContact O-N 2.73Å; R284-Y286 PolarHBondContact O-N 2.56Å; Y286-Y289 PolarHBondContact O-N 2.98Å; Y286-L290 PolarHBondContact O-N 2.72Å
287	L	95.6	Very high	94.1	Very high	2 Å²	2	66.8 Å²	66.8	1%	0.01	31%	0.306	C	S	.	.	H	α-helix	trans	-65.1	-46	175.9	178.3	63.1	0	0	0	111.1	C22 G43 R284 Y289 L290 E291	C22-L287 HydrophobicContact CB-CD1 3.64Å; C22-L287 WeakPolarHBondContact SG-CD1 3.27Å; G43-L287 WeakPolarHBondContact O-CD2 3.25Å; R284-L287 WeakPolarHBondContact O-CB 3.32Å; R284-L287 PolarHBondContact O-N 3.31Å; R284-L287 VanDerWaalsContact O-N 3.12Å; L287-Y289 PolarHBondContact O-N 2.87Å; L287-L290 PolarHBondContact O-N 3.19Å; L287-E291 WeakPolarHBondContact O-CG 3.44Å; L287-E291 PolarHBondContact O-N 3.1Å
288	Q	95.3	Very high	93.7	Very high	91 Å²	91	64.2 Å²	64.2	43%	0.425	31%	0.311	S	S	.	.	H	α-helix	trans	-57.4	-36.8	176.6	-73.3	173.8	-24.9	0	0	112.3	R284 Y292	R284-Q288 HydrophobicContact CG-CG 4.2Å; R284-Q288 WeakPolarHBondContact O-CG 3.47Å; R284-Q288 PolarHBondContact O-N 2.84Å; Q288-Y292 WeakPolarHBondContact O-CB 3.49Å; Q288-Y292 PolarHBondContact O-N 3.43Å
289	Y	96.8	Very high	93.4	Very high	23 Å²	23	67.7 Å²	67.7	9%	0.09	34%	0.342	C	S	.	.	H	α-helix	trans	-67.9	-39.3	176.2	-177.7	-105	0	0	0	112.3	F242 V251 L252 Q257 S285 Y286 L287 Y292 L293	F242-Y289 HydrophobicContact CD1-CD1 4.37Å; F242-Y289 AromaticContact CE1-CD1 3.9Å; F242-Y289 HydrophobicContact CE1-CD1 3.9Å; V251-Y289 HydrophobicContact CB-CD2 4.31Å; V251-Y289 HydrophobicContact CB-CE1 4.47Å; V251-Y289 HydrophobicContact CB-CE2 3.72Å; V251-Y289 HydrophobicContact CG1-CD2 3.9Å; V251-Y289 HydrophobicContact CG1-CE2 3.59Å; L252-Y289 HydrophobicContact CB-CE1 3.74Å; L252-Y289 HydrophobicContact CD1-CE1 4.02Å; L252-Y289 HydrophobicContact CG-CD1 4.35Å; L252-Y289 HydrophobicContact CG-CE1 3.7Å; L252-Y289 PolarHBondContact N-OH 3.45Å; L252-Y289 PolarHBondContact O-OH 3.39Å; Q257-Y289 PolarHBondContact NE2-OH 3.22Å; S285-Y289 PolarHBondContact O-N 3.27Å; S285-Y289 VanDerWaalsContact O-N 3.07Å; Y286-Y289 PolarHBondContact O-N 2.98Å; L287-Y289 PolarHBondContact O-N 2.87Å; Y289-Y292 HydrophobicContact CD2-CD1 4.21Å; Y289-Y292 HydrophobicContact CE2-CD1 4.1Å; Y289-Y292 HydrophobicContact CE2-CE1 4.47Å; Y289-Y292 WeakPolarHBondContact O-CB 3.38Å; Y289-Y292 PolarHBondContact O-N 2.92Å; Y289-L293 HydrophobicContact CD1-CD1 4.17Å; Y289-L293 HydrophobicContact CD1-CG 4.4Å; Y289-L293 HydrophobicContact CE1-CD1 3.58Å; Y289-L293 HydrophobicContact CE1-CD2 4.36Å; Y289-L293 HydrophobicContact CE1-CG 3.94Å; Y289-L293 HydrophobicContact CE2-CD2 4.45Å; Y289-L293 WeakPolarHBondContact O-CG 3.1Å; Y289-L293 PolarHBondContact O-N 3.1Å
290	L	95.9	Very high	93.2	Very high	6 Å²	6	65.1 Å²	65.1	3%	0.031	33%	0.327	C	S	.	.	H	α-helix	trans	-66.9	-40.9	175.2	-169	73.2	0	0	0	111.8	V20 I260 F264 F270 F272 Y286 L287 Y292 L293 N294	V20-L290 HydrophobicContact CG1-CD2 4.06Å; I260-L290 HydrophobicContact CG2-CD1 3.68Å; F264-L290 HydrophobicContact CE1-CD1 3.85Å; F264-L290 HydrophobicContact CE1-CG 4.1Å; F264-L290 HydrophobicContact CZ-CD1 3.62Å; F264-L290 HydrophobicContact CZ-CG 3.97Å; F270-L290 HydrophobicContact CB-CD2 3.61Å; F270-L290 HydrophobicContact CD1-CD1 4.16Å; F270-L290 HydrophobicContact CD1-CD2 4.09Å; F270-L290 HydrophobicContact CD2-CD2 3.89Å; F270-L290 HydrophobicContact CE1-CD1 4.27Å; F270-L290 HydrophobicContact CG-CD1 4.42Å; F270-L290 HydrophobicContact CG-CD2 3.57Å; F272-L290 HydrophobicContact CE2-CD2 4.05Å; F272-L290 HydrophobicContact CZ-CB 4.11Å; F272-L290 HydrophobicContact CZ-CD2 3.94Å; Y286-L290 PolarHBondContact O-N 2.72Å; L287-L290 PolarHBondContact O-N 3.19Å; L290-Y292 VanDerWaalsContact C-N 3.32Å; L290-Y292 PolarHBondContact O-N 3.28Å; L290-L293 PolarHBondContact O-N 3.4Å; L290-N294 PolarHBondContact O-N 3.26Å
291	E	94.6	Very high	93.1	Very high	51 Å²	51	61 Å²	61	24%	0.238	31%	0.311	C	S	.	.	H	α-helix	trans	-59.3	-43.7	172.1	-70.8	174.8	167	0	0	111.2	L287 N294 Q295	L287-E291 WeakPolarHBondContact O-CG 3.44Å; L287-E291 PolarHBondContact O-N 3.1Å; E291-N294 PolarHBondContact O-N 2.8Å; E291-Q295 WeakPolarHBondContact O-CB 3.48Å; E291-Q295 VanDerWaalsContact O-CG 3.3Å; E291-Q295 WeakPolarHBondContact O-CG 3.24Å; E291-Q295 PolarHBondContact O-N 2.72Å
292	Y	95.3	Very high	92.8	Very high	123 Å²	123	62.6 Å²	62.6	48%	0.482	33%	0.325	S	S	.	.	H	α-helix	trans	-57.9	-47.8	173.4	167.6	-95.4	0	0	0	111.3	Q288 Y289 L290 N294 Q295 N296	Q288-Y292 WeakPolarHBondContact O-CB 3.49Å; Q288-Y292 PolarHBondContact O-N 3.43Å; Y289-Y292 HydrophobicContact CD2-CD1 4.21Å; Y289-Y292 HydrophobicContact CE2-CD1 4.1Å; Y289-Y292 HydrophobicContact CE2-CE1 4.47Å; Y289-Y292 WeakPolarHBondContact O-CB 3.38Å; Y289-Y292 PolarHBondContact O-N 2.92Å; L290-Y292 VanDerWaalsContact C-N 3.32Å; L290-Y292 PolarHBondContact O-N 3.28Å; Y292-N294 PolarHBondContact O-N 3.15Å; Y292-Q295 PolarHBondContact O-N 2.91Å; Y292-N296 WeakPolarHBondContact CD2-ND2 2.97Å; Y292-N296 WeakPolarHBondContact CE2-ND2 3.41Å; Y292-N296 WeakPolarHBondContact O-CB 3.24Å; Y292-N296 PolarHBondContact O-N 2.9Å; Y292-N296 PolarHBondContact O-ND2 3.19Å
293	L	95.8	Very high	92.6	Very high	4 Å²	4	59.3 Å²	59.3	2%	0.021	31%	0.306	C	S	.	.	H	α-helix	trans	-60	-45.6	176.7	-69.4	-178.6	0	0	0	111.6	L252 Q257 I260 F261 F264 Y289 L290 Q295 N296 R297	L252-L293 HydrophobicContact CD1-CD1 4.27Å; Q257-L293 HydrophobicContact CG-CD1 4.18Å; Q257-L293 HydrophobicContact CG-CD2 3.95Å; I260-L293 HydrophobicContact CG2-CD1 4.1Å; F261-L293 HydrophobicContact CE1-CB 4.41Å; F261-L293 WeakPolarHBondContact CE1-O 3.29Å; F261-L293 HydrophobicContact CZ-CD2 4.25Å; F264-L293 HydrophobicContact CE2-CB 3.98Å; F264-L293 HydrophobicContact CZ-CB 4.25Å; Y289-L293 HydrophobicContact CD1-CD1 4.17Å; Y289-L293 HydrophobicContact CD1-CG 4.4Å; Y289-L293 HydrophobicContact CE1-CD1 3.58Å; Y289-L293 HydrophobicContact CE1-CD2 4.36Å; Y289-L293 HydrophobicContact CE1-CG 3.94Å; Y289-L293 HydrophobicContact CE2-CD2 4.45Å; Y289-L293 WeakPolarHBondContact O-CG 3.1Å; Y289-L293 PolarHBondContact O-N 3.1Å; L290-L293 PolarHBondContact O-N 3.4Å; L293-Q295 VanDerWaalsContact C-N 3.32Å; L293-Q295 PolarHBondContact O-N 3.03Å; L293-N296 CarbonylContact O-C 3.56Å; L293-N296 PolarHBondContact O-N 3.12Å; L293-N296 VanDerWaalsContact O-N 3.13Å; L293-R297 PolarHBondContact O-N 2.92Å; L293-R297 VanDerWaalsContact O-N 3.17Å
294	N	93.3	Very high	92.3	Very high	17 Å²	17	61.6 Å²	61.6	9%	0.091	32%	0.317	C	S	.	.	H	α-helix	trans	-63.2	-37.2	-180	-175.9	53.2	0	0	0	112.7	S18 V20 F264 L290 E291 Y292 N296 R297	S18-N294 PolarHBondContact O-ND2 2.94Å; V20-N294 HydrophobicContact CG2-CB 3.62Å; V20-N294 WeakPolarHBondContact CG2-ND2 3.24Å; F264-N294 HydrophobicContact CD2-CB 4.43Å; F264-N294 HydrophobicContact CE1-CB 4.35Å; F264-N294 HydrophobicContact CE2-CB 3.87Å; F264-N294 HydrophobicContact CZ-CB 3.82Å; L290-N294 PolarHBondContact O-N 3.26Å; E291-N294 PolarHBondContact O-N 2.8Å; Y292-N294 PolarHBondContact O-N 3.15Å; N294-N296 VanDerWaalsContact C-N 3.32Å; N294-R297 WeakPolarHBondContact O-CD 3.35Å; N294-R297 VanDerWaalsContact O-CG 3.24Å; N294-R297 WeakPolarHBondContact O-CG 3.47Å; N294-R297 PolarHBondContact OD1-NE 3.21Å; N294-R297 PolarHBondContact OD1-NH1 3.22Å
295	Q	91.9	Very high	92	Very high	148 Å²	148	62.1 Å²	62.1	69%	0.692	33%	0.326	S	S	*	.	H	α-helix	trans	-70.2	-28.5	175.3	-71.5	172	11.1	0	0	113	E291 Y292 L293	E291-Q295 WeakPolarHBondContact O-CB 3.48Å; E291-Q295 VanDerWaalsContact O-CG 3.3Å; E291-Q295 WeakPolarHBondContact O-CG 3.24Å; E291-Q295 PolarHBondContact O-N 2.72Å; Y292-Q295 PolarHBondContact O-N 2.91Å; L293-Q295 VanDerWaalsContact C-N 3.32Å; L293-Q295 PolarHBondContact O-N 3.03Å
296	N	91.5	Very high	91.7	Very high	92 Å²	92	64.8 Å²	64.8	49%	0.492	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	16.3	-178	-69.7	-90	0	0	0	113.1	Y292 L293 N294	Y292-N296 WeakPolarHBondContact CD2-ND2 2.97Å; Y292-N296 WeakPolarHBondContact CE2-ND2 3.41Å; Y292-N296 WeakPolarHBondContact O-CB 3.24Å; Y292-N296 PolarHBondContact O-N 2.9Å; Y292-N296 PolarHBondContact O-ND2 3.19Å; L293-N296 CarbonylContact O-C 3.56Å; L293-N296 PolarHBondContact O-N 3.12Å; L293-N296 VanDerWaalsContact O-N 3.13Å; N294-N296 VanDerWaalsContact C-N 3.32Å
297	R	89.3	Confident	91.4	Very high	101 Å²	101	64.9 Å²	64.9	38%	0.381	34%	0.338	S	S	.	.	S	Bend	trans	-75.3	153.1	172.4	77.3	-169.8	178.2	164.3	0.9	110.6	F261 L293 N294 A299	F261-R297 HydrophobicContact CD1-CB 3.89Å; F261-R297 HydrophobicContact CE1-CB 3.8Å; L293-R297 PolarHBondContact O-N 2.92Å; L293-R297 VanDerWaalsContact O-N 3.17Å; N294-R297 WeakPolarHBondContact O-CD 3.35Å; N294-R297 VanDerWaalsContact O-CG 3.24Å; N294-R297 WeakPolarHBondContact O-CG 3.47Å; N294-R297 PolarHBondContact OD1-NE 3.21Å; N294-R297 PolarHBondContact OD1-NH1 3.22Å; R297-A299 PolarHBondContact O-N 3.18Å
298	P	86.9	Confident	91.3	Very high	113 Å²	113	71.8 Å²	71.8	73%	0.734	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-52.5	134.1	173.9	-25.4	34.6	0	0	0	111.3
299	A	87.6	Confident	91.2	Very high	87 Å²	87	70.3 Å²	70.3	72%	0.719	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-64.7	143.1	175.5	0	0	0	0	0	110	R297 N301	R297-A299 PolarHBondContact O-N 3.18Å; A299-N301 PolarHBondContact O-N 3.46Å
300	P	87.2	Confident	91.1	Very high	66 Å²	66	73.9 Å²	73.9	43%	0.429	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-62.5	137.1	178.3	27.1	-34.6	0	0	0	110.3	E304 L305	P300-E304 VanDerWaalsContact CA-OE2 3.22Å; P300-E304 WeakPolarHBondContact CA-OE2 3.21Å; P300-E304 HydrophobicContact CB-CB 3.77Å; P300-L305 HydrophobicContact CB-CD2 4.21Å; P300-L305 HydrophobicContact CB-CG 4.12Å; P300-L305 HydrophobicContact CG-CD2 3.63Å; P300-L305 HydrophobicContact CG-CG 3.98Å
301	N	89.1	Confident	91.2	Very high	83 Å²	83	76.7 Å²	76.7	44%	0.444	40%	0.404	S	S	.	.			trans	-74.4	175.9	174	66.9	45.3	0	0	0	111.4	A299 Y303 E304 L305	A299-N301 PolarHBondContact O-N 3.46Å; N301-Y303 VanDerWaalsContact C-N 3.27Å; N301-Y303 PolarHBondContact O-N 2.81Å; N301-Y303 WeakPolarHBondContact OD1-CA 3.37Å; N301-Y303 VanDerWaalsContact OD1-CB 3.31Å; N301-Y303 WeakPolarHBondContact OD1-CB 3.28Å; N301-Y303 PolarHBondContact OD1-N 3.19Å; N301-E304 PolarHBondContact N-OE2 2.77Å; N301-E304 PolarHBondContact ND2-OE2 3.21Å; N301-E304 PolarHBondContact O-N 3.38Å; N301-E304 PolarHBondContact OD1-N 2.95Å; N301-L305 WeakPolarHBondContact O-CG 3.4Å; N301-L305 PolarHBondContact O-N 2.89Å
302	T	87.6	Confident	91.3	Very high	89 Å²	89	74.5 Å²	74.5	55%	0.546	39%	0.394	S	S	.	.	H	α-helix	trans	-58.4	-38.2	-178.6	45.4	0	0	0	0	113.1	L305 F306	T302-L305 PolarHBondContact O-N 3.1Å; T302-F306 WeakPolarHBondContact O-CB 3.4Å; T302-F306 PolarHBondContact O-N 2.88Å
303	Y	86.9	Confident	91.4	Very high	30 Å²	30	75.1 Å²	75.1	12%	0.118	40%	0.397	C	S	.	.	H	α-helix	trans	-66.6	-45.6	176.6	178.4	-93.8	0	0	0	111.6	N301 L305 F306 A307 R511 M582 F583 F586	N301-Y303 VanDerWaalsContact C-N 3.27Å; N301-Y303 PolarHBondContact O-N 2.81Å; N301-Y303 WeakPolarHBondContact OD1-CA 3.37Å; N301-Y303 VanDerWaalsContact OD1-CB 3.31Å; N301-Y303 WeakPolarHBondContact OD1-CB 3.28Å; N301-Y303 PolarHBondContact OD1-N 3.19Å; Y303-L305 VanDerWaalsContact C-N 3.34Å; Y303-L305 PolarHBondContact O-N 2.67Å; Y303-F306 PolarHBondContact O-N 3.26Å; Y303-A307 WeakPolarHBondContact O-CB 3.42Å; Y303-A307 PolarHBondContact O-N 3.43Å; Y303-R511 VanDerWaalsContact OH-CD 3.29Å; Y303-R511 WeakPolarHBondContact OH-CD 3.36Å; Y303-M582 VanDerWaalsContact CD2-O 3.25Å; Y303-M582 WeakPolarHBondContact CD2-O 3.36Å; Y303-F583 HydrophobicContact CD2-CB 3.67Å; Y303-F583 HydrophobicContact CE2-CB 4.23Å; Y303-F586 HydrophobicContact CE2-CD1 4.38Å; Y303-F586 HydrophobicContact CE2-CE1 4.3Å
304	E	88.6	Confident	91.5	Very high	64 Å²	64	76.2 Å²	76.2	30%	0.299	40%	0.402	S	S	.	.	H	α-helix	trans	-64.9	-36	176.7	-70.4	172.7	140.1	0	0	112.2	K265 P300 N301 K308	K265-E304 IonicContact NZ-OE1 2.77Å; P300-E304 VanDerWaalsContact CA-OE2 3.22Å; P300-E304 WeakPolarHBondContact CA-OE2 3.21Å; P300-E304 HydrophobicContact CB-CB 3.77Å; N301-E304 PolarHBondContact N-OE2 2.77Å; N301-E304 PolarHBondContact ND2-OE2 3.21Å; N301-E304 PolarHBondContact O-N 3.38Å; N301-E304 PolarHBondContact OD1-N 2.95Å; E304-K308 PolarHBondContact O-N 3.47Å
305	L	89.6	Confident	91.8	Very high	109 Å²	109	78 Å²	78	57%	0.571	41%	0.41	S	S	*	.	H	α-helix	trans	-66.7	-41.6	174.7	-75.4	171.6	0	0	0	112.3	P300 N301 T302 Y303	P300-L305 HydrophobicContact CB-CD2 4.21Å; P300-L305 HydrophobicContact CB-CG 4.12Å; P300-L305 HydrophobicContact CG-CD2 3.63Å; P300-L305 HydrophobicContact CG-CG 3.98Å; N301-L305 WeakPolarHBondContact O-CG 3.4Å; N301-L305 PolarHBondContact O-N 2.89Å; T302-L305 PolarHBondContact O-N 3.1Å; Y303-L305 VanDerWaalsContact C-N 3.34Å; Y303-L305 PolarHBondContact O-N 2.67Å
306	F	90.1	Very high	92	Very high	61 Å²	61	75.6 Å²	75.6	27%	0.268	41%	0.409	S	S	.	.	H	α-helix	trans	-69.1	-42.4	176.9	177.6	-91	0	0	0	111.9	T302 Y303 K308 V332 F583 F586	T302-F306 WeakPolarHBondContact O-CB 3.4Å; T302-F306 PolarHBondContact O-N 2.88Å; Y303-F306 PolarHBondContact O-N 3.26Å; F306-K308 PolarHBondContact O-N 2.87Å; F306-V332 HydrophobicContact CE2-CG1 4.33Å; F306-V332 HydrophobicContact CZ-CG1 3.8Å; F306-F583 HydrophobicContact CB-CB 4.39Å; F306-F583 HydrophobicContact CB-CD2 4.37Å; F306-F583 HydrophobicContact CB-CG 4.19Å; F306-F583 HydrophobicContact CD1-CB 3.74Å; F306-F583 AromaticContact CD1-CD2 3.75Å; F306-F583 HydrophobicContact CD1-CD2 3.75Å; F306-F583 AromaticContact CD1-CG 3.96Å; F306-F583 HydrophobicContact CD1-CG 3.96Å; F306-F583 AromaticContact CD2-CD2 3.59Å; F306-F583 HydrophobicContact CD2-CD2 3.59Å; F306-F583 AromaticContact CD2-CE2 3.73Å; F306-F583 HydrophobicContact CD2-CE2 3.73Å; F306-F583 HydrophobicContact CD2-CG 4.26Å; F306-F583 HydrophobicContact CD2-CZ 4.48Å; F306-F583 HydrophobicContact CE1-CB 4.24Å; F306-F583 AromaticContact CE1-CD2 3.84Å; F306-F583 HydrophobicContact CE1-CD2 3.84Å; F306-F583 HydrophobicContact CE1-CG 4.41Å; F306-F583 AromaticContact CE2-CD2 3.69Å; F306-F583 HydrophobicContact CE2-CD2 3.69Å; F306-F583 AromaticContact CE2-CE2 3.8Å; F306-F583 HydrophobicContact CE2-CE2 3.8Å; F306-F583 HydrophobicContact CG-CB 4.1Å; F306-F583 AromaticContact CG-CD2 3.62Å; F306-F583 HydrophobicContact CG-CD2 3.62Å; F306-F583 HydrophobicContact CG-CE2 4.19Å; F306-F583 AromaticContact CG-CG 3.87Å; F306-F583 HydrophobicContact CG-CG 3.87Å; F306-F583 AromaticContact CZ-CD2 3.81Å; F306-F583 HydrophobicContact CZ-CD2 3.81Å; F306-F583 HydrophobicContact CZ-CE2 4.33Å; F306-F586 HydrophobicContact CD1-CZ 4.33Å; F306-F586 HydrophobicContact CE1-CZ 4.22Å
307	A	91.6	Very high	92.3	Very high	2 Å²	2	71.6 Å²	71.6	2%	0.017	39%	0.388	C	S	.	.	H	α-helix	trans	-76.3	-6.3	-176.6	0	0	0	0	0	114.2	Y303 G309 Y310 R511 F586	Y303-A307 WeakPolarHBondContact O-CB 3.42Å; Y303-A307 PolarHBondContact O-N 3.43Å; A307-G309 PolarHBondContact O-N 2.8Å; A307-Y310 WeakPolarHBondContact O-CB 3.44Å; A307-Y310 PolarHBondContact O-N 3.14Å; A307-R511 HydrophobicContact CB-CG 4.01Å; A307-F586 HydrophobicContact CB-CE1 3.73Å; A307-F586 HydrophobicContact CB-CZ 3.81Å
308	K	92.1	Very high	92.6	Very high	148 Å²	148	69.8 Å²	69.8	64%	0.643	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	124.5	-179.2	-173	179.2	179.7	-176.9	0	111.4	E304 F306 E311	E304-K308 PolarHBondContact O-N 3.47Å; F306-K308 PolarHBondContact O-N 2.87Å; K308-E311 WeakPolarHBondContact CA-OE1 3.11Å
309	G	93.3	Very high	93.1	Very high	60 Å²	60	65.6 Å²	65.6	62%	0.619	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.3	-9.7	-175.1	0	0	0	0	0	113.9	A307 E311	A307-G309 PolarHBondContact O-N 2.8Å; G309-E311 WeakPolarHBondContact CA-OE2 3.36Å; G309-E311 PolarHBondContact N-OE2 3.44Å
310	Y	95.4	Very high	93.5	Very high	98 Å²	98	62.9 Å²	62.9	38%	0.384	33%	0.331	S	S	.	.			trans	-102.6	-0.9	177.2	-67.5	-84.4	0	0	0	113.1	A307 D312 Y313 R511 F586	A307-Y310 WeakPolarHBondContact O-CB 3.44Å; A307-Y310 PolarHBondContact O-N 3.14Å; Y310-D312 PolarHBondContact O-N 2.92Å; Y310-D312 VanDerWaalsContact O-N 3.1Å; Y310-Y313 HydrophobicContact CD1-CD1 4.07Å; Y310-Y313 WeakPolarHBondContact O-CB 3.44Å; Y310-Y313 PolarHBondContact O-N 3.45Å; Y310-R511 WeakPolarHBondContact O-CB 3.46Å; Y310-F586 HydrophobicContact CD1-CE2 4.21Å; Y310-F586 HydrophobicContact CD2-CE2 4.36Å; Y310-F586 HydrophobicContact CD2-CZ 4.48Å; Y310-F586 AromaticContact CG-CE2 3.83Å; Y310-F586 HydrophobicContact CG-CE2 3.83Å; Y310-F586 HydrophobicContact CG-CZ 4.32Å
311	E	96.8	Very high	93.9	Very high	65 Å²	65	60.9 Å²	60.9	30%	0.304	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-57.5	114.7	-178.1	-63.6	90.7	161.5	0	0	112	K308 G309 Y313 H513	K308-E311 WeakPolarHBondContact CA-OE1 3.11Å; G309-E311 WeakPolarHBondContact CA-OE2 3.36Å; G309-E311 PolarHBondContact N-OE2 3.44Å; E311-Y313 PolarHBondContact O-N 3.3Å; E311-H513 HydrophobicContact CB-CB 3.76Å; E311-H513 HydrophobicContact CG-CB 4.11Å
312	D	97.6	Very high	94.2	Very high	5 Å²	5	61.6 Å²	61.6	3%	0.027	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	20.6	-173.5	-55.2	-47.2	0	0	0	114.9	Y310 K485 L486 R511 H513 N514	Y310-D312 PolarHBondContact O-N 2.92Å; Y310-D312 VanDerWaalsContact O-N 3.1Å; D312-K485 HydrophobicContact CB-CD 4.23Å; D312-K485 WeakPolarHBondContact OD2-CD 3.5Å; D312-K485 WeakPolarHBondContact OD2-CE 3.44Å; D312-K485 IonicContact OD2-NZ 2.76Å; D312-K485 PolarHBondContact OD2-NZ 3.43Å; D312-L486 HydrophobicContact CB-CD2 3.73Å; D312-L486 HydrophobicContact CB-CG 4.45Å; D312-R511 PolarHBondContact N-O 3.26Å; D312-H513 PolarHBondContact OD1-N 2.72Å; D312-N514 PolarHBondContact OD1-N 2.71Å; D312-N514 VanDerWaalsContact OD2-CB 3.32Å; D312-N514 WeakPolarHBondContact OD2-CB 3.35Å; D312-N514 PolarHBondContact OD2-N 2.77Å
313	Y	97.9	Very high	94.6	Very high	136 Å²	136	61.4 Å²	61.4	53%	0.533	32%	0.315	S	S	.	.			trans	-81	117.4	173.8	-177.4	-106.6	0	0	0	110.4	Y310 E311 Q315	Y310-Y313 HydrophobicContact CD1-CD1 4.07Å; Y310-Y313 WeakPolarHBondContact O-CB 3.44Å; Y310-Y313 PolarHBondContact O-N 3.45Å; E311-Y313 PolarHBondContact O-N 3.3Å; Y313-Q315 HydrophobicContact CD1-CG 3.5Å; Y313-Q315 VanDerWaalsContact CD1-CG 3.5Å; Y313-Q315 HydrophobicContact CE1-CG 3.6Å
314	L	98.3	Very high	95	Very high	26 Å²	26	63.6 Å²	63.6	14%	0.136	33%	0.328	C	S	.	.			trans	-77.8	125.5	-178.8	-60.5	179.7	0	0	0	111.1	L486 E489 V490 Y508 V510 L589	L314-L486 HydrophobicContact CD2-CD2 4.08Å; L314-E489 HydrophobicContact CD1-CB 3.73Å; L314-E489 HydrophobicContact CG-CB 4.2Å; L314-V490 HydrophobicContact CD1-CB 4.29Å; L314-V490 HydrophobicContact CD1-CG2 3.6Å; L314-V490 HydrophobicContact CD2-CG2 4.39Å; L314-Y508 HydrophobicContact CB-CD1 3.88Å; L314-Y508 HydrophobicContact CB-CE1 4.5Å; L314-Y508 HydrophobicContact CB-CG 4.25Å; L314-Y508 HydrophobicContact CD2-CG 4.17Å; L314-V510 HydrophobicContact CD2-CB 4.06Å; L314-V510 HydrophobicContact CD2-CG1 4.4Å; L314-V510 HydrophobicContact CD2-CG2 4.07Å; L314-L589 HydrophobicContact CD2-CD2 4.08Å
315	Q	97.9	Very high	95.4	Very high	56 Å²	56	61.5 Å²	61.5	26%	0.262	32%	0.319	S	S	.	.	B	Isolated β-bridge	trans	-123.1	143.1	177.5	-58.6	173.7	-99.2	0	0	110	Y313 Y508 V509	Y313-Q315 HydrophobicContact CD1-CG 3.5Å; Y313-Q315 VanDerWaalsContact CD1-CG 3.5Å; Y313-Q315 HydrophobicContact CE1-CG 3.6Å; Q315-Y508 CarbonylContact O-C 3.38Å; Q315-Y508 VanDerWaalsContact O-CA 3.31Å; Q315-Y508 WeakPolarHBondContact O-CA 3.38Å; Q315-V509 HydrophobicContact CB-CB 4.34Å; Q315-V509 WeakPolarHBondContact CB-O 3.27Å; Q315-V509 PolarHBondContact N-O 2.97Å; Q315-V509 PolarHBondContact O-N 3.21Å
316	S	96.6	Very high	95.7	Very high	96 Å²	96	62.9 Å²	62.9	67%	0.671	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-65.1	133	167.6	-61.1	0	0	0	0	109.5	L318	S316-L318 PolarHBondContact O-N 3.19Å
317	P	97.3	Very high	96	Very high	8 Å²	8	63.5 Å²	63.5	5%	0.052	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-58.3	138.1	170.5	-18.9	29.6	0	0	0	110.2	P507 V509 I588	P317-P507 WeakPolarHBondContact CD-O 3.38Å; P317-P507 HydrophobicContact CG-CG 4.28Å; P317-P507 WeakPolarHBondContact CG-O 3.38Å; P317-V509 HydrophobicContact CB-CG2 3.95Å; P317-V509 HydrophobicContact CG-CG2 4.09Å; P317-I588 HydrophobicContact CB-CD1 4.46Å; P317-I588 HydrophobicContact CG-CD1 3.9Å; P317-I588 HydrophobicContact CG-CG1 4.46Å
318	L	95.9	Very high	96.1	Very high	63 Å²	63	70.1 Å²	70.1	33%	0.33	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-63.5	151.3	177	-62.4	175.2	0	0	0	110.3	S316 P320 L325 T329 F333	S316-L318 PolarHBondContact O-N 3.19Å; L318-P320 HydrophobicContact CB-CG 4.35Å; L318-L325 HydrophobicContact CD2-CD2 4.45Å; L318-T329 HydrophobicContact CD1-CG2 3.87Å; L318-F333 HydrophobicContact CD1-CE1 4.08Å; L318-F333 HydrophobicContact CD1-CZ 3.56Å
319	Q	97.6	Very high	96.2	Very high	26 Å²	26	64.7 Å²	64.7	12%	0.121	35%	0.345	C	S	.	.			trans	-127.5	71.3	173.1	-60.7	-164.4	10	0	0	110.6	L321 M322 D323 Y639 T640 I641	Q319-L321 PolarHBondContact O-N 2.87Å; Q319-L321 VanDerWaalsContact O-N 3.1Å; Q319-M322 HydrophobicContact CB-CB 4.21Å; Q319-M322 PolarHBondContact O-N 3.16Å; Q319-M322 VanDerWaalsContact O-N 3.14Å; Q319-D323 PolarHBondContact O-N 2.71Å; Q319-Y639 PolarHBondContact NE2-OH 3.22Å; Q319-T640 PolarHBondContact NE2-O 3.12Å; Q319-I641 HydrophobicContact CG-CG2 4.19Å
320	P	96.4	Very high	96.2	Very high	29 Å²	29	63 Å²	63	19%	0.188	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-19.9	-170.6	-22.7	35.1	0	0	0	114.9	L318 D323 L325 K399 E450	L318-P320 HydrophobicContact CB-CG 4.35Å; P320-D323 CarbonylContact C-O 3.47Å; P320-L325 HydrophobicContact CB-CD1 3.99Å; P320-L325 HydrophobicContact CB-CD2 4.33Å; P320-L325 HydrophobicContact CB-CG 4.11Å; P320-L325 HydrophobicContact CG-CD1 4.04Å; P320-L325 HydrophobicContact CG-CD2 4.26Å; P320-L325 HydrophobicContact CG-CG 4.41Å; P320-K399 WeakPolarHBondContact O-CE 3.16Å; P320-K399 PolarHBondContact O-NZ 3.42Å; P320-E450 HydrophobicContact CG-CG 4.49Å; P320-E450 WeakPolarHBondContact CG-OE2 3.32Å
321	L	95.6	Very high	96.2	Very high	25 Å²	25	62.3 Å²	62.3	13%	0.131	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-51.5	173.3	-175.5	63.3	0	0	0	111.2	Q319 K399 L451 L643	Q319-L321 PolarHBondContact O-N 2.87Å; Q319-L321 VanDerWaalsContact O-N 3.1Å; L321-K399 VanDerWaalsContact O-CE 3.25Å; L321-K399 WeakPolarHBondContact O-CE 3.49Å; L321-K399 PolarHBondContact O-NZ 3.07Å; L321-L451 HydrophobicContact CD2-CB 4.25Å; L321-L451 HydrophobicContact CD2-CD1 4.01Å; L321-L643 WeakPolarHBondContact CD2-OXT 3.44Å
322	M	95.3	Very high	95.9	Very high	98 Å²	98	62.2 Å²	62.2	48%	0.483	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-42.5	-179	-179.5	164.4	162	0	0	112.1	Q319 K616	Q319-M322 HydrophobicContact CB-CB 4.21Å; Q319-M322 PolarHBondContact O-N 3.16Å; Q319-M322 VanDerWaalsContact O-N 3.14Å; M322-K616 PolarHBondContact SD-NZ 3.25Å; M322-K616 VanDerWaalsContact SD-NZ 3.38Å
323	D	95.4	Very high	95.6	Very high	84 Å²	84	63.8 Å²	63.8	45%	0.449	33%	0.33	S	S	.	.	S	Bend	trans	-108.1	153	-174.7	-60.4	-41.4	0	0	0	111.6	Q319 P320 K399	Q319-D323 PolarHBondContact O-N 2.71Å; P320-D323 CarbonylContact C-O 3.47Å; D323-K399 PolarHBondContact O-NZ 2.84Å
324	N	96.8	Very high	95.4	Very high	76 Å²	76	60.3 Å²	60.3	41%	0.406	32%	0.319	S	S	.	.			trans	-91.4	115.5	170.5	-73.6	-28.1	0	0	0	109	K399	N324-K399 PolarHBondContact OD1-NZ 3.45Å
325	L	95.5	Very high	95.1	Very high	21 Å²	21	64.3 Å²	64.3	11%	0.11	34%	0.335	C	S	.	.			trans	-64.4	147.2	-179.4	-58.6	-176.8	0	0	0	111.9	L318 P320 T329 Y330 F333 N400	L318-L325 HydrophobicContact CD2-CD2 4.45Å; P320-L325 HydrophobicContact CB-CD1 3.99Å; P320-L325 HydrophobicContact CB-CD2 4.33Å; P320-L325 HydrophobicContact CB-CG 4.11Å; P320-L325 HydrophobicContact CG-CD1 4.04Å; P320-L325 HydrophobicContact CG-CD2 4.26Å; P320-L325 HydrophobicContact CG-CG 4.41Å; L325-T329 HydrophobicContact CD1-CG2 4.23Å; L325-T329 HydrophobicContact CD2-CG2 4.42Å; L325-Y330 HydrophobicContact CB-CD2 4.28Å; L325-Y330 HydrophobicContact CB-CE2 3.67Å; L325-Y330 HydrophobicContact CD1-CE1 4.24Å; L325-F333 HydrophobicContact CD1-CE2 3.74Å; L325-F333 HydrophobicContact CD1-CZ 4.32Å; L325-N400 PolarHBondContact O-ND2 3.15Å
326	E	96.6	Very high	94.9	Very high	138 Å²	138	61.6 Å²	61.6	65%	0.645	32%	0.322	S	S	*	.			trans	-75.7	156.7	174.5	-61.1	-178.9	-174.8	0	0	111.8	Q328 T329 Y330	E326-Q328 VanDerWaalsContact C-N 3.28Å; E326-Q328 PolarHBondContact O-N 3.27Å; E326-T329 WeakPolarHBondContact O-CB 3.33Å; E326-T329 PolarHBondContact O-N 2.84Å; E326-T329 VanDerWaalsContact O-N 3.11Å; E326-Y330 WeakPolarHBondContact O-CD2 3.26Å; E326-Y330 PolarHBondContact O-N 2.98Å
327	S	96.1	Very high	94.7	Very high	73 Å²	73	60.9 Å²	60.9	51%	0.51	32%	0.315	S	S	.	.	H	α-helix	trans	-57.8	-38.3	-179.2	-173.7	0	0	0	0	113.1	T329 Y330 E331 R374	S327-T329 VanDerWaalsContact C-N 3.33Å; S327-T329 PolarHBondContact O-N 3.46Å; S327-Y330 PolarHBondContact O-N 3.28Å; S327-E331 PolarHBondContact O-N 3.27Å; S327-R374 PolarHBondContact O-NH1 3.47Å; S327-R374 PolarHBondContact OG-NH1 3.36Å
328	Q	94.3	Very high	94.6	Very high	141 Å²	141	62.9 Å²	62.9	66%	0.659	33%	0.325	S	S	*	.	H	α-helix	trans	-67.4	-33.3	179.5	-67.7	179.5	10.9	0	0	112.1	E326 E331 V332	E326-Q328 VanDerWaalsContact C-N 3.28Å; E326-Q328 PolarHBondContact O-N 3.27Å; Q328-E331 WeakPolarHBondContact O-CB 3.47Å; Q328-E331 PolarHBondContact O-N 3.1Å; Q328-V332 WeakPolarHBondContact O-CG2 3.46Å; Q328-V332 PolarHBondContact O-N 3.49Å
329	T	92.7	Very high	94.7	Very high	35 Å²	35	59.9 Å²	59.9	22%	0.215	31%	0.31	C	S	.	.	H	α-helix	trans	-62.6	-45.7	175.7	-51.8	0	0	0	0	110.8	L318 L325 E326 S327 E331 V332 F333	L318-T329 HydrophobicContact CD1-CG2 3.87Å; L325-T329 HydrophobicContact CD1-CG2 4.23Å; L325-T329 HydrophobicContact CD2-CG2 4.42Å; E326-T329 WeakPolarHBondContact O-CB 3.33Å; E326-T329 PolarHBondContact O-N 2.84Å; E326-T329 VanDerWaalsContact O-N 3.11Å; S327-T329 VanDerWaalsContact C-N 3.33Å; S327-T329 PolarHBondContact O-N 3.46Å; T329-E331 VanDerWaalsContact C-N 3.34Å; T329-E331 PolarHBondContact O-N 3.43Å; T329-V332 PolarHBondContact O-N 2.98Å; T329-F333 HydrophobicContact CG2-CE1 4.26Å; T329-F333 HydrophobicContact CG2-CE2 3.99Å; T329-F333 HydrophobicContact CG2-CZ 3.74Å; T329-F333 WeakPolarHBondContact O-CG 3.36Å; T329-F333 PolarHBondContact O-N 3.06Å; T329-F333 VanDerWaalsContact O-N 3.15Å
330	Y	94.8	Very high	94.7	Very high	25 Å²	25	59.7 Å²	59.7	10%	0.098	31%	0.308	C	S	.	.	H	α-helix	trans	-61.3	-41.3	172.7	-69.1	-73.5	0	0	0	112.2	L325 E326 S327 V332 F333 E334 G373 R374 N400 A403	L325-Y330 HydrophobicContact CB-CD2 4.28Å; L325-Y330 HydrophobicContact CB-CE2 3.67Å; L325-Y330 HydrophobicContact CD1-CE1 4.24Å; E326-Y330 WeakPolarHBondContact O-CD2 3.26Å; E326-Y330 PolarHBondContact O-N 2.98Å; S327-Y330 PolarHBondContact O-N 3.28Å; Y330-V332 VanDerWaalsContact C-N 3.29Å; Y330-V332 PolarHBondContact O-N 2.64Å; Y330-F333 HydrophobicContact CD1-CD2 4.4Å; Y330-F333 WeakPolarHBondContact O-CB 3.35Å; Y330-F333 PolarHBondContact O-N 3.12Å; Y330-F333 VanDerWaalsContact O-N 3.14Å; Y330-E334 VanDerWaalsContact O-CG 3.28Å; Y330-E334 WeakPolarHBondContact O-CG 3.43Å; Y330-E334 PolarHBondContact O-N 2.79Å; Y330-G373 VanDerWaalsContact CE1-CA 3.5Å; Y330-R374 HydrophobicContact CD1-CG 4.38Å; Y330-R374 HydrophobicContact CD2-CG 4.15Å; Y330-R374 HydrophobicContact CG-CG 3.9Å; Y330-N400 PolarHBondContact OH-ND2 2.94Å; Y330-N400 VanDerWaalsContact OH-ND2 3.15Å; Y330-A403 HydrophobicContact CE2-CB 4.21Å
331	E	94.8	Very high	94.8	Very high	83 Å²	83	61 Å²	61	39%	0.388	32%	0.317	S	S	.	.	H	α-helix	trans	-61.2	-37.7	177.5	-163.7	-161.1	135.8	0	0	112.5	S327 Q328 T329 E334 K335	S327-E331 PolarHBondContact O-N 3.27Å; Q328-E331 WeakPolarHBondContact O-CB 3.47Å; Q328-E331 PolarHBondContact O-N 3.1Å; T329-E331 VanDerWaalsContact C-N 3.34Å; T329-E331 PolarHBondContact O-N 3.43Å; E331-E334 PolarHBondContact O-N 2.75Å; E331-K335 WeakPolarHBondContact O-CG 3.45Å; E331-K335 PolarHBondContact O-N 3.43Å; E331-K335 VanDerWaalsContact OE1-CE 3.29Å; E331-K335 WeakPolarHBondContact OE1-CE 3.45Å; E331-K335 IonicContact OE1-NZ 3.48Å; E331-K335 PolarHBondContact OE1-NZ 2.62Å
332	V	91.3	Very high	95	Very high	62 Å²	62	62.5 Å²	62.5	38%	0.376	32%	0.324	S	S	.	.	H	α-helix	trans	-64.7	-42.8	174.5	173.3	0	0	0	0	110.9	F306 Q328 T329 Y330 E334 K335	F306-V332 HydrophobicContact CE2-CG1 4.33Å; F306-V332 HydrophobicContact CZ-CG1 3.8Å; Q328-V332 WeakPolarHBondContact O-CG2 3.46Å; Q328-V332 PolarHBondContact O-N 3.49Å; T329-V332 PolarHBondContact O-N 2.98Å; Y330-V332 VanDerWaalsContact C-N 3.29Å; Y330-V332 PolarHBondContact O-N 2.64Å; V332-E334 VanDerWaalsContact C-N 3.31Å; V332-E334 PolarHBondContact O-N 3.01Å; V332-K335 PolarHBondContact O-N 2.81Å
333	F	90.1	Very high	95.1	Very high	38 Å²	38	57.8 Å²	57.8	17%	0.167	30%	0.301	C	S	.	.	H	α-helix	trans	-60.2	-42	175.1	-61.3	-25.9	0	0	0	112.4	L318 L325 T329 Y330 K335 D336 Y340	L318-F333 HydrophobicContact CD1-CE1 4.08Å; L318-F333 HydrophobicContact CD1-CZ 3.56Å; L325-F333 HydrophobicContact CD1-CE2 3.74Å; L325-F333 HydrophobicContact CD1-CZ 4.32Å; T329-F333 HydrophobicContact CG2-CE1 4.26Å; T329-F333 HydrophobicContact CG2-CE2 3.99Å; T329-F333 HydrophobicContact CG2-CZ 3.74Å; T329-F333 WeakPolarHBondContact O-CG 3.36Å; T329-F333 PolarHBondContact O-N 3.06Å; T329-F333 VanDerWaalsContact O-N 3.15Å; Y330-F333 HydrophobicContact CD1-CD2 4.4Å; Y330-F333 WeakPolarHBondContact O-CB 3.35Å; Y330-F333 PolarHBondContact O-N 3.12Å; Y330-F333 VanDerWaalsContact O-N 3.14Å; F333-K335 PolarHBondContact O-N 3.32Å; F333-D336 PolarHBondContact O-N 3.22Å; F333-Y340 WeakPolarHBondContact O-CE2 3.35Å; F333-Y340 PolarHBondContact O-OH 3.09Å
334	E	93.9	Very high	95.3	Very high	64 Å²	64	55.6 Å²	55.6	30%	0.299	29%	0.287	S	S	.	.	H	α-helix	trans	-69.2	-18.1	-177.2	-73.4	164	-146.9	0	0	113.7	Y330 E331 V332 D336 R374 P376	Y330-E334 VanDerWaalsContact O-CG 3.28Å; Y330-E334 WeakPolarHBondContact O-CG 3.43Å; Y330-E334 PolarHBondContact O-N 2.79Å; E331-E334 PolarHBondContact O-N 2.75Å; V332-E334 VanDerWaalsContact C-N 3.31Å; V332-E334 PolarHBondContact O-N 3.01Å; E334-D336 PolarHBondContact O-N 3.48Å; E334-R374 WeakPolarHBondContact OE1-CB 3.4Å; E334-R374 IonicContact OE1-CZ 2.57Å; E334-R374 IonicContact OE1-NE 3.92Å; E334-R374 PolarHBondContact OE1-NE 3.33Å; E334-R374 IonicContact OE1-NH2 2.63Å; E334-R374 PolarHBondContact OE1-NH2 2.72Å; E334-R374 IonicContact OE2-CZ 3.78Å; E334-R374 IonicContact OE2-NE 2.73Å; E334-R374 IonicContact OE2-NH2 2.98Å; E334-R374 PolarHBondContact OE2-NH2 3.46Å; E334-P376 HydrophobicContact CG-CB 4.25Å; E334-P376 HydrophobicContact CG-CG 4.03Å
335	K	93.1	Very high	95.4	Very high	109 Å²	109	54.9 Å²	54.9	47%	0.474	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-18.1	176.1	-76.6	170.8	-172.5	171.3	0	113.1	E331 V332 F333 P337 F583	E331-K335 WeakPolarHBondContact O-CG 3.45Å; E331-K335 PolarHBondContact O-N 3.43Å; E331-K335 VanDerWaalsContact OE1-CE 3.29Å; E331-K335 WeakPolarHBondContact OE1-CE 3.45Å; E331-K335 IonicContact OE1-NZ 3.48Å; E331-K335 PolarHBondContact OE1-NZ 2.62Å; V332-K335 PolarHBondContact O-N 2.81Å; F333-K335 PolarHBondContact O-N 3.32Å; K335-P337 WeakPolarHBondContact O-CD 2.92Å; K335-F583 HydrophobicContact CB-CE2 4.08Å; K335-F583 HydrophobicContact CB-CZ 4.44Å; K335-F583 VanDerWaalsContact O-CZ 3.23Å; K335-F583 WeakPolarHBondContact O-CZ 3.45Å
336	D	92.7	Very high	95.6	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.276	C	S	.	.			trans	-82.8	104.7	179.9	-169.1	-33.7	0	0	0	111.6	F333 E334 I338 K339 Y340 M582 F583 S584	F333-D336 PolarHBondContact O-N 3.22Å; E334-D336 PolarHBondContact O-N 3.48Å; D336-I338 VanDerWaalsContact C-N 3.32Å; D336-I338 PolarHBondContact O-N 2.84Å; D336-I338 WeakPolarHBondContact OD1-CB 3.41Å; D336-I338 PolarHBondContact OD1-N 2.92Å; D336-K339 HydrophobicContact CB-CB 4.31Å; D336-K339 PolarHBondContact OD1-N 3.38Å; D336-K339 VanDerWaalsContact OD1-N 3.09Å; D336-Y340 WeakPolarHBondContact O-CD2 3.48Å; D336-M582 WeakPolarHBondContact OD2-CG 3.29Å; D336-F583 HydrophobicContact CB-CD2 4.38Å; D336-F583 HydrophobicContact CB-CE2 4.05Å; D336-F583 HydrophobicContact CB-CZ 4.33Å; D336-F583 PolarHBondContact OD2-N 3.42Å; D336-S584 WeakPolarHBondContact CB-OG 3.16Å; D336-S584 WeakPolarHBondContact OD2-CB 3.39Å; D336-S584 PolarHBondContact OD2-N 3.11Å; D336-S584 PolarHBondContact OD2-OG 2.77Å
337	P	92.6	Very high	95.7	Very high	80 Å²	80	47.3 Å²	47.3	52%	0.519	25%	0.246	S	C	.	.	H	α-helix	trans	-74.3	-26.9	-178.2	32.4	-35.3	0	0	0	112.3	K335 S341	K335-P337 WeakPolarHBondContact O-CD 2.92Å; P337-S341 WeakPolarHBondContact O-CB 3.43Å; P337-S341 PolarHBondContact O-N 3.12Å; P337-S341 VanDerWaalsContact O-N 3.16Å; P337-S341 PolarHBondContact O-OG 3.5Å
338	I	96.2	Very high	95.8	Very high	50 Å²	50	46.6 Å²	46.6	26%	0.256	23%	0.233	S	C	.	.	H	α-helix	trans	-70.5	-46.9	-172.5	-55.1	-56.3	0	0	0	109.1	D336 Y340 S341 Q342 M582	D336-I338 VanDerWaalsContact C-N 3.32Å; D336-I338 PolarHBondContact O-N 2.84Å; D336-I338 WeakPolarHBondContact OD1-CB 3.41Å; D336-I338 PolarHBondContact OD1-N 2.92Å; I338-Y340 PolarHBondContact O-N 3.25Å; I338-S341 PolarHBondContact O-N 3.31Å; I338-S341 PolarHBondContact O-OG 3.42Å; I338-Q342 HydrophobicContact CG2-CG 4.39Å; I338-Q342 WeakPolarHBondContact O-CG 3.2Å; I338-Q342 PolarHBondContact O-N 3.5Å; I338-M582 HydrophobicContact CB-CB 4.22Å; I338-M582 HydrophobicContact CG2-CB 4.26Å
339	K	97.6	Very high	96	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	21%	0.211	C	C	.	.	H	α-helix	trans	-49.6	-59.3	177.7	-178.1	169.5	71	171.6	0	111.9	D336 S341 Q342 Y343 E441 L571 W585	D336-K339 HydrophobicContact CB-CB 4.31Å; D336-K339 PolarHBondContact OD1-N 3.38Å; D336-K339 VanDerWaalsContact OD1-N 3.09Å; K339-S341 VanDerWaalsContact C-N 3.34Å; K339-S341 PolarHBondContact O-N 2.98Å; K339-Q342 PolarHBondContact O-N 3.03Å; K339-Y343 HydrophobicContact CG-CD2 4.18Å; K339-Y343 HydrophobicContact CG-CE2 4.2Å; K339-Y343 WeakPolarHBondContact O-CD2 3.46Å; K339-Y343 PolarHBondContact O-N 2.95Å; K339-Y343 VanDerWaalsContact O-N 3.11Å; K339-E441 HydrophobicContact CD-CG 4.18Å; K339-E441 IonicContact NZ-OE2 3.92Å; K339-E441 PolarHBondContact NZ-OE2 3.38Å; K339-L571 HydrophobicContact CG-CD1 4.24Å; K339-W585 HydrophobicContact CD-CH2 3.24Å; K339-W585 HydrophobicContact CD-CZ2 3.96Å; K339-W585 HydrophobicContact CD-CZ3 3.82Å; K339-W585 HydrophobicContact CG-CH2 4.02Å; K339-W585 HydrophobicContact CG-CZ3 4.4Å
340	Y	97.9	Very high	96.3	Very high	22 Å²	22	40.4 Å²	40.4	9%	0.086	20%	0.2	C	C	.	.	H	α-helix	trans	-71.8	-27.1	-174.9	-56.2	-70.4	0	0	0	113.6	F333 D336 I338 Q344 P376 L377	F333-Y340 WeakPolarHBondContact O-CE2 3.35Å; F333-Y340 PolarHBondContact O-OH 3.09Å; D336-Y340 WeakPolarHBondContact O-CD2 3.48Å; I338-Y340 PolarHBondContact O-N 3.25Å; Y340-Q344 WeakPolarHBondContact O-CB 3.45Å; Y340-Q344 PolarHBondContact O-N 2.87Å; Y340-P376 HydrophobicContact CD1-CB 3.78Å; Y340-P376 HydrophobicContact CD1-CG 4.22Å; Y340-P376 HydrophobicContact CE1-CB 3.48Å; Y340-P376 VanDerWaalsContact CE1-CB 3.48Å; Y340-P376 HydrophobicContact CE1-CG 3.44Å; Y340-P376 VanDerWaalsContact CE1-CG 3.44Å; Y340-P376 HydrophobicContact CE2-CB 4.32Å; Y340-P376 HydrophobicContact CG-CB 4.3Å; Y340-L377 HydrophobicContact CD1-CD2 3.96Å; Y340-L377 HydrophobicContact CD1-CG 4.34Å; Y340-L377 HydrophobicContact CE1-CD2 4.4Å; Y340-L377 HydrophobicContact CE1-CG 4.36Å
341	S	98.1	Very high	96.5	Very high	55 Å²	55	39.2 Å²	39.2	39%	0.385	20%	0.196	S	C	.	.	H	α-helix	trans	-66.3	-38.6	172.7	74.5	0	0	0	0	112.1	P337 I338 K339 Q344 Q345	P337-S341 WeakPolarHBondContact O-CB 3.43Å; P337-S341 PolarHBondContact O-N 3.12Å; P337-S341 VanDerWaalsContact O-N 3.16Å; P337-S341 PolarHBondContact O-OG 3.5Å; I338-S341 PolarHBondContact O-N 3.31Å; I338-S341 PolarHBondContact O-OG 3.42Å; K339-S341 VanDerWaalsContact C-N 3.34Å; K339-S341 PolarHBondContact O-N 2.98Å; S341-Q344 PolarHBondContact O-N 2.89Å; S341-Q345 WeakPolarHBondContact O-CB 3.48Å; S341-Q345 PolarHBondContact O-N 3.04Å
342	Q	98.6	Very high	96.7	Very high	57 Å²	57	38.2 Å²	38.2	27%	0.266	19%	0.193	S	C	.	.	H	α-helix	trans	-68.9	-41.7	176	-69.7	-71.2	98.4	0	0	111.4	I338 K339 Q345 A346 L565 V569 T570 L571	I338-Q342 HydrophobicContact CG2-CG 4.39Å; I338-Q342 WeakPolarHBondContact O-CG 3.2Å; I338-Q342 PolarHBondContact O-N 3.5Å; K339-Q342 PolarHBondContact O-N 3.03Å; Q342-Q345 PolarHBondContact O-N 2.92Å; Q342-A346 WeakPolarHBondContact O-CB 3.36Å; Q342-A346 PolarHBondContact O-N 2.85Å; Q342-L565 HydrophobicContact CB-CD1 3.87Å; Q342-V569 HydrophobicContact CB-CG1 4.26Å; Q342-V569 WeakPolarHBondContact O-CG1 3.31Å; Q342-T570 PolarHBondContact NE2-O 2.96Å; Q342-L571 HydrophobicContact CB-CD2 3.72Å; Q342-L571 HydrophobicContact CB-CG 4.3Å; Q342-L571 HydrophobicContact CG-CD2 3.65Å
343	Y	98.8	Very high	97	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61	-43.7	172	-88.2	-86.2	0	0	0	112.4	K339 Q345 A346 V347 L377 V439 S440 E441 I470 L565 L571	K339-Y343 HydrophobicContact CG-CD2 4.18Å; K339-Y343 HydrophobicContact CG-CE2 4.2Å; K339-Y343 WeakPolarHBondContact O-CD2 3.46Å; K339-Y343 PolarHBondContact O-N 2.95Å; K339-Y343 VanDerWaalsContact O-N 3.11Å; Y343-Q345 VanDerWaalsContact C-N 3.31Å; Y343-Q345 PolarHBondContact O-N 3.34Å; Y343-A346 PolarHBondContact O-N 3.04Å; Y343-V347 WeakPolarHBondContact O-CG2 3.22Å; Y343-V347 PolarHBondContact O-N 2.87Å; Y343-L377 HydrophobicContact CD1-CD2 3.69Å; Y343-L377 HydrophobicContact CD2-CD2 4.01Å; Y343-L377 HydrophobicContact CE1-CD2 4.35Å; Y343-L377 HydrophobicContact CG-CD2 3.49Å; Y343-L377 VanDerWaalsContact CG-CD2 3.49Å; Y343-V439 HydrophobicContact CD1-CG1 3.93Å; Y343-V439 HydrophobicContact CE1-CG1 4.22Å; Y343-S440 VanDerWaalsContact CE1-O 3.3Å; Y343-S440 WeakPolarHBondContact CE1-O 3.47Å; Y343-S440 PolarHBondContact OH-O 2.89Å; Y343-E441 HydrophobicContact CE2-CB 4.24Å; Y343-E441 HydrophobicContact CE2-CG 3.79Å; Y343-E441 WeakPolarHBondContact OH-CB 3.47Å; Y343-E441 WeakPolarHBondContact OH-CG 3.14Å; Y343-I470 HydrophobicContact CD1-CG2 4.07Å; Y343-I470 HydrophobicContact CE1-CG2 4.11Å; Y343-L565 HydrophobicContact CD1-CD1 4.36Å; Y343-L565 HydrophobicContact CD1-CD2 4.48Å; Y343-L565 HydrophobicContact CD2-CD1 3.94Å; Y343-L565 HydrophobicContact CE1-CD2 3.93Å; Y343-L565 HydrophobicContact CE2-CD1 4.16Å; Y343-L565 HydrophobicContact CE2-CD2 3.95Å; Y343-L565 HydrophobicContact CG-CD1 4.05Å; Y343-L571 HydrophobicContact CD2-CD1 4.29Å; Y343-L571 HydrophobicContact CE2-CD1 3.86Å
344	Q	98.8	Very high	97.4	Very high	37 Å²	37	39.8 Å²	39.8	17%	0.173	20%	0.197	C	C	.	.	H	α-helix	trans	-57.8	-45	173.9	179.4	178.6	-39.7	0	0	111.1	Y340 S341 V347 Y348 A380 R383 A384 Q387	Y340-Q344 WeakPolarHBondContact O-CB 3.45Å; Y340-Q344 PolarHBondContact O-N 2.87Å; S341-Q344 PolarHBondContact O-N 2.89Å; Q344-V347 PolarHBondContact O-N 2.87Å; Q344-Y348 VanDerWaalsContact O-CB 3.28Å; Q344-Y348 WeakPolarHBondContact O-CB 3.31Å; Q344-Y348 PolarHBondContact O-N 3.06Å; Q344-A380 HydrophobicContact CB-CB 4.17Å; Q344-R383 HydrophobicContact CG-CB 4.34Å; Q344-A384 HydrophobicContact CG-CB 3.93Å; Q344-A384 WeakPolarHBondContact O-CB 3.46Å; Q344-Q387 VanDerWaalsContact NE2-OE1 3.07Å
345	Q	98.8	Very high	97.6	Very high	61 Å²	61	36.8 Å²	36.8	29%	0.285	18%	0.183	S	C	.	.	H	α-helix	trans	-65.9	-38.1	179.7	-172.7	62.6	9.5	0	0	112.6	S341 Q342 Y343 Y348 K349 V569	S341-Q345 WeakPolarHBondContact O-CB 3.48Å; S341-Q345 PolarHBondContact O-N 3.04Å; Q342-Q345 PolarHBondContact O-N 2.92Å; Y343-Q345 VanDerWaalsContact C-N 3.31Å; Y343-Q345 PolarHBondContact O-N 3.34Å; Q345-Y348 PolarHBondContact O-N 3.45Å; Q345-K349 WeakPolarHBondContact O-CG 3.47Å; Q345-K349 PolarHBondContact O-N 2.93Å; Q345-V569 HydrophobicContact CB-CG1 4.46Å; Q345-V569 HydrophobicContact CG-CG2 4.06Å
346	A	98.9	Very high	97.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-63.5	-47.9	175.3	0	0	0	0	0	111.5	Q342 Y343 K349 C350 I470 L565 V569	Q342-A346 WeakPolarHBondContact O-CB 3.36Å; Q342-A346 PolarHBondContact O-N 2.85Å; Y343-A346 PolarHBondContact O-N 3.04Å; A346-K349 PolarHBondContact O-N 2.68Å; A346-C350 WeakPolarHBondContact O-CB 3.29Å; A346-C350 PolarHBondContact O-N 2.78Å; A346-I470 HydrophobicContact CB-CD1 4.3Å; A346-I470 HydrophobicContact CB-CG2 4.1Å; A346-L565 HydrophobicContact CB-CB 3.69Å; A346-L565 HydrophobicContact CB-CD1 4.37Å; A346-V569 HydrophobicContact CB-CB 4.25Å; A346-V569 HydrophobicContact CB-CG1 4.07Å
347	V	98.9	Very high	98	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.006	20%	0.2	C	C	.	.	H	α-helix	trans	-63.1	-42.9	176.5	175.4	0	0	0	0	110.9	Y343 Q344 K349 C350 L351 L367 A384 V439 I470	Y343-V347 WeakPolarHBondContact O-CG2 3.22Å; Y343-V347 PolarHBondContact O-N 2.87Å; Q344-V347 PolarHBondContact O-N 2.87Å; V347-K349 PolarHBondContact O-N 2.97Å; V347-C350 PolarHBondContact O-N 2.76Å; V347-L351 HydrophobicContact CG1-CD1 3.88Å; V347-L351 HydrophobicContact CG1-CG 4.22Å; V347-L351 VanDerWaalsContact O-CG 3.3Å; V347-L351 WeakPolarHBondContact O-CG 3.28Å; V347-L351 PolarHBondContact O-N 2.82Å; V347-L367 HydrophobicContact CG1-CD1 3.75Å; V347-L367 HydrophobicContact CG2-CD1 4.43Å; V347-A384 HydrophobicContact CB-CB 3.81Å; V347-A384 HydrophobicContact CG1-CB 3.64Å; V347-V439 HydrophobicContact CG2-CG2 3.86Å; V347-I470 HydrophobicContact CG2-CD1 4.06Å
348	Y	98.9	Very high	98.2	Very high	58 Å²	58	43 Å²	43	23%	0.227	21%	0.211	C	C	.	.	H	α-helix	trans	-56.6	-50.2	177.6	165.1	-99.1	0	0	0	111.8	Q344 Q345 L351 L352 Q387 A388	Q344-Y348 VanDerWaalsContact O-CB 3.28Å; Q344-Y348 WeakPolarHBondContact O-CB 3.31Å; Q344-Y348 PolarHBondContact O-N 3.06Å; Q345-Y348 PolarHBondContact O-N 3.45Å; Y348-L351 PolarHBondContact O-N 2.88Å; Y348-L352 HydrophobicContact CD1-CD1 4.45Å; Y348-L352 HydrophobicContact CD2-CD1 4.49Å; Y348-L352 HydrophobicContact CE1-CD1 3.77Å; Y348-L352 HydrophobicContact CE2-CD1 3.8Å; Y348-L352 HydrophobicContact CE2-CG 4.36Å; Y348-L352 PolarHBondContact O-N 3.04Å; Y348-L352 WeakPolarHBondContact OH-CD1 3.27Å; Y348-Q387 HydrophobicContact CD2-CB 4.01Å; Y348-Q387 HydrophobicContact CD2-CG 3.76Å; Y348-Q387 HydrophobicContact CE2-CB 4.32Å; Y348-Q387 HydrophobicContact CE2-CG 3.73Å; Y348-A388 HydrophobicContact CD2-CB 3.68Å; Y348-A388 HydrophobicContact CE2-CB 3.99Å
349	K	98.8	Very high	98.3	Very high	46 Å²	46	44.3 Å²	44.3	20%	0.2	22%	0.216	C	C	.	.	H	α-helix	trans	-62.7	-45.8	177.8	-75.4	-178.6	171.8	176.2	0	111.8	Q345 A346 V347 L351 L352 D353 Y566 D568 V569	Q345-K349 WeakPolarHBondContact O-CG 3.47Å; Q345-K349 PolarHBondContact O-N 2.93Å; A346-K349 PolarHBondContact O-N 2.68Å; V347-K349 PolarHBondContact O-N 2.97Å; K349-L351 VanDerWaalsContact C-N 3.33Å; K349-L351 PolarHBondContact O-N 2.93Å; K349-L352 PolarHBondContact O-N 2.81Å; K349-D353 PolarHBondContact O-N 2.72Å; K349-Y566 HydrophobicContact CB-CD1 3.92Å; K349-Y566 HydrophobicContact CB-CE1 4.08Å; K349-D568 IonicContact NZ-OD1 3.49Å; K349-D568 PolarHBondContact NZ-OD1 2.87Å; K349-D568 IonicContact NZ-OD2 2.55Å; K349-D568 PolarHBondContact NZ-OD2 3.19Å; K349-V569 HydrophobicContact CD-CG2 3.83Å
350	C	98.8	Very high	98.2	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59.3	-42.3	178.8	-173.2	0	0	0	0	112.1	A346 V347 L352 D353 R354 I437 I470 Y566	A346-C350 WeakPolarHBondContact O-CB 3.29Å; A346-C350 PolarHBondContact O-N 2.78Å; V347-C350 PolarHBondContact O-N 2.76Å; C350-L352 PolarHBondContact O-N 3.05Å; C350-D353 PolarHBondContact O-N 3.03Å; C350-R354 WeakPolarHBondContact O-CB 3.4Å; C350-R354 VanDerWaalsContact O-CG 3.3Å; C350-R354 WeakPolarHBondContact O-CG 3.26Å; C350-R354 PolarHBondContact O-N 2.79Å; C350-I437 HydrophobicContact CB-CD1 4.36Å; C350-I470 HydrophobicContact CB-CD1 4.12Å; C350-Y566 HydrophobicContact CB-CD1 4.17Å; C350-Y566 HydrophobicContact CB-CD2 4.22Å; C350-Y566 HydrophobicContact CB-CE1 4.01Å; C350-Y566 HydrophobicContact CB-CE2 4.06Å; C350-Y566 HydrophobicContact CB-CG 4.27Å
351	L	98.8	Very high	98.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-63.1	-41.6	177.5	-72.3	171	0	0	0	112.8	V347 Y348 K349 R354 V355 Q365 A385 A388 R390 L392 I437	V347-L351 HydrophobicContact CG1-CD1 3.88Å; V347-L351 HydrophobicContact CG1-CG 4.22Å; V347-L351 VanDerWaalsContact O-CG 3.3Å; V347-L351 WeakPolarHBondContact O-CG 3.28Å; V347-L351 PolarHBondContact O-N 2.82Å; Y348-L351 PolarHBondContact O-N 2.88Å; K349-L351 VanDerWaalsContact C-N 3.33Å; K349-L351 PolarHBondContact O-N 2.93Å; L351-R354 PolarHBondContact O-N 2.82Å; L351-V355 PolarHBondContact O-N 2.93Å; L351-Q365 HydrophobicContact CD2-CB 4.02Å; L351-Q365 HydrophobicContact CD2-CG 4.01Å; L351-A385 HydrophobicContact CD1-CB 4.08Å; L351-A388 HydrophobicContact CB-CB 4.18Å; L351-A388 HydrophobicContact CD1-CB 4.4Å; L351-R390 HydrophobicContact CB-CB 4.47Å; L351-R390 HydrophobicContact CB-CG 4.36Å; L351-L392 HydrophobicContact CD1-CD1 3.72Å; L351-L392 HydrophobicContact CD2-CD1 3.73Å; L351-L392 HydrophobicContact CG-CD1 4.29Å; L351-I437 HydrophobicContact CD2-CD1 3.77Å; L351-I437 HydrophobicContact CG-CD1 4.26Å
352	L	98.6	Very high	98.1	Very high	62 Å²	62	52.7 Å²	52.7	33%	0.325	26%	0.261	S	S	.	.	H	α-helix	trans	-66.7	-38.2	177	-70.1	-179	0	0	0	112.4	Y348 K349 C350 A388	Y348-L352 HydrophobicContact CD1-CD1 4.45Å; Y348-L352 HydrophobicContact CD2-CD1 4.49Å; Y348-L352 HydrophobicContact CE1-CD1 3.77Å; Y348-L352 HydrophobicContact CE2-CD1 3.8Å; Y348-L352 HydrophobicContact CE2-CG 4.36Å; Y348-L352 PolarHBondContact O-N 3.04Å; Y348-L352 WeakPolarHBondContact OH-CD1 3.27Å; K349-L352 PolarHBondContact O-N 2.81Å; C350-L352 PolarHBondContact O-N 3.05Å; L352-A388 HydrophobicContact CD2-CB 4.03Å; L352-A388 HydrophobicContact CG-CB 4.2Å
353	D	98.5	Very high	98.1	Very high	87 Å²	87	51.9 Å²	51.9	47%	0.465	26%	0.258	S	S	.	.	H	α-helix	trans	-69.9	-33.6	177.9	-72.4	-48.8	0	0	0	112.5	K349 C350 Y566 K567	K349-D353 PolarHBondContact O-N 2.72Å; C350-D353 PolarHBondContact O-N 3.03Å; D353-Y566 VanDerWaalsContact OD2-CE1 3.28Å; D353-Y566 WeakPolarHBondContact OD2-CE1 3.3Å; D353-Y566 PolarHBondContact OD2-OH 2.98Å; D353-Y566 VanDerWaalsContact OD2-OH 3.11Å; D353-K567 IonicContact OD1-NZ 2.7Å; D353-K567 PolarHBondContact OD1-NZ 3.2Å; D353-K567 VanDerWaalsContact OD1-NZ 3.1Å; D353-K567 WeakPolarHBondContact OD2-CE 3.31Å; D353-K567 IonicContact OD2-NZ 2.65Å; D353-K567 PolarHBondContact OD2-NZ 3.47Å
354	R	98.2	Very high	98	Very high	46 Å²	46	55.1 Å²	55.1	17%	0.174	28%	0.277	C	S	.	.	H	α-helix	trans	-85.4	-31.4	-178.4	-69.5	-174.4	67.4	73.3	3	113.9	C350 L351 D436 D466	C350-R354 WeakPolarHBondContact O-CB 3.4Å; C350-R354 VanDerWaalsContact O-CG 3.3Å; C350-R354 WeakPolarHBondContact O-CG 3.26Å; C350-R354 PolarHBondContact O-N 2.79Å; L351-R354 PolarHBondContact O-N 2.82Å; R354-D436 IonicContact CZ-OD1 2.63Å; R354-D436 IonicContact NH2-OD1 3.17Å; R354-D436 PolarHBondContact NH2-OD1 3.43Å; R354-D466 IonicContact CZ-OD2 2.64Å; R354-D466 PolarHBondContact NH1-O 2.7Å; R354-D466 IonicContact NH1-OD2 3.79Å; R354-D466 PolarHBondContact NH1-OD2 3.37Å; R354-D466 IonicContact NH2-OD1 3.65Å; R354-D466 IonicContact NH2-OD2 3.58Å; R354-D466 PolarHBondContact NH2-OD2 2.64Å
355	V	98.5	Very high	98	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.27	C	S	.	.	S	Bend	trans	-119.5	103.1	-176	-173.5	0	0	0	0	110.5	L351 Q359 N363 Q365 R390	L351-V355 PolarHBondContact O-N 2.93Å; V355-Q359 HydrophobicContact CG1-CB 4.09Å; V355-N363 HydrophobicContact CG1-CB 3.94Å; V355-N363 HydrophobicContact CG2-CB 4.5Å; V355-Q365 HydrophobicContact CG2-CG 3.38Å; V355-R390 HydrophobicContact CB-CG 4.4Å; V355-R390 PolarHBondContact O-NE 2.76Å; V355-R390 PolarHBondContact O-NH2 3.44Å
356	P	97.3	Very high	98	Very high	46 Å²	46	50.8 Å²	50.8	30%	0.299	26%	0.258	S	S	.	.			trans	-67.9	158.8	176.7	33.2	-37.3	0	0	0	110.6	E358 Q359 K360	P356-E358 VanDerWaalsContact C-N 3.26Å; P356-E358 WeakPolarHBondContact CB-OE1 3.47Å; P356-E358 HydrophobicContact CG-CG 4.36Å; P356-E358 PolarHBondContact O-N 3.2Å; P356-Q359 HydrophobicContact CG-CB 4.24Å; P356-Q359 HydrophobicContact CG-CG 4.15Å; P356-Q359 PolarHBondContact O-N 2.88Å; P356-K360 PolarHBondContact O-N 2.98Å
357	E	96.3	Very high	98	Very high	115 Å²	115	50.8 Å²	50.8	54%	0.537	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-59	-36.2	-170.5	-170.3	61.9	-153.8	0	0	112.7	Q359 K360 R390	E357-Q359 PolarHBondContact O-N 2.93Å; E357-Q359 VanDerWaalsContact O-N 3.16Å; E357-K360 VanDerWaalsContact O-CB 3.24Å; E357-K360 WeakPolarHBondContact O-CB 3.37Å; E357-K360 PolarHBondContact O-N 3.37Å; E357-K360 WeakPolarHBondContact OE1-CD 3.48Å; E357-R390 IonicContact OE1-NH1 3.23Å; E357-R390 IonicContact OE2-CZ 2.98Å; E357-R390 VanDerWaalsContact OE2-CZ 3.23Å; E357-R390 IonicContact OE2-NH1 3.73Å; E357-R390 PolarHBondContact OE2-NH1 3.18Å; E357-R390 IonicContact OE2-NH2 2.7Å; E357-R390 PolarHBondContact OE2-NH2 2.97Å
358	E	97.5	Very high	98	Very high	160 Å²	160	50.8 Å²	50.8	75%	0.748	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-64.2	-17.4	177.4	62.5	-89.4	-161.2	0	0	114.4	P356	P356-E358 VanDerWaalsContact C-N 3.26Å; P356-E358 WeakPolarHBondContact CB-OE1 3.47Å; P356-E358 HydrophobicContact CG-CG 4.36Å; P356-E358 PolarHBondContact O-N 3.2Å
359	Q	97.4	Very high	98	Very high	77 Å²	77	48 Å²	48	36%	0.36	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-108.3	3.8	-180	-69.9	-179.5	20.8	0	0	113.4	V355 P356 E357 D361 T362 N363	V355-Q359 HydrophobicContact CG1-CB 4.09Å; P356-Q359 HydrophobicContact CG-CB 4.24Å; P356-Q359 HydrophobicContact CG-CG 4.15Å; P356-Q359 PolarHBondContact O-N 2.88Å; E357-Q359 PolarHBondContact O-N 2.93Å; E357-Q359 VanDerWaalsContact O-N 3.16Å; Q359-D361 PolarHBondContact O-N 3.01Å; Q359-D361 VanDerWaalsContact O-N 3.1Å; Q359-T362 PolarHBondContact O-N 2.76Å; Q359-T362 VanDerWaalsContact O-N 3.07Å; Q359-T362 PolarHBondContact O-OG1 2.85Å; Q359-N363 HydrophobicContact CB-CB 3.87Å; Q359-N363 WeakPolarHBondContact O-CB 3.42Å; Q359-N363 PolarHBondContact O-N 2.74Å; Q359-N363 PolarHBondContact OE1-ND2 2.95Å
360	K	96.1	Very high	98	Very high	37 Å²	37	45.8 Å²	45.8	16%	0.161	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	-41.9	-176	160.9	173.2	159.6	-170.2	0	114.3	P356 E357 D389	P356-K360 PolarHBondContact O-N 2.98Å; E357-K360 VanDerWaalsContact O-CB 3.24Å; E357-K360 WeakPolarHBondContact O-CB 3.37Å; E357-K360 PolarHBondContact O-N 3.37Å; E357-K360 WeakPolarHBondContact OE1-CD 3.48Å; K360-D389 HydrophobicContact CD-CB 4.43Å; K360-D389 WeakPolarHBondContact CD-O 3.25Å; K360-D389 WeakPolarHBondContact CE-O 3.48Å; K360-D389 WeakPolarHBondContact CE-OD1 3.25Å; K360-D389 WeakPolarHBondContact CE-OD2 3.41Å; K360-D389 WeakPolarHBondContact CG-O 3.43Å; K360-D389 IonicContact NZ-OD1 3.91Å; K360-D389 PolarHBondContact NZ-OD1 2.91Å; K360-D389 IonicContact NZ-OD2 2.87Å; K360-D389 PolarHBondContact NZ-OD2 2.75Å
361	D	96.2	Very high	98	Very high	107 Å²	107	46.8 Å²	46.8	57%	0.572	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-13.8	-175.7	-70.1	-52.4	0	0	0	114.3	Q359 K391	Q359-D361 PolarHBondContact O-N 3.01Å; Q359-D361 VanDerWaalsContact O-N 3.1Å; D361-K391 WeakPolarHBondContact O-CD 3.33Å; D361-K391 VanDerWaalsContact O-CE 3.32Å; D361-K391 WeakPolarHBondContact O-CE 3.46Å; D361-K391 PolarHBondContact O-NZ 2.76Å
362	T	97.3	Very high	98	Very high	110 Å²	110	47 Å²	47	68%	0.675	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.7	-32.8	-172.7	53.4	0	0	0	0	112.7	Q359 V364	Q359-T362 PolarHBondContact O-N 2.76Å; Q359-T362 VanDerWaalsContact O-N 3.07Å; Q359-T362 PolarHBondContact O-OG1 2.85Å; T362-V364 PolarHBondContact O-N 2.68Å
363	N	97.9	Very high	98	Very high	39 Å²	39	44.3 Å²	44.3	21%	0.209	24%	0.236	C	C	.	.			trans	-90.8	106.6	-178.6	-172.9	-22.5	0	0	0	110.3	V355 Q359 Q365	V355-N363 HydrophobicContact CG1-CB 3.94Å; V355-N363 HydrophobicContact CG2-CB 4.5Å; Q359-N363 HydrophobicContact CB-CB 3.87Å; Q359-N363 WeakPolarHBondContact O-CB 3.42Å; Q359-N363 PolarHBondContact O-N 2.74Å; Q359-N363 PolarHBondContact OE1-ND2 2.95Å; N363-Q365 PolarHBondContact OD1-NE2 3.32Å
364	V	98.4	Very high	98	Very high	68 Å²	68	42.1 Å²	42.1	41%	0.412	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	112.4	175.7	-175.1	0	0	0	0	108.5	T362 K391 R393	T362-V364 PolarHBondContact O-N 2.68Å; V364-K391 HydrophobicContact CB-CB 4.33Å; V364-K391 HydrophobicContact CG1-CB 4.34Å; V364-K391 HydrophobicContact CG2-CB 3.91Å; V364-K391 HydrophobicContact CG2-CD 4.14Å; V364-R393 HydrophobicContact CG1-CB 4.16Å
365	Q	98.7	Very high	98	Very high	4 Å²	4	40 Å²	40	2%	0.019	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	138.1	177.2	-65.7	-71.1	-73.7	0	0	110.8	L351 V355 N363 K391 L392 R393 D436	L351-Q365 HydrophobicContact CD2-CB 4.02Å; L351-Q365 HydrophobicContact CD2-CG 4.01Å; V355-Q365 HydrophobicContact CG2-CG 3.38Å; N363-Q365 PolarHBondContact OD1-NE2 3.32Å; Q365-K391 PolarHBondContact N-O 2.88Å; Q365-L392 WeakPolarHBondContact O-CA 3.4Å; Q365-R393 PolarHBondContact O-N 2.9Å; Q365-D436 HydrophobicContact CB-CB 4.41Å; Q365-D436 VanDerWaalsContact OE1-CG 3.29Å
366	V	98.9	Very high	98	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.024	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	112.6	173.7	-177.2	0	0	0	0	108.7	M368 Y395 E433 D436 I437	V366-M368 HydrophobicContact CG1-CE 3.96Å; V366-M368 HydrophobicContact CG1-CG 4.49Å; V366-Y395 HydrophobicContact CG1-CD2 4.1Å; V366-Y395 HydrophobicContact CG1-CE2 3.98Å; V366-E433 HydrophobicContact CG1-CG 4.29Å; V366-E433 VanDerWaalsContact CG2-OE2 3.28Å; V366-E433 WeakPolarHBondContact CG2-OE2 3.4Å; V366-D436 PolarHBondContact N-OD2 2.89Å; V366-D436 PolarHBondContact O-N 2.93Å; V366-I437 PolarHBondContact O-N 3.17Å
367	L	98.9	Very high	98.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	130	178.4	-171.7	148.6	0	0	0	109.8	V347 V369 L392 R393 I394 Y395 I437 V439	V347-L367 HydrophobicContact CG1-CD1 3.75Å; V347-L367 HydrophobicContact CG2-CD1 4.43Å; L367-V369 HydrophobicContact CD2-CG2 3.64Å; L367-L392 HydrophobicContact CB-CD1 4.13Å; L367-L392 HydrophobicContact CB-CD2 3.67Å; L367-L392 HydrophobicContact CB-CG 4.05Å; L367-L392 HydrophobicContact CD1-CD1 3.84Å; L367-L392 HydrophobicContact CD1-CD2 4.49Å; L367-R393 PolarHBondContact N-O 3.25Å; L367-I394 CarbonylContact O-C 3.56Å; L367-I394 VanDerWaalsContact O-CA 3.24Å; L367-I394 WeakPolarHBondContact O-CA 3.27Å; L367-Y395 PolarHBondContact O-N 2.76Å; L367-I437 CarbonylContact C-O 3.54Å; L367-I437 WeakPolarHBondContact CA-O 3.33Å; L367-I437 HydrophobicContact CD1-CB 4.19Å; L367-I437 HydrophobicContact CD1-CD1 4.37Å; L367-I437 HydrophobicContact CD1-CG2 4.15Å; L367-I437 HydrophobicContact CG-CB 4.18Å; L367-I437 HydrophobicContact CG-CG2 4.38Å; L367-V439 HydrophobicContact CD1-CG2 3.88Å; L367-V439 HydrophobicContact CD2-CB 4.4Å; L367-V439 HydrophobicContact CD2-CG2 3.89Å; L367-V439 HydrophobicContact CG-CG2 3.95Å
368	M	98.9	Very high	98.2	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	118	177.7	-54.4	-175.1	173.3	0	0	109.5	V366 L370 Y395 W429 A431 E433 A435 I437 L438 V439 F462	V366-M368 HydrophobicContact CG1-CE 3.96Å; V366-M368 HydrophobicContact CG1-CG 4.49Å; M368-L370 HydrophobicContact CB-CD2 4.16Å; M368-Y395 CarbonylContact C-O 3.46Å; M368-Y395 WeakPolarHBondContact CA-O 3.43Å; M368-Y395 HydrophobicContact CE-CD2 4.06Å; M368-Y395 HydrophobicContact CE-CE2 4.43Å; M368-Y395 HydrophobicContact CG-CD2 4.17Å; M368-Y395 HydrophobicContact CG-CG 4.44Å; M368-W429 HydrophobicContact CE-CH2 3.8Å; M368-W429 HydrophobicContact CE-CZ3 4.06Å; M368-W429 HydrophobicContact CG-CZ3 4.5Å; M368-W429 HydrophobicContact SD-CH2 3.71Å; M368-W429 HydrophobicContact SD-CZ3 3.4Å; M368-W429 WeakPolarHBondContact SD-CZ3 3.46Å; M368-A431 HydrophobicContact CE-CB 4.17Å; M368-E433 WeakPolarHBondContact CE-O 3.29Å; M368-A435 HydrophobicContact CB-CB 4.44Å; M368-A435 HydrophobicContact CE-CB 4.01Å; M368-A435 HydrophobicContact CG-CB 3.73Å; M368-A435 HydrophobicContact SD-CB 3.7Å; M368-I437 PolarHBondContact N-O 2.79Å; M368-L438 HydrophobicContact CB-CD2 3.83Å; M368-L438 HydrophobicContact CG-CD2 4.34Å; M368-L438 WeakPolarHBondContact O-CA 3.02Å; M368-L438 HydrophobicContact SD-CD2 4.27Å; M368-V439 PolarHBondContact O-N 2.79Å; M368-F462 HydrophobicContact SD-CD2 3.73Å; M368-F462 HydrophobicContact SD-CE2 3.96Å
369	V	98.9	Very high	98.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	112.4	171.8	-175.5	0	0	0	0	107.9	L367 A372 L377 V378 I394 Y395 V397 V439	L367-V369 HydrophobicContact CD2-CG2 3.64Å; V369-A372 HydrophobicContact CB-CB 4.41Å; V369-A372 HydrophobicContact CG1-CB 3.96Å; V369-L377 HydrophobicContact CG1-CB 3.8Å; V369-L377 HydrophobicContact CG1-CD1 4.35Å; V369-V378 HydrophobicContact CB-CG2 4.32Å; V369-V378 HydrophobicContact CG1-CG2 4.48Å; V369-V378 HydrophobicContact CG2-CG2 4.11Å; V369-I394 HydrophobicContact CG2-CG2 4.24Å; V369-Y395 PolarHBondContact N-O 2.93Å; V369-V397 PolarHBondContact O-N 2.85Å; V369-V439 CarbonylContact C-O 3.57Å; V369-V439 VanDerWaalsContact CA-O 3.25Å; V369-V439 WeakPolarHBondContact CA-O 3.3Å
370	L	98.9	Very high	98.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	112.5	-176.3	-55.7	-177.3	0	0	0	110.3	M368 V397 M426 L438 V439 S440 L456 A459 F462	M368-L370 HydrophobicContact CB-CD2 4.16Å; L370-V397 HydrophobicContact CD2-CB 4.03Å; L370-V397 HydrophobicContact CD2-CG2 3.85Å; L370-M426 HydrophobicContact CB-CE 3.78Å; L370-M426 HydrophobicContact CB-SD 3.78Å; L370-M426 HydrophobicContact CD1-SD 4.03Å; L370-M426 HydrophobicContact CD2-CB 4.21Å; L370-M426 HydrophobicContact CG-SD 4.45Å; L370-L438 HydrophobicContact CD1-CB 4.27Å; L370-L438 HydrophobicContact CD1-CD1 3.97Å; L370-L438 HydrophobicContact CD1-CD2 4.08Å; L370-L438 HydrophobicContact CD1-CG 4.32Å; L370-L438 HydrophobicContact CG-CD2 4.48Å; L370-V439 PolarHBondContact N-O 3.27Å; L370-S440 WeakPolarHBondContact O-CB 3.4Å; L370-L456 HydrophobicContact CD1-CD2 4.02Å; L370-A459 HydrophobicContact CD1-CB 3.45Å; L370-A459 VanDerWaalsContact CD1-CB 3.45Å; L370-F462 HydrophobicContact CD1-CE2 4.27Å; L370-F462 HydrophobicContact CD1-CZ 4.45Å; L370-F462 HydrophobicContact CD2-CE2 4.12Å; L370-F462 HydrophobicContact CD2-CZ 4.18Å
371	G	98.4	Very high	98.5	Very high	20 Å²	20	22.5 Å²	22.5	21%	0.206	13%	0.132	C	C	.	.	S	Bend	trans	80.7	58.7	-166	0	0	0	0	0	110.8	G373 V397	G371-G373 PolarHBondContact O-N 3.38Å; G371-V397 WeakPolarHBondContact CA-O 3.13Å; G371-V397 PolarHBondContact N-O 2.97Å
372	A	98.6	Very high	98.6	Very high	4 Å²	4	17.6 Å²	17.6	3%	0.033	11%	0.106	C	C	.	.			trans	-69.1	-16.9	-171.5	0	0	0	0	0	114.7	V369 R374 G375 V378 A396 V397 E398 L407	V369-A372 HydrophobicContact CB-CB 4.41Å; V369-A372 HydrophobicContact CG1-CB 3.96Å; A372-R374 PolarHBondContact O-N 2.95Å; A372-G375 WeakPolarHBondContact O-CA 3.41Å; A372-G375 PolarHBondContact O-N 2.9Å; A372-V378 HydrophobicContact CB-CG2 4.37Å; A372-A396 HydrophobicContact CB-CB 3.91Å; A372-V397 PolarHBondContact N-O 2.9Å; A372-E398 HydrophobicContact CB-CB 4.42Å; A372-E398 PolarHBondContact N-OE2 3.31Å; A372-L407 HydrophobicContact CB-CD1 3.86Å; A372-L407 HydrophobicContact CB-CD2 4.32Å
373	G	98.3	Very high	98.6	Very high	7 Å²	7	17.2 Å²	17.2	7%	0.072	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	-128.6	-177.2	0	0	0	0	0	111.2	Y330 G371 G375 E398 L407	Y330-G373 VanDerWaalsContact CE1-CA 3.5Å; G371-G373 PolarHBondContact O-N 3.38Å; G373-G375 VanDerWaalsContact C-N 3.31Å; G373-E398 WeakPolarHBondContact CA-OE2 3.49Å; G373-E398 PolarHBondContact N-OE2 3.31Å; G373-L407 WeakPolarHBondContact O-CD1 3.28Å; G373-L407 WeakPolarHBondContact O-CD2 3.33Å; G373-L407 VanDerWaalsContact O-CG 3.3Å; G373-L407 WeakPolarHBondContact O-CG 3.34Å
374	R	98.6	Very high	98.7	Very high	41 Å²	41	15.4 Å²	15.4	16%	0.155	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	14.1	173.5	-53.3	-168.7	-55.2	-179.9	9.2	113.8	S327 Y330 E334 A372 T406	S327-R374 PolarHBondContact O-NH1 3.47Å; S327-R374 PolarHBondContact OG-NH1 3.36Å; Y330-R374 HydrophobicContact CD1-CG 4.38Å; Y330-R374 HydrophobicContact CD2-CG 4.15Å; Y330-R374 HydrophobicContact CG-CG 3.9Å; E334-R374 WeakPolarHBondContact OE1-CB 3.4Å; E334-R374 IonicContact OE1-CZ 2.57Å; E334-R374 IonicContact OE1-NE 3.92Å; E334-R374 PolarHBondContact OE1-NE 3.33Å; E334-R374 IonicContact OE1-NH2 2.63Å; E334-R374 PolarHBondContact OE1-NH2 2.72Å; E334-R374 IonicContact OE2-CZ 3.78Å; E334-R374 IonicContact OE2-NE 2.73Å; E334-R374 IonicContact OE2-NH2 2.98Å; E334-R374 PolarHBondContact OE2-NH2 3.46Å; A372-R374 PolarHBondContact O-N 2.95Å; R374-T406 HydrophobicContact CB-CG2 3.92Å; R374-T406 HydrophobicContact CG-CG2 4.24Å
375	G	98.5	Very high	98.7	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.064	C	C	.	.	S	Bend	trans	93.9	12.6	171.9	0	0	0	0	0	119.6	A372 G373 L377 V378 N379	A372-G375 WeakPolarHBondContact O-CA 3.41Å; A372-G375 PolarHBondContact O-N 2.9Å; G373-G375 VanDerWaalsContact C-N 3.31Å; G375-L377 VanDerWaalsContact C-N 3.28Å; G375-L377 PolarHBondContact O-N 3.43Å; G375-V378 WeakPolarHBondContact O-CB 3.48Å; G375-V378 PolarHBondContact O-N 3.27Å; G375-V378 VanDerWaalsContact O-N 3.16Å; G375-N379 PolarHBondContact O-N 2.84Å
376	P	98.5	Very high	98.7	Very high	27 Å²	27	20.9 Å²	20.9	18%	0.175	10%	0.097	C	C	.	.	H	α-helix	trans	-63.7	-32.2	-178.3	27.4	-35.5	0	0	0	113.1	E334 Y340 N379 A380	E334-P376 HydrophobicContact CG-CB 4.25Å; E334-P376 HydrophobicContact CG-CG 4.03Å; Y340-P376 HydrophobicContact CD1-CB 3.78Å; Y340-P376 HydrophobicContact CD1-CG 4.22Å; Y340-P376 HydrophobicContact CE1-CB 3.48Å; Y340-P376 VanDerWaalsContact CE1-CB 3.48Å; Y340-P376 HydrophobicContact CE1-CG 3.44Å; Y340-P376 VanDerWaalsContact CE1-CG 3.44Å; Y340-P376 HydrophobicContact CE2-CB 4.32Å; Y340-P376 HydrophobicContact CG-CB 4.3Å; P376-N379 PolarHBondContact O-N 2.92Å; P376-A380 WeakPolarHBondContact O-CB 3.48Å; P376-A380 PolarHBondContact O-N 3.38Å
377	L	98.8	Very high	98.6	Very high	8 Å²	8	25.3 Å²	25.3	4%	0.042	12%	0.117	C	C	.	.	H	α-helix	trans	-76.3	-29.2	174.9	-72.5	178.2	0	0	0	113.9	Y340 Y343 V369 G375 N379 A380 S381 V439 E441	Y340-L377 HydrophobicContact CD1-CD2 3.96Å; Y340-L377 HydrophobicContact CD1-CG 4.34Å; Y340-L377 HydrophobicContact CE1-CD2 4.4Å; Y340-L377 HydrophobicContact CE1-CG 4.36Å; Y343-L377 HydrophobicContact CD1-CD2 3.69Å; Y343-L377 HydrophobicContact CD2-CD2 4.01Å; Y343-L377 HydrophobicContact CE1-CD2 4.35Å; Y343-L377 HydrophobicContact CG-CD2 3.49Å; Y343-L377 VanDerWaalsContact CG-CD2 3.49Å; V369-L377 HydrophobicContact CG1-CB 3.8Å; V369-L377 HydrophobicContact CG1-CD1 4.35Å; G375-L377 VanDerWaalsContact C-N 3.28Å; G375-L377 PolarHBondContact O-N 3.43Å; L377-N379 VanDerWaalsContact C-N 3.35Å; L377-A380 PolarHBondContact O-N 3.41Å; L377-S381 WeakPolarHBondContact O-CB 3.41Å; L377-S381 PolarHBondContact O-N 3.17Å; L377-S381 PolarHBondContact O-OG 2.63Å; L377-V439 HydrophobicContact CD1-CG1 4.29Å; L377-V439 HydrophobicContact CD2-CG1 4.49Å; L377-E441 HydrophobicContact CD1-CB 3.75Å
378	V	98.9	Very high	98.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-60.5	-50.7	168.8	179.1	0	0	0	0	108.6	V369 A372 G375 A380 S381 L382 I394 A396 W415 V419	V369-V378 HydrophobicContact CB-CG2 4.32Å; V369-V378 HydrophobicContact CG1-CG2 4.48Å; V369-V378 HydrophobicContact CG2-CG2 4.11Å; A372-V378 HydrophobicContact CB-CG2 4.37Å; G375-V378 WeakPolarHBondContact O-CB 3.48Å; G375-V378 PolarHBondContact O-N 3.27Å; G375-V378 VanDerWaalsContact O-N 3.16Å; V378-A380 PolarHBondContact O-N 3.48Å; V378-S381 PolarHBondContact O-N 2.57Å; V378-L382 HydrophobicContact CG1-CD1 4.3Å; V378-L382 WeakPolarHBondContact O-CG 3.31Å; V378-L382 PolarHBondContact O-N 3.23Å; V378-I394 HydrophobicContact CG1-CD1 4.22Å; V378-I394 HydrophobicContact CG1-CG2 4.31Å; V378-A396 HydrophobicContact CG2-CB 3.73Å; V378-W415 HydrophobicContact CB-CH2 4.11Å; V378-W415 HydrophobicContact CB-CZ2 4Å; V378-W415 HydrophobicContact CG1-CD2 3.95Å; V378-W415 HydrophobicContact CG1-CE3 4.11Å; V378-W415 HydrophobicContact CG1-CH2 4.06Å; V378-W415 HydrophobicContact CG1-CZ2 3.86Å; V378-W415 HydrophobicContact CG1-CZ3 4.17Å; V378-W415 HydrophobicContact CG2-CH2 4.38Å; V378-V419 HydrophobicContact CG1-CG1 4.08Å; V378-V419 HydrophobicContact CG1-CG2 3.77Å
379	N	98.7	Very high	98.6	Very high	31 Å²	31	29.9 Å²	29.9	17%	0.166	14%	0.142	C	C	.	.	H	α-helix	trans	-60.8	-42.3	176.5	-79.4	-37.7	0	0	0	112.9	G375 P376 L377 S381 L382 R383 W415	G375-N379 PolarHBondContact O-N 2.84Å; P376-N379 PolarHBondContact O-N 2.92Å; L377-N379 VanDerWaalsContact C-N 3.35Å; N379-S381 VanDerWaalsContact C-N 3.35Å; N379-L382 PolarHBondContact O-N 2.82Å; N379-R383 WeakPolarHBondContact O-CG 3.41Å; N379-R383 PolarHBondContact O-N 3.12Å; N379-W415 PolarHBondContact OD1-NE1 3.01Å
380	A	98.7	Very high	98.6	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.008	15%	0.146	C	C	.	.	H	α-helix	trans	-61.5	-42.2	175.5	0	0	0	0	0	112.1	Q344 P376 L377 V378 R383 A384	Q344-A380 HydrophobicContact CB-CB 4.17Å; P376-A380 WeakPolarHBondContact O-CB 3.48Å; P376-A380 PolarHBondContact O-N 3.38Å; L377-A380 PolarHBondContact O-N 3.41Å; V378-A380 PolarHBondContact O-N 3.48Å; A380-R383 PolarHBondContact O-N 2.74Å; A380-A384 WeakPolarHBondContact O-CB 3.35Å; A380-A384 PolarHBondContact O-N 3.01Å
381	S	98.8	Very high	98.5	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.007	17%	0.165	C	C	.	.	H	α-helix	trans	-66.9	-41	178.4	-57.8	0	0	0	0	112.2	L377 V378 N379 A384 A385	L377-S381 WeakPolarHBondContact O-CB 3.41Å; L377-S381 PolarHBondContact O-N 3.17Å; L377-S381 PolarHBondContact O-OG 2.63Å; V378-S381 PolarHBondContact O-N 2.57Å; N379-S381 VanDerWaalsContact C-N 3.35Å; S381-A384 WeakPolarHBondContact O-CB 3.44Å; S381-A384 PolarHBondContact O-N 3.39Å; S381-A385 WeakPolarHBondContact O-CB 3.28Å; S381-A385 PolarHBondContact O-N 3.34Å
382	L	98.7	Very high	98.4	Very high	5 Å²	5	34.7 Å²	34.7	3%	0.026	16%	0.157	C	C	.	.	H	α-helix	trans	-63.5	-40.1	174.1	-70.6	172	0	0	0	112.3	V378 N379 R386 I394 W415 Q418 V419	V378-L382 HydrophobicContact CG1-CD1 4.3Å; V378-L382 WeakPolarHBondContact O-CG 3.31Å; V378-L382 PolarHBondContact O-N 3.23Å; N379-L382 PolarHBondContact O-N 2.82Å; L382-R386 WeakPolarHBondContact O-CG 3.31Å; L382-R386 PolarHBondContact O-N 3.11Å; L382-R386 VanDerWaalsContact O-N 3.1Å; L382-R386 PolarHBondContact O-NE 2.74Å; L382-I394 HydrophobicContact CD2-CD1 3.57Å; L382-I394 HydrophobicContact CG-CD1 3.63Å; L382-W415 HydrophobicContact CD1-CG 4.15Å; L382-Q418 HydrophobicContact CD2-CG 4.17Å; L382-V419 HydrophobicContact CD1-CG2 4.31Å
383	R	98.8	Very high	98.4	Very high	102 Å²	102	38.9 Å²	38.9	39%	0.385	17%	0.172	S	C	.	.	H	α-helix	trans	-66.4	-42.5	174.3	-73.3	-171.8	-60.8	-93.9	-0.2	111.6	Q344 N379 A380 A385 R386 Q387	Q344-R383 HydrophobicContact CG-CB 4.34Å; N379-R383 WeakPolarHBondContact O-CG 3.41Å; N379-R383 PolarHBondContact O-N 3.12Å; A380-R383 PolarHBondContact O-N 2.74Å; R383-A385 PolarHBondContact O-N 3.49Å; R383-R386 PolarHBondContact O-N 3.15Å; R383-Q387 WeakPolarHBondContact O-CB 3.35Å; R383-Q387 PolarHBondContact O-N 3.35Å
384	A	98.8	Very high	98.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-59.4	-45.3	175.9	0	0	0	0	0	111.7	Q344 V347 A380 S381 Q387 A388	Q344-A384 HydrophobicContact CG-CB 3.93Å; Q344-A384 WeakPolarHBondContact O-CB 3.46Å; V347-A384 HydrophobicContact CB-CB 3.81Å; V347-A384 HydrophobicContact CG1-CB 3.64Å; A380-A384 WeakPolarHBondContact O-CB 3.35Å; A380-A384 PolarHBondContact O-N 3.01Å; S381-A384 WeakPolarHBondContact O-CB 3.44Å; S381-A384 PolarHBondContact O-N 3.39Å; A384-Q387 PolarHBondContact O-N 3.37Å; A384-A388 VanDerWaalsContact O-CB 3.29Å; A384-A388 WeakPolarHBondContact O-CB 3.38Å; A384-A388 PolarHBondContact O-N 3.36Å
385	A	98.5	Very high	98.5	Very high	4 Å²	4	37.4 Å²	37.4	3%	0.033	17%	0.165	C	C	.	.	H	α-helix	trans	-63	-43.1	177.5	0	0	0	0	0	112.5	L351 S381 R383 A388 D389 R390 L392	L351-A385 HydrophobicContact CD1-CB 4.08Å; S381-A385 WeakPolarHBondContact O-CB 3.28Å; S381-A385 PolarHBondContact O-N 3.34Å; R383-A385 PolarHBondContact O-N 3.49Å; A385-A388 PolarHBondContact O-N 3.14Å; A385-D389 WeakPolarHBondContact O-CA 3.25Å; A385-D389 PolarHBondContact O-N 3.39Å; A385-R390 PolarHBondContact O-N 2.86Å; A385-L392 HydrophobicContact CB-CB 3.88Å; A385-L392 HydrophobicContact CB-CD1 3.9Å; A385-L392 HydrophobicContact CB-CG 4.48Å
386	R	98.3	Very high	98.5	Very high	184 Å²	184	37.4 Å²	37.4	69%	0.694	17%	0.165	S	C	*	.	H	α-helix	trans	-62.3	-42.2	173.7	-74.3	-177.9	-116.4	179.9	-7.3	112.1	L382 R383 D389	L382-R386 WeakPolarHBondContact O-CG 3.31Å; L382-R386 PolarHBondContact O-N 3.11Å; L382-R386 VanDerWaalsContact O-N 3.1Å; L382-R386 PolarHBondContact O-NE 2.74Å; R383-R386 PolarHBondContact O-N 3.15Å; R386-D389 PolarHBondContact O-N 2.81Å
387	Q	98.4	Very high	98.5	Very high	96 Å²	96	36.2 Å²	36.2	45%	0.449	16%	0.157	S	C	.	.	H	α-helix	trans	-68.9	-38.3	178.9	-175.4	-174	-18.3	0	0	112.3	Q344 Y348 R383 A384	Q344-Q387 VanDerWaalsContact NE2-OE1 3.07Å; Y348-Q387 HydrophobicContact CD2-CB 4.01Å; Y348-Q387 HydrophobicContact CD2-CG 3.76Å; Y348-Q387 HydrophobicContact CE2-CB 4.32Å; Y348-Q387 HydrophobicContact CE2-CG 3.73Å; R383-Q387 WeakPolarHBondContact O-CB 3.35Å; R383-Q387 PolarHBondContact O-N 3.35Å; A384-Q387 PolarHBondContact O-N 3.37Å
388	A	98.3	Very high	98.5	Very high	6 Å²	6	36.5 Å²	36.5	5%	0.05	16%	0.158	C	C	.	.	H	α-helix	trans	-75.4	-15.3	175.1	0	0	0	0	0	112.5	Y348 L351 L352 A384 A385 R390	Y348-A388 HydrophobicContact CD2-CB 3.68Å; Y348-A388 HydrophobicContact CE2-CB 3.99Å; L351-A388 HydrophobicContact CB-CB 4.18Å; L351-A388 HydrophobicContact CD1-CB 4.4Å; L352-A388 HydrophobicContact CD2-CB 4.03Å; L352-A388 HydrophobicContact CG-CB 4.2Å; A384-A388 VanDerWaalsContact O-CB 3.29Å; A384-A388 WeakPolarHBondContact O-CB 3.38Å; A384-A388 PolarHBondContact O-N 3.36Å; A385-A388 PolarHBondContact O-N 3.14Å; A388-R390 HydrophobicContact CB-CB 4.33Å; A388-R390 HydrophobicContact CB-CG 3.9Å; A388-R390 PolarHBondContact O-NH1 3.49Å
389	D	98.3	Very high	98.5	Very high	91 Å²	91	39 Å²	39	49%	0.487	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.2	55.2	-171.5	-157	-3.3	0	0	0	110.5	K360 A385 R386	K360-D389 HydrophobicContact CD-CB 4.43Å; K360-D389 WeakPolarHBondContact CD-O 3.25Å; K360-D389 WeakPolarHBondContact CE-O 3.48Å; K360-D389 WeakPolarHBondContact CE-OD1 3.25Å; K360-D389 WeakPolarHBondContact CE-OD2 3.41Å; K360-D389 WeakPolarHBondContact CG-O 3.43Å; K360-D389 IonicContact NZ-OD1 3.91Å; K360-D389 PolarHBondContact NZ-OD1 2.91Å; K360-D389 IonicContact NZ-OD2 2.87Å; K360-D389 PolarHBondContact NZ-OD2 2.75Å; A385-D389 WeakPolarHBondContact O-CA 3.25Å; A385-D389 PolarHBondContact O-N 3.39Å; R386-D389 PolarHBondContact O-N 2.81Å
390	R	98.4	Very high	98.5	Very high	20 Å²	20	37.6 Å²	37.6	8%	0.075	16%	0.161	C	C	.	.			trans	-130.5	145.2	-179.4	-62.6	-58.3	-177.2	-105.2	5.4	110.7	L351 V355 E357 A385 A388	L351-R390 HydrophobicContact CB-CB 4.47Å; L351-R390 HydrophobicContact CB-CG 4.36Å; V355-R390 HydrophobicContact CB-CG 4.4Å; V355-R390 PolarHBondContact O-NE 2.76Å; V355-R390 PolarHBondContact O-NH2 3.44Å; E357-R390 IonicContact OE1-NH1 3.23Å; E357-R390 IonicContact OE2-CZ 2.98Å; E357-R390 VanDerWaalsContact OE2-CZ 3.23Å; E357-R390 IonicContact OE2-NH1 3.73Å; E357-R390 PolarHBondContact OE2-NH1 3.18Å; E357-R390 IonicContact OE2-NH2 2.7Å; E357-R390 PolarHBondContact OE2-NH2 2.97Å; A385-R390 PolarHBondContact O-N 2.86Å; A388-R390 HydrophobicContact CB-CB 4.33Å; A388-R390 HydrophobicContact CB-CG 3.9Å; A388-R390 PolarHBondContact O-NH1 3.49Å
391	K	98.1	Very high	98.5	Very high	93 Å²	93	40.7 Å²	40.7	40%	0.404	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	137	179.7	-67.6	-175.1	177.8	178.7	0	111.5	D361 V364 Q365	D361-K391 WeakPolarHBondContact O-CD 3.33Å; D361-K391 VanDerWaalsContact O-CE 3.32Å; D361-K391 WeakPolarHBondContact O-CE 3.46Å; D361-K391 PolarHBondContact O-NZ 2.76Å; V364-K391 HydrophobicContact CB-CB 4.33Å; V364-K391 HydrophobicContact CG1-CB 4.34Å; V364-K391 HydrophobicContact CG2-CB 3.91Å; V364-K391 HydrophobicContact CG2-CD 4.14Å; Q365-K391 PolarHBondContact N-O 2.88Å
392	L	96.7	Very high	98.5	Very high	7 Å²	7	45.4 Å²	45.4	4%	0.037	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	136.4	-172.6	-160.7	149.9	0	0	0	110.7	L351 Q365 L367 A385 I394 Q418	L351-L392 HydrophobicContact CD1-CD1 3.72Å; L351-L392 HydrophobicContact CD2-CD1 3.73Å; L351-L392 HydrophobicContact CG-CD1 4.29Å; Q365-L392 WeakPolarHBondContact O-CA 3.4Å; L367-L392 HydrophobicContact CB-CD1 4.13Å; L367-L392 HydrophobicContact CB-CD2 3.67Å; L367-L392 HydrophobicContact CB-CG 4.05Å; L367-L392 HydrophobicContact CD1-CD1 3.84Å; L367-L392 HydrophobicContact CD1-CD2 4.49Å; A385-L392 HydrophobicContact CB-CB 3.88Å; A385-L392 HydrophobicContact CB-CD1 3.9Å; A385-L392 HydrophobicContact CB-CG 4.48Å; L392-I394 HydrophobicContact CD2-CB 4.35Å; L392-I394 HydrophobicContact CD2-CD1 3.65Å; L392-I394 HydrophobicContact CD2-CG1 3.04Å; L392-Q418 WeakPolarHBondContact O-CG 3.46Å; L392-Q418 PolarHBondContact O-NE2 3.49Å
393	R	98.3	Very high	98.5	Very high	93 Å²	93	45.3 Å²	45.3	35%	0.351	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	130.2	170.1	175.1	164.3	50.1	145.1	1.6	109.2	V364 Q365 L367 E433	V364-R393 HydrophobicContact CG1-CB 4.16Å; Q365-R393 PolarHBondContact O-N 2.9Å; L367-R393 PolarHBondContact N-O 3.25Å; R393-E433 IonicContact CZ-OE1 3.52Å; R393-E433 IonicContact CZ-OE2 2.83Å; R393-E433 IonicContact NE-OE1 3.37Å; R393-E433 IonicContact NH1-OE1 3.22Å; R393-E433 PolarHBondContact NH1-OE1 3.43Å; R393-E433 IonicContact NH1-OE2 3.01Å; R393-E433 IonicContact NH2-OE1 2.81Å; R393-E433 PolarHBondContact NH2-OE1 2.96Å; R393-E433 IonicContact NH2-OE2 2.75Å; R393-E433 PolarHBondContact NH2-OE2 3.48Å
394	I	98.8	Very high	98.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	136.9	-171.4	-59.4	-179	0	0	0	111.6	L367 V369 V378 L382 L392 Q418 V419 T420	L367-I394 CarbonylContact O-C 3.56Å; L367-I394 VanDerWaalsContact O-CA 3.24Å; L367-I394 WeakPolarHBondContact O-CA 3.27Å; V369-I394 HydrophobicContact CG2-CG2 4.24Å; V378-I394 HydrophobicContact CG1-CD1 4.22Å; V378-I394 HydrophobicContact CG1-CG2 4.31Å; L382-I394 HydrophobicContact CD2-CD1 3.57Å; L382-I394 HydrophobicContact CG-CD1 3.63Å; L392-I394 HydrophobicContact CD2-CB 4.35Å; L392-I394 HydrophobicContact CD2-CD1 3.65Å; L392-I394 HydrophobicContact CD2-CG1 3.04Å; I394-Q418 PolarHBondContact N-O 3.08Å; I394-V419 HydrophobicContact CB-CB 4.49Å; I394-V419 HydrophobicContact CB-CG1 4.47Å; I394-V419 HydrophobicContact CB-CG2 4.02Å; I394-V419 HydrophobicContact CD1-CG2 4.3Å; I394-V419 HydrophobicContact CG2-CG1 4.28Å; I394-V419 HydrophobicContact CG2-CG2 4.43Å; I394-V419 CarbonylContact O-C 3.6Å; I394-V419 WeakPolarHBondContact O-CA 3.34Å; I394-T420 PolarHBondContact O-N 2.96Å
395	Y	98.9	Very high	98.4	Very high	17 Å²	17	46 Å²	46	7%	0.067	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	127.2	157.6	-65.8	-96.4	0	0	0	109.4	V366 L367 M368 V369 T420 V422 W429 P432 E433	V366-Y395 HydrophobicContact CG1-CD2 4.1Å; V366-Y395 HydrophobicContact CG1-CE2 3.98Å; L367-Y395 PolarHBondContact O-N 2.76Å; M368-Y395 CarbonylContact C-O 3.46Å; M368-Y395 WeakPolarHBondContact CA-O 3.43Å; M368-Y395 HydrophobicContact CE-CD2 4.06Å; M368-Y395 HydrophobicContact CE-CE2 4.43Å; M368-Y395 HydrophobicContact CG-CD2 4.17Å; M368-Y395 HydrophobicContact CG-CG 4.44Å; V369-Y395 PolarHBondContact N-O 2.93Å; Y395-T420 CarbonylContact C-O 3.56Å; Y395-T420 WeakPolarHBondContact CA-O 3.07Å; Y395-T420 HydrophobicContact CD1-CG2 3.96Å; Y395-T420 HydrophobicContact CE1-CG2 3.93Å; Y395-V422 HydrophobicContact CD1-CG2 4.05Å; Y395-W429 AromaticContact CD1-CH2 3.78Å; Y395-W429 HydrophobicContact CD1-CH2 3.78Å; Y395-W429 AromaticContact CD1-CZ2 3.82Å; Y395-W429 HydrophobicContact CD1-CZ2 3.82Å; Y395-W429 HydrophobicContact CE1-CH2 4.48Å; Y395-W429 HydrophobicContact CE1-CZ2 4.3Å; Y395-W429 AromaticContact CG-CH2 3.86Å; Y395-W429 HydrophobicContact CG-CH2 3.86Å; Y395-W429 HydrophobicContact CG-CZ2 4.37Å; Y395-P432 HydrophobicContact CE1-CG 3.93Å; Y395-E433 HydrophobicContact CE2-CG 4.33Å; Y395-E433 PolarHBondContact OH-OE1 3.05Å; Y395-E433 VanDerWaalsContact OH-OE1 3.06Å
396	A	98.9	Very high	98.5	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	95.7	175.2	0	0	0	0	0	108.8	A372 V378 V419 T420 V421 V422	A372-A396 HydrophobicContact CB-CB 3.91Å; V378-A396 HydrophobicContact CG2-CB 3.73Å; A396-V419 HydrophobicContact CB-CG1 4.08Å; A396-T420 PolarHBondContact N-O 2.98Å; A396-V421 HydrophobicContact CB-CG2 4.45Å; A396-V422 PolarHBondContact O-N 2.79Å
397	V	98.9	Very high	98.5	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.012	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	123.6	-176.4	-171	0	0	0	0	109.4	V369 L370 G371 A372 V422 M426 W429	V369-V397 PolarHBondContact O-N 2.85Å; L370-V397 HydrophobicContact CD2-CB 4.03Å; L370-V397 HydrophobicContact CD2-CG2 3.85Å; G371-V397 WeakPolarHBondContact CA-O 3.13Å; G371-V397 PolarHBondContact N-O 2.97Å; A372-V397 PolarHBondContact N-O 2.9Å; V397-V422 WeakPolarHBondContact CA-O 3.3Å; V397-V422 HydrophobicContact CB-CB 4.46Å; V397-V422 HydrophobicContact CG1-CB 4.46Å; V397-V422 HydrophobicContact CG1-CG1 4.34Å; V397-V422 HydrophobicContact CG2-CB 4.12Å; V397-V422 HydrophobicContact CG2-CG2 4.5Å; V397-M426 HydrophobicContact CG1-CB 4.38Å; V397-W429 HydrophobicContact CG2-CD2 4.38Å; V397-W429 HydrophobicContact CG2-CE3 3.78Å; V397-W429 HydrophobicContact CG2-CH2 4.16Å; V397-W429 HydrophobicContact CG2-CZ3 3.64Å
398	E	98.8	Very high	98.5	Very high	13 Å²	13	38.1 Å²	38.1	6%	0.061	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	134.1	179.9	177.4	52.9	-109.8	0	0	110.5	A372 G373 N400 A403 V404 L407 V422 S423 C424	A372-E398 HydrophobicContact CB-CB 4.42Å; A372-E398 PolarHBondContact N-OE2 3.31Å; G373-E398 WeakPolarHBondContact CA-OE2 3.49Å; G373-E398 PolarHBondContact N-OE2 3.31Å; E398-N400 HydrophobicContact CG-CB 4.32Å; E398-N400 WeakPolarHBondContact OE1-CB 3.1Å; E398-N400 PolarHBondContact OE1-N 2.98Å; E398-A403 HydrophobicContact CG-CB 3.93Å; E398-V404 HydrophobicContact CB-CG2 3.99Å; E398-V404 HydrophobicContact CG-CG2 4.03Å; E398-L407 HydrophobicContact CB-CD1 3.74Å; E398-L407 HydrophobicContact CG-CD1 4.25Å; E398-V422 PolarHBondContact N-O 3.32Å; E398-S423 CarbonylContact O-C 3.57Å; E398-S423 WeakPolarHBondContact O-CA 3.48Å; E398-C424 CarbonylContact C-O 3.56Å; E398-C424 PolarHBondContact O-N 3.34Å
399	K	98.5	Very high	98.5	Very high	54 Å²	54	41.7 Å²	41.7	24%	0.235	21%	0.209	C	C	.	.			trans	-90.6	-26.5	-179.5	71.3	93.5	-175.3	178.2	0	112.7	P320 L321 D323 N324 P401 C424 D425	P320-K399 WeakPolarHBondContact O-CE 3.16Å; P320-K399 PolarHBondContact O-NZ 3.42Å; L321-K399 VanDerWaalsContact O-CE 3.25Å; L321-K399 WeakPolarHBondContact O-CE 3.49Å; L321-K399 PolarHBondContact O-NZ 3.07Å; D323-K399 PolarHBondContact O-NZ 2.84Å; N324-K399 PolarHBondContact OD1-NZ 3.45Å; K399-P401 WeakPolarHBondContact O-CD 3.37Å; K399-C424 PolarHBondContact N-O 3.36Å; K399-D425 HydrophobicContact CB-CB 4.44Å
400	N	98.6	Very high	98.5	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	20%	0.204	C	C	.	.			trans	-73.9	107.9	179	-178.8	-3	0	0	0	110	L325 Y330 E398 N402 A403 V404	L325-N400 PolarHBondContact O-ND2 3.15Å; Y330-N400 PolarHBondContact OH-ND2 2.94Å; Y330-N400 VanDerWaalsContact OH-ND2 3.15Å; E398-N400 HydrophobicContact CG-CB 4.32Å; E398-N400 WeakPolarHBondContact OE1-CB 3.1Å; E398-N400 PolarHBondContact OE1-N 2.98Å; N400-N402 PolarHBondContact O-N 2.92Å; N400-N402 VanDerWaalsContact O-N 3.08Å; N400-N402 WeakPolarHBondContact OD1-CB 2.94Å; N400-N402 PolarHBondContact OD1-N 2.84Å; N400-N402 VanDerWaalsContact OD1-N 3.13Å; N400-N402 PolarHBondContact OD1-ND2 3.22Å; N400-A403 HydrophobicContact CB-CB 4.11Å; N400-A403 PolarHBondContact O-N 2.98Å; N400-V404 WeakPolarHBondContact O-CG2 3.43Å; N400-V404 PolarHBondContact O-N 2.83Å; N400-V404 VanDerWaalsContact O-N 3.1Å
401	P	98.4	Very high	98.5	Very high	66 Å²	66	44.8 Å²	44.8	43%	0.429	21%	0.214	S	C	.	.	H	α-helix	trans	-63.6	-23.5	-174.6	27.5	-35.8	0	0	0	112.7	K399 I405	K399-P401 WeakPolarHBondContact O-CD 3.37Å; P401-I405 WeakPolarHBondContact O-CG1 3.39Å; P401-I405 PolarHBondContact O-N 2.77Å
402	N	98.6	Very high	98.5	Very high	99 Å²	99	49.1 Å²	49.1	53%	0.529	23%	0.233	S	C	.	.	H	α-helix	trans	-72.7	-39.3	177.4	-52	-71.3	0	0	0	111.7	N400 I405	N400-N402 PolarHBondContact O-N 2.92Å; N400-N402 VanDerWaalsContact O-N 3.08Å; N400-N402 WeakPolarHBondContact OD1-CB 2.94Å; N400-N402 PolarHBondContact OD1-N 2.84Å; N400-N402 VanDerWaalsContact OD1-N 3.13Å; N400-N402 PolarHBondContact OD1-ND2 3.22Å; N402-I405 PolarHBondContact O-N 3.48Å
403	A	98.4	Very high	98.6	Very high	3 Å²	3	55.1 Å²	55.1	3%	0.025	26%	0.261	C	S	.	.	H	α-helix	trans	-70.9	-35.7	176.2	0	0	0	0	0	111	Y330 E398 N400 I405 T406 L407	Y330-A403 HydrophobicContact CE2-CB 4.21Å; E398-A403 HydrophobicContact CG-CB 3.93Å; N400-A403 HydrophobicContact CB-CB 4.11Å; N400-A403 PolarHBondContact O-N 2.98Å; A403-I405 VanDerWaalsContact C-N 3.27Å; A403-I405 PolarHBondContact O-N 2.74Å; A403-T406 WeakPolarHBondContact O-CA 3.44Å; A403-T406 VanDerWaalsContact O-CB 3.29Å; A403-T406 WeakPolarHBondContact O-CB 3.36Å; A403-T406 PolarHBondContact O-N 2.73Å; A403-L407 PolarHBondContact O-N 3.22Å
404	V	98.8	Very high	98.5	Very high	14 Å²	14	57.1 Å²	57.1	9%	0.085	27%	0.274	C	S	.	.	H	α-helix	trans	-55.5	-39.8	172.6	171.5	0	0	0	0	112.2	E398 N400 T406 L407 E408 V421	E398-V404 HydrophobicContact CB-CG2 3.99Å; E398-V404 HydrophobicContact CG-CG2 4.03Å; N400-V404 WeakPolarHBondContact O-CG2 3.43Å; N400-V404 PolarHBondContact O-N 2.83Å; N400-V404 VanDerWaalsContact O-N 3.1Å; V404-T406 PolarHBondContact O-N 3.21Å; V404-L407 PolarHBondContact O-N 2.7Å; V404-L407 VanDerWaalsContact O-N 3.11Å; V404-E408 HydrophobicContact CG1-CG 4.21Å; V404-E408 PolarHBondContact O-N 3.06Å; V404-V421 HydrophobicContact CG1-CG1 4.15Å
405	I	98.7	Very high	98.5	Very high	104 Å²	104	58 Å²	58	53%	0.533	28%	0.278	S	S	.	.	H	α-helix	trans	-56.3	-43	174.5	-64.9	166.3	0	0	0	110.3	P401 N402 A403 N409	P401-I405 WeakPolarHBondContact O-CG1 3.39Å; P401-I405 PolarHBondContact O-N 2.77Å; N402-I405 PolarHBondContact O-N 3.48Å; A403-I405 VanDerWaalsContact C-N 3.27Å; A403-I405 PolarHBondContact O-N 2.74Å; I405-N409 PolarHBondContact O-N 2.88Å; I405-N409 PolarHBondContact O-ND2 2.98Å
406	T	98.7	Very high	98.4	Very high	46 Å²	46	58.8 Å²	58.8	28%	0.282	29%	0.291	S	S	.	.	H	α-helix	trans	-65.6	-42.9	177.6	-55.6	0	0	0	0	111.1	R374 A403 V404 N409 W410	R374-T406 HydrophobicContact CB-CG2 3.92Å; R374-T406 HydrophobicContact CG-CG2 4.24Å; A403-T406 WeakPolarHBondContact O-CA 3.44Å; A403-T406 VanDerWaalsContact O-CB 3.29Å; A403-T406 WeakPolarHBondContact O-CB 3.36Å; A403-T406 PolarHBondContact O-N 2.73Å; V404-T406 PolarHBondContact O-N 3.21Å; T406-N409 PolarHBondContact O-N 3.42Å; T406-W410 PolarHBondContact O-N 2.89Å
407	L	98.8	Very high	98.3	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-63.3	-42.9	178.7	-66.1	174.7	0	0	0	112.8	A372 G373 E398 A403 V404 W410 R411 W415 V421	A372-L407 HydrophobicContact CB-CD1 3.86Å; A372-L407 HydrophobicContact CB-CD2 4.32Å; G373-L407 WeakPolarHBondContact O-CD1 3.28Å; G373-L407 WeakPolarHBondContact O-CD2 3.33Å; G373-L407 VanDerWaalsContact O-CG 3.3Å; G373-L407 WeakPolarHBondContact O-CG 3.34Å; E398-L407 HydrophobicContact CB-CD1 3.74Å; E398-L407 HydrophobicContact CG-CD1 4.25Å; A403-L407 PolarHBondContact O-N 3.22Å; V404-L407 PolarHBondContact O-N 2.7Å; V404-L407 VanDerWaalsContact O-N 3.11Å; L407-W410 PolarHBondContact O-N 3.04Å; L407-R411 WeakPolarHBondContact O-CB 3.4Å; L407-R411 PolarHBondContact O-N 3.48Å; L407-W415 HydrophobicContact CB-CZ3 4.45Å; L407-W415 HydrophobicContact CD2-CH2 3.74Å; L407-W415 HydrophobicContact CD2-CZ3 3.95Å; L407-W415 WeakPolarHBondContact O-CZ3 3.23Å; L407-V421 HydrophobicContact CB-CG1 3.85Å; L407-V421 HydrophobicContact CB-CG2 3.85Å; L407-V421 HydrophobicContact CD1-CG1 4.3Å
408	E	98.6	Very high	98.2	Very high	71 Å²	71	69.9 Å²	69.9	33%	0.332	35%	0.347	S	S	.	.	H	α-helix	trans	-68	-36	178.8	-72.5	-71.3	-173.9	0	0	112.1	V404 R411 F412 V421	V404-E408 HydrophobicContact CG1-CG 4.21Å; V404-E408 PolarHBondContact O-N 3.06Å; E408-R411 PolarHBondContact O-N 2.84Å; E408-R411 IonicContact OE2-NH1 3.17Å; E408-R411 PolarHBondContact OE2-NH1 3.01Å; E408-F412 WeakPolarHBondContact O-CB 3.36Å; E408-F412 PolarHBondContact O-N 2.67Å; E408-V421 HydrophobicContact CG-CB 4.32Å; E408-V421 HydrophobicContact CG-CG1 4.04Å
409	N	98.7	Very high	98.2	Very high	82 Å²	82	69.3 Å²	69.3	44%	0.439	34%	0.344	S	S	.	.	H	α-helix	trans	-64.8	-46.6	172.5	-78.5	-89.1	0	0	0	110.8	I405 T406 R411 F412 E413	I405-N409 PolarHBondContact O-N 2.88Å; I405-N409 PolarHBondContact O-ND2 2.98Å; T406-N409 PolarHBondContact O-N 3.42Å; N409-R411 VanDerWaalsContact C-N 3.29Å; N409-R411 PolarHBondContact O-N 2.81Å; N409-F412 PolarHBondContact O-N 3.26Å; N409-E413 WeakPolarHBondContact O-CB 3.42Å; N409-E413 WeakPolarHBondContact O-CG 3.4Å; N409-E413 PolarHBondContact O-N 2.87Å
410	W	98.5	Very high	98.2	Very high	100 Å²	100	69 Å²	69	38%	0.379	35%	0.347	S	S	.	.	H	α-helix	trans	-59	-39.2	173.6	-95.4	94.8	0	0	0	113	T406 L407 E414 W415	T406-W410 PolarHBondContact O-N 2.89Å; L407-W410 PolarHBondContact O-N 3.04Å; W410-E414 HydrophobicContact CE3-CB 3.73Å; W410-E414 HydrophobicContact CE3-CG 3.81Å; W410-E414 HydrophobicContact CZ3-CB 3.92Å; W410-E414 HydrophobicContact CZ3-CG 3.74Å; W410-E414 WeakPolarHBondContact O-CA 3.38Å; W410-E414 WeakPolarHBondContact O-CB 3.37Å; W410-E414 PolarHBondContact O-N 2.89Å; W410-W415 HydrophobicContact CB-CD2 4.05Å; W410-W415 HydrophobicContact CB-CE3 3.84Å; W410-W415 HydrophobicContact CB-CH2 3.48Å; W410-W415 VanDerWaalsContact CB-CH2 3.48Å; W410-W415 HydrophobicContact CB-CZ2 3.72Å; W410-W415 HydrophobicContact CB-CZ3 3.55Å; W410-W415 HydrophobicContact CD2-CH2 4.47Å; W410-W415 AromaticContact CD2-CZ2 3.94Å; W410-W415 HydrophobicContact CD2-CZ2 3.94Å; W410-W415 AromaticContact CE3-CE2 3.74Å; W410-W415 AromaticContact CE3-CZ2 3.89Å; W410-W415 HydrophobicContact CE3-CZ2 3.89Å; W410-W415 AromaticContact CE3-NE1 3.6Å; W410-W415 AromaticContact CG-CH2 3.95Å; W410-W415 HydrophobicContact CG-CH2 3.95Å; W410-W415 AromaticContact CG-CZ2 3.89Å; W410-W415 HydrophobicContact CG-CZ2 3.89Å; W410-W415 HydrophobicContact CG-CZ3 4.48Å; W410-W415 PolarHBondContact O-N 3.36Å
411	R	98.3	Very high	98.2	Very high	75 Å²	75	69.5 Å²	69.5	28%	0.283	35%	0.35	S	S	.	.	I	π-helix	trans	-63.2	-46.9	176	-177.7	-173.7	170.4	-131.4	-6.9	111.4	L407 E408 N409 W415 G416 V419 V421	L407-R411 WeakPolarHBondContact O-CB 3.4Å; L407-R411 PolarHBondContact O-N 3.48Å; E408-R411 PolarHBondContact O-N 2.84Å; E408-R411 IonicContact OE2-NH1 3.17Å; E408-R411 PolarHBondContact OE2-NH1 3.01Å; N409-R411 VanDerWaalsContact C-N 3.29Å; N409-R411 PolarHBondContact O-N 2.81Å; R411-W415 HydrophobicContact CB-CE3 4.13Å; R411-G416 WeakPolarHBondContact O-CA 3.43Å; R411-G416 PolarHBondContact O-N 2.92Å; R411-V419 VanDerWaalsContact CD-O 3.3Å; R411-V419 WeakPolarHBondContact CD-O 3.39Å; R411-V419 PolarHBondContact NE-O 3.37Å; R411-V421 HydrophobicContact CB-CG2 4.07Å
412	F	98.1	Very high	98.2	Very high	184 Å²	184	67.3 Å²	67.3	81%	0.807	34%	0.335	S	S	*	.	I	π-helix	trans	-66.9	-42.1	-179.3	179.1	-101	0	0	0	112.6	E408 N409	E408-F412 WeakPolarHBondContact O-CB 3.36Å; E408-F412 PolarHBondContact O-N 2.67Å; N409-F412 PolarHBondContact O-N 3.26Å
413	E	97.9	Very high	98.2	Very high	134 Å²	134	66.1 Å²	66.1	63%	0.626	34%	0.335	S	S	*	.	I	π-helix	trans	-82.8	-38.2	-174.4	-66.4	-179.2	177.1	0	0	113.1	N409	N409-E413 WeakPolarHBondContact O-CB 3.42Å; N409-E413 WeakPolarHBondContact O-CG 3.4Å; N409-E413 PolarHBondContact O-N 2.87Å
414	E	97.6	Very high	98.2	Very high	134 Å²	134	67.7 Å²	67.7	63%	0.626	35%	0.346	S	S	*	.	I	π-helix	trans	-128.3	-48.7	-164.2	-65	-69.3	148.3	0	0	114.2	W410	W410-E414 HydrophobicContact CE3-CB 3.73Å; W410-E414 HydrophobicContact CE3-CG 3.81Å; W410-E414 HydrophobicContact CZ3-CB 3.92Å; W410-E414 HydrophobicContact CZ3-CG 3.74Å; W410-E414 WeakPolarHBondContact O-CA 3.38Å; W410-E414 WeakPolarHBondContact O-CB 3.37Å; W410-E414 PolarHBondContact O-N 2.89Å
415	W	98.3	Very high	98.2	Very high	20 Å²	20	68.6 Å²	68.6	8%	0.076	35%	0.35	C	S	.	.	I	π-helix	trans	-83.5	-27.6	-170.5	-55.3	-34.9	0	0	0	114.7	V378 N379 L382 L407 W410 R411 V419	V378-W415 HydrophobicContact CB-CH2 4.11Å; V378-W415 HydrophobicContact CB-CZ2 4Å; V378-W415 HydrophobicContact CG1-CD2 3.95Å; V378-W415 HydrophobicContact CG1-CE3 4.11Å; V378-W415 HydrophobicContact CG1-CH2 4.06Å; V378-W415 HydrophobicContact CG1-CZ2 3.86Å; V378-W415 HydrophobicContact CG1-CZ3 4.17Å; V378-W415 HydrophobicContact CG2-CH2 4.38Å; N379-W415 PolarHBondContact OD1-NE1 3.01Å; L382-W415 HydrophobicContact CD1-CG 4.15Å; L407-W415 HydrophobicContact CB-CZ3 4.45Å; L407-W415 HydrophobicContact CD2-CH2 3.74Å; L407-W415 HydrophobicContact CD2-CZ3 3.95Å; L407-W415 WeakPolarHBondContact O-CZ3 3.23Å; W410-W415 HydrophobicContact CB-CD2 4.05Å; W410-W415 HydrophobicContact CB-CE3 3.84Å; W410-W415 HydrophobicContact CB-CH2 3.48Å; W410-W415 VanDerWaalsContact CB-CH2 3.48Å; W410-W415 HydrophobicContact CB-CZ2 3.72Å; W410-W415 HydrophobicContact CB-CZ3 3.55Å; W410-W415 HydrophobicContact CD2-CH2 4.47Å; W410-W415 AromaticContact CD2-CZ2 3.94Å; W410-W415 HydrophobicContact CD2-CZ2 3.94Å; W410-W415 AromaticContact CE3-CE2 3.74Å; W410-W415 AromaticContact CE3-CZ2 3.89Å; W410-W415 HydrophobicContact CE3-CZ2 3.89Å; W410-W415 AromaticContact CE3-NE1 3.6Å; W410-W415 AromaticContact CG-CH2 3.95Å; W410-W415 HydrophobicContact CG-CH2 3.95Å; W410-W415 AromaticContact CG-CZ2 3.89Å; W410-W415 HydrophobicContact CG-CZ2 3.89Å; W410-W415 HydrophobicContact CG-CZ3 4.48Å; W410-W415 PolarHBondContact O-N 3.36Å; R411-W415 HydrophobicContact CB-CE3 4.13Å; W415-V419 HydrophobicContact CB-CB 3.86Å; W415-V419 HydrophobicContact CB-CG2 3.54Å; W415-V419 HydrophobicContact CD2-CB 4.46Å; W415-V419 HydrophobicContact CD2-CG1 4.5Å; W415-V419 HydrophobicContact CD2-CG2 4.12Å; W415-V419 HydrophobicContact CE3-CB 4.15Å; W415-V419 HydrophobicContact CE3-CG1 3.82Å; W415-V419 HydrophobicContact CE3-CG2 4.26Å; W415-V419 HydrophobicContact CG-CB 4.4Å; W415-V419 HydrophobicContact CG-CG2 3.86Å; W415-V419 HydrophobicContact CZ3-CG1 4.38Å
416	G	96.6	Very high	98.2	Very high	33 Å²	33	64.4 Å²	64.4	34%	0.34	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	57.4	-147.8	-177.8	0	0	0	0	0	113.7	R411 Q418 V419	R411-G416 WeakPolarHBondContact O-CA 3.43Å; R411-G416 PolarHBondContact O-N 2.92Å; G416-Q418 PolarHBondContact O-N 3.29Å; G416-V419 PolarHBondContact O-N 3.25Å
417	D	95.8	Very high	98.1	Very high	149 Å²	149	65.2 Å²	65.2	80%	0.797	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-72.8	-7.2	-174.3	-64.6	-34.3	0	0	0	114.3	V419	D417-V419 PolarHBondContact O-N 3.36Å
418	Q	97	Very high	98.1	Very high	86 Å²	86	72.2 Å²	72.2	40%	0.402	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-69.8	-25.1	176.3	-169.1	174.3	13.1	0	0	112.2	L382 L392 I394 G416	L382-Q418 HydrophobicContact CD2-CG 4.17Å; L392-Q418 WeakPolarHBondContact O-CG 3.46Å; L392-Q418 PolarHBondContact O-NE2 3.49Å; I394-Q418 PolarHBondContact N-O 3.08Å; G416-Q418 PolarHBondContact O-N 3.29Å
419	V	98.8	Very high	98.1	Very high	0 Å²	0	70 Å²	70	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127.1	-179.6	-179.3	0	0	0	0	109.7	V378 L382 I394 A396 R411 W415 G416 D417 V421	V378-V419 HydrophobicContact CG1-CG1 4.08Å; V378-V419 HydrophobicContact CG1-CG2 3.77Å; L382-V419 HydrophobicContact CD1-CG2 4.31Å; I394-V419 HydrophobicContact CB-CB 4.49Å; I394-V419 HydrophobicContact CB-CG1 4.47Å; I394-V419 HydrophobicContact CB-CG2 4.02Å; I394-V419 HydrophobicContact CD1-CG2 4.3Å; I394-V419 HydrophobicContact CG2-CG1 4.28Å; I394-V419 HydrophobicContact CG2-CG2 4.43Å; I394-V419 CarbonylContact O-C 3.6Å; I394-V419 WeakPolarHBondContact O-CA 3.34Å; A396-V419 HydrophobicContact CB-CG1 4.08Å; R411-V419 VanDerWaalsContact CD-O 3.3Å; R411-V419 WeakPolarHBondContact CD-O 3.39Å; R411-V419 PolarHBondContact NE-O 3.37Å; W415-V419 HydrophobicContact CB-CB 3.86Å; W415-V419 HydrophobicContact CB-CG2 3.54Å; W415-V419 HydrophobicContact CD2-CB 4.46Å; W415-V419 HydrophobicContact CD2-CG1 4.5Å; W415-V419 HydrophobicContact CD2-CG2 4.12Å; W415-V419 HydrophobicContact CE3-CB 4.15Å; W415-V419 HydrophobicContact CE3-CG1 3.82Å; W415-V419 HydrophobicContact CE3-CG2 4.26Å; W415-V419 HydrophobicContact CG-CB 4.4Å; W415-V419 HydrophobicContact CG-CG2 3.86Å; W415-V419 HydrophobicContact CZ3-CG1 4.38Å; G416-V419 PolarHBondContact O-N 3.25Å; D417-V419 PolarHBondContact O-N 3.36Å; V419-V421 HydrophobicContact CG1-CG2 4.47Å
420	T	98.8	Very high	98	Very high	47 Å²	47	73.7 Å²	73.7	29%	0.288	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	117.1	168.8	-58.4	0	0	0	0	108.9	I394 Y395 A396 V422	I394-T420 PolarHBondContact O-N 2.96Å; Y395-T420 CarbonylContact C-O 3.56Å; Y395-T420 WeakPolarHBondContact CA-O 3.07Å; Y395-T420 HydrophobicContact CD1-CG2 3.96Å; Y395-T420 HydrophobicContact CE1-CG2 3.93Å; A396-T420 PolarHBondContact N-O 2.98Å; T420-V422 HydrophobicContact CG2-CG2 4.32Å
421	V	98.8	Very high	98	Very high	13 Å²	13	70 Å²	70	8%	0.079	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	135.2	174.9	176.4	0	0	0	0	109	A396 V404 L407 E408 R411 V419	A396-V421 HydrophobicContact CB-CG2 4.45Å; V404-V421 HydrophobicContact CG1-CG1 4.15Å; L407-V421 HydrophobicContact CB-CG1 3.85Å; L407-V421 HydrophobicContact CB-CG2 3.85Å; L407-V421 HydrophobicContact CD1-CG1 4.3Å; E408-V421 HydrophobicContact CG-CB 4.32Å; E408-V421 HydrophobicContact CG-CG1 4.04Å; R411-V421 HydrophobicContact CB-CG2 4.07Å; V419-V421 HydrophobicContact CG1-CG2 4.47Å
422	V	98.8	Very high	97.9	Very high	19 Å²	19	71 Å²	71	12%	0.115	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	110.7	-177.9	-179.2	0	0	0	0	108.7	Y395 A396 V397 E398 T420 C424 W429	Y395-V422 HydrophobicContact CD1-CG2 4.05Å; A396-V422 PolarHBondContact O-N 2.79Å; V397-V422 WeakPolarHBondContact CA-O 3.3Å; V397-V422 HydrophobicContact CB-CB 4.46Å; V397-V422 HydrophobicContact CG1-CB 4.46Å; V397-V422 HydrophobicContact CG1-CG1 4.34Å; V397-V422 HydrophobicContact CG2-CB 4.12Å; V397-V422 HydrophobicContact CG2-CG2 4.5Å; E398-V422 PolarHBondContact N-O 3.32Å; T420-V422 HydrophobicContact CG2-CG2 4.32Å; V422-C424 HydrophobicContact CG1-CB 3.86Å; V422-C424 PolarHBondContact O-N 2.99Å; V422-C424 VanDerWaalsContact O-N 3.17Å; V422-W429 HydrophobicContact CG1-CD2 4.15Å; V422-W429 HydrophobicContact CG1-CG 4.1Å; V422-W429 HydrophobicContact CG1-CZ2 4.43Å; V422-W429 HydrophobicContact CG2-CZ2 3.95Å
423	S	98.6	Very high	97.9	Very high	75 Å²	75	64.9 Å²	64.9	52%	0.524	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	79.8	176.3	-175.8	0	0	0	0	110.6	E398	E398-S423 CarbonylContact O-C 3.57Å; E398-S423 WeakPolarHBondContact O-CA 3.48Å
424	C	98.1	Very high	98	Very high	36 Å²	36	62.8 Å²	62.8	24%	0.243	33%	0.332	C	S	.	.	S	Bend	trans	-153.6	156.2	-175.9	-160.4	0	0	0	0	111.7	E398 K399 V422 W429	E398-C424 CarbonylContact C-O 3.56Å; E398-C424 PolarHBondContact O-N 3.34Å; K399-C424 PolarHBondContact N-O 3.36Å; V422-C424 HydrophobicContact CG1-CB 3.86Å; V422-C424 PolarHBondContact O-N 2.99Å; V422-C424 VanDerWaalsContact O-N 3.17Å; C424-W429 HydrophobicContact CB-CB 4.18Å; C424-W429 HydrophobicContact CB-CG 4.47Å
425	D	98.5	Very high	98	Very high	33 Å²	33	56.4 Å²	56.4	18%	0.176	30%	0.302	C	S	.	.			trans	-71.1	130.1	161.7	-168.9	-48.9	0	0	0	108.7	K399 R427 E428 W429	K399-D425 HydrophobicContact CB-CB 4.44Å; D425-R427 PolarHBondContact O-N 2.9Å; D425-R427 VanDerWaalsContact O-N 3.08Å; D425-R427 WeakPolarHBondContact OD1-CB 3.23Å; D425-R427 WeakPolarHBondContact OD1-CG 3.48Å; D425-R427 IonicContact OD1-CZ 2.83Å; D425-R427 PolarHBondContact OD1-N 3.18Å; D425-R427 IonicContact OD1-NE 2.79Å; D425-R427 PolarHBondContact OD1-NE 3.33Å; D425-R427 IonicContact OD1-NH2 3.82Å; D425-R427 IonicContact OD2-CZ 3.92Å; D425-R427 IonicContact OD2-NE 3.41Å; D425-R427 PolarHBondContact OD2-NE 2.97Å; D425-R427 IonicContact OD2-NH2 2.63Å; D425-R427 PolarHBondContact OD2-NH2 3.43Å; D425-E428 HydrophobicContact CB-CG 4.34Å; D425-E428 PolarHBondContact O-N 2.94Å; D425-E428 VanDerWaalsContact O-N 3.08Å; D425-W429 PolarHBondContact O-N 2.93Å
426	M	98.5	Very high	98.1	Very high	16 Å²	16	55.7 Å²	55.7	8%	0.079	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.8	-177.7	70.1	-173.1	76.9	0	0	113.6	L370 V397 L442 C455 A459 F462	L370-M426 HydrophobicContact CB-CE 3.78Å; L370-M426 HydrophobicContact CB-SD 3.78Å; L370-M426 HydrophobicContact CD1-SD 4.03Å; L370-M426 HydrophobicContact CD2-CB 4.21Å; L370-M426 HydrophobicContact CG-SD 4.45Å; V397-M426 HydrophobicContact CG1-CB 4.38Å; M426-L442 HydrophobicContact CE-CD1 3.78Å; M426-L442 HydrophobicContact CE-CD2 4.35Å; M426-L442 HydrophobicContact SD-CD1 4.14Å; M426-C455 HydrophobicContact CE-CB 4.28Å; M426-C455 HydrophobicContact CG-CB 4.49Å; M426-C455 HydrophobicContact SD-CB 3.69Å; M426-A459 HydrophobicContact CB-CB 4.33Å; M426-A459 HydrophobicContact CG-CB 4.21Å; M426-A459 HydrophobicContact SD-CB 4.28Å; M426-F462 WeakPolarHBondContact O-CE1 3.35Å
427	R	97.6	Very high	98.2	Very high	63 Å²	63	54.1 Å²	54.1	24%	0.238	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-21.5	-179.7	-57.1	172.1	-66.7	171	1.9	112.9	D425 L643	D425-R427 PolarHBondContact O-N 2.9Å; D425-R427 VanDerWaalsContact O-N 3.08Å; D425-R427 WeakPolarHBondContact OD1-CB 3.23Å; D425-R427 WeakPolarHBondContact OD1-CG 3.48Å; D425-R427 IonicContact OD1-CZ 2.83Å; D425-R427 PolarHBondContact OD1-N 3.18Å; D425-R427 IonicContact OD1-NE 2.79Å; D425-R427 PolarHBondContact OD1-NE 3.33Å; D425-R427 IonicContact OD1-NH2 3.82Å; D425-R427 IonicContact OD2-CZ 3.92Å; D425-R427 IonicContact OD2-NE 3.41Å; D425-R427 PolarHBondContact OD2-NE 2.97Å; D425-R427 IonicContact OD2-NH2 2.63Å; D425-R427 PolarHBondContact OD2-NH2 3.43Å; R427-L643 PolarHBondContact NH1-OXT 3.49Å; R427-L643 PolarHBondContact NH2-OXT 2.85Å
428	E	97.8	Very high	98.3	Very high	146 Å²	146	47.1 Å²	47.1	68%	0.682	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.2	-7.6	-176.9	-58.1	-64.5	145.6	0	0	112.3	D425 E430	D425-E428 HydrophobicContact CB-CG 4.34Å; D425-E428 PolarHBondContact O-N 2.94Å; D425-E428 VanDerWaalsContact O-N 3.08Å; E428-E430 PolarHBondContact O-N 3.3Å
429	W	98.3	Very high	98.4	Very high	24 Å²	24	43 Å²	43	9%	0.091	23%	0.227	C	C	.	.			trans	-78.5	115.4	-173.1	179.1	46.1	0	0	0	112.4	M368 Y395 V397 V422 C424 D425 A431 F462	M368-W429 HydrophobicContact CE-CH2 3.8Å; M368-W429 HydrophobicContact CE-CZ3 4.06Å; M368-W429 HydrophobicContact CG-CZ3 4.5Å; M368-W429 HydrophobicContact SD-CH2 3.71Å; M368-W429 HydrophobicContact SD-CZ3 3.4Å; M368-W429 WeakPolarHBondContact SD-CZ3 3.46Å; Y395-W429 AromaticContact CD1-CH2 3.78Å; Y395-W429 HydrophobicContact CD1-CH2 3.78Å; Y395-W429 AromaticContact CD1-CZ2 3.82Å; Y395-W429 HydrophobicContact CD1-CZ2 3.82Å; Y395-W429 HydrophobicContact CE1-CH2 4.48Å; Y395-W429 HydrophobicContact CE1-CZ2 4.3Å; Y395-W429 AromaticContact CG-CH2 3.86Å; Y395-W429 HydrophobicContact CG-CH2 3.86Å; Y395-W429 HydrophobicContact CG-CZ2 4.37Å; V397-W429 HydrophobicContact CG2-CD2 4.38Å; V397-W429 HydrophobicContact CG2-CE3 3.78Å; V397-W429 HydrophobicContact CG2-CH2 4.16Å; V397-W429 HydrophobicContact CG2-CZ3 3.64Å; V422-W429 HydrophobicContact CG1-CD2 4.15Å; V422-W429 HydrophobicContact CG1-CG 4.1Å; V422-W429 HydrophobicContact CG1-CZ2 4.43Å; V422-W429 HydrophobicContact CG2-CZ2 3.95Å; C424-W429 HydrophobicContact CB-CB 4.18Å; C424-W429 HydrophobicContact CB-CG 4.47Å; D425-W429 PolarHBondContact O-N 2.93Å; W429-A431 HydrophobicContact CD2-CB 4.11Å; W429-A431 HydrophobicContact CE3-CB 3.91Å; W429-A431 HydrophobicContact CH2-CB 3.7Å; W429-A431 HydrophobicContact CZ2-CB 3.89Å; W429-A431 HydrophobicContact CZ3-CB 3.71Å; W429-A431 PolarHBondContact O-N 2.98Å; W429-A431 VanDerWaalsContact O-N 3.12Å; W429-F462 HydrophobicContact CE3-CD1 4.43Å; W429-F462 HydrophobicContact CE3-CE1 4Å; W429-F462 HydrophobicContact CE3-CE2 4.36Å; W429-F462 AromaticContact CE3-CZ 3.95Å; W429-F462 HydrophobicContact CE3-CZ 3.95Å; W429-F462 HydrophobicContact CZ3-CE2 4.3Å; W429-F462 HydrophobicContact CZ3-CZ 4.35Å
430	E	97.7	Very high	98.4	Very high	161 Å²	161	43.1 Å²	43.1	75%	0.752	23%	0.227	S	C	*	.			trans	-77.1	91.5	168.2	-67	-66.1	159.7	0	0	110.2	E428	E428-E430 PolarHBondContact O-N 3.3Å
431	A	97.8	Very high	98.4	Very high	22 Å²	22	42.3 Å²	42.3	18%	0.182	22%	0.22	C	C	.	.			trans	-65.7	134.3	-178	0	0	0	0	0	111.7	M368 W429 E433 F462	M368-A431 HydrophobicContact CE-CB 4.17Å; W429-A431 HydrophobicContact CD2-CB 4.11Å; W429-A431 HydrophobicContact CE3-CB 3.91Å; W429-A431 HydrophobicContact CH2-CB 3.7Å; W429-A431 HydrophobicContact CZ2-CB 3.89Å; W429-A431 HydrophobicContact CZ3-CB 3.71Å; W429-A431 PolarHBondContact O-N 2.98Å; W429-A431 VanDerWaalsContact O-N 3.12Å; A431-E433 PolarHBondContact O-N 3.13Å; A431-E433 VanDerWaalsContact O-N 3.16Å; A431-F462 HydrophobicContact CB-CB 3.59Å; A431-F462 HydrophobicContact CB-CD1 4.04Å; A431-F462 HydrophobicContact CB-CD2 4.46Å; A431-F462 HydrophobicContact CB-CG 3.81Å
432	P	97.8	Very high	98.4	Very high	95 Å²	95	42.9 Å²	42.9	62%	0.617	22%	0.223	S	C	*	.	S	Bend	trans	-69.2	-14.3	-178.6	29.2	-35.4	0	0	0	113.3	Y395	Y395-P432 HydrophobicContact CE1-CG 3.93Å
433	E	98	Very high	98.4	Very high	56 Å²	56	42 Å²	42	26%	0.262	22%	0.217	S	C	.	.	S	Bend	trans	-159.1	164	176.1	62.4	-173.1	108.2	0	0	110.6	V366 M368 R393 Y395 A431	V366-E433 HydrophobicContact CG1-CG 4.29Å; V366-E433 VanDerWaalsContact CG2-OE2 3.28Å; V366-E433 WeakPolarHBondContact CG2-OE2 3.4Å; M368-E433 WeakPolarHBondContact CE-O 3.29Å; R393-E433 IonicContact CZ-OE1 3.52Å; R393-E433 IonicContact CZ-OE2 2.83Å; R393-E433 IonicContact NE-OE1 3.37Å; R393-E433 IonicContact NH1-OE1 3.22Å; R393-E433 PolarHBondContact NH1-OE1 3.43Å; R393-E433 IonicContact NH1-OE2 3.01Å; R393-E433 IonicContact NH2-OE1 2.81Å; R393-E433 PolarHBondContact NH2-OE1 2.96Å; R393-E433 IonicContact NH2-OE2 2.75Å; R393-E433 PolarHBondContact NH2-OE2 3.48Å; Y395-E433 HydrophobicContact CE2-CG 4.33Å; Y395-E433 PolarHBondContact OH-OE1 3.05Å; Y395-E433 VanDerWaalsContact OH-OE1 3.06Å; A431-E433 PolarHBondContact O-N 3.13Å; A431-E433 VanDerWaalsContact O-N 3.16Å
434	K	98.6	Very high	98.4	Very high	91 Å²	91	38.4 Å²	38.4	40%	0.396	19%	0.192	S	C	.	.			trans	-83.5	142.8	179.4	-68.3	-169.2	163.4	-153.1	0	112.9	F462 L463 K464 D465	K434-F462 CarbonylContact C-O 3.58Å; K434-F462 WeakPolarHBondContact CA-O 3.41Å; K434-F462 WeakPolarHBondContact CB-O 3.21Å; K434-L463 PolarHBondContact NZ-O 3.49Å; K434-K464 HydrophobicContact CB-CG 3.64Å; K434-K464 HydrophobicContact CD-CG 4.4Å; K434-K464 WeakPolarHBondContact O-CE 3.32Å; K434-D465 IonicContact NZ-OD1 2.68Å
435	A	98.7	Very high	98.4	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	145.2	175.1	0	0	0	0	0	112.9	M368 L438 F462 L463 K464	M368-A435 HydrophobicContact CB-CB 4.44Å; M368-A435 HydrophobicContact CE-CB 4.01Å; M368-A435 HydrophobicContact CG-CB 3.73Å; M368-A435 HydrophobicContact SD-CB 3.7Å; A435-L438 HydrophobicContact CB-CD2 3.55Å; A435-L438 HydrophobicContact CB-CG 4.44Å; A435-F462 PolarHBondContact N-O 3.35Å; A435-L463 HydrophobicContact CB-CD1 4.1Å; A435-L463 WeakPolarHBondContact O-CD1 3.46Å; A435-K464 WeakPolarHBondContact O-CB 3.2Å; A435-K464 VanDerWaalsContact O-CG 3.24Å; A435-K464 WeakPolarHBondContact O-CG 3.4Å; A435-K464 PolarHBondContact O-N 3.05Å
436	D	98.8	Very high	98.4	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.021	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-37.3	160.2	-69.2	-74.2	0	0	0	111.6	R354 Q365 V366 K464 G467 V468	R354-D436 IonicContact CZ-OD1 2.63Å; R354-D436 IonicContact NH2-OD1 3.17Å; R354-D436 PolarHBondContact NH2-OD1 3.43Å; Q365-D436 HydrophobicContact CB-CB 4.41Å; Q365-D436 VanDerWaalsContact OE1-CG 3.29Å; V366-D436 PolarHBondContact N-OD2 2.89Å; V366-D436 PolarHBondContact O-N 2.93Å; D436-K464 WeakPolarHBondContact OD1-CD 3.38Å; D436-K464 IonicContact OD1-NZ 3.69Å; D436-K464 PolarHBondContact OD1-NZ 3.16Å; D436-K464 IonicContact OD2-NZ 3.1Å; D436-K464 PolarHBondContact OD2-NZ 3.35Å; D436-G467 VanDerWaalsContact O-CA 3.3Å; D436-G467 WeakPolarHBondContact O-CA 3.39Å; D436-V468 PolarHBondContact O-N 3.42Å
437	I	98.9	Very high	98.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	123.9	-175.5	-51.6	172.5	0	0	0	109.3	C350 L351 V366 L367 M368 V439 V468 I470	C350-I437 HydrophobicContact CB-CD1 4.36Å; L351-I437 HydrophobicContact CD2-CD1 3.77Å; L351-I437 HydrophobicContact CG-CD1 4.26Å; V366-I437 PolarHBondContact O-N 3.17Å; L367-I437 CarbonylContact C-O 3.54Å; L367-I437 WeakPolarHBondContact CA-O 3.33Å; L367-I437 HydrophobicContact CD1-CB 4.19Å; L367-I437 HydrophobicContact CD1-CD1 4.37Å; L367-I437 HydrophobicContact CD1-CG2 4.15Å; L367-I437 HydrophobicContact CG-CB 4.18Å; L367-I437 HydrophobicContact CG-CG2 4.38Å; M368-I437 PolarHBondContact N-O 2.79Å; I437-V439 HydrophobicContact CG2-CG2 3.9Å; I437-V468 CarbonylContact C-O 3.52Å; I437-V468 VanDerWaalsContact CA-O 3.3Å; I437-V468 WeakPolarHBondContact CA-O 3.45Å; I437-I470 HydrophobicContact CG2-CD1 4.02Å; I437-I470 HydrophobicContact CG2-CG1 4.34Å
438	L	98.8	Very high	98.5	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.016	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	135.5	162.8	-57.1	-177.5	0	0	0	108.9	M368 L370 A435 F462 L463 V468 I470	M368-L438 HydrophobicContact CB-CD2 3.83Å; M368-L438 HydrophobicContact CG-CD2 4.34Å; M368-L438 WeakPolarHBondContact O-CA 3.02Å; M368-L438 HydrophobicContact SD-CD2 4.27Å; L370-L438 HydrophobicContact CD1-CB 4.27Å; L370-L438 HydrophobicContact CD1-CD1 3.97Å; L370-L438 HydrophobicContact CD1-CD2 4.08Å; L370-L438 HydrophobicContact CD1-CG 4.32Å; L370-L438 HydrophobicContact CG-CD2 4.48Å; A435-L438 HydrophobicContact CB-CD2 3.55Å; A435-L438 HydrophobicContact CB-CG 4.44Å; L438-F462 HydrophobicContact CD2-CD2 4.23Å; L438-F462 HydrophobicContact CD2-CE2 3.95Å; L438-L463 HydrophobicContact CD1-CB 4.23Å; L438-L463 HydrophobicContact CD1-CD1 4.34Å; L438-L463 HydrophobicContact CD1-CD2 4.16Å; L438-L463 HydrophobicContact CD1-CG 4.47Å; L438-L463 HydrophobicContact CD2-CD1 4.43Å; L438-L463 HydrophobicContact CG-CD1 3.85Å; L438-L463 HydrophobicContact CG-CD2 4.42Å; L438-V468 PolarHBondContact N-O 3.37Å; L438-I470 PolarHBondContact O-N 2.83Å
439	V	98.9	Very high	98.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	125	173.2	-176.1	0	0	0	0	108.6	Y343 V347 L367 M368 V369 L370 L377 I437 I470	Y343-V439 HydrophobicContact CD1-CG1 3.93Å; Y343-V439 HydrophobicContact CE1-CG1 4.22Å; V347-V439 HydrophobicContact CG2-CG2 3.86Å; L367-V439 HydrophobicContact CD1-CG2 3.88Å; L367-V439 HydrophobicContact CD2-CB 4.4Å; L367-V439 HydrophobicContact CD2-CG2 3.89Å; L367-V439 HydrophobicContact CG-CG2 3.95Å; M368-V439 PolarHBondContact O-N 2.79Å; V369-V439 CarbonylContact C-O 3.57Å; V369-V439 VanDerWaalsContact CA-O 3.25Å; V369-V439 WeakPolarHBondContact CA-O 3.3Å; L370-V439 PolarHBondContact N-O 3.27Å; L377-V439 HydrophobicContact CD1-CG1 4.29Å; L377-V439 HydrophobicContact CD2-CG1 4.49Å; I437-V439 HydrophobicContact CG2-CG2 3.9Å; V439-I470 CarbonylContact C-O 3.6Å; V439-I470 WeakPolarHBondContact CA-O 3.41Å; V439-I470 HydrophobicContact CG2-CB 4.4Å
440	S	98.9	Very high	98.5	Very high	1 Å²	1	25 Å²	25	1%	0.007	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	151.2	178.4	74.1	0	0	0	0	111.4	Y343 L370 I470 P471	Y343-S440 VanDerWaalsContact CE1-O 3.3Å; Y343-S440 WeakPolarHBondContact CE1-O 3.47Å; Y343-S440 PolarHBondContact OH-O 2.89Å; L370-S440 WeakPolarHBondContact O-CB 3.4Å; S440-I470 PolarHBondContact N-O 2.88Å; S440-P471 WeakPolarHBondContact O-CD 2.78Å
441	E	98.6	Very high	98.6	Very high	30 Å²	30	17.4 Å²	17.4	14%	0.14	9%	0.094	C	C	.	.			trans	-133.7	89.9	168	-164.1	-75.1	91.5	0	0	106.3	K339 Y343 L377 L443 W585	K339-E441 HydrophobicContact CD-CG 4.18Å; K339-E441 IonicContact NZ-OE2 3.92Å; K339-E441 PolarHBondContact NZ-OE2 3.38Å; Y343-E441 HydrophobicContact CE2-CB 4.24Å; Y343-E441 HydrophobicContact CE2-CG 3.79Å; Y343-E441 WeakPolarHBondContact OH-CB 3.47Å; Y343-E441 WeakPolarHBondContact OH-CG 3.14Å; L377-E441 HydrophobicContact CD1-CB 3.75Å; E441-L443 PolarHBondContact OE1-N 3.47Å; E441-W585 HydrophobicContact CG-CZ2 4.44Å; E441-W585 WeakPolarHBondContact OE1-CZ2 3.41Å
442	L	98.5	Very high	98.6	Very high	25 Å²	25	16.3 Å²	16.3	13%	0.131	9%	0.085	C	C	.	.			trans	-125.7	27.1	-174.1	-54.9	171.6	0	0	0	109.6	M426 E450 S452 C455	M426-L442 HydrophobicContact CE-CD1 3.78Å; M426-L442 HydrophobicContact CE-CD2 4.35Å; M426-L442 HydrophobicContact SD-CD1 4.14Å; L442-E450 WeakPolarHBondContact O-CB 3.24Å; L442-S452 WeakPolarHBondContact O-CB 3.47Å; L442-C455 HydrophobicContact CD1-CB 3.77Å
443	L	98.7	Very high	98.6	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.005	6%	0.056	C	C	.	.			trans	-97.6	127	-171.1	-58	-177.9	0	0	0	109.6	E441 G447 Y474 F561 T563 W585	E441-L443 PolarHBondContact OE1-N 3.47Å; L443-G447 WeakPolarHBondContact CA-O 3.39Å; L443-G447 WeakPolarHBondContact CD2-O 3.24Å; L443-Y474 HydrophobicContact CD2-CD1 3.54Å; L443-Y474 HydrophobicContact CD2-CD2 4.24Å; L443-Y474 HydrophobicContact CD2-CE1 3.65Å; L443-Y474 HydrophobicContact CD2-CE2 4.34Å; L443-Y474 HydrophobicContact CD2-CG 3.84Å; L443-F561 HydrophobicContact CB-CE2 4.37Å; L443-F561 HydrophobicContact CB-CZ 4.39Å; L443-F561 HydrophobicContact CD1-CD2 4.26Å; L443-F561 HydrophobicContact CD1-CE2 3.63Å; L443-F561 HydrophobicContact CD1-CZ 4.31Å; L443-T563 HydrophobicContact CD1-CG2 3.78Å; L443-W585 PolarHBondContact O-NE1 2.87Å
444	G	98.4	Very high	98.6	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.048	C	C	.	.	B	Isolated β-bridge	trans	-88.5	-179.8	166.6	0	0	0	0	0	112.1	F446 G447 N449 F561	G444-F446 PolarHBondContact O-N 3.49Å; G444-G447 PolarHBondContact N-O 3.41Å; G444-G447 WeakPolarHBondContact O-CA 3.41Å; G444-G447 PolarHBondContact O-N 3.01Å; G444-N449 WeakPolarHBondContact CA-OD1 3.48Å; G444-F561 WeakPolarHBondContact O-CD1 3.25Å
445	S	98.6	Very high	98.6	Very high	6 Å²	6	6 Å²	6	4%	0.042	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-16.3	178.2	-61.6	0	0	0	0	115.2	N449 Y560 I573 F586	S445-N449 PolarHBondContact N-OD1 3.2Å; S445-Y560 CarbonylContact O-C 3.56Å; S445-I573 WeakPolarHBondContact O-CD1 3.43Å; S445-F586 WeakPolarHBondContact CB-O 3.44Å; S445-F586 PolarHBondContact OG-O 3.23Å
446	F	98.8	Very high	98.6	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.031	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	20.9	173.3	-153.1	-125.9	0	0	0	112.4	G444 D448 N449 S476 Y477 L478 C524 F525 I588 F590 F608 Y619	G444-F446 PolarHBondContact O-N 3.49Å; F446-D448 VanDerWaalsContact C-N 3.26Å; F446-D448 PolarHBondContact O-N 3.4Å; F446-N449 WeakPolarHBondContact CA-OD1 3.29Å; F446-N449 HydrophobicContact CB-CB 4.07Å; F446-N449 WeakPolarHBondContact CB-OD1 3.29Å; F446-N449 PolarHBondContact N-OD1 3.02Å; F446-S476 WeakPolarHBondContact O-CB 3.27Å; F446-Y477 WeakPolarHBondContact CE2-O 3.18Å; F446-L478 HydrophobicContact CE2-CD2 3.57Å; F446-L478 HydrophobicContact CE2-CG 3.83Å; F446-L478 HydrophobicContact CZ-CD1 4.13Å; F446-L478 HydrophobicContact CZ-CD2 3.73Å; F446-L478 HydrophobicContact CZ-CG 3.77Å; F446-C524 HydrophobicContact CZ-CB 4.32Å; F446-F525 HydrophobicContact CE1-CD2 4.39Å; F446-I588 HydrophobicContact CB-CD1 4.38Å; F446-I588 HydrophobicContact CB-CG2 3.92Å; F446-I588 HydrophobicContact CD2-CG2 3.76Å; F446-I588 HydrophobicContact CG-CG2 4.09Å; F446-F590 HydrophobicContact CD1-CE2 4.06Å; F446-F590 AromaticContact CD1-CZ 3.91Å; F446-F590 HydrophobicContact CD1-CZ 3.91Å; F446-F590 AromaticContact CD2-CE2 3.89Å; F446-F590 HydrophobicContact CD2-CE2 3.89Å; F446-F590 HydrophobicContact CE1-CE2 4.03Å; F446-F590 HydrophobicContact CE1-CZ 4.02Å; F446-F590 AromaticContact CE2-CE2 3.87Å; F446-F590 HydrophobicContact CE2-CE2 3.87Å; F446-F590 AromaticContact CG-CE2 3.99Å; F446-F590 HydrophobicContact CG-CE2 3.99Å; F446-F590 HydrophobicContact CG-CZ 4.18Å; F446-F590 AromaticContact CZ-CE2 3.95Å; F446-F590 HydrophobicContact CZ-CE2 3.95Å; F446-F590 HydrophobicContact CZ-CZ 4.38Å; F446-F608 HydrophobicContact CZ-CE1 4.42Å; F446-Y619 HydrophobicContact CD1-CE1 4.26Å; F446-Y619 HydrophobicContact CD1-CE2 4.48Å; F446-Y619 HydrophobicContact CE1-CE1 4.39Å
447	G	98.6	Very high	98.5	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.036	C	C	.	.	B	Isolated β-bridge	trans	75.5	-71	-179.3	0	0	0	0	0	112.2	L443 G444	L443-G447 WeakPolarHBondContact CA-O 3.39Å; L443-G447 WeakPolarHBondContact CD2-O 3.24Å; G444-G447 PolarHBondContact N-O 3.41Å; G444-G447 WeakPolarHBondContact O-CA 3.41Å; G444-G447 PolarHBondContact O-N 3.01Å
448	D	98.7	Very high	98.4	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.046	C	C	.	.	S	Bend	trans	-94.3	-0.7	-171.9	66.7	-94.1	0	0	0	115.2	F446 E450 L451 P453 Y474 F527 R610 Y619	F446-D448 VanDerWaalsContact C-N 3.26Å; F446-D448 PolarHBondContact O-N 3.4Å; D448-E450 PolarHBondContact O-N 2.93Å; D448-E450 VanDerWaalsContact O-N 3.12Å; D448-L451 PolarHBondContact O-N 2.89Å; D448-P453 HydrophobicContact CB-CG 3.84Å; D448-Y474 HydrophobicContact CB-CE2 4.08Å; D448-F527 HydrophobicContact CB-CD2 3.96Å; D448-F527 HydrophobicContact CB-CE2 3.58Å; D448-F527 HydrophobicContact CB-CZ 4.26Å; D448-R610 VanDerWaalsContact OD2-CD 3.25Å; D448-R610 WeakPolarHBondContact OD2-CD 3.45Å; D448-R610 IonicContact OD2-CZ 2.73Å; D448-R610 IonicContact OD2-NE 3.55Å; D448-R610 PolarHBondContact OD2-NE 3.39Å; D448-R610 IonicContact OD2-NH2 3.95Å; D448-Y619 WeakPolarHBondContact OD2-CE1 3.31Å; D448-Y619 PolarHBondContact OD2-OH 2.85Å
449	N	98.7	Very high	98.3	Very high	2 Å²	2	8 Å²	8	1%	0.011	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	2.1	-173.5	72.3	-79.4	0	0	0	115.3	G444 S445 F446 Y619 I641	G444-N449 WeakPolarHBondContact CA-OD1 3.48Å; S445-N449 PolarHBondContact N-OD1 3.2Å; F446-N449 WeakPolarHBondContact CA-OD1 3.29Å; F446-N449 HydrophobicContact CB-CB 4.07Å; F446-N449 WeakPolarHBondContact CB-OD1 3.29Å; F446-N449 PolarHBondContact N-OD1 3.02Å; N449-Y619 WeakPolarHBondContact CA-OH 3.47Å; N449-Y619 HydrophobicContact CB-CE2 3.83Å; N449-Y619 VanDerWaalsContact CB-OH 3.29Å; N449-Y619 WeakPolarHBondContact CB-OH 3.46Å; N449-Y619 PolarHBondContact N-OH 2.67Å; N449-I641 HydrophobicContact CB-CD1 4.45Å; N449-I641 WeakPolarHBondContact O-CD1 3.45Å
450	E	98.6	Very high	98.2	Very high	29 Å²	29	9.6 Å²	9.6	14%	0.136	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.6	17.8	169.2	-69.5	-175.8	-166.5	0	0	112	P320 L442 D448 S452	P320-E450 HydrophobicContact CG-CG 4.49Å; P320-E450 WeakPolarHBondContact CG-OE2 3.32Å; L442-E450 WeakPolarHBondContact O-CB 3.24Å; D448-E450 PolarHBondContact O-N 2.93Å; D448-E450 VanDerWaalsContact O-N 3.12Å; E450-S452 VanDerWaalsContact C-N 3.31Å; E450-S452 PolarHBondContact O-N 3.02Å
451	L	98.4	Very high	98.1	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.074	C	C	.	.			trans	65	27.5	172	-47.3	-172.8	0	0	0	114.9	L321 D448 P453 E454 C455 V617 I641 G642 L643	L321-L451 HydrophobicContact CD2-CB 4.25Å; L321-L451 HydrophobicContact CD2-CD1 4.01Å; D448-L451 PolarHBondContact O-N 2.89Å; L451-P453 VanDerWaalsContact C-N 3.26Å; L451-E454 PolarHBondContact O-N 3.28Å; L451-C455 WeakPolarHBondContact O-CB 3.26Å; L451-C455 PolarHBondContact O-N 2.7Å; L451-C455 PolarHBondContact O-SG 3.33Å; L451-V617 HydrophobicContact CD1-CG2 4.46Å; L451-V617 HydrophobicContact CD2-CB 3.6Å; L451-V617 HydrophobicContact CD2-CG1 3.81Å; L451-V617 HydrophobicContact CD2-CG2 3.85Å; L451-I641 HydrophobicContact CD1-CB 4.15Å; L451-I641 HydrophobicContact CD1-CG2 3.62Å; L451-I641 HydrophobicContact CD2-CB 4.04Å; L451-I641 HydrophobicContact CD2-CD1 4.1Å; L451-I641 HydrophobicContact CD2-CG2 3.84Å; L451-I641 HydrophobicContact CG-CB 4.27Å; L451-I641 HydrophobicContact CG-CG2 3.58Å; L451-G642 VanDerWaalsContact CD1-O 3.31Å; L451-G642 WeakPolarHBondContact CD1-O 3.45Å; L451-L643 HydrophobicContact CD1-CD2 3.75Å; L451-L643 HydrophobicContact CD1-CG 4.13Å
452	S	98.6	Very high	98	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-47.2	-42.2	168.7	174.6	0	0	0	0	113.5	L442 E450 C455 L456 Y474	L442-S452 WeakPolarHBondContact O-CB 3.47Å; E450-S452 VanDerWaalsContact C-N 3.31Å; E450-S452 PolarHBondContact O-N 3.02Å; S452-C455 PolarHBondContact O-N 3.14Å; S452-L456 WeakPolarHBondContact O-CB 3.47Å; S452-L456 WeakPolarHBondContact O-CG 3.22Å; S452-L456 PolarHBondContact O-N 2.88Å; S452-L456 WeakPolarHBondContact OG-CD1 3.41Å; S452-Y474 WeakPolarHBondContact CB-OH 3.39Å; S452-Y474 WeakPolarHBondContact OG-CE1 3.49Å; S452-Y474 PolarHBondContact OG-OH 2.66Å
453	P	98.2	Very high	98	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-58.7	-52.2	178.6	-24.3	34.3	0	0	0	112.7	D448 L451 C455 L456 D457 Y474 F527 N538	D448-P453 HydrophobicContact CB-CG 3.84Å; L451-P453 VanDerWaalsContact C-N 3.26Å; P453-C455 PolarHBondContact O-N 3.19Å; P453-L456 PolarHBondContact O-N 3.34Å; P453-D457 WeakPolarHBondContact O-CB 3.4Å; P453-D457 PolarHBondContact O-N 2.88Å; P453-Y474 WeakPolarHBondContact CD-OH 2.91Å; P453-Y474 HydrophobicContact CG-CE2 4.27Å; P453-Y474 WeakPolarHBondContact CG-OH 3.42Å; P453-Y474 VanDerWaalsContact N-OH 3.14Å; P453-F527 HydrophobicContact CB-CD1 3.66Å; P453-F527 HydrophobicContact CB-CE1 3.82Å; P453-F527 HydrophobicContact CB-CG 4.31Å; P453-F527 HydrophobicContact CG-CB 4.46Å; P453-F527 HydrophobicContact CG-CD1 3.52Å; P453-F527 HydrophobicContact CG-CD2 4.05Å; P453-F527 HydrophobicContact CG-CE1 3.64Å; P453-F527 HydrophobicContact CG-CE2 4.17Å; P453-F527 HydrophobicContact CG-CG 3.74Å; P453-F527 HydrophobicContact CG-CZ 3.98Å; P453-N538 HydrophobicContact CB-CB 4.42Å
454	E	98.1	Very high	98	Very high	20 Å²	20	15.4 Å²	15.4	9%	0.093	8%	0.078	C	C	.	.	H	α-helix	trans	-67.6	-35.7	-177.8	-69.2	79.7	-167.6	0	0	113	L451 G458 N538 R610 L643	L451-E454 PolarHBondContact O-N 3.28Å; E454-G458 PolarHBondContact O-N 2.72Å; E454-N538 WeakPolarHBondContact OE1-CB 3.46Å; E454-R610 VanDerWaalsContact CD-NH2 3.3Å; E454-R610 IonicContact OE1-CZ 3.57Å; E454-R610 VanDerWaalsContact OE1-CZ 3.3Å; E454-R610 IonicContact OE1-NH1 2.79Å; E454-R610 PolarHBondContact OE1-NH1 3.38Å; E454-R610 IonicContact OE1-NH2 2.69Å; E454-R610 PolarHBondContact OE1-NH2 2.95Å; E454-R610 IonicContact OE2-CZ 2.74Å; E454-R610 IonicContact OE2-NH1 3.18Å; E454-R610 IonicContact OE2-NH2 3.73Å; E454-R610 PolarHBondContact OE2-NH2 2.8Å; E454-L643 HydrophobicContact CB-CD2 3.6Å; E454-L643 HydrophobicContact CG-CD2 3.65Å
455	C	98.4	Very high	97.9	Very high	4 Å²	4	23.1 Å²	23.1	3%	0.027	12%	0.12	C	C	.	.	H	α-helix	trans	-63.1	-49.4	174.9	-71.8	0	0	0	0	111.6	M426 L442 L451 S452 P453 G458 A459	M426-C455 HydrophobicContact CE-CB 4.28Å; M426-C455 HydrophobicContact CG-CB 4.49Å; M426-C455 HydrophobicContact SD-CB 3.69Å; L442-C455 HydrophobicContact CD1-CB 3.77Å; L451-C455 WeakPolarHBondContact O-CB 3.26Å; L451-C455 PolarHBondContact O-N 2.7Å; L451-C455 PolarHBondContact O-SG 3.33Å; S452-C455 PolarHBondContact O-N 3.14Å; P453-C455 PolarHBondContact O-N 3.19Å; C455-G458 PolarHBondContact O-N 3.03Å; C455-A459 PolarHBondContact O-N 3.47Å; C455-A459 VanDerWaalsContact O-N 3.1Å
456	L	98.3	Very high	97.8	Very high	4 Å²	4	27.7 Å²	27.7	2%	0.021	14%	0.144	C	C	.	.	H	α-helix	trans	-75.3	-32.5	-176.6	-67.4	178.1	0	0	0	113	L370 S452 P453 G458 A459 Q460 H529	L370-L456 HydrophobicContact CD1-CD2 4.02Å; S452-L456 WeakPolarHBondContact O-CB 3.47Å; S452-L456 WeakPolarHBondContact O-CG 3.22Å; S452-L456 PolarHBondContact O-N 2.88Å; S452-L456 WeakPolarHBondContact OG-CD1 3.41Å; P453-L456 PolarHBondContact O-N 3.34Å; L456-G458 VanDerWaalsContact C-N 3.31Å; L456-G458 PolarHBondContact O-N 3.19Å; L456-A459 PolarHBondContact O-N 3.41Å; L456-Q460 PolarHBondContact O-N 3.17Å; L456-H529 HydrophobicContact CD1-CB 4.42Å
457	D	97.1	Very high	97.8	Very high	24 Å²	24	28.1 Å²	28.1	13%	0.128	15%	0.149	C	C	.	.	H	α-helix	trans	-60.7	-42.6	171	-74.3	-15.4	0	0	0	111	P453 A459 Q460 T531 N538	P453-D457 WeakPolarHBondContact O-CB 3.4Å; P453-D457 PolarHBondContact O-N 2.88Å; D457-A459 VanDerWaalsContact C-N 3.33Å; D457-A459 PolarHBondContact O-N 3.17Å; D457-Q460 WeakPolarHBondContact O-CB 3.5Å; D457-Q460 PolarHBondContact O-N 3.04Å; D457-T531 VanDerWaalsContact OD1-CB 3.28Å; D457-T531 WeakPolarHBondContact OD1-CB 3.5Å; D457-T531 PolarHBondContact OD1-OG1 3.04Å; D457-N538 PolarHBondContact OD2-ND2 3.33Å
458	G	96.3	Very high	97.8	Very high	21 Å²	21	29.3 Å²	29.3	22%	0.216	16%	0.155	C	C	.	.	H	α-helix	trans	-65.9	-34.1	175.6	0	0	0	0	0	113	E454 C455 L456 H461	E454-G458 PolarHBondContact O-N 2.72Å; C455-G458 PolarHBondContact O-N 3.03Å; L456-G458 VanDerWaalsContact C-N 3.31Å; L456-G458 PolarHBondContact O-N 3.19Å; G458-H461 PolarHBondContact O-CE1 3.37Å; G458-H461 PolarHBondContact O-ND1 3.46Å
459	A	97.5	Very high	97.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-79.5	-16.2	177.7	0	0	0	0	0	114.3	L370 M426 C455 L456 D457 H461 F462	L370-A459 HydrophobicContact CD1-CB 3.45Å; L370-A459 VanDerWaalsContact CD1-CB 3.45Å; M426-A459 HydrophobicContact CB-CB 4.33Å; M426-A459 HydrophobicContact CG-CB 4.21Å; M426-A459 HydrophobicContact SD-CB 4.28Å; C455-A459 PolarHBondContact O-N 3.47Å; C455-A459 VanDerWaalsContact O-N 3.1Å; L456-A459 PolarHBondContact O-N 3.41Å; D457-A459 VanDerWaalsContact C-N 3.33Å; D457-A459 PolarHBondContact O-N 3.17Å; A459-H461 PolarHBondContact O-N 2.89Å; A459-H461 VanDerWaalsContact O-N 3.14Å; A459-F462 HydrophobicContact CB-CE1 4.07Å; A459-F462 HydrophobicContact CB-CE2 3.8Å; A459-F462 HydrophobicContact CB-CZ 3.32Å; A459-F462 WeakPolarHBondContact O-CD2 3.43Å; A459-F462 WeakPolarHBondContact O-CE1 3.39Å; A459-F462 WeakPolarHBondContact O-CE2 3.31Å; A459-F462 WeakPolarHBondContact O-CG 3.14Å; A459-F462 VanDerWaalsContact O-CZ 3.31Å; A459-F462 WeakPolarHBondContact O-CZ 3.16Å; A459-F462 PolarHBondContact O-N 3.41Å
460	Q	96.7	Very high	97.8	Very high	35 Å²	35	29.3 Å²	29.3	16%	0.164	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-62.7	-27.8	-169.7	-176.3	167.7	-68.7	0	0	114	L456 D457 F462 L463 P530 T531	L456-Q460 PolarHBondContact O-N 3.17Å; D457-Q460 WeakPolarHBondContact O-CB 3.5Å; D457-Q460 PolarHBondContact O-N 3.04Å; Q460-F462 PolarHBondContact O-N 3.08Å; Q460-L463 WeakPolarHBondContact O-CB 3.39Å; Q460-L463 PolarHBondContact O-N 3.1Å; Q460-P530 HydrophobicContact CG-CB 4.17Å; Q460-P530 VanDerWaalsContact OE1-CA 3.27Å; Q460-P530 VanDerWaalsContact OE1-CB 3.22Å; Q460-T531 PolarHBondContact NE2-O 3.46Å; Q460-T531 PolarHBondContact OE1-O 2.96Å
461	H	95.4	Very high	97.8	Very high	95 Å²	95	28 Å²	28	44%	0.44	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-63.8	-25.4	-175.4	69.3	-85.5	0	0	0	113.6	G458 A459	G458-H461 PolarHBondContact O-CE1 3.37Å; G458-H461 PolarHBondContact O-ND1 3.46Å; A459-H461 PolarHBondContact O-N 2.89Å; A459-H461 VanDerWaalsContact O-N 3.14Å
462	F	97.2	Very high	97.8	Very high	6 Å²	6	29.3 Å²	29.3	3%	0.026	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-97.6	13.3	173.8	54.1	-111.5	0	0	0	114	M368 L370 M426 W429 A431 K434 A435 L438 A459 Q460	M368-F462 HydrophobicContact SD-CD2 3.73Å; M368-F462 HydrophobicContact SD-CE2 3.96Å; L370-F462 HydrophobicContact CD1-CE2 4.27Å; L370-F462 HydrophobicContact CD1-CZ 4.45Å; L370-F462 HydrophobicContact CD2-CE2 4.12Å; L370-F462 HydrophobicContact CD2-CZ 4.18Å; M426-F462 WeakPolarHBondContact O-CE1 3.35Å; W429-F462 HydrophobicContact CE3-CD1 4.43Å; W429-F462 HydrophobicContact CE3-CE1 4Å; W429-F462 HydrophobicContact CE3-CE2 4.36Å; W429-F462 AromaticContact CE3-CZ 3.95Å; W429-F462 HydrophobicContact CE3-CZ 3.95Å; W429-F462 HydrophobicContact CZ3-CE2 4.3Å; W429-F462 HydrophobicContact CZ3-CZ 4.35Å; A431-F462 HydrophobicContact CB-CB 3.59Å; A431-F462 HydrophobicContact CB-CD1 4.04Å; A431-F462 HydrophobicContact CB-CD2 4.46Å; A431-F462 HydrophobicContact CB-CG 3.81Å; K434-F462 CarbonylContact C-O 3.58Å; K434-F462 WeakPolarHBondContact CA-O 3.41Å; K434-F462 WeakPolarHBondContact CB-O 3.21Å; A435-F462 PolarHBondContact N-O 3.35Å; L438-F462 HydrophobicContact CD2-CD2 4.23Å; L438-F462 HydrophobicContact CD2-CE2 3.95Å; A459-F462 HydrophobicContact CB-CE1 4.07Å; A459-F462 HydrophobicContact CB-CE2 3.8Å; A459-F462 HydrophobicContact CB-CZ 3.32Å; A459-F462 WeakPolarHBondContact O-CD2 3.43Å; A459-F462 WeakPolarHBondContact O-CE1 3.39Å; A459-F462 WeakPolarHBondContact O-CE2 3.31Å; A459-F462 WeakPolarHBondContact O-CG 3.14Å; A459-F462 VanDerWaalsContact O-CZ 3.31Å; A459-F462 WeakPolarHBondContact O-CZ 3.16Å; A459-F462 PolarHBondContact O-N 3.41Å; Q460-F462 PolarHBondContact O-N 3.08Å
463	L	98.4	Very high	97.8	Very high	8 Å²	8	30.6 Å²	30.6	4%	0.042	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	142.7	165.2	-169.4	54	0	0	0	110.1	K434 A435 L438 Q460 P530	K434-L463 PolarHBondContact NZ-O 3.49Å; A435-L463 HydrophobicContact CB-CD1 4.1Å; A435-L463 WeakPolarHBondContact O-CD1 3.46Å; L438-L463 HydrophobicContact CD1-CB 4.23Å; L438-L463 HydrophobicContact CD1-CD1 4.34Å; L438-L463 HydrophobicContact CD1-CD2 4.16Å; L438-L463 HydrophobicContact CD1-CG 4.47Å; L438-L463 HydrophobicContact CD2-CD1 4.43Å; L438-L463 HydrophobicContact CG-CD1 3.85Å; L438-L463 HydrophobicContact CG-CD2 4.42Å; Q460-L463 WeakPolarHBondContact O-CB 3.39Å; Q460-L463 PolarHBondContact O-N 3.1Å; L463-P530 HydrophobicContact CD2-CB 4.08Å; L463-P530 HydrophobicContact CD2-CG 4.22Å
464	K	98.4	Very high	97.9	Very high	69 Å²	69	30.7 Å²	30.7	30%	0.3	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	156.7	168.9	-69.7	174.4	-169.1	175	0	110.6	K434 A435 D436 D466 G467	K434-K464 HydrophobicContact CB-CG 3.64Å; K434-K464 HydrophobicContact CD-CG 4.4Å; K434-K464 WeakPolarHBondContact O-CE 3.32Å; A435-K464 WeakPolarHBondContact O-CB 3.2Å; A435-K464 VanDerWaalsContact O-CG 3.24Å; A435-K464 WeakPolarHBondContact O-CG 3.4Å; A435-K464 PolarHBondContact O-N 3.05Å; D436-K464 WeakPolarHBondContact OD1-CD 3.38Å; D436-K464 IonicContact OD1-NZ 3.69Å; D436-K464 PolarHBondContact OD1-NZ 3.16Å; D436-K464 IonicContact OD2-NZ 3.1Å; D436-K464 PolarHBondContact OD2-NZ 3.35Å; K464-D466 WeakPolarHBondContact CB-OD1 3.41Å; K464-D466 PolarHBondContact O-N 3.29Å; K464-G467 WeakPolarHBondContact O-CA 3.28Å; K464-G467 PolarHBondContact O-N 2.81Å
465	D	96.6	Very high	97.9	Very high	163 Å²	163	30.9 Å²	30.9	87%	0.872	17%	0.17	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.3	-29	-177.5	-59.5	-8.5	0	0	0	112.5	K434	K434-D465 IonicContact NZ-OD1 2.68Å
466	D	97.6	Very high	97.9	Very high	101 Å²	101	30.7 Å²	30.7	54%	0.54	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	7.1	173.3	74	-48.8	0	0	0	113	R354 K464	R354-D466 IonicContact CZ-OD2 2.64Å; R354-D466 PolarHBondContact NH1-O 2.7Å; R354-D466 IonicContact NH1-OD2 3.79Å; R354-D466 PolarHBondContact NH1-OD2 3.37Å; R354-D466 IonicContact NH2-OD1 3.65Å; R354-D466 IonicContact NH2-OD2 3.58Å; R354-D466 PolarHBondContact NH2-OD2 2.64Å; K464-D466 WeakPolarHBondContact CB-OD1 3.41Å; K464-D466 PolarHBondContact O-N 3.29Å
467	G	98.2	Very high	98	Very high	10 Å²	10	32 Å²	32	10%	0.103	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	157.5	-173.9	0	0	0	0	0	113.2	D436 K464	D436-G467 VanDerWaalsContact O-CA 3.3Å; D436-G467 WeakPolarHBondContact O-CA 3.39Å; K464-G467 WeakPolarHBondContact O-CA 3.28Å; K464-G467 PolarHBondContact O-N 2.81Å
468	V	98.7	Very high	98.1	Very high	24 Å²	24	30.9 Å²	30.9	15%	0.145	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	135	-176.9	178.3	0	0	0	0	110.3	D436 I437 L438 I470 Y566	D436-V468 PolarHBondContact O-N 3.42Å; I437-V468 CarbonylContact C-O 3.52Å; I437-V468 VanDerWaalsContact CA-O 3.3Å; I437-V468 WeakPolarHBondContact CA-O 3.45Å; L438-V468 PolarHBondContact N-O 3.37Å; V468-I470 HydrophobicContact CG1-CG1 4.18Å; V468-Y566 HydrophobicContact CG1-CD2 3.8Å; V468-Y566 HydrophobicContact CG1-CE2 3.76Å; V468-Y566 HydrophobicContact CG2-CE2 4.41Å
469	S	98.8	Very high	98.2	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.021	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	136.7	165.3	-170.3	0	0	0	0	110.6	P471 C472 H529	S469-P471 CarbonylContact C-O 3.48Å; S469-P471 CarbonylContact O-C 3.28Å; S469-P471 VanDerWaalsContact O-C 3.28Å; S469-P471 PolarHBondContact OG-O 2.83Å; S469-C472 WeakPolarHBondContact O-CA 3.43Å; S469-C472 PolarHBondContact O-N 3.16Å; S469-C472 PolarHBondContact O-SG 2.94Å; S469-H529 VanDerWaalsContact CB-CB 3.49Å; S469-H529 WeakPolarHBondContact OG-CB 3.31Å
470	I	98.9	Very high	98.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	109.1	171.5	-60.5	-179.9	0	0	0	106.9	Y343 A346 V347 C350 I437 L438 V439 S440 V468 L565	Y343-I470 HydrophobicContact CD1-CG2 4.07Å; Y343-I470 HydrophobicContact CE1-CG2 4.11Å; A346-I470 HydrophobicContact CB-CD1 4.3Å; A346-I470 HydrophobicContact CB-CG2 4.1Å; V347-I470 HydrophobicContact CG2-CD1 4.06Å; C350-I470 HydrophobicContact CB-CD1 4.12Å; I437-I470 HydrophobicContact CG2-CD1 4.02Å; I437-I470 HydrophobicContact CG2-CG1 4.34Å; L438-I470 PolarHBondContact O-N 2.83Å; V439-I470 CarbonylContact C-O 3.6Å; V439-I470 WeakPolarHBondContact CA-O 3.41Å; V439-I470 HydrophobicContact CG2-CB 4.4Å; S440-I470 PolarHBondContact N-O 2.88Å; V468-I470 HydrophobicContact CG1-CG1 4.18Å; I470-L565 HydrophobicContact CG2-CB 4.1Å
471	P	98.8	Very high	98.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.15	C	C	.	.	S	Bend	cis	-73.6	148.2	8.2	30.7	-36.8	0	0	0	114.5	S440 S469 Y474 T563 L565	S440-P471 WeakPolarHBondContact O-CD 2.78Å; S469-P471 CarbonylContact C-O 3.48Å; S469-P471 CarbonylContact O-C 3.28Å; S469-P471 VanDerWaalsContact O-C 3.28Å; S469-P471 PolarHBondContact OG-O 2.83Å; P471-Y474 HydrophobicContact CB-CD1 4.48Å; P471-Y474 HydrophobicContact CG-CD1 4.02Å; P471-Y474 HydrophobicContact CG-CE1 4.22Å; P471-T563 WeakPolarHBondContact CB-OG1 3.31Å; P471-L565 HydrophobicContact CB-CD2 4.07Å
472	C	98.5	Very high	98.4	Very high	29 Å²	29	23.9 Å²	23.9	20%	0.196	13%	0.13	C	C	.	.			trans	-73.8	-36	171.9	-65.4	0	0	0	0	111.9	S469 T528 H529 T564 L565	S469-C472 WeakPolarHBondContact O-CA 3.43Å; S469-C472 PolarHBondContact O-N 3.16Å; S469-C472 PolarHBondContact O-SG 2.94Å; C472-T528 CarbonylContact O-C 3.47Å; C472-T528 WeakPolarHBondContact O-CA 3.44Å; C472-H529 PolarHBondContact O-N 3.18Å; C472-T564 PolarHBondContact N-O 3.48Å; C472-L565 PolarHBondContact N-O 3.14Å; C472-L565 PolarHBondContact SG-O 3.47Å; C472-L565 VanDerWaalsContact SG-O 3.34Å
473	S	98.7	Very high	98.4	Very high	27 Å²	27	23.6 Å²	23.6	19%	0.189	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	162.6	178.4	66.4	0	0	0	0	112.3	F527 T563 T564	S473-F527 WeakPolarHBondContact CA-O 2.83Å; S473-F527 VanDerWaalsContact CB-O 3.25Å; S473-F527 WeakPolarHBondContact CB-O 3.29Å; S473-T563 CarbonylContact O-C 3.57Å; S473-T563 VanDerWaalsContact O-CA 3.29Å; S473-T563 WeakPolarHBondContact O-CA 3.42Å; S473-T563 WeakPolarHBondContact O-CB 3.28Å; S473-T563 PolarHBondContact O-OG1 3.38Å; S473-T564 PolarHBondContact N-O 2.83Å; S473-T564 PolarHBondContact O-N 2.92Å
474	Y	98.8	Very high	98.4	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.008	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	150.5	170.2	42.8	-94.7	0	0	0	110.9	L443 D448 S452 P453 P471 T526 F527 H529 E562	L443-Y474 HydrophobicContact CD2-CD1 3.54Å; L443-Y474 HydrophobicContact CD2-CD2 4.24Å; L443-Y474 HydrophobicContact CD2-CE1 3.65Å; L443-Y474 HydrophobicContact CD2-CE2 4.34Å; L443-Y474 HydrophobicContact CD2-CG 3.84Å; D448-Y474 HydrophobicContact CB-CE2 4.08Å; S452-Y474 WeakPolarHBondContact CB-OH 3.39Å; S452-Y474 WeakPolarHBondContact OG-CE1 3.49Å; S452-Y474 PolarHBondContact OG-OH 2.66Å; P453-Y474 WeakPolarHBondContact CD-OH 2.91Å; P453-Y474 HydrophobicContact CG-CE2 4.27Å; P453-Y474 WeakPolarHBondContact CG-OH 3.42Å; P453-Y474 VanDerWaalsContact N-OH 3.14Å; P471-Y474 HydrophobicContact CB-CD1 4.48Å; P471-Y474 HydrophobicContact CG-CD1 4.02Å; P471-Y474 HydrophobicContact CG-CE1 4.22Å; Y474-T526 VanDerWaalsContact O-CA 3.32Å; Y474-T526 WeakPolarHBondContact O-CA 3.35Å; Y474-F527 HydrophobicContact CD2-CB 4.13Å; Y474-F527 HydrophobicContact CD2-CD2 4.13Å; Y474-F527 HydrophobicContact CE2-CB 3.53Å; Y474-F527 AromaticContact CE2-CD2 3.63Å; Y474-F527 HydrophobicContact CE2-CD2 3.63Å; Y474-F527 AromaticContact CE2-CG 3.84Å; Y474-F527 HydrophobicContact CE2-CG 3.84Å; Y474-F527 PolarHBondContact N-O 2.99Å; Y474-F527 VanDerWaalsContact N-O 3.07Å; Y474-F527 PolarHBondContact O-N 2.97Å; Y474-H529 AromaticContact CE1-CD2 3.55Å; Y474-H529 AromaticContact CE1-NE2 3.4Å; Y474-H529 WeakPolarHBondContact CE1-NE2 3.47Å; Y474-H529 AromaticContact CZ-NE2 3.39Å; Y474-H529 PolarHBondContact OH-NE2 3.32Å; Y474-E562 CarbonylContact C-O 3.55Å; Y474-E562 WeakPolarHBondContact CA-O 3Å; Y474-E562 WeakPolarHBondContact CB-O 3.27Å
475	T	98.9	Very high	98.3	Very high	23 Å²	23	22.6 Å²	22.6	14%	0.141	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	126.9	-179.7	-60.4	0	0	0	0	109.8	Y477 P523 F525 T526 F561 E562	T475-Y477 HydrophobicContact CG2-CD2 4.35Å; T475-Y477 HydrophobicContact CG2-CE2 3.85Å; T475-Y477 WeakPolarHBondContact O-CD2 3.31Å; T475-Y477 WeakPolarHBondContact O-CE2 3.38Å; T475-P523 HydrophobicContact CG2-CB 3.67Å; T475-F525 CarbonylContact C-O 3.49Å; T475-F525 VanDerWaalsContact CA-O 3.25Å; T475-F525 WeakPolarHBondContact CA-O 3.29Å; T475-T526 WeakPolarHBondContact CG2-OG1 3.37Å; T475-T526 WeakPolarHBondContact OG1-CG2 3.41Å; T475-T526 PolarHBondContact OG1-OG1 2.82Å; T475-F561 CarbonylContact O-C 3.57Å; T475-F561 VanDerWaalsContact O-CA 3.27Å; T475-F561 WeakPolarHBondContact O-CA 3.47Å; T475-E562 PolarHBondContact N-O 3.08Å; T475-E562 PolarHBondContact O-N 2.94Å
476	S	98.9	Very high	98.4	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	152.2	170.4	61.8	0	0	0	0	110.8	F446 P523 C524 F525 Y560	F446-S476 WeakPolarHBondContact O-CB 3.27Å; S476-P523 CarbonylContact O-C 3.49Å; S476-P523 WeakPolarHBondContact O-CA 3.37Å; S476-C524 PolarHBondContact O-N 3.17Å; S476-F525 PolarHBondContact N-O 3.08Å; S476-F525 PolarHBondContact OG-N 3.03Å; S476-F525 PolarHBondContact OG-O 3.06Å; S476-Y560 CarbonylContact C-O 3.5Å; S476-Y560 WeakPolarHBondContact CA-O 3.49Å
477	Y	98.9	Very high	98.5	Very high	33 Å²	33	11 Å²	11	13%	0.129	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	145.8	179.4	-70.3	-100	0	0	0	110.5	F446 T475 P521 K522 P523 G559 Y560 E562 K574	F446-Y477 WeakPolarHBondContact CE2-O 3.18Å; T475-Y477 HydrophobicContact CG2-CD2 4.35Å; T475-Y477 HydrophobicContact CG2-CE2 3.85Å; T475-Y477 WeakPolarHBondContact O-CD2 3.31Å; T475-Y477 WeakPolarHBondContact O-CE2 3.38Å; Y477-P521 HydrophobicContact CD1-CB 4.49Å; Y477-K522 CarbonylContact C-O 3.59Å; Y477-K522 VanDerWaalsContact CA-O 3.27Å; Y477-K522 WeakPolarHBondContact CA-O 3.44Å; Y477-K522 VanDerWaalsContact CD1-C 3.48Å; Y477-P523 HydrophobicContact CD1-CB 4.09Å; Y477-P523 HydrophobicContact CE1-CB 3.74Å; Y477-P523 HydrophobicContact CE1-CG 4.29Å; Y477-G559 CarbonylContact O-C 3.59Å; Y477-G559 VanDerWaalsContact O-CA 3.24Å; Y477-G559 WeakPolarHBondContact O-CA 3.1Å; Y477-Y560 PolarHBondContact N-O 2.57Å; Y477-Y560 PolarHBondContact O-N 3.42Å; Y477-E562 HydrophobicContact CD2-CG 4.28Å; Y477-E562 HydrophobicContact CE2-CB 3.96Å; Y477-E562 HydrophobicContact CE2-CG 3.61Å; Y477-E562 WeakPolarHBondContact CE2-OE2 3.35Å; Y477-E562 VanDerWaalsContact CZ-OE2 3.28Å; Y477-E562 PolarHBondContact OH-OE2 3.32Å; Y477-K574 HydrophobicContact CD1-CD 4.08Å; Y477-K574 HydrophobicContact CE1-CD 4.12Å; Y477-K574 HydrophobicContact CG-CD 4.3Å
478	L	98.9	Very high	98.5	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	141.5	174.8	-73.3	167.3	0	0	0	111	F446 P521 K522 C524 L544 F546 F557 A558 F590 F608	F446-L478 HydrophobicContact CE2-CD2 3.57Å; F446-L478 HydrophobicContact CE2-CG 3.83Å; F446-L478 HydrophobicContact CZ-CD1 4.13Å; F446-L478 HydrophobicContact CZ-CD2 3.73Å; F446-L478 HydrophobicContact CZ-CG 3.77Å; L478-P521 CarbonylContact O-C 3.58Å; L478-P521 VanDerWaalsContact O-CA 3.28Å; L478-P521 WeakPolarHBondContact O-CA 3.32Å; L478-K522 PolarHBondContact N-O 3.48Å; L478-K522 PolarHBondContact O-N 2.73Å; L478-C524 HydrophobicContact CD1-CB 4.14Å; L478-C524 HydrophobicContact CG-CB 4.32Å; L478-L544 HydrophobicContact CB-CD1 4.01Å; L478-L544 HydrophobicContact CD1-CD1 4.03Å; L478-F546 HydrophobicContact CB-CZ 4.43Å; L478-F546 VanDerWaalsContact O-CE1 3.31Å; L478-F546 WeakPolarHBondContact O-CE1 3.45Å; L478-F546 VanDerWaalsContact O-CZ 3.22Å; L478-F546 WeakPolarHBondContact O-CZ 3.3Å; L478-F557 HydrophobicContact CD2-CB 3.87Å; L478-A558 CarbonylContact C-O 3.44Å; L478-A558 VanDerWaalsContact CA-O 3.3Å; L478-A558 WeakPolarHBondContact CA-O 3.18Å; L478-F590 HydrophobicContact CD2-CD2 3.97Å; L478-F590 HydrophobicContact CD2-CE2 4.28Å; L478-F608 HydrophobicContact CD1-CB 4.42Å; L478-F608 HydrophobicContact CD1-CD1 3.96Å; L478-F608 HydrophobicContact CD1-CD2 3.49Å; L478-F608 VanDerWaalsContact CD1-CD2 3.49Å; L478-F608 HydrophobicContact CD1-CE1 4.02Å; L478-F608 HydrophobicContact CD1-CE2 3.57Å; L478-F608 HydrophobicContact CD1-CG 3.69Å; L478-F608 HydrophobicContact CD1-CZ 3.84Å; L478-F608 HydrophobicContact CD2-CE1 4.34Å; L478-F608 HydrophobicContact CD2-CE2 4.34Å; L478-F608 HydrophobicContact CD2-CZ 3.99Å
479	A	98.7	Very high	98.4	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	131.9	169.6	0	0	0	0	0	110.4	Q517 P521 F557 A558 Y560	A479-Q517 HydrophobicContact CB-CG 3.99Å; A479-P521 HydrophobicContact CB-CB 4.08Å; A479-P521 HydrophobicContact CB-CG 3.95Å; A479-F557 CarbonylContact O-C 3.36Å; A479-F557 VanDerWaalsContact O-CA 3.27Å; A479-F557 WeakPolarHBondContact O-CA 3.49Å; A479-A558 PolarHBondContact N-O 3.45Å; A479-A558 PolarHBondContact O-N 3.1Å; A479-Y560 HydrophobicContact CB-CE2 4.13Å
480	P	98.5	Very high	98.4	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	140.1	174.2	27.3	-33	0	0	0	110.5	L518 A519 F546 L554 F557 I604	P480-L518 HydrophobicContact CB-CB 4.32Å; P480-L518 HydrophobicContact CG-CB 4.14Å; P480-L518 PolarHBondContact O-N 3.49Å; P480-A519 HydrophobicContact CG-CB 3.81Å; P480-F546 HydrophobicContact CG-CB 3.91Å; P480-F546 HydrophobicContact CG-CD1 4.08Å; P480-F546 HydrophobicContact CG-CD2 4.19Å; P480-F546 HydrophobicContact CG-CG 3.82Å; P480-L554 HydrophobicContact CB-CD1 3.6Å; P480-F557 HydrophobicContact CB-CD1 4.14Å; P480-F557 HydrophobicContact CB-CE1 3.89Å; P480-I604 HydrophobicContact CB-CD1 3.8Å; P480-I604 HydrophobicContact CG-CD1 4.17Å
481	L	97.6	Very high	98.3	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.005	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	151.6	177.4	70	84.8	0	0	0	113.8	L512 F515 H516 H555 G556 A558 L589	L481-L512 HydrophobicContact CD2-CD1 4.19Å; L481-L512 HydrophobicContact CD2-CD2 4.27Å; L481-F515 HydrophobicContact CB-CD2 4.08Å; L481-F515 HydrophobicContact CD2-CD2 4.47Å; L481-H516 CarbonylContact C-O 3.58Å; L481-H516 VanDerWaalsContact CA-O 3.28Å; L481-H516 WeakPolarHBondContact CA-O 3.43Å; L481-H555 PolarHBondContact O-N 2.81Å; L481-G556 PolarHBondContact N-O 2.69Å; L481-A558 HydrophobicContact CD2-CB 3.82Å; L481-L589 HydrophobicContact CD1-CD1 4.34Å; L481-L589 HydrophobicContact CD2-CD1 3.86Å; L481-L589 HydrophobicContact CG-CD1 4.47Å
482	S	98.1	Very high	98.2	Very high	3 Å²	3	22.5 Å²	22.5	2%	0.021	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	123.6	164.9	179.9	0	0	0	0	110.1	F515 H516 S552 V553 H555	S482-F515 WeakPolarHBondContact O-CA 3.35Å; S482-H516 PolarHBondContact N-O 3Å; S482-H516 PolarHBondContact O-N 2.89Å; S482-S552 WeakPolarHBondContact CB-OG 3.42Å; S482-V553 WeakPolarHBondContact CA-O 3.5Å; S482-V553 WeakPolarHBondContact CB-O 3.45Å; S482-V553 PolarHBondContact OG-O 3.2Å; S482-H555 WeakPolarHBondContact CA-ND1 3.41Å; S482-H555 PolarHBondContact OG-CE1 2.93Å; S482-H555 PolarHBondContact OG-ND1 2.76Å
483	S	98.4	Very high	98.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.129	C	C	.	.			trans	-158	98.9	168.2	-179.4	0	0	0	0	109.7	K485 L486 Y487 N514 H555	S483-K485 PolarHBondContact O-N 3.48Å; S483-L486 PolarHBondContact O-N 2.96Å; S483-L486 WeakPolarHBondContact OG-CB 3.48Å; S483-L486 WeakPolarHBondContact OG-CG 3.48Å; S483-L486 PolarHBondContact OG-N 2.75Å; S483-Y487 WeakPolarHBondContact O-CB 3.36Å; S483-Y487 PolarHBondContact O-N 3.31Å; S483-N514 WeakPolarHBondContact CB-O 3.36Å; S483-N514 PolarHBondContact OG-O 3.04Å; S483-H555 PolarHBondContact N-ND1 2.84Å
484	S	97.6	Very high	97.8	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.014	15%	0.151	C	C	.	.	H	α-helix	trans	-64.9	-26.2	172.4	-63.8	0	0	0	0	111.5	R199 G229 N488 H555	R199-S484 PolarHBondContact NH2-OG 3Å; G229-S484 PolarHBondContact O-N 2.91Å; S484-N488 PolarHBondContact O-N 2.94Å; S484-H555 PolarHBondContact N-CE1 3.4Å; S484-H555 PolarHBondContact OG-CE1 3Å; S484-H555 PolarHBondContact OG-NE2 2.98Å
485	K	97.3	Very high	97.5	Very high	53 Å²	53	34.7 Å²	34.7	23%	0.23	17%	0.173	C	C	.	.	H	α-helix	trans	-59.7	-60.6	168.6	-177.2	-169.7	173.8	-176.7	0	110.9	G229 D312 S483 Y487 N488 E489 N514	G229-K485 PolarHBondContact O-N 3.14Å; D312-K485 HydrophobicContact CB-CD 4.23Å; D312-K485 WeakPolarHBondContact OD2-CD 3.5Å; D312-K485 WeakPolarHBondContact OD2-CE 3.44Å; D312-K485 IonicContact OD2-NZ 2.76Å; D312-K485 PolarHBondContact OD2-NZ 3.43Å; S483-K485 PolarHBondContact O-N 3.48Å; K485-Y487 VanDerWaalsContact C-N 3.31Å; K485-Y487 PolarHBondContact O-N 3.08Å; K485-N488 WeakPolarHBondContact O-CB 3.41Å; K485-N488 PolarHBondContact O-N 3.06Å; K485-N488 VanDerWaalsContact O-N 3.08Å; K485-E489 PolarHBondContact O-N 3.19Å; K485-N514 HydrophobicContact CD-CB 3.79Å
486	L	98.4	Very high	97	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-63.7	-35.8	-176.7	-73.5	167.2	0	0	0	112.3	D312 L314 S483 N488 E489 V490 V510 L512 F515 L589	D312-L486 HydrophobicContact CB-CD2 3.73Å; D312-L486 HydrophobicContact CB-CG 4.45Å; L314-L486 HydrophobicContact CD2-CD2 4.08Å; S483-L486 PolarHBondContact O-N 2.96Å; S483-L486 WeakPolarHBondContact OG-CB 3.48Å; S483-L486 WeakPolarHBondContact OG-CG 3.48Å; S483-L486 PolarHBondContact OG-N 2.75Å; L486-N488 VanDerWaalsContact C-N 3.27Å; L486-N488 PolarHBondContact O-N 2.88Å; L486-E489 PolarHBondContact O-N 2.98Å; L486-V490 WeakPolarHBondContact O-CG2 3.39Å; L486-V490 PolarHBondContact O-N 2.96Å; L486-V510 HydrophobicContact CD2-CG2 3.99Å; L486-L512 HydrophobicContact CD1-CD2 3.39Å; L486-F515 HydrophobicContact CD1-CB 4.5Å; L486-L589 HydrophobicContact CB-CD2 4.39Å
487	Y	98.5	Very high	96.7	Very high	19 Å²	19	52.7 Å²	52.7	8%	0.075	25%	0.25	C	S	.	.	H	α-helix	trans	-55.1	-44.5	172.5	177.2	-103.3	0	0	0	111.9	Y204 S483 K485 V490 R491 F504 H555 K593 P595	Y204-Y487 HydrophobicContact CD1-CD1 4.07Å; Y204-Y487 HydrophobicContact CD1-CE1 4.4Å; Y204-Y487 HydrophobicContact CE1-CD1 4.43Å; Y204-Y487 HydrophobicContact CG-CD1 4.41Å; Y204-Y487 HydrophobicContact CG-CE1 4.32Å; S483-Y487 WeakPolarHBondContact O-CB 3.36Å; S483-Y487 PolarHBondContact O-N 3.31Å; K485-Y487 VanDerWaalsContact C-N 3.31Å; K485-Y487 PolarHBondContact O-N 3.08Å; Y487-V490 PolarHBondContact O-N 2.97Å; Y487-R491 WeakPolarHBondContact O-CB 3.47Å; Y487-R491 PolarHBondContact O-N 2.86Å; Y487-F504 AromaticContact CD2-CE1 3.69Å; Y487-F504 HydrophobicContact CD2-CE1 3.69Å; Y487-F504 HydrophobicContact CD2-CZ 4.23Å; Y487-F504 HydrophobicContact CE2-CD1 4.38Å; Y487-F504 AromaticContact CE2-CE1 3.39Å; Y487-F504 HydrophobicContact CE2-CE1 3.39Å; Y487-F504 AromaticContact CE2-CZ 3.63Å; Y487-F504 HydrophobicContact CE2-CZ 3.63Å; Y487-F504 AromaticContact CZ-CZ 3.95Å; Y487-H555 VanDerWaalsContact CB-CD2 3.48Å; Y487-H555 WeakPolarHBondContact CB-CD2 3.3Å; Y487-H555 AromaticContact CG-CD2 3.78Å; Y487-K593 PolarHBondContact OH-O 3.25Å; Y487-K593 VanDerWaalsContact OH-O 3.1Å; Y487-P595 HydrophobicContact CD1-CG 4.27Å; Y487-P595 HydrophobicContact CD2-CG 4.09Å; Y487-P595 HydrophobicContact CE1-CG 3.88Å; Y487-P595 HydrophobicContact CE2-CG 3.7Å; Y487-P595 HydrophobicContact CG-CG 4.37Å
488	N	97.8	Very high	96.5	Very high	37 Å²	37	56.6 Å²	56.6	20%	0.198	27%	0.268	C	S	.	.	H	α-helix	trans	-72.1	-32.8	176.7	-90.6	-23.3	0	0	0	113.9	Y204 S484 K485 L486 R491 G492	Y204-N488 WeakPolarHBondContact CB-OD1 3.34Å; Y204-N488 PolarHBondContact O-ND2 3.2Å; Y204-N488 PolarHBondContact O-OD1 3.21Å; S484-N488 PolarHBondContact O-N 2.94Å; K485-N488 WeakPolarHBondContact O-CB 3.41Å; K485-N488 PolarHBondContact O-N 3.06Å; K485-N488 VanDerWaalsContact O-N 3.08Å; L486-N488 VanDerWaalsContact C-N 3.27Å; L486-N488 PolarHBondContact O-N 2.88Å; N488-R491 PolarHBondContact O-N 3.48Å; N488-G492 PolarHBondContact O-N 3.26Å
489	E	98.2	Very high	96.2	Very high	93 Å²	93	60 Å²	60	44%	0.435	29%	0.286	S	S	.	.	H	α-helix	trans	-62.4	-46.8	171.7	-64.4	-60.1	156.5	0	0	110.4	L314 K485 L486 R491 G492 C493	L314-E489 HydrophobicContact CD1-CB 3.73Å; L314-E489 HydrophobicContact CG-CB 4.2Å; K485-E489 PolarHBondContact O-N 3.19Å; L486-E489 PolarHBondContact O-N 2.98Å; E489-R491 PolarHBondContact O-N 2.75Å; E489-G492 WeakPolarHBondContact O-CA 3.28Å; E489-G492 PolarHBondContact O-N 3Å; E489-C493 PolarHBondContact O-N 2.65Å; E489-C493 PolarHBondContact O-SG 3.3Å
490	V	98.4	Very high	96.1	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-61.4	-45.8	176.3	172.8	0	0	0	0	110.5	L314 L486 Y487 G492 C493 H503 F504 Y508 L589 P591	L314-V490 HydrophobicContact CD1-CB 4.29Å; L314-V490 HydrophobicContact CD1-CG2 3.6Å; L314-V490 HydrophobicContact CD2-CG2 4.39Å; L486-V490 WeakPolarHBondContact O-CG2 3.39Å; L486-V490 PolarHBondContact O-N 2.96Å; Y487-V490 PolarHBondContact O-N 2.97Å; V490-G492 PolarHBondContact O-N 3.07Å; V490-C493 VanDerWaalsContact O-CB 3.28Å; V490-C493 WeakPolarHBondContact O-CB 3.46Å; V490-C493 PolarHBondContact O-N 3.25Å; V490-H503 HydrophobicContact CG1-CB 4.46Å; V490-H503 WeakPolarHBondContact CG1-O 3.49Å; V490-H503 PolarHBondContact O-CD2 3.46Å; V490-F504 HydrophobicContact CB-CD1 4.47Å; V490-F504 HydrophobicContact CB-CE1 4.16Å; V490-F504 HydrophobicContact CG1-CD1 3.52Å; V490-F504 HydrophobicContact CG1-CE1 3.62Å; V490-F504 HydrophobicContact CG1-CG 4.14Å; V490-F504 HydrophobicContact CG1-CZ 4.33Å; V490-Y508 HydrophobicContact CG1-CE2 4.17Å; V490-Y508 HydrophobicContact CG2-CD2 4.25Å; V490-Y508 HydrophobicContact CG2-CE2 4.13Å; V490-L589 HydrophobicContact CG2-CD2 4.01Å; V490-P591 HydrophobicContact CG1-CB 4.04Å; V490-P591 HydrophobicContact CG1-CG 4.07Å; V490-P591 HydrophobicContact CG2-CB 4.2Å
491	R	96.7	Very high	96	Very high	86 Å²	86	66.7 Å²	66.7	33%	0.325	32%	0.323	S	S	.	.	H	α-helix	trans	-57.2	-31.7	174.6	-167.6	179.1	176.5	-168.6	3	112.6	D203 Y487 N488 E489 C493 F504	D203-R491 VanDerWaalsContact CG-NH2 3.3Å; D203-R491 PolarHBondContact O-NH1 3.46Å; D203-R491 IonicContact OD1-CZ 2.72Å; D203-R491 IonicContact OD1-NH1 3.03Å; D203-R491 PolarHBondContact OD1-NH1 2.97Å; D203-R491 IonicContact OD1-NH2 2.69Å; D203-R491 PolarHBondContact OD1-NH2 3.46Å; D203-R491 IonicContact OD2-CZ 3.92Å; D203-R491 IonicContact OD2-NH1 3.17Å; D203-R491 IonicContact OD2-NH2 3.3Å; D203-R491 PolarHBondContact OD2-NH2 3.12Å; Y487-R491 WeakPolarHBondContact O-CB 3.47Å; Y487-R491 PolarHBondContact O-N 2.86Å; N488-R491 PolarHBondContact O-N 3.48Å; E489-R491 PolarHBondContact O-N 2.75Å; R491-C493 VanDerWaalsContact C-N 3.25Å; R491-C493 PolarHBondContact O-N 3.18Å; R491-F504 HydrophobicContact CB-CE2 4.46Å; R491-F504 HydrophobicContact CB-CZ 3.87Å; R491-F504 HydrophobicContact CG-CZ 4.28Å
492	G	95.8	Very high	96	Very high	62 Å²	62	67.2 Å²	67.2	64%	0.639	33%	0.327	S	S	*	.	H	α-helix	trans	-69	-18.2	176	0	0	0	0	0	114.3	N488 E489 V490 R494	N488-G492 PolarHBondContact O-N 3.26Å; E489-G492 WeakPolarHBondContact O-CA 3.28Å; E489-G492 PolarHBondContact O-N 3Å; V490-G492 PolarHBondContact O-N 3.07Å; G492-R494 PolarHBondContact O-N 3.29Å
493	C	96.4	Very high	95.9	Very high	44 Å²	44	67.5 Å²	67.5	30%	0.297	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	11.4	179.9	-60.7	0	0	0	0	114.1	E489 V490 R491 E495 H503	E489-C493 PolarHBondContact O-N 2.65Å; E489-C493 PolarHBondContact O-SG 3.3Å; V490-C493 VanDerWaalsContact O-CB 3.28Å; V490-C493 WeakPolarHBondContact O-CB 3.46Å; V490-C493 PolarHBondContact O-N 3.25Å; R491-C493 VanDerWaalsContact C-N 3.25Å; R491-C493 PolarHBondContact O-N 3.18Å; C493-E495 PolarHBondContact O-N 2.99Å; C493-H503 HydrophobicContact CB-CB 3.86Å
494	R	93.6	Very high	96	Very high	173 Å²	173	67.9 Å²	67.9	65%	0.653	33%	0.33	S	S	*	.			trans	-62.3	119.8	177.2	-176.3	179	172.7	-174.3	0.5	111.4	G492	G492-R494 PolarHBondContact O-N 3.29Å
495	E	91.7	Very high	96	Very high	98 Å²	98	67.8 Å²	67.8	46%	0.458	33%	0.329	S	S	.	.			trans	-97.6	152.4	173.2	-66.6	176.4	-147.2	0	0	111.3	C493 K498	C493-E495 PolarHBondContact O-N 2.99Å; E495-K498 HydrophobicContact CB-CD 4.39Å; E495-K498 IonicContact OE1-NZ 3.93Å; E495-K498 PolarHBondContact OE1-NZ 2.99Å; E495-K498 VanDerWaalsContact OE2-CD 3.27Å; E495-K498 WeakPolarHBondContact OE2-CD 3.32Å; E495-K498 WeakPolarHBondContact OE2-CE 3.14Å; E495-K498 IonicContact OE2-NZ 3.74Å; E495-K498 PolarHBondContact OE2-NZ 3.27Å
496	R	88.4	Confident	96.1	Very high	241 Å²	241	66.3 Å²	66.3	91%	0.909	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-32.3	-174.8	-73.6	-176.5	66.3	-161.5	-1.9	114.1
497	D	93.2	Very high	96.1	Very high	160 Å²	160	66.3 Å²	66.3	86%	0.856	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	8.6	-168.3	-55.7	-41.3	0	0	0	113.4
498	K	93.4	Very high	96.1	Very high	114 Å²	114	66.2 Å²	66.2	50%	0.496	32%	0.324	S	S	.	.	S	Bend	trans	-115.5	170.3	177.9	-67.1	-178	-178.8	158.3	0	110.9	E495	E495-K498 HydrophobicContact CB-CD 4.39Å; E495-K498 IonicContact OE1-NZ 3.93Å; E495-K498 PolarHBondContact OE1-NZ 2.99Å; E495-K498 VanDerWaalsContact OE2-CD 3.27Å; E495-K498 WeakPolarHBondContact OE2-CD 3.32Å; E495-K498 WeakPolarHBondContact OE2-CE 3.14Å; E495-K498 IonicContact OE2-NZ 3.74Å; E495-K498 PolarHBondContact OE2-NZ 3.27Å
499	D	94.4	Very high	96.1	Very high	72 Å²	72	65.5 Å²	65.5	39%	0.385	32%	0.321	S	S	.	.			trans	-51.7	131	169	-179.4	-63	0	0	0	109.3	E501 C502	D499-E501 PolarHBondContact O-N 2.72Å; D499-E501 PolarHBondContact OD1-N 3.24Å; D499-C502 HydrophobicContact CB-CB 4.16Å; D499-C502 WeakPolarHBondContact O-CB 3.31Å; D499-C502 PolarHBondContact O-N 3.4Å; D499-C502 VanDerWaalsContact O-N 3.08Å; D499-C502 PolarHBondContact O-SG 3.02Å
500	P	95.2	Very high	96.1	Very high	67 Å²	67	61 Å²	61	44%	0.435	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-12.6	-171.3	25.6	-35.4	0	0	0	114.2	H503	P500-H503 PolarHBondContact O-CE1 3.45Å
501	E	96.6	Very high	96.1	Very high	73 Å²	73	63.3 Å²	63.3	34%	0.341	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.5	9	177.9	-58.5	-172.7	130	0	0	113.4	D499 H503 F504 K593	D499-E501 PolarHBondContact O-N 2.72Å; D499-E501 PolarHBondContact OD1-N 3.24Å; E501-H503 PolarHBondContact O-N 2.99Å; E501-H503 VanDerWaalsContact O-N 3.1Å; E501-F504 PolarHBondContact O-N 3.1Å; E501-K593 HydrophobicContact CB-CD 4.33Å; E501-K593 WeakPolarHBondContact OE2-CD 3.38Å; E501-K593 WeakPolarHBondContact OE2-CE 3.44Å; E501-K593 IonicContact OE2-NZ 2.71Å; E501-K593 PolarHBondContact OE2-NZ 2.75Å
502	C	97.1	Very high	96.2	Very high	13 Å²	13	59.3 Å²	59.3	9%	0.088	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-59.2	-27.5	-176.2	70.4	0	0	0	0	113.5	D499 F504 E505 T506	D499-C502 HydrophobicContact CB-CB 4.16Å; D499-C502 WeakPolarHBondContact O-CB 3.31Å; D499-C502 PolarHBondContact O-N 3.4Å; D499-C502 VanDerWaalsContact O-N 3.08Å; D499-C502 PolarHBondContact O-SG 3.02Å; C502-F504 VanDerWaalsContact C-N 3.26Å; C502-F504 PolarHBondContact O-N 3.32Å; C502-E505 CarbonylContact O-C 3.6Å; C502-E505 WeakPolarHBondContact O-CA 3.44Å; C502-E505 PolarHBondContact O-N 3.36Å; C502-T506 PolarHBondContact O-N 3.25Å; C502-T506 PolarHBondContact O-OG1 3.48Å
503	H	97.7	Very high	96.2	Very high	8 Å²	8	58.9 Å²	58.9	4%	0.037	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-64.6	-28	176.9	51.7	-89.4	0	0	0	112.5	V490 C493 P500 E501 E505 Y508	V490-H503 HydrophobicContact CG1-CB 4.46Å; V490-H503 WeakPolarHBondContact CG1-O 3.49Å; V490-H503 PolarHBondContact O-CD2 3.46Å; C493-H503 HydrophobicContact CB-CB 3.86Å; P500-H503 PolarHBondContact O-CE1 3.45Å; E501-H503 PolarHBondContact O-N 2.99Å; E501-H503 VanDerWaalsContact O-N 3.1Å; H503-E505 VanDerWaalsContact C-N 3.26Å; H503-E505 PolarHBondContact O-N 3.31Å; H503-Y508 WeakPolarHBondContact CA-OH 3.28Å; H503-Y508 WeakPolarHBondContact CB-OH 3.37Å; H503-Y508 VanDerWaalsContact O-CE2 3.27Å; H503-Y508 WeakPolarHBondContact O-CE2 3.27Å; H503-Y508 PolarHBondContact O-OH 3.48Å
504	F	98.6	Very high	96.2	Very high	9 Å²	9	57.1 Å²	57.1	4%	0.039	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-81.6	-6.2	171.6	-70.1	-70.8	0	0	0	113.4	Y487 V490 R491 E501 C502 P591 L592 K593 W621 H632	Y487-F504 AromaticContact CD2-CE1 3.69Å; Y487-F504 HydrophobicContact CD2-CE1 3.69Å; Y487-F504 HydrophobicContact CD2-CZ 4.23Å; Y487-F504 HydrophobicContact CE2-CD1 4.38Å; Y487-F504 AromaticContact CE2-CE1 3.39Å; Y487-F504 HydrophobicContact CE2-CE1 3.39Å; Y487-F504 AromaticContact CE2-CZ 3.63Å; Y487-F504 HydrophobicContact CE2-CZ 3.63Å; Y487-F504 AromaticContact CZ-CZ 3.95Å; V490-F504 HydrophobicContact CB-CD1 4.47Å; V490-F504 HydrophobicContact CB-CE1 4.16Å; V490-F504 HydrophobicContact CG1-CD1 3.52Å; V490-F504 HydrophobicContact CG1-CE1 3.62Å; V490-F504 HydrophobicContact CG1-CG 4.14Å; V490-F504 HydrophobicContact CG1-CZ 4.33Å; R491-F504 HydrophobicContact CB-CE2 4.46Å; R491-F504 HydrophobicContact CB-CZ 3.87Å; R491-F504 HydrophobicContact CG-CZ 4.28Å; E501-F504 PolarHBondContact O-N 3.1Å; C502-F504 VanDerWaalsContact C-N 3.26Å; C502-F504 PolarHBondContact O-N 3.32Å; F504-P591 HydrophobicContact CD1-CB 4.17Å; F504-L592 WeakPolarHBondContact CD1-O 3.35Å; F504-K593 HydrophobicContact CB-CB 4.23Å; F504-K593 HydrophobicContact CB-CG 3.44Å; F504-K593 VanDerWaalsContact CB-CG 3.44Å; F504-K593 HydrophobicContact CD2-CG 4.34Å; F504-K593 HydrophobicContact CG-CB 4.44Å; F504-K593 HydrophobicContact CG-CG 4.07Å; F504-W621 WeakPolarHBondContact O-CZ2 3.35Å; F504-H632 PolarHBondContact O-CD2 3.48Å
505	E	98.7	Very high	96.4	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-111.5	18.7	178.1	-62.5	-172	165.5	0	0	111.7	C502 H503 K593 W621 H632 N633 R637 S638	C502-E505 CarbonylContact O-C 3.6Å; C502-E505 WeakPolarHBondContact O-CA 3.44Å; C502-E505 PolarHBondContact O-N 3.36Å; H503-E505 VanDerWaalsContact C-N 3.26Å; H503-E505 PolarHBondContact O-N 3.31Å; E505-K593 WeakPolarHBondContact OE1-CE 3.46Å; E505-K593 IonicContact OE1-NZ 3.29Å; E505-K593 PolarHBondContact OE1-NZ 3.37Å; E505-W621 VanDerWaalsContact C-CH2 3.45Å; E505-H632 HydrophobicContact CG-CB 4.19Å; E505-N633 HydrophobicContact CB-CB 4.07Å; E505-N633 WeakPolarHBondContact O-CB 3.45Å; E505-R637 IonicContact OE1-CZ 3.79Å; E505-R637 IonicContact OE1-NE 2.7Å; E505-R637 PolarHBondContact OE1-NE 2.95Å; E505-R637 IonicContact OE1-NH2 2.77Å; E505-R637 PolarHBondContact OE1-NH2 2.91Å; E505-R637 IonicContact OE2-CZ 3.61Å; E505-R637 IonicContact OE2-NE 2.65Å; E505-R637 PolarHBondContact OE2-NE 3.27Å; E505-R637 IonicContact OE2-NH2 3.63Å; E505-S638 VanDerWaalsContact CB-CB 3.44Å; E505-S638 WeakPolarHBondContact CB-OG 3.48Å; E505-S638 PolarHBondContact OE2-OG 3.44Å
506	T	98.3	Very high	96.6	Very high	21 Å²	21	47.6 Å²	47.6	13%	0.129	23%	0.225	C	C	.	.	S	Bend	trans	-124.5	133	-179.6	-60.1	0	0	0	0	109	C502 Y508 P591 Y639	C502-T506 PolarHBondContact O-N 3.25Å; C502-T506 PolarHBondContact O-OG1 3.48Å; T506-Y508 VanDerWaalsContact O-CD2 3.31Å; T506-Y508 WeakPolarHBondContact O-CD2 3.36Å; T506-Y508 WeakPolarHBondContact O-CE2 3.41Å; T506-P591 VanDerWaalsContact O-CD 3.32Å; T506-P591 WeakPolarHBondContact O-CD 3.34Å; T506-Y639 HydrophobicContact CG2-CD2 3.78Å; T506-Y639 HydrophobicContact CG2-CE2 4.41Å; T506-Y639 HydrophobicContact CG2-CG 4.34Å
507	P	98.7	Very high	97	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.013	19%	0.191	C	C	.	.			trans	-78.8	151.3	172	31.9	-33.2	0	0	0	111.6	P317 I588 L589 F590 Y639	P317-P507 WeakPolarHBondContact CD-O 3.38Å; P317-P507 HydrophobicContact CG-CG 4.28Å; P317-P507 WeakPolarHBondContact CG-O 3.38Å; P507-I588 HydrophobicContact CB-CD1 3.79Å; P507-I588 HydrophobicContact CB-CG1 3.96Å; P507-I588 HydrophobicContact CG-CD1 4.39Å; P507-L589 CarbonylContact C-O 3.45Å; P507-L589 WeakPolarHBondContact CA-O 3.37Å; P507-F590 HydrophobicContact CB-CD1 3.89Å; P507-F590 HydrophobicContact CB-CE1 3.68Å; P507-F590 HydrophobicContact CB-CZ 4.15Å; P507-F590 HydrophobicContact CG-CE1 4.2Å; P507-Y639 HydrophobicContact CG-CD1 3.85Å; P507-Y639 HydrophobicContact CG-CE1 3.68Å; P507-Y639 HydrophobicContact CG-CE2 4.44Å; P507-Y639 HydrophobicContact CG-CG 4.3Å
508	Y	98.9	Very high	97.1	Very high	18 Å²	18	31 Å²	31	7%	0.071	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	132.9	179.8	-62.7	-87.2	0	0	0	111.3	L314 Q315 V490 H503 T506 I588 L589 P591	L314-Y508 HydrophobicContact CB-CD1 3.88Å; L314-Y508 HydrophobicContact CB-CE1 4.5Å; L314-Y508 HydrophobicContact CB-CG 4.25Å; L314-Y508 HydrophobicContact CD2-CG 4.17Å; Q315-Y508 CarbonylContact O-C 3.38Å; Q315-Y508 VanDerWaalsContact O-CA 3.31Å; Q315-Y508 WeakPolarHBondContact O-CA 3.38Å; V490-Y508 HydrophobicContact CG1-CE2 4.17Å; V490-Y508 HydrophobicContact CG2-CD2 4.25Å; V490-Y508 HydrophobicContact CG2-CE2 4.13Å; H503-Y508 WeakPolarHBondContact CA-OH 3.28Å; H503-Y508 WeakPolarHBondContact CB-OH 3.37Å; H503-Y508 VanDerWaalsContact O-CE2 3.27Å; H503-Y508 WeakPolarHBondContact O-CE2 3.27Å; H503-Y508 PolarHBondContact O-OH 3.48Å; T506-Y508 VanDerWaalsContact O-CD2 3.31Å; T506-Y508 WeakPolarHBondContact O-CD2 3.36Å; T506-Y508 WeakPolarHBondContact O-CE2 3.41Å; Y508-I588 CarbonylContact O-C 3.59Å; Y508-I588 VanDerWaalsContact O-CA 3.27Å; Y508-I588 WeakPolarHBondContact O-CA 3.44Å; Y508-I588 WeakPolarHBondContact O-CG1 3.28Å; Y508-L589 PolarHBondContact N-O 3.47Å; Y508-L589 PolarHBondContact O-N 3.1Å; Y508-P591 HydrophobicContact CD2-CG 4.49Å; Y508-P591 HydrophobicContact CE2-CG 4.31Å
509	V	98.7	Very high	97.2	Very high	21 Å²	21	26.4 Å²	26.4	13%	0.127	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	128.2	162.8	174.7	0	0	0	0	107.6	Q315 P317 F586	Q315-V509 HydrophobicContact CB-CB 4.34Å; Q315-V509 WeakPolarHBondContact CB-O 3.27Å; Q315-V509 PolarHBondContact N-O 2.97Å; Q315-V509 PolarHBondContact O-N 3.21Å; P317-V509 HydrophobicContact CB-CG2 3.95Å; P317-V509 HydrophobicContact CG-CG2 4.09Å; V509-F586 HydrophobicContact CG1-CB 3.88Å
510	V	98.4	Very high	97.3	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.143	C	C	.	.			trans	-153.6	133.6	-176.2	55.8	0	0	0	0	111.3	L314 L486 L512 P587 L589	L314-V510 HydrophobicContact CD2-CB 4.06Å; L314-V510 HydrophobicContact CD2-CG1 4.4Å; L314-V510 HydrophobicContact CD2-CG2 4.07Å; L486-V510 HydrophobicContact CD2-CG2 3.99Å; V510-L512 VanDerWaalsContact C-N 3.3Å; V510-L512 HydrophobicContact CG1-CD2 3.57Å; V510-L512 HydrophobicContact CG1-CG 4.09Å; V510-L512 HydrophobicContact CG2-CD2 4.44Å; V510-L512 PolarHBondContact O-N 3.27Å; V510-P587 PolarHBondContact N-O 3.49Å; V510-P587 WeakPolarHBondContact O-CD 3.29Å; V510-L589 HydrophobicContact CG1-CB 3.65Å; V510-L589 HydrophobicContact CG1-CD2 4.46Å
511	R	97.7	Very high	97.5	Very high	48 Å²	48	25.7 Å²	25.7	18%	0.181	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-74.3	87.3	167.6	176.1	69	-163.9	93.5	8.2	108.8	Y303 A307 Y310 D312 H513 F586	Y303-R511 VanDerWaalsContact OH-CD 3.29Å; Y303-R511 WeakPolarHBondContact OH-CD 3.36Å; A307-R511 HydrophobicContact CB-CG 4.01Å; Y310-R511 WeakPolarHBondContact O-CB 3.46Å; D312-R511 PolarHBondContact N-O 3.26Å; R511-H513 PolarHBondContact O-N 3.29Å; R511-H513 VanDerWaalsContact O-N 3.15Å; R511-F586 HydrophobicContact CB-CD1 3.95Å; R511-F586 HydrophobicContact CB-CD2 3.94Å; R511-F586 HydrophobicContact CB-CE1 4.11Å; R511-F586 HydrophobicContact CB-CE2 4.1Å; R511-F586 HydrophobicContact CB-CG 3.88Å; R511-F586 HydrophobicContact CB-CZ 4.19Å; R511-F586 HydrophobicContact CG-CD1 4.35Å; R511-F586 HydrophobicContact CG-CE1 4.28Å
512	L	97.9	Very high	97.6	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.01	13%	0.127	C	C	.	.			trans	-56.2	115.8	178.9	-62.4	173.7	0	0	0	111.2	L481 L486 V510 F515 A558 P587	L481-L512 HydrophobicContact CD2-CD1 4.19Å; L481-L512 HydrophobicContact CD2-CD2 4.27Å; L486-L512 HydrophobicContact CD1-CD2 3.39Å; V510-L512 VanDerWaalsContact C-N 3.3Å; V510-L512 HydrophobicContact CG1-CD2 3.57Å; V510-L512 HydrophobicContact CG1-CG 4.09Å; V510-L512 HydrophobicContact CG2-CD2 4.44Å; V510-L512 PolarHBondContact O-N 3.27Å; L512-F515 HydrophobicContact CB-CD1 3.71Å; L512-F515 HydrophobicContact CB-CE1 3.59Å; L512-F515 HydrophobicContact CB-CE2 4.49Å; L512-F515 HydrophobicContact CB-CG 4.23Å; L512-F515 HydrophobicContact CB-CZ 4.01Å; L512-F515 HydrophobicContact CD1-CE2 4.31Å; L512-F515 HydrophobicContact CD1-CZ 4.42Å; L512-F515 WeakPolarHBondContact O-CE1 3.44Å; L512-A558 HydrophobicContact CD1-CB 3.51Å; L512-P587 HydrophobicContact CD1-CB 3.84Å; L512-P587 HydrophobicContact CD1-CG 4.25Å; L512-P587 HydrophobicContact CG-CB 4.22Å; L512-P587 HydrophobicContact CG-CG 4.47Å
513	H	96.4	Very high	97.7	Very high	52 Å²	52	28.8 Å²	28.8	24%	0.241	14%	0.143	C	C	.	.			trans	-125.9	-58.4	-173.6	-174.9	65.9	0	0	0	112.4	K265 E311 D312 R511 F515	K265-H513 PolarHBondContact O-NE2 3.09Å; E311-H513 HydrophobicContact CB-CB 3.76Å; E311-H513 HydrophobicContact CG-CB 4.11Å; D312-H513 PolarHBondContact OD1-N 2.72Å; R511-H513 PolarHBondContact O-N 3.29Å; R511-H513 VanDerWaalsContact O-N 3.15Å; H513-F515 PolarHBondContact O-N 3.04Å
514	N	97.3	Very high	97.7	Very high	8 Å²	8	29 Å²	29	4%	0.043	15%	0.145	C	C	.	.	S	Bend	trans	-95.8	85.8	174.1	-170.8	18.6	0	0	0	110	G229 E230 L266 D312 S483 K485	G229-N514 WeakPolarHBondContact CA-O 3.35Å; G229-N514 VanDerWaalsContact CA-OD1 3.3Å; G229-N514 WeakPolarHBondContact CA-OD1 3.44Å; G229-N514 PolarHBondContact N-OD1 3.27Å; E230-N514 PolarHBondContact O-ND2 2.85Å; L266-N514 HydrophobicContact CD2-CB 3.84Å; D312-N514 PolarHBondContact OD1-N 2.71Å; D312-N514 VanDerWaalsContact OD2-CB 3.32Å; D312-N514 WeakPolarHBondContact OD2-CB 3.35Å; D312-N514 PolarHBondContact OD2-N 2.77Å; S483-N514 WeakPolarHBondContact CB-O 3.36Å; S483-N514 PolarHBondContact OG-O 3.04Å; K485-N514 HydrophobicContact CD-CB 3.79Å
515	F	97.6	Very high	97.7	Very high	43 Å²	43	28.7 Å²	28.7	19%	0.189	14%	0.144	C	C	.	.			trans	-155.1	162.8	178.7	79	-68.1	0	0	0	111.3	L481 S482 L486 L512 H513 Q517	L481-F515 HydrophobicContact CB-CD2 4.08Å; L481-F515 HydrophobicContact CD2-CD2 4.47Å; S482-F515 WeakPolarHBondContact O-CA 3.35Å; L486-F515 HydrophobicContact CD1-CB 4.5Å; L512-F515 HydrophobicContact CB-CD1 3.71Å; L512-F515 HydrophobicContact CB-CE1 3.59Å; L512-F515 HydrophobicContact CB-CE2 4.49Å; L512-F515 HydrophobicContact CB-CG 4.23Å; L512-F515 HydrophobicContact CB-CZ 4.01Å; L512-F515 HydrophobicContact CD1-CE2 4.31Å; L512-F515 HydrophobicContact CD1-CZ 4.42Å; L512-F515 WeakPolarHBondContact O-CE1 3.44Å; H513-F515 PolarHBondContact O-N 3.04Å; F515-Q517 HydrophobicContact CE2-CB 3.97Å
516	H	96	Very high	97.7	Very high	28 Å²	28	32 Å²	32	13%	0.13	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	119.2	168.7	-171.8	-179.5	0	0	0	108.8	D225 L228 L481 S482 L518	D225-H516 PolarHBondContact O-ND1 2.84Å; L228-H516 HydrophobicContact CB-CB 3.88Å; L481-H516 CarbonylContact C-O 3.58Å; L481-H516 VanDerWaalsContact CA-O 3.28Å; L481-H516 WeakPolarHBondContact CA-O 3.43Å; S482-H516 PolarHBondContact N-O 3Å; S482-H516 PolarHBondContact O-N 2.89Å; H516-L518 HydrophobicContact CB-CD2 4.39Å; H516-L518 PolarHBondContact O-N 3.1Å
517	Q	96.1	Very high	97.7	Very high	44 Å²	44	31.2 Å²	31.2	21%	0.206	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	116.4	167.7	-175.8	175.3	-74.6	0	0	108.9	A479 F515 A519 Y560	A479-Q517 HydrophobicContact CB-CG 3.99Å; F515-Q517 HydrophobicContact CE2-CB 3.97Å; Q517-A519 VanDerWaalsContact CG-O 3.26Å; Q517-A519 WeakPolarHBondContact CG-O 3.32Å; Q517-Y560 PolarHBondContact OE1-OH 3.32Å
518	L	95.2	Very high	97.7	Very high	9 Å²	9	35.1 Å²	35.1	5%	0.047	18%	0.183	C	C	.	.			trans	-83.8	-20	-170.8	-57.7	178.4	0	0	0	113.6	P480 H516 V548 S552 L554 I604	P480-L518 HydrophobicContact CB-CB 4.32Å; P480-L518 HydrophobicContact CG-CB 4.14Å; P480-L518 PolarHBondContact O-N 3.49Å; H516-L518 HydrophobicContact CB-CD2 4.39Å; H516-L518 PolarHBondContact O-N 3.1Å; L518-V548 HydrophobicContact CB-CG1 4.16Å; L518-V548 HydrophobicContact CB-CG2 4.22Å; L518-S552 WeakPolarHBondContact CD2-OG 3.49Å; L518-L554 HydrophobicContact CD1-CD1 4.26Å; L518-I604 HydrophobicContact CD1-CD1 4.38Å
519	A	96	Very high	97.7	Very high	17 Å²	17	34.7 Å²	34.7	14%	0.14	18%	0.181	C	C	.	.	S	Bend	trans	-158.1	159.9	176.5	0	0	0	0	0	110.4	P480 Q517 F546	P480-A519 HydrophobicContact CG-CB 3.81Å; Q517-A519 VanDerWaalsContact CG-O 3.26Å; Q517-A519 WeakPolarHBondContact CG-O 3.32Å; A519-F546 HydrophobicContact CB-CB 3.79Å; A519-F546 HydrophobicContact CB-CD1 3.87Å; A519-F546 HydrophobicContact CB-CG 4.25Å
520	E	97.1	Very high	97.6	Very high	113 Å²	113	36.5 Å²	36.5	53%	0.528	19%	0.193	S	C	.	.			trans	-61	143.7	179.1	-69.5	-55	142.6	0	0	113.2	K522 F546	E520-K522 PolarHBondContact O-N 2.75Å; E520-F546 WeakPolarHBondContact O-CE1 3.28Å
521	P	98.6	Very high	97.3	Very high	11 Å²	11	37.3 Å²	37.3	7%	0.071	20%	0.198	C	C	.	.			trans	-62.5	133.3	-179.9	-17.7	29	0	0	0	112.2	Y477 L478 A479 Y560 K574	Y477-P521 HydrophobicContact CD1-CB 4.49Å; L478-P521 CarbonylContact O-C 3.58Å; L478-P521 VanDerWaalsContact O-CA 3.28Å; L478-P521 WeakPolarHBondContact O-CA 3.32Å; A479-P521 HydrophobicContact CB-CB 4.08Å; A479-P521 HydrophobicContact CB-CG 3.95Å; P521-Y560 HydrophobicContact CB-CD2 4.21Å; P521-Y560 HydrophobicContact CB-CE2 4.38Å; P521-Y560 HydrophobicContact CG-CD2 4.26Å; P521-Y560 HydrophobicContact CG-CE2 4.05Å; P521-K574 HydrophobicContact CG-CG 4.42Å
522	K	98.8	Very high	96.7	Very high	85 Å²	85	42.1 Å²	42.1	37%	0.37	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	143.9	176.3	-68.6	-175.1	-177	-165.5	0	111.5	Y477 L478 E520 L544 R545 F546	Y477-K522 CarbonylContact C-O 3.59Å; Y477-K522 VanDerWaalsContact CA-O 3.27Å; Y477-K522 WeakPolarHBondContact CA-O 3.44Å; Y477-K522 VanDerWaalsContact CD1-C 3.48Å; L478-K522 PolarHBondContact N-O 3.48Å; L478-K522 PolarHBondContact O-N 2.73Å; E520-K522 PolarHBondContact O-N 2.75Å; K522-L544 HydrophobicContact CB-CD1 4.36Å; K522-L544 HydrophobicContact CB-CD2 4.31Å; K522-R545 WeakPolarHBondContact CD-O 3.39Å; K522-R545 WeakPolarHBondContact CE-O 3.17Å; K522-R545 PolarHBondContact NZ-O 3.01Å; K522-F546 HydrophobicContact CB-CE1 3.73Å; K522-F546 HydrophobicContact CB-CZ 3.97Å; K522-F546 HydrophobicContact CD-CD1 3.9Å; K522-F546 HydrophobicContact CD-CE1 3.74Å; K522-F546 HydrophobicContact CD-CZ 4.32Å; K522-F546 HydrophobicContact CG-CD1 4.09Å; K522-F546 HydrophobicContact CG-CE1 3.56Å; K522-F546 HydrophobicContact CG-CZ 4.25Å
523	P	98.8	Very high	95.7	Very high	65 Å²	65	47.9 Å²	47.9	42%	0.422	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	136.3	-179.8	27.1	-34.4	0	0	0	110.8	T475 S476 Y477 L544	T475-P523 HydrophobicContact CG2-CB 3.67Å; S476-P523 CarbonylContact O-C 3.49Å; S476-P523 WeakPolarHBondContact O-CA 3.37Å; Y477-P523 HydrophobicContact CD1-CB 4.09Å; Y477-P523 HydrophobicContact CE1-CB 3.74Å; Y477-P523 HydrophobicContact CE1-CG 4.29Å; P523-L544 VanDerWaalsContact O-CD2 3.32Å; P523-L544 WeakPolarHBondContact O-CD2 3.46Å
524	C	98.8	Very high	94.7	Very high	12 Å²	12	50.2 Å²	50.2	8%	0.081	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	-75.8	-177.7	-171.3	0	0	0	0	111.3	F446 S476 L478 L544	F446-C524 HydrophobicContact CZ-CB 4.32Å; S476-C524 PolarHBondContact O-N 3.17Å; L478-C524 HydrophobicContact CD1-CB 4.14Å; L478-C524 HydrophobicContact CG-CB 4.32Å; C524-L544 HydrophobicContact CB-CD1 4.25Å
525	F	98.8	Very high	93.8	Very high	4 Å²	4	53.9 Å²	53.9	2%	0.018	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	139.3	-178.4	-54	-40.9	0	0	0	111.5	F446 T475 S476 F527 R540 Q542 F608 R610 Y619	F446-F525 HydrophobicContact CE1-CD2 4.39Å; T475-F525 CarbonylContact C-O 3.49Å; T475-F525 VanDerWaalsContact CA-O 3.25Å; T475-F525 WeakPolarHBondContact CA-O 3.29Å; S476-F525 PolarHBondContact N-O 3.08Å; S476-F525 PolarHBondContact OG-N 3.03Å; S476-F525 PolarHBondContact OG-O 3.06Å; F525-F527 HydrophobicContact CB-CE2 3.96Å; F525-R540 HydrophobicContact CB-CG 4.3Å; F525-R540 HydrophobicContact CD1-CB 3.37Å; F525-R540 HydrophobicContact CD1-CG 3.93Å; F525-R540 HydrophobicContact CD2-CB 4.41Å; F525-R540 HydrophobicContact CE1-CB 3.42Å; F525-R540 VanDerWaalsContact CE1-CB 3.42Å; F525-R540 HydrophobicContact CE1-CG 4.45Å; F525-R540 HydrophobicContact CE2-CB 4.46Å; F525-R540 HydrophobicContact CG-CB 3.9Å; F525-R540 HydrophobicContact CG-CG 4.08Å; F525-R540 HydrophobicContact CZ-CB 3.98Å; F525-Q542 HydrophobicContact CD1-CB 4.37Å; F525-Q542 HydrophobicContact CE1-CB 3.85Å; F525-F608 HydrophobicContact CZ-CB 3.92Å; F525-R610 HydrophobicContact CD2-CB 4.27Å; F525-R610 HydrophobicContact CE2-CB 3.84Å; F525-R610 HydrophobicContact CZ-CB 4.23Å; F525-Y619 HydrophobicContact CD2-CE1 4.45Å; F525-Y619 HydrophobicContact CE2-CD1 4.19Å; F525-Y619 HydrophobicContact CE2-CE1 4.21Å
526	T	98.6	Very high	93	Very high	68 Å²	68	56.3 Å²	56.3	42%	0.417	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	139.9	177.4	-57.1	0	0	0	0	110.5	Y474 T475	Y474-T526 VanDerWaalsContact O-CA 3.32Å; Y474-T526 WeakPolarHBondContact O-CA 3.35Å; T475-T526 WeakPolarHBondContact CG2-OG1 3.37Å; T475-T526 WeakPolarHBondContact OG1-CG2 3.41Å; T475-T526 PolarHBondContact OG1-OG1 2.82Å
527	F	98.3	Very high	92.8	Very high	6 Å²	6	60 Å²	60	3%	0.026	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	145.8	173.3	-60.7	-94.7	0	0	0	109.5	D448 P453 S473 Y474 F525 N538 R540	D448-F527 HydrophobicContact CB-CD2 3.96Å; D448-F527 HydrophobicContact CB-CE2 3.58Å; D448-F527 HydrophobicContact CB-CZ 4.26Å; P453-F527 HydrophobicContact CB-CD1 3.66Å; P453-F527 HydrophobicContact CB-CE1 3.82Å; P453-F527 HydrophobicContact CB-CG 4.31Å; P453-F527 HydrophobicContact CG-CB 4.46Å; P453-F527 HydrophobicContact CG-CD1 3.52Å; P453-F527 HydrophobicContact CG-CD2 4.05Å; P453-F527 HydrophobicContact CG-CE1 3.64Å; P453-F527 HydrophobicContact CG-CE2 4.17Å; P453-F527 HydrophobicContact CG-CG 3.74Å; P453-F527 HydrophobicContact CG-CZ 3.98Å; S473-F527 WeakPolarHBondContact CA-O 2.83Å; S473-F527 VanDerWaalsContact CB-O 3.25Å; S473-F527 WeakPolarHBondContact CB-O 3.29Å; Y474-F527 HydrophobicContact CD2-CB 4.13Å; Y474-F527 HydrophobicContact CD2-CD2 4.13Å; Y474-F527 HydrophobicContact CE2-CB 3.53Å; Y474-F527 AromaticContact CE2-CD2 3.63Å; Y474-F527 HydrophobicContact CE2-CD2 3.63Å; Y474-F527 AromaticContact CE2-CG 3.84Å; Y474-F527 HydrophobicContact CE2-CG 3.84Å; Y474-F527 PolarHBondContact N-O 2.99Å; Y474-F527 VanDerWaalsContact N-O 3.07Å; Y474-F527 PolarHBondContact O-N 2.97Å; F525-F527 HydrophobicContact CB-CE2 3.96Å; F527-N538 HydrophobicContact CE1-CB 4.09Å; F527-R540 VanDerWaalsContact CE1-NH2 3.26Å; F527-R540 HydrophobicContact CZ-CG 4.02Å
528	T	98.2	Very high	92.9	Very high	84 Å²	84	58.5 Å²	58.5	52%	0.515	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	136.5	-178.1	-59.4	0	0	0	0	109	C472 P530 T531	C472-T528 CarbonylContact O-C 3.47Å; C472-T528 WeakPolarHBondContact O-CA 3.44Å; T528-P530 CarbonylContact O-C 3.6Å; T528-T531 PolarHBondContact O-N 3.32Å; T528-T531 PolarHBondContact O-OG1 3.07Å
529	H	97.9	Very high	93	Very high	8 Å²	8	61.2 Å²	61.2	4%	0.037	34%	0.339	C	S	.	.	S	Bend	trans	-125.3	131.4	-174.7	-62.9	-69.3	0	0	0	110.4	L456 S469 C472 Y474	L456-H529 HydrophobicContact CD1-CB 4.42Å; S469-H529 VanDerWaalsContact CB-CB 3.49Å; S469-H529 WeakPolarHBondContact OG-CB 3.31Å; C472-H529 PolarHBondContact O-N 3.18Å; Y474-H529 AromaticContact CE1-CD2 3.55Å; Y474-H529 AromaticContact CE1-NE2 3.4Å; Y474-H529 WeakPolarHBondContact CE1-NE2 3.47Å; Y474-H529 AromaticContact CZ-NE2 3.39Å; Y474-H529 PolarHBondContact OH-NE2 3.32Å
530	P	96.8	Very high	93.1	Very high	60 Å²	60	63.5 Å²	63.5	39%	0.39	34%	0.344	S	S	.	.	S	Bend	cis	-66.9	144.9	-3.7	27.6	-33.8	0	0	0	113.1	Q460 L463 T528	Q460-P530 HydrophobicContact CG-CB 4.17Å; Q460-P530 VanDerWaalsContact OE1-CA 3.27Å; Q460-P530 VanDerWaalsContact OE1-CB 3.22Å; L463-P530 HydrophobicContact CD2-CB 4.08Å; L463-P530 HydrophobicContact CD2-CG 4.22Å; T528-P530 CarbonylContact O-C 3.6Å
531	T	91.9	Very high	93.2	Very high	16 Å²	16	63.4 Å²	63.4	10%	0.098	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-71	130.6	175.9	-55.3	0	0	0	0	110.1	D457 Q460 T528 D535 M536	D457-T531 VanDerWaalsContact OD1-CB 3.28Å; D457-T531 WeakPolarHBondContact OD1-CB 3.5Å; D457-T531 PolarHBondContact OD1-OG1 3.04Å; Q460-T531 PolarHBondContact NE2-O 3.46Å; Q460-T531 PolarHBondContact OE1-O 2.96Å; T528-T531 PolarHBondContact O-N 3.32Å; T528-T531 PolarHBondContact O-OG1 3.07Å; T531-D535 HydrophobicContact CG2-CB 4.27Å; T531-M536 HydrophobicContact CG2-CG 4.32Å
532	K	86.3	Confident	93.2	Very high	149 Å²	149	66.4 Å²	66.4	65%	0.648	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-66.3	143.1	173.1	-65.7	177.9	-176.2	172.8	0	109.6	S534 D535	K532-S534 PolarHBondContact O-N 3.4Å; K532-D535 HydrophobicContact CB-CB 4.47Å; K532-D535 PolarHBondContact O-N 3.23Å
533	V	76	Confident	93.2	Very high	123 Å²	123	64.3 Å²	64.3	75%	0.745	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-55.1	-31.1	-179.5	-180	0	0	0	0	112.6	D535	V533-D535 PolarHBondContact O-N 3.44Å
534	S	75.5	Confident	93.2	Very high	101 Å²	101	61.8 Å²	61.8	71%	0.706	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-67.3	-17.8	175.5	57.6	0	0	0	0	114.7	K532	K532-S534 PolarHBondContact O-N 3.4Å
535	D	78.6	Confident	93.2	Very high	86 Å²	86	65.9 Å²	65.9	46%	0.46	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-118.5	11.6	-163.4	-59.6	-8.4	0	0	0	113	T531 K532 V533 N537	T531-D535 HydrophobicContact CG2-CB 4.27Å; K532-D535 HydrophobicContact CB-CB 4.47Å; K532-D535 PolarHBondContact O-N 3.23Å; V533-D535 PolarHBondContact O-N 3.44Å; D535-N537 PolarHBondContact O-N 2.99Å
536	M	81.1	Confident	93.1	Very high	93 Å²	93	65.7 Å²	65.7	46%	0.458	34%	0.344	S	S	.	.			trans	-65.8	0.8	-177	-71.1	-138.6	-166.1	0	0	115.8	T531 N538	T531-M536 HydrophobicContact CG2-CG 4.32Å; M536-N538 PolarHBondContact O-N 2.86Å
537	N	92.9	Very high	93	Very high	107 Å²	107	66.4 Å²	66.4	57%	0.572	35%	0.352	S	S	*	.			trans	-83.9	111.1	172.1	-178.9	-2.4	0	0	0	109	D535 N539 R540	D535-N537 PolarHBondContact O-N 2.99Å; N537-N539 VanDerWaalsContact OD1-CB 3.31Å; N537-N539 WeakPolarHBondContact OD1-CB 3.22Å; N537-N539 PolarHBondContact OD1-N 3.37Å; N537-R540 PolarHBondContact O-NH1 2.8Å
538	N	96.7	Very high	92.6	Very high	11 Å²	11	66.5 Å²	66.5	6%	0.059	35%	0.353	C	S	.	.			trans	-85.8	3	179.3	-68.7	-33.1	0	0	0	115.2	P453 E454 D457 F527 M536 R540 R610	P453-N538 HydrophobicContact CB-CB 4.42Å; E454-N538 WeakPolarHBondContact OE1-CB 3.46Å; D457-N538 PolarHBondContact OD2-ND2 3.33Å; F527-N538 HydrophobicContact CE1-CB 4.09Å; M536-N538 PolarHBondContact O-N 2.86Å; N538-R540 VanDerWaalsContact C-NH1 3.3Å; N538-R610 WeakPolarHBondContact O-CD 3.47Å; N538-R610 PolarHBondContact O-NH1 2.99Å
539	N	97.9	Very high	92	Very high	66 Å²	66	68.5 Å²	68.5	35%	0.353	36%	0.36	S	S	.	.			trans	-69.8	142.3	170.7	-69	-18.8	0	0	0	110.3	N537 R610 N612	N537-N539 VanDerWaalsContact OD1-CB 3.31Å; N537-N539 WeakPolarHBondContact OD1-CB 3.22Å; N537-N539 PolarHBondContact OD1-N 3.37Å; N539-R610 VanDerWaalsContact CA-O 3.25Å; N539-R610 WeakPolarHBondContact CA-O 3.39Å; N539-N612 VanDerWaalsContact OD1-CB 3.24Å; N539-N612 WeakPolarHBondContact OD1-CB 3.42Å; N539-N612 PolarHBondContact OD1-N 3.15Å
540	R	98.1	Very high	91.4	Very high	66 Å²	66	68.6 Å²	68.6	25%	0.249	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	153	-178.4	-59.6	-73.5	178.5	-84.1	-0.3	110.6	F525 F527 N537 N538 W609 R610	F525-R540 HydrophobicContact CB-CG 4.3Å; F525-R540 HydrophobicContact CD1-CB 3.37Å; F525-R540 HydrophobicContact CD1-CG 3.93Å; F525-R540 HydrophobicContact CD2-CB 4.41Å; F525-R540 HydrophobicContact CE1-CB 3.42Å; F525-R540 VanDerWaalsContact CE1-CB 3.42Å; F525-R540 HydrophobicContact CE1-CG 4.45Å; F525-R540 HydrophobicContact CE2-CB 4.46Å; F525-R540 HydrophobicContact CG-CB 3.9Å; F525-R540 HydrophobicContact CG-CG 4.08Å; F525-R540 HydrophobicContact CZ-CB 3.98Å; F527-R540 VanDerWaalsContact CE1-NH2 3.26Å; F527-R540 HydrophobicContact CZ-CG 4.02Å; N537-R540 PolarHBondContact O-NH1 2.8Å; N538-R540 VanDerWaalsContact C-NH1 3.3Å; R540-W609 CarbonylContact O-C 3.55Å; R540-W609 VanDerWaalsContact O-CA 3.32Å; R540-W609 WeakPolarHBondContact O-CA 3.47Å; R540-R610 HydrophobicContact CB-CB 3.98Å; R540-R610 HydrophobicContact CG-CB 4.43Å; R540-R610 PolarHBondContact N-O 3.21Å; R540-R610 PolarHBondContact O-N 2.86Å
541	Y	98.6	Very high	91	Very high	110 Å²	110	68.5 Å²	68.5	43%	0.431	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	135.7	168.8	166.9	-116.5	0	0	0	108.7	R607 F608 W609	Y541-R607 HydrophobicContact CE2-CB 4.17Å; Y541-R607 WeakPolarHBondContact OH-CD 3.46Å; Y541-R607 PolarHBondContact OH-NH1 3.32Å; Y541-F608 CarbonylContact C-O 3.58Å; Y541-F608 WeakPolarHBondContact CA-O 3.08Å; Y541-W609 AromaticContact CD2-CD1 3.47Å; Y541-W609 VanDerWaalsContact CD2-CD1 3.47Å; Y541-W609 AromaticContact CD2-CD2 3.94Å; Y541-W609 HydrophobicContact CD2-CD2 3.94Å; Y541-W609 AromaticContact CD2-CE2 3.41Å; Y541-W609 VanDerWaalsContact CD2-CE2 3.41Å; Y541-W609 AromaticContact CD2-CG 3.99Å; Y541-W609 HydrophobicContact CD2-CG 3.99Å; Y541-W609 AromaticContact CD2-CZ2 3.99Å; Y541-W609 HydrophobicContact CD2-CZ2 3.99Å; Y541-W609 AromaticContact CD2-NE1 3.08Å; Y541-W609 HydrophobicContact CE2-CD2 4.24Å; Y541-W609 AromaticContact CE2-CE2 3.45Å; Y541-W609 VanDerWaalsContact CE2-CE2 3.45Å; Y541-W609 HydrophobicContact CE2-CH2 4.34Å; Y541-W609 AromaticContact CE2-CZ2 3.51Å; Y541-W609 HydrophobicContact CE2-CZ2 3.51Å; Y541-W609 AromaticContact CE2-NE1 3.52Å; Y541-W609 AromaticContact CG-NE1 3.85Å
542	Q	98.6	Very high	91	Very high	74 Å²	74	68.1 Å²	68.1	35%	0.346	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	145	173.8	-172.6	61.8	-19.4	0	0	112	F525 L544 R607 F608	F525-Q542 HydrophobicContact CD1-CB 4.37Å; F525-Q542 HydrophobicContact CE1-CB 3.85Å; Q542-L544 HydrophobicContact CG-CD2 3.51Å; Q542-L544 HydrophobicContact CG-CG 3.86Å; Q542-R607 WeakPolarHBondContact O-CA 3.28Å; Q542-F608 PolarHBondContact N-O 3.17Å; Q542-F608 PolarHBondContact O-N 3.12Å
543	C	98.7	Very high	91.4	Very high	41 Å²	41	61.1 Å²	61.1	28%	0.277	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	115.5	168.4	178.8	0	0	0	0	108.6	V606 R607	C543-V606 CarbonylContact C-O 3.45Å; C543-V606 WeakPolarHBondContact CA-O 3.32Å; C543-R607 VanDerWaalsContact SG-CD 3.52Å; C543-R607 PolarHBondContact SG-NE 2.75Å
544	L	98.7	Very high	92.5	Very high	12 Å²	12	55.2 Å²	55.2	6%	0.063	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131.5	176.9	-56.6	178.1	0	0	0	109.2	L478 K522 P523 C524 Q542 F546 A605 V606	L478-L544 HydrophobicContact CB-CD1 4.01Å; L478-L544 HydrophobicContact CD1-CD1 4.03Å; K522-L544 HydrophobicContact CB-CD1 4.36Å; K522-L544 HydrophobicContact CB-CD2 4.31Å; P523-L544 VanDerWaalsContact O-CD2 3.32Å; P523-L544 WeakPolarHBondContact O-CD2 3.46Å; C524-L544 HydrophobicContact CB-CD1 4.25Å; Q542-L544 HydrophobicContact CG-CD2 3.51Å; Q542-L544 HydrophobicContact CG-CG 3.86Å; L544-F546 HydrophobicContact CB-CD2 4.43Å; L544-F546 HydrophobicContact CB-CE2 3.61Å; L544-F546 HydrophobicContact CB-CZ 3.93Å; L544-F546 HydrophobicContact CD1-CE2 4.37Å; L544-F546 HydrophobicContact CD1-CZ 4.05Å; L544-A605 CarbonylContact O-C 3.55Å; L544-A605 WeakPolarHBondContact O-CA 3.31Å; L544-V606 HydrophobicContact CB-CG1 3.9Å; L544-V606 PolarHBondContact N-O 3.33Å; L544-V606 PolarHBondContact O-N 2.95Å
545	R	98.6	Very high	93.6	Very high	98 Å²	98	50.7 Å²	50.7	37%	0.37	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	132.5	173.8	-62.5	-177.6	71.6	91.3	2.1	109.4	K522 D603 I604 A605 E625	K522-R545 WeakPolarHBondContact CD-O 3.39Å; K522-R545 WeakPolarHBondContact CE-O 3.17Å; K522-R545 PolarHBondContact NZ-O 3.01Å; R545-D603 IonicContact CZ-OD2 3.04Å; R545-D603 IonicContact NE-OD2 3.26Å; R545-D603 IonicContact NH2-OD2 3.09Å; R545-D603 PolarHBondContact NH2-OD2 2.8Å; R545-I604 CarbonylContact C-O 3.51Å; R545-I604 VanDerWaalsContact CA-O 3.29Å; R545-I604 WeakPolarHBondContact CA-O 3.44Å; R545-A605 HydrophobicContact CG-CB 4.16Å; R545-E625 IonicContact CZ-OE1 3.43Å; R545-E625 IonicContact CZ-OE2 3.75Å; R545-E625 IonicContact NH1-OE1 3.41Å; R545-E625 PolarHBondContact NH1-OE1 3.12Å; R545-E625 IonicContact NH1-OE2 3.34Å; R545-E625 PolarHBondContact NH1-OE2 2.92Å; R545-E625 IonicContact NH2-OE1 3.89Å; R545-E625 IonicContact NH2-OE2 2.73Å; R545-E625 PolarHBondContact NH2-OE2 3.46Å
546	F	98.3	Very high	94.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	121.9	178.3	-58.7	-91.6	0	0	0	109.3	L478 P480 A519 E520 K522 L544 F557 D603 I604 V606	L478-F546 HydrophobicContact CB-CZ 4.43Å; L478-F546 VanDerWaalsContact O-CE1 3.31Å; L478-F546 WeakPolarHBondContact O-CE1 3.45Å; L478-F546 VanDerWaalsContact O-CZ 3.22Å; L478-F546 WeakPolarHBondContact O-CZ 3.3Å; P480-F546 HydrophobicContact CG-CB 3.91Å; P480-F546 HydrophobicContact CG-CD1 4.08Å; P480-F546 HydrophobicContact CG-CD2 4.19Å; P480-F546 HydrophobicContact CG-CG 3.82Å; A519-F546 HydrophobicContact CB-CB 3.79Å; A519-F546 HydrophobicContact CB-CD1 3.87Å; A519-F546 HydrophobicContact CB-CG 4.25Å; E520-F546 WeakPolarHBondContact O-CE1 3.28Å; K522-F546 HydrophobicContact CB-CE1 3.73Å; K522-F546 HydrophobicContact CB-CZ 3.97Å; K522-F546 HydrophobicContact CD-CD1 3.9Å; K522-F546 HydrophobicContact CD-CE1 3.74Å; K522-F546 HydrophobicContact CD-CZ 4.32Å; K522-F546 HydrophobicContact CG-CD1 4.09Å; K522-F546 HydrophobicContact CG-CE1 3.56Å; K522-F546 HydrophobicContact CG-CZ 4.25Å; L544-F546 HydrophobicContact CB-CD2 4.43Å; L544-F546 HydrophobicContact CB-CE2 3.61Å; L544-F546 HydrophobicContact CB-CZ 3.93Å; L544-F546 HydrophobicContact CD1-CE2 4.37Å; L544-F546 HydrophobicContact CD1-CZ 4.05Å; F546-F557 HydrophobicContact CE2-CE1 4.26Å; F546-D603 CarbonylContact O-C 3.42Å; F546-D603 WeakPolarHBondContact O-CA 3.38Å; F546-I604 HydrophobicContact CB-CB 4.32Å; F546-I604 PolarHBondContact N-O 3.44Å; F546-I604 PolarHBondContact O-N 2.98Å; F546-V606 HydrophobicContact CE2-CG1 3.83Å
547	S	95.9	Very high	95.4	Very high	83 Å²	83	42.2 Å²	42.2	58%	0.58	21%	0.214	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	132.5	170.4	-50.3	0	0	0	0	108.3	D603	S547-D603 WeakPolarHBondContact CA-OD1 3.46Å; S547-D603 WeakPolarHBondContact CB-OD1 3.28Å; S547-D603 PolarHBondContact OG-OD1 2.95Å
548	V	89.3	Confident	95.7	Very high	9 Å²	9	37.1 Å²	37.1	6%	0.055	19%	0.187	C	C	.	.			trans	-108.4	147.1	178	-173.5	0	0	0	0	107.5	L518 C550 I598 I604	L518-V548 HydrophobicContact CB-CG1 4.16Å; L518-V548 HydrophobicContact CB-CG2 4.22Å; V548-C550 WeakPolarHBondContact CG1-O 3.44Å; V548-I598 HydrophobicContact CB-CG2 4.03Å; V548-I598 HydrophobicContact CG1-CG2 4.12Å; V548-I598 HydrophobicContact CG2-CG2 4.08Å; V548-I604 HydrophobicContact CG2-CD1 3.51Å; V548-I604 HydrophobicContact CG2-CG1 4.02Å
549	D	85.3	Confident	95.8	Very high	125 Å²	125	36.6 Å²	36.6	67%	0.668	18%	0.184	S	C	*	.	S	Bend	trans	-106.8	12.4	-178.2	64.3	-6.9	0	0	0	112.8	R600	D549-R600 WeakPolarHBondContact O-CG 3.47Å; D549-R600 PolarHBondContact O-NE 2.92Å
550	C	85.4	Confident	95.9	Very high	10 Å²	10	33.7 Å²	33.7	7%	0.068	17%	0.168	C	C	.	.	S	Bend	trans	-151.7	144.5	-169.3	89.3	0	0	0	0	111.8	V548 S552	V548-C550 WeakPolarHBondContact CG1-O 3.44Å; C550-S552 PolarHBondContact O-N 2.96Å
551	N	87.9	Confident	95.9	Very high	59 Å²	59	30.5 Å²	30.5	32%	0.316	16%	0.156	S	C	.	.			trans	-67.3	130.8	169.3	-49.8	-47.6	0	0	0	110.8	E189 K226 I598 S599 R600	E189-N551 VanDerWaalsContact OE2-CB 3.27Å; E189-N551 WeakPolarHBondContact OE2-CB 3.31Å; E189-N551 PolarHBondContact OE2-ND2 3.3Å; K226-N551 WeakPolarHBondContact CE-O 3.38Å; K226-N551 PolarHBondContact NZ-O 3.06Å; N551-I598 CarbonylContact C-O 3.51Å; N551-I598 WeakPolarHBondContact CA-O 3.39Å; N551-S599 VanDerWaalsContact OD1-CA 3.29Å; N551-S599 WeakPolarHBondContact OD1-CA 3.03Å; N551-R600 PolarHBondContact OD1-N 3.45Å
552	S	92.4	Very high	95.9	Very high	7 Å²	7	27.6 Å²	27.6	5%	0.049	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	-169.2	-176	-161.4	0	0	0	0	111	S482 L518 C550 I598	S482-S552 WeakPolarHBondContact CB-OG 3.42Å; L518-S552 WeakPolarHBondContact CD2-OG 3.49Å; C550-S552 PolarHBondContact O-N 2.96Å; S552-I598 PolarHBondContact N-O 2.86Å; S552-I598 PolarHBondContact O-N 2.84Å
553	V	96.1	Very high	95.9	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.012	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	117.7	172.2	-175.2	0	0	0	0	108.1	W192 H196 S482 H555 P595 I596	W192-V553 HydrophobicContact CH2-CG2 3.87Å; W192-V553 HydrophobicContact CZ2-CG2 4.11Å; H196-V553 VanDerWaalsContact CE1-CG2 3.45Å; H196-V553 WeakPolarHBondContact CE1-CG2 3.27Å; S482-V553 WeakPolarHBondContact CA-O 3.5Å; S482-V553 WeakPolarHBondContact CB-O 3.45Å; S482-V553 PolarHBondContact OG-O 3.2Å; V553-H555 PolarHBondContact O-CE1 3.05Å; V553-H555 PolarHBondContact O-N 3.05Å; V553-H555 PolarHBondContact O-ND1 3.26Å; V553-P595 HydrophobicContact CG1-CB 3.4Å; V553-I596 CarbonylContact C-O 3.46Å; V553-I596 WeakPolarHBondContact CA-O 3.35Å
554	L	98.3	Very high	95.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	122.6	173.8	179.2	67.6	0	0	0	109.3	P480 L518 G556 F557 L592 P595 I596 I598 I604 V623	P480-L554 HydrophobicContact CB-CD1 3.6Å; L518-L554 HydrophobicContact CD1-CD1 4.26Å; L554-G556 VanDerWaalsContact CD1-O 3.3Å; L554-G556 WeakPolarHBondContact CD1-O 3.31Å; L554-F557 HydrophobicContact CD1-CZ 4.38Å; L554-F557 HydrophobicContact CD2-CE2 4.36Å; L554-F557 HydrophobicContact CD2-CZ 4.01Å; L554-L592 HydrophobicContact CD2-CD1 3.74Å; L554-L592 HydrophobicContact CG-CD1 3.74Å; L554-P595 WeakPolarHBondContact O-CA 3.27Å; L554-I596 HydrophobicContact CB-CB 4.25Å; L554-I596 PolarHBondContact N-O 2.91Å; L554-I596 PolarHBondContact O-N 2.91Å; L554-I598 HydrophobicContact CB-CD1 4.06Å; L554-I598 HydrophobicContact CB-CG1 3.87Å; L554-I604 HydrophobicContact CD1-CD1 4.19Å; L554-I604 HydrophobicContact CD2-CD1 4.23Å; L554-I604 HydrophobicContact CD2-CG2 3.8Å; L554-V623 HydrophobicContact CD2-CG1 4.39Å; L554-V623 HydrophobicContact CD2-CG2 3.93Å
555	H	98.8	Very high	95.9	Very high	6 Å²	6	23.8 Å²	23.8	3%	0.028	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	-15.8	179.3	-61	92.1	0	0	0	112.8	L481 S482 S483 S484 Y487 V553 L592	L481-H555 PolarHBondContact O-N 2.81Å; S482-H555 WeakPolarHBondContact CA-ND1 3.41Å; S482-H555 PolarHBondContact OG-CE1 2.93Å; S482-H555 PolarHBondContact OG-ND1 2.76Å; S483-H555 PolarHBondContact N-ND1 2.84Å; S484-H555 PolarHBondContact N-CE1 3.4Å; S484-H555 PolarHBondContact OG-CE1 3Å; S484-H555 PolarHBondContact OG-NE2 2.98Å; Y487-H555 VanDerWaalsContact CB-CD2 3.48Å; Y487-H555 WeakPolarHBondContact CB-CD2 3.3Å; Y487-H555 AromaticContact CG-CD2 3.78Å; V553-H555 PolarHBondContact O-CE1 3.05Å; V553-H555 PolarHBondContact O-N 3.05Å; V553-H555 PolarHBondContact O-ND1 3.26Å; H555-L592 PolarHBondContact O-N 2.96Å
556	G	98.7	Very high	95.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.7	-167.7	-177.5	0	0	0	0	0	112.6	L481 L554 F590	L481-G556 PolarHBondContact N-O 2.69Å; L554-G556 VanDerWaalsContact CD1-O 3.3Å; L554-G556 WeakPolarHBondContact CD1-O 3.31Å; G556-F590 CarbonylContact C-O 3.42Å; G556-F590 WeakPolarHBondContact CA-O 3.45Å
557	F	98.9	Very high	95.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	132.1	177.2	-61.7	-94.2	0	0	0	110.4	L478 A479 P480 F546 L554 F590 L592 I604 V606 V623	L478-F557 HydrophobicContact CD2-CB 3.87Å; A479-F557 CarbonylContact O-C 3.36Å; A479-F557 VanDerWaalsContact O-CA 3.27Å; A479-F557 WeakPolarHBondContact O-CA 3.49Å; P480-F557 HydrophobicContact CB-CD1 4.14Å; P480-F557 HydrophobicContact CB-CE1 3.89Å; F546-F557 HydrophobicContact CE2-CE1 4.26Å; L554-F557 HydrophobicContact CD1-CZ 4.38Å; L554-F557 HydrophobicContact CD2-CE2 4.36Å; L554-F557 HydrophobicContact CD2-CZ 4.01Å; F557-F590 HydrophobicContact CB-CB 4.47Å; F557-F590 PolarHBondContact N-O 3.4Å; F557-F590 PolarHBondContact O-N 3.36Å; F557-L592 HydrophobicContact CE2-CD1 4.48Å; F557-L592 HydrophobicContact CE2-CD2 4.4Å; F557-I604 HydrophobicContact CE1-CG2 4.21Å; F557-I604 HydrophobicContact CZ-CG2 4.01Å; F557-V606 HydrophobicContact CD1-CG1 4.33Å; F557-V606 HydrophobicContact CD2-CG2 4.2Å; F557-V606 HydrophobicContact CE1-CB 3.76Å; F557-V606 HydrophobicContact CE1-CG1 3.74Å; F557-V606 HydrophobicContact CE1-CG2 4.01Å; F557-V606 HydrophobicContact CE2-CB 4.13Å; F557-V606 HydrophobicContact CE2-CG2 3.56Å; F557-V606 HydrophobicContact CZ-CB 3.47Å; F557-V606 VanDerWaalsContact CZ-CB 3.47Å; F557-V606 HydrophobicContact CZ-CG1 4.01Å; F557-V606 HydrophobicContact CZ-CG2 3.47Å; F557-V606 VanDerWaalsContact CZ-CG2 3.47Å; F557-V623 HydrophobicContact CE2-CG2 3.8Å; F557-V623 HydrophobicContact CZ-CG2 3.92Å
558	A	98.9	Very high	96	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.008	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	134	165.4	0	0	0	0	0	108.7	L478 A479 L481 L512 Y560 I588	L478-A558 CarbonylContact C-O 3.44Å; L478-A558 VanDerWaalsContact CA-O 3.3Å; L478-A558 WeakPolarHBondContact CA-O 3.18Å; A479-A558 PolarHBondContact N-O 3.45Å; A479-A558 PolarHBondContact O-N 3.1Å; L481-A558 HydrophobicContact CD2-CB 3.82Å; L512-A558 HydrophobicContact CD1-CB 3.51Å; A558-Y560 HydrophobicContact CB-CE1 4.47Å; A558-Y560 HydrophobicContact CB-CE2 3.62Å; A558-Y560 VanDerWaalsContact CB-OH 3.24Å; A558-Y560 WeakPolarHBondContact CB-OH 3.29Å; A558-I588 CarbonylContact C-O 3.55Å; A558-I588 WeakPolarHBondContact CA-O 3.28Å
559	G	98.8	Very high	96.5	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	138.9	173.4	0	0	0	0	0	111.5	Y477 I588	Y477-G559 CarbonylContact O-C 3.59Å; Y477-G559 VanDerWaalsContact O-CA 3.24Å; Y477-G559 WeakPolarHBondContact O-CA 3.1Å; G559-I588 VanDerWaalsContact CA-CG2 3.49Å; G559-I588 PolarHBondContact N-O 2.9Å; G559-I588 PolarHBondContact O-N 3.45Å
560	Y	98.8	Very high	97.1	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.016	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	176.8	178.5	-47.5	-84.1	0	0	0	109.6	S445 S476 Y477 A479 Q517 P521 A558 I573 P575 P587	S445-Y560 CarbonylContact O-C 3.56Å; S476-Y560 CarbonylContact C-O 3.5Å; S476-Y560 WeakPolarHBondContact CA-O 3.49Å; Y477-Y560 PolarHBondContact N-O 2.57Å; Y477-Y560 PolarHBondContact O-N 3.42Å; A479-Y560 HydrophobicContact CB-CE2 4.13Å; Q517-Y560 PolarHBondContact OE1-OH 3.32Å; P521-Y560 HydrophobicContact CB-CD2 4.21Å; P521-Y560 HydrophobicContact CB-CE2 4.38Å; P521-Y560 HydrophobicContact CG-CD2 4.26Å; P521-Y560 HydrophobicContact CG-CE2 4.05Å; A558-Y560 HydrophobicContact CB-CE1 4.47Å; A558-Y560 HydrophobicContact CB-CE2 3.62Å; A558-Y560 VanDerWaalsContact CB-OH 3.24Å; A558-Y560 WeakPolarHBondContact CB-OH 3.29Å; Y560-I573 WeakPolarHBondContact CD1-O 3.04Å; Y560-P575 HydrophobicContact CD1-CG 4.43Å; Y560-P575 HydrophobicContact CE1-CG 3.83Å; Y560-P587 HydrophobicContact CD1-CB 4.07Å; Y560-P587 HydrophobicContact CD1-CG 4.08Å; Y560-P587 HydrophobicContact CE1-CB 3.78Å; Y560-P587 HydrophobicContact CE1-CG 3.66Å
561	F	98.8	Very high	97.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	160.8	166.9	82.1	-82.8	0	0	0	112.6	L443 G444 T475 T563 I573 W585	L443-F561 HydrophobicContact CB-CE2 4.37Å; L443-F561 HydrophobicContact CB-CZ 4.39Å; L443-F561 HydrophobicContact CD1-CD2 4.26Å; L443-F561 HydrophobicContact CD1-CE2 3.63Å; L443-F561 HydrophobicContact CD1-CZ 4.31Å; G444-F561 WeakPolarHBondContact O-CD1 3.25Å; T475-F561 CarbonylContact O-C 3.57Å; T475-F561 VanDerWaalsContact O-CA 3.27Å; T475-F561 WeakPolarHBondContact O-CA 3.47Å; F561-T563 HydrophobicContact CD2-CG2 4.47Å; F561-T563 HydrophobicContact CE2-CG2 3.83Å; F561-I573 HydrophobicContact CD1-CD1 3.63Å; F561-I573 HydrophobicContact CD1-CG1 3.65Å; F561-I573 HydrophobicContact CE1-CD1 3.91Å; F561-I573 HydrophobicContact CE1-CG1 3.96Å; F561-I573 HydrophobicContact CE1-CG2 4.04Å; F561-I573 HydrophobicContact CG-CG1 4.48Å; F561-I573 PolarHBondContact O-N 2.7Å; F561-W585 HydrophobicContact CE1-CD2 4Å; F561-W585 HydrophobicContact CE1-CE3 4.32Å; F561-W585 HydrophobicContact CE1-CG 4.09Å; F561-W585 HydrophobicContact CZ-CD2 4.1Å; F561-W585 HydrophobicContact CZ-CE3 4.14Å; F561-W585 HydrophobicContact CZ-CH2 4.39Å; F561-W585 HydrophobicContact CZ-CZ2 4.35Å; F561-W585 HydrophobicContact CZ-CZ3 4.3Å
562	E	98.8	Very high	98.2	Very high	48 Å²	48	21 Å²	21	22%	0.224	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	146	162.6	-61.4	-174.9	137.3	0	0	109.1	Y474 T475 Y477 L571 S572 K574 T577	Y474-E562 CarbonylContact C-O 3.55Å; Y474-E562 WeakPolarHBondContact CA-O 3Å; Y474-E562 WeakPolarHBondContact CB-O 3.27Å; T475-E562 PolarHBondContact N-O 3.08Å; T475-E562 PolarHBondContact O-N 2.94Å; Y477-E562 HydrophobicContact CD2-CG 4.28Å; Y477-E562 HydrophobicContact CE2-CB 3.96Å; Y477-E562 HydrophobicContact CE2-CG 3.61Å; Y477-E562 WeakPolarHBondContact CE2-OE2 3.35Å; Y477-E562 VanDerWaalsContact CZ-OE2 3.28Å; Y477-E562 PolarHBondContact OH-OE2 3.32Å; E562-L571 CarbonylContact C-O 3.54Å; E562-L571 WeakPolarHBondContact CA-O 3.43Å; E562-S572 WeakPolarHBondContact CG-OG 3.41Å; E562-K574 HydrophobicContact CG-CB 4.16Å; E562-T577 VanDerWaalsContact OE1-CB 3.31Å; E562-T577 WeakPolarHBondContact OE1-CB 3.2Å; E562-T577 PolarHBondContact OE1-OG1 3.34Å
563	T	98.9	Very high	98.5	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.012	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	137.3	173.8	-177	0	0	0	0	111.1	L443 P471 S473 F561 L565 T570 L571	L443-T563 HydrophobicContact CD1-CG2 3.78Å; P471-T563 WeakPolarHBondContact CB-OG1 3.31Å; S473-T563 CarbonylContact O-C 3.57Å; S473-T563 VanDerWaalsContact O-CA 3.29Å; S473-T563 WeakPolarHBondContact O-CA 3.42Å; S473-T563 WeakPolarHBondContact O-CB 3.28Å; S473-T563 PolarHBondContact O-OG1 3.38Å; F561-T563 HydrophobicContact CD2-CG2 4.47Å; F561-T563 HydrophobicContact CE2-CG2 3.83Å; T563-L565 HydrophobicContact CG2-CD2 3.91Å; T563-T570 CarbonylContact O-C 3.44Å; T563-T570 WeakPolarHBondContact O-CA 3.27Å; T563-T570 VanDerWaalsContact O-CB 3.29Å; T563-T570 WeakPolarHBondContact O-CB 3.48Å; T563-L571 HydrophobicContact CG2-CB 3.69Å; T563-L571 HydrophobicContact CG2-CG 4.44Å; T563-L571 PolarHBondContact N-O 3.39Å; T563-L571 PolarHBondContact O-N 3.33Å
564	T	98.9	Very high	98.6	Very high	45 Å²	45	22 Å²	22	28%	0.276	11%	0.112	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	108.5	165.1	-59.5	0	0	0	0	107.7	C472 S473 K567	C472-T564 PolarHBondContact N-O 3.48Å; S473-T564 PolarHBondContact N-O 2.83Å; S473-T564 PolarHBondContact O-N 2.92Å; T564-K567 VanDerWaalsContact CG2-O 3.23Å; T564-K567 WeakPolarHBondContact CG2-O 3.5Å
565	L	98.8	Very high	98.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	-56.4	175.7	-61.4	-172.1	0	0	0	109.5	Q342 Y343 A346 I470 P471 C472 T563 V569 L571	Q342-L565 HydrophobicContact CB-CD1 3.87Å; Y343-L565 HydrophobicContact CD1-CD1 4.36Å; Y343-L565 HydrophobicContact CD1-CD2 4.48Å; Y343-L565 HydrophobicContact CD2-CD1 3.94Å; Y343-L565 HydrophobicContact CE1-CD2 3.93Å; Y343-L565 HydrophobicContact CE2-CD1 4.16Å; Y343-L565 HydrophobicContact CE2-CD2 3.95Å; Y343-L565 HydrophobicContact CG-CD1 4.05Å; A346-L565 HydrophobicContact CB-CB 3.69Å; A346-L565 HydrophobicContact CB-CD1 4.37Å; I470-L565 HydrophobicContact CG2-CB 4.1Å; P471-L565 HydrophobicContact CB-CD2 4.07Å; C472-L565 PolarHBondContact N-O 3.14Å; C472-L565 PolarHBondContact SG-O 3.47Å; C472-L565 VanDerWaalsContact SG-O 3.34Å; T563-L565 HydrophobicContact CG2-CD2 3.91Å; L565-V569 HydrophobicContact CB-CG1 4.33Å; L565-V569 WeakPolarHBondContact CB-O 3.35Å; L565-V569 HydrophobicContact CD1-CG1 4.23Å; L565-V569 PolarHBondContact N-O 3.16Å; L565-L571 HydrophobicContact CD1-CD1 4.06Å; L565-L571 HydrophobicContact CD1-CG 4.07Å; L565-L571 HydrophobicContact CD2-CD1 4.27Å; L565-L571 HydrophobicContact CG-CD1 4.48Å; L565-L571 HydrophobicContact CG-CG 4.38Å
566	Y	98.8	Very high	98.3	Very high	25 Å²	25	29.4 Å²	29.4	10%	0.098	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	122.2	174.9	-174.1	-105	0	0	0	110.5	K349 C350 D353 V468 D568 V569	K349-Y566 HydrophobicContact CB-CD1 3.92Å; K349-Y566 HydrophobicContact CB-CE1 4.08Å; C350-Y566 HydrophobicContact CB-CD1 4.17Å; C350-Y566 HydrophobicContact CB-CD2 4.22Å; C350-Y566 HydrophobicContact CB-CE1 4.01Å; C350-Y566 HydrophobicContact CB-CE2 4.06Å; C350-Y566 HydrophobicContact CB-CG 4.27Å; D353-Y566 VanDerWaalsContact OD2-CE1 3.28Å; D353-Y566 WeakPolarHBondContact OD2-CE1 3.3Å; D353-Y566 PolarHBondContact OD2-OH 2.98Å; D353-Y566 VanDerWaalsContact OD2-OH 3.11Å; V468-Y566 HydrophobicContact CG1-CD2 3.8Å; V468-Y566 HydrophobicContact CG1-CE2 3.76Å; V468-Y566 HydrophobicContact CG2-CE2 4.41Å; Y566-D568 PolarHBondContact O-N 2.6Å; Y566-D568 VanDerWaalsContact O-N 3.12Å; Y566-V569 PolarHBondContact N-O 2.89Å; Y566-V569 WeakPolarHBondContact O-CB 3.41Å; Y566-V569 PolarHBondContact O-N 2.65Å
567	K	98	Very high	98.3	Very high	118 Å²	118	32.5 Å²	32.5	51%	0.513	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	-112.2	-177.5	-63	179	177.1	176.1	0	112.3	D353 T564	D353-K567 IonicContact OD1-NZ 2.7Å; D353-K567 PolarHBondContact OD1-NZ 3.2Å; D353-K567 VanDerWaalsContact OD1-NZ 3.1Å; D353-K567 WeakPolarHBondContact OD2-CE 3.31Å; D353-K567 IonicContact OD2-NZ 2.65Å; D353-K567 PolarHBondContact OD2-NZ 3.47Å; T564-K567 VanDerWaalsContact CG2-O 3.23Å; T564-K567 WeakPolarHBondContact CG2-O 3.5Å
568	D	97.9	Very high	98.2	Very high	112 Å²	112	35 Å²	35	60%	0.599	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-2.4	-178.2	63	-52.5	0	0	0	113.7	K349 Y566	K349-D568 IonicContact NZ-OD1 3.49Å; K349-D568 PolarHBondContact NZ-OD1 2.87Å; K349-D568 IonicContact NZ-OD2 2.55Å; K349-D568 PolarHBondContact NZ-OD2 3.19Å; Y566-D568 PolarHBondContact O-N 2.6Å; Y566-D568 VanDerWaalsContact O-N 3.12Å
569	V	98.7	Very high	98.1	Very high	5 Å²	5	35.4 Å²	35.4	3%	0.03	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	114.3	177.6	-171.7	0	0	0	0	109.4	Q342 Q345 A346 K349 L565 Y566	Q342-V569 HydrophobicContact CB-CG1 4.26Å; Q342-V569 WeakPolarHBondContact O-CG1 3.31Å; Q345-V569 HydrophobicContact CB-CG1 4.46Å; Q345-V569 HydrophobicContact CG-CG2 4.06Å; A346-V569 HydrophobicContact CB-CB 4.25Å; A346-V569 HydrophobicContact CB-CG1 4.07Å; K349-V569 HydrophobicContact CD-CG2 3.83Å; L565-V569 HydrophobicContact CB-CG1 4.33Å; L565-V569 WeakPolarHBondContact CB-O 3.35Å; L565-V569 HydrophobicContact CD1-CG1 4.23Å; L565-V569 PolarHBondContact N-O 3.16Å; Y566-V569 PolarHBondContact N-O 2.89Å; Y566-V569 WeakPolarHBondContact O-CB 3.41Å; Y566-V569 PolarHBondContact O-N 2.65Å
570	T	98.6	Very high	97.8	Very high	63 Å²	63	40.9 Å²	40.9	39%	0.387	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	163.3	-175.8	63.7	0	0	0	0	112.6	Q342 T563	Q342-T570 PolarHBondContact NE2-O 2.96Å; T563-T570 CarbonylContact O-C 3.44Å; T563-T570 WeakPolarHBondContact O-CA 3.27Å; T563-T570 VanDerWaalsContact O-CB 3.29Å; T563-T570 WeakPolarHBondContact O-CB 3.48Å
571	L	98.7	Very high	97.4	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	148.1	160.9	-63.5	171.5	0	0	0	108.6	K339 Q342 Y343 E562 T563 L565 S579 M582 W585	K339-L571 HydrophobicContact CG-CD1 4.24Å; Q342-L571 HydrophobicContact CB-CD2 3.72Å; Q342-L571 HydrophobicContact CB-CG 4.3Å; Q342-L571 HydrophobicContact CG-CD2 3.65Å; Y343-L571 HydrophobicContact CD2-CD1 4.29Å; Y343-L571 HydrophobicContact CE2-CD1 3.86Å; E562-L571 CarbonylContact C-O 3.54Å; E562-L571 WeakPolarHBondContact CA-O 3.43Å; T563-L571 HydrophobicContact CG2-CB 3.69Å; T563-L571 HydrophobicContact CG2-CG 4.44Å; T563-L571 PolarHBondContact N-O 3.39Å; T563-L571 PolarHBondContact O-N 3.33Å; L565-L571 HydrophobicContact CD1-CD1 4.06Å; L565-L571 HydrophobicContact CD1-CG 4.07Å; L565-L571 HydrophobicContact CD2-CD1 4.27Å; L565-L571 HydrophobicContact CG-CD1 4.48Å; L565-L571 HydrophobicContact CG-CG 4.38Å; L571-S579 WeakPolarHBondContact CA-OG 3.33Å; L571-M582 HydrophobicContact CB-SD 4.27Å; L571-M582 HydrophobicContact CD2-SD 3.73Å; L571-M582 HydrophobicContact CG-SD 4.42Å; L571-W585 HydrophobicContact CD1-CH2 4.42Å
572	S	98.6	Very high	97.2	Very high	3 Å²	3	42 Å²	42	2%	0.021	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	140.2	-179.4	169.7	0	0	0	0	111.2	E562 K574 T577 H578 S579 M582	E562-S572 WeakPolarHBondContact CG-OG 3.41Å; S572-K574 PolarHBondContact OG-N 3.39Å; S572-T577 WeakPolarHBondContact CB-O 3.37Å; S572-T577 PolarHBondContact OG-O 3.16Å; S572-T577 PolarHBondContact OG-OG1 2.95Å; S572-H578 WeakPolarHBondContact O-CA 3.23Å; S572-S579 PolarHBondContact N-OG 3.34Å; S572-S579 PolarHBondContact O-N 3.29Å; S572-S579 PolarHBondContact O-OG 3.3Å; S572-M582 WeakPolarHBondContact O-CE 3.46Å
573	I	98.3	Very high	96.8	Very high	4 Å²	4	40.9 Å²	40.9	2%	0.021	23%	0.231	C	C	.	.			trans	-111.8	2.6	164.6	67.9	169.8	0	0	0	112.6	S445 Y560 F561 M582 W585	S445-I573 WeakPolarHBondContact O-CD1 3.43Å; Y560-I573 WeakPolarHBondContact CD1-O 3.04Å; F561-I573 HydrophobicContact CD1-CD1 3.63Å; F561-I573 HydrophobicContact CD1-CG1 3.65Å; F561-I573 HydrophobicContact CE1-CD1 3.91Å; F561-I573 HydrophobicContact CE1-CG1 3.96Å; F561-I573 HydrophobicContact CE1-CG2 4.04Å; F561-I573 HydrophobicContact CG-CG1 4.48Å; F561-I573 PolarHBondContact O-N 2.7Å; I573-M582 HydrophobicContact CG2-CE 3.4Å; I573-W585 HydrophobicContact CD1-CB 4.2Å; I573-W585 HydrophobicContact CG2-CB 4Å; I573-W585 HydrophobicContact CG2-CE3 4.34Å
574	K	97.8	Very high	96.3	Very high	27 Å²	27	41.7 Å²	41.7	12%	0.117	24%	0.237	C	C	.	.	S	Bend	trans	-63.7	129.3	172.1	173.8	178.4	179.9	-75.8	0	108	Y477 P521 E562 S572 D576 T577 H578	Y477-K574 HydrophobicContact CD1-CD 4.08Å; Y477-K574 HydrophobicContact CE1-CD 4.12Å; Y477-K574 HydrophobicContact CG-CD 4.3Å; P521-K574 HydrophobicContact CG-CG 4.42Å; E562-K574 HydrophobicContact CG-CB 4.16Å; S572-K574 PolarHBondContact OG-N 3.39Å; K574-D576 IonicContact NZ-OD2 3.26Å; K574-D576 PolarHBondContact NZ-OD2 3.02Å; K574-D576 PolarHBondContact O-N 2.94Å; K574-T577 CarbonylContact O-C 3.39Å; K574-T577 PolarHBondContact O-N 3.37Å; K574-T577 VanDerWaalsContact O-N 3.09Å; K574-H578 WeakPolarHBondContact O-CA 3.46Å; K574-H578 PolarHBondContact O-N 3.4Å
575	P	95.7	Very high	96.3	Very high	58 Å²	58	40.3 Å²	40.3	38%	0.377	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-49.4	-48.8	-169.8	-32	36.2	0	0	0	115.5	Y560 T577 H578	Y560-P575 HydrophobicContact CD1-CG 4.43Å; Y560-P575 HydrophobicContact CE1-CG 3.83Å; P575-T577 VanDerWaalsContact C-N 3.29Å; P575-T577 PolarHBondContact O-N 3.12Å; P575-H578 PolarHBondContact O-N 2.98Å
576	D	95.6	Very high	96.2	Very high	102 Å²	102	41 Å²	41	55%	0.545	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-71.5	-22.6	-175.2	-42.2	-42.4	0	0	0	114.3	K574	K574-D576 IonicContact NZ-OD2 3.26Å; K574-D576 PolarHBondContact NZ-OD2 3.02Å; K574-D576 PolarHBondContact O-N 2.94Å
577	T	96.9	Very high	96.2	Very high	65 Å²	65	40.3 Å²	40.3	40%	0.399	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-118.1	13.8	-176.5	55.4	0	0	0	0	111.7	E562 S572 K574 P575 S579	E562-T577 VanDerWaalsContact OE1-CB 3.31Å; E562-T577 WeakPolarHBondContact OE1-CB 3.2Å; E562-T577 PolarHBondContact OE1-OG1 3.34Å; S572-T577 WeakPolarHBondContact CB-O 3.37Å; S572-T577 PolarHBondContact OG-O 3.16Å; S572-T577 PolarHBondContact OG-OG1 2.95Å; K574-T577 CarbonylContact O-C 3.39Å; K574-T577 PolarHBondContact O-N 3.37Å; K574-T577 VanDerWaalsContact O-N 3.09Å; P575-T577 VanDerWaalsContact C-N 3.29Å; P575-T577 PolarHBondContact O-N 3.12Å; T577-S579 PolarHBondContact O-N 3.24Å
578	H	97.4	Very high	96.3	Very high	52 Å²	52	34.7 Å²	34.7	24%	0.241	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-56.4	130.1	-172.3	-168.8	-63	0	0	0	110.3	S572 K574 P575 P580 M582	S572-H578 WeakPolarHBondContact O-CA 3.23Å; K574-H578 WeakPolarHBondContact O-CA 3.46Å; K574-H578 PolarHBondContact O-N 3.4Å; P575-H578 PolarHBondContact O-N 2.98Å; H578-P580 VanDerWaalsContact O-CD 3.26Å; H578-P580 WeakPolarHBondContact O-CD 3.31Å; H578-P580 VanDerWaalsContact O-N 3.15Å; H578-M582 PolarHBondContact CE1-O 3.44Å; H578-M582 VanDerWaalsContact CE1-O 3.28Å
579	S	97.1	Very high	96.3	Very high	10 Å²	10	29.5 Å²	29.5	7%	0.07	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-60.8	118.2	178.6	-64.5	0	0	0	0	110	L571 S572 T577 G581 M582	L571-S579 WeakPolarHBondContact CA-OG 3.33Å; S572-S579 PolarHBondContact N-OG 3.34Å; S572-S579 PolarHBondContact O-N 3.29Å; S572-S579 PolarHBondContact O-OG 3.3Å; T577-S579 PolarHBondContact O-N 3.24Å; S579-G581 PolarHBondContact O-N 2.92Å; S579-M582 WeakPolarHBondContact O-CB 3.33Å; S579-M582 PolarHBondContact O-N 3.44Å
580	P	93.4	Very high	96.3	Very high	116 Å²	116	29.3 Å²	29.3	75%	0.753	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	125.5	-172.2	-26.6	35.4	0	0	0	112.2	H578 M582	H578-P580 VanDerWaalsContact O-CD 3.26Å; H578-P580 WeakPolarHBondContact O-CD 3.31Å; H578-P580 VanDerWaalsContact O-N 3.15Å; P580-M582 VanDerWaalsContact C-N 3.26Å; P580-M582 PolarHBondContact O-N 3.14Å
581	G	89	Confident	96.3	Very high	27 Å²	27	26.4 Å²	26.4	28%	0.278	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	1	176.8	0	0	0	0	0	115.6	S579 F583	S579-G581 PolarHBondContact O-N 2.92Å; G581-F583 VanDerWaalsContact O-CD1 3.24Å; G581-F583 WeakPolarHBondContact O-CD1 3.35Å
582	M	94.7	Very high	96.3	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.005	16%	0.157	C	C	.	.			trans	-76.7	137.1	172.5	-168.2	-179.8	74.1	0	0	109.9	Y303 D336 I338 L571 S572 I573 H578 S579 P580 W585	Y303-M582 VanDerWaalsContact CD2-O 3.25Å; Y303-M582 WeakPolarHBondContact CD2-O 3.36Å; D336-M582 WeakPolarHBondContact OD2-CG 3.29Å; I338-M582 HydrophobicContact CB-CB 4.22Å; I338-M582 HydrophobicContact CG2-CB 4.26Å; L571-M582 HydrophobicContact CB-SD 4.27Å; L571-M582 HydrophobicContact CD2-SD 3.73Å; L571-M582 HydrophobicContact CG-SD 4.42Å; S572-M582 WeakPolarHBondContact O-CE 3.46Å; I573-M582 HydrophobicContact CG2-CE 3.4Å; H578-M582 PolarHBondContact CE1-O 3.44Å; H578-M582 VanDerWaalsContact CE1-O 3.28Å; S579-M582 WeakPolarHBondContact O-CB 3.33Å; S579-M582 PolarHBondContact O-N 3.44Å; P580-M582 VanDerWaalsContact C-N 3.26Å; P580-M582 PolarHBondContact O-N 3.14Å; M582-W585 HydrophobicContact CE-CE3 3.8Å; M582-W585 HydrophobicContact CE-CZ3 3.95Å; M582-W585 HydrophobicContact CG-CZ3 4.35Å; M582-W585 HydrophobicContact SD-CE3 4.01Å; M582-W585 HydrophobicContact SD-CZ3 3.59Å; M582-W585 VanDerWaalsContact SD-CZ3 3.59Å
583	F	90.6	Very high	96.3	Very high	23 Å²	23	27.1 Å²	27.1	10%	0.101	16%	0.159	C	C	.	.			trans	-139.6	9.9	-178.8	49.1	-100.8	0	0	0	113.4	Y303 F306 K335 D336 G581 W585	Y303-F583 HydrophobicContact CD2-CB 3.67Å; Y303-F583 HydrophobicContact CE2-CB 4.23Å; F306-F583 HydrophobicContact CB-CB 4.39Å; F306-F583 HydrophobicContact CB-CD2 4.37Å; F306-F583 HydrophobicContact CB-CG 4.19Å; F306-F583 HydrophobicContact CD1-CB 3.74Å; F306-F583 AromaticContact CD1-CD2 3.75Å; F306-F583 HydrophobicContact CD1-CD2 3.75Å; F306-F583 AromaticContact CD1-CG 3.96Å; F306-F583 HydrophobicContact CD1-CG 3.96Å; F306-F583 AromaticContact CD2-CD2 3.59Å; F306-F583 HydrophobicContact CD2-CD2 3.59Å; F306-F583 AromaticContact CD2-CE2 3.73Å; F306-F583 HydrophobicContact CD2-CE2 3.73Å; F306-F583 HydrophobicContact CD2-CG 4.26Å; F306-F583 HydrophobicContact CD2-CZ 4.48Å; F306-F583 HydrophobicContact CE1-CB 4.24Å; F306-F583 AromaticContact CE1-CD2 3.84Å; F306-F583 HydrophobicContact CE1-CD2 3.84Å; F306-F583 HydrophobicContact CE1-CG 4.41Å; F306-F583 AromaticContact CE2-CD2 3.69Å; F306-F583 HydrophobicContact CE2-CD2 3.69Å; F306-F583 AromaticContact CE2-CE2 3.8Å; F306-F583 HydrophobicContact CE2-CE2 3.8Å; F306-F583 HydrophobicContact CG-CB 4.1Å; F306-F583 AromaticContact CG-CD2 3.62Å; F306-F583 HydrophobicContact CG-CD2 3.62Å; F306-F583 HydrophobicContact CG-CE2 4.19Å; F306-F583 AromaticContact CG-CG 3.87Å; F306-F583 HydrophobicContact CG-CG 3.87Å; F306-F583 AromaticContact CZ-CD2 3.81Å; F306-F583 HydrophobicContact CZ-CD2 3.81Å; F306-F583 HydrophobicContact CZ-CE2 4.33Å; K335-F583 HydrophobicContact CB-CE2 4.08Å; K335-F583 HydrophobicContact CB-CZ 4.44Å; K335-F583 VanDerWaalsContact O-CZ 3.23Å; K335-F583 WeakPolarHBondContact O-CZ 3.45Å; D336-F583 HydrophobicContact CB-CD2 4.38Å; D336-F583 HydrophobicContact CB-CE2 4.05Å; D336-F583 HydrophobicContact CB-CZ 4.33Å; D336-F583 PolarHBondContact OD2-N 3.42Å; G581-F583 VanDerWaalsContact O-CD1 3.24Å; G581-F583 WeakPolarHBondContact O-CD1 3.35Å; F583-W585 PolarHBondContact O-N 3.37Å
584	S	89.4	Confident	96.3	Very high	20 Å²	20	32.8 Å²	32.8	14%	0.14	19%	0.186	C	C	.	.	S	Bend	trans	-58.5	-27.6	179.1	-70	0	0	0	0	114.5	D336	D336-S584 WeakPolarHBondContact CB-OG 3.16Å; D336-S584 WeakPolarHBondContact OD2-CB 3.39Å; D336-S584 PolarHBondContact OD2-N 3.11Å; D336-S584 PolarHBondContact OD2-OG 2.77Å
585	W	97.4	Very high	96.3	Very high	16 Å²	16	33 Å²	33	6%	0.061	19%	0.19	C	C	.	.			trans	-134.5	133	-175.6	-58.8	-90	0	0	0	111.3	K339 E441 L443 F561 L571 I573 M582 F583	K339-W585 HydrophobicContact CD-CH2 3.24Å; K339-W585 HydrophobicContact CD-CZ2 3.96Å; K339-W585 HydrophobicContact CD-CZ3 3.82Å; K339-W585 HydrophobicContact CG-CH2 4.02Å; K339-W585 HydrophobicContact CG-CZ3 4.4Å; E441-W585 HydrophobicContact CG-CZ2 4.44Å; E441-W585 WeakPolarHBondContact OE1-CZ2 3.41Å; L443-W585 PolarHBondContact O-NE1 2.87Å; F561-W585 HydrophobicContact CE1-CD2 4Å; F561-W585 HydrophobicContact CE1-CE3 4.32Å; F561-W585 HydrophobicContact CE1-CG 4.09Å; F561-W585 HydrophobicContact CZ-CD2 4.1Å; F561-W585 HydrophobicContact CZ-CE3 4.14Å; F561-W585 HydrophobicContact CZ-CH2 4.39Å; F561-W585 HydrophobicContact CZ-CZ2 4.35Å; F561-W585 HydrophobicContact CZ-CZ3 4.3Å; L571-W585 HydrophobicContact CD1-CH2 4.42Å; I573-W585 HydrophobicContact CD1-CB 4.2Å; I573-W585 HydrophobicContact CG2-CB 4Å; I573-W585 HydrophobicContact CG2-CE3 4.34Å; M582-W585 HydrophobicContact CE-CE3 3.8Å; M582-W585 HydrophobicContact CE-CZ3 3.95Å; M582-W585 HydrophobicContact CG-CZ3 4.35Å; M582-W585 HydrophobicContact SD-CE3 4.01Å; M582-W585 HydrophobicContact SD-CZ3 3.59Å; M582-W585 VanDerWaalsContact SD-CZ3 3.59Å; F583-W585 PolarHBondContact O-N 3.37Å
586	F	98.1	Very high	96.3	Very high	15 Å²	15	30.7 Å²	30.7	7%	0.066	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-89	159.8	160.1	-62.3	-36.4	0	0	0	110.4	Y303 F306 A307 Y310 S445 V509 R511	Y303-F586 HydrophobicContact CE2-CD1 4.38Å; Y303-F586 HydrophobicContact CE2-CE1 4.3Å; F306-F586 HydrophobicContact CD1-CZ 4.33Å; F306-F586 HydrophobicContact CE1-CZ 4.22Å; A307-F586 HydrophobicContact CB-CE1 3.73Å; A307-F586 HydrophobicContact CB-CZ 3.81Å; Y310-F586 HydrophobicContact CD1-CE2 4.21Å; Y310-F586 HydrophobicContact CD2-CE2 4.36Å; Y310-F586 HydrophobicContact CD2-CZ 4.48Å; Y310-F586 AromaticContact CG-CE2 3.83Å; Y310-F586 HydrophobicContact CG-CE2 3.83Å; Y310-F586 HydrophobicContact CG-CZ 4.32Å; S445-F586 WeakPolarHBondContact CB-O 3.44Å; S445-F586 PolarHBondContact OG-O 3.23Å; V509-F586 HydrophobicContact CG1-CB 3.88Å; R511-F586 HydrophobicContact CB-CD1 3.95Å; R511-F586 HydrophobicContact CB-CD2 3.94Å; R511-F586 HydrophobicContact CB-CE1 4.11Å; R511-F586 HydrophobicContact CB-CE2 4.1Å; R511-F586 HydrophobicContact CB-CG 3.88Å; R511-F586 HydrophobicContact CB-CZ 4.19Å; R511-F586 HydrophobicContact CG-CD1 4.35Å; R511-F586 HydrophobicContact CG-CE1 4.28Å
587	P	98.7	Very high	96.3	Very high	9 Å²	9	29.7 Å²	29.7	6%	0.058	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-55.3	159.6	171	-24.8	34.8	0	0	0	112.7	V510 L512 Y560	V510-P587 PolarHBondContact N-O 3.49Å; V510-P587 WeakPolarHBondContact O-CD 3.29Å; L512-P587 HydrophobicContact CD1-CB 3.84Å; L512-P587 HydrophobicContact CD1-CG 4.25Å; L512-P587 HydrophobicContact CG-CB 4.22Å; L512-P587 HydrophobicContact CG-CG 4.47Å; Y560-P587 HydrophobicContact CD1-CB 4.07Å; Y560-P587 HydrophobicContact CD1-CG 4.08Å; Y560-P587 HydrophobicContact CE1-CB 3.78Å; Y560-P587 HydrophobicContact CE1-CG 3.66Å
588	I	98.8	Very high	96.2	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	151.4	168.2	-157.2	166.2	0	0	0	109.9	P317 F446 P507 Y508 A558 G559 F590	P317-I588 HydrophobicContact CB-CD1 4.46Å; P317-I588 HydrophobicContact CG-CD1 3.9Å; P317-I588 HydrophobicContact CG-CG1 4.46Å; F446-I588 HydrophobicContact CB-CD1 4.38Å; F446-I588 HydrophobicContact CB-CG2 3.92Å; F446-I588 HydrophobicContact CD2-CG2 3.76Å; F446-I588 HydrophobicContact CG-CG2 4.09Å; P507-I588 HydrophobicContact CB-CD1 3.79Å; P507-I588 HydrophobicContact CB-CG1 3.96Å; P507-I588 HydrophobicContact CG-CD1 4.39Å; Y508-I588 CarbonylContact O-C 3.59Å; Y508-I588 VanDerWaalsContact O-CA 3.27Å; Y508-I588 WeakPolarHBondContact O-CA 3.44Å; Y508-I588 WeakPolarHBondContact O-CG1 3.28Å; A558-I588 CarbonylContact C-O 3.55Å; A558-I588 WeakPolarHBondContact CA-O 3.28Å; G559-I588 VanDerWaalsContact CA-CG2 3.49Å; G559-I588 PolarHBondContact N-O 2.9Å; G559-I588 PolarHBondContact O-N 3.45Å; I588-F590 HydrophobicContact CD1-CZ 4.47Å; I588-F590 HydrophobicContact CG2-CD2 4.17Å; I588-F590 HydrophobicContact CG2-CE2 3.62Å; I588-F590 HydrophobicContact CG2-CZ 4.42Å
589	L	98.9	Very high	95.9	Very high	4 Å²	4	27 Å²	27	2%	0.021	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	126	175.8	169	67.5	0	0	0	109	L314 L481 L486 V490 P507 Y508 V510 P591	L314-L589 HydrophobicContact CD2-CD2 4.08Å; L481-L589 HydrophobicContact CD1-CD1 4.34Å; L481-L589 HydrophobicContact CD2-CD1 3.86Å; L481-L589 HydrophobicContact CG-CD1 4.47Å; L486-L589 HydrophobicContact CB-CD2 4.39Å; V490-L589 HydrophobicContact CG2-CD2 4.01Å; P507-L589 CarbonylContact C-O 3.45Å; P507-L589 WeakPolarHBondContact CA-O 3.37Å; Y508-L589 PolarHBondContact N-O 3.47Å; Y508-L589 PolarHBondContact O-N 3.1Å; V510-L589 HydrophobicContact CG1-CB 3.65Å; V510-L589 HydrophobicContact CG1-CD2 4.46Å; L589-P591 WeakPolarHBondContact O-CD 3.24Å
590	F	98.9	Very high	95.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	101.4	166.6	-68.3	-87.4	0	0	0	109.2	F446 L478 P507 G556 F557 I588 F608 Y619 W621	F446-F590 HydrophobicContact CD1-CE2 4.06Å; F446-F590 AromaticContact CD1-CZ 3.91Å; F446-F590 HydrophobicContact CD1-CZ 3.91Å; F446-F590 AromaticContact CD2-CE2 3.89Å; F446-F590 HydrophobicContact CD2-CE2 3.89Å; F446-F590 HydrophobicContact CE1-CE2 4.03Å; F446-F590 HydrophobicContact CE1-CZ 4.02Å; F446-F590 AromaticContact CE2-CE2 3.87Å; F446-F590 HydrophobicContact CE2-CE2 3.87Å; F446-F590 AromaticContact CG-CE2 3.99Å; F446-F590 HydrophobicContact CG-CE2 3.99Å; F446-F590 HydrophobicContact CG-CZ 4.18Å; F446-F590 AromaticContact CZ-CE2 3.95Å; F446-F590 HydrophobicContact CZ-CE2 3.95Å; F446-F590 HydrophobicContact CZ-CZ 4.38Å; L478-F590 HydrophobicContact CD2-CD2 3.97Å; L478-F590 HydrophobicContact CD2-CE2 4.28Å; P507-F590 HydrophobicContact CB-CD1 3.89Å; P507-F590 HydrophobicContact CB-CE1 3.68Å; P507-F590 HydrophobicContact CB-CZ 4.15Å; P507-F590 HydrophobicContact CG-CE1 4.2Å; G556-F590 CarbonylContact C-O 3.42Å; G556-F590 WeakPolarHBondContact CA-O 3.45Å; F557-F590 HydrophobicContact CB-CB 4.47Å; F557-F590 PolarHBondContact N-O 3.4Å; F557-F590 PolarHBondContact O-N 3.36Å; I588-F590 HydrophobicContact CD1-CZ 4.47Å; I588-F590 HydrophobicContact CG2-CD2 4.17Å; I588-F590 HydrophobicContact CG2-CE2 3.62Å; I588-F590 HydrophobicContact CG2-CZ 4.42Å; F590-F608 HydrophobicContact CB-CZ 3.87Å; F590-F608 AromaticContact CD1-CE1 3.84Å; F590-F608 HydrophobicContact CD1-CE1 3.84Å; F590-F608 AromaticContact CD1-CZ 3.87Å; F590-F608 HydrophobicContact CD1-CZ 3.87Å; F590-F608 HydrophobicContact CD2-CE1 4.02Å; F590-F608 AromaticContact CD2-CZ 3.87Å; F590-F608 HydrophobicContact CD2-CZ 3.87Å; F590-F608 AromaticContact CE1-CE1 3.86Å; F590-F608 HydrophobicContact CE1-CE1 3.86Å; F590-F608 HydrophobicContact CE1-CZ 4.36Å; F590-F608 HydrophobicContact CE2-CE1 4.04Å; F590-F608 HydrophobicContact CE2-CZ 4.35Å; F590-F608 AromaticContact CG-CE1 3.92Å; F590-F608 HydrophobicContact CG-CE1 3.92Å; F590-F608 AromaticContact CG-CZ 3.6Å; F590-F608 HydrophobicContact CG-CZ 3.6Å; F590-F608 AromaticContact CZ-CE1 3.97Å; F590-F608 HydrophobicContact CZ-CE1 3.97Å; F590-Y619 HydrophobicContact CE1-CD2 4.04Å; F590-Y619 HydrophobicContact CE1-CG 4.3Å; F590-Y619 HydrophobicContact CZ-CD2 4.18Å; F590-W621 HydrophobicContact CB-CZ2 4.46Å; F590-W621 HydrophobicContact CD1-CD2 4.14Å; F590-W621 AromaticContact CD1-CE3 3.87Å; F590-W621 HydrophobicContact CD1-CE3 3.87Å; F590-W621 HydrophobicContact CD1-CH2 4.04Å; F590-W621 HydrophobicContact CD1-CZ2 4.31Å; F590-W621 AromaticContact CD1-CZ3 3.83Å; F590-W621 HydrophobicContact CD1-CZ3 3.83Å; F590-W621 HydrophobicContact CE1-CE3 4.41Å; F590-W621 HydrophobicContact CE1-CZ3 4.29Å
591	P	98.8	Very high	95	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.019	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	165	-174.2	32.3	-35.6	0	0	0	112.6	V490 F504 T506 Y508 L589 W621	V490-P591 HydrophobicContact CG1-CB 4.04Å; V490-P591 HydrophobicContact CG1-CG 4.07Å; V490-P591 HydrophobicContact CG2-CB 4.2Å; F504-P591 HydrophobicContact CD1-CB 4.17Å; T506-P591 VanDerWaalsContact O-CD 3.32Å; T506-P591 WeakPolarHBondContact O-CD 3.34Å; Y508-P591 HydrophobicContact CD2-CG 4.49Å; Y508-P591 HydrophobicContact CE2-CG 4.31Å; L589-P591 WeakPolarHBondContact O-CD 3.24Å; P591-W621 PolarHBondContact O-NE1 2.82Å
592	L	98.7	Very high	95.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	140.4	169.1	-62	175.3	0	0	0	110.3	F504 L554 H555 F557 Q594 I596 V623	F504-L592 WeakPolarHBondContact CD1-O 3.35Å; L554-L592 HydrophobicContact CD2-CD1 3.74Å; L554-L592 HydrophobicContact CG-CD1 3.74Å; H555-L592 PolarHBondContact O-N 2.96Å; F557-L592 HydrophobicContact CE2-CD1 4.48Å; F557-L592 HydrophobicContact CE2-CD2 4.4Å; L592-Q594 PolarHBondContact O-N 3.22Å; L592-I596 HydrophobicContact CD1-CD1 4.06Å; L592-V623 HydrophobicContact CD1-CG2 3.8Å; L592-V623 HydrophobicContact CD2-CG2 3.89Å
593	K	98.1	Very high	95.2	Very high	17 Å²	17	35.5 Å²	35.5	7%	0.074	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	-49	175.2	-76.2	179.7	175.3	-157.4	0	112.7	Y487 E501 F504 E505 H632	Y487-K593 PolarHBondContact OH-O 3.25Å; Y487-K593 VanDerWaalsContact OH-O 3.1Å; E501-K593 HydrophobicContact CB-CD 4.33Å; E501-K593 WeakPolarHBondContact OE2-CD 3.38Å; E501-K593 WeakPolarHBondContact OE2-CE 3.44Å; E501-K593 IonicContact OE2-NZ 2.71Å; E501-K593 PolarHBondContact OE2-NZ 2.75Å; F504-K593 HydrophobicContact CB-CB 4.23Å; F504-K593 HydrophobicContact CB-CG 3.44Å; F504-K593 VanDerWaalsContact CB-CG 3.44Å; F504-K593 HydrophobicContact CD2-CG 4.34Å; F504-K593 HydrophobicContact CG-CB 4.44Å; F504-K593 HydrophobicContact CG-CG 4.07Å; E505-K593 WeakPolarHBondContact OE1-CE 3.46Å; E505-K593 IonicContact OE1-NZ 3.29Å; E505-K593 PolarHBondContact OE1-NZ 3.37Å; K593-H632 PolarHBondContact N-NE2 3.47Å
594	Q	97.6	Very high	95.6	Very high	124 Å²	124	34.4 Å²	34.4	58%	0.579	19%	0.186	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112.8	126.6	-178.6	-61.7	-58.2	-41.1	0	0	108.5	L592	L592-Q594 PolarHBondContact O-N 3.22Å
595	P	97.6	Very high	96	Very high	32 Å²	32	33.5 Å²	33.5	21%	0.208	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	140	170.5	-18.5	30.9	0	0	0	110.1	Y487 V553 L554	Y487-P595 HydrophobicContact CD1-CG 4.27Å; Y487-P595 HydrophobicContact CD2-CG 4.09Å; Y487-P595 HydrophobicContact CE1-CG 3.88Å; Y487-P595 HydrophobicContact CE2-CG 3.7Å; Y487-P595 HydrophobicContact CG-CG 4.37Å; V553-P595 HydrophobicContact CG1-CB 3.4Å; L554-P595 WeakPolarHBondContact O-CA 3.27Å
596	I	97.4	Very high	96.1	Very high	9 Å²	9	32.8 Å²	32.8	5%	0.046	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	120.9	-178.7	-63.1	174.2	0	0	0	108.8	V553 L554 L592 I598 V623 P626 S627	V553-I596 CarbonylContact C-O 3.46Å; V553-I596 WeakPolarHBondContact CA-O 3.35Å; L554-I596 HydrophobicContact CB-CB 4.25Å; L554-I596 PolarHBondContact N-O 2.91Å; L554-I596 PolarHBondContact O-N 2.91Å; L592-I596 HydrophobicContact CD1-CD1 4.06Å; I596-I598 HydrophobicContact CG2-CD1 4.01Å; I596-I598 PolarHBondContact O-N 2.74Å; I596-V623 HydrophobicContact CD1-CB 3.74Å; I596-V623 HydrophobicContact CD1-CG1 3.77Å; I596-V623 HydrophobicContact CD1-CG2 4.04Å; I596-P626 HydrophobicContact CG2-CG 4.23Å; I596-S627 WeakPolarHBondContact CG2-OG 3.35Å
597	S	95	Very high	96.1	Very high	81 Å²	81	35.4 Å²	35.4	57%	0.566	19%	0.186	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64.7	133.4	172.8	-58.4	0	0	0	0	110.4
598	I	93.9	Very high	96.1	Very high	5 Å²	5	35 Å²	35	3%	0.026	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	132.8	179.7	-56.6	-57.8	0	0	0	108	V548 N551 S552 L554 I596 D602 I604 P626	V548-I598 HydrophobicContact CB-CG2 4.03Å; V548-I598 HydrophobicContact CG1-CG2 4.12Å; V548-I598 HydrophobicContact CG2-CG2 4.08Å; N551-I598 CarbonylContact C-O 3.51Å; N551-I598 WeakPolarHBondContact CA-O 3.39Å; S552-I598 PolarHBondContact N-O 2.86Å; S552-I598 PolarHBondContact O-N 2.84Å; L554-I598 HydrophobicContact CB-CD1 4.06Å; L554-I598 HydrophobicContact CB-CG1 3.87Å; I596-I598 HydrophobicContact CG2-CD1 4.01Å; I596-I598 PolarHBondContact O-N 2.74Å; I598-D602 HydrophobicContact CG2-CB 4.24Å; I598-I604 HydrophobicContact CD1-CD1 3.92Å; I598-I604 HydrophobicContact CD1-CG1 3.7Å; I598-I604 HydrophobicContact CG1-CD1 4.13Å; I598-I604 HydrophobicContact CG1-CG1 4.42Å; I598-P626 HydrophobicContact CD1-CG 3.74Å
599	S	91	Very high	96.1	Very high	56 Å²	56	38.3 Å²	38.3	39%	0.392	20%	0.196	S	C	.	.			trans	-99.4	158.1	171.1	-43	0	0	0	0	109.9	N551 D601 D602	N551-S599 VanDerWaalsContact OD1-CA 3.29Å; N551-S599 WeakPolarHBondContact OD1-CA 3.03Å; S599-D601 PolarHBondContact O-N 2.95Å; S599-D601 VanDerWaalsContact O-N 3.09Å; S599-D602 WeakPolarHBondContact CA-OD2 3.45Å; S599-D602 VanDerWaalsContact CB-OD2 3.28Å; S599-D602 WeakPolarHBondContact CB-OD2 3.23Å; S599-D602 PolarHBondContact N-OD2 3.39Å; S599-D602 WeakPolarHBondContact O-CB 3.49Å; S599-D602 PolarHBondContact O-N 3.42Å; S599-D602 PolarHBondContact OG-OD2 3.37Å; S599-D602 VanDerWaalsContact OG-OD2 3.12Å
600	R	85.6	Confident	96.1	Very high	85 Å²	85	38.1 Å²	38.1	32%	0.321	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-28	178.7	172.9	177.5	-61.5	171.9	9.8	114.1	T185 E189 D549 N551	T185-R600 PolarHBondContact O-NH1 3.08Å; E189-R600 IonicContact OE1-NH2 3.02Å; D549-R600 WeakPolarHBondContact O-CG 3.47Å; D549-R600 PolarHBondContact O-NE 2.92Å; N551-R600 PolarHBondContact OD1-N 3.45Å
601	D	87.3	Confident	96.1	Very high	153 Å²	153	39.2 Å²	39.2	82%	0.818	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.1	4.6	-177.9	-56.8	-44.3	0	0	0	112.8	S599	S599-D601 PolarHBondContact O-N 2.95Å; S599-D601 VanDerWaalsContact O-N 3.09Å
602	D	92.3	Very high	96	Very high	42 Å²	42	41.4 Å²	41.4	23%	0.225	21%	0.214	C	C	.	.			trans	-81.5	140.9	-178.7	-71.1	-24.9	0	0	0	111.8	I598 S599 P626	I598-D602 HydrophobicContact CG2-CB 4.24Å; S599-D602 WeakPolarHBondContact CA-OD2 3.45Å; S599-D602 VanDerWaalsContact CB-OD2 3.28Å; S599-D602 WeakPolarHBondContact CB-OD2 3.23Å; S599-D602 PolarHBondContact N-OD2 3.39Å; S599-D602 WeakPolarHBondContact O-CB 3.49Å; S599-D602 PolarHBondContact O-N 3.42Å; S599-D602 PolarHBondContact OG-OD2 3.37Å; S599-D602 VanDerWaalsContact OG-OD2 3.12Å; D602-P626 HydrophobicContact CB-CB 4.08Å; D602-P626 HydrophobicContact CB-CG 4.13Å
603	D	95.4	Very high	95.8	Very high	52 Å²	52	46.1 Å²	46.1	28%	0.278	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	131	162.5	-86.9	-19	0	0	0	109.7	R545 F546 S547 E625	R545-D603 IonicContact CZ-OD2 3.04Å; R545-D603 IonicContact NE-OD2 3.26Å; R545-D603 IonicContact NH2-OD2 3.09Å; R545-D603 PolarHBondContact NH2-OD2 2.8Å; F546-D603 CarbonylContact O-C 3.42Å; F546-D603 WeakPolarHBondContact O-CA 3.38Å; S547-D603 WeakPolarHBondContact CA-OD1 3.46Å; S547-D603 WeakPolarHBondContact CB-OD1 3.28Å; S547-D603 PolarHBondContact OG-OD1 2.95Å; D603-E625 CarbonylContact O-C 3.41Å; D603-E625 WeakPolarHBondContact O-CB 3.44Å
604	I	98.3	Very high	95.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	111.8	168.9	-59.8	170.5	0	0	0	108.6	P480 L518 R545 F546 V548 L554 F557 I598 V623 E625	P480-I604 HydrophobicContact CB-CD1 3.8Å; P480-I604 HydrophobicContact CG-CD1 4.17Å; L518-I604 HydrophobicContact CD1-CD1 4.38Å; R545-I604 CarbonylContact C-O 3.51Å; R545-I604 VanDerWaalsContact CA-O 3.29Å; R545-I604 WeakPolarHBondContact CA-O 3.44Å; F546-I604 HydrophobicContact CB-CB 4.32Å; F546-I604 PolarHBondContact N-O 3.44Å; F546-I604 PolarHBondContact O-N 2.98Å; V548-I604 HydrophobicContact CG2-CD1 3.51Å; V548-I604 HydrophobicContact CG2-CG1 4.02Å; L554-I604 HydrophobicContact CD1-CD1 4.19Å; L554-I604 HydrophobicContact CD2-CD1 4.23Å; L554-I604 HydrophobicContact CD2-CG2 3.8Å; F557-I604 HydrophobicContact CE1-CG2 4.21Å; F557-I604 HydrophobicContact CZ-CG2 4.01Å; I598-I604 HydrophobicContact CD1-CD1 3.92Å; I598-I604 HydrophobicContact CD1-CG1 3.7Å; I598-I604 HydrophobicContact CG1-CD1 4.13Å; I598-I604 HydrophobicContact CG1-CG1 4.42Å; I604-V623 HydrophobicContact CG2-CG1 4.47Å; I604-E625 WeakPolarHBondContact CA-O 3.2Å
605	A	98.6	Very high	95.5	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	108.7	173.2	0	0	0	0	0	110.6	L544 R545 T624 E625	L544-A605 CarbonylContact O-C 3.55Å; L544-A605 WeakPolarHBondContact O-CA 3.31Å; R545-A605 HydrophobicContact CG-CB 4.16Å; A605-T624 PolarHBondContact O-N 2.9Å; A605-T624 PolarHBondContact O-OG1 2.81Å; A605-E625 HydrophobicContact CB-CB 3.73Å; A605-E625 HydrophobicContact CB-CG 3.93Å; A605-E625 PolarHBondContact N-O 3.34Å; A605-E625 VanDerWaalsContact N-O 3.11Å
606	V	98.8	Very high	95.5	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.006	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	140.4	176.6	71.2	0	0	0	0	111.1	C543 L544 F546 F557 F608 A622 V623	C543-V606 CarbonylContact C-O 3.45Å; C543-V606 WeakPolarHBondContact CA-O 3.32Å; L544-V606 HydrophobicContact CB-CG1 3.9Å; L544-V606 PolarHBondContact N-O 3.33Å; L544-V606 PolarHBondContact O-N 2.95Å; F546-V606 HydrophobicContact CE2-CG1 3.83Å; F557-V606 HydrophobicContact CD1-CG1 4.33Å; F557-V606 HydrophobicContact CD2-CG2 4.2Å; F557-V606 HydrophobicContact CE1-CB 3.76Å; F557-V606 HydrophobicContact CE1-CG1 3.74Å; F557-V606 HydrophobicContact CE1-CG2 4.01Å; F557-V606 HydrophobicContact CE2-CB 4.13Å; F557-V606 HydrophobicContact CE2-CG2 3.56Å; F557-V606 HydrophobicContact CZ-CB 3.47Å; F557-V606 VanDerWaalsContact CZ-CB 3.47Å; F557-V606 HydrophobicContact CZ-CG1 4.01Å; F557-V606 HydrophobicContact CZ-CG2 3.47Å; F557-V606 VanDerWaalsContact CZ-CG2 3.47Å; V606-F608 HydrophobicContact CG2-CD2 3.78Å; V606-F608 HydrophobicContact CG2-CE2 3.84Å; V606-A622 CarbonylContact C-O 3.57Å; V606-A622 WeakPolarHBondContact CA-O 3.29Å; V606-A622 WeakPolarHBondContact CG2-O 3.49Å; V606-V623 HydrophobicContact CG2-CG2 4.47Å
607	R	98.9	Very high	95.6	Very high	70 Å²	70	50.9 Å²	50.9	26%	0.264	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	131.3	173.7	-52.4	-57.9	-176.4	137.2	-3.7	108.4	Y541 Q542 C543 W609 W621 A622 T624	Y541-R607 HydrophobicContact CE2-CB 4.17Å; Y541-R607 WeakPolarHBondContact OH-CD 3.46Å; Y541-R607 PolarHBondContact OH-NH1 3.32Å; Q542-R607 WeakPolarHBondContact O-CA 3.28Å; C543-R607 VanDerWaalsContact SG-CD 3.52Å; C543-R607 PolarHBondContact SG-NE 2.75Å; R607-W609 HydrophobicContact CB-CE3 4.26Å; R607-W609 HydrophobicContact CB-CH2 3.21Å; R607-W609 HydrophobicContact CB-CZ2 3.92Å; R607-W609 HydrophobicContact CB-CZ3 3.41Å; R607-W609 VanDerWaalsContact CB-CZ3 3.41Å; R607-W609 HydrophobicContact CG-CH2 4Å; R607-W621 CarbonylContact O-C 3.57Å; R607-W621 VanDerWaalsContact O-CA 3.23Å; R607-W621 WeakPolarHBondContact O-CA 3.2Å; R607-A622 PolarHBondContact N-O 3.08Å; R607-A622 PolarHBondContact O-N 2.92Å; R607-T624 HydrophobicContact CG-CG2 3.76Å; R607-T624 PolarHBondContact NE-OG1 3.05Å
608	F	98.8	Very high	95.8	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.009	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	136.7	177.9	-105.8	-106.9	0	0	0	109.7	F446 L478 F525 Y541 Q542 F590 V606 W621	F446-F608 HydrophobicContact CZ-CE1 4.42Å; L478-F608 HydrophobicContact CD1-CB 4.42Å; L478-F608 HydrophobicContact CD1-CD1 3.96Å; L478-F608 HydrophobicContact CD1-CD2 3.49Å; L478-F608 VanDerWaalsContact CD1-CD2 3.49Å; L478-F608 HydrophobicContact CD1-CE1 4.02Å; L478-F608 HydrophobicContact CD1-CE2 3.57Å; L478-F608 HydrophobicContact CD1-CG 3.69Å; L478-F608 HydrophobicContact CD1-CZ 3.84Å; L478-F608 HydrophobicContact CD2-CE1 4.34Å; L478-F608 HydrophobicContact CD2-CE2 4.34Å; L478-F608 HydrophobicContact CD2-CZ 3.99Å; F525-F608 HydrophobicContact CZ-CB 3.92Å; Y541-F608 CarbonylContact C-O 3.58Å; Y541-F608 WeakPolarHBondContact CA-O 3.08Å; Q542-F608 PolarHBondContact N-O 3.17Å; Q542-F608 PolarHBondContact O-N 3.12Å; F590-F608 HydrophobicContact CB-CZ 3.87Å; F590-F608 AromaticContact CD1-CE1 3.84Å; F590-F608 HydrophobicContact CD1-CE1 3.84Å; F590-F608 AromaticContact CD1-CZ 3.87Å; F590-F608 HydrophobicContact CD1-CZ 3.87Å; F590-F608 HydrophobicContact CD2-CE1 4.02Å; F590-F608 AromaticContact CD2-CZ 3.87Å; F590-F608 HydrophobicContact CD2-CZ 3.87Å; F590-F608 AromaticContact CE1-CE1 3.86Å; F590-F608 HydrophobicContact CE1-CE1 3.86Å; F590-F608 HydrophobicContact CE1-CZ 4.36Å; F590-F608 HydrophobicContact CE2-CE1 4.04Å; F590-F608 HydrophobicContact CE2-CZ 4.35Å; F590-F608 AromaticContact CG-CE1 3.92Å; F590-F608 HydrophobicContact CG-CE1 3.92Å; F590-F608 AromaticContact CG-CZ 3.6Å; F590-F608 HydrophobicContact CG-CZ 3.6Å; F590-F608 AromaticContact CZ-CE1 3.97Å; F590-F608 HydrophobicContact CZ-CE1 3.97Å; V606-F608 HydrophobicContact CG2-CD2 3.78Å; V606-F608 HydrophobicContact CG2-CE2 3.84Å; F608-W621 HydrophobicContact CD1-CB 4.28Å; F608-W621 HydrophobicContact CD2-CB 3.56Å; F608-W621 HydrophobicContact CE1-CB 4.06Å; F608-W621 HydrophobicContact CE2-CB 3.29Å; F608-W621 AromaticContact CE2-CG 3.92Å; F608-W621 HydrophobicContact CE2-CG 3.92Å; F608-W621 HydrophobicContact CG-CB 4.06Å; F608-W621 HydrophobicContact CZ-CB 3.57Å; F608-W621 HydrophobicContact CZ-CD2 4.34Å; F608-W621 AromaticContact CZ-CG 3.88Å; F608-W621 HydrophobicContact CZ-CG 3.88Å
609	W	98.9	Very high	96	Very high	68 Å²	68	48 Å²	48	26%	0.258	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	141.7	175.1	-62.3	-99.9	0	0	0	109.9	R540 Y541 R607 Y619 E620 A622	R540-W609 CarbonylContact O-C 3.55Å; R540-W609 VanDerWaalsContact O-CA 3.32Å; R540-W609 WeakPolarHBondContact O-CA 3.47Å; Y541-W609 AromaticContact CD2-CD1 3.47Å; Y541-W609 VanDerWaalsContact CD2-CD1 3.47Å; Y541-W609 AromaticContact CD2-CD2 3.94Å; Y541-W609 HydrophobicContact CD2-CD2 3.94Å; Y541-W609 AromaticContact CD2-CE2 3.41Å; Y541-W609 VanDerWaalsContact CD2-CE2 3.41Å; Y541-W609 AromaticContact CD2-CG 3.99Å; Y541-W609 HydrophobicContact CD2-CG 3.99Å; Y541-W609 AromaticContact CD2-CZ2 3.99Å; Y541-W609 HydrophobicContact CD2-CZ2 3.99Å; Y541-W609 AromaticContact CD2-NE1 3.08Å; Y541-W609 HydrophobicContact CE2-CD2 4.24Å; Y541-W609 AromaticContact CE2-CE2 3.45Å; Y541-W609 VanDerWaalsContact CE2-CE2 3.45Å; Y541-W609 HydrophobicContact CE2-CH2 4.34Å; Y541-W609 AromaticContact CE2-CZ2 3.51Å; Y541-W609 HydrophobicContact CE2-CZ2 3.51Å; Y541-W609 AromaticContact CE2-NE1 3.52Å; Y541-W609 AromaticContact CG-NE1 3.85Å; R607-W609 HydrophobicContact CB-CE3 4.26Å; R607-W609 HydrophobicContact CB-CH2 3.21Å; R607-W609 HydrophobicContact CB-CZ2 3.92Å; R607-W609 HydrophobicContact CB-CZ3 3.41Å; R607-W609 VanDerWaalsContact CB-CZ3 3.41Å; R607-W609 HydrophobicContact CG-CH2 4Å; W609-Y619 VanDerWaalsContact O-CA 3.24Å; W609-Y619 WeakPolarHBondContact O-CA 3.4Å; W609-E620 HydrophobicContact CB-CB 4.24Å; W609-E620 HydrophobicContact CE3-CB 4.14Å; W609-E620 PolarHBondContact N-O 3.29Å; W609-E620 PolarHBondContact O-N 3.16Å; W609-A622 HydrophobicContact CH2-CB 4.47Å; W609-A622 HydrophobicContact CZ3-CB 4.17Å
610	R	98.8	Very high	96.4	Very high	1 Å²	1	46.8 Å²	46.8	0%	0.004	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	120	163.2	-172.5	-176.6	-171.5	-81.5	0.3	107.4	D448 E454 F525 N538 N539 R540 V617 Y619	D448-R610 VanDerWaalsContact OD2-CD 3.25Å; D448-R610 WeakPolarHBondContact OD2-CD 3.45Å; D448-R610 IonicContact OD2-CZ 2.73Å; D448-R610 IonicContact OD2-NE 3.55Å; D448-R610 PolarHBondContact OD2-NE 3.39Å; D448-R610 IonicContact OD2-NH2 3.95Å; E454-R610 VanDerWaalsContact CD-NH2 3.3Å; E454-R610 IonicContact OE1-CZ 3.57Å; E454-R610 VanDerWaalsContact OE1-CZ 3.3Å; E454-R610 IonicContact OE1-NH1 2.79Å; E454-R610 PolarHBondContact OE1-NH1 3.38Å; E454-R610 IonicContact OE1-NH2 2.69Å; E454-R610 PolarHBondContact OE1-NH2 2.95Å; E454-R610 IonicContact OE2-CZ 2.74Å; E454-R610 IonicContact OE2-NH1 3.18Å; E454-R610 IonicContact OE2-NH2 3.73Å; E454-R610 PolarHBondContact OE2-NH2 2.8Å; F525-R610 HydrophobicContact CD2-CB 4.27Å; F525-R610 HydrophobicContact CE2-CB 3.84Å; F525-R610 HydrophobicContact CZ-CB 4.23Å; N538-R610 WeakPolarHBondContact O-CD 3.47Å; N538-R610 PolarHBondContact O-NH1 2.99Å; N539-R610 VanDerWaalsContact CA-O 3.25Å; N539-R610 WeakPolarHBondContact CA-O 3.39Å; R540-R610 HydrophobicContact CB-CB 3.98Å; R540-R610 HydrophobicContact CG-CB 4.43Å; R540-R610 PolarHBondContact N-O 3.21Å; R540-R610 PolarHBondContact O-N 2.86Å; R610-V617 HydrophobicContact CG-CG1 4.25Å; R610-Y619 HydrophobicContact CB-CD1 4.17Å; R610-Y619 HydrophobicContact CB-CE1 4.15Å; R610-Y619 HydrophobicContact CG-CD1 4.2Å; R610-Y619 HydrophobicContact CG-CE1 3.84Å
611	C	98.6	Very high	97	Very high	23 Å²	23	42.7 Å²	42.7	16%	0.155	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	149.7	-170.2	-62	0	0	0	0	110.6	V617 W618	C611-V617 CarbonylContact O-C 3.13Å; C611-V617 VanDerWaalsContact O-CA 3.26Å; C611-V617 WeakPolarHBondContact O-CA 3.26Å; C611-V617 WeakPolarHBondContact O-CG1 3.32Å; C611-W618 HydrophobicContact CB-CD2 3.73Å; C611-W618 HydrophobicContact CB-CE3 4.27Å; C611-W618 HydrophobicContact CB-CG 4.21Å; C611-W618 HydrophobicContact CB-CH2 3.98Å; C611-W618 HydrophobicContact CB-CZ2 3.4Å; C611-W618 VanDerWaalsContact CB-CZ2 3.4Å; C611-W618 HydrophobicContact CB-CZ3 4.38Å; C611-W618 PolarHBondContact N-O 3.04Å; C611-W618 PolarHBondContact O-N 3.01Å
612	N	96.5	Very high	97.6	Very high	48 Å²	48	35.7 Å²	35.7	26%	0.257	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	143.2	-178.8	-175.6	-5.7	0	0	0	110	N539 G614 K616 V617	N539-N612 VanDerWaalsContact OD1-CB 3.24Å; N539-N612 WeakPolarHBondContact OD1-CB 3.42Å; N539-N612 PolarHBondContact OD1-N 3.15Å; N612-G614 PolarHBondContact OD1-N 2.97Å; N612-K616 WeakPolarHBondContact CA-O 3.44Å; N612-K616 PolarHBondContact OD1-O 2.93Å; N612-V617 HydrophobicContact CB-CG2 4.13Å
613	N	95.1	Very high	97.9	Very high	99 Å²	99	33.7 Å²	33.7	53%	0.529	17%	0.173	S	C	.	.			trans	-121.8	11.6	174.9	69.5	12.9	0	0	0	114.8	K615 K616 W618	N613-K615 VanDerWaalsContact C-N 3.32Å; N613-K615 PolarHBondContact OD1-N 3.37Å; N613-K616 PolarHBondContact N-O 3.42Å; N613-K616 PolarHBondContact OD1-N 2.67Å; N613-K616 PolarHBondContact OD1-O 3.48Å; N613-W618 HydrophobicContact CB-CH2 4.06Å; N613-W618 HydrophobicContact CB-CZ3 3.96Å
614	G	93.2	Very high	98	Very high	61 Å²	61	33.2 Å²	33.2	63%	0.629	17%	0.172	S	C	*	.	S	Bend	trans	86.4	-10	-176.3	0	0	0	0	0	114.9	N612	N612-G614 PolarHBondContact OD1-N 2.97Å
615	K	95.9	Very high	98	Very high	163 Å²	163	36.4 Å²	36.4	71%	0.709	19%	0.187	S	C	*	.	S	Bend	trans	-122.4	-29.3	175.4	-64.3	-176.8	179.3	-178.8	0	113.3	N613 L643	N613-K615 VanDerWaalsContact C-N 3.32Å; N613-K615 PolarHBondContact OD1-N 3.37Å; K615-L643 WeakPolarHBondContact O-CB 3.18Å; K615-L643 PolarHBondContact O-N 2.67Å
616	K	97.9	Very high	97.9	Very high	58 Å²	58	38.9 Å²	38.9	25%	0.252	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	146.8	-176.4	-64.3	-60.4	-177.7	-174.1	0	109.4	M322 N612 N613 W618 T640 I641 G642	M322-K616 PolarHBondContact SD-NZ 3.25Å; M322-K616 VanDerWaalsContact SD-NZ 3.38Å; N612-K616 WeakPolarHBondContact CA-O 3.44Å; N612-K616 PolarHBondContact OD1-O 2.93Å; N613-K616 PolarHBondContact N-O 3.42Å; N613-K616 PolarHBondContact OD1-N 2.67Å; N613-K616 PolarHBondContact OD1-O 3.48Å; K616-W618 WeakPolarHBondContact O-CZ3 3.36Å; K616-T640 HydrophobicContact CB-CG2 4.15Å; K616-T640 HydrophobicContact CG-CG2 4.36Å; K616-I641 WeakPolarHBondContact CA-O 3.22Å; K616-G642 VanDerWaalsContact NZ-CA 3.33Å
617	V	98.8	Very high	97.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	146.3	167	176.4	0	0	0	0	108.5	L451 R610 C611 N612 I641 L643	L451-V617 HydrophobicContact CD1-CG2 4.46Å; L451-V617 HydrophobicContact CD2-CB 3.6Å; L451-V617 HydrophobicContact CD2-CG1 3.81Å; L451-V617 HydrophobicContact CD2-CG2 3.85Å; R610-V617 HydrophobicContact CG-CG1 4.25Å; C611-V617 CarbonylContact O-C 3.13Å; C611-V617 VanDerWaalsContact O-CA 3.26Å; C611-V617 WeakPolarHBondContact O-CA 3.26Å; C611-V617 WeakPolarHBondContact O-CG1 3.32Å; N612-V617 HydrophobicContact CB-CG2 4.13Å; V617-I641 PolarHBondContact N-O 3.21Å; V617-I641 PolarHBondContact O-N 2.88Å; V617-L643 HydrophobicContact CG2-CD1 4.14Å; V617-L643 HydrophobicContact CG2-CD2 4.25Å; V617-L643 HydrophobicContact CG2-CG 4.14Å
618	W	98.8	Very high	97.8	Very high	24 Å²	24	43.2 Å²	43.2	9%	0.091	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	168	175.2	66.9	98.5	0	0	0	111.5	C611 N613 K616 E620 G636 Y639 T640	C611-W618 HydrophobicContact CB-CD2 3.73Å; C611-W618 HydrophobicContact CB-CE3 4.27Å; C611-W618 HydrophobicContact CB-CG 4.21Å; C611-W618 HydrophobicContact CB-CH2 3.98Å; C611-W618 HydrophobicContact CB-CZ2 3.4Å; C611-W618 VanDerWaalsContact CB-CZ2 3.4Å; C611-W618 HydrophobicContact CB-CZ3 4.38Å; C611-W618 PolarHBondContact N-O 3.04Å; C611-W618 PolarHBondContact O-N 3.01Å; N613-W618 HydrophobicContact CB-CH2 4.06Å; N613-W618 HydrophobicContact CB-CZ3 3.96Å; K616-W618 WeakPolarHBondContact O-CZ3 3.36Å; W618-E620 PolarHBondContact NE1-OE1 3.21Å; W618-G636 VanDerWaalsContact CD1-N 3.28Å; W618-G636 VanDerWaalsContact NE1-N 3.19Å; W618-Y639 WeakPolarHBondContact CB-O 3.36Å; W618-T640 HydrophobicContact CB-CG2 4.3Å
619	Y	98.9	Very high	97.8	Very high	1 Å²	1	44.5 Å²	44.5	0%	0.004	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	144.5	170.2	-54.8	-72.3	0	0	0	110.8	F446 D448 N449 F525 F590 W609 R610 N633 I641	F446-Y619 HydrophobicContact CD1-CE1 4.26Å; F446-Y619 HydrophobicContact CD1-CE2 4.48Å; F446-Y619 HydrophobicContact CE1-CE1 4.39Å; D448-Y619 WeakPolarHBondContact OD2-CE1 3.31Å; D448-Y619 PolarHBondContact OD2-OH 2.85Å; N449-Y619 WeakPolarHBondContact CA-OH 3.47Å; N449-Y619 HydrophobicContact CB-CE2 3.83Å; N449-Y619 VanDerWaalsContact CB-OH 3.29Å; N449-Y619 WeakPolarHBondContact CB-OH 3.46Å; N449-Y619 PolarHBondContact N-OH 2.67Å; F525-Y619 HydrophobicContact CD2-CE1 4.45Å; F525-Y619 HydrophobicContact CE2-CD1 4.19Å; F525-Y619 HydrophobicContact CE2-CE1 4.21Å; F590-Y619 HydrophobicContact CE1-CD2 4.04Å; F590-Y619 HydrophobicContact CE1-CG 4.3Å; F590-Y619 HydrophobicContact CZ-CD2 4.18Å; W609-Y619 VanDerWaalsContact O-CA 3.24Å; W609-Y619 WeakPolarHBondContact O-CA 3.4Å; R610-Y619 HydrophobicContact CB-CD1 4.17Å; R610-Y619 HydrophobicContact CB-CE1 4.15Å; R610-Y619 HydrophobicContact CG-CD1 4.2Å; R610-Y619 HydrophobicContact CG-CE1 3.84Å; Y619-N633 WeakPolarHBondContact O-CB 3.35Å; Y619-N633 PolarHBondContact O-ND2 3.01Å; Y619-I641 HydrophobicContact CE2-CD1 4Å
620	E	98.9	Very high	97.8	Very high	31 Å²	31	44.1 Å²	44.1	15%	0.145	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	146.3	165.1	-52	-173.2	-176.5	0	0	108.4	W609 W618 I631 H632 A635	W609-E620 HydrophobicContact CB-CB 4.24Å; W609-E620 HydrophobicContact CE3-CB 4.14Å; W609-E620 PolarHBondContact N-O 3.29Å; W609-E620 PolarHBondContact O-N 3.16Å; W618-E620 PolarHBondContact NE1-OE1 3.21Å; E620-I631 HydrophobicContact CB-CG2 4.13Å; E620-H632 WeakPolarHBondContact CA-O 2.98Å; E620-A635 PolarHBondContact OE1-N 3.35Å
621	W	98.9	Very high	97.8	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	149.6	176.7	64.6	98.2	0	0	0	113.4	F504 E505 F590 P591 R607 F608 H632 N633	F504-W621 WeakPolarHBondContact O-CZ2 3.35Å; E505-W621 VanDerWaalsContact C-CH2 3.45Å; F590-W621 HydrophobicContact CB-CZ2 4.46Å; F590-W621 HydrophobicContact CD1-CD2 4.14Å; F590-W621 AromaticContact CD1-CE3 3.87Å; F590-W621 HydrophobicContact CD1-CE3 3.87Å; F590-W621 HydrophobicContact CD1-CH2 4.04Å; F590-W621 HydrophobicContact CD1-CZ2 4.31Å; F590-W621 AromaticContact CD1-CZ3 3.83Å; F590-W621 HydrophobicContact CD1-CZ3 3.83Å; F590-W621 HydrophobicContact CE1-CE3 4.41Å; F590-W621 HydrophobicContact CE1-CZ3 4.29Å; P591-W621 PolarHBondContact O-NE1 2.82Å; R607-W621 CarbonylContact O-C 3.57Å; R607-W621 VanDerWaalsContact O-CA 3.23Å; R607-W621 WeakPolarHBondContact O-CA 3.2Å; F608-W621 HydrophobicContact CD1-CB 4.28Å; F608-W621 HydrophobicContact CD2-CB 3.56Å; F608-W621 HydrophobicContact CE1-CB 4.06Å; F608-W621 HydrophobicContact CE2-CB 3.29Å; F608-W621 AromaticContact CE2-CG 3.92Å; F608-W621 HydrophobicContact CE2-CG 3.92Å; F608-W621 HydrophobicContact CG-CB 4.06Å; F608-W621 HydrophobicContact CZ-CB 3.57Å; F608-W621 HydrophobicContact CZ-CD2 4.34Å; F608-W621 AromaticContact CZ-CG 3.88Å; F608-W621 HydrophobicContact CZ-CG 3.88Å; W621-H632 AromaticContact CD1-CG 3.95Å; W621-H632 AromaticContact CD1-ND1 3.83Å; W621-H632 HydrophobicContact CD2-CB 3.67Å; W621-H632 AromaticContact CE2-CG 3.78Å; W621-H632 HydrophobicContact CE3-CB 4.2Å; W621-H632 HydrophobicContact CG-CB 4.07Å; W621-H632 HydrophobicContact CH2-CB 4.23Å; W621-H632 HydrophobicContact CZ2-CB 3.69Å; W621-H632 HydrophobicContact CZ3-CB 4.44Å; W621-H632 PolarHBondContact N-O 3.04Å; W621-H632 AromaticContact NE1-CD2 3.96Å; W621-H632 AromaticContact NE1-CG 3.48Å; W621-H632 AromaticContact NE1-ND1 3.75Å; W621-H632 PolarHBondContact O-N 3.33Å; W621-H632 PolarHBondContact O-ND1 2.87Å; W621-N633 HydrophobicContact CH2-CB 4.45Å; W621-N633 HydrophobicContact CZ3-CB 4.06Å
622	A	98.9	Very high	97.8	Very high	5 Å²	5	47 Å²	47	4%	0.041	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	139.5	177.4	0	0	0	0	0	111.3	V606 R607 W609 I631	V606-A622 CarbonylContact C-O 3.57Å; V606-A622 WeakPolarHBondContact CA-O 3.29Å; V606-A622 WeakPolarHBondContact CG2-O 3.49Å; R607-A622 PolarHBondContact N-O 3.08Å; R607-A622 PolarHBondContact O-N 2.92Å; W609-A622 HydrophobicContact CH2-CB 4.47Å; W609-A622 HydrophobicContact CZ3-CB 4.17Å; A622-I631 HydrophobicContact CB-CG1 4.13Å
623	V	98.8	Very high	97.9	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.006	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	136.1	164.4	-177.2	0	0	0	0	107.9	L554 F557 L592 I596 I604 V606 E625 C628 S629	L554-V623 HydrophobicContact CD2-CG1 4.39Å; L554-V623 HydrophobicContact CD2-CG2 3.93Å; F557-V623 HydrophobicContact CE2-CG2 3.8Å; F557-V623 HydrophobicContact CZ-CG2 3.92Å; L592-V623 HydrophobicContact CD1-CG2 3.8Å; L592-V623 HydrophobicContact CD2-CG2 3.89Å; I596-V623 HydrophobicContact CD1-CB 3.74Å; I596-V623 HydrophobicContact CD1-CG1 3.77Å; I596-V623 HydrophobicContact CD1-CG2 4.04Å; I604-V623 HydrophobicContact CG2-CG1 4.47Å; V606-V623 HydrophobicContact CG2-CG2 4.47Å; V623-E625 WeakPolarHBondContact CG1-O 3.49Å; V623-C628 CarbonylContact O-C 3.56Å; V623-C628 VanDerWaalsContact O-CA 3.31Å; V623-C628 WeakPolarHBondContact O-CA 3.43Å; V623-S629 PolarHBondContact N-OG 3.45Å; V623-S629 PolarHBondContact O-N 2.7Å
624	T	98.6	Very high	98	Very high	42 Å²	42	41.9 Å²	41.9	26%	0.258	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	-20.1	-179.4	48.8	0	0	0	0	113.1	A605 R607	A605-T624 PolarHBondContact O-N 2.9Å; A605-T624 PolarHBondContact O-OG1 2.81Å; R607-T624 HydrophobicContact CG-CG2 3.76Å; R607-T624 PolarHBondContact NE-OG1 3.05Å
625	E	97.8	Very high	98.3	Very high	67 Å²	67	42.7 Å²	42.7	31%	0.313	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	146.5	174.2	-61.9	174	-149.5	0	0	108.9	R545 D603 I604 A605 V623 S627	R545-E625 IonicContact CZ-OE1 3.43Å; R545-E625 IonicContact CZ-OE2 3.75Å; R545-E625 IonicContact NH1-OE1 3.41Å; R545-E625 PolarHBondContact NH1-OE1 3.12Å; R545-E625 IonicContact NH1-OE2 3.34Å; R545-E625 PolarHBondContact NH1-OE2 2.92Å; R545-E625 IonicContact NH2-OE1 3.89Å; R545-E625 IonicContact NH2-OE2 2.73Å; R545-E625 PolarHBondContact NH2-OE2 3.46Å; D603-E625 CarbonylContact O-C 3.41Å; D603-E625 WeakPolarHBondContact O-CB 3.44Å; I604-E625 WeakPolarHBondContact CA-O 3.2Å; A605-E625 HydrophobicContact CB-CB 3.73Å; A605-E625 HydrophobicContact CB-CG 3.93Å; A605-E625 PolarHBondContact N-O 3.34Å; A605-E625 VanDerWaalsContact N-O 3.11Å; V623-E625 WeakPolarHBondContact CG1-O 3.49Å; E625-S627 VanDerWaalsContact C-N 3.34Å
626	P	96.3	Very high	98.4	Very high	52 Å²	52	35.4 Å²	35.4	34%	0.338	22%	0.223	S	C	.	.	S	Bend	cis	-76.1	-15.9	1.5	30.9	-36.2	0	0	0	113.9	I596 I598 D602	I596-P626 HydrophobicContact CG2-CG 4.23Å; I598-P626 HydrophobicContact CD1-CG 3.74Å; D602-P626 HydrophobicContact CB-CB 4.08Å; D602-P626 HydrophobicContact CB-CG 4.13Å
627	S	96.9	Very high	98.4	Very high	59 Å²	59	39.2 Å²	39.2	41%	0.413	24%	0.236	S	C	.	.	S	Bend	trans	-136.1	150.5	171.1	63.9	0	0	0	0	111.3	I596 E625	I596-S627 WeakPolarHBondContact CG2-OG 3.35Å; E625-S627 VanDerWaalsContact C-N 3.34Å
628	C	98.3	Very high	98.3	Very high	103 Å²	103	40.8 Å²	40.8	70%	0.696	25%	0.247	S	C	*	.	P	Polyproline II helix	trans	-74.7	130.2	-178.2	-70.5	0	0	0	0	111.5	V623	V623-C628 CarbonylContact O-C 3.56Å; V623-C628 VanDerWaalsContact O-CA 3.31Å; V623-C628 WeakPolarHBondContact O-CA 3.43Å
629	S	98.7	Very high	98.3	Very high	28 Å²	28	40.7 Å²	40.7	20%	0.196	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-85.6	168.4	160.8	77.7	0	0	0	0	110.7	V623	V623-S629 PolarHBondContact N-OG 3.45Å; V623-S629 PolarHBondContact O-N 2.7Å
630	A	98.5	Very high	98.3	Very high	60 Å²	60	42.8 Å²	42.8	50%	0.496	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-61.8	157.9	159.3	0	0	0	0	0	110.4	H632	A630-H632 PolarHBondContact O-CE1 3.47Å; A630-H632 PolarHBondContact O-N 2.76Å; A630-H632 PolarHBondContact O-ND1 3.07Å
631	I	98.8	Very high	98.2	Very high	83 Å²	83	41.4 Å²	41.4	43%	0.426	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-69.2	123.5	162.1	-63.6	171.2	0	0	0	107.2	E620 A622 P634	E620-I631 HydrophobicContact CB-CG2 4.13Å; A622-I631 HydrophobicContact CB-CG1 4.13Å; I631-P634 HydrophobicContact CG2-CB 4.41Å
632	H	98.9	Very high	98.1	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-87.3	141.7	177.1	-63.6	75.3	0	0	0	109.8	F504 E505 K593 E620 W621 A630	F504-H632 PolarHBondContact O-CD2 3.48Å; E505-H632 HydrophobicContact CG-CB 4.19Å; K593-H632 PolarHBondContact N-NE2 3.47Å; E620-H632 WeakPolarHBondContact CA-O 2.98Å; W621-H632 AromaticContact CD1-CG 3.95Å; W621-H632 AromaticContact CD1-ND1 3.83Å; W621-H632 HydrophobicContact CD2-CB 3.67Å; W621-H632 AromaticContact CE2-CG 3.78Å; W621-H632 HydrophobicContact CE3-CB 4.2Å; W621-H632 HydrophobicContact CG-CB 4.07Å; W621-H632 HydrophobicContact CH2-CB 4.23Å; W621-H632 HydrophobicContact CZ2-CB 3.69Å; W621-H632 HydrophobicContact CZ3-CB 4.44Å; W621-H632 PolarHBondContact N-O 3.04Å; W621-H632 AromaticContact NE1-CD2 3.96Å; W621-H632 AromaticContact NE1-CG 3.48Å; W621-H632 AromaticContact NE1-ND1 3.75Å; W621-H632 PolarHBondContact O-N 3.33Å; W621-H632 PolarHBondContact O-ND1 2.87Å; A630-H632 PolarHBondContact O-CE1 3.47Å; A630-H632 PolarHBondContact O-N 2.76Å; A630-H632 PolarHBondContact O-ND1 3.07Å
633	N	98.7	Very high	97.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	27%	0.266	C	S	.	.	S	Bend	trans	56	41.8	179.7	-164.6	34.8	0	0	0	115.4	E505 Y619 W621 A635 G636 R637 S638 Y639	E505-N633 HydrophobicContact CB-CB 4.07Å; E505-N633 WeakPolarHBondContact O-CB 3.45Å; Y619-N633 WeakPolarHBondContact O-CB 3.35Å; Y619-N633 PolarHBondContact O-ND2 3.01Å; W621-N633 HydrophobicContact CH2-CB 4.45Å; W621-N633 HydrophobicContact CZ3-CB 4.06Å; N633-A635 PolarHBondContact O-N 2.94Å; N633-G636 PolarHBondContact O-N 2.66Å; N633-G636 WeakPolarHBondContact OD1-CA 3.23Å; N633-R637 PolarHBondContact OD1-N 3.09Å; N633-S638 PolarHBondContact OD1-N 3Å; N633-Y639 PolarHBondContact ND2-O 3.32Å; N633-Y639 PolarHBondContact OD1-N 3.42Å; N633-Y639 PolarHBondContact OD1-O 3.49Å
634	P	98.6	Very high	97.8	Very high	41 Å²	41	46.1 Å²	46.1	27%	0.266	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-58.5	132.1	-178.2	27.6	-35.6	0	0	0	110.7	I631 G636 R637	I631-P634 HydrophobicContact CG2-CB 4.41Å; P634-G636 PolarHBondContact O-N 2.85Å; P634-G636 VanDerWaalsContact O-N 3.13Å; P634-R637 HydrophobicContact CG-CG 4.3Å; P634-R637 WeakPolarHBondContact O-CB 3.24Å; P634-R637 PolarHBondContact O-N 3.24Å
635	A	98.1	Very high	97.8	Very high	78 Å²	78	46.3 Å²	46.3	65%	0.645	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	54.8	23.5	-176	0	0	0	0	0	114.7	E620 N633 R637	E620-A635 PolarHBondContact OE1-N 3.35Å; N633-A635 PolarHBondContact O-N 2.94Å; A635-R637 VanDerWaalsContact C-N 3.3Å; A635-R637 PolarHBondContact O-N 2.99Å
636	G	98.1	Very high	97.8	Very high	9 Å²	9	45.1 Å²	45.1	9%	0.093	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	70.1	24.4	179.9	0	0	0	0	0	113.6	W618 N633 P634 S638 T640	W618-G636 VanDerWaalsContact CD1-N 3.28Å; W618-G636 VanDerWaalsContact NE1-N 3.19Å; N633-G636 PolarHBondContact O-N 2.66Å; N633-G636 WeakPolarHBondContact OD1-CA 3.23Å; P634-G636 PolarHBondContact O-N 2.85Å; P634-G636 VanDerWaalsContact O-N 3.13Å; G636-S638 PolarHBondContact O-N 3.28Å; G636-S638 VanDerWaalsContact O-N 3.17Å; G636-T640 VanDerWaalsContact O-CG2 3.28Å; G636-T640 WeakPolarHBondContact O-CG2 3.09Å
637	R	97.8	Very high	97.9	Very high	139 Å²	139	44.7 Å²	44.7	53%	0.525	27%	0.274	S	S	.	.	S	Bend	trans	-60.7	-27	-173.4	69.6	172.3	-179.2	-171.1	-7.1	114.7	E505 N633 P634 A635	E505-R637 IonicContact OE1-CZ 3.79Å; E505-R637 IonicContact OE1-NE 2.7Å; E505-R637 PolarHBondContact OE1-NE 2.95Å; E505-R637 IonicContact OE1-NH2 2.77Å; E505-R637 PolarHBondContact OE1-NH2 2.91Å; E505-R637 IonicContact OE2-CZ 3.61Å; E505-R637 IonicContact OE2-NE 2.65Å; E505-R637 PolarHBondContact OE2-NE 3.27Å; E505-R637 IonicContact OE2-NH2 3.63Å; N633-R637 PolarHBondContact OD1-N 3.09Å; P634-R637 HydrophobicContact CG-CG 4.3Å; P634-R637 WeakPolarHBondContact O-CB 3.24Å; P634-R637 PolarHBondContact O-N 3.24Å; A635-R637 VanDerWaalsContact C-N 3.3Å; A635-R637 PolarHBondContact O-N 2.99Å
638	S	97.8	Very high	98	Very high	32 Å²	32	43.8 Å²	43.8	22%	0.224	27%	0.266	C	S	.	.	S	Bend	trans	-109.9	-36.8	-174.9	-66.3	0	0	0	0	111.9	E505 N633 G636	E505-S638 VanDerWaalsContact CB-CB 3.44Å; E505-S638 WeakPolarHBondContact CB-OG 3.48Å; E505-S638 PolarHBondContact OE2-OG 3.44Å; N633-S638 PolarHBondContact OD1-N 3Å; G636-S638 PolarHBondContact O-N 3.28Å; G636-S638 VanDerWaalsContact O-N 3.17Å
639	Y	98.3	Very high	97.9	Very high	23 Å²	23	39.9 Å²	39.9	9%	0.09	24%	0.237	C	C	.	.			trans	-140.2	130.9	-179.9	-175.6	-99.6	0	0	0	111.8	Q319 T506 P507 W618 N633 I641	Q319-Y639 PolarHBondContact NE2-OH 3.22Å; T506-Y639 HydrophobicContact CG2-CD2 3.78Å; T506-Y639 HydrophobicContact CG2-CE2 4.41Å; T506-Y639 HydrophobicContact CG2-CG 4.34Å; P507-Y639 HydrophobicContact CG-CD1 3.85Å; P507-Y639 HydrophobicContact CG-CE1 3.68Å; P507-Y639 HydrophobicContact CG-CE2 4.44Å; P507-Y639 HydrophobicContact CG-CG 4.3Å; W618-Y639 WeakPolarHBondContact CB-O 3.36Å; N633-Y639 PolarHBondContact ND2-O 3.32Å; N633-Y639 PolarHBondContact OD1-N 3.42Å; N633-Y639 PolarHBondContact OD1-O 3.49Å; Y639-I641 HydrophobicContact CE1-CD1 4.25Å; Y639-I641 HydrophobicContact CE1-CG1 3.65Å
640	T	98.3	Very high	97.9	Very high	44 Å²	44	40.7 Å²	40.7	27%	0.27	24%	0.24	S	C	.	.			trans	-137.8	157.5	170.3	56	0	0	0	0	110.2	Q319 K616 W618 G636	Q319-T640 PolarHBondContact NE2-O 3.12Å; K616-T640 HydrophobicContact CB-CG2 4.15Å; K616-T640 HydrophobicContact CG-CG2 4.36Å; W618-T640 HydrophobicContact CB-CG2 4.3Å; G636-T640 VanDerWaalsContact O-CG2 3.28Å; G636-T640 WeakPolarHBondContact O-CG2 3.09Å
641	I	98.2	Very high	97.8	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	124.1	174.8	-45.1	159.8	0	0	0	107.1	Q319 N449 L451 K616 V617 Y619 Y639	Q319-I641 HydrophobicContact CG-CG2 4.19Å; N449-I641 HydrophobicContact CB-CD1 4.45Å; N449-I641 WeakPolarHBondContact O-CD1 3.45Å; L451-I641 HydrophobicContact CD1-CB 4.15Å; L451-I641 HydrophobicContact CD1-CG2 3.62Å; L451-I641 HydrophobicContact CD2-CB 4.04Å; L451-I641 HydrophobicContact CD2-CD1 4.1Å; L451-I641 HydrophobicContact CD2-CG2 3.84Å; L451-I641 HydrophobicContact CG-CB 4.27Å; L451-I641 HydrophobicContact CG-CG2 3.58Å; K616-I641 WeakPolarHBondContact CA-O 3.22Å; V617-I641 PolarHBondContact N-O 3.21Å; V617-I641 PolarHBondContact O-N 2.88Å; Y619-I641 HydrophobicContact CE2-CD1 4Å; Y639-I641 HydrophobicContact CE1-CD1 4.25Å; Y639-I641 HydrophobicContact CE1-CG1 3.65Å
642	G	96.3	Very high	97.8	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	124.4	-177.3	0	0	0	0	0	114.1	L451 K616	L451-G642 VanDerWaalsContact CD1-O 3.31Å; L451-G642 WeakPolarHBondContact CD1-O 3.45Å; K616-G642 VanDerWaalsContact NZ-CA 3.33Å
643	L	94	Very high	97.7	Very high	57 Å²	57	38.7 Å²	38.7	30%	0.298	22%	0.221	S	C	.	.			trans	-75.4	0	164.5	-73.2	167	0	0	0	111.2	L321 R427 L451 E454 K615 V617	L321-L643 WeakPolarHBondContact CD2-OXT 3.44Å; R427-L643 PolarHBondContact NH1-OXT 3.49Å; R427-L643 PolarHBondContact NH2-OXT 2.85Å; L451-L643 HydrophobicContact CD1-CD2 3.75Å; L451-L643 HydrophobicContact CD1-CG 4.13Å; E454-L643 HydrophobicContact CB-CD2 3.6Å; E454-L643 HydrophobicContact CG-CD2 3.65Å; K615-L643 WeakPolarHBondContact O-CB 3.18Å; K615-L643 PolarHBondContact O-N 2.67Å; V617-L643 HydrophobicContact CG2-CD1 4.14Å; V617-L643 HydrophobicContact CG2-CD2 4.25Å; V617-L643 HydrophobicContact CG2-CG 4.14Å

Retrieved 643 of 643 residues in 906.1 ms (Link to these results)

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