A0A077Z4J2_TRITR Loading...

KDEL motif containing protein 1

Protein O-glucosyltransferase. Catalyzes the reaction that attaches glucose through an O-glycosidic linkage to a conserved serine residue found in the consensus sequence C-X-S-X-[PA]-C in epidermal growth factor-like repeats. Regulates Notch signaling by glucosylating Notch in the ER, glucosylation is required for the correct folding and cleavage of Notch.

AlphaFold DB , UniProt , Accession A0A077Z4J2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 511 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	33.1	Very low	33.8	Very low	246 Å²	246	146.7 Å²	146.7	100%	1.212	84%	0.835	S	S	*	*				0	143.9	0	-80.6	-175.5	-130.1	0	0	107.9
2	A	35.8	Very low	33.8	Very low	88 Å²	88	143.4 Å²	143.4	73%	0.727	83%	0.828	S	S	*	*			trans	77.9	82	-173.5	0	0	0	0	0	115
3	G	32.7	Very low	33.9	Very low	81 Å²	81	136.8 Å²	136.8	84%	0.835	81%	0.81	S	S	*	*			trans	-69.9	122.9	161.7	0	0	0	0	0	109.9
4	F	35.2	Very low	34.1	Very low	199 Å²	199	135.7 Å²	135.7	87%	0.873	80%	0.797	S	S	*	*			trans	-100.2	112.3	170.7	-100.6	-93.5	0	0	0	108.6	A6	F4-A6 PolarHBondContact O-N 3.35Å
5	Q	35.4	Very low	34.3	Very low	194 Å²	194	139 Å²	139	91%	0.907	80%	0.798	S	S	*	*			trans	-61.2	120.2	174.3	-75.7	171.2	-44.3	0	0	109.9	A7	Q5-A7 PolarHBondContact O-N 3.12Å; Q5-A7 VanDerWaalsContact O-N 3.12Å
6	A	34.6	Very low	34.5	Very low	95 Å²	95	141.6 Å²	141.6	79%	0.785	79%	0.793	S	S	*	*			trans	-69.9	102.1	171.9	0	0	0	0	0	109.6	F4 L8	F4-A6 PolarHBondContact O-N 3.35Å; A6-L8 PolarHBondContact O-N 3Å; A6-L8 VanDerWaalsContact O-N 3.09Å
7	A	34	Very low	34.8	Very low	81 Å²	81	141.9 Å²	141.9	67%	0.669	79%	0.791	S	S	*	*			trans	-70.7	98.1	170	0	0	0	0	0	109.4	Q5 F9	Q5-A7 PolarHBondContact O-N 3.12Å; Q5-A7 VanDerWaalsContact O-N 3.12Å; A7-F9 HydrophobicContact CB-CD2 4.41Å; A7-F9 HydrophobicContact CB-CE2 4.31Å; A7-F9 PolarHBondContact O-N 3.09Å
8	L	32.4	Very low	35.1	Very low	142 Å²	142	143.7 Å²	143.7	74%	0.743	79%	0.79	S	S	*	*			trans	-68.1	90.5	169.3	-81	154.3	0	0	0	109.3	A6 F10	A6-L8 PolarHBondContact O-N 3Å; A6-L8 VanDerWaalsContact O-N 3.09Å; L8-F10 VanDerWaalsContact C-N 3.31Å; L8-F10 HydrophobicContact CB-CD2 4.26Å; L8-F10 HydrophobicContact CB-CE2 4.24Å; L8-F10 PolarHBondContact O-N 2.98Å
9	F	32.4	Very low	35.1	Very low	192 Å²	192	141.7 Å²	141.7	84%	0.842	79%	0.787	S	S	*	*			trans	-68.7	90.2	164.3	-84	-88.1	0	0	0	108.9	A7 S11	A7-F9 HydrophobicContact CB-CD2 4.41Å; A7-F9 HydrophobicContact CB-CE2 4.31Å; A7-F9 PolarHBondContact O-N 3.09Å; F9-S11 VanDerWaalsContact C-N 3.33Å; F9-S11 PolarHBondContact O-N 2.98Å
10	F	32.6	Very low	35.3	Very low	182 Å²	182	144.5 Å²	144.5	80%	0.798	79%	0.785	S	S	*	*			trans	-66.5	96.2	163.4	-87.1	-88.5	0	0	0	108.2	L8 S12	L8-F10 VanDerWaalsContact C-N 3.31Å; L8-F10 HydrophobicContact CB-CD2 4.26Å; L8-F10 HydrophobicContact CB-CE2 4.24Å; L8-F10 PolarHBondContact O-N 2.98Å; F10-S12 PolarHBondContact O-N 2.84Å
11	S	33.1	Very low	35.8	Very low	114 Å²	114	143.3 Å²	143.3	80%	0.797	78%	0.783	S	S	*	*			trans	-61.1	101.7	166.1	59.4	0	0	0	0	108.1	F9 G13	F9-S11 VanDerWaalsContact C-N 3.33Å; F9-S11 PolarHBondContact O-N 2.98Å; S11-G13 PolarHBondContact O-N 2.8Å
12	S	34.7	Very low	36.6	Very low	107 Å²	107	140.2 Å²	140.2	75%	0.748	76%	0.762	S	S	*	*			trans	-65.9	77.7	166.1	41.8	0	0	0	0	108.7	F10 L14	F10-S12 PolarHBondContact O-N 2.84Å; S12-L14 VanDerWaalsContact C-N 3.25Å; S12-L14 PolarHBondContact O-N 2.83Å
13	G	34.8	Very low	37.9	Very low	57 Å²	57	139.5 Å²	139.5	59%	0.588	76%	0.757	S	S	*	*			trans	-59.2	95.4	162.7	0	0	0	0	0	107.4	S11 F15	S11-G13 PolarHBondContact O-N 2.8Å; G13-F15 VanDerWaalsContact C-N 3.29Å; G13-F15 PolarHBondContact O-N 2.98Å
14	L	36.7	Very low	39.8	Very low	122 Å²	122	137.4 Å²	137.4	64%	0.639	73%	0.731	S	S	*	*			trans	-54.2	100	167.5	-110.3	81.3	0	0	0	106.6	S12 Y16	S12-L14 VanDerWaalsContact C-N 3.25Å; S12-L14 PolarHBondContact O-N 2.83Å; L14-Y16 HydrophobicContact CB-CD2 3.98Å; L14-Y16 HydrophobicContact CB-CE2 4.2Å; L14-Y16 HydrophobicContact CD2-CD2 3.8Å; L14-Y16 HydrophobicContact CD2-CE2 3.19Å; L14-Y16 HydrophobicContact CG-CD2 4.47Å; L14-Y16 HydrophobicContact CG-CE2 4.28Å; L14-Y16 PolarHBondContact O-N 2.82Å
15	F	36.9	Very low	42.2	Very low	185 Å²	185	132.2 Å²	132.2	81%	0.811	72%	0.716	S	S	*	*			trans	-62.3	78.8	158.4	-87.1	-94.5	0	0	0	107	G13 L17	G13-F15 VanDerWaalsContact C-N 3.29Å; G13-F15 PolarHBondContact O-N 2.98Å; F15-L17 PolarHBondContact O-N 2.76Å
16	Y	38.3	Very low	45	Very low	180 Å²	180	124.9 Å²	124.9	71%	0.706	68%	0.682	S	S	*	*			trans	-66.3	75.6	151.8	-84.6	-77.4	0	0	0	106.2	L14 F18	L14-Y16 HydrophobicContact CB-CD2 3.98Å; L14-Y16 HydrophobicContact CB-CE2 4.2Å; L14-Y16 HydrophobicContact CD2-CD2 3.8Å; L14-Y16 HydrophobicContact CD2-CE2 3.19Å; L14-Y16 HydrophobicContact CG-CD2 4.47Å; L14-Y16 HydrophobicContact CG-CE2 4.28Å; L14-Y16 PolarHBondContact O-N 2.82Å; Y16-F18 WeakPolarHBondContact O-CD2 3.46Å; Y16-F18 PolarHBondContact O-N 2.78Å
17	L	39.3	Very low	47.9	Very low	147 Å²	147	122.6 Å²	122.6	77%	0.77	66%	0.661	S	S	*	*			trans	-59.4	87.7	154.9	-85.4	155.8	0	0	0	105	F15 S19	F15-L17 PolarHBondContact O-N 2.76Å; L17-S19 VanDerWaalsContact C-N 3.27Å; L17-S19 PolarHBondContact O-N 2.81Å
18	F	39.8	Very low	50.9	Low	174 Å²	174	124.5 Å²	124.5	76%	0.763	65%	0.651	S	S	*	*			trans	-50.1	104.6	158.6	-80.8	-90.9	0	0	0	105	Y16 R20	Y16-F18 WeakPolarHBondContact O-CD2 3.46Å; Y16-F18 PolarHBondContact O-N 2.78Å; F18-R20 PolarHBondContact O-N 2.71Å
19	S	35.3	Very low	54	Low	107 Å²	107	118 Å²	118	75%	0.748	62%	0.618	S	S	*	*			trans	-62.8	77.4	156.2	48.8	0	0	0	0	105.9	L17 V21	L17-S19 VanDerWaalsContact C-N 3.27Å; L17-S19 PolarHBondContact O-N 2.81Å; S19-V21 PolarHBondContact O-N 2.85Å
20	R	38.8	Very low	57.2	Low	197 Å²	197	111.7 Å²	111.7	74%	0.743	59%	0.592	S	S	*	*			trans	-57.7	95.8	151.7	-77.9	-173.2	173.2	-170.3	-0.6	103	F18 F22	F18-R20 PolarHBondContact O-N 2.71Å; R20-F22 HydrophobicContact CB-CE2 4.43Å; R20-F22 WeakPolarHBondContact O-CD2 3.35Å; R20-F22 PolarHBondContact O-N 2.88Å
21	V	46.6	Very low	60.3	Low	120 Å²	120	103.4 Å²	103.4	73%	0.727	56%	0.557	S	S	*	*			trans	-55.6	94.3	161.5	177.9	0	0	0	0	103.2	S19 A23	S19-V21 PolarHBondContact O-N 2.85Å; V21-A23 PolarHBondContact O-N 3.38Å
22	F	49.8	Very low	63.4	Low	180 Å²	180	101.5 Å²	101.5	79%	0.789	53%	0.532	S	S	*	.			trans	-58.8	113.3	171.8	-82.3	-89.2	0	0	0	104.1	R20 A24	R20-F22 HydrophobicContact CB-CE2 4.43Å; R20-F22 WeakPolarHBondContact O-CD2 3.35Å; R20-F22 PolarHBondContact O-N 2.88Å; F22-A24 PolarHBondContact O-N 2.8Å; F22-A24 VanDerWaalsContact O-N 3.15Å
23	A	63.6	Low	66.3	Low	74 Å²	74	96.7 Å²	96.7	61%	0.612	50%	0.499	S	S	*	.			trans	-51.5	125.7	169.2	0	0	0	0	0	106.4	V21 V25	V21-A23 PolarHBondContact O-N 3.38Å; A23-V25 PolarHBondContact O-N 3.47Å
24	A	70.9	Confident	69.2	Low	36 Å²	36	94.2 Å²	94.2	30%	0.298	47%	0.473	S	S	.	.			trans	-53.4	129.7	-176.4	0	0	0	0	0	109	F22 I26 I60	F22-A24 PolarHBondContact O-N 2.8Å; F22-A24 VanDerWaalsContact O-N 3.15Å; A24-I26 PolarHBondContact O-N 3.28Å; A24-I26 VanDerWaalsContact O-N 3.13Å; A24-I60 HydrophobicContact CB-CD1 4.02Å; A24-I60 HydrophobicContact CB-CG1 4.09Å
25	V	87.1	Confident	72	Confident	91 Å²	91	88.6 Å²	88.6	55%	0.552	44%	0.444	S	S	*	.			trans	-74.1	112.6	-178.2	-179.7	0	0	0	0	107.7	A23 S27 D54 E55	A23-V25 PolarHBondContact O-N 3.47Å; V25-S27 PolarHBondContact O-N 3.17Å; V25-D54 WeakPolarHBondContact O-CA 3.41Å; V25-E55 WeakPolarHBondContact CB-OE2 3.46Å; V25-E55 VanDerWaalsContact O-OE2 3.11Å
26	I	93.9	Very high	74.9	Confident	39 Å²	39	80.9 Å²	80.9	20%	0.2	41%	0.411	C	S	.	.			trans	-67.1	107.6	179.4	-54.4	169.5	0	0	0	108.5	A24 L52 I60 Q64 A68 L119	A24-I26 PolarHBondContact O-N 3.28Å; A24-I26 VanDerWaalsContact O-N 3.13Å; I26-L52 HydrophobicContact CD1-CD1 3.79Å; I26-L52 HydrophobicContact CG1-CD1 4.11Å; I26-L52 HydrophobicContact CG2-CD1 4.39Å; I26-L52 HydrophobicContact CG2-CD2 4.12Å; I26-I60 HydrophobicContact CG1-CD1 4.07Å; I26-Q64 HydrophobicContact CD1-CB 4.18Å; I26-Q64 HydrophobicContact CD1-CG 4.21Å; I26-Q64 HydrophobicContact CG1-CG 4.39Å; I26-A68 HydrophobicContact CD1-CB 4.1Å; I26-L119 HydrophobicContact CG2-CD1 3.71Å; I26-L119 HydrophobicContact CG2-CD2 4.24Å
27	S	94.9	Very high	77.6	Confident	48 Å²	48	76.2 Å²	76.2	34%	0.336	40%	0.396	S	S	.	.			trans	-87.1	-48.1	-179	178.8	0	0	0	0	111.4	V25 V53 D54	V25-S27 PolarHBondContact O-N 3.17Å; S27-V53 PolarHBondContact N-O 2.76Å; S27-D54 VanDerWaalsContact CB-O 3.26Å; S27-D54 WeakPolarHBondContact CB-O 3.5Å
28	R	97.1	Very high	80.3	Confident	120 Å²	120	69.9 Å²	69.9	45%	0.453	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	171.6	-179.4	68.6	-179.2	-177.4	115.7	0.8	112.3	V53 L119	R28-V53 HydrophobicContact CG-CB 3.82Å; R28-V53 HydrophobicContact CG-CG1 4.26Å; R28-V53 HydrophobicContact CG-CG2 4.4Å; R28-V53 PolarHBondContact N-O 3.49Å; R28-V53 PolarHBondContact O-N 3.07Å; R28-L119 CarbonylContact C-O 3.48Å; R28-L119 WeakPolarHBondContact CA-O 3.33Å; R28-L119 WeakPolarHBondContact CB-O 3.32Å
29	A	98.2	Very high	82.9	Confident	7 Å²	7	62.6 Å²	62.6	6%	0.058	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	129.1	177.6	0	0	0	0	0	110.8	V50 Q51 L52 V111 L119	A29-V50 HydrophobicContact CB-CG1 3.82Å; A29-Q51 WeakPolarHBondContact CA-O 3.38Å; A29-L52 HydrophobicContact CB-CD2 4.26Å; A29-V111 HydrophobicContact CB-CB 4.13Å; A29-V111 HydrophobicContact CB-CG1 3.86Å; A29-L119 HydrophobicContact CB-CB 3.92Å; A29-L119 PolarHBondContact N-O 2.59Å
30	I	98.1	Very high	85.6	Confident	58 Å²	58	61.7 Å²	61.7	30%	0.297	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	122.4	170.6	-59	170.8	0	0	0	107.8	Y32 V50 Q51 V53	I30-Y32 HydrophobicContact CG2-CD1 4.22Å; I30-V50 CarbonylContact O-C 3.56Å; I30-V50 WeakPolarHBondContact O-CA 3.45Å; I30-Q51 HydrophobicContact CB-CB 4.3Å; I30-Q51 PolarHBondContact N-O 2.67Å; I30-Q51 PolarHBondContact O-N 3.15Å; I30-V53 HydrophobicContact CD1-CG2 3.6Å; I30-V53 HydrophobicContact CG1-CG2 3.81Å
31	V	98.4	Very high	88.3	Confident	9 Å²	9	52.6 Å²	52.6	6%	0.055	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	127.5	-178.9	-163.7	0	0	0	0	109.5	I36 F48 F49 V50 V111 Y123	V31-I36 HydrophobicContact CG1-CD1 4.02Å; V31-I36 HydrophobicContact CG1-CG1 3.84Å; V31-F48 HydrophobicContact CG1-CD2 3.44Å; V31-F48 VanDerWaalsContact CG1-CD2 3.44Å; V31-F48 HydrophobicContact CG1-CE2 3.74Å; V31-F48 HydrophobicContact CG1-CG 4.39Å; V31-F49 WeakPolarHBondContact CA-O 3.47Å; V31-V50 HydrophobicContact CG1-CG2 4.43Å; V31-V111 HydrophobicContact CG2-CG2 3.7Å; V31-Y123 HydrophobicContact CB-CD2 4.36Å; V31-Y123 HydrophobicContact CB-CE2 3.62Å; V31-Y123 HydrophobicContact CG1-CE2 4.3Å; V31-Y123 HydrophobicContact CG2-CD2 4.5Å; V31-Y123 HydrophobicContact CG2-CE2 3.68Å
32	Y	97.4	Very high	90.6	Very high	74 Å²	74	48.2 Å²	48.2	29%	0.29	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	168	-174.7	65.7	-79.7	0	0	0	112.1	I30 F48 F49 Q51 K450	I30-Y32 HydrophobicContact CG2-CD1 4.22Å; Y32-F48 CarbonylContact O-C 3.3Å; Y32-F48 WeakPolarHBondContact O-CA 3.26Å; Y32-F48 WeakPolarHBondContact O-CB 3.38Å; Y32-F49 HydrophobicContact CD1-CB 4.12Å; Y32-F49 HydrophobicContact CD2-CB 4.3Å; Y32-F49 HydrophobicContact CD2-CD2 4.17Å; Y32-F49 HydrophobicContact CE1-CB 3.71Å; Y32-F49 HydrophobicContact CE2-CB 3.92Å; Y32-F49 AromaticContact CE2-CD2 3.94Å; Y32-F49 HydrophobicContact CE2-CD2 3.94Å; Y32-F49 HydrophobicContact CE2-CG 4.17Å; Y32-F49 HydrophobicContact CG-CB 4.41Å; Y32-F49 PolarHBondContact N-O 3.14Å; Y32-F49 PolarHBondContact O-N 2.92Å; Y32-Q51 HydrophobicContact CE1-CB 4.15Å; Y32-K450 VanDerWaalsContact CE2-NZ 3.25Å; Y32-K450 VanDerWaalsContact CZ-NZ 3.27Å; Y32-K450 PolarHBondContact OH-NZ 2.99Å
33	G	96.1	Very high	92.7	Very high	5 Å²	5	39.8 Å²	39.8	5%	0.052	22%	0.218	C	C	.	.	S	Bend	trans	113.1	175.2	-179.2	0	0	0	0	0	113.8	A35 I36 E37	G33-A35 VanDerWaalsContact C-N 3.34Å; G33-A35 PolarHBondContact O-N 2.7Å; G33-I36 PolarHBondContact O-N 2.83Å; G33-E37 PolarHBondContact N-OE1 3.13Å; G33-E37 PolarHBondContact O-N 2.84Å
34	P	96.2	Very high	94	Very high	6 Å²	6	36.4 Å²	36.4	4%	0.039	19%	0.191	C	C	.	.	H	α-helix	trans	-60.2	-38	-162.5	-27.2	35.8	0	0	0	114.6	I36 V38 L41 Y47	P34-I36 PolarHBondContact O-N 3.04Å; P34-V38 HydrophobicContact CB-CG2 4.27Å; P34-V38 CarbonylContact O-C 3.56Å; P34-V38 VanDerWaalsContact O-C 3.29Å; P34-V38 WeakPolarHBondContact O-CA 3.29Å; P34-V38 WeakPolarHBondContact O-CG2 3.41Å; P34-V38 PolarHBondContact O-N 3.15Å; P34-L41 HydrophobicContact CB-CD2 4.48Å; P34-Y47 HydrophobicContact CG-CE1 4.2Å; P34-Y47 HydrophobicContact CG-CE2 3.8Å
35	A	96.1	Very high	95	Very high	4 Å²	4	34.9 Å²	34.9	3%	0.033	18%	0.178	C	C	.	.	H	α-helix	trans	-65.1	-27.5	179.8	0	0	0	0	0	113.2	G33 P39 R46 Y47 F48 L125	G33-A35 VanDerWaalsContact C-N 3.34Å; G33-A35 PolarHBondContact O-N 2.7Å; A35-P39 WeakPolarHBondContact O-CA 3.47Å; A35-P39 WeakPolarHBondContact O-CG 3.27Å; A35-R46 HydrophobicContact CB-CB 3.96Å; A35-Y47 VanDerWaalsContact CB-O 3.22Å; A35-Y47 WeakPolarHBondContact CB-O 3.35Å; A35-Y47 PolarHBondContact N-O 3.14Å; A35-F48 HydrophobicContact CB-CB 4.29Å; A35-F48 HydrophobicContact CB-CD1 3.99Å; A35-L125 WeakPolarHBondContact O-CD2 3.1Å
36	I	96.9	Very high	95.4	Very high	23 Å²	23	30.8 Å²	30.8	12%	0.118	15%	0.153	C	C	.	.	H	α-helix	trans	-89.6	-46.2	179.3	-56.9	-57.1	0	0	0	110.8	V31 G33 P34 F48 Y123 L125	V31-I36 HydrophobicContact CG1-CD1 4.02Å; V31-I36 HydrophobicContact CG1-CG1 3.84Å; G33-I36 PolarHBondContact O-N 2.83Å; P34-I36 PolarHBondContact O-N 3.04Å; I36-F48 HydrophobicContact CD1-CB 4.34Å; I36-F48 HydrophobicContact CD1-CD1 4.24Å; I36-F48 HydrophobicContact CD1-CD2 4.31Å; I36-F48 HydrophobicContact CD1-CG 4.07Å; I36-F48 HydrophobicContact CG1-CB 3.67Å; I36-F48 HydrophobicContact CG1-CD1 4.48Å; I36-F48 HydrophobicContact CG1-CD2 4.27Å; I36-F48 HydrophobicContact CG1-CG 3.93Å; I36-Y123 HydrophobicContact CD1-CG 4.3Å; I36-Y123 HydrophobicContact CG2-CD1 3.42Å; I36-Y123 VanDerWaalsContact CG2-CD1 3.42Å; I36-Y123 HydrophobicContact CG2-CE1 3.72Å; I36-Y123 HydrophobicContact CG2-CG 4.06Å; I36-L125 HydrophobicContact CD1-CD2 3.85Å
37	E	95.8	Very high	95.5	Very high	82 Å²	82	29.1 Å²	29.1	38%	0.383	14%	0.144	S	C	.	.	H	α-helix	trans	-78.8	-32	-171.7	-68.6	162.8	-159.5	0	0	113	G33	G33-E37 PolarHBondContact N-OE1 3.13Å; G33-E37 PolarHBondContact O-N 2.84Å
38	V	95.3	Very high	95.6	Very high	13 Å²	13	26.8 Å²	26.8	8%	0.079	13%	0.128	C	C	.	.			trans	-138.7	64	-179.4	-68.6	0	0	0	0	110.6	P34 K40 L41 T149	P34-V38 HydrophobicContact CB-CG2 4.27Å; P34-V38 CarbonylContact O-C 3.56Å; P34-V38 VanDerWaalsContact O-C 3.29Å; P34-V38 WeakPolarHBondContact O-CA 3.29Å; P34-V38 WeakPolarHBondContact O-CG2 3.41Å; P34-V38 PolarHBondContact O-N 3.15Å; V38-K40 PolarHBondContact O-N 2.78Å; V38-L41 HydrophobicContact CB-CB 4.41Å; V38-L41 HydrophobicContact CG2-CB 4.01Å; V38-L41 HydrophobicContact CG2-CD2 4.1Å; V38-L41 VanDerWaalsContact O-CB 3.24Å; V38-L41 WeakPolarHBondContact O-CB 3.25Å; V38-L41 PolarHBondContact O-N 3.25Å; V38-T149 WeakPolarHBondContact CG1-O 3.45Å
39	P	94.2	Very high	95.6	Very high	21 Å²	21	21.6 Å²	21.6	14%	0.136	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-28.5	-171.8	-23.1	32.4	0	0	0	114.8	A35 L41 L125 L132	A35-P39 WeakPolarHBondContact O-CA 3.47Å; A35-P39 WeakPolarHBondContact O-CG 3.27Å; P39-L41 PolarHBondContact O-N 3.38Å; P39-L125 HydrophobicContact CB-CB 4.06Å; P39-L125 HydrophobicContact CG-CD2 4.36Å; P39-L132 HydrophobicContact CB-CD2 4.27Å
40	K	92.1	Very high	95.6	Very high	89 Å²	89	21.2 Å²	21.2	39%	0.387	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-18.1	175.7	70.5	173.1	-173.5	164.4	0	114	V38 V42 D127 T149	V38-K40 PolarHBondContact O-N 2.78Å; K40-V42 PolarHBondContact O-N 2.97Å; K40-D127 HydrophobicContact CB-CB 3.74Å; K40-T149 HydrophobicContact CD-CG2 4.16Å; K40-T149 WeakPolarHBondContact CE-OG1 3.06Å; K40-T149 HydrophobicContact CG-CG2 3.83Å; K40-T149 PolarHBondContact NZ-OG1 2.8Å
41	L	95.2	Very high	95.6	Very high	6 Å²	6	19.6 Å²	19.6	3%	0.031	10%	0.096	C	C	.	.			trans	-67.9	115.2	176.9	-175.7	69.4	0	0	0	109.8	P34 V38 P39 L43 R46 W146 T149 A150 R456	P34-L41 HydrophobicContact CB-CD2 4.48Å; V38-L41 HydrophobicContact CB-CB 4.41Å; V38-L41 HydrophobicContact CG2-CB 4.01Å; V38-L41 HydrophobicContact CG2-CD2 4.1Å; V38-L41 VanDerWaalsContact O-CB 3.24Å; V38-L41 WeakPolarHBondContact O-CB 3.25Å; V38-L41 PolarHBondContact O-N 3.25Å; P39-L41 PolarHBondContact O-N 3.38Å; L41-L43 HydrophobicContact CD2-CD1 4.11Å; L41-L43 HydrophobicContact CD2-CG 4.31Å; L41-L43 HydrophobicContact CG-CG 4.29Å; L41-R46 PolarHBondContact O-NE 3.26Å; L41-W146 HydrophobicContact CD1-CZ2 3.85Å; L41-T149 HydrophobicContact CB-CG2 4.27Å; L41-T149 HydrophobicContact CD1-CG2 4.24Å; L41-A150 HydrophobicContact CD1-CB 3.89Å; L41-A150 HydrophobicContact CD2-CB 4.32Å; L41-R456 HydrophobicContact CD2-CG 3.99Å
42	V	94.6	Very high	95.6	Very high	27 Å²	27	19.1 Å²	19.1	16%	0.164	9%	0.094	C	C	.	.			trans	-83.7	124.6	176.9	-176.6	0	0	0	0	109.6	K40 D133 K229	K40-V42 PolarHBondContact O-N 2.97Å; V42-D133 HydrophobicContact CG2-CB 4.03Å; V42-K229 HydrophobicContact CB-CG 4.34Å; V42-K229 HydrophobicContact CG1-CG 4.45Å; V42-K229 VanDerWaalsContact O-CD 3.24Å; V42-K229 WeakPolarHBondContact O-CD 3.43Å; V42-K229 WeakPolarHBondContact O-CE 3.46Å
43	L	94.6	Very high	95.6	Very high	3 Å²	3	15.6 Å²	15.6	2%	0.016	8%	0.08	C	C	.	.			trans	-135.6	153.9	172.4	-66.2	173.9	0	0	0	109	L41 A45 Y47 P455 R456 Y459	L41-L43 HydrophobicContact CD2-CD1 4.11Å; L41-L43 HydrophobicContact CD2-CG 4.31Å; L41-L43 HydrophobicContact CG-CG 4.29Å; L43-A45 VanDerWaalsContact C-N 3.26Å; L43-A45 PolarHBondContact O-N 2.99Å; L43-Y47 HydrophobicContact CD1-CD1 4.46Å; L43-Y47 HydrophobicContact CD1-CE1 3.92Å; L43-P455 HydrophobicContact CD1-CB 4.45Å; L43-R456 HydrophobicContact CD1-CB 4.26Å; L43-Y459 HydrophobicContact CD2-CD2 4.15Å; L43-Y459 HydrophobicContact CD2-CE2 4.31Å; L43-Y459 HydrophobicContact CD2-CG 4.34Å
44	P	91.9	Very high	95.6	Very high	4 Å²	4	16.7 Å²	16.7	3%	0.026	9%	0.085	C	C	.	.	S	Bend	trans	-51.9	-46.4	176.2	-26.8	33.2	0	0	0	112.9	D135 L283 T285 Y459	P44-D135 WeakPolarHBondContact CA-OD1 3.26Å; P44-D135 WeakPolarHBondContact CD-OD1 3.38Å; P44-D135 WeakPolarHBondContact CG-OD1 3.43Å; P44-L283 HydrophobicContact CG-CD2 4.11Å; P44-T285 HydrophobicContact CB-CG2 4.22Å; P44-Y459 VanDerWaalsContact CD-OH 3.25Å; P44-Y459 WeakPolarHBondContact CD-OH 3.34Å; P44-Y459 HydrophobicContact CG-CE2 4.36Å; P44-Y459 WeakPolarHBondContact CG-OH 3.31Å
45	A	91.9	Very high	95.6	Very high	4 Å²	4	21.4 Å²	21.4	3%	0.033	11%	0.106	C	C	.	.	S	Bend	trans	-124.7	117.1	166.9	0	0	0	0	0	108.3	L43 R97 V99	L43-A45 VanDerWaalsContact C-N 3.26Å; L43-A45 PolarHBondContact O-N 2.99Å; A45-R97 HydrophobicContact CB-CG 3.85Å; A45-V99 HydrophobicContact CB-CG2 3.88Å
46	R	94.7	Very high	95.5	Very high	5 Å²	5	28.4 Å²	28.4	2%	0.019	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	149.7	167.4	-70.4	179.6	174.4	82.1	-7.3	108.4	A35 L41 R97 L98 D133	A35-R46 HydrophobicContact CB-CB 3.96Å; L41-R46 PolarHBondContact O-NE 3.26Å; R46-R97 CarbonylContact O-C 3.52Å; R46-L98 HydrophobicContact CB-CB 4.2Å; R46-L98 WeakPolarHBondContact CB-O 3.41Å; R46-L98 PolarHBondContact N-O 3.48Å; R46-L98 PolarHBondContact O-N 3Å; R46-D133 VanDerWaalsContact CZ-O 3.26Å; R46-D133 PolarHBondContact NH1-O 3.22Å; R46-D133 PolarHBondContact NH2-O 3.08Å
47	Y	95.5	Very high	95.4	Very high	3 Å²	3	29.2 Å²	29.2	1%	0.012	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	154.5	179.7	63.5	-81.1	0	0	0	112.4	P34 A35 L43 F49 V96 L294 M454 P455 R456 E457	P34-Y47 HydrophobicContact CG-CE1 4.2Å; P34-Y47 HydrophobicContact CG-CE2 3.8Å; A35-Y47 VanDerWaalsContact CB-O 3.22Å; A35-Y47 WeakPolarHBondContact CB-O 3.35Å; A35-Y47 PolarHBondContact N-O 3.14Å; L43-Y47 HydrophobicContact CD1-CD1 4.46Å; L43-Y47 HydrophobicContact CD1-CE1 3.92Å; Y47-F49 AromaticContact CD2-CE2 3.83Å; Y47-F49 HydrophobicContact CD2-CE2 3.83Å; Y47-F49 AromaticContact CD2-CZ 3.76Å; Y47-F49 HydrophobicContact CD2-CZ 3.76Å; Y47-F49 AromaticContact CE2-CE2 3.88Å; Y47-F49 HydrophobicContact CE2-CE2 3.88Å; Y47-F49 AromaticContact CE2-CZ 3.9Å; Y47-F49 HydrophobicContact CE2-CZ 3.9Å; Y47-V96 WeakPolarHBondContact CA-O 3.34Å; Y47-V96 WeakPolarHBondContact CB-O 3.22Å; Y47-L294 HydrophobicContact CD2-CD2 4.2Å; Y47-L294 HydrophobicContact CG-CD1 4.11Å; Y47-L294 HydrophobicContact CG-CD2 4.23Å; Y47-M454 HydrophobicContact CD2-CE 3.68Å; Y47-M454 HydrophobicContact CE2-CB 4Å; Y47-M454 HydrophobicContact CE2-CE 3.57Å; Y47-M454 HydrophobicContact CE2-CG 4.26Å; Y47-M454 HydrophobicContact CG-CE 4.2Å; Y47-M454 WeakPolarHBondContact OH-CB 3.49Å; Y47-P455 HydrophobicContact CD1-CG 4.27Å; Y47-P455 HydrophobicContact CE1-CB 3.94Å; Y47-P455 HydrophobicContact CE1-CG 3.98Å; Y47-R456 WeakPolarHBondContact OH-CB 3.31Å; Y47-R456 PolarHBondContact OH-N 3.24Å; Y47-E457 PolarHBondContact OH-OE2 3.25Å
48	F	97.5	Very high	95.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	171.5	172.3	62.8	-89.6	0	0	0	109.5	V31 Y32 A35 I36 V50 V71 I73 V96 V109	V31-F48 HydrophobicContact CG1-CD2 3.44Å; V31-F48 VanDerWaalsContact CG1-CD2 3.44Å; V31-F48 HydrophobicContact CG1-CE2 3.74Å; V31-F48 HydrophobicContact CG1-CG 4.39Å; Y32-F48 CarbonylContact O-C 3.3Å; Y32-F48 WeakPolarHBondContact O-CA 3.26Å; Y32-F48 WeakPolarHBondContact O-CB 3.38Å; A35-F48 HydrophobicContact CB-CB 4.29Å; A35-F48 HydrophobicContact CB-CD1 3.99Å; I36-F48 HydrophobicContact CD1-CB 4.34Å; I36-F48 HydrophobicContact CD1-CD1 4.24Å; I36-F48 HydrophobicContact CD1-CD2 4.31Å; I36-F48 HydrophobicContact CD1-CG 4.07Å; I36-F48 HydrophobicContact CG1-CB 3.67Å; I36-F48 HydrophobicContact CG1-CD1 4.48Å; I36-F48 HydrophobicContact CG1-CD2 4.27Å; I36-F48 HydrophobicContact CG1-CG 3.93Å; F48-V50 HydrophobicContact CD2-CG2 4.26Å; F48-V50 HydrophobicContact CE2-CG2 4.03Å; F48-V71 HydrophobicContact CE2-CG1 4.28Å; F48-V71 HydrophobicContact CZ-CG1 3.85Å; F48-I73 HydrophobicContact CE1-CD1 4.47Å; F48-V96 HydrophobicContact CD1-CB 4Å; F48-V96 HydrophobicContact CD1-CG1 4.17Å; F48-V96 HydrophobicContact CD2-CB 3.88Å; F48-V96 HydrophobicContact CD2-CG2 4.01Å; F48-V96 HydrophobicContact CE1-CB 3.71Å; F48-V96 HydrophobicContact CE1-CG1 3.44Å; F48-V96 VanDerWaalsContact CE1-CG1 3.44Å; F48-V96 HydrophobicContact CE2-CB 3.59Å; F48-V96 HydrophobicContact CE2-CG1 3.94Å; F48-V96 HydrophobicContact CE2-CG2 3.52Å; F48-V96 HydrophobicContact CG-CB 4.1Å; F48-V96 HydrophobicContact CZ-CB 3.52Å; F48-V96 HydrophobicContact CZ-CG1 3.32Å; F48-V96 HydrophobicContact CZ-CG2 3.84Å; F48-V96 PolarHBondContact N-O 2.85Å; F48-V96 PolarHBondContact O-N 2.89Å; F48-V109 HydrophobicContact CE1-CG1 4.4Å; F48-V109 HydrophobicContact CE2-CG1 4.13Å; F48-V109 HydrophobicContact CZ-CG1 3.64Å
49	F	97.3	Very high	95.6	Very high	10 Å²	10	34.8 Å²	34.8	4%	0.044	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	146.1	-174.2	-55.2	-80.3	0	0	0	109.4	V31 Y32 Y47 Y94 N95 L294 K450 M454	V31-F49 WeakPolarHBondContact CA-O 3.47Å; Y32-F49 HydrophobicContact CD1-CB 4.12Å; Y32-F49 HydrophobicContact CD2-CB 4.3Å; Y32-F49 HydrophobicContact CD2-CD2 4.17Å; Y32-F49 HydrophobicContact CE1-CB 3.71Å; Y32-F49 HydrophobicContact CE2-CB 3.92Å; Y32-F49 AromaticContact CE2-CD2 3.94Å; Y32-F49 HydrophobicContact CE2-CD2 3.94Å; Y32-F49 HydrophobicContact CE2-CG 4.17Å; Y32-F49 HydrophobicContact CG-CB 4.41Å; Y32-F49 PolarHBondContact N-O 3.14Å; Y32-F49 PolarHBondContact O-N 2.92Å; Y47-F49 AromaticContact CD2-CE2 3.83Å; Y47-F49 HydrophobicContact CD2-CE2 3.83Å; Y47-F49 AromaticContact CD2-CZ 3.76Å; Y47-F49 HydrophobicContact CD2-CZ 3.76Å; Y47-F49 AromaticContact CE2-CE2 3.88Å; Y47-F49 HydrophobicContact CE2-CE2 3.88Å; Y47-F49 AromaticContact CE2-CZ 3.9Å; Y47-F49 HydrophobicContact CE2-CZ 3.9Å; F49-Y94 WeakPolarHBondContact CA-O 3.46Å; F49-N95 WeakPolarHBondContact CD1-OD1 3.31Å; F49-N95 WeakPolarHBondContact CE1-OD1 3.32Å; F49-L294 HydrophobicContact CE1-CD2 4.37Å; F49-K450 VanDerWaalsContact CD1-NZ 3.31Å; F49-K450 VanDerWaalsContact CD2-CE 3.44Å; F49-K450 HydrophobicContact CE1-CD 4.21Å; F49-K450 HydrophobicContact CE1-CG 4.43Å; F49-K450 HydrophobicContact CE2-CD 4.34Å; F49-K450 HydrophobicContact CE2-CG 4.29Å; F49-K450 HydrophobicContact CZ-CD 4.06Å; F49-K450 HydrophobicContact CZ-CG 3.9Å; F49-M454 HydrophobicContact CZ-CE 4.17Å
50	V	98.3	Very high	95.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	115.8	174.2	-178.3	0	0	0	0	107.7	A29 I30 V31 F48 L52 I69 S93 Y94 V96 V111	A29-V50 HydrophobicContact CB-CG1 3.82Å; I30-V50 CarbonylContact O-C 3.56Å; I30-V50 WeakPolarHBondContact O-CA 3.45Å; V31-V50 HydrophobicContact CG1-CG2 4.43Å; F48-V50 HydrophobicContact CD2-CG2 4.26Å; F48-V50 HydrophobicContact CE2-CG2 4.03Å; V50-L52 HydrophobicContact CG1-CD2 4.14Å; V50-I69 HydrophobicContact CB-CD1 4.28Å; V50-I69 HydrophobicContact CG1-CD1 3.9Å; V50-S93 CarbonylContact O-C 3.29Å; V50-S93 WeakPolarHBondContact O-CA 3.41Å; V50-S93 WeakPolarHBondContact O-CB 3.42Å; V50-Y94 PolarHBondContact N-O 3.5Å; V50-Y94 PolarHBondContact O-N 2.95Å; V50-V96 HydrophobicContact CG2-CG2 3.97Å; V50-V111 HydrophobicContact CG1-CG1 4.11Å; V50-V111 HydrophobicContact CG1-CG2 4.24Å; V50-V111 HydrophobicContact CG2-CG2 3.97Å
51	Q	98	Very high	95.8	Very high	23 Å²	23	35.2 Å²	35.2	11%	0.107	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	122.8	171.4	174.2	63.6	60.5	0	0	109	A29 I30 Y32 N59 I60 G92	A29-Q51 WeakPolarHBondContact CA-O 3.38Å; I30-Q51 HydrophobicContact CB-CB 4.3Å; I30-Q51 PolarHBondContact N-O 2.67Å; I30-Q51 PolarHBondContact O-N 3.15Å; Y32-Q51 HydrophobicContact CE1-CB 4.15Å; Q51-N59 HydrophobicContact CG-CB 4.29Å; Q51-I60 PolarHBondContact NE2-O 2.98Å; Q51-G92 PolarHBondContact NE2-O 2.85Å
52	L	98.2	Very high	95.6	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	144.6	175.1	-57	-173.6	0	0	0	111.1	I26 A29 V50 I60 Q64 I69 G92 Y94	I26-L52 HydrophobicContact CD1-CD1 3.79Å; I26-L52 HydrophobicContact CG1-CD1 4.11Å; I26-L52 HydrophobicContact CG2-CD1 4.39Å; I26-L52 HydrophobicContact CG2-CD2 4.12Å; A29-L52 HydrophobicContact CB-CD2 4.26Å; V50-L52 HydrophobicContact CG1-CD2 4.14Å; L52-I60 HydrophobicContact CB-CB 4.15Å; L52-I60 HydrophobicContact CB-CD1 3.67Å; L52-I60 HydrophobicContact CB-CG1 4.25Å; L52-I60 HydrophobicContact CD1-CD1 4.49Å; L52-I60 PolarHBondContact O-N 3.49Å; L52-Q64 HydrophobicContact CD1-CB 4.16Å; L52-Q64 HydrophobicContact CD1-CG 3.75Å; L52-I69 HydrophobicContact CD1-CG2 4.38Å; L52-I69 HydrophobicContact CD2-CG2 3.71Å; L52-G92 WeakPolarHBondContact CB-O 3.07Å; L52-G92 WeakPolarHBondContact CG-O 3.3Å; L52-G92 PolarHBondContact N-O 2.96Å; L52-G92 VanDerWaalsContact N-O 3.12Å; L52-Y94 HydrophobicContact CD1-CD2 4.48Å; L52-Y94 HydrophobicContact CD1-CE2 3.61Å; L52-Y94 HydrophobicContact CD2-CE2 4.43Å; L52-Y94 HydrophobicContact CG-CD2 4.34Å; L52-Y94 HydrophobicContact CG-CE2 3.93Å
53	V	98	Very high	95.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	135.4	-178.7	-176.4	0	0	0	0	109	S27 R28 I30 M58	S27-V53 PolarHBondContact N-O 2.76Å; R28-V53 HydrophobicContact CG-CB 3.82Å; R28-V53 HydrophobicContact CG-CG1 4.26Å; R28-V53 HydrophobicContact CG-CG2 4.4Å; R28-V53 PolarHBondContact N-O 3.49Å; R28-V53 PolarHBondContact O-N 3.07Å; I30-V53 HydrophobicContact CD1-CG2 3.6Å; I30-V53 HydrophobicContact CG1-CG2 3.81Å; V53-M58 WeakPolarHBondContact CA-O 3.37Å; V53-M58 WeakPolarHBondContact CG1-O 3.43Å
54	D	96.1	Very high	95.5	Very high	28 Å²	28	43.9 Å²	43.9	15%	0.15	23%	0.234	C	C	.	.			trans	-79.3	178.7	178.8	69.3	17.2	0	0	0	112.9	V25 S27 H56 G57 M58 I60	V25-D54 WeakPolarHBondContact O-CA 3.41Å; S27-D54 VanDerWaalsContact CB-O 3.26Å; S27-D54 WeakPolarHBondContact CB-O 3.5Å; D54-H56 PolarHBondContact O-N 3.38Å; D54-H56 WeakPolarHBondContact OD1-CA 3.16Å; D54-H56 WeakPolarHBondContact OD1-CB 3.21Å; D54-H56 PolarHBondContact OD1-N 2.91Å; D54-G57 PolarHBondContact O-N 2.91Å; D54-G57 VanDerWaalsContact O-N 3.14Å; D54-G57 PolarHBondContact OD1-N 2.83Å; D54-M58 PolarHBondContact N-O 3.01Å; D54-M58 PolarHBondContact OD1-N 3.37Å; D54-I60 HydrophobicContact CB-CG1 4.22Å
55	E	95.1	Very high	95.5	Very high	105 Å²	105	45 Å²	45	49%	0.491	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-19.5	177.6	63.7	-91.4	-143.9	0	0	114.2	V25	V25-E55 WeakPolarHBondContact CB-OE2 3.46Å; V25-E55 VanDerWaalsContact O-OE2 3.11Å
56	H	95.2	Very high	95.4	Very high	150 Å²	150	51.6 Å²	51.6	69%	0.694	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-1.3	178	-57.4	-56	0	0	0	112.8	D54 M58	D54-H56 PolarHBondContact O-N 3.38Å; D54-H56 WeakPolarHBondContact OD1-CA 3.16Å; D54-H56 WeakPolarHBondContact OD1-CB 3.21Å; D54-H56 PolarHBondContact OD1-N 2.91Å; H56-M58 VanDerWaalsContact C-N 3.33Å; H56-M58 HydrophobicContact CB-CG 4.34Å
57	G	95.1	Very high	95.3	Very high	41 Å²	41	56.2 Å²	56.2	42%	0.423	30%	0.299	S	S	.	.	S	Bend	trans	81.9	11.2	-178.6	0	0	0	0	0	113.8	D54	D54-G57 PolarHBondContact O-N 2.91Å; D54-G57 VanDerWaalsContact O-N 3.14Å; D54-G57 PolarHBondContact OD1-N 2.83Å
58	M	97.1	Very high	95.2	Very high	124 Å²	124	56.9 Å²	56.9	61%	0.611	31%	0.306	S	S	*	.	P	Polyproline II helix	trans	-91.8	143.7	179.4	-58.7	-62.1	-70.1	0	0	110.7	V53 D54 H56 I60	V53-M58 WeakPolarHBondContact CA-O 3.37Å; V53-M58 WeakPolarHBondContact CG1-O 3.43Å; D54-M58 PolarHBondContact N-O 3.01Å; D54-M58 PolarHBondContact OD1-N 3.37Å; H56-M58 VanDerWaalsContact C-N 3.33Å; H56-M58 HydrophobicContact CB-CG 4.34Å; M58-I60 PolarHBondContact O-N 3.06Å
59	N	97.2	Very high	95.2	Very high	87 Å²	87	57.4 Å²	57.4	47%	0.465	31%	0.308	S	S	.	.	B	Isolated β-bridge	trans	-63.9	126.3	173.6	-73.7	-5.9	0	0	0	109.4	Q51 T61	Q51-N59 HydrophobicContact CG-CB 4.29Å; N59-T61 PolarHBondContact O-N 2.85Å
60	I	96.7	Very high	95.1	Very high	9 Å²	9	59.9 Å²	59.9	5%	0.046	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-65.1	134.3	167.8	-62	173.6	0	0	0	107.5	A24 I26 Q51 L52 D54 M58 E62 Q64 G92	A24-I60 HydrophobicContact CB-CD1 4.02Å; A24-I60 HydrophobicContact CB-CG1 4.09Å; I26-I60 HydrophobicContact CG1-CD1 4.07Å; Q51-I60 PolarHBondContact NE2-O 2.98Å; L52-I60 HydrophobicContact CB-CB 4.15Å; L52-I60 HydrophobicContact CB-CD1 3.67Å; L52-I60 HydrophobicContact CB-CG1 4.25Å; L52-I60 HydrophobicContact CD1-CD1 4.49Å; L52-I60 PolarHBondContact O-N 3.49Å; D54-I60 HydrophobicContact CB-CG1 4.22Å; M58-I60 PolarHBondContact O-N 3.06Å; I60-E62 WeakPolarHBondContact CG2-O 3.34Å; I60-Q64 HydrophobicContact CD1-CG 4.44Å; I60-Q64 HydrophobicContact CG2-CG 4.08Å; I60-G92 WeakPolarHBondContact O-CA 3.49Å
61	T	92.9	Very high	95.1	Very high	110 Å²	110	59.9 Å²	59.9	68%	0.675	32%	0.322	S	S	*	.			trans	-115.8	3.3	-174.2	54.1	0	0	0	0	113.7	N59 D91	N59-T61 PolarHBondContact O-N 2.85Å; T61-D91 VanDerWaalsContact C-C 3.47Å; T61-D91 CarbonylContact C-O 3.56Å; T61-D91 VanDerWaalsContact CA-O 3.3Å; T61-D91 WeakPolarHBondContact CA-O 3.4Å; T61-D91 CarbonylContact O-C 3.23Å
62	E	91.2	Very high	95.1	Very high	128 Å²	128	63.8 Å²	63.8	60%	0.598	34%	0.336	S	S	*	.	S	Bend	trans	-124.2	148.4	177.5	-60.6	-167.7	163.2	0	0	110.6	I60 Q64 G92	I60-E62 WeakPolarHBondContact CG2-O 3.34Å; E62-Q64 PolarHBondContact O-N 2.86Å; E62-Q64 PolarHBondContact O-NE2 3.04Å; E62-G92 VanDerWaalsContact O-CA 3.26Å; E62-G92 WeakPolarHBondContact O-CA 3.44Å; E62-G92 PolarHBondContact O-N 2.98Å
63	S	93.1	Very high	95	Very high	41 Å²	41	64.5 Å²	64.5	29%	0.287	34%	0.339	S	S	.	.			trans	-49.8	132.7	172	173.9	0	0	0	0	111.3	G65 D88	S63-G65 PolarHBondContact OG-N 3.18Å; S63-D88 PolarHBondContact OG-OD2 2.75Å
64	Q	93.9	Very high	94.8	Very high	49 Å²	49	68.3 Å²	68.3	23%	0.229	35%	0.354	C	S	.	.			trans	-97.9	2.7	168.8	-56.9	-53.3	-63.9	0	0	111.9	I26 L52 I60 E62 A68	I26-Q64 HydrophobicContact CD1-CB 4.18Å; I26-Q64 HydrophobicContact CD1-CG 4.21Å; I26-Q64 HydrophobicContact CG1-CG 4.39Å; L52-Q64 HydrophobicContact CD1-CB 4.16Å; L52-Q64 HydrophobicContact CD1-CG 3.75Å; I60-Q64 HydrophobicContact CD1-CG 4.44Å; I60-Q64 HydrophobicContact CG2-CG 4.08Å; E62-Q64 PolarHBondContact O-N 2.86Å; E62-Q64 PolarHBondContact O-NE2 3.04Å; Q64-A68 HydrophobicContact CB-CB 3.56Å; Q64-A68 WeakPolarHBondContact O-CB 3.33Å
65	G	92.5	Very high	94.6	Very high	28 Å²	28	68.2 Å²	68.2	29%	0.289	36%	0.356	S	S	.	.			trans	94.2	153.6	-174.6	0	0	0	0	0	112.8	S63 D67 A68 Y94	S63-G65 PolarHBondContact OG-N 3.18Å; G65-D67 PolarHBondContact O-N 3.13Å; G65-D67 VanDerWaalsContact O-N 3.15Å; G65-A68 VanDerWaalsContact O-CB 3.31Å; G65-A68 WeakPolarHBondContact O-CB 3.36Å; G65-A68 PolarHBondContact O-N 2.89Å; G65-A68 VanDerWaalsContact O-N 3.14Å; G65-Y94 PolarHBondContact O-OH 3.32Å
66	K	90.6	Very high	94.2	Very high	142 Å²	142	69 Å²	69	62%	0.617	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-30.9	-178.2	61.9	172.2	-169.4	175.3	0	114.5
67	D	91.5	Very high	93.8	Very high	103 Å²	103	65.2 Å²	65.2	55%	0.551	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	16	-175.9	-50.8	-47.5	0	0	0	112.4	G65 I69	G65-D67 PolarHBondContact O-N 3.13Å; G65-D67 VanDerWaalsContact O-N 3.15Å; D67-I69 VanDerWaalsContact C-N 3.27Å; D67-I69 PolarHBondContact O-N 3.39Å
68	A	94	Very high	93.2	Very high	17 Å²	17	65.2 Å²	65.2	14%	0.14	35%	0.349	C	S	.	.	S	Bend	trans	-68.1	-31.2	-179.8	0	0	0	0	0	112.6	I26 Q64 G65 Y94	I26-A68 HydrophobicContact CD1-CB 4.1Å; Q64-A68 HydrophobicContact CB-CB 3.56Å; Q64-A68 WeakPolarHBondContact O-CB 3.33Å; G65-A68 VanDerWaalsContact O-CB 3.31Å; G65-A68 WeakPolarHBondContact O-CB 3.36Å; G65-A68 PolarHBondContact O-N 2.89Å; G65-A68 VanDerWaalsContact O-N 3.14Å; A68-Y94 WeakPolarHBondContact CB-OH 3.47Å
69	I	96.5	Very high	92.6	Very high	10 Å²	10	65.9 Å²	65.9	5%	0.051	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	155.1	176.9	61.9	170.1	0	0	0	110.8	V50 L52 D67 V71 V86 Y94 V111 F112 L119	V50-I69 HydrophobicContact CB-CD1 4.28Å; V50-I69 HydrophobicContact CG1-CD1 3.9Å; L52-I69 HydrophobicContact CD1-CG2 4.38Å; L52-I69 HydrophobicContact CD2-CG2 3.71Å; D67-I69 VanDerWaalsContact C-N 3.27Å; D67-I69 PolarHBondContact O-N 3.39Å; I69-V71 HydrophobicContact CD1-CG2 4.05Å; I69-V86 HydrophobicContact CD1-CG1 4.35Å; I69-Y94 HydrophobicContact CD1-CD1 4.07Å; I69-Y94 HydrophobicContact CD1-CD2 3.57Å; I69-Y94 HydrophobicContact CD1-CE1 4.45Å; I69-Y94 HydrophobicContact CD1-CE2 4.05Å; I69-Y94 HydrophobicContact CD1-CG 3.63Å; I69-Y94 HydrophobicContact CG1-CD1 4.2Å; I69-Y94 HydrophobicContact CG1-CD2 4.22Å; I69-Y94 HydrophobicContact CG1-CE1 4.18Å; I69-Y94 HydrophobicContact CG1-CE2 4.25Å; I69-Y94 HydrophobicContact CG1-CG 4.24Å; I69-V111 HydrophobicContact CB-CG1 4.07Å; I69-V111 HydrophobicContact CD1-CG1 4.05Å; I69-V111 HydrophobicContact CG2-CG1 4.2Å; I69-F112 CarbonylContact C-O 3.55Å; I69-F112 VanDerWaalsContact CA-O 3.29Å; I69-F112 WeakPolarHBondContact CA-O 3.01Å; I69-L119 HydrophobicContact CG2-CD1 3.99Å
70	D	97.1	Very high	92.2	Very high	62 Å²	62	63 Å²	63	33%	0.332	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	109.8	173	178.3	11.9	0	0	0	108	R72 F112	D70-R72 IonicContact OD2-CZ 3.21Å; D70-R72 IonicContact OD2-NE 2.7Å; D70-R72 PolarHBondContact OD2-NE 3.46Å; D70-R72 IonicContact OD2-NH2 2.83Å; D70-R72 PolarHBondContact OD2-NH2 3.23Å; D70-F112 HydrophobicContact CB-CB 4.36Å; D70-F112 PolarHBondContact N-O 2.97Å; D70-F112 PolarHBondContact O-N 3Å
71	V	97.8	Very high	92	Very high	1 Å²	1	64.8 Å²	64.8	1%	0.006	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	105.9	176.9	-177.9	0	0	0	0	107.5	F48 I69 I73 H84 V86 V96 V109 V111	F48-V71 HydrophobicContact CE2-CG1 4.28Å; F48-V71 HydrophobicContact CZ-CG1 3.85Å; I69-V71 HydrophobicContact CD1-CG2 4.05Å; V71-I73 HydrophobicContact CG1-CG1 4.43Å; V71-H84 PolarHBondContact O-NE2 3.35Å; V71-V86 HydrophobicContact CB-CG2 3.62Å; V71-V86 HydrophobicContact CG2-CG1 4.06Å; V71-V86 HydrophobicContact CG2-CG2 3.63Å; V71-V96 HydrophobicContact CG1-CG1 4.3Å; V71-V96 HydrophobicContact CG1-CG2 4.46Å; V71-V96 HydrophobicContact CG2-CG2 4.09Å; V71-V109 HydrophobicContact CG1-CG1 4.19Å; V71-V111 HydrophobicContact CG2-CG2 4.36Å
72	R	97	Very high	92	Very high	104 Å²	104	61.3 Å²	61.3	39%	0.392	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	132.3	179	-58.8	-179.9	-174	165.3	5.7	109.7	D70 W74 V109 G110 F112	D70-R72 IonicContact OD2-CZ 3.21Å; D70-R72 IonicContact OD2-NE 2.7Å; D70-R72 PolarHBondContact OD2-NE 3.46Å; D70-R72 IonicContact OD2-NH2 2.83Å; D70-R72 PolarHBondContact OD2-NH2 3.23Å; R72-W74 HydrophobicContact CB-CE3 3.9Å; R72-W74 HydrophobicContact CB-CZ3 3.8Å; R72-W74 WeakPolarHBondContact O-CZ3 3.22Å; R72-V109 WeakPolarHBondContact O-CA 2.94Å; R72-G110 PolarHBondContact N-O 2.56Å; R72-G110 PolarHBondContact O-N 2.76Å; R72-F112 HydrophobicContact CB-CD2 4.1Å; R72-F112 HydrophobicContact CB-CE2 3.83Å; R72-F112 HydrophobicContact CG-CD2 3.82Å; R72-F112 HydrophobicContact CG-CE2 3.99Å
73	I	96.1	Very high	92	Very high	15 Å²	15	57.5 Å²	57.5	8%	0.077	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	128.7	172.5	-50.4	-174	0	0	0	107.6	F48 V71 F82 H84 L98 L107 L108 V109	F48-I73 HydrophobicContact CE1-CD1 4.47Å; V71-I73 HydrophobicContact CG1-CG1 4.43Å; I73-F82 HydrophobicContact CB-CE2 3.74Å; I73-F82 HydrophobicContact CB-CZ 3.99Å; I73-F82 HydrophobicContact CG2-CD2 4.48Å; I73-F82 HydrophobicContact CG2-CE2 3.72Å; I73-F82 HydrophobicContact CG2-CZ 3.76Å; I73-F82 WeakPolarHBondContact O-CZ 3.27Å; I73-H84 HydrophobicContact CD1-CB 3.79Å; I73-L98 HydrophobicContact CD1-CD1 4Å; I73-L98 HydrophobicContact CD1-CD2 4.32Å; I73-L107 HydrophobicContact CG2-CB 4.35Å; I73-L107 HydrophobicContact CG2-CD1 4.41Å; I73-L107 HydrophobicContact CG2-CD2 4.5Å; I73-L108 VanDerWaalsContact CA-O 3.27Å; I73-L108 WeakPolarHBondContact CA-O 3.41Å; I73-V109 HydrophobicContact CD1-CG2 4.2Å; I73-V109 HydrophobicContact CG1-CG2 4.05Å; I73-V109 HydrophobicContact CG2-CG2 4.34Å
74	W	93.9	Very high	92	Very high	80 Å²	80	58.6 Å²	58.6	30%	0.303	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	152.8	179	66.7	97.6	0	0	0	110.7	R72 L107 L108 F112 K122	R72-W74 HydrophobicContact CB-CE3 3.9Å; R72-W74 HydrophobicContact CB-CZ3 3.8Å; R72-W74 WeakPolarHBondContact O-CZ3 3.22Å; W74-L107 CarbonylContact O-C 3.46Å; W74-L107 WeakPolarHBondContact O-CA 3.2Å; W74-L108 HydrophobicContact CD2-CB 4.09Å; W74-L108 HydrophobicContact CH2-CB 4.14Å; W74-L108 HydrophobicContact CZ2-CB 3.69Å; W74-L108 HydrophobicContact CZ2-CD1 3.74Å; W74-L108 HydrophobicContact CZ2-CG 4.39Å; W74-L108 PolarHBondContact N-O 3.1Å; W74-L108 VanDerWaalsContact N-O 3.1Å; W74-L108 PolarHBondContact O-N 2.91Å; W74-F112 HydrophobicContact CH2-CE2 4.42Å; W74-F112 HydrophobicContact CH2-CZ 4.3Å; W74-F112 HydrophobicContact CZ3-CE2 4.17Å; W74-F112 HydrophobicContact CZ3-CZ 4.46Å; W74-K122 HydrophobicContact CH2-CD 4.4Å; W74-K122 HydrophobicContact CZ2-CD 4.33Å
75	S	91.5	Very high	92	Very high	27 Å²	27	58.1 Å²	58.1	19%	0.189	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	141.1	174.3	178.7	0	0	0	0	110.7	S77 G78 A105	S75-S77 PolarHBondContact OG-N 3.46Å; S75-S77 VanDerWaalsContact OG-N 3.1Å; S75-G78 WeakPolarHBondContact CB-O 3.32Å; S75-G78 PolarHBondContact OG-O 3.05Å; S75-A105 PolarHBondContact OG-O 2.63Å
76	Q	87.2	Confident	92	Very high	121 Å²	121	58.5 Å²	58.5	57%	0.565	32%	0.316	S	S	*	.	S	Bend	trans	-85.6	-9.3	169.8	-63.7	-170.3	-73.1	0	0	113.6	N106 L108	Q76-N106 HydrophobicContact CB-CB 4.3Å; Q76-N106 PolarHBondContact N-O 2.8Å; Q76-N106 VanDerWaalsContact N-O 3.08Å; Q76-L108 HydrophobicContact CG-CD1 3.48Å; Q76-L108 VanDerWaalsContact CG-CD1 3.48Å; Q76-L108 HydrophobicContact CG-CG 3.93Å
77	S	86.3	Confident	92.1	Very high	71 Å²	71	52.2 Å²	52.2	50%	0.497	29%	0.289	S	S	.	.	S	Bend	trans	-117.6	15.6	-167.3	-58	0	0	0	0	113.7	S75 N106	S75-S77 PolarHBondContact OG-N 3.46Å; S75-S77 VanDerWaalsContact OG-N 3.1Å; S77-N106 PolarHBondContact OG-ND2 2.98Å
78	G	83.7	Confident	92.3	Very high	40 Å²	40	47.4 Å²	47.4	41%	0.412	26%	0.263	S	S	.	.	S	Bend	trans	121.2	-175.6	178.8	0	0	0	0	0	113.6	S75 C80	S75-G78 WeakPolarHBondContact CB-O 3.32Å; S75-G78 PolarHBondContact OG-O 3.05Å; G78-C80 PolarHBondContact O-N 3.44Å
79	P	83.9	Confident	92.2	Very high	138 Å²	138	46.7 Å²	46.7	90%	0.896	26%	0.257	S	S	*	.			trans	-64.6	134.9	-179.1	26.8	-33.3	0	0	0	110.8
80	C	89.6	Confident	92	Very high	27 Å²	27	49.2 Å²	49.2	18%	0.182	27%	0.268	C	S	.	.			trans	-136.4	139.2	167.7	-166.5	0	0	0	0	111.1	G78 F82 C104	G78-C80 PolarHBondContact O-N 3.44Å; C80-F82 HydrophobicContact CB-CD1 4.35Å; C80-C104 HydrophobicContact CB-CB 3.79Å; C80-C104 WeakPolarHBondContact CB-SG 3.43Å; C80-C104 WeakPolarHBondContact SG-CA 3.17Å; C80-C104 WeakPolarHBondContact SG-CB 3.09Å; C80-C104 CovalentContact SG-SG 2.01Å; C80-C104 PolarHBondContact SG-SG 3.05Å
81	S	91.4	Very high	91.7	Very high	46 Å²	46	49 Å²	49	32%	0.322	27%	0.267	S	S	.	.			trans	-89.7	112.6	177.4	-160.3	0	0	0	0	112.3	R101 E102	S81-R101 WeakPolarHBondContact O-CB 3.36Å; S81-R101 PolarHBondContact O-N 3.12Å; S81-R101 WeakPolarHBondContact OG-CD 3.35Å; S81-E102 WeakPolarHBondContact CB-OE1 3.39Å; S81-E102 PolarHBondContact N-OE1 3.29Å
82	F	92.4	Very high	91.5	Very high	38 Å²	38	49 Å²	49	17%	0.167	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	162.8	171.6	61.2	-90.3	0	0	0	110.1	I73 C80 H84 L98 V99 L100 L107	I73-F82 HydrophobicContact CB-CE2 3.74Å; I73-F82 HydrophobicContact CB-CZ 3.99Å; I73-F82 HydrophobicContact CG2-CD2 4.48Å; I73-F82 HydrophobicContact CG2-CE2 3.72Å; I73-F82 HydrophobicContact CG2-CZ 3.76Å; I73-F82 WeakPolarHBondContact O-CZ 3.27Å; C80-F82 HydrophobicContact CB-CD1 4.35Å; F82-H84 AromaticContact CE2-ND1 3.98Å; F82-L98 HydrophobicContact CB-CD1 4.18Å; F82-L98 HydrophobicContact CD2-CD1 3.64Å; F82-L98 HydrophobicContact CE2-CD1 4.42Å; F82-L98 HydrophobicContact CG-CD1 4.13Å; F82-V99 VanDerWaalsContact CA-O 3.32Å; F82-V99 WeakPolarHBondContact CA-O 3.14Å; F82-V99 WeakPolarHBondContact CB-O 3.29Å; F82-L100 HydrophobicContact CB-CD2 3.59Å; F82-L100 HydrophobicContact CG-CD2 4.27Å; F82-L107 HydrophobicContact CD1-CD1 4.47Å; F82-L107 HydrophobicContact CD1-CD2 4.19Å; F82-L107 HydrophobicContact CE1-CD2 3.8Å; F82-L107 HydrophobicContact CZ-CD2 4.49Å
83	N	92.5	Very high	91.5	Very high	48 Å²	48	44.4 Å²	44.4	26%	0.257	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	144.6	168.3	-69	-24	0	0	0	109	F85 V99 R101	N83-F85 HydrophobicContact CB-CE2 3.81Å; N83-F85 HydrophobicContact CB-CZ 3.69Å; N83-V99 PolarHBondContact N-O 3Å; N83-V99 PolarHBondContact O-N 2.7Å; N83-R101 PolarHBondContact ND2-NE 3.24Å; N83-R101 PolarHBondContact ND2-NH2 3.21Å
84	H	93.2	Very high	91.5	Very high	63 Å²	63	43.7 Å²	43.7	29%	0.292	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	153.9	166.6	73.7	-78.8	0	0	0	111	V71 I73 F82 R97 L98	V71-H84 PolarHBondContact O-NE2 3.35Å; I73-H84 HydrophobicContact CD1-CB 3.79Å; F82-H84 AromaticContact CE2-ND1 3.98Å; H84-R97 CarbonylContact C-O 3.58Å; H84-R97 WeakPolarHBondContact CA-O 3.34Å; H84-R97 WeakPolarHBondContact CB-O 3.12Å; H84-L98 HydrophobicContact CB-CD1 4.16Å
85	F	92.6	Very high	91.5	Very high	40 Å²	40	40.7 Å²	40.7	18%	0.175	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	138.8	-177.8	-51.2	-78.2	0	0	0	108.9	N83 Y87 V96 R97 L287	N83-F85 HydrophobicContact CB-CE2 3.81Å; N83-F85 HydrophobicContact CB-CZ 3.69Å; F85-Y87 HydrophobicContact CB-CD1 4.34Å; F85-Y87 HydrophobicContact CB-CE1 3.63Å; F85-Y87 HydrophobicContact CB-CE2 4.01Å; F85-Y87 VanDerWaalsContact CB-CZ 3.44Å; F85-Y87 WeakPolarHBondContact CB-OH 3.3Å; F85-Y87 HydrophobicContact CG-CE1 4.45Å; F85-V96 CarbonylContact O-C 3.59Å; F85-V96 VanDerWaalsContact O-CA 3.31Å; F85-V96 WeakPolarHBondContact O-CA 3.43Å; F85-R97 HydrophobicContact CB-CB 4.43Å; F85-R97 HydrophobicContact CD2-CB 4.38Å; F85-R97 PolarHBondContact N-O 3.28Å; F85-R97 PolarHBondContact O-N 3.1Å; F85-L287 HydrophobicContact CD1-CD2 3.64Å; F85-L287 HydrophobicContact CD2-CD2 4.29Å; F85-L287 HydrophobicContact CE1-CD1 3.73Å; F85-L287 HydrophobicContact CE1-CD2 3.07Å; F85-L287 HydrophobicContact CE1-CG 3.83Å; F85-L287 HydrophobicContact CE2-CD2 3.79Å; F85-L287 HydrophobicContact CE2-CG 4.32Å; F85-L287 HydrophobicContact CG-CD2 4.23Å; F85-L287 HydrophobicContact CZ-CD1 3.61Å; F85-L287 HydrophobicContact CZ-CD2 3.16Å; F85-L287 HydrophobicContact CZ-CG 3.55Å
86	V	94.1	Very high	91.7	Very high	36 Å²	36	39.4 Å²	39.4	22%	0.218	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	119.9	178.8	-174.6	0	0	0	0	107.1	I69 V71 Y94 V96	I69-V86 HydrophobicContact CD1-CG1 4.35Å; V71-V86 HydrophobicContact CB-CG2 3.62Å; V71-V86 HydrophobicContact CG2-CG1 4.06Å; V71-V86 HydrophobicContact CG2-CG2 3.63Å; V86-Y94 HydrophobicContact CG1-CD1 3.89Å; V86-Y94 HydrophobicContact CG1-CG 4.3Å; V86-V96 HydrophobicContact CG1-CG2 4.39Å; V86-V96 HydrophobicContact CG2-CG1 4.46Å; V86-V96 HydrophobicContact CG2-CG2 4.35Å
87	Y	92.9	Very high	92.1	Very high	10 Å²	10	33.9 Å²	33.9	4%	0.039	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	120.5	-174.4	-58.6	-42.3	0	0	0	109.2	F85 A89 Y94 N95 R97 L294 K295 E298	F85-Y87 HydrophobicContact CB-CD1 4.34Å; F85-Y87 HydrophobicContact CB-CE1 3.63Å; F85-Y87 HydrophobicContact CB-CE2 4.01Å; F85-Y87 VanDerWaalsContact CB-CZ 3.44Å; F85-Y87 WeakPolarHBondContact CB-OH 3.3Å; F85-Y87 HydrophobicContact CG-CE1 4.45Å; Y87-A89 PolarHBondContact O-N 3.26Å; Y87-Y94 CarbonylContact O-C 3.55Å; Y87-Y94 WeakPolarHBondContact O-CA 3.39Å; Y87-N95 PolarHBondContact N-O 2.81Å; Y87-N95 PolarHBondContact O-N 3.08Å; Y87-R97 HydrophobicContact CE2-CB 4.13Å; Y87-L294 HydrophobicContact CD2-CB 4.18Å; Y87-L294 WeakPolarHBondContact CD2-O 3.44Å; Y87-L294 HydrophobicContact CE2-CB 4.25Å; Y87-K295 HydrophobicContact CD2-CB 4.27Å; Y87-K295 HydrophobicContact CE1-CB 4.43Å; Y87-K295 HydrophobicContact CE1-CG 4.06Å; Y87-K295 HydrophobicContact CE2-CB 3.77Å; Y87-K295 HydrophobicContact CE2-CG 4.3Å; Y87-E298 HydrophobicContact CD1-CG 3.53Å; Y87-E298 VanDerWaalsContact CD1-OE1 3.32Å; Y87-E298 WeakPolarHBondContact CD1-OE1 3.48Å; Y87-E298 VanDerWaalsContact CD1-OE2 3.31Å; Y87-E298 WeakPolarHBondContact CD1-OE2 3.32Å; Y87-E298 HydrophobicContact CE1-CG 4.43Å; Y87-E298 WeakPolarHBondContact CE1-OE2 3.46Å; Y87-E298 HydrophobicContact CG-CG 3.75Å
88	D	93.7	Very high	92.4	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.011	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	122	172.3	-172.6	-14	0	0	0	109.3	S63 F90 Y94 S297	S63-D88 PolarHBondContact OG-OD2 2.75Å; D88-F90 VanDerWaalsContact C-N 3.26Å; D88-F90 HydrophobicContact CB-CD2 4.33Å; D88-F90 HydrophobicContact CB-CE2 4.06Å; D88-F90 HydrophobicContact CB-CZ 4.41Å; D88-F90 WeakPolarHBondContact O-CD2 3.48Å; D88-F90 WeakPolarHBondContact O-CE2 3.36Å; D88-F90 VanDerWaalsContact OD1-CA 3.32Å; D88-F90 WeakPolarHBondContact OD1-CA 3.38Å; D88-F90 PolarHBondContact OD1-N 2.8Å; D88-Y94 HydrophobicContact CB-CD1 4.04Å; D88-Y94 HydrophobicContact CB-CE1 3.76Å; D88-S297 CarbonylContact O-C 3.57Å
89	A	92.7	Very high	92.9	Very high	2 Å²	2	29.1 Å²	29.1	2%	0.017	16%	0.162	C	C	.	.			trans	-85.4	-1.9	178.7	0	0	0	0	0	113.2	Y87 D91 S93 R300	Y87-A89 PolarHBondContact O-N 3.26Å; A89-D91 WeakPolarHBondContact CB-OD1 3.44Å; A89-D91 PolarHBondContact O-N 2.85Å; A89-S93 WeakPolarHBondContact CB-O 3.33Å; A89-S93 PolarHBondContact N-O 2.87Å; A89-R300 WeakPolarHBondContact O-CD 3.18Å; A89-R300 PolarHBondContact O-NH1 2.84Å
90	F	91.9	Very high	93.3	Very high	63 Å²	63	23.1 Å²	23.1	28%	0.276	12%	0.122	S	C	.	.	S	Bend	trans	62.6	21.2	179.2	-67.3	-94	0	0	0	115.4	D88 R300 Q301	D88-F90 VanDerWaalsContact C-N 3.26Å; D88-F90 HydrophobicContact CB-CD2 4.33Å; D88-F90 HydrophobicContact CB-CE2 4.06Å; D88-F90 HydrophobicContact CB-CZ 4.41Å; D88-F90 WeakPolarHBondContact O-CD2 3.48Å; D88-F90 WeakPolarHBondContact O-CE2 3.36Å; D88-F90 VanDerWaalsContact OD1-CA 3.32Å; D88-F90 WeakPolarHBondContact OD1-CA 3.38Å; D88-F90 PolarHBondContact OD1-N 2.8Å; F90-R300 HydrophobicContact CB-CB 3.97Å; F90-R300 HydrophobicContact CD2-CB 3.69Å; F90-R300 HydrophobicContact CG-CB 4Å; F90-Q301 HydrophobicContact CE1-CB 4.28Å; F90-Q301 HydrophobicContact CE2-CG 4.04Å; F90-Q301 VanDerWaalsContact CZ-CA 3.5Å; F90-Q301 HydrophobicContact CZ-CB 3.92Å; F90-Q301 HydrophobicContact CZ-CG 3.72Å
91	D	91.5	Very high	93.3	Very high	57 Å²	57	27.9 Å²	27.9	31%	0.305	14%	0.136	S	C	.	.	S	Bend	trans	-129.7	21.5	179.7	58.9	13.4	0	0	0	112.1	T61 A89 S93 R300	T61-D91 VanDerWaalsContact C-C 3.47Å; T61-D91 CarbonylContact C-O 3.56Å; T61-D91 VanDerWaalsContact CA-O 3.3Å; T61-D91 WeakPolarHBondContact CA-O 3.4Å; T61-D91 CarbonylContact O-C 3.23Å; A89-D91 WeakPolarHBondContact CB-OD1 3.44Å; A89-D91 PolarHBondContact O-N 2.85Å; D91-S93 PolarHBondContact O-N 2.95Å; D91-S93 WeakPolarHBondContact OD1-CB 3.15Å; D91-S93 PolarHBondContact OD1-N 3.3Å; D91-S93 PolarHBondContact OD1-OG 3.48Å; D91-R300 IonicContact OD2-NH1 3.68Å
92	G	94	Very high	93.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.127	C	C	.	.	S	Bend	trans	78.6	4.5	-174.8	0	0	0	0	0	114.2	Q51 L52 I60 E62	Q51-G92 PolarHBondContact NE2-O 2.85Å; L52-G92 WeakPolarHBondContact CB-O 3.07Å; L52-G92 WeakPolarHBondContact CG-O 3.3Å; L52-G92 PolarHBondContact N-O 2.96Å; L52-G92 VanDerWaalsContact N-O 3.12Å; I60-G92 WeakPolarHBondContact O-CA 3.49Å; E62-G92 VanDerWaalsContact O-CA 3.26Å; E62-G92 WeakPolarHBondContact O-CA 3.44Å; E62-G92 PolarHBondContact O-N 2.98Å
93	S	95.6	Very high	93.1	Very high	8 Å²	8	26 Å²	26	6%	0.056	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	164	171.8	81.9	0	0	0	0	112.9	V50 A89 D91	V50-S93 CarbonylContact O-C 3.29Å; V50-S93 WeakPolarHBondContact O-CA 3.41Å; V50-S93 WeakPolarHBondContact O-CB 3.42Å; A89-S93 WeakPolarHBondContact CB-O 3.33Å; A89-S93 PolarHBondContact N-O 2.87Å; D91-S93 PolarHBondContact O-N 2.95Å; D91-S93 WeakPolarHBondContact OD1-CB 3.15Å; D91-S93 PolarHBondContact OD1-N 3.3Å; D91-S93 PolarHBondContact OD1-OG 3.48Å
94	Y	96.5	Very high	93.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	140.2	177.6	-60.2	-105.8	0	0	0	110.3	F49 V50 L52 G65 A68 I69 V86 Y87 D88	F49-Y94 WeakPolarHBondContact CA-O 3.46Å; V50-Y94 PolarHBondContact N-O 3.5Å; V50-Y94 PolarHBondContact O-N 2.95Å; L52-Y94 HydrophobicContact CD1-CD2 4.48Å; L52-Y94 HydrophobicContact CD1-CE2 3.61Å; L52-Y94 HydrophobicContact CD2-CE2 4.43Å; L52-Y94 HydrophobicContact CG-CD2 4.34Å; L52-Y94 HydrophobicContact CG-CE2 3.93Å; G65-Y94 PolarHBondContact O-OH 3.32Å; A68-Y94 WeakPolarHBondContact CB-OH 3.47Å; I69-Y94 HydrophobicContact CD1-CD1 4.07Å; I69-Y94 HydrophobicContact CD1-CD2 3.57Å; I69-Y94 HydrophobicContact CD1-CE1 4.45Å; I69-Y94 HydrophobicContact CD1-CE2 4.05Å; I69-Y94 HydrophobicContact CD1-CG 3.63Å; I69-Y94 HydrophobicContact CG1-CD1 4.2Å; I69-Y94 HydrophobicContact CG1-CD2 4.22Å; I69-Y94 HydrophobicContact CG1-CE1 4.18Å; I69-Y94 HydrophobicContact CG1-CE2 4.25Å; I69-Y94 HydrophobicContact CG1-CG 4.24Å; V86-Y94 HydrophobicContact CG1-CD1 3.89Å; V86-Y94 HydrophobicContact CG1-CG 4.3Å; Y87-Y94 CarbonylContact O-C 3.55Å; Y87-Y94 WeakPolarHBondContact O-CA 3.39Å; D88-Y94 HydrophobicContact CB-CD1 4.04Å; D88-Y94 HydrophobicContact CB-CE1 3.76Å
95	N	95.2	Very high	93	Very high	17 Å²	17	22 Å²	22	9%	0.091	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	124.5	172.2	-61.8	-37.4	0	0	0	108.6	F49 Y87 L294 S297	F49-N95 WeakPolarHBondContact CD1-OD1 3.31Å; F49-N95 WeakPolarHBondContact CE1-OD1 3.32Å; Y87-N95 PolarHBondContact N-O 2.81Å; Y87-N95 PolarHBondContact O-N 3.08Å; N95-L294 HydrophobicContact CB-CD2 4.01Å; N95-L294 PolarHBondContact ND2-O 2.74Å; N95-S297 VanDerWaalsContact ND2-CB 3.27Å; N95-S297 WeakPolarHBondContact ND2-CB 3.43Å; N95-S297 PolarHBondContact ND2-OG 3.18Å
96	V	95.4	Very high	92.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	128.4	177.3	-172.3	0	0	0	0	109.8	Y47 F48 V50 V71 F85 V86	Y47-V96 WeakPolarHBondContact CA-O 3.34Å; Y47-V96 WeakPolarHBondContact CB-O 3.22Å; F48-V96 HydrophobicContact CD1-CB 4Å; F48-V96 HydrophobicContact CD1-CG1 4.17Å; F48-V96 HydrophobicContact CD2-CB 3.88Å; F48-V96 HydrophobicContact CD2-CG2 4.01Å; F48-V96 HydrophobicContact CE1-CB 3.71Å; F48-V96 HydrophobicContact CE1-CG1 3.44Å; F48-V96 VanDerWaalsContact CE1-CG1 3.44Å; F48-V96 HydrophobicContact CE2-CB 3.59Å; F48-V96 HydrophobicContact CE2-CG1 3.94Å; F48-V96 HydrophobicContact CE2-CG2 3.52Å; F48-V96 HydrophobicContact CG-CB 4.1Å; F48-V96 HydrophobicContact CZ-CB 3.52Å; F48-V96 HydrophobicContact CZ-CG1 3.32Å; F48-V96 HydrophobicContact CZ-CG2 3.84Å; F48-V96 PolarHBondContact N-O 2.85Å; F48-V96 PolarHBondContact O-N 2.89Å; V50-V96 HydrophobicContact CG2-CG2 3.97Å; V71-V96 HydrophobicContact CG1-CG1 4.3Å; V71-V96 HydrophobicContact CG1-CG2 4.46Å; V71-V96 HydrophobicContact CG2-CG2 4.09Å; F85-V96 CarbonylContact O-C 3.59Å; F85-V96 VanDerWaalsContact O-CA 3.31Å; F85-V96 WeakPolarHBondContact O-CA 3.43Å; V86-V96 HydrophobicContact CG1-CG2 4.39Å; V86-V96 HydrophobicContact CG2-CG1 4.46Å; V86-V96 HydrophobicContact CG2-CG2 4.35Å
97	R	93.8	Very high	92.9	Very high	6 Å²	6	20 Å²	20	2%	0.023	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	129.7	177.8	-172.7	177.2	178.1	-105.9	3.6	109	A45 R46 H84 F85 Y87 V99 K284 T285 D292 L294	A45-R97 HydrophobicContact CB-CG 3.85Å; R46-R97 CarbonylContact O-C 3.52Å; H84-R97 CarbonylContact C-O 3.58Å; H84-R97 WeakPolarHBondContact CA-O 3.34Å; H84-R97 WeakPolarHBondContact CB-O 3.12Å; F85-R97 HydrophobicContact CB-CB 4.43Å; F85-R97 HydrophobicContact CD2-CB 4.38Å; F85-R97 PolarHBondContact N-O 3.28Å; F85-R97 PolarHBondContact O-N 3.1Å; Y87-R97 HydrophobicContact CE2-CB 4.13Å; R97-V99 HydrophobicContact CG-CG2 4.47Å; R97-K284 PolarHBondContact NH2-O 3.37Å; R97-T285 PolarHBondContact NH1-O 3.37Å; R97-T285 VanDerWaalsContact NH2-CA 3.31Å; R97-T285 PolarHBondContact NH2-O 3.08Å; R97-D292 VanDerWaalsContact CD-OD2 3.31Å; R97-D292 WeakPolarHBondContact CD-OD2 3.35Å; R97-D292 IonicContact CZ-OD2 3.81Å; R97-D292 IonicContact NE-OD2 2.99Å; R97-D292 PolarHBondContact NE-OD2 3.47Å; R97-L294 HydrophobicContact CB-CD1 4.03Å; R97-L294 HydrophobicContact CG-CD1 3.94Å
98	L	94	Very high	93.1	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	118.4	-179.3	172.1	62.9	0	0	0	109.9	R46 I73 F82 H84 L100 L125	R46-L98 HydrophobicContact CB-CB 4.2Å; R46-L98 WeakPolarHBondContact CB-O 3.41Å; R46-L98 PolarHBondContact N-O 3.48Å; R46-L98 PolarHBondContact O-N 3Å; I73-L98 HydrophobicContact CD1-CD1 4Å; I73-L98 HydrophobicContact CD1-CD2 4.32Å; F82-L98 HydrophobicContact CB-CD1 4.18Å; F82-L98 HydrophobicContact CD2-CD1 3.64Å; F82-L98 HydrophobicContact CE2-CD1 4.42Å; F82-L98 HydrophobicContact CG-CD1 4.13Å; H84-L98 HydrophobicContact CB-CD1 4.16Å; L98-L100 HydrophobicContact CD1-CD2 3.89Å; L98-L100 HydrophobicContact CD2-CD2 4.3Å; L98-L100 HydrophobicContact CG-CD2 4.02Å; L98-L125 HydrophobicContact CD2-CD1 3.99Å
99	V	93.1	Very high	93.3	Very high	11 Å²	11	20.1 Å²	20.1	7%	0.067	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	115	-180	-179.7	0	0	0	0	108.9	A45 F82 N83 R97 T285	A45-V99 HydrophobicContact CB-CG2 3.88Å; F82-V99 VanDerWaalsContact CA-O 3.32Å; F82-V99 WeakPolarHBondContact CA-O 3.14Å; F82-V99 WeakPolarHBondContact CB-O 3.29Å; N83-V99 PolarHBondContact N-O 3Å; N83-V99 PolarHBondContact O-N 2.7Å; R97-V99 HydrophobicContact CG-CG2 4.47Å; V99-T285 HydrophobicContact CG1-CG2 3.93Å
100	L	92.3	Very high	93.5	Very high	11 Å²	11	20 Å²	20	6%	0.058	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	131.3	176.8	-53.4	-171.4	0	0	0	109.9	F82 L98 L107 L132 A134	F82-L100 HydrophobicContact CB-CD2 3.59Å; F82-L100 HydrophobicContact CG-CD2 4.27Å; L98-L100 HydrophobicContact CD1-CD2 3.89Å; L98-L100 HydrophobicContact CD2-CD2 4.3Å; L98-L100 HydrophobicContact CG-CD2 4.02Å; L100-L107 HydrophobicContact CD2-CD1 3.78Å; L100-L132 HydrophobicContact CD1-CB 3.59Å; L100-L132 WeakPolarHBondContact CD1-O 3.18Å; L100-A134 HydrophobicContact CB-CB 3.97Å; L100-A134 WeakPolarHBondContact O-CB 3.29Å
101	R	89.3	Confident	93.8	Very high	128 Å²	128	17 Å²	17	48%	0.483	9%	0.085	S	C	.	.	S	Bend	trans	-91.7	-11.5	176.2	-63.8	172.5	169.7	-176.5	-5.4	112.6	S81 N83	S81-R101 WeakPolarHBondContact O-CB 3.36Å; S81-R101 PolarHBondContact O-N 3.12Å; S81-R101 WeakPolarHBondContact OG-CD 3.35Å; N83-R101 PolarHBondContact ND2-NE 3.24Å; N83-R101 PolarHBondContact ND2-NH2 3.21Å
102	E	90.2	Very high	94.2	Very high	30 Å²	30	15.3 Å²	15.3	14%	0.14	8%	0.075	C	C	.	.	S	Bend	trans	-158.9	169.4	177.8	63.9	-172.4	160.7	0	0	109.9	S81 C104 R498	S81-E102 WeakPolarHBondContact CB-OE1 3.39Å; S81-E102 PolarHBondContact N-OE1 3.29Å; E102-C104 PolarHBondContact O-N 3.13Å; E102-R498 IonicContact OE2-CZ 3.71Å; E102-R498 IonicContact OE2-NH1 2.63Å; E102-R498 PolarHBondContact OE2-NH1 3.46Å
103	T	91.4	Very high	94.2	Very high	15 Å²	15	16.2 Å²	16.2	9%	0.092	8%	0.081	C	C	.	.			trans	-65.4	122.4	173	-60.1	0	0	0	0	110.5	T131 L132 D133 C137 R498	T103-T131 HydrophobicContact CG2-CG2 4.13Å; T103-L132 CarbonylContact C-O 3.6Å; T103-L132 VanDerWaalsContact CA-O 3.26Å; T103-L132 WeakPolarHBondContact CA-O 3.32Å; T103-D133 WeakPolarHBondContact CG2-OD1 3.44Å; T103-D133 PolarHBondContact OG1-OD1 2.87Å; T103-C137 PolarHBondContact OG1-SG 3.38Å; T103-R498 VanDerWaalsContact CB-O 3.23Å; T103-R498 WeakPolarHBondContact CB-O 3.4Å; T103-R498 WeakPolarHBondContact CG2-O 3.28Å; T103-R498 PolarHBondContact OG1-O 2.97Å
104	C	92.3	Very high	93.9	Very high	2 Å²	2	24 Å²	24	1%	0.014	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	153.8	176.1	-62.8	0	0	0	0	111	C80 E102 L107 T131 L132	C80-C104 HydrophobicContact CB-CB 3.79Å; C80-C104 WeakPolarHBondContact CB-SG 3.43Å; C80-C104 WeakPolarHBondContact SG-CA 3.17Å; C80-C104 WeakPolarHBondContact SG-CB 3.09Å; C80-C104 CovalentContact SG-SG 2.01Å; C80-C104 PolarHBondContact SG-SG 3.05Å; E102-C104 PolarHBondContact O-N 3.13Å; C104-L107 HydrophobicContact CB-CD1 3.81Å; C104-L107 HydrophobicContact CB-CD2 3.95Å; C104-L107 HydrophobicContact CB-CG 3.74Å; C104-T131 CarbonylContact O-C 3.58Å; C104-T131 VanDerWaalsContact O-CA 3.27Å; C104-T131 WeakPolarHBondContact O-CA 3.31Å; C104-L132 PolarHBondContact N-O 3.23Å; C104-L132 PolarHBondContact O-N 3Å
105	A	89.9	Confident	93.7	Very high	23 Å²	23	29.2 Å²	29.2	19%	0.19	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	138.1	169.1	0	0	0	0	0	110.6	S75 L107 G130	S75-A105 PolarHBondContact OG-O 2.63Å; A105-L107 PolarHBondContact O-N 2.82Å; A105-G130 WeakPolarHBondContact CA-O 3.2Å
106	N	90.4	Very high	93.6	Very high	35 Å²	35	30 Å²	30	19%	0.187	16%	0.162	C	C	.	.	S	Bend	trans	43.8	62.9	169.7	-60.7	-52.9	0	0	0	114.2	Q76 S77 L124 G130	Q76-N106 HydrophobicContact CB-CB 4.3Å; Q76-N106 PolarHBondContact N-O 2.8Å; Q76-N106 VanDerWaalsContact N-O 3.08Å; S77-N106 PolarHBondContact OG-ND2 2.98Å; N106-L124 HydrophobicContact CB-CD1 3.88Å; N106-G130 PolarHBondContact N-O 2.9Å; N106-G130 PolarHBondContact OD1-O 3.43Å
107	L	95.5	Very high	93.6	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	124.6	174.9	-68.7	-178.1	0	0	0	109.7	I73 W74 F82 L100 C104 A105 L125 L132	I73-L107 HydrophobicContact CG2-CB 4.35Å; I73-L107 HydrophobicContact CG2-CD1 4.41Å; I73-L107 HydrophobicContact CG2-CD2 4.5Å; W74-L107 CarbonylContact O-C 3.46Å; W74-L107 WeakPolarHBondContact O-CA 3.2Å; F82-L107 HydrophobicContact CD1-CD1 4.47Å; F82-L107 HydrophobicContact CD1-CD2 4.19Å; F82-L107 HydrophobicContact CE1-CD2 3.8Å; F82-L107 HydrophobicContact CZ-CD2 4.49Å; L100-L107 HydrophobicContact CD2-CD1 3.78Å; C104-L107 HydrophobicContact CB-CD1 3.81Å; C104-L107 HydrophobicContact CB-CD2 3.95Å; C104-L107 HydrophobicContact CB-CG 3.74Å; A105-L107 PolarHBondContact O-N 2.82Å; L107-L125 HydrophobicContact CB-CB 4.29Å; L107-L125 PolarHBondContact N-O 2.84Å; L107-L125 WeakPolarHBondContact O-CB 3.26Å; L107-L125 PolarHBondContact O-N 2.86Å; L107-L132 HydrophobicContact CB-CD1 3.98Å; L107-L132 HydrophobicContact CD1-CD1 4.06Å; L107-L132 HydrophobicContact CG-CD1 3.89Å
108	L	96	Very high	93.8	Very high	15 Å²	15	38.9 Å²	38.9	8%	0.079	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	138.8	169.6	-77.9	174.3	0	0	0	110.2	I73 W74 Q76 K122 Y123 L124	I73-L108 VanDerWaalsContact CA-O 3.27Å; I73-L108 WeakPolarHBondContact CA-O 3.41Å; W74-L108 HydrophobicContact CD2-CB 4.09Å; W74-L108 HydrophobicContact CH2-CB 4.14Å; W74-L108 HydrophobicContact CZ2-CB 3.69Å; W74-L108 HydrophobicContact CZ2-CD1 3.74Å; W74-L108 HydrophobicContact CZ2-CG 4.39Å; W74-L108 PolarHBondContact N-O 3.1Å; W74-L108 VanDerWaalsContact N-O 3.1Å; W74-L108 PolarHBondContact O-N 2.91Å; Q76-L108 HydrophobicContact CG-CD1 3.48Å; Q76-L108 VanDerWaalsContact CG-CD1 3.48Å; Q76-L108 HydrophobicContact CG-CG 3.93Å; L108-K122 HydrophobicContact CD2-CB 4.4Å; L108-Y123 CarbonylContact C-O 3.54Å; L108-Y123 WeakPolarHBondContact CA-O 3.21Å; L108-L124 HydrophobicContact CD2-CB 3.88Å; L108-L124 HydrophobicContact CD2-CD1 3.96Å; L108-L124 HydrophobicContact CG-CD1 4.21Å
109	V	97.8	Very high	94	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	134	170.2	-179.9	0	0	0	0	109	F48 V71 R72 I73 K122 Y123 L125	F48-V109 HydrophobicContact CE1-CG1 4.4Å; F48-V109 HydrophobicContact CE2-CG1 4.13Å; F48-V109 HydrophobicContact CZ-CG1 3.64Å; V71-V109 HydrophobicContact CG1-CG1 4.19Å; R72-V109 WeakPolarHBondContact O-CA 2.94Å; I73-V109 HydrophobicContact CD1-CG2 4.2Å; I73-V109 HydrophobicContact CG1-CG2 4.05Å; I73-V109 HydrophobicContact CG2-CG2 4.34Å; V109-K122 CarbonylContact O-C 3.42Å; V109-K122 WeakPolarHBondContact O-CA 3.08Å; V109-Y123 PolarHBondContact N-O 2.87Å; V109-Y123 PolarHBondContact O-N 2.69Å; V109-L125 HydrophobicContact CG2-CD1 3.55Å; V109-L125 HydrophobicContact CG2-CD2 4.14Å; V109-L125 HydrophobicContact CG2-CG 3.79Å
110	G	98	Very high	94.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	142	168	0	0	0	0	0	111	R72 F112	R72-G110 PolarHBondContact N-O 2.56Å; R72-G110 PolarHBondContact O-N 2.76Å; G110-F112 WeakPolarHBondContact O-CD2 3.28Å; G110-F112 WeakPolarHBondContact O-CE2 3.37Å
111	V	98.5	Very high	94.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	124.7	173.2	-175.9	0	0	0	0	108.6	A29 V31 V50 I69 V71 L119 S120	A29-V111 HydrophobicContact CB-CB 4.13Å; A29-V111 HydrophobicContact CB-CG1 3.86Å; V31-V111 HydrophobicContact CG2-CG2 3.7Å; V50-V111 HydrophobicContact CG1-CG1 4.11Å; V50-V111 HydrophobicContact CG1-CG2 4.24Å; V50-V111 HydrophobicContact CG2-CG2 3.97Å; I69-V111 HydrophobicContact CB-CG1 4.07Å; I69-V111 HydrophobicContact CD1-CG1 4.05Å; I69-V111 HydrophobicContact CG2-CG1 4.2Å; V71-V111 HydrophobicContact CG2-CG2 4.36Å; V111-L119 HydrophobicContact CG1-CB 4.45Å; V111-L119 HydrophobicContact CG1-CD1 4.49Å; V111-L119 WeakPolarHBondContact O-CB 3.39Å; V111-L119 PolarHBondContact O-N 2.84Å; V111-S120 PolarHBondContact N-OG 2.88Å; V111-S120 PolarHBondContact O-N 3.36Å
112	F	98.2	Very high	94.7	Very high	21 Å²	21	42.7 Å²	42.7	9%	0.092	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	152.1	-177.9	-60.9	-98	0	0	0	110.4	I69 D70 R72 W74 G110 G116 K117 L118	I69-F112 CarbonylContact C-O 3.55Å; I69-F112 VanDerWaalsContact CA-O 3.29Å; I69-F112 WeakPolarHBondContact CA-O 3.01Å; D70-F112 HydrophobicContact CB-CB 4.36Å; D70-F112 PolarHBondContact N-O 2.97Å; D70-F112 PolarHBondContact O-N 3Å; R72-F112 HydrophobicContact CB-CD2 4.1Å; R72-F112 HydrophobicContact CB-CE2 3.83Å; R72-F112 HydrophobicContact CG-CD2 3.82Å; R72-F112 HydrophobicContact CG-CE2 3.99Å; W74-F112 HydrophobicContact CH2-CE2 4.42Å; W74-F112 HydrophobicContact CH2-CZ 4.3Å; W74-F112 HydrophobicContact CZ3-CE2 4.17Å; W74-F112 HydrophobicContact CZ3-CZ 4.46Å; G110-F112 WeakPolarHBondContact O-CD2 3.28Å; G110-F112 WeakPolarHBondContact O-CE2 3.37Å; F112-G116 WeakPolarHBondContact CD1-O 3.2Å; F112-K117 CarbonylContact C-O 3.55Å; F112-K117 VanDerWaalsContact CA-O 3.25Å; F112-K117 WeakPolarHBondContact CA-O 3.13Å; F112-L118 HydrophobicContact CD1-CB 4.12Å; F112-L118 HydrophobicContact CD1-CD1 4.08Å; F112-L118 HydrophobicContact CD2-CD1 4.43Å; F112-L118 HydrophobicContact CE1-CB 3.98Å; F112-L118 HydrophobicContact CE1-CD1 3.68Å; F112-L118 HydrophobicContact CE1-CG 4.4Å; F112-L118 HydrophobicContact CE2-CD1 4.02Å; F112-L118 HydrophobicContact CG-CD1 4.45Å; F112-L118 HydrophobicContact CZ-CD1 3.65Å
113	S	95.1	Very high	95	Very high	18 Å²	18	44.1 Å²	44.1	13%	0.126	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	166.6	164.6	70.4	0	0	0	0	110.2	S115 G116 K117	S113-S115 PolarHBondContact O-N 2.85Å; S113-S115 PolarHBondContact OG-N 3.33Å; S113-S115 PolarHBondContact OG-OG 2.01Å; S113-G116 PolarHBondContact O-N 3.32Å; S113-G116 PolarHBondContact OG-N 2.98Å; S113-K117 PolarHBondContact N-O 3.04Å; S113-K117 WeakPolarHBondContact OG-CB 3.15Å; S113-K117 PolarHBondContact OG-N 2.86Å
114	K	89	Confident	95.2	Very high	173 Å²	173	46.4 Å²	46.4	75%	0.752	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-29	170	-168.6	172.8	-176.9	174.8	0	113.9	G116	K114-G116 VanDerWaalsContact C-N 3.26Å; K114-G116 PolarHBondContact O-N 2.76Å
115	S	91.5	Very high	95.3	Very high	109 Å²	109	46.3 Å²	46.3	76%	0.762	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-1.4	174.7	59.1	0	0	0	0	114.1	S113	S113-S115 PolarHBondContact O-N 2.85Å; S113-S115 PolarHBondContact OG-N 3.33Å; S113-S115 PolarHBondContact OG-OG 2.01Å
116	G	94.4	Very high	95.4	Very high	32 Å²	32	49.8 Å²	49.8	33%	0.33	26%	0.261	S	S	.	.	S	Bend	trans	85.4	6.8	-179.5	0	0	0	0	0	115	F112 S113 K114	F112-G116 WeakPolarHBondContact CD1-O 3.2Å; S113-G116 PolarHBondContact O-N 3.32Å; S113-G116 PolarHBondContact OG-N 2.98Å; K114-G116 VanDerWaalsContact C-N 3.26Å; K114-G116 PolarHBondContact O-N 2.76Å
117	K	95.5	Very high	95.3	Very high	126 Å²	126	49.5 Å²	49.5	55%	0.548	26%	0.259	S	S	.	.			trans	-70.9	130.5	172.9	-177.5	-172.6	175	-169.3	0	109.2	F112 S113 L119	F112-K117 CarbonylContact C-O 3.55Å; F112-K117 VanDerWaalsContact CA-O 3.25Å; F112-K117 WeakPolarHBondContact CA-O 3.13Å; S113-K117 PolarHBondContact N-O 3.04Å; S113-K117 WeakPolarHBondContact OG-CB 3.15Å; S113-K117 PolarHBondContact OG-N 2.86Å; K117-L119 PolarHBondContact O-N 2.88Å
118	L	97.6	Very high	94.7	Very high	68 Å²	68	54.8 Å²	54.8	36%	0.356	30%	0.303	S	S	.	.	B	Isolated β-bridge	trans	-68.5	123.8	173.8	-177.1	69.3	0	0	0	110.1	F112 S120 K122	F112-L118 HydrophobicContact CD1-CB 4.12Å; F112-L118 HydrophobicContact CD1-CD1 4.08Å; F112-L118 HydrophobicContact CD2-CD1 4.43Å; F112-L118 HydrophobicContact CE1-CB 3.98Å; F112-L118 HydrophobicContact CE1-CD1 3.68Å; F112-L118 HydrophobicContact CE1-CG 4.4Å; F112-L118 HydrophobicContact CE2-CD1 4.02Å; F112-L118 HydrophobicContact CG-CD1 4.45Å; F112-L118 HydrophobicContact CZ-CD1 3.65Å; L118-S120 WeakPolarHBondContact CD1-O 3.41Å; L118-S120 VanDerWaalsContact CD2-O 3.27Å; L118-S120 WeakPolarHBondContact CD2-O 3.4Å; L118-S120 WeakPolarHBondContact CG-O 3.07Å; L118-K122 HydrophobicContact CD2-CG 4.18Å
119	L	97.5	Very high	94.1	Very high	10 Å²	10	58 Å²	58	5%	0.052	32%	0.319	C	S	.	.			trans	-100.9	-18.2	-178	-63.8	176.8	0	0	0	113.3	I26 R28 A29 I69 V111 K117	I26-L119 HydrophobicContact CG2-CD1 3.71Å; I26-L119 HydrophobicContact CG2-CD2 4.24Å; R28-L119 CarbonylContact C-O 3.48Å; R28-L119 WeakPolarHBondContact CA-O 3.33Å; R28-L119 WeakPolarHBondContact CB-O 3.32Å; A29-L119 HydrophobicContact CB-CB 3.92Å; A29-L119 PolarHBondContact N-O 2.59Å; I69-L119 HydrophobicContact CG2-CD1 3.99Å; V111-L119 HydrophobicContact CG1-CB 4.45Å; V111-L119 HydrophobicContact CG1-CD1 4.49Å; V111-L119 WeakPolarHBondContact O-CB 3.39Å; V111-L119 PolarHBondContact O-N 2.84Å; K117-L119 PolarHBondContact O-N 2.88Å
120	S	97.2	Very high	93.7	Very high	12 Å²	12	58.5 Å²	58.5	8%	0.084	33%	0.325	C	S	.	.	S	Bend	trans	-123.8	166.8	179.8	72.5	0	0	0	0	111.5	V111 L118	V111-S120 PolarHBondContact N-OG 2.88Å; V111-S120 PolarHBondContact O-N 3.36Å; L118-S120 WeakPolarHBondContact CD1-O 3.41Å; L118-S120 VanDerWaalsContact CD2-O 3.27Å; L118-S120 WeakPolarHBondContact CD2-O 3.4Å; L118-S120 WeakPolarHBondContact CG-O 3.07Å
121	S	96.1	Very high	93.3	Very high	84 Å²	84	58.7 Å²	58.7	59%	0.587	33%	0.326	S	S	*	.			trans	-58.5	158.7	158.2	-61.9	0	0	0	0	110.4	Y123	S121-Y123 WeakPolarHBondContact O-CD2 3.32Å; S121-Y123 WeakPolarHBondContact O-CE2 3.27Å
122	K	96.2	Very high	93	Very high	124 Å²	124	58.7 Å²	58.7	54%	0.539	33%	0.326	S	S	.	.			trans	-81.9	130	167.2	-66.9	-179	-177.7	174.1	0	108.7	W74 L108 V109 L118	W74-K122 HydrophobicContact CH2-CD 4.4Å; W74-K122 HydrophobicContact CZ2-CD 4.33Å; L108-K122 HydrophobicContact CD2-CB 4.4Å; V109-K122 CarbonylContact O-C 3.42Å; V109-K122 WeakPolarHBondContact O-CA 3.08Å; L118-K122 HydrophobicContact CD2-CG 4.18Å
123	Y	97	Very high	92.8	Very high	60 Å²	60	58 Å²	58	24%	0.235	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	119	179.9	-61.4	-91.9	0	0	0	109.5	V31 I36 L108 V109 S121 L125	V31-Y123 HydrophobicContact CB-CD2 4.36Å; V31-Y123 HydrophobicContact CB-CE2 3.62Å; V31-Y123 HydrophobicContact CG1-CE2 4.3Å; V31-Y123 HydrophobicContact CG2-CD2 4.5Å; V31-Y123 HydrophobicContact CG2-CE2 3.68Å; I36-Y123 HydrophobicContact CD1-CG 4.3Å; I36-Y123 HydrophobicContact CG2-CD1 3.42Å; I36-Y123 VanDerWaalsContact CG2-CD1 3.42Å; I36-Y123 HydrophobicContact CG2-CE1 3.72Å; I36-Y123 HydrophobicContact CG2-CG 4.06Å; L108-Y123 CarbonylContact C-O 3.54Å; L108-Y123 WeakPolarHBondContact CA-O 3.21Å; V109-Y123 PolarHBondContact N-O 2.87Å; V109-Y123 PolarHBondContact O-N 2.69Å; S121-Y123 WeakPolarHBondContact O-CD2 3.32Å; S121-Y123 WeakPolarHBondContact O-CE2 3.27Å; Y123-L125 PolarHBondContact O-N 2.99Å
124	L	95.5	Very high	92.6	Very high	62 Å²	62	57.1 Å²	57.1	33%	0.325	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	109.2	173.7	-179.1	61.1	0	0	0	109.3	N106 L108 K126	N106-L124 HydrophobicContact CB-CD1 3.88Å; L108-L124 HydrophobicContact CD2-CB 3.88Å; L108-L124 HydrophobicContact CD2-CD1 3.96Å; L108-L124 HydrophobicContact CG-CD1 4.21Å; L124-K126 HydrophobicContact CD2-CD 3.73Å; L124-K126 VanDerWaalsContact CD2-CE 3.47Å; L124-K126 HydrophobicContact CD2-CG 4.4Å; L124-K126 HydrophobicContact CG-CD 3.98Å; L124-K126 HydrophobicContact CG-CG 4.15Å
125	L	95.4	Very high	92.7	Very high	1 Å²	1	50 Å²	50	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	119.6	173.7	-42.5	-170.3	0	0	0	107.8	A35 I36 P39 L98 L107 V109 Y123 L132	A35-L125 WeakPolarHBondContact O-CD2 3.1Å; I36-L125 HydrophobicContact CD1-CD2 3.85Å; P39-L125 HydrophobicContact CB-CB 4.06Å; P39-L125 HydrophobicContact CG-CD2 4.36Å; L98-L125 HydrophobicContact CD2-CD1 3.99Å; L107-L125 HydrophobicContact CB-CB 4.29Å; L107-L125 PolarHBondContact N-O 2.84Å; L107-L125 WeakPolarHBondContact O-CB 3.26Å; L107-L125 PolarHBondContact O-N 2.86Å; V109-L125 HydrophobicContact CG2-CD1 3.55Å; V109-L125 HydrophobicContact CG2-CD2 4.14Å; V109-L125 HydrophobicContact CG2-CG 3.79Å; Y123-L125 PolarHBondContact O-N 2.99Å; L125-L132 HydrophobicContact CB-CD1 4.13Å; L125-L132 HydrophobicContact CB-CD2 3.66Å; L125-L132 HydrophobicContact CB-CG 4.44Å; L125-L132 WeakPolarHBondContact O-CD1 3.4Å
126	K	91.1	Very high	92.6	Very high	95 Å²	95	47.8 Å²	47.8	41%	0.413	27%	0.266	S	S	.	.			trans	-165.6	158.4	174	59.2	178.9	-179.4	-179.4	0	111	L124 T131	L124-K126 HydrophobicContact CD2-CD 3.73Å; L124-K126 VanDerWaalsContact CD2-CE 3.47Å; L124-K126 HydrophobicContact CD2-CG 4.4Å; L124-K126 HydrophobicContact CG-CD 3.98Å; L124-K126 HydrophobicContact CG-CG 4.15Å; K126-T131 CarbonylContact C-O 3.6Å
127	D	87.4	Confident	92.5	Very high	30 Å²	30	46.5 Å²	46.5	16%	0.16	25%	0.252	C	S	.	.			trans	-85.7	-169.7	159.8	65	22.4	0	0	0	111.2	K40 L129 G130 T131	K40-D127 HydrophobicContact CB-CB 3.74Å; D127-L129 VanDerWaalsContact C-N 3.26Å; D127-L129 PolarHBondContact O-N 3.06Å; D127-L129 VanDerWaalsContact OD1-CA 3.31Å; D127-L129 WeakPolarHBondContact OD1-CA 3.33Å; D127-L129 WeakPolarHBondContact OD1-CB 3.37Å; D127-L129 PolarHBondContact OD1-N 2.73Å; D127-G130 PolarHBondContact O-N 2.77Å; D127-G130 PolarHBondContact OD1-N 2.73Å; D127-T131 PolarHBondContact N-O 3.38Å; D127-T131 PolarHBondContact OD1-N 2.74Å; D127-T131 PolarHBondContact OD1-OG1 3.15Å; D127-T131 PolarHBondContact OD2-OG1 2.88Å
128	A	83.8	Confident	92.3	Very high	110 Å²	110	43 Å²	43	91%	0.909	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-26	178	0	0	0	0	0	113.6	G130	A128-G130 VanDerWaalsContact C-N 3.33Å
129	L	83.9	Confident	92	Very high	82 Å²	82	40.9 Å²	40.9	43%	0.429	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	4.2	178.2	-61.6	176.5	0	0	0	112.4	D127 T131 K504	D127-L129 VanDerWaalsContact C-N 3.26Å; D127-L129 PolarHBondContact O-N 3.06Å; D127-L129 VanDerWaalsContact OD1-CA 3.31Å; D127-L129 WeakPolarHBondContact OD1-CA 3.33Å; D127-L129 WeakPolarHBondContact OD1-CB 3.37Å; D127-L129 PolarHBondContact OD1-N 2.73Å; L129-T131 VanDerWaalsContact C-N 3.31Å; L129-K504 HydrophobicContact CD1-CB 4.21Å
130	G	88.3	Confident	91.9	Very high	11 Å²	11	41.5 Å²	41.5	11%	0.113	24%	0.235	C	C	.	.	S	Bend	trans	78.6	13.7	-177.6	0	0	0	0	0	114	A105 N106 D127 A128	A105-G130 WeakPolarHBondContact CA-O 3.2Å; N106-G130 PolarHBondContact N-O 2.9Å; N106-G130 PolarHBondContact OD1-O 3.43Å; D127-G130 PolarHBondContact O-N 2.77Å; D127-G130 PolarHBondContact OD1-N 2.73Å; A128-G130 VanDerWaalsContact C-N 3.33Å
131	T	90.2	Very high	91.7	Very high	4 Å²	4	43 Å²	43	3%	0.025	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	166.5	-175.1	49.9	0	0	0	0	113.5	T103 C104 K126 D127 L129	T103-T131 HydrophobicContact CG2-CG2 4.13Å; C104-T131 CarbonylContact O-C 3.58Å; C104-T131 VanDerWaalsContact O-CA 3.27Å; C104-T131 WeakPolarHBondContact O-CA 3.31Å; K126-T131 CarbonylContact C-O 3.6Å; D127-T131 PolarHBondContact N-O 3.38Å; D127-T131 PolarHBondContact OD1-N 2.74Å; D127-T131 PolarHBondContact OD1-OG1 3.15Å; D127-T131 PolarHBondContact OD2-OG1 2.88Å; L129-T131 VanDerWaalsContact C-N 3.31Å
132	L	92.9	Very high	91.7	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	114.1	165.1	-60.3	105.5	0	0	0	108.9	P39 L100 T103 C104 L107 L125	P39-L132 HydrophobicContact CB-CD2 4.27Å; L100-L132 HydrophobicContact CD1-CB 3.59Å; L100-L132 WeakPolarHBondContact CD1-O 3.18Å; T103-L132 CarbonylContact C-O 3.6Å; T103-L132 VanDerWaalsContact CA-O 3.26Å; T103-L132 WeakPolarHBondContact CA-O 3.32Å; C104-L132 PolarHBondContact N-O 3.23Å; C104-L132 PolarHBondContact O-N 3Å; L107-L132 HydrophobicContact CB-CD1 3.98Å; L107-L132 HydrophobicContact CD1-CD1 4.06Å; L107-L132 HydrophobicContact CG-CD1 3.89Å; L125-L132 HydrophobicContact CB-CD1 4.13Å; L125-L132 HydrophobicContact CB-CD2 3.66Å; L125-L132 HydrophobicContact CB-CG 4.44Å; L125-L132 WeakPolarHBondContact O-CD1 3.4Å
133	D	92.8	Very high	91.8	Very high	6 Å²	6	37.8 Å²	37.8	3%	0.032	22%	0.217	C	C	.	.			trans	-72.5	142.7	179.3	-78.1	-27.4	0	0	0	113	V42 R46 T103 C137 C499 S500	V42-D133 HydrophobicContact CG2-CB 4.03Å; R46-D133 VanDerWaalsContact CZ-O 3.26Å; R46-D133 PolarHBondContact NH1-O 3.22Å; R46-D133 PolarHBondContact NH2-O 3.08Å; T103-D133 WeakPolarHBondContact CG2-OD1 3.44Å; T103-D133 PolarHBondContact OG1-OD1 2.87Å; D133-C137 HydrophobicContact CB-CB 3.89Å; D133-C499 WeakPolarHBondContact OD1-CA 3.41Å; D133-S500 PolarHBondContact OD1-N 2.73Å; D133-S500 WeakPolarHBondContact OD2-CB 3.49Å; D133-S500 PolarHBondContact OD2-N 2.93Å; D133-S500 PolarHBondContact OD2-OG 3.33Å
134	A	91.8	Very high	91.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.232	C	C	.	.			trans	-73.7	160	167	0	0	0	0	0	111	L100 I136 C137	L100-A134 HydrophobicContact CB-CB 3.97Å; L100-A134 WeakPolarHBondContact O-CB 3.29Å; A134-I136 HydrophobicContact CB-CG1 3.95Å; A134-I136 PolarHBondContact O-N 3.07Å; A134-C137 WeakPolarHBondContact O-CB 3.42Å; A134-C137 PolarHBondContact O-N 3.3Å
135	D	90.7	Very high	91.7	Very high	23 Å²	23	41.9 Å²	41.9	12%	0.123	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-23.2	-179.5	-172	71.4	0	0	0	114	P44 C137 R228 K229	P44-D135 WeakPolarHBondContact CA-OD1 3.26Å; P44-D135 WeakPolarHBondContact CD-OD1 3.38Å; P44-D135 WeakPolarHBondContact CG-OD1 3.43Å; D135-C137 VanDerWaalsContact C-N 3.25Å; D135-C137 PolarHBondContact O-N 2.96Å; D135-R228 PolarHBondContact O-NE 2.93Å; D135-R228 IonicContact OD2-CZ 2.87Å; D135-R228 IonicContact OD2-NH2 3.61Å; D135-R228 PolarHBondContact OD2-NH2 3.34Å; D135-K229 VanDerWaalsContact OD1-CE 3.3Å; D135-K229 WeakPolarHBondContact OD1-CE 3.38Å; D135-K229 IonicContact OD1-NZ 3.65Å; D135-K229 PolarHBondContact OD1-NZ 3.34Å
136	I	89.4	Confident	91.8	Very high	63 Å²	63	42 Å²	42	32%	0.323	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-16.5	177.9	62.5	172.2	0	0	0	113.4	A134 D138 K495 Q496	A134-I136 HydrophobicContact CB-CG1 3.95Å; A134-I136 PolarHBondContact O-N 3.07Å; I136-D138 PolarHBondContact O-N 2.99Å; I136-K495 HydrophobicContact CD1-CB 3.77Å; I136-K495 HydrophobicContact CD1-CD 3.79Å; I136-K495 HydrophobicContact CD1-CG 4.42Å; I136-Q496 PolarHBondContact O-NE2 3.39Å
137	C	91.7	Very high	92	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.034	23%	0.226	C	C	.	.			trans	-69.1	129.6	179.7	-73.5	0	0	0	0	110.6	T103 D133 A134 D135 C139 C499	T103-C137 PolarHBondContact OG1-SG 3.38Å; D133-C137 HydrophobicContact CB-CB 3.89Å; A134-C137 WeakPolarHBondContact O-CB 3.42Å; A134-C137 PolarHBondContact O-N 3.3Å; D135-C137 VanDerWaalsContact C-N 3.25Å; D135-C137 PolarHBondContact O-N 2.96Å; C137-C139 PolarHBondContact O-N 3.14Å; C137-C499 WeakPolarHBondContact CA-SG 3.44Å; C137-C499 HydrophobicContact CB-CB 3.64Å; C137-C499 WeakPolarHBondContact CB-SG 3.38Å; C137-C499 WeakPolarHBondContact SG-CB 3.33Å; C137-C499 CovalentContact SG-SG 2.04Å; C137-C499 PolarHBondContact SG-SG 3.04Å
138	D	91.5	Very high	92.4	Very high	51 Å²	51	41.4 Å²	41.4	27%	0.273	25%	0.247	S	C	.	.			trans	-95.4	76	174.8	-165.7	9.8	0	0	0	108.8	I136 P140 R228 C501	I136-D138 PolarHBondContact O-N 2.99Å; D138-P140 WeakPolarHBondContact O-CD 3.28Å; D138-R228 HydrophobicContact CB-CG 4.21Å; D138-R228 WeakPolarHBondContact OD1-CA 3.12Å; D138-C501 PolarHBondContact O-SG 3.4Å
139	C	92	Very high	92.9	Very high	24 Å²	24	36.8 Å²	36.8	16%	0.162	21%	0.207	C	C	.	.			trans	-124.1	65.4	-178.7	-62.8	0	0	0	0	110.2	C137 R228 C501	C137-C139 PolarHBondContact O-N 3.14Å; C139-R228 CarbonylContact C-O 3.57Å; C139-R228 VanDerWaalsContact C-O 3.3Å; C139-R228 PolarHBondContact N-O 2.81Å; C139-C501 WeakPolarHBondContact CA-SG 3.47Å; C139-C501 HydrophobicContact CB-CB 3.63Å; C139-C501 WeakPolarHBondContact CB-SG 3.4Å; C139-C501 WeakPolarHBondContact SG-CB 3.28Å; C139-C501 PolarHBondContact SG-N 3.2Å; C139-C501 VanDerWaalsContact SG-N 3.4Å; C139-C501 CovalentContact SG-SG 2.04Å; C139-C501 PolarHBondContact SG-SG 3.38Å
140	P	94.1	Very high	93.5	Very high	24 Å²	24	32.9 Å²	32.9	16%	0.156	19%	0.187	C	C	.	.			trans	-65.4	138	-179.8	24.9	-33.8	0	0	0	112.5	D138 T227 W231	D138-P140 WeakPolarHBondContact O-CD 3.28Å; P140-T227 WeakPolarHBondContact CB-O 3.4Å; P140-W231 HydrophobicContact CB-CD2 4.11Å; P140-W231 HydrophobicContact CB-CG 4.04Å; P140-W231 HydrophobicContact CB-CZ2 4.4Å; P140-W231 HydrophobicContact CG-CD2 4.04Å; P140-W231 HydrophobicContact CG-CG 4.46Å; P140-W231 HydrophobicContact CG-CH2 4.19Å; P140-W231 HydrophobicContact CG-CZ2 3.47Å; P140-W231 VanDerWaalsContact CG-CZ2 3.47Å; P140-W231 PolarHBondContact O-NE1 3.17Å
141	M	94.1	Very high	93.9	Very high	43 Å²	43	39.2 Å²	39.2	21%	0.212	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	161.4	170.4	68.1	-175.5	49.2	0	0	111.1	V143 E145 W146 K229 V230 W231	M141-V143 PolarHBondContact O-N 3.11Å; M141-E145 HydrophobicContact SD-CG 4.35Å; M141-W146 HydrophobicContact CG-CB 3.68Å; M141-W146 HydrophobicContact CG-CG 4.28Å; M141-W146 VanDerWaalsContact SD-CA 3.58Å; M141-W146 HydrophobicContact SD-CB 3.84Å; M141-W146 HydrophobicContact SD-CG 4.23Å; M141-K229 PolarHBondContact N-O 3.4Å; M141-V230 WeakPolarHBondContact O-CA 3.4Å; M141-W231 PolarHBondContact O-N 3.25Å
142	P	96.6	Very high	94.1	Very high	75 Å²	75	39.9 Å²	39.9	49%	0.487	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	140	174.4	-26.7	35.8	0	0	0	111.8	E144 E145 W146	P142-E144 VanDerWaalsContact C-N 3.32Å; P142-E144 PolarHBondContact O-N 2.97Å; P142-E145 HydrophobicContact CB-CB 4.29Å; P142-E145 WeakPolarHBondContact O-CB 3.39Å; P142-E145 PolarHBondContact O-N 3.21Å; P142-W146 PolarHBondContact O-N 3.42Å
143	V	96.9	Very high	94.1	Very high	23 Å²	23	44.6 Å²	44.6	14%	0.139	23%	0.23	C	C	.	.	H	α-helix	trans	-58.2	-40.4	-172.4	65.5	0	0	0	0	113.9	M141 E145 W146 K147 V230 I463 L467	M141-V143 PolarHBondContact O-N 3.11Å; V143-E145 VanDerWaalsContact C-N 3.35Å; V143-E145 PolarHBondContact O-N 3.1Å; V143-W146 PolarHBondContact O-N 2.68Å; V143-K147 HydrophobicContact CG2-CD 4.09Å; V143-K147 HydrophobicContact CG2-CG 4.45Å; V143-K147 VanDerWaalsContact O-CG 3.29Å; V143-K147 WeakPolarHBondContact O-CG 3.27Å; V143-K147 PolarHBondContact O-N 3.23Å; V143-V230 HydrophobicContact CB-CG1 3.69Å; V143-V230 HydrophobicContact CG2-CG1 3.71Å; V143-I463 HydrophobicContact CG2-CG2 3.61Å; V143-L467 HydrophobicContact CG1-CD2 4.19Å; V143-L467 HydrophobicContact CG2-CD1 3.8Å; V143-L467 HydrophobicContact CG2-CD2 4.09Å; V143-L467 HydrophobicContact CG2-CG 4.32Å
144	E	95.8	Very high	94.1	Very high	115 Å²	115	51.1 Å²	51.1	54%	0.537	26%	0.26	S	S	.	.	H	α-helix	trans	-68.8	-35	178.2	-62.7	-52.1	136.2	0	0	112	P142 K147 A148	P142-E144 VanDerWaalsContact C-N 3.32Å; P142-E144 PolarHBondContact O-N 2.97Å; E144-K147 PolarHBondContact O-N 2.59Å; E144-K147 IonicContact OE1-NZ 2.99Å; E144-K147 IonicContact OE2-NZ 3.35Å; E144-A148 WeakPolarHBondContact O-CB 3.48Å; E144-A148 PolarHBondContact O-N 2.88Å
145	E	95.5	Very high	94.2	Very high	94 Å²	94	55 Å²	55	44%	0.439	28%	0.281	S	S	.	.	H	α-helix	trans	-66.8	-41.8	173.6	-171.8	-174	162	0	0	111.3	M141 P142 V143 A148 T149	M141-E145 HydrophobicContact SD-CG 4.35Å; P142-E145 HydrophobicContact CB-CB 4.29Å; P142-E145 WeakPolarHBondContact O-CB 3.39Å; P142-E145 PolarHBondContact O-N 3.21Å; V143-E145 VanDerWaalsContact C-N 3.35Å; V143-E145 PolarHBondContact O-N 3.1Å; E145-A148 PolarHBondContact O-N 2.83Å; E145-T149 VanDerWaalsContact O-CB 3.31Å; E145-T149 WeakPolarHBondContact O-CB 3.33Å; E145-T149 PolarHBondContact O-N 3.2Å; E145-T149 PolarHBondContact O-OG1 2.68Å
146	W	96.3	Very high	94.5	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.015	28%	0.278	C	S	.	.	H	α-helix	trans	-62.9	-45.8	176.2	-170.6	93.7	0	0	0	111.2	L41 M141 P142 V143 A148 T149 A150 V230 Y459 I463	L41-W146 HydrophobicContact CD1-CZ2 3.85Å; M141-W146 HydrophobicContact CG-CB 3.68Å; M141-W146 HydrophobicContact CG-CG 4.28Å; M141-W146 VanDerWaalsContact SD-CA 3.58Å; M141-W146 HydrophobicContact SD-CB 3.84Å; M141-W146 HydrophobicContact SD-CG 4.23Å; P142-W146 PolarHBondContact O-N 3.42Å; V143-W146 PolarHBondContact O-N 2.68Å; W146-A148 PolarHBondContact O-N 2.74Å; W146-T149 CarbonylContact O-C 3.54Å; W146-T149 WeakPolarHBondContact O-CB 3.32Å; W146-T149 PolarHBondContact O-N 2.95Å; W146-A150 HydrophobicContact CD2-CB 4.36Å; W146-A150 HydrophobicContact CE3-CB 3.96Å; W146-A150 HydrophobicContact CH2-CB 3.77Å; W146-A150 HydrophobicContact CZ2-CB 4.23Å; W146-A150 HydrophobicContact CZ3-CB 3.64Å; W146-A150 VanDerWaalsContact O-CB 3.31Å; W146-A150 WeakPolarHBondContact O-CB 3.5Å; W146-A150 PolarHBondContact O-N 3.4Å; W146-V230 HydrophobicContact CB-CG2 3.74Å; W146-V230 VanDerWaalsContact CD1-CG2 3.46Å; W146-V230 HydrophobicContact CD2-CG2 3.57Å; W146-V230 HydrophobicContact CE3-CG2 4.24Å; W146-V230 HydrophobicContact CG-CG2 3.29Å; W146-Y459 HydrophobicContact CH2-CG 4.45Å; W146-Y459 HydrophobicContact CZ2-CD1 4.32Å; W146-Y459 HydrophobicContact CZ2-CG 4.45Å; W146-I463 HydrophobicContact CD2-CD1 4.12Å; W146-I463 HydrophobicContact CE3-CD1 3.56Å; W146-I463 HydrophobicContact CH2-CD1 3.81Å; W146-I463 HydrophobicContact CZ2-CD1 4.28Å; W146-I463 HydrophobicContact CZ3-CD1 3.4Å
147	K	96.6	Very high	94.9	Very high	38 Å²	38	51.8 Å²	51.8	17%	0.165	26%	0.264	C	S	.	.	H	α-helix	trans	-61.9	-43.5	178.4	-72.7	170.7	71.1	-179.5	0	111.9	V143 E144 T149 A150 R151 C152 E464 L467	V143-K147 HydrophobicContact CG2-CD 4.09Å; V143-K147 HydrophobicContact CG2-CG 4.45Å; V143-K147 VanDerWaalsContact O-CG 3.29Å; V143-K147 WeakPolarHBondContact O-CG 3.27Å; V143-K147 PolarHBondContact O-N 3.23Å; E144-K147 PolarHBondContact O-N 2.59Å; E144-K147 IonicContact OE1-NZ 2.99Å; E144-K147 IonicContact OE2-NZ 3.35Å; K147-T149 VanDerWaalsContact C-N 3.34Å; K147-A150 PolarHBondContact O-N 3.01Å; K147-R151 PolarHBondContact O-N 3.16Å; K147-C152 PolarHBondContact O-N 3.04Å; K147-E464 VanDerWaalsContact CE-OE2 3.25Å; K147-E464 WeakPolarHBondContact CE-OE2 3.29Å; K147-E464 IonicContact NZ-OE2 3Å; K147-E464 PolarHBondContact NZ-OE2 2.9Å; K147-L467 HydrophobicContact CD-CD1 3.9Å
148	A	95.2	Very high	95.2	Very high	74 Å²	74	57.3 Å²	57.3	61%	0.612	29%	0.288	S	S	*	.	H	α-helix	trans	-62	-43.4	175	0	0	0	0	0	111.3	E144 E145 W146 R151	E144-A148 WeakPolarHBondContact O-CB 3.48Å; E144-A148 PolarHBondContact O-N 2.88Å; E145-A148 PolarHBondContact O-N 2.83Å; W146-A148 PolarHBondContact O-N 2.74Å; A148-R151 PolarHBondContact O-N 2.82Å
149	T	95.1	Very high	95.5	Very high	12 Å²	12	55.5 Å²	55.5	7%	0.074	28%	0.277	C	S	.	.	H	α-helix	trans	-63.7	-44.2	175.8	-65.6	0	0	0	0	112.1	V38 K40 L41 E145 W146 K147 R151	V38-T149 WeakPolarHBondContact CG1-O 3.45Å; K40-T149 HydrophobicContact CD-CG2 4.16Å; K40-T149 WeakPolarHBondContact CE-OG1 3.06Å; K40-T149 HydrophobicContact CG-CG2 3.83Å; K40-T149 PolarHBondContact NZ-OG1 2.8Å; L41-T149 HydrophobicContact CB-CG2 4.27Å; L41-T149 HydrophobicContact CD1-CG2 4.24Å; E145-T149 VanDerWaalsContact O-CB 3.31Å; E145-T149 WeakPolarHBondContact O-CB 3.33Å; E145-T149 PolarHBondContact O-N 3.2Å; E145-T149 PolarHBondContact O-OG1 2.68Å; W146-T149 CarbonylContact O-C 3.54Å; W146-T149 WeakPolarHBondContact O-CB 3.32Å; W146-T149 PolarHBondContact O-N 2.95Å; K147-T149 VanDerWaalsContact C-N 3.34Å; T149-R151 PolarHBondContact O-N 3.24Å
150	A	96.4	Very high	95.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-70.3	-17.4	178.6	0	0	0	0	0	112.5	L41 W146 K147 C152 R456	L41-A150 HydrophobicContact CD1-CB 3.89Å; L41-A150 HydrophobicContact CD2-CB 4.32Å; W146-A150 HydrophobicContact CD2-CB 4.36Å; W146-A150 HydrophobicContact CE3-CB 3.96Å; W146-A150 HydrophobicContact CH2-CB 3.77Å; W146-A150 HydrophobicContact CZ2-CB 4.23Å; W146-A150 HydrophobicContact CZ3-CB 3.64Å; W146-A150 VanDerWaalsContact O-CB 3.31Å; W146-A150 WeakPolarHBondContact O-CB 3.5Å; W146-A150 PolarHBondContact O-N 3.4Å; K147-A150 PolarHBondContact O-N 3.01Å; A150-C152 VanDerWaalsContact C-N 3.27Å; A150-C152 PolarHBondContact O-N 2.77Å; A150-R456 HydrophobicContact CB-CG 4.36Å; A150-R456 WeakPolarHBondContact O-CD 3.47Å
151	R	95.9	Very high	95.9	Very high	144 Å²	144	57.4 Å²	57.4	54%	0.543	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	48.5	-174.5	-55.1	179.8	-178.7	172.5	0.4	110.9	K147 A148 T149 R153	K147-R151 PolarHBondContact O-N 3.16Å; A148-R151 PolarHBondContact O-N 2.82Å; T149-R151 PolarHBondContact O-N 3.24Å; R151-R153 PolarHBondContact O-N 2.64Å; R151-R153 VanDerWaalsContact O-N 3.17Å
152	C	95.5	Very high	96.1	Very high	19 Å²	19	60.1 Å²	60.1	13%	0.128	30%	0.297	C	S	.	.			trans	-53.6	120.3	-174.3	-68.8	0	0	0	0	111.9	K147 A150 F157 C460	K147-C152 PolarHBondContact O-N 3.04Å; A150-C152 VanDerWaalsContact C-N 3.27Å; A150-C152 PolarHBondContact O-N 2.77Å; C152-F157 HydrophobicContact CB-CZ 4.38Å; C152-C460 WeakPolarHBondContact CA-SG 3.25Å; C152-C460 HydrophobicContact CB-CB 3.63Å; C152-C460 WeakPolarHBondContact CB-SG 3.11Å; C152-C460 WeakPolarHBondContact SG-CB 3.27Å; C152-C460 CovalentContact SG-SG 2.03Å; C152-C460 PolarHBondContact SG-SG 2.85Å
153	R	92.8	Very high	96.2	Very high	100 Å²	100	57.1 Å²	57.1	38%	0.377	28%	0.276	S	S	.	.			trans	-70.7	137.9	170.2	-65.4	-176.4	70.1	152.6	-1.2	109.3	R151 D155 D451	R151-R153 PolarHBondContact O-N 2.64Å; R151-R153 VanDerWaalsContact O-N 3.17Å; R153-D155 IonicContact CZ-OD2 2.82Å; R153-D155 IonicContact NE-OD2 3.52Å; R153-D155 PolarHBondContact NE-OD2 3.47Å; R153-D155 IonicContact NH2-OD2 3.32Å; R153-D155 PolarHBondContact NH2-OD2 3.21Å; R153-D451 WeakPolarHBondContact CD-O 3.33Å; R153-D451 IonicContact CZ-OD2 3.93Å; R153-D451 IonicContact NH1-OD1 2.62Å; R153-D451 PolarHBondContact NH1-OD1 2.97Å; R153-D451 IonicContact NH1-OD2 3.4Å; R153-D451 PolarHBondContact NH1-OD2 3.03Å; R153-D451 IonicContact NH2-OD2 3.03Å
154	Q	92.8	Very high	96.2	Very high	142 Å²	142	56.7 Å²	56.7	66%	0.664	27%	0.273	S	S	*	.			trans	-103.2	4.6	-174.4	-55.9	-175.9	8	0	0	112.6	L156 F157	Q154-L156 PolarHBondContact O-N 3.08Å; Q154-L156 VanDerWaalsContact O-N 3.08Å; Q154-F157 HydrophobicContact CB-CB 4.38Å; Q154-F157 HydrophobicContact CB-CD2 3.87Å; Q154-F157 HydrophobicContact CB-CG 4.25Å; Q154-F157 HydrophobicContact CG-CD2 3.78Å; Q154-F157 HydrophobicContact CG-CE2 4.05Å; Q154-F157 WeakPolarHBondContact O-CB 3.43Å; Q154-F157 PolarHBondContact O-N 2.91Å
155	D	93.4	Very high	96.3	Very high	82 Å²	82	54.7 Å²	54.7	44%	0.439	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-37.1	-173.9	-65.7	-56.8	0	0	0	112.9	R153	R153-D155 IonicContact CZ-OD2 2.82Å; R153-D155 IonicContact NE-OD2 3.52Å; R153-D155 PolarHBondContact NE-OD2 3.47Å; R153-D155 IonicContact NH2-OD2 3.32Å; R153-D155 PolarHBondContact NH2-OD2 3.21Å
156	L	96.7	Very high	96.4	Very high	11 Å²	11	52.5 Å²	52.5	6%	0.058	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-6.9	178.1	-59	-172.1	0	0	0	114.4	Q154 K158 F159 F448 N452 Y461	Q154-L156 PolarHBondContact O-N 3.08Å; Q154-L156 VanDerWaalsContact O-N 3.08Å; L156-K158 VanDerWaalsContact C-N 3.31Å; L156-K158 PolarHBondContact O-N 2.99Å; L156-F159 HydrophobicContact CB-CD2 4.22Å; L156-F159 HydrophobicContact CD2-CD2 4.04Å; L156-F159 HydrophobicContact CD2-CE2 3.78Å; L156-F159 WeakPolarHBondContact O-CB 3.27Å; L156-F159 WeakPolarHBondContact O-CD2 3.31Å; L156-F159 PolarHBondContact O-N 3.33Å; L156-F159 VanDerWaalsContact O-N 3.16Å; L156-F448 HydrophobicContact CD2-CZ 4.47Å; L156-N452 HydrophobicContact CD1-CB 3.9Å; L156-N452 HydrophobicContact CG-CB 4.31Å; L156-Y461 HydrophobicContact CB-CD2 4.11Å; L156-Y461 HydrophobicContact CB-CE2 3.86Å
157	F	97.9	Very high	96.5	Very high	8 Å²	8	52.8 Å²	52.8	4%	0.035	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-25.7	-172.9	-71.6	0.7	0	0	0	113.1	C152 Q154 F159 I160 D161 C460 Y461 E464 R468	C152-F157 HydrophobicContact CB-CZ 4.38Å; Q154-F157 HydrophobicContact CB-CB 4.38Å; Q154-F157 HydrophobicContact CB-CD2 3.87Å; Q154-F157 HydrophobicContact CB-CG 4.25Å; Q154-F157 HydrophobicContact CG-CD2 3.78Å; Q154-F157 HydrophobicContact CG-CE2 4.05Å; Q154-F157 WeakPolarHBondContact O-CB 3.43Å; Q154-F157 PolarHBondContact O-N 2.91Å; F157-F159 PolarHBondContact O-N 3.42Å; F157-F159 VanDerWaalsContact O-N 3.11Å; F157-I160 HydrophobicContact CB-CD1 4.4Å; F157-I160 HydrophobicContact CD1-CD1 3.83Å; F157-I160 HydrophobicContact CE1-CD1 4.4Å; F157-I160 HydrophobicContact CG-CD1 4.25Å; F157-I160 WeakPolarHBondContact O-CA 3.46Å; F157-I160 VanDerWaalsContact O-CB 3.31Å; F157-I160 WeakPolarHBondContact O-CB 3.39Å; F157-I160 PolarHBondContact O-N 3.42Å; F157-D161 PolarHBondContact O-N 2.93Å; F157-C460 HydrophobicContact CZ-CB 4.13Å; F157-Y461 HydrophobicContact CD1-CD2 4.24Å; F157-Y461 HydrophobicContact CE1-CD2 4.3Å; F157-E464 HydrophobicContact CD1-CB 4.45Å; F157-E464 HydrophobicContact CD1-CG 4.31Å; F157-E464 HydrophobicContact CD2-CB 4.34Å; F157-E464 HydrophobicContact CD2-CG 3.65Å; F157-E464 HydrophobicContact CE1-CB 4.02Å; F157-E464 HydrophobicContact CE1-CG 4.29Å; F157-E464 HydrophobicContact CE2-CB 3.88Å; F157-E464 HydrophobicContact CE2-CG 3.61Å; F157-E464 HydrophobicContact CG-CG 4Å; F157-E464 HydrophobicContact CZ-CB 3.7Å; F157-E464 HydrophobicContact CZ-CG 3.94Å; F157-R468 PolarHBondContact O-NH1 3.46Å
158	K	97.5	Very high	96.5	Very high	121 Å²	121	55 Å²	55	53%	0.526	29%	0.29	S	S	.	.	H	α-helix	trans	-55	-28.8	171.2	64.8	-179.8	-179.4	176.9	0	113.1	L156 I160 D161 E162	L156-K158 VanDerWaalsContact C-N 3.31Å; L156-K158 PolarHBondContact O-N 2.99Å; K158-I160 VanDerWaalsContact C-N 3.32Å; K158-D161 WeakPolarHBondContact O-CB 3.26Å; K158-D161 PolarHBondContact O-N 3.42Å; K158-E162 WeakPolarHBondContact O-CG 3.49Å; K158-E162 PolarHBondContact O-N 3.5Å
159	F	97.6	Very high	96.6	Very high	13 Å²	13	58.1 Å²	58.1	6%	0.057	29%	0.292	C	S	.	.	H	α-helix	trans	-73.8	-26.1	177.3	-60.9	-49.2	0	0	0	112.6	L156 F157 E162 D163 R406	L156-F159 HydrophobicContact CB-CD2 4.22Å; L156-F159 HydrophobicContact CD2-CD2 4.04Å; L156-F159 HydrophobicContact CD2-CE2 3.78Å; L156-F159 WeakPolarHBondContact O-CB 3.27Å; L156-F159 WeakPolarHBondContact O-CD2 3.31Å; L156-F159 PolarHBondContact O-N 3.33Å; L156-F159 VanDerWaalsContact O-N 3.16Å; F157-F159 PolarHBondContact O-N 3.42Å; F157-F159 VanDerWaalsContact O-N 3.11Å; F159-E162 WeakPolarHBondContact CD1-OE2 3.48Å; F159-D163 PolarHBondContact O-N 2.75Å; F159-D163 VanDerWaalsContact O-N 3.08Å; F159-R406 HydrophobicContact CD1-CB 3.63Å; F159-R406 HydrophobicContact CD1-CG 4.27Å; F159-R406 HydrophobicContact CD2-CB 4.03Å; F159-R406 HydrophobicContact CE1-CB 3.37Å; F159-R406 HydrophobicContact CE1-CG 4.29Å; F159-R406 HydrophobicContact CE2-CB 3.78Å; F159-R406 HydrophobicContact CG-CB 3.96Å; F159-R406 HydrophobicContact CZ-CB 3.44Å; F159-R406 VanDerWaalsContact CZ-CB 3.44Å; F159-R406 VanDerWaalsContact CZ-O 3.24Å; F159-R406 WeakPolarHBondContact CZ-O 3.37Å; F159-R406 PolarHBondContact O-NH1 2.76Å; F159-R406 PolarHBondContact O-NH2 3.15Å
160	I	98.5	Very high	96.7	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-69.8	-39.3	170.7	-51.6	170	0	0	0	109.5	F157 K158 D163 L164 Y461 E464 V465 R468	F157-I160 HydrophobicContact CB-CD1 4.4Å; F157-I160 HydrophobicContact CD1-CD1 3.83Å; F157-I160 HydrophobicContact CE1-CD1 4.4Å; F157-I160 HydrophobicContact CG-CD1 4.25Å; F157-I160 WeakPolarHBondContact O-CA 3.46Å; F157-I160 VanDerWaalsContact O-CB 3.31Å; F157-I160 WeakPolarHBondContact O-CB 3.39Å; F157-I160 PolarHBondContact O-N 3.42Å; K158-I160 VanDerWaalsContact C-N 3.32Å; I160-D163 PolarHBondContact O-N 2.97Å; I160-L164 HydrophobicContact CG2-CD1 3.81Å; I160-L164 WeakPolarHBondContact O-CB 3.42Å; I160-L164 WeakPolarHBondContact O-CG 3.23Å; I160-L164 PolarHBondContact O-N 3.18Å; I160-Y461 HydrophobicContact CD1-CD1 4.29Å; I160-Y461 HydrophobicContact CD1-CD2 4.19Å; I160-Y461 HydrophobicContact CD1-CE1 4.09Å; I160-Y461 HydrophobicContact CD1-CE2 3.97Å; I160-Y461 HydrophobicContact CD1-CG 4.35Å; I160-Y461 HydrophobicContact CG1-CE1 3.93Å; I160-Y461 HydrophobicContact CG1-CE2 3.86Å; I160-E464 HydrophobicContact CD1-CB 3.94Å; I160-E464 HydrophobicContact CD1-CG 3.87Å; I160-V465 HydrophobicContact CD1-CG2 3.87Å; I160-V465 HydrophobicContact CG1-CG2 4.01Å; I160-V465 HydrophobicContact CG2-CG2 4.05Å; I160-R468 HydrophobicContact CG2-CB 4.4Å
161	D	97.8	Very high	96.8	Very high	88 Å²	88	66.4 Å²	66.4	47%	0.471	33%	0.333	S	S	.	.	H	α-helix	trans	-64.1	-43.3	174.5	-64.4	-43.8	0	0	0	111.9	F157 K158 D163 L164 A165 R468	F157-D161 PolarHBondContact O-N 2.93Å; K158-D161 WeakPolarHBondContact O-CB 3.26Å; K158-D161 PolarHBondContact O-N 3.42Å; D161-D163 VanDerWaalsContact C-N 3.32Å; D161-D163 PolarHBondContact O-N 3.49Å; D161-L164 PolarHBondContact O-N 3.48Å; D161-A165 WeakPolarHBondContact O-CB 3.13Å; D161-A165 PolarHBondContact O-N 2.97Å; D161-R468 IonicContact OD1-CZ 3.99Å; D161-R468 IonicContact OD1-NE 2.75Å; D161-R468 IonicContact OD1-NH1 3.05Å; D161-R468 PolarHBondContact OD1-NH1 3.3Å; D161-R468 IonicContact OD2-CZ 2.59Å; D161-R468 IonicContact OD2-NH1 3.43Å; D161-R468 PolarHBondContact OD2-NH1 3.01Å
162	E	97.6	Very high	96.9	Very high	100 Å²	100	59.9 Å²	59.9	47%	0.467	31%	0.31	S	S	.	.	H	α-helix	trans	-59.6	-42.7	175.2	-73.4	171.3	-160.7	0	0	112.1	K158 F159 A165 R406	K158-E162 WeakPolarHBondContact O-CG 3.49Å; K158-E162 PolarHBondContact O-N 3.5Å; F159-E162 WeakPolarHBondContact CD1-OE2 3.48Å; E162-A165 WeakPolarHBondContact O-CB 3.4Å; E162-A165 PolarHBondContact O-N 3.02Å; E162-R406 IonicContact OE2-CZ 3.31Å; E162-R406 IonicContact OE2-NH1 3.68Å; E162-R406 PolarHBondContact OE2-NH1 2.61Å
163	D	98.1	Very high	96.9	Very high	11 Å²	11	62.2 Å²	62.2	6%	0.059	32%	0.321	C	S	.	.	H	α-helix	trans	-67.4	-38.7	178.9	-71.1	2	0	0	0	111.5	F159 I160 D161 P166 W167 I271 V272 R406	F159-D163 PolarHBondContact O-N 2.75Å; F159-D163 VanDerWaalsContact O-N 3.08Å; I160-D163 PolarHBondContact O-N 2.97Å; D161-D163 VanDerWaalsContact C-N 3.32Å; D161-D163 PolarHBondContact O-N 3.49Å; D163-P166 VanDerWaalsContact O-CD 3.24Å; D163-P166 WeakPolarHBondContact O-CD 3.46Å; D163-W167 VanDerWaalsContact O-CZ3 3.27Å; D163-W167 WeakPolarHBondContact O-CZ3 3.22Å; D163-I271 HydrophobicContact CB-CB 4.37Å; D163-I271 HydrophobicContact CB-CG1 4.26Å; D163-I271 HydrophobicContact CB-CG2 4.24Å; D163-V272 PolarHBondContact OD2-N 3.35Å; D163-R406 IonicContact OD1-CZ 2.71Å; D163-R406 IonicContact OD1-NH1 3.41Å; D163-R406 PolarHBondContact OD1-NH1 3.37Å; D163-R406 IonicContact OD1-NH2 3.84Å; D163-R406 PolarHBondContact OD1-NH2 3.28Å; D163-R406 IonicContact OD2-NH2 3.92Å; D163-R406 PolarHBondContact OD2-NH2 3.07Å
164	L	98.3	Very high	97.1	Very high	14 Å²	14	57.7 Å²	57.7	7%	0.073	30%	0.304	C	S	.	.	H	α-helix	trans	-83.3	-10.8	-179.6	-71.5	169	0	0	0	114.1	I160 D161 P166 W167 I271 R468 Y469 I472	I160-L164 HydrophobicContact CG2-CD1 3.81Å; I160-L164 WeakPolarHBondContact O-CB 3.42Å; I160-L164 WeakPolarHBondContact O-CG 3.23Å; I160-L164 PolarHBondContact O-N 3.18Å; D161-L164 PolarHBondContact O-N 3.48Å; L164-P166 VanDerWaalsContact C-N 3.27Å; L164-P166 WeakPolarHBondContact O-CD 3.38Å; L164-P166 VanDerWaalsContact O-N 3.11Å; L164-W167 PolarHBondContact O-N 3.44Å; L164-I271 HydrophobicContact CD2-CD1 3.51Å; L164-I271 HydrophobicContact CD2-CG1 3.98Å; L164-I271 HydrophobicContact CG-CD1 4.5Å; L164-I271 HydrophobicContact CG-CG1 4.49Å; L164-R468 HydrophobicContact CD1-CB 3.28Å; L164-R468 HydrophobicContact CD1-CG 4.43Å; L164-Y469 HydrophobicContact CD2-CD2 4.5Å; L164-I472 HydrophobicContact CD2-CD1 3.86Å; L164-I472 HydrophobicContact CD2-CG1 4.49Å; L164-I472 HydrophobicContact CD2-CG2 4.2Å
165	A	97.4	Very high	97.2	Very high	74 Å²	74	55.8 Å²	55.8	61%	0.612	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-33.3	-178	0	0	0	0	0	115.6	D161 E162 W167	D161-A165 WeakPolarHBondContact O-CB 3.13Å; D161-A165 PolarHBondContact O-N 2.97Å; E162-A165 WeakPolarHBondContact O-CB 3.4Å; E162-A165 PolarHBondContact O-N 3.02Å; A165-W167 PolarHBondContact O-N 3.18Å
166	P	97.3	Very high	97.3	Very high	47 Å²	47	54.7 Å²	54.7	31%	0.305	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-16.2	175.1	-22.1	34.4	0	0	0	114.9	D163 L164 P256 L269	D163-P166 VanDerWaalsContact O-CD 3.24Å; D163-P166 WeakPolarHBondContact O-CD 3.46Å; L164-P166 VanDerWaalsContact C-N 3.27Å; L164-P166 WeakPolarHBondContact O-CD 3.38Å; L164-P166 VanDerWaalsContact O-N 3.11Å; P166-P256 HydrophobicContact CB-CG 4.32Å; P166-L269 HydrophobicContact CG-CD2 4.02Å
167	W	97.9	Very high	97.3	Very high	10 Å²	10	54.1 Å²	54.1	4%	0.038	28%	0.281	C	S	.	.	S	Bend	trans	-123.5	95.5	-175.4	-56.8	-78.7	0	0	0	111.1	D163 L164 A165 V172 P256 V257 P258 L269 I271 I472	D163-W167 VanDerWaalsContact O-CZ3 3.27Å; D163-W167 WeakPolarHBondContact O-CZ3 3.22Å; L164-W167 PolarHBondContact O-N 3.44Å; A165-W167 PolarHBondContact O-N 3.18Å; W167-V172 HydrophobicContact CB-CG2 3.87Å; W167-V172 VanDerWaalsContact CD1-CG2 3.42Å; W167-V172 HydrophobicContact CG-CG2 3.83Å; W167-P256 HydrophobicContact CZ2-CB 3.91Å; W167-P256 HydrophobicContact CZ2-CG 4.11Å; W167-P256 PolarHBondContact NE1-O 3.4Å; W167-V257 VanDerWaalsContact CZ2-C 3.42Å; W167-V257 WeakPolarHBondContact CZ2-O 3.47Å; W167-P258 HydrophobicContact CD2-CB 3.76Å; W167-P258 HydrophobicContact CE3-CB 4.05Å; W167-P258 HydrophobicContact CG-CB 4.3Å; W167-P258 HydrophobicContact CH2-CB 4.11Å; W167-P258 HydrophobicContact CZ2-CB 3.84Å; W167-P258 HydrophobicContact CZ3-CB 4.2Å; W167-L269 HydrophobicContact CH2-CB 4.06Å; W167-L269 WeakPolarHBondContact CH2-O 3.11Å; W167-I271 HydrophobicContact CE3-CD1 4.4Å; W167-I271 HydrophobicContact CZ3-CD1 4.01Å; W167-I271 HydrophobicContact CZ3-CG1 4Å; W167-I472 HydrophobicContact CB-CB 3.95Å; W167-I472 HydrophobicContact CB-CD1 3.66Å; W167-I472 HydrophobicContact CB-CG1 4.38Å; W167-I472 HydrophobicContact CB-CG2 4.12Å; W167-I472 HydrophobicContact CD2-CD1 4.31Å; W167-I472 HydrophobicContact CE3-CD1 4.48Å; W167-I472 HydrophobicContact CG-CD1 3.97Å; W167-I472 WeakPolarHBondContact O-CG2 3.33Å
168	P	96.6	Very high	97.1	Very high	86 Å²	86	54.4 Å²	54.4	56%	0.558	28%	0.282	S	S	*	.			trans	-57.7	165.1	173	-25.1	34.8	0	0	0	113.5	K170 S171	P168-K170 PolarHBondContact O-N 3.5Å; P168-S171 WeakPolarHBondContact CD-OG 3.34Å; P168-S171 VanDerWaalsContact O-CB 3.28Å; P168-S171 WeakPolarHBondContact O-CB 3.21Å; P168-S171 PolarHBondContact O-N 3.28Å; P168-S171 VanDerWaalsContact O-N 3.1Å; P168-S171 PolarHBondContact O-OG 3.15Å
169	E	97.7	Very high	96.9	Very high	138 Å²	138	52 Å²	52	65%	0.645	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	131.4	176	178	168.3	177.6	0	0	111.1	S171 K471	E169-S171 PolarHBondContact O-N 2.99Å; E169-K471 WeakPolarHBondContact CA-O 3.4Å; E169-K471 WeakPolarHBondContact CG-O 3.48Å
170	K	97.3	Very high	96.7	Very high	134 Å²	134	52.6 Å²	52.6	58%	0.583	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	29.1	-177.8	-59.1	173.1	-172.3	179.1	0	114.6	P168 K471 I472 Q474	P168-K170 PolarHBondContact O-N 3.5Å; K170-K471 PolarHBondContact N-O 3.18Å; K170-I472 CarbonylContact C-O 3.59Å; K170-Q474 WeakPolarHBondContact O-CG 3.2Å
171	S	97.6	Very high	96.4	Very high	52 Å²	52	52.6 Å²	52.6	36%	0.364	28%	0.278	S	S	.	.			trans	-90	-17.2	178.3	77	0	0	0	0	114.2	P168 E169 I472	P168-S171 WeakPolarHBondContact CD-OG 3.34Å; P168-S171 VanDerWaalsContact O-CB 3.28Å; P168-S171 WeakPolarHBondContact O-CB 3.21Å; P168-S171 PolarHBondContact O-N 3.28Å; P168-S171 VanDerWaalsContact O-N 3.1Å; P168-S171 PolarHBondContact O-OG 3.15Å; E169-S171 PolarHBondContact O-N 2.99Å; S171-I472 PolarHBondContact N-O 2.67Å
172	V	97.8	Very high	96.1	Very high	8 Å²	8	52 Å²	52	5%	0.048	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-99	115.2	-171.6	178.4	0	0	0	0	111.2	W167 F174 V177 P258 I472 L473 Q474	W167-V172 HydrophobicContact CB-CG2 3.87Å; W167-V172 VanDerWaalsContact CD1-CG2 3.42Å; W167-V172 HydrophobicContact CG-CG2 3.83Å; V172-F174 PolarHBondContact O-N 3.07Å; V172-V177 HydrophobicContact CG1-CG2 3.56Å; V172-P258 HydrophobicContact CG1-CG 3.94Å; V172-P258 HydrophobicContact CG2-CG 4.19Å; V172-I472 WeakPolarHBondContact CB-O 3.35Å; V172-I472 HydrophobicContact CG2-CB 4.34Å; V172-I472 HydrophobicContact CG2-CD1 3.96Å; V172-I472 HydrophobicContact CG2-CG1 4.21Å; V172-I472 PolarHBondContact N-O 3.01Å; V172-L473 HydrophobicContact CB-CD2 4.02Å; V172-L473 HydrophobicContact CG1-CD2 3.82Å; V172-Q474 PolarHBondContact O-N 3.23Å
173	D	96.5	Very high	95.8	Very high	68 Å²	68	54.1 Å²	54.1	36%	0.364	28%	0.277	S	S	.	.			trans	-77.8	112.5	160.3	177.8	7.7	0	0	0	109.1	K175 Y176 V177	D173-K175 PolarHBondContact O-N 2.7Å; D173-K175 VanDerWaalsContact OD1-CB 3.22Å; D173-K175 WeakPolarHBondContact OD1-CB 3.48Å; D173-K175 PolarHBondContact OD1-N 3.35Å; D173-Y176 WeakPolarHBondContact O-CB 3.46Å; D173-Y176 PolarHBondContact O-N 3.41Å; D173-V177 PolarHBondContact O-N 3.13Å
174	F	96.2	Very high	95.4	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.018	29%	0.287	C	S	.	.	H	α-helix	trans	-69.8	-19.6	-179	-156.5	-95.6	0	0	0	112.8	V172 V177 I178 H196 D236 V238 Y469 L473 L478	V172-F174 PolarHBondContact O-N 3.07Å; F174-V177 HydrophobicContact CD2-CB 4.16Å; F174-V177 HydrophobicContact CD2-CG1 4.25Å; F174-V177 HydrophobicContact CD2-CG2 4.29Å; F174-V177 HydrophobicContact CE2-CB 4.33Å; F174-V177 HydrophobicContact CE2-CG1 3.91Å; F174-V177 HydrophobicContact CG-CB 4.45Å; F174-V177 HydrophobicContact CZ-CG1 4.17Å; F174-V177 WeakPolarHBondContact O-CB 3.48Å; F174-V177 PolarHBondContact O-N 3.3Å; F174-I178 HydrophobicContact CD1-CD1 4.41Å; F174-I178 HydrophobicContact CD1-CG1 3.91Å; F174-I178 HydrophobicContact CE1-CD1 3.61Å; F174-I178 HydrophobicContact CE1-CG1 3.59Å; F174-I178 HydrophobicContact CZ-CD1 4.11Å; F174-I178 HydrophobicContact CZ-CG1 4.48Å; F174-I178 PolarHBondContact O-N 3.21Å; F174-I178 VanDerWaalsContact O-N 3.13Å; F174-H196 AromaticContact CE1-CD2 3.97Å; F174-H196 AromaticContact CE1-CE1 3.66Å; F174-H196 AromaticContact CE1-NE2 3.49Å; F174-H196 WeakPolarHBondContact CE1-NE2 3.32Å; F174-D236 HydrophobicContact CD1-CB 3.64Å; F174-D236 HydrophobicContact CD2-CB 4.29Å; F174-D236 HydrophobicContact CE1-CB 3.38Å; F174-D236 HydrophobicContact CE2-CB 4.06Å; F174-D236 WeakPolarHBondContact CE2-O 3.27Å; F174-D236 HydrophobicContact CG-CB 4.09Å; F174-D236 HydrophobicContact CZ-CB 3.6Å; F174-V238 HydrophobicContact CZ-CG2 4.05Å; F174-Y469 HydrophobicContact CE2-CE1 4.32Å; F174-L473 HydrophobicContact CD2-CD2 3.73Å; F174-L478 HydrophobicContact CD1-CB 4.44Å
175	K	95.2	Very high	94.9	Very high	103 Å²	103	57.8 Å²	57.8	45%	0.448	29%	0.29	S	S	.	.	H	α-helix	trans	-62.6	-48.5	172.4	-173.9	170.7	162.1	31.1	0	110.1	D173 V177 I178 D179 L478	D173-K175 PolarHBondContact O-N 2.7Å; D173-K175 VanDerWaalsContact OD1-CB 3.22Å; D173-K175 WeakPolarHBondContact OD1-CB 3.48Å; D173-K175 PolarHBondContact OD1-N 3.35Å; K175-V177 VanDerWaalsContact C-N 3.28Å; K175-V177 PolarHBondContact O-N 2.89Å; K175-I178 PolarHBondContact O-N 3.34Å; K175-D179 IonicContact NZ-OD1 2.71Å; K175-D179 PolarHBondContact NZ-OD1 2.74Å; K175-D179 IonicContact NZ-OD2 2.96Å; K175-D179 PolarHBondContact NZ-OD2 2.82Å; K175-D179 VanDerWaalsContact O-CG 3.29Å; K175-D179 PolarHBondContact O-N 3.18Å; K175-L478 HydrophobicContact CB-CD1 3.59Å; K175-L478 HydrophobicContact CG-CD1 4.34Å
176	Y	96	Very high	93.9	Very high	58 Å²	58	54.9 Å²	54.9	23%	0.227	27%	0.268	C	S	.	.	H	α-helix	trans	-56.4	-42.8	174.5	170	-98.1	0	0	0	111.9	D173 I178 D179 E180 K254 P255 V257	D173-Y176 WeakPolarHBondContact O-CB 3.46Å; D173-Y176 PolarHBondContact O-N 3.41Å; Y176-I178 VanDerWaalsContact C-N 3.33Å; Y176-I178 PolarHBondContact O-N 3.49Å; Y176-D179 PolarHBondContact O-N 3.41Å; Y176-E180 HydrophobicContact CD1-CG 4.5Å; Y176-E180 HydrophobicContact CD2-CG 4.15Å; Y176-E180 HydrophobicContact CE1-CG 3.93Å; Y176-E180 HydrophobicContact CE2-CG 3.54Å; Y176-E180 VanDerWaalsContact CZ-CG 3.41Å; Y176-E180 WeakPolarHBondContact O-CB 3.46Å; Y176-E180 PolarHBondContact O-N 3.33Å; Y176-K254 PolarHBondContact OH-O 3.34Å; Y176-P255 HydrophobicContact CD1-CG 4.31Å; Y176-P255 HydrophobicContact CE1-CG 3.79Å; Y176-P255 WeakPolarHBondContact CE1-O 3.21Å; Y176-P255 PolarHBondContact OH-O 2.87Å; Y176-V257 HydrophobicContact CE1-CG2 4.27Å
177	V	96	Very high	92.5	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-55.9	-48.1	176.8	170.1	0	0	0	0	111.3	V172 D173 F174 K175 V181 V238 V257 P258	V172-V177 HydrophobicContact CG1-CG2 3.56Å; D173-V177 PolarHBondContact O-N 3.13Å; F174-V177 HydrophobicContact CD2-CB 4.16Å; F174-V177 HydrophobicContact CD2-CG1 4.25Å; F174-V177 HydrophobicContact CD2-CG2 4.29Å; F174-V177 HydrophobicContact CE2-CB 4.33Å; F174-V177 HydrophobicContact CE2-CG1 3.91Å; F174-V177 HydrophobicContact CG-CB 4.45Å; F174-V177 HydrophobicContact CZ-CG1 4.17Å; F174-V177 WeakPolarHBondContact O-CB 3.48Å; F174-V177 PolarHBondContact O-N 3.3Å; K175-V177 VanDerWaalsContact C-N 3.28Å; K175-V177 PolarHBondContact O-N 2.89Å; V177-V181 HydrophobicContact CG1-CG2 4.5Å; V177-V181 WeakPolarHBondContact O-CB 3.24Å; V177-V181 WeakPolarHBondContact O-CG2 3.49Å; V177-V181 PolarHBondContact O-N 3.31Å; V177-V238 HydrophobicContact CG1-CG2 4.08Å; V177-V257 HydrophobicContact CB-CG1 4.38Å; V177-V257 HydrophobicContact CG1-CG1 3.8Å; V177-V257 HydrophobicContact CG2-CG1 4.37Å; V177-P258 HydrophobicContact CG2-CG 4.1Å
178	I	94.1	Very high	90.8	Very high	13 Å²	13	66.9 Å²	66.9	7%	0.067	31%	0.312	C	S	.	.	H	α-helix	trans	-69.3	-43.3	179.5	-63.5	-53.8	0	0	0	111.9	F174 K175 Y176 E180 V181 E182 H196 V238	F174-I178 HydrophobicContact CD1-CD1 4.41Å; F174-I178 HydrophobicContact CD1-CG1 3.91Å; F174-I178 HydrophobicContact CE1-CD1 3.61Å; F174-I178 HydrophobicContact CE1-CG1 3.59Å; F174-I178 HydrophobicContact CZ-CD1 4.11Å; F174-I178 HydrophobicContact CZ-CG1 4.48Å; F174-I178 PolarHBondContact O-N 3.21Å; F174-I178 VanDerWaalsContact O-N 3.13Å; K175-I178 PolarHBondContact O-N 3.34Å; Y176-I178 VanDerWaalsContact C-N 3.33Å; Y176-I178 PolarHBondContact O-N 3.49Å; I178-E180 VanDerWaalsContact C-N 3.31Å; I178-E180 PolarHBondContact O-N 3.36Å; I178-V181 PolarHBondContact O-N 3Å; I178-E182 HydrophobicContact CG2-CG 4.29Å; I178-E182 WeakPolarHBondContact O-CB 3.21Å; I178-E182 WeakPolarHBondContact O-CG 3.27Å; I178-E182 PolarHBondContact O-N 3.23Å; I178-H196 HydrophobicContact CD1-CB 4.18Å; I178-H196 WeakPolarHBondContact CD1-ND1 3.25Å; I178-V238 HydrophobicContact CD1-CG2 3.8Å
179	D	93.7	Very high	89.2	Confident	72 Å²	72	66 Å²	66	39%	0.385	31%	0.305	S	S	.	.	H	α-helix	trans	-61	-40.9	178.9	-66.5	-16.7	0	0	0	110.6	K175 Y176 R183	K175-D179 IonicContact NZ-OD1 2.71Å; K175-D179 PolarHBondContact NZ-OD1 2.74Å; K175-D179 IonicContact NZ-OD2 2.96Å; K175-D179 PolarHBondContact NZ-OD2 2.82Å; K175-D179 VanDerWaalsContact O-CG 3.29Å; K175-D179 PolarHBondContact O-N 3.18Å; Y176-D179 PolarHBondContact O-N 3.41Å; D179-R183 VanDerWaalsContact O-CB 3.28Å; D179-R183 WeakPolarHBondContact O-CB 3.31Å; D179-R183 PolarHBondContact O-N 3.19Å
180	E	93.8	Very high	87.6	Confident	25 Å²	25	67.2 Å²	67.2	12%	0.117	31%	0.308	C	S	.	.	H	α-helix	trans	-69.5	-40.7	173.7	-83.3	-63.7	107.6	0	0	113	Y176 I178 E182 R183 K184 V257	Y176-E180 HydrophobicContact CD1-CG 4.5Å; Y176-E180 HydrophobicContact CD2-CG 4.15Å; Y176-E180 HydrophobicContact CE1-CG 3.93Å; Y176-E180 HydrophobicContact CE2-CG 3.54Å; Y176-E180 VanDerWaalsContact CZ-CG 3.41Å; Y176-E180 WeakPolarHBondContact O-CB 3.46Å; Y176-E180 PolarHBondContact O-N 3.33Å; I178-E180 VanDerWaalsContact C-N 3.31Å; I178-E180 PolarHBondContact O-N 3.36Å; E180-E182 VanDerWaalsContact C-N 3.31Å; E180-E182 PolarHBondContact O-N 3.03Å; E180-R183 PolarHBondContact O-N 2.91Å; E180-R183 IonicContact OE1-CZ 2.94Å; E180-R183 IonicContact OE1-NE 3.9Å; E180-R183 PolarHBondContact OE1-NE 3.18Å; E180-R183 IonicContact OE1-NH2 2.83Å; E180-R183 PolarHBondContact OE1-NH2 2.85Å; E180-R183 IonicContact OE2-CZ 3.42Å; E180-R183 IonicContact OE2-NE 3.17Å; E180-R183 IonicContact OE2-NH2 2.68Å; E180-R183 PolarHBondContact OE2-NH2 3.01Å; E180-K184 WeakPolarHBondContact O-CB 3.46Å; E180-K184 PolarHBondContact O-N 3.23Å; E180-K184 WeakPolarHBondContact OE2-CE 3.49Å; E180-V257 HydrophobicContact CB-CG2 3.74Å; E180-V257 HydrophobicContact CG-CG2 4.18Å
181	V	92.5	Very high	86.2	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-60.2	-46	176.2	163.8	0	0	0	0	110.2	V177 I178 R183 W185 G186 L194 Y209 V238 V257	V177-V181 HydrophobicContact CG1-CG2 4.5Å; V177-V181 WeakPolarHBondContact O-CB 3.24Å; V177-V181 WeakPolarHBondContact O-CG2 3.49Å; V177-V181 PolarHBondContact O-N 3.31Å; I178-V181 PolarHBondContact O-N 3Å; V181-R183 VanDerWaalsContact C-N 3.34Å; V181-R183 PolarHBondContact O-N 2.78Å; V181-W185 HydrophobicContact CB-CE3 4.45Å; V181-W185 HydrophobicContact CG2-CE3 4.13Å; V181-W185 HydrophobicContact CG2-CZ3 4.18Å; V181-W185 CarbonylContact O-C 3.54Å; V181-W185 WeakPolarHBondContact O-CA 3.44Å; V181-W185 PolarHBondContact O-N 2.79Å; V181-G186 PolarHBondContact O-N 2.88Å; V181-L194 HydrophobicContact CG1-CD2 4.35Å; V181-Y209 HydrophobicContact CG1-CD2 4.11Å; V181-Y209 HydrophobicContact CG1-CE2 4.21Å; V181-Y209 HydrophobicContact CG1-CG 4.38Å; V181-V238 HydrophobicContact CG2-CG1 4.21Å; V181-V238 HydrophobicContact CG2-CG2 4.29Å; V181-V257 HydrophobicContact CG2-CG1 4.28Å
182	E	90.5	Very high	85	Confident	74 Å²	74	62.1 Å²	62.1	35%	0.346	30%	0.301	S	S	.	.	I	π-helix	trans	-62.7	-42	178.6	-74.3	-172.7	165.8	0	0	111.9	I178 E180 G186 K207 Y209	I178-E182 HydrophobicContact CG2-CG 4.29Å; I178-E182 WeakPolarHBondContact O-CB 3.21Å; I178-E182 WeakPolarHBondContact O-CG 3.27Å; I178-E182 PolarHBondContact O-N 3.23Å; E180-E182 VanDerWaalsContact C-N 3.31Å; E180-E182 PolarHBondContact O-N 3.03Å; E182-G186 VanDerWaalsContact O-CA 3.32Å; E182-G186 WeakPolarHBondContact O-CA 3.45Å; E182-G186 PolarHBondContact O-N 2.95Å; E182-G186 VanDerWaalsContact O-N 3.14Å; E182-K207 IonicContact OE1-NZ 2.75Å; E182-K207 PolarHBondContact OE1-NZ 3.02Å; E182-Y209 HydrophobicContact CG-CD1 4.32Å; E182-Y209 HydrophobicContact CG-CE1 3.64Å
183	R	90.7	Very high	84.7	Confident	146 Å²	146	62.3 Å²	62.3	55%	0.551	30%	0.303	S	S	*	.	I	π-helix	trans	-69.7	-41.8	180	-168.8	-172.4	67.3	72.7	-2.3	113.7	D179 E180 V181	D179-R183 VanDerWaalsContact O-CB 3.28Å; D179-R183 WeakPolarHBondContact O-CB 3.31Å; D179-R183 PolarHBondContact O-N 3.19Å; E180-R183 PolarHBondContact O-N 2.91Å; E180-R183 IonicContact OE1-CZ 2.94Å; E180-R183 IonicContact OE1-NE 3.9Å; E180-R183 PolarHBondContact OE1-NE 3.18Å; E180-R183 IonicContact OE1-NH2 2.83Å; E180-R183 PolarHBondContact OE1-NH2 2.85Å; E180-R183 IonicContact OE2-CZ 3.42Å; E180-R183 IonicContact OE2-NE 3.17Å; E180-R183 IonicContact OE2-NH2 2.68Å; E180-R183 PolarHBondContact OE2-NH2 3.01Å; V181-R183 VanDerWaalsContact C-N 3.34Å; V181-R183 PolarHBondContact O-N 2.78Å
184	K	89.7	Confident	84.7	Confident	65 Å²	65	59.1 Å²	59.1	28%	0.283	29%	0.286	S	S	.	.	I	π-helix	trans	-90.1	-39.8	-174.6	-74.6	-173.8	165.9	-170.7	0	113.7	E180 E247 S253	E180-K184 WeakPolarHBondContact O-CB 3.46Å; E180-K184 PolarHBondContact O-N 3.23Å; E180-K184 WeakPolarHBondContact OE2-CE 3.49Å; K184-E247 IonicContact NZ-OE2 2.76Å; K184-S253 WeakPolarHBondContact CE-OG 3.29Å; K184-S253 PolarHBondContact NZ-OG 2.8Å
185	W	88.1	Confident	84.6	Confident	36 Å²	36	58.9 Å²	58.9	14%	0.136	29%	0.285	C	S	.	.	I	π-helix	trans	-132.6	-4	-171.9	-51.2	-77.3	0	0	0	113.6	V181 W187 A192 L194 L246 E247 I259	V181-W185 HydrophobicContact CB-CE3 4.45Å; V181-W185 HydrophobicContact CG2-CE3 4.13Å; V181-W185 HydrophobicContact CG2-CZ3 4.18Å; V181-W185 CarbonylContact O-C 3.54Å; V181-W185 WeakPolarHBondContact O-CA 3.44Å; V181-W185 PolarHBondContact O-N 2.79Å; W185-W187 VanDerWaalsContact C-N 3.35Å; W185-W187 PolarHBondContact O-N 3.02Å; W185-A192 HydrophobicContact CB-CB 3.96Å; W185-A192 WeakPolarHBondContact O-CB 3.42Å; W185-L194 HydrophobicContact CB-CD1 3.45Å; W185-L194 VanDerWaalsContact CB-CD1 3.45Å; W185-L194 HydrophobicContact CG-CD1 4.15Å; W185-L246 HydrophobicContact CD2-CD1 4.3Å; W185-L246 HydrophobicContact CG-CD1 4.38Å; W185-L246 HydrophobicContact CZ2-CB 3.84Å; W185-E247 WeakPolarHBondContact CH2-OE2 3.34Å; W185-I259 HydrophobicContact CE3-CD1 4Å; W185-I259 HydrophobicContact CH2-CD1 3.73Å; W185-I259 HydrophobicContact CZ2-CD1 4.4Å; W185-I259 HydrophobicContact CZ3-CD1 3.51Å
186	G	76.6	Confident	84.7	Confident	14 Å²	14	54.1 Å²	54.1	14%	0.144	26%	0.264	C	S	.	.	I	π-helix	trans	-76.1	-24.1	-174.9	0	0	0	0	0	114.4	V181 E182 Q188	V181-G186 PolarHBondContact O-N 2.88Å; E182-G186 VanDerWaalsContact O-CA 3.32Å; E182-G186 WeakPolarHBondContact O-CA 3.45Å; E182-G186 PolarHBondContact O-N 2.95Å; E182-G186 VanDerWaalsContact O-N 3.14Å; G186-Q188 PolarHBondContact O-N 2.96Å
187	W	68	Low	84.8	Confident	199 Å²	199	51.3 Å²	51.3	75%	0.754	25%	0.253	S	S	*	.	S	Bend	trans	-64.6	129.1	177.7	-70	34.9	0	0	0	106.8	W185 T189	W185-W187 VanDerWaalsContact C-N 3.35Å; W185-W187 PolarHBondContact O-N 3.02Å; W187-T189 HydrophobicContact CB-CG2 3.9Å; W187-T189 WeakPolarHBondContact O-CB 3.48Å; W187-T189 WeakPolarHBondContact O-CG2 3.49Å; W187-T189 PolarHBondContact O-N 2.99Å; W187-T189 PolarHBondContact O-OG1 2.87Å
188	Q	61.5	Low	84.8	Confident	110 Å²	110	51.7 Å²	51.7	51%	0.514	26%	0.255	S	S	.	.			trans	-56.6	76.3	174.3	-69.6	-70.5	-20.8	0	0	108.4	G186 G210 H211	G186-Q188 PolarHBondContact O-N 2.96Å; Q188-G210 PolarHBondContact NE2-O 3.4Å; Q188-G210 PolarHBondContact OE1-O 2.79Å; Q188-H211 WeakPolarHBondContact CB-NE2 3.33Å; Q188-H211 PolarHBondContact O-CD2 3.39Å; Q188-H211 VanDerWaalsContact O-CD2 3.3Å; Q188-H211 PolarHBondContact O-NE2 3.04Å; Q188-H211 PolarHBondContact OE1-CD2 3.29Å
189	T	64.1	Low	85	Confident	67 Å²	67	51.1 Å²	51.1	41%	0.411	25%	0.252	S	S	.	.			trans	-115	147.3	-179.7	58.5	0	0	0	0	105.7	W187 G191 A192	W187-T189 HydrophobicContact CB-CG2 3.9Å; W187-T189 WeakPolarHBondContact O-CB 3.48Å; W187-T189 WeakPolarHBondContact O-CG2 3.49Å; W187-T189 PolarHBondContact O-N 2.99Å; W187-T189 PolarHBondContact O-OG1 2.87Å; T189-G191 PolarHBondContact O-N 3.39Å; T189-A192 PolarHBondContact O-N 2.72Å
190	K	64.2	Low	85	Confident	164 Å²	164	53.3 Å²	53.3	71%	0.713	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-15.4	-178.8	-68.4	-176.6	178.3	-179.8	0	113.4	Y212	K190-Y212 HydrophobicContact CB-CE2 4.16Å; K190-Y212 HydrophobicContact CG-CE2 4.27Å
191	G	67.5	Low	85.1	Confident	75 Å²	75	56.9 Å²	56.9	77%	0.773	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-17	-176.9	0	0	0	0	0	115.2	T189	T189-G191 PolarHBondContact O-N 3.39Å
192	A	73.5	Confident	85.2	Confident	3 Å²	3	57.3 Å²	57.3	3%	0.025	27%	0.274	C	S	.	.			trans	-100	136.1	-179.3	0	0	0	0	0	111.6	W185 T189 L194 G210	W185-A192 HydrophobicContact CB-CB 3.96Å; W185-A192 WeakPolarHBondContact O-CB 3.42Å; T189-A192 PolarHBondContact O-N 2.72Å; A192-L194 HydrophobicContact CB-CD1 4.09Å; A192-G210 WeakPolarHBondContact O-CA 3.34Å
193	S	91.4	Very high	85.5	Confident	13 Å²	13	58 Å²	58	9%	0.091	28%	0.275	C	S	.	.			trans	-148.6	95.9	169.8	-172	0	0	0	0	107.9	Y209 Y212 N240 L241 G242	S193-Y209 WeakPolarHBondContact CA-O 2.95Å; S193-Y212 WeakPolarHBondContact CB-O 3.02Å; S193-Y212 VanDerWaalsContact OG-C 3.3Å; S193-Y212 PolarHBondContact OG-O 3.36Å; S193-N240 PolarHBondContact O-OD1 3.08Å; S193-L241 WeakPolarHBondContact O-CA 3.41Å; S193-L241 WeakPolarHBondContact O-CB 3.31Å; S193-L241 PolarHBondContact O-N 2.79Å; S193-L241 WeakPolarHBondContact OG-CB 3.48Å; S193-G242 PolarHBondContact O-N 3.01Å
194	L	94.8	Very high	85.8	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	161.1	179.8	-59.6	95.1	0	0	0	110.6	V181 W185 A192 T208 Y209 V238 L239 L246 I259	V181-L194 HydrophobicContact CG1-CD2 4.35Å; W185-L194 HydrophobicContact CB-CD1 3.45Å; W185-L194 VanDerWaalsContact CB-CD1 3.45Å; W185-L194 HydrophobicContact CG-CD1 4.15Å; A192-L194 HydrophobicContact CB-CD1 4.09Å; L194-T208 WeakPolarHBondContact O-CA 3.47Å; L194-Y209 HydrophobicContact CB-CD2 4.33Å; L194-Y209 PolarHBondContact N-O 3.32Å; L194-Y209 PolarHBondContact O-N 3.33Å; L194-V238 HydrophobicContact CB-CG1 4.2Å; L194-V238 HydrophobicContact CD2-CG1 3.61Å; L194-L239 WeakPolarHBondContact CA-O 3.19Å; L194-L246 HydrophobicContact CD1-CD1 4.11Å; L194-L246 HydrophobicContact CD2-CD1 3.6Å; L194-L246 HydrophobicContact CG-CD1 3.96Å; L194-I259 HydrophobicContact CD2-CD1 4.14Å
195	V	95.7	Very high	86.2	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	128.2	171.1	58	0	0	0	0	109.7	Y197 K206 T208 V238 L239 L241	V195-Y197 HydrophobicContact CB-CE2 4.19Å; V195-Y197 HydrophobicContact CG1-CD2 3.74Å; V195-Y197 HydrophobicContact CG1-CE2 3.23Å; V195-Y197 HydrophobicContact CG2-CD1 4.33Å; V195-Y197 HydrophobicContact CG2-CD2 4.09Å; V195-Y197 HydrophobicContact CG2-CE1 4.09Å; V195-Y197 HydrophobicContact CG2-CE2 3.85Å; V195-Y197 HydrophobicContact CG2-CG 4.32Å; V195-K206 HydrophobicContact CG2-CB 3.66Å; V195-K206 HydrophobicContact CG2-CD 4.2Å; V195-K206 HydrophobicContact CG2-CG 4.39Å; V195-T208 HydrophobicContact CB-CG2 4.32Å; V195-T208 HydrophobicContact CG2-CG2 4.14Å; V195-V238 WeakPolarHBondContact O-CA 3.21Å; V195-L239 HydrophobicContact CG1-CB 3.87Å; V195-L239 HydrophobicContact CG1-CD2 4.29Å; V195-L239 HydrophobicContact CG1-CG 4.45Å; V195-L239 PolarHBondContact N-O 2.86Å; V195-L239 PolarHBondContact O-N 3.17Å; V195-L241 HydrophobicContact CB-CD1 4.15Å; V195-L241 HydrophobicContact CB-CG 4.47Å; V195-L241 HydrophobicContact CG1-CD1 4.09Å; V195-L241 HydrophobicContact CG1-CD2 3.73Å; V195-L241 HydrophobicContact CG1-CG 3.93Å
196	H	95.8	Very high	86.6	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.009	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	112.5	165.1	171.2	-175.2	0	0	0	107.4	F174 I178 K206 K207 Y209 D236 F237 V238 F480 F485	F174-H196 AromaticContact CE1-CD2 3.97Å; F174-H196 AromaticContact CE1-CE1 3.66Å; F174-H196 AromaticContact CE1-NE2 3.49Å; F174-H196 WeakPolarHBondContact CE1-NE2 3.32Å; I178-H196 HydrophobicContact CD1-CB 4.18Å; I178-H196 WeakPolarHBondContact CD1-ND1 3.25Å; H196-K206 CarbonylContact O-C 3.37Å; H196-K206 VanDerWaalsContact O-CA 3.28Å; H196-K206 WeakPolarHBondContact O-CA 3.43Å; H196-K207 PolarHBondContact N-O 3.35Å; H196-K207 PolarHBondContact O-N 3.48Å; H196-Y209 HydrophobicContact CB-CE2 3.75Å; H196-D236 IonicContact CE1-OD1 3.63Å; H196-D236 IonicContact NE2-OD1 3.58Å; H196-D236 PolarHBondContact NE2-OD1 3.4Å; H196-F237 WeakPolarHBondContact CA-O 3.39Å; H196-V238 HydrophobicContact CB-CG2 4.28Å; H196-F480 AromaticContact CE1-CE1 3.74Å; H196-F480 AromaticContact CE1-CZ 3.71Å; H196-F485 HydrophobicContact CB-CZ 4.42Å; H196-F485 AromaticContact CE1-CZ 3.48Å; H196-F485 VanDerWaalsContact CE1-CZ 3.48Å; H196-F485 WeakPolarHBondContact CE1-CZ 3.35Å; H196-F485 AromaticContact CG-CZ 3.73Å; H196-F485 AromaticContact ND1-CZ 3.41Å; H196-F485 WeakPolarHBondContact ND1-CZ 3.3Å; H196-F485 AromaticContact NE2-CZ 3.83Å
197	Y	97.9	Very high	87.4	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	139.4	171	-77.7	-68.2	0	0	0	111.3	V195 I204 F205 K206 S216 S219 D220 L223 D236 F237 L239 V488	V195-Y197 HydrophobicContact CB-CE2 4.19Å; V195-Y197 HydrophobicContact CG1-CD2 3.74Å; V195-Y197 HydrophobicContact CG1-CE2 3.23Å; V195-Y197 HydrophobicContact CG2-CD1 4.33Å; V195-Y197 HydrophobicContact CG2-CD2 4.09Å; V195-Y197 HydrophobicContact CG2-CE1 4.09Å; V195-Y197 HydrophobicContact CG2-CE2 3.85Å; V195-Y197 HydrophobicContact CG2-CG 4.32Å; Y197-I204 HydrophobicContact CD1-CG2 3.69Å; Y197-I204 HydrophobicContact CE1-CG2 4.04Å; Y197-F205 WeakPolarHBondContact CA-O 3.19Å; Y197-K206 HydrophobicContact CD1-CB 3.74Å; Y197-K206 HydrophobicContact CE1-CB 3.7Å; Y197-K206 HydrophobicContact CE1-CD 4.05Å; Y197-K206 HydrophobicContact CE1-CG 4.47Å; Y197-S216 PolarHBondContact OH-O 3.28Å; Y197-S219 WeakPolarHBondContact OH-CB 3.42Å; Y197-S219 PolarHBondContact OH-OG 2.93Å; Y197-D220 VanDerWaalsContact CE1-OD1 3.26Å; Y197-D220 WeakPolarHBondContact CE1-OD1 3.39Å; Y197-D220 VanDerWaalsContact CZ-OD1 3.31Å; Y197-D220 PolarHBondContact OH-N 2.84Å; Y197-D220 PolarHBondContact OH-OD1 2.04Å; Y197-L223 HydrophobicContact CD1-CD1 3.75Å; Y197-L223 HydrophobicContact CD2-CD1 3.94Å; Y197-L223 HydrophobicContact CE1-CD1 3.77Å; Y197-L223 HydrophobicContact CE2-CD1 3.93Å; Y197-L223 HydrophobicContact CG-CD1 3.85Å; Y197-D236 WeakPolarHBondContact O-CA 3.37Å; Y197-F237 VanDerWaalsContact CB-CZ 3.41Å; Y197-F237 HydrophobicContact CD2-CD2 4.41Å; Y197-F237 AromaticContact CD2-CE2 3.58Å; Y197-F237 HydrophobicContact CD2-CE2 3.58Å; Y197-F237 AromaticContact CD2-CZ 3.84Å; Y197-F237 HydrophobicContact CD2-CZ 3.84Å; Y197-F237 HydrophobicContact CG-CE2 4.04Å; Y197-F237 AromaticContact CG-CZ 3.88Å; Y197-F237 HydrophobicContact CG-CZ 3.88Å; Y197-F237 PolarHBondContact N-O 3.3Å; Y197-F237 PolarHBondContact O-N 2.96Å; Y197-L239 HydrophobicContact CD2-CB 4.37Å; Y197-L239 HydrophobicContact CE2-CB 4.41Å; Y197-L239 HydrophobicContact CE2-CD2 4.05Å; Y197-V488 HydrophobicContact CE1-CG2 4.28Å
198	R	97.1	Very high	88.6	Confident	8 Å²	8	43.3 Å²	43.3	3%	0.03	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	119.8	168	168.1	164.6	-73.1	-161.9	-18.3	108.5	R200 F205 D236 L477 L478 M482 F485	R198-R200 HydrophobicContact CG-CB 4.3Å; R198-F205 HydrophobicContact CB-CB 4.22Å; R198-F205 HydrophobicContact CG-CD2 4.3Å; R198-F205 PolarHBondContact N-O 2.79Å; R198-F205 PolarHBondContact O-N 3.01Å; R198-D236 VanDerWaalsContact CB-OD1 3.23Å; R198-D236 WeakPolarHBondContact CB-OD1 3.39Å; R198-D236 IonicContact CZ-OD1 2.77Å; R198-D236 IonicContact CZ-OD2 3.55Å; R198-D236 IonicContact NE-OD1 3.19Å; R198-D236 PolarHBondContact NE-OD1 2.87Å; R198-D236 IonicContact NE-OD2 3.57Å; R198-D236 IonicContact NH2-OD1 3.7Å; R198-D236 PolarHBondContact NH2-OD1 2.53Å; R198-D236 IonicContact NH2-OD2 3.29Å; R198-D236 PolarHBondContact NH2-OD2 3.21Å; R198-L477 HydrophobicContact CG-CD2 4.11Å; R198-L478 PolarHBondContact NH1-O 2.74Å; R198-L478 VanDerWaalsContact NH2-N 3.12Å; R198-L478 PolarHBondContact NH2-O 2.93Å; R198-M482 PolarHBondContact NH1-SD 3.35Å; R198-F485 HydrophobicContact CB-CD1 4.31Å; R198-F485 HydrophobicContact CB-CE1 3.96Å
199	I	97.5	Very high	90	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	121	166.1	-56.6	179.4	0	0	0	106.5	K203 I204 L223 L232 D234 V235 F237 L466	I199-K203 WeakPolarHBondContact CA-O 3.45Å; I199-I204 HydrophobicContact CG1-CG1 4.41Å; I199-L223 HydrophobicContact CD1-CD2 4.32Å; I199-L232 HydrophobicContact CD1-CB 4.36Å; I199-L232 HydrophobicContact CD1-CD1 3.67Å; I199-L232 HydrophobicContact CG2-CB 4.1Å; I199-D234 CarbonylContact O-C 3.51Å; I199-D234 VanDerWaalsContact O-CA 3.23Å; I199-D234 WeakPolarHBondContact O-CA 3.46Å; I199-V235 HydrophobicContact CB-CG1 4.19Å; I199-V235 HydrophobicContact CD1-CG1 4.23Å; I199-V235 HydrophobicContact CG1-CG1 4.43Å; I199-V235 PolarHBondContact N-O 2.86Å; I199-V235 PolarHBondContact O-N 3.01Å; I199-F237 HydrophobicContact CD1-CE1 4.01Å; I199-F237 HydrophobicContact CG1-CE1 4.23Å; I199-L466 HydrophobicContact CD1-CD1 4.19Å
200	R	95.2	Very high	91.2	Very high	118 Å²	118	35.4 Å²	35.4	45%	0.445	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	124.5	176.1	177.2	179.1	171	177.6	1.2	109.2	R198 N202 K203 F205 D234 L477	R198-R200 HydrophobicContact CG-CB 4.3Å; R200-N202 PolarHBondContact O-N 2.81Å; R200-K203 PolarHBondContact N-O 3.46Å; R200-K203 WeakPolarHBondContact O-CB 3.4Å; R200-K203 PolarHBondContact O-N 2.98Å; R200-F205 HydrophobicContact CB-CE2 4.4Å; R200-D234 WeakPolarHBondContact CA-OD1 3.39Å; R200-L477 HydrophobicContact CB-CD1 4.2Å; R200-L477 HydrophobicContact CG-CD1 4.01Å
201	E	94.6	Very high	92.1	Very high	101 Å²	101	32.7 Å²	32.7	47%	0.472	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	42.1	-175.2	-60.5	161.5	-156.9	0	0	110.9	K203 D234	E201-K203 PolarHBondContact O-N 2.86Å; E201-K203 IonicContact OE2-NZ 2.75Å; E201-K203 PolarHBondContact OE2-NZ 3.32Å; E201-D234 PolarHBondContact N-OD1 3.4Å
202	N	95.8	Very high	92.9	Very high	9 Å²	9	36.1 Å²	36.1	5%	0.048	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	9.4	-177.2	-156.2	45.4	0	0	0	115.7	R200 T227 V230 W231 L232	R200-N202 PolarHBondContact O-N 2.81Å; N202-T227 PolarHBondContact ND2-O 3.49Å; N202-T227 WeakPolarHBondContact OD1-CG2 3.21Å; N202-V230 PolarHBondContact OD1-O 3.21Å; N202-W231 HydrophobicContact CB-CD2 4.34Å; N202-W231 HydrophobicContact CB-CE3 3.28Å; N202-W231 HydrophobicContact CB-CH2 4.38Å; N202-W231 HydrophobicContact CB-CZ3 3.29Å; N202-L232 PolarHBondContact OD1-N 3.44Å; N202-L232 VanDerWaalsContact OD1-N 3.09Å
203	K	95.8	Very high	93.7	Very high	88 Å²	88	37.3 Å²	37.3	38%	0.383	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	139.3	170.7	-62.2	161.6	-169.3	153.8	0	108.8	I199 R200 E201 F205	I199-K203 WeakPolarHBondContact CA-O 3.45Å; R200-K203 PolarHBondContact N-O 3.46Å; R200-K203 WeakPolarHBondContact O-CB 3.4Å; R200-K203 PolarHBondContact O-N 2.98Å; E201-K203 PolarHBondContact O-N 2.86Å; E201-K203 IonicContact OE2-NZ 2.75Å; E201-K203 PolarHBondContact OE2-NZ 3.32Å; K203-F205 HydrophobicContact CB-CE2 3.72Å; K203-F205 HydrophobicContact CB-CZ 4.06Å
204	I	97.5	Very high	93.5	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.026	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	130.9	-178.1	-55	150.1	0	0	0	108.7	Y197 I199 L223 L224 T227 V488	Y197-I204 HydrophobicContact CD1-CG2 3.69Å; Y197-I204 HydrophobicContact CE1-CG2 4.04Å; I199-I204 HydrophobicContact CG1-CG1 4.41Å; I204-L223 VanDerWaalsContact CD1-C 3.47Å; I204-L223 HydrophobicContact CD1-CB 3.52Å; I204-L223 HydrophobicContact CG1-CB 4.27Å; I204-L223 HydrophobicContact CG2-CD1 4.21Å; I204-L224 HydrophobicContact CD1-CD2 3.95Å; I204-L224 HydrophobicContact CD1-CG 4.15Å; I204-T227 HydrophobicContact CD1-CG2 3.83Å; I204-T227 HydrophobicContact CG1-CG2 4.01Å; I204-V488 HydrophobicContact CB-CB 4.08Å; I204-V488 HydrophobicContact CB-CG2 4.19Å; I204-V488 HydrophobicContact CG2-CB 4.02Å; I204-V488 HydrophobicContact CG2-CG2 3.61Å; I204-V488 PolarHBondContact O-N 3.36Å
205	F	97.1	Very high	93.3	Very high	40 Å²	40	43.5 Å²	43.5	18%	0.175	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	150.5	171.5	-52.6	-97.5	0	0	0	108.5	Y197 R198 R200 K203 M482 F485 E486 K487	Y197-F205 WeakPolarHBondContact CA-O 3.19Å; R198-F205 HydrophobicContact CB-CB 4.22Å; R198-F205 HydrophobicContact CG-CD2 4.3Å; R198-F205 PolarHBondContact N-O 2.79Å; R198-F205 PolarHBondContact O-N 3.01Å; R200-F205 HydrophobicContact CB-CE2 4.4Å; K203-F205 HydrophobicContact CB-CE2 3.72Å; K203-F205 HydrophobicContact CB-CZ 4.06Å; F205-M482 HydrophobicContact CB-CE 3.86Å; F205-M482 HydrophobicContact CD1-CE 3.77Å; F205-M482 HydrophobicContact CD2-CE 4.16Å; F205-M482 HydrophobicContact CE1-CE 4.34Å; F205-M482 HydrophobicContact CG-CE 3.67Å; F205-F485 HydrophobicContact CB-CB 4.22Å; F205-F485 HydrophobicContact CB-CD1 3.71Å; F205-F485 HydrophobicContact CB-CG 4.41Å; F205-E486 CarbonylContact C-O 3.6Å; F205-E486 VanDerWaalsContact CA-O 3.23Å; F205-E486 WeakPolarHBondContact CA-O 3.45Å; F205-K487 HydrophobicContact CD1-CB 3.88Å; F205-K487 HydrophobicContact CD1-CG 4.18Å; F205-K487 HydrophobicContact CE1-CB 3.93Å; F205-K487 HydrophobicContact CE1-CD 4.36Å; F205-K487 HydrophobicContact CE1-CG 3.98Å
206	K	96.5	Very high	93.2	Very high	19 Å²	19	43.8 Å²	43.8	8%	0.083	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	150.6	179.1	72.1	178	-172.5	179.2	0	113.2	V195 H196 Y197 S216 D220 F485 E486 V488	V195-K206 HydrophobicContact CG2-CB 3.66Å; V195-K206 HydrophobicContact CG2-CD 4.2Å; V195-K206 HydrophobicContact CG2-CG 4.39Å; H196-K206 CarbonylContact O-C 3.37Å; H196-K206 VanDerWaalsContact O-CA 3.28Å; H196-K206 WeakPolarHBondContact O-CA 3.43Å; Y197-K206 HydrophobicContact CD1-CB 3.74Å; Y197-K206 HydrophobicContact CE1-CB 3.7Å; Y197-K206 HydrophobicContact CE1-CD 4.05Å; Y197-K206 HydrophobicContact CE1-CG 4.47Å; K206-S216 PolarHBondContact NZ-OG 3.4Å; K206-S216 VanDerWaalsContact NZ-OG 3.16Å; K206-D220 WeakPolarHBondContact CD-OD1 3.38Å; K206-D220 IonicContact NZ-OD1 2.67Å; K206-D220 IonicContact NZ-OD2 3.63Å; K206-D220 PolarHBondContact NZ-OD2 3.02Å; K206-F485 WeakPolarHBondContact O-CA 3.2Å; K206-E486 WeakPolarHBondContact CE-OE1 3.4Å; K206-E486 HydrophobicContact CG-CG 3.72Å; K206-E486 PolarHBondContact N-O 3.41Å; K206-E486 IonicContact NZ-OE1 3.61Å; K206-E486 PolarHBondContact O-N 3.31Å; K206-V488 HydrophobicContact CB-CG2 4.12Å; K206-V488 HydrophobicContact CD-CG2 3.77Å; K206-V488 HydrophobicContact CG-CG2 3.8Å
207	K	94.2	Very high	93	Very high	42 Å²	42	48.4 Å²	48.4	18%	0.183	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	125.6	167.3	175.7	-174.3	168.9	-156.3	0	108.1	E182 H196 Y209 H484 F485	E182-K207 IonicContact OE1-NZ 2.75Å; E182-K207 PolarHBondContact OE1-NZ 3.02Å; H196-K207 PolarHBondContact N-O 3.35Å; H196-K207 PolarHBondContact O-N 3.48Å; K207-Y209 HydrophobicContact CD-CE1 4.37Å; K207-Y209 WeakPolarHBondContact CD-OH 3.42Å; K207-Y209 WeakPolarHBondContact CE-OH 3.45Å; K207-Y209 PolarHBondContact NZ-OH 3.24Å; K207-H484 HydrophobicContact CD-CB 4.14Å; K207-F485 HydrophobicContact CB-CD1 4.29Å; K207-F485 HydrophobicContact CB-CD2 3.98Å; K207-F485 HydrophobicContact CB-CE1 4Å; K207-F485 HydrophobicContact CB-CE2 3.62Å; K207-F485 HydrophobicContact CB-CG 4.28Å; K207-F485 HydrophobicContact CB-CZ 3.64Å; K207-F485 HydrophobicContact CD-CD2 4.5Å; K207-F485 HydrophobicContact CD-CE2 3.9Å; K207-F485 HydrophobicContact CD-CZ 4.47Å; K207-F485 HydrophobicContact CG-CE2 4.38Å
208	T	93.4	Very high	92.8	Very high	45 Å²	45	50.3 Å²	50.3	28%	0.276	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	149.1	-175.4	55	0	0	0	0	112.5	L194 V195 V213	L194-T208 WeakPolarHBondContact O-CA 3.47Å; V195-T208 HydrophobicContact CB-CG2 4.32Å; V195-T208 HydrophobicContact CG2-CG2 4.14Å; T208-V213 HydrophobicContact CG2-CB 3.97Å; T208-V213 HydrophobicContact CG2-CG1 4.46Å; T208-V213 HydrophobicContact CG2-CG2 4.1Å
209	Y	91.6	Very high	92.7	Very high	9 Å²	9	50.1 Å²	50.1	4%	0.035	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	133	176.8	-56.4	-85.3	0	0	0	110.4	V181 E182 S193 L194 H196 K207 V213	V181-Y209 HydrophobicContact CG1-CD2 4.11Å; V181-Y209 HydrophobicContact CG1-CE2 4.21Å; V181-Y209 HydrophobicContact CG1-CG 4.38Å; E182-Y209 HydrophobicContact CG-CD1 4.32Å; E182-Y209 HydrophobicContact CG-CE1 3.64Å; S193-Y209 WeakPolarHBondContact CA-O 2.95Å; L194-Y209 HydrophobicContact CB-CD2 4.33Å; L194-Y209 PolarHBondContact N-O 3.32Å; L194-Y209 PolarHBondContact O-N 3.33Å; H196-Y209 HydrophobicContact CB-CE2 3.75Å; K207-Y209 HydrophobicContact CD-CE1 4.37Å; K207-Y209 WeakPolarHBondContact CD-OH 3.42Å; K207-Y209 WeakPolarHBondContact CE-OH 3.45Å; K207-Y209 PolarHBondContact NZ-OH 3.24Å; Y209-V213 VanDerWaalsContact O-CG1 3.26Å; Y209-V213 WeakPolarHBondContact O-CG1 3.25Å
210	G	87.9	Confident	92.7	Very high	3 Å²	3	51 Å²	51	3%	0.031	25%	0.246	C	C	.	.	S	Bend	trans	91.8	175.1	-178.8	0	0	0	0	0	114.8	Q188 A192 V213	Q188-G210 PolarHBondContact NE2-O 3.4Å; Q188-G210 PolarHBondContact OE1-O 2.79Å; A192-G210 WeakPolarHBondContact O-CA 3.34Å; G210-V213 VanDerWaalsContact O-CG1 3.29Å; G210-V213 WeakPolarHBondContact O-CG1 3.35Å
211	H	82.8	Confident	92.6	Very high	107 Å²	107	50 Å²	50	50%	0.495	24%	0.244	S	C	.	.	S	Bend	trans	-82.9	-35.6	-170.1	-79.1	-108.7	0	0	0	114	Q188 V213	Q188-H211 WeakPolarHBondContact CB-NE2 3.33Å; Q188-H211 PolarHBondContact O-CD2 3.39Å; Q188-H211 VanDerWaalsContact O-CD2 3.3Å; Q188-H211 PolarHBondContact O-NE2 3.04Å; Q188-H211 PolarHBondContact OE1-CD2 3.29Å; H211-V213 PolarHBondContact O-N 3.22Å
212	Y	85.3	Confident	92.6	Very high	146 Å²	146	45.3 Å²	45.3	57%	0.573	22%	0.223	S	C	*	.			trans	-105.2	57.5	-169.1	-63.7	-66.6	0	0	0	112.1	K190 S193	K190-Y212 HydrophobicContact CB-CE2 4.16Å; K190-Y212 HydrophobicContact CG-CE2 4.27Å; S193-Y212 WeakPolarHBondContact CB-O 3.02Å; S193-Y212 VanDerWaalsContact OG-C 3.3Å; S193-Y212 PolarHBondContact OG-O 3.36Å
213	V	89.6	Confident	92.7	Very high	29 Å²	29	45.5 Å²	45.5	18%	0.176	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-93	5.6	-170.3	-63	0	0	0	0	114.4	T208 Y209 G210 H211 F215 S216 L241	T208-V213 HydrophobicContact CG2-CB 3.97Å; T208-V213 HydrophobicContact CG2-CG1 4.46Å; T208-V213 HydrophobicContact CG2-CG2 4.1Å; Y209-V213 VanDerWaalsContact O-CG1 3.26Å; Y209-V213 WeakPolarHBondContact O-CG1 3.25Å; G210-V213 VanDerWaalsContact O-CG1 3.29Å; G210-V213 WeakPolarHBondContact O-CG1 3.35Å; H211-V213 PolarHBondContact O-N 3.22Å; V213-F215 PolarHBondContact O-N 2.91Å; V213-S216 WeakPolarHBondContact O-CB 3.32Å; V213-S216 PolarHBondContact O-N 2.8Å; V213-S216 PolarHBondContact O-OG 3.24Å; V213-L241 HydrophobicContact CB-CD1 4.21Å
214	G	88.6	Confident	92.7	Very high	55 Å²	55	42.3 Å²	42.3	57%	0.567	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-61.7	-23.1	179.3	0	0	0	0	0	114.2	S216 E217	G214-S216 PolarHBondContact O-N 3.38Å; G214-S216 VanDerWaalsContact O-N 3.11Å; G214-E217 WeakPolarHBondContact O-CB 3.4Å; G214-E217 PolarHBondContact O-N 3.27Å; G214-E217 VanDerWaalsContact O-N 3.14Å
215	F	89	Confident	92.5	Very high	87 Å²	87	42.1 Å²	42.1	38%	0.382	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-63.7	-13.8	173.9	-84.2	-112.7	0	0	0	113.2	V213 E217 F218 L241 Y276	V213-F215 PolarHBondContact O-N 2.91Å; F215-E217 PolarHBondContact O-N 2.94Å; F215-E217 VanDerWaalsContact O-N 3.16Å; F215-F218 HydrophobicContact CB-CD2 4.34Å; F215-F218 HydrophobicContact CB-CE2 4.5Å; F215-F218 AromaticContact CD1-CD2 3.94Å; F215-F218 HydrophobicContact CD1-CD2 3.94Å; F215-F218 AromaticContact CD1-CE2 3.64Å; F215-F218 HydrophobicContact CD1-CE2 3.64Å; F215-F218 AromaticContact CE1-CE2 3.99Å; F215-F218 HydrophobicContact CE1-CE2 3.99Å; F215-F218 HydrophobicContact CG-CD2 4.36Å; F215-F218 HydrophobicContact CG-CE2 4.09Å; F215-F218 WeakPolarHBondContact O-CD2 3.22Å; F215-F218 PolarHBondContact O-N 3.44Å; F215-L241 HydrophobicContact CB-CB 4.11Å; F215-Y276 HydrophobicContact CD1-CD1 4.23Å; F215-Y276 HydrophobicContact CD1-CE1 4.19Å; F215-Y276 HydrophobicContact CE1-CD1 4.37Å; F215-Y276 AromaticContact CE1-CE1 3.92Å; F215-Y276 HydrophobicContact CE1-CE1 3.92Å
216	S	93.9	Very high	92.6	Very high	7 Å²	7	40.2 Å²	40.2	5%	0.049	20%	0.202	C	C	.	.	H	α-helix	trans	-59.2	-21.3	171.1	59.7	0	0	0	0	113.2	Y197 K206 V213 G214 F218 S219 D220	Y197-S216 PolarHBondContact OH-O 3.28Å; K206-S216 PolarHBondContact NZ-OG 3.4Å; K206-S216 VanDerWaalsContact NZ-OG 3.16Å; V213-S216 WeakPolarHBondContact O-CB 3.32Å; V213-S216 PolarHBondContact O-N 2.8Å; V213-S216 PolarHBondContact O-OG 3.24Å; G214-S216 PolarHBondContact O-N 3.38Å; G214-S216 VanDerWaalsContact O-N 3.11Å; S216-F218 PolarHBondContact O-N 3.06Å; S216-S219 PolarHBondContact O-N 3.42Å; S216-S219 PolarHBondContact O-OG 3.45Å; S216-D220 WeakPolarHBondContact O-CB 3.4Å; S216-D220 PolarHBondContact O-N 3.15Å
217	E	92.9	Very high	92.6	Very high	99 Å²	99	39.3 Å²	39.3	46%	0.463	20%	0.198	S	C	.	.	H	α-helix	trans	-55	-35.2	174.7	-175.3	-175.7	179.2	0	0	112.4	G214 F215 K221	G214-E217 WeakPolarHBondContact O-CB 3.4Å; G214-E217 PolarHBondContact O-N 3.27Å; G214-E217 VanDerWaalsContact O-N 3.14Å; F215-E217 PolarHBondContact O-N 2.94Å; F215-E217 VanDerWaalsContact O-N 3.16Å; E217-K221 HydrophobicContact CG-CD 4.27Å; E217-K221 WeakPolarHBondContact O-CB 3.35Å; E217-K221 VanDerWaalsContact O-CG 3.28Å; E217-K221 WeakPolarHBondContact O-CG 3.4Å; E217-K221 PolarHBondContact O-N 3.04Å; E217-K221 VanDerWaalsContact O-N 3.08Å; E217-K221 WeakPolarHBondContact OE1-CE 3.19Å; E217-K221 IonicContact OE1-NZ 3.86Å; E217-K221 PolarHBondContact OE1-NZ 3.38Å
218	F	92.2	Very high	92.6	Very high	40 Å²	40	39.5 Å²	39.5	18%	0.175	20%	0.198	C	C	.	.	H	α-helix	trans	-70.8	-47.2	-179.3	-56.5	-54.7	0	0	0	111.9	F215 S216 A222 Y276 L280	F215-F218 HydrophobicContact CB-CD2 4.34Å; F215-F218 HydrophobicContact CB-CE2 4.5Å; F215-F218 AromaticContact CD1-CD2 3.94Å; F215-F218 HydrophobicContact CD1-CD2 3.94Å; F215-F218 AromaticContact CD1-CE2 3.64Å; F215-F218 HydrophobicContact CD1-CE2 3.64Å; F215-F218 AromaticContact CE1-CE2 3.99Å; F215-F218 HydrophobicContact CE1-CE2 3.99Å; F215-F218 HydrophobicContact CG-CD2 4.36Å; F215-F218 HydrophobicContact CG-CE2 4.09Å; F215-F218 WeakPolarHBondContact O-CD2 3.22Å; F215-F218 PolarHBondContact O-N 3.44Å; S216-F218 PolarHBondContact O-N 3.06Å; F218-A222 WeakPolarHBondContact O-CB 3.28Å; F218-A222 PolarHBondContact O-N 2.99Å; F218-A222 VanDerWaalsContact O-N 3.1Å; F218-Y276 HydrophobicContact CD2-CD2 4.33Å; F218-Y276 AromaticContact CD2-CG 4Å; F218-Y276 HydrophobicContact CD2-CG 4Å; F218-Y276 HydrophobicContact CE2-CD2 4.26Å; F218-Y276 HydrophobicContact CE2-CG 4.33Å; F218-Y276 HydrophobicContact CG-CG 4.49Å; F218-L280 HydrophobicContact CD1-CD1 3.9Å; F218-L280 HydrophobicContact CD1-CD2 3.61Å; F218-L280 HydrophobicContact CD1-CG 3.77Å; F218-L280 HydrophobicContact CE1-CD1 3.58Å; F218-L280 HydrophobicContact CE1-CD2 3.73Å; F218-L280 HydrophobicContact CE1-CG 3.94Å; F218-L280 HydrophobicContact CZ-CD1 4.22Å
219	S	95.7	Very high	92.7	Very high	4 Å²	4	37.7 Å²	37.7	3%	0.028	19%	0.186	C	C	.	.	H	α-helix	trans	-68.2	-35.7	175.8	43.7	0	0	0	0	112.1	Y197 S216 A222 L223	Y197-S219 WeakPolarHBondContact OH-CB 3.42Å; Y197-S219 PolarHBondContact OH-OG 2.93Å; S216-S219 PolarHBondContact O-N 3.42Å; S216-S219 PolarHBondContact O-OG 3.45Å; S219-A222 WeakPolarHBondContact O-CB 3.27Å; S219-A222 PolarHBondContact O-N 3.43Å; S219-L223 WeakPolarHBondContact O-CB 3.49Å; S219-L223 VanDerWaalsContact O-CG 3.29Å; S219-L223 WeakPolarHBondContact O-CG 3.2Å; S219-L223 PolarHBondContact O-N 3.29Å
220	D	96.4	Very high	92.9	Very high	18 Å²	18	37.3 Å²	37.3	10%	0.096	18%	0.184	C	C	.	.	H	α-helix	trans	-58.8	-52.2	174	-72.1	-10.4	0	0	0	111	Y197 K206 S216 A222 L223 L224 V488	Y197-D220 VanDerWaalsContact CE1-OD1 3.26Å; Y197-D220 WeakPolarHBondContact CE1-OD1 3.39Å; Y197-D220 VanDerWaalsContact CZ-OD1 3.31Å; Y197-D220 PolarHBondContact OH-N 2.84Å; Y197-D220 PolarHBondContact OH-OD1 2.04Å; K206-D220 WeakPolarHBondContact CD-OD1 3.38Å; K206-D220 IonicContact NZ-OD1 2.67Å; K206-D220 IonicContact NZ-OD2 3.63Å; K206-D220 PolarHBondContact NZ-OD2 3.02Å; S216-D220 WeakPolarHBondContact O-CB 3.4Å; S216-D220 PolarHBondContact O-N 3.15Å; D220-A222 VanDerWaalsContact C-N 3.29Å; D220-A222 PolarHBondContact O-N 3.45Å; D220-L223 PolarHBondContact O-N 3.44Å; D220-L224 VanDerWaalsContact O-CB 3.29Å; D220-L224 WeakPolarHBondContact O-CB 3.33Å; D220-L224 WeakPolarHBondContact O-CG 3.34Å; D220-L224 PolarHBondContact O-N 3.01Å; D220-V488 HydrophobicContact CB-CG1 3.8Å
221	K	94	Very high	93.3	Very high	96 Å²	96	43.4 Å²	43.4	42%	0.417	21%	0.207	S	C	.	.	H	α-helix	trans	-61.1	-39.3	179.3	-73.2	175	-177.4	173.1	0	111.8	E217 S225 L283	E217-K221 HydrophobicContact CG-CD 4.27Å; E217-K221 WeakPolarHBondContact O-CB 3.35Å; E217-K221 VanDerWaalsContact O-CG 3.28Å; E217-K221 WeakPolarHBondContact O-CG 3.4Å; E217-K221 PolarHBondContact O-N 3.04Å; E217-K221 VanDerWaalsContact O-N 3.08Å; E217-K221 WeakPolarHBondContact OE1-CE 3.19Å; E217-K221 IonicContact OE1-NZ 3.86Å; E217-K221 PolarHBondContact OE1-NZ 3.38Å; K221-S225 VanDerWaalsContact O-CB 3.28Å; K221-S225 WeakPolarHBondContact O-CB 3.46Å; K221-S225 PolarHBondContact O-N 3.36Å; K221-L283 HydrophobicContact CB-CD1 3.91Å
222	A	94.9	Very high	94	Very high	4 Å²	4	38.7 Å²	38.7	3%	0.033	19%	0.185	C	C	.	.	H	α-helix	trans	-60.4	-56	174.6	0	0	0	0	0	111.8	F218 S219 D220 L224 S225 I226 M279 L283	F218-A222 WeakPolarHBondContact O-CB 3.28Å; F218-A222 PolarHBondContact O-N 2.99Å; F218-A222 VanDerWaalsContact O-N 3.1Å; S219-A222 WeakPolarHBondContact O-CB 3.27Å; S219-A222 PolarHBondContact O-N 3.43Å; D220-A222 VanDerWaalsContact C-N 3.29Å; D220-A222 PolarHBondContact O-N 3.45Å; A222-L224 PolarHBondContact O-N 2.89Å; A222-S225 WeakPolarHBondContact O-CB 3.32Å; A222-S225 PolarHBondContact O-N 3.28Å; A222-S225 VanDerWaalsContact O-N 3.12Å; A222-I226 WeakPolarHBondContact O-CG1 3.49Å; A222-I226 PolarHBondContact O-N 3Å; A222-M279 HydrophobicContact CB-CE 3.47Å; A222-M279 VanDerWaalsContact CB-CE 3.47Å; A222-M279 HydrophobicContact CB-CG 4.44Å; A222-L283 HydrophobicContact CB-CD1 4.24Å
223	L	97.4	Very high	94.6	Very high	12 Å²	12	32.6 Å²	32.6	6%	0.063	16%	0.163	C	C	.	.	H	α-helix	trans	-62.9	-43.3	-178.4	-68.1	172	0	0	0	111.8	Y197 I199 I204 S219 D220 S225 I226 T227 F237 L466	Y197-L223 HydrophobicContact CD1-CD1 3.75Å; Y197-L223 HydrophobicContact CD2-CD1 3.94Å; Y197-L223 HydrophobicContact CE1-CD1 3.77Å; Y197-L223 HydrophobicContact CE2-CD1 3.93Å; Y197-L223 HydrophobicContact CG-CD1 3.85Å; I199-L223 HydrophobicContact CD1-CD2 4.32Å; I204-L223 VanDerWaalsContact CD1-C 3.47Å; I204-L223 HydrophobicContact CD1-CB 3.52Å; I204-L223 HydrophobicContact CG1-CB 4.27Å; I204-L223 HydrophobicContact CG2-CD1 4.21Å; S219-L223 WeakPolarHBondContact O-CB 3.49Å; S219-L223 VanDerWaalsContact O-CG 3.29Å; S219-L223 WeakPolarHBondContact O-CG 3.2Å; S219-L223 PolarHBondContact O-N 3.29Å; D220-L223 PolarHBondContact O-N 3.44Å; L223-S225 PolarHBondContact O-N 3.41Å; L223-I226 PolarHBondContact O-N 3.29Å; L223-T227 WeakPolarHBondContact O-CB 3.44Å; L223-T227 WeakPolarHBondContact O-CG2 3.4Å; L223-T227 PolarHBondContact O-N 3.49Å; L223-T227 PolarHBondContact O-OG1 3.1Å; L223-F237 HydrophobicContact CD1-CZ 4.05Å; L223-F237 HydrophobicContact CD2-CZ 4.24Å; L223-L466 HydrophobicContact CD2-CD1 4.03Å
224	L	95.4	Very high	94.9	Very high	22 Å²	22	33.7 Å²	33.7	12%	0.115	17%	0.168	C	C	.	.	H	α-helix	trans	-59.8	-38.4	175	-71.7	169.8	0	0	0	111.4	I204 D220 A222 T227 R228 V488 Q490	I204-L224 HydrophobicContact CD1-CD2 3.95Å; I204-L224 HydrophobicContact CD1-CG 4.15Å; D220-L224 VanDerWaalsContact O-CB 3.29Å; D220-L224 WeakPolarHBondContact O-CB 3.33Å; D220-L224 WeakPolarHBondContact O-CG 3.34Å; D220-L224 PolarHBondContact O-N 3.01Å; A222-L224 PolarHBondContact O-N 2.89Å; L224-T227 WeakPolarHBondContact CA-OG1 3.2Å; L224-T227 PolarHBondContact O-OG1 3.32Å; L224-R228 VanDerWaalsContact C-NH1 3.29Å; L224-R228 WeakPolarHBondContact O-CG 3.38Å; L224-R228 PolarHBondContact O-N 3.19Å; L224-R228 PolarHBondContact O-NH1 3.44Å; L224-V488 HydrophobicContact CD1-CG1 3.86Å; L224-V488 HydrophobicContact CD2-CG1 4.11Å; L224-V488 HydrophobicContact CG-CG1 3.99Å; L224-Q490 HydrophobicContact CD2-CB 4.35Å; L224-Q490 HydrophobicContact CD2-CG 3.42Å; L224-Q490 VanDerWaalsContact CD2-CG 3.42Å
225	S	94.9	Very high	95.4	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.007	14%	0.141	C	C	.	.	H	α-helix	trans	-70.5	-36.8	177.3	-165	0	0	0	0	112.8	K221 A222 L223 R228 K229 Y459	K221-S225 VanDerWaalsContact O-CB 3.28Å; K221-S225 WeakPolarHBondContact O-CB 3.46Å; K221-S225 PolarHBondContact O-N 3.36Å; A222-S225 WeakPolarHBondContact O-CB 3.32Å; A222-S225 PolarHBondContact O-N 3.28Å; A222-S225 VanDerWaalsContact O-N 3.12Å; L223-S225 PolarHBondContact O-N 3.41Å; S225-R228 PolarHBondContact OG-NH2 2.95Å; S225-K229 PolarHBondContact O-NZ 3.17Å; S225-K229 PolarHBondContact OG-NZ 3.37Å; S225-Y459 WeakPolarHBondContact CB-OH 3.49Å; S225-Y459 PolarHBondContact OG-OH 2.99Å
226	I	97.2	Very high	95.8	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-68.7	-48.7	176.5	-66	164.3	0	0	0	110.5	A222 L223 R228 K229 V230 L232 Y459 N462 I463	A222-I226 WeakPolarHBondContact O-CG1 3.49Å; A222-I226 PolarHBondContact O-N 3Å; L223-I226 PolarHBondContact O-N 3.29Å; I226-R228 PolarHBondContact O-N 3Å; I226-K229 WeakPolarHBondContact O-CA 3.39Å; I226-K229 WeakPolarHBondContact O-CB 3.45Å; I226-K229 PolarHBondContact O-N 3.4Å; I226-V230 HydrophobicContact CG2-CB 4.41Å; I226-V230 PolarHBondContact O-N 3.37Å; I226-L232 HydrophobicContact CB-CD1 4.47Å; I226-L232 HydrophobicContact CG2-CD1 3.75Å; I226-L232 HydrophobicContact CG2-CD2 3.94Å; I226-L232 HydrophobicContact CG2-CG 3.98Å; I226-Y459 HydrophobicContact CG1-CD1 3.8Å; I226-Y459 HydrophobicContact CG1-CE1 3.82Å; I226-N462 HydrophobicContact CD1-CB 3.67Å; I226-I463 HydrophobicContact CG2-CD1 4.09Å; I226-I463 HydrophobicContact CG2-CG1 3.69Å
227	T	96.7	Very high	96	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62	-26.6	-177.5	48.9	0	0	0	0	113.6	P140 N202 I204 L223 L224 K229 L232	P140-T227 WeakPolarHBondContact CB-O 3.4Å; N202-T227 PolarHBondContact ND2-O 3.49Å; N202-T227 WeakPolarHBondContact OD1-CG2 3.21Å; I204-T227 HydrophobicContact CD1-CG2 3.83Å; I204-T227 HydrophobicContact CG1-CG2 4.01Å; L223-T227 WeakPolarHBondContact O-CB 3.44Å; L223-T227 WeakPolarHBondContact O-CG2 3.4Å; L223-T227 PolarHBondContact O-N 3.49Å; L223-T227 PolarHBondContact O-OG1 3.1Å; L224-T227 WeakPolarHBondContact CA-OG1 3.2Å; L224-T227 PolarHBondContact O-OG1 3.32Å; T227-K229 PolarHBondContact O-N 2.97Å; T227-L232 HydrophobicContact CG2-CD1 3.8Å; T227-L232 HydrophobicContact CG2-CG 4.38Å
228	R	94.7	Very high	96.2	Very high	46 Å²	46	22.1 Å²	22.1	17%	0.174	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-19.8	170.7	-78.3	-166.5	-54.5	-82.9	8.4	114.8	D135 D138 C139 L224 S225 I226	D135-R228 PolarHBondContact O-NE 2.93Å; D135-R228 IonicContact OD2-CZ 2.87Å; D135-R228 IonicContact OD2-NH2 3.61Å; D135-R228 PolarHBondContact OD2-NH2 3.34Å; D138-R228 HydrophobicContact CB-CG 4.21Å; D138-R228 WeakPolarHBondContact OD1-CA 3.12Å; C139-R228 CarbonylContact C-O 3.57Å; C139-R228 VanDerWaalsContact C-O 3.3Å; C139-R228 PolarHBondContact N-O 2.81Å; L224-R228 VanDerWaalsContact C-NH1 3.29Å; L224-R228 WeakPolarHBondContact O-CG 3.38Å; L224-R228 PolarHBondContact O-N 3.19Å; L224-R228 PolarHBondContact O-NH1 3.44Å; S225-R228 PolarHBondContact OG-NH2 2.95Å; I226-R228 PolarHBondContact O-N 3Å
229	K	95.1	Very high	96.5	Very high	7 Å²	7	20.3 Å²	20.3	3%	0.03	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-26.7	-173.9	-59.9	166.1	-176.2	58	0	112.4	V42 D135 M141 S225 I226 T227 Y459	V42-K229 HydrophobicContact CB-CG 4.34Å; V42-K229 HydrophobicContact CG1-CG 4.45Å; V42-K229 VanDerWaalsContact O-CD 3.24Å; V42-K229 WeakPolarHBondContact O-CD 3.43Å; V42-K229 WeakPolarHBondContact O-CE 3.46Å; D135-K229 VanDerWaalsContact OD1-CE 3.3Å; D135-K229 WeakPolarHBondContact OD1-CE 3.38Å; D135-K229 IonicContact OD1-NZ 3.65Å; D135-K229 PolarHBondContact OD1-NZ 3.34Å; M141-K229 PolarHBondContact N-O 3.4Å; S225-K229 PolarHBondContact O-NZ 3.17Å; S225-K229 PolarHBondContact OG-NZ 3.37Å; I226-K229 WeakPolarHBondContact O-CA 3.39Å; I226-K229 WeakPolarHBondContact O-CB 3.45Å; I226-K229 PolarHBondContact O-N 3.4Å; T227-K229 PolarHBondContact O-N 2.97Å; K229-Y459 HydrophobicContact CD-CD1 4.07Å; K229-Y459 HydrophobicContact CD-CE1 3.61Å
230	V	96.7	Very high	96.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	133.6	-169	-177.1	0	0	0	0	110.3	M141 V143 W146 N202 I226 L232 I463	M141-V230 WeakPolarHBondContact O-CA 3.4Å; V143-V230 HydrophobicContact CB-CG1 3.69Å; V143-V230 HydrophobicContact CG2-CG1 3.71Å; W146-V230 HydrophobicContact CB-CG2 3.74Å; W146-V230 VanDerWaalsContact CD1-CG2 3.46Å; W146-V230 HydrophobicContact CD2-CG2 3.57Å; W146-V230 HydrophobicContact CE3-CG2 4.24Å; W146-V230 HydrophobicContact CG-CG2 3.29Å; N202-V230 PolarHBondContact OD1-O 3.21Å; I226-V230 HydrophobicContact CG2-CB 4.41Å; I226-V230 PolarHBondContact O-N 3.37Å; V230-L232 HydrophobicContact CG1-CD2 4.25Å; V230-L232 PolarHBondContact O-N 3.18Å; V230-I463 HydrophobicContact CG2-CD1 3.85Å
231	W	97.3	Very high	96.4	Very high	131 Å²	131	19.5 Å²	19.5	50%	0.496	9%	0.087	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	93.8	162.5	-72.4	103.2	0	0	0	109	P140 M141 N202	P140-W231 HydrophobicContact CB-CD2 4.11Å; P140-W231 HydrophobicContact CB-CG 4.04Å; P140-W231 HydrophobicContact CB-CZ2 4.4Å; P140-W231 HydrophobicContact CG-CD2 4.04Å; P140-W231 HydrophobicContact CG-CG 4.46Å; P140-W231 HydrophobicContact CG-CH2 4.19Å; P140-W231 HydrophobicContact CG-CZ2 3.47Å; P140-W231 VanDerWaalsContact CG-CZ2 3.47Å; P140-W231 PolarHBondContact O-NE1 3.17Å; M141-W231 PolarHBondContact O-N 3.25Å; N202-W231 HydrophobicContact CB-CD2 4.34Å; N202-W231 HydrophobicContact CB-CE3 3.28Å; N202-W231 HydrophobicContact CB-CH2 4.38Å; N202-W231 HydrophobicContact CB-CZ3 3.29Å
232	L	97.4	Very high	96.3	Very high	8 Å²	8	16 Å²	16	4%	0.042	8%	0.079	C	C	.	.	P	Polyproline II helix	trans	-69.4	147.9	173.2	-72.8	-179.9	0	0	0	110.2	I199 N202 I226 T227 V230 I463 L466	I199-L232 HydrophobicContact CD1-CB 4.36Å; I199-L232 HydrophobicContact CD1-CD1 3.67Å; I199-L232 HydrophobicContact CG2-CB 4.1Å; N202-L232 PolarHBondContact OD1-N 3.44Å; N202-L232 VanDerWaalsContact OD1-N 3.09Å; I226-L232 HydrophobicContact CB-CD1 4.47Å; I226-L232 HydrophobicContact CG2-CD1 3.75Å; I226-L232 HydrophobicContact CG2-CD2 3.94Å; I226-L232 HydrophobicContact CG2-CG 3.98Å; T227-L232 HydrophobicContact CG2-CD1 3.8Å; T227-L232 HydrophobicContact CG2-CG 4.38Å; V230-L232 HydrophobicContact CG1-CD2 4.25Å; V230-L232 PolarHBondContact O-N 3.18Å; L232-I463 HydrophobicContact CD2-CG1 4.35Å; L232-I463 HydrophobicContact CD2-CG2 4.49Å; L232-L466 HydrophobicContact CD1-CD1 3.81Å; L232-L466 HydrophobicContact CD2-CD1 4.25Å
233	P	96.2	Very high	96.1	Very high	18 Å²	18	17.6 Å²	17.6	12%	0.117	9%	0.087	C	C	.	.	P	Polyproline II helix	trans	-66.8	156.6	176.2	31.6	-37.5	0	0	0	111	V235 L467 K470	P233-V235 PolarHBondContact O-N 3.29Å; P233-L467 HydrophobicContact CG-CD2 3.99Å; P233-K470 HydrophobicContact CB-CD 3.63Å; P233-K470 HydrophobicContact CG-CD 4.02Å
234	D	97.4	Very high	95.9	Very high	53 Å²	53	23.6 Å²	23.6	28%	0.283	11%	0.108	S	C	.	.	P	Polyproline II helix	trans	-58.6	124.3	162.6	-74.1	9.1	0	0	0	109.5	I199 R200 E201 P476 L477	I199-D234 CarbonylContact O-C 3.51Å; I199-D234 VanDerWaalsContact O-CA 3.23Å; I199-D234 WeakPolarHBondContact O-CA 3.46Å; R200-D234 WeakPolarHBondContact CA-OD1 3.39Å; E201-D234 PolarHBondContact N-OD1 3.4Å; D234-P476 VanDerWaalsContact O-CB 3.25Å; D234-P476 WeakPolarHBondContact O-CB 3.28Å; D234-L477 HydrophobicContact CB-CD1 3.84Å; D234-L477 HydrophobicContact CB-CD2 4.34Å; D234-L477 HydrophobicContact CB-CG 4Å
235	V	98.1	Very high	95.8	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	136.3	-177.1	65.7	0	0	0	0	111.3	I199 P233 F237 Y469 K470 L473 P476	I199-V235 HydrophobicContact CB-CG1 4.19Å; I199-V235 HydrophobicContact CD1-CG1 4.23Å; I199-V235 HydrophobicContact CG1-CG1 4.43Å; I199-V235 PolarHBondContact N-O 2.86Å; I199-V235 PolarHBondContact O-N 3.01Å; P233-V235 PolarHBondContact O-N 3.29Å; V235-F237 HydrophobicContact CG1-CD1 4.13Å; V235-F237 HydrophobicContact CG1-CE1 4.33Å; V235-Y469 HydrophobicContact CG2-CD1 4.07Å; V235-K470 HydrophobicContact CG2-CB 4.24Å; V235-L473 HydrophobicContact CG2-CD1 3.86Å; V235-P476 CarbonylContact C-O 3.31Å; V235-P476 WeakPolarHBondContact CA-O 3.24Å
236	D	97.8	Very high	95.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	139.7	162.4	-74.3	-49	0	0	0	110.7	F174 H196 Y197 R198 Y469 L473 P476 L477 L478	F174-D236 HydrophobicContact CD1-CB 3.64Å; F174-D236 HydrophobicContact CD2-CB 4.29Å; F174-D236 HydrophobicContact CE1-CB 3.38Å; F174-D236 HydrophobicContact CE2-CB 4.06Å; F174-D236 WeakPolarHBondContact CE2-O 3.27Å; F174-D236 HydrophobicContact CG-CB 4.09Å; F174-D236 HydrophobicContact CZ-CB 3.6Å; H196-D236 IonicContact CE1-OD1 3.63Å; H196-D236 IonicContact NE2-OD1 3.58Å; H196-D236 PolarHBondContact NE2-OD1 3.4Å; Y197-D236 WeakPolarHBondContact O-CA 3.37Å; R198-D236 VanDerWaalsContact CB-OD1 3.23Å; R198-D236 WeakPolarHBondContact CB-OD1 3.39Å; R198-D236 IonicContact CZ-OD1 2.77Å; R198-D236 IonicContact CZ-OD2 3.55Å; R198-D236 IonicContact NE-OD1 3.19Å; R198-D236 PolarHBondContact NE-OD1 2.87Å; R198-D236 IonicContact NE-OD2 3.57Å; R198-D236 IonicContact NH2-OD1 3.7Å; R198-D236 PolarHBondContact NH2-OD1 2.53Å; R198-D236 IonicContact NH2-OD2 3.29Å; R198-D236 PolarHBondContact NH2-OD2 3.21Å; D236-Y469 VanDerWaalsContact O-CE1 3.28Å; D236-Y469 WeakPolarHBondContact O-CE1 3.48Å; D236-L473 WeakPolarHBondContact O-CD1 3.32Å; D236-P476 PolarHBondContact N-O 3.24Å; D236-L477 WeakPolarHBondContact OD2-CA 3.45Å; D236-L478 PolarHBondContact OD2-N 3.32Å
237	F	98.1	Very high	95.7	Very high	5 Å²	5	24.5 Å²	24.5	2%	0.022	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	160	172.4	61.8	-84.6	0	0	0	111.6	H196 Y197 I199 L223 V235 I260 L466 Y469	H196-F237 WeakPolarHBondContact CA-O 3.39Å; Y197-F237 VanDerWaalsContact CB-CZ 3.41Å; Y197-F237 HydrophobicContact CD2-CD2 4.41Å; Y197-F237 AromaticContact CD2-CE2 3.58Å; Y197-F237 HydrophobicContact CD2-CE2 3.58Å; Y197-F237 AromaticContact CD2-CZ 3.84Å; Y197-F237 HydrophobicContact CD2-CZ 3.84Å; Y197-F237 HydrophobicContact CG-CE2 4.04Å; Y197-F237 AromaticContact CG-CZ 3.88Å; Y197-F237 HydrophobicContact CG-CZ 3.88Å; Y197-F237 PolarHBondContact N-O 3.3Å; Y197-F237 PolarHBondContact O-N 2.96Å; I199-F237 HydrophobicContact CD1-CE1 4.01Å; I199-F237 HydrophobicContact CG1-CE1 4.23Å; L223-F237 HydrophobicContact CD1-CZ 4.05Å; L223-F237 HydrophobicContact CD2-CZ 4.24Å; V235-F237 HydrophobicContact CG1-CD1 4.13Å; V235-F237 HydrophobicContact CG1-CE1 4.33Å; F237-I260 HydrophobicContact CB-CD1 4.17Å; F237-I260 HydrophobicContact CD2-CD1 3.68Å; F237-I260 HydrophobicContact CE2-CD1 4.34Å; F237-I260 HydrophobicContact CG-CD1 4.11Å; F237-L466 HydrophobicContact CD1-CD2 3.96Å; F237-L466 HydrophobicContact CE1-CD2 3.64Å; F237-L466 HydrophobicContact CE2-CD2 4.22Å; F237-L466 HydrophobicContact CG-CD2 4.37Å; F237-L466 HydrophobicContact CZ-CD2 3.77Å; F237-Y469 HydrophobicContact CB-CD1 3.94Å; F237-Y469 HydrophobicContact CB-CE1 3.52Å; F237-Y469 HydrophobicContact CB-CE2 4.29Å
238	V	97.3	Very high	95.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	128.5	174.6	179.4	0	0	0	0	109.2	F174 V177 I178 V181 L194 V195 H196 I260	F174-V238 HydrophobicContact CZ-CG2 4.05Å; V177-V238 HydrophobicContact CG1-CG2 4.08Å; I178-V238 HydrophobicContact CD1-CG2 3.8Å; V181-V238 HydrophobicContact CG2-CG1 4.21Å; V181-V238 HydrophobicContact CG2-CG2 4.29Å; L194-V238 HydrophobicContact CB-CG1 4.2Å; L194-V238 HydrophobicContact CD2-CG1 3.61Å; V195-V238 WeakPolarHBondContact O-CA 3.21Å; H196-V238 HydrophobicContact CB-CG2 4.28Å; V238-I260 PolarHBondContact O-N 3.43Å
239	L	97.7	Very high	95.6	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	126.7	173.2	177.8	72.2	0	0	0	109.5	L194 V195 Y197 L241 I260 W262 L273	L194-L239 WeakPolarHBondContact CA-O 3.19Å; V195-L239 HydrophobicContact CG1-CB 3.87Å; V195-L239 HydrophobicContact CG1-CD2 4.29Å; V195-L239 HydrophobicContact CG1-CG 4.45Å; V195-L239 PolarHBondContact N-O 2.86Å; V195-L239 PolarHBondContact O-N 3.17Å; Y197-L239 HydrophobicContact CD2-CB 4.37Å; Y197-L239 HydrophobicContact CE2-CB 4.41Å; Y197-L239 HydrophobicContact CE2-CD2 4.05Å; L239-L241 HydrophobicContact CD2-CD2 4.05Å; L239-L241 HydrophobicContact CG-CD2 4.41Å; L239-I260 CarbonylContact C-O 3.4Å; L239-I260 WeakPolarHBondContact CA-O 3.43Å; L239-I260 HydrophobicContact CD1-CB 3.96Å; L239-I260 HydrophobicContact CD1-CG2 3.59Å; L239-W262 HydrophobicContact CD2-CH2 4.02Å; L239-W262 HydrophobicContact CD2-CZ2 3.82Å; L239-L273 HydrophobicContact CD1-CD2 4.31Å
240	N	95.7	Very high	95.4	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.016	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	119.7	166	175.9	25.4	0	0	0	109.7	S193 G242 W244 L246 I259 I260 A261 W262	S193-N240 PolarHBondContact O-OD1 3.08Å; N240-G242 PolarHBondContact OD1-N 3.07Å; N240-W244 PolarHBondContact ND2-O 3.28Å; N240-L246 HydrophobicContact CB-CD1 3.91Å; N240-L246 HydrophobicContact CB-CG 4.33Å; N240-I259 HydrophobicContact CB-CG2 3.77Å; N240-I260 PolarHBondContact N-O 3.4Å; N240-A261 HydrophobicContact CB-CB 4.06Å; N240-W262 PolarHBondContact O-NE1 3.06Å
241	L	94.7	Very high	95	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.01	20%	0.198	C	C	.	.			trans	-88.9	-14.1	177.8	-59.1	173.4	0	0	0	112.4	S193 V195 V213 F215 L239	S193-L241 WeakPolarHBondContact O-CA 3.41Å; S193-L241 WeakPolarHBondContact O-CB 3.31Å; S193-L241 PolarHBondContact O-N 2.79Å; S193-L241 WeakPolarHBondContact OG-CB 3.48Å; V195-L241 HydrophobicContact CB-CD1 4.15Å; V195-L241 HydrophobicContact CB-CG 4.47Å; V195-L241 HydrophobicContact CG1-CD1 4.09Å; V195-L241 HydrophobicContact CG1-CD2 3.73Å; V195-L241 HydrophobicContact CG1-CG 3.93Å; V213-L241 HydrophobicContact CB-CD1 4.21Å; F215-L241 HydrophobicContact CB-CB 4.11Å; L239-L241 HydrophobicContact CD2-CD2 4.05Å; L239-L241 HydrophobicContact CG-CD2 4.41Å
242	G	92.3	Very high	94.7	Very high	23 Å²	23	43.4 Å²	43.4	24%	0.237	19%	0.191	C	C	.	.	S	Bend	trans	-77.6	167.3	177	0	0	0	0	0	113.4	S193 N240	S193-G242 PolarHBondContact O-N 3.01Å; N240-G242 PolarHBondContact OD1-N 3.07Å
243	D	89.7	Confident	94.4	Very high	38 Å²	38	43.3 Å²	43.3	20%	0.203	19%	0.19	C	C	.	.	S	Bend	trans	-72.4	-43.9	178.4	-77	-12.9	0	0	0	112	R316 T377 V378	D243-R316 IonicContact OD2-NH2 2.78Å; D243-T377 HydrophobicContact CB-CG2 4.28Å; D243-V378 HydrophobicContact CB-CG1 4.23Å; D243-V378 HydrophobicContact CB-CG2 3.85Å; D243-V378 VanDerWaalsContact O-CG1 3.29Å; D243-V378 WeakPolarHBondContact O-CG1 3.47Å
244	W	92.8	Very high	94.2	Very high	137 Å²	137	51.6 Å²	51.6	52%	0.519	22%	0.224	S	C	.	.	S	Bend	trans	-76.3	132	-174.4	-60.9	99.8	0	0	0	111.8	N240 T377 V378 Y400	N240-W244 PolarHBondContact ND2-O 3.28Å; W244-T377 HydrophobicContact CD2-CG2 4.06Å; W244-T377 HydrophobicContact CH2-CG2 4.15Å; W244-T377 WeakPolarHBondContact CH2-O 3.29Å; W244-T377 HydrophobicContact CZ2-CG2 3.3Å; W244-T377 WeakPolarHBondContact CZ3-O 3.19Å; W244-V378 HydrophobicContact CD2-CG1 4.12Å; W244-V378 HydrophobicContact CE3-CG1 3.88Å; W244-V378 HydrophobicContact CG-CG1 4.49Å; W244-V378 HydrophobicContact CZ3-CG1 4.4Å; W244-Y400 HydrophobicContact CE3-CE1 4.17Å; W244-Y400 HydrophobicContact CZ3-CE1 4.23Å; W244-Y400 HydrophobicContact CZ3-CE2 4.37Å; W244-Y400 AromaticContact CZ3-CZ 3.69Å; W244-Y400 VanDerWaalsContact CZ3-OH 3.25Å; W244-Y400 WeakPolarHBondContact CZ3-OH 3.5Å
245	P	95	Very high	94.1	Very high	9 Å²	9	52.9 Å²	52.9	6%	0.058	24%	0.236	C	C	.	.			trans	-60.8	146.5	167.4	24.7	-31.6	0	0	0	110.8	D270 Y400	P245-D270 HydrophobicContact CB-CB 4.25Å; P245-D270 WeakPolarHBondContact CB-OD2 3.42Å; P245-Y400 HydrophobicContact CG-CE1 4.33Å
246	L	93.8	Very high	94.1	Very high	32 Å²	32	53.9 Å²	53.9	17%	0.168	24%	0.242	C	C	.	.			trans	-105.4	-40.4	-168.2	-62.7	-178.5	0	0	0	113.4	W185 L194 N240 L248 I259 D270	W185-L246 HydrophobicContact CD2-CD1 4.3Å; W185-L246 HydrophobicContact CG-CD1 4.38Å; W185-L246 HydrophobicContact CZ2-CB 3.84Å; L194-L246 HydrophobicContact CD1-CD1 4.11Å; L194-L246 HydrophobicContact CD2-CD1 3.6Å; L194-L246 HydrophobicContact CG-CD1 3.96Å; N240-L246 HydrophobicContact CB-CD1 3.91Å; N240-L246 HydrophobicContact CB-CG 4.33Å; L246-L248 VanDerWaalsContact C-N 3.31Å; L246-L248 PolarHBondContact O-N 3.14Å; L246-I259 HydrophobicContact CB-CD1 4.13Å; L246-I259 HydrophobicContact CD1-CD1 4.16Å; L246-D270 PolarHBondContact N-OD1 3.37Å; L246-D270 PolarHBondContact N-OD2 3.49Å; L246-D270 VanDerWaalsContact N-OD2 3.13Å
247	E	95.1	Very high	94	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	24%	0.242	C	C	.	.			trans	-88.1	74.2	-173.7	-165.3	68.9	174.1	0	0	110.6	K184 W185 Q252 S253 P256 V257 L269 D270	K184-E247 IonicContact NZ-OE2 2.76Å; W185-E247 WeakPolarHBondContact CH2-OE2 3.34Å; E247-Q252 HydrophobicContact CG-CB 4.44Å; E247-S253 WeakPolarHBondContact OE1-CB 3.43Å; E247-S253 PolarHBondContact OE1-N 2.9Å; E247-S253 PolarHBondContact OE1-OG 3.44Å; E247-S253 PolarHBondContact OE2-OG 3.34Å; E247-P256 HydrophobicContact CG-CB 4.18Å; E247-P256 VanDerWaalsContact OE1-CA 3.24Å; E247-P256 WeakPolarHBondContact OE1-CA 3.47Å; E247-V257 PolarHBondContact OE1-N 2.97Å; E247-L269 HydrophobicContact CB-CB 4.32Å; E247-L269 HydrophobicContact CG-CB 4.19Å; E247-L269 HydrophobicContact CG-CD1 4.32Å; E247-L269 WeakPolarHBondContact O-CB 3.27Å; E247-L269 PolarHBondContact O-N 3.23Å; E247-D270 PolarHBondContact N-OD2 2.99Å
248	L	94.6	Very high	94	Very high	38 Å²	38	53.6 Å²	53.6	20%	0.199	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-73.9	130	-176.5	-58.3	-177.3	0	0	0	112.1	L246 R250 R251 Q252 D267	L246-L248 VanDerWaalsContact C-N 3.31Å; L246-L248 PolarHBondContact O-N 3.14Å; L248-R250 VanDerWaalsContact C-N 3.25Å; L248-R250 HydrophobicContact CB-CG 4.24Å; L248-R250 PolarHBondContact O-N 3.29Å; L248-R250 VanDerWaalsContact O-N 3.13Å; L248-R251 CarbonylContact O-C 3.56Å; L248-R251 VanDerWaalsContact O-C 3.31Å; L248-R251 PolarHBondContact O-N 3.31Å; L248-Q252 VanDerWaalsContact O-CA 3.3Å; L248-Q252 WeakPolarHBondContact O-CA 3.39Å; L248-Q252 WeakPolarHBondContact O-CB 3.37Å; L248-Q252 PolarHBondContact O-N 2.93Å; L248-D267 CarbonylContact C-O 3.39Å; L248-D267 WeakPolarHBondContact CA-O 3.35Å
249	R	94.5	Very high	94	Very high	131 Å²	131	53.6 Å²	53.6	49%	0.494	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-50.7	-42.8	-179.1	-67.8	178.8	174.6	-81.4	-4	112.7	R251 Q252 D267 L269	R249-R251 VanDerWaalsContact C-N 3.3Å; R249-R251 PolarHBondContact O-N 2.89Å; R249-Q252 PolarHBondContact O-NE2 3.17Å; R249-D267 PolarHBondContact N-O 2.94Å; R249-L269 HydrophobicContact CG-CD2 3.83Å; R249-L269 HydrophobicContact CG-CG 3.88Å
250	R	91	Very high	94	Very high	158 Å²	158	53.6 Å²	53.6	60%	0.596	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-67.5	-20	179.4	61.6	178.7	176.9	136.2	4.7	115.6	L248 D267	L248-R250 VanDerWaalsContact C-N 3.25Å; L248-R250 HydrophobicContact CB-CG 4.24Å; L248-R250 PolarHBondContact O-N 3.29Å; L248-R250 VanDerWaalsContact O-N 3.13Å; R250-D267 WeakPolarHBondContact CD-OD2 3.3Å; R250-D267 WeakPolarHBondContact CG-OD2 3.41Å; R250-D267 PolarHBondContact N-OD1 2.67Å; R250-D267 IonicContact NE-OD2 2.84Å; R250-D267 PolarHBondContact NE-OD2 2.88Å
251	R	89.3	Confident	94.1	Very high	184 Å²	184	53.4 Å²	53.4	69%	0.694	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-139.1	25.4	-176.2	-68.8	177.8	-173.6	177	-0	112.1	L248 R249	L248-R251 CarbonylContact O-C 3.56Å; L248-R251 VanDerWaalsContact O-C 3.31Å; L248-R251 PolarHBondContact O-N 3.31Å; R249-R251 VanDerWaalsContact C-N 3.3Å; R249-R251 PolarHBondContact O-N 2.89Å
252	Q	89.9	Confident	94.2	Very high	71 Å²	71	53.4 Å²	53.4	33%	0.332	24%	0.24	S	C	.	.			trans	-62.9	154.3	-176	65.9	-174.7	-68.3	0	0	110.7	E247 L248 R249 P256 L269	E247-Q252 HydrophobicContact CG-CB 4.44Å; L248-Q252 VanDerWaalsContact O-CA 3.3Å; L248-Q252 WeakPolarHBondContact O-CA 3.39Å; L248-Q252 WeakPolarHBondContact O-CB 3.37Å; L248-Q252 PolarHBondContact O-N 2.93Å; R249-Q252 PolarHBondContact O-NE2 3.17Å; Q252-P256 HydrophobicContact CB-CB 4.41Å; Q252-L269 HydrophobicContact CB-CD1 4.21Å
253	S	92.5	Very high	94.4	Very high	5 Å²	5	52.3 Å²	52.3	4%	0.035	23%	0.229	C	C	.	.			trans	-64	160.7	167.5	-37.9	0	0	0	0	109.3	K184 E247 P255 P256 V257	K184-S253 WeakPolarHBondContact CE-OG 3.29Å; K184-S253 PolarHBondContact NZ-OG 2.8Å; E247-S253 WeakPolarHBondContact OE1-CB 3.43Å; E247-S253 PolarHBondContact OE1-N 2.9Å; E247-S253 PolarHBondContact OE1-OG 3.44Å; E247-S253 PolarHBondContact OE2-OG 3.34Å; S253-P255 CarbonylContact C-O 3.1Å; S253-P255 WeakPolarHBondContact CB-O 3.38Å; S253-P255 CarbonylContact O-C 3.17Å; S253-P256 WeakPolarHBondContact O-CA 3.38Å; S253-P256 VanDerWaalsContact O-N 3.12Å; S253-V257 WeakPolarHBondContact OG-CG2 3.28Å
254	K	91.8	Very high	94.8	Very high	192 Å²	192	50.5 Å²	50.5	84%	0.835	22%	0.219	S	C	*	.	S	Bend	trans	-126.3	102.8	176.2	-67.9	-174.1	-179.2	-177.6	0	108.6	Y176	Y176-K254 PolarHBondContact OH-O 3.34Å
255	P	94.6	Very high	95	Very high	80 Å²	80	44.3 Å²	44.3	52%	0.519	20%	0.196	S	C	.	.	S	Bend	cis	-68.5	162	-3.4	31.7	-36.4	0	0	0	112.9	Y176 S253	Y176-P255 HydrophobicContact CD1-CG 4.31Å; Y176-P255 HydrophobicContact CE1-CG 3.79Å; Y176-P255 WeakPolarHBondContact CE1-O 3.21Å; Y176-P255 PolarHBondContact OH-O 2.87Å; S253-P255 CarbonylContact C-O 3.1Å; S253-P255 WeakPolarHBondContact CB-O 3.38Å; S253-P255 CarbonylContact O-C 3.17Å
256	P	97	Very high	95	Very high	21 Å²	21	47.1 Å²	47.1	14%	0.136	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-62.8	152.5	178.5	25.8	-34.2	0	0	0	111.9	P166 W167 E247 Q252 S253 L269	P166-P256 HydrophobicContact CB-CG 4.32Å; W167-P256 HydrophobicContact CZ2-CB 3.91Å; W167-P256 HydrophobicContact CZ2-CG 4.11Å; W167-P256 PolarHBondContact NE1-O 3.4Å; E247-P256 HydrophobicContact CG-CB 4.18Å; E247-P256 VanDerWaalsContact OE1-CA 3.24Å; E247-P256 WeakPolarHBondContact OE1-CA 3.47Å; Q252-P256 HydrophobicContact CB-CB 4.41Å; S253-P256 WeakPolarHBondContact O-CA 3.38Å; S253-P256 VanDerWaalsContact O-N 3.12Å; P256-L269 HydrophobicContact CB-CD1 3.68Å; P256-L269 HydrophobicContact CG-CD1 4.22Å
257	V	97	Very high	95.1	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-92.5	124.5	179.3	-178.4	0	0	0	0	110.5	W167 Y176 V177 E180 V181 E247 S253 I259	W167-V257 VanDerWaalsContact CZ2-C 3.42Å; W167-V257 WeakPolarHBondContact CZ2-O 3.47Å; Y176-V257 HydrophobicContact CE1-CG2 4.27Å; V177-V257 HydrophobicContact CB-CG1 4.38Å; V177-V257 HydrophobicContact CG1-CG1 3.8Å; V177-V257 HydrophobicContact CG2-CG1 4.37Å; E180-V257 HydrophobicContact CB-CG2 3.74Å; E180-V257 HydrophobicContact CG-CG2 4.18Å; V181-V257 HydrophobicContact CG2-CG1 4.28Å; E247-V257 PolarHBondContact OE1-N 2.97Å; S253-V257 WeakPolarHBondContact OG-CG2 3.28Å; V257-I259 VanDerWaalsContact C-N 3.35Å; V257-I259 HydrophobicContact CB-CG1 4.3Å; V257-I259 HydrophobicContact CG1-CD1 4.21Å; V257-I259 HydrophobicContact CG1-CG1 3.71Å; V257-I259 PolarHBondContact O-N 3.28Å
258	P	97.9	Very high	95.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.226	C	C	.	.			trans	-76.4	81.1	180	31.4	-34.3	0	0	0	111.3	W167 V172 V177 I271 Y469 I472	W167-P258 HydrophobicContact CD2-CB 3.76Å; W167-P258 HydrophobicContact CE3-CB 4.05Å; W167-P258 HydrophobicContact CG-CB 4.3Å; W167-P258 HydrophobicContact CH2-CB 4.11Å; W167-P258 HydrophobicContact CZ2-CB 3.84Å; W167-P258 HydrophobicContact CZ3-CB 4.2Å; V172-P258 HydrophobicContact CG1-CG 3.94Å; V172-P258 HydrophobicContact CG2-CG 4.19Å; V177-P258 HydrophobicContact CG2-CG 4.1Å; P258-I271 HydrophobicContact CB-CD1 3.88Å; P258-Y469 HydrophobicContact CB-CE2 3.91Å; P258-Y469 HydrophobicContact CG-CE2 4.38Å; P258-Y469 WeakPolarHBondContact O-CE2 3.45Å; P258-Y469 PolarHBondContact O-OH 3.49Å; P258-I472 HydrophobicContact CB-CD1 3.73Å; P258-I472 HydrophobicContact CG-CD1 4.09Å
259	I	97.1	Very high	95.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	128.1	177.3	-61.1	-168.5	0	0	0	109.5	W185 L194 N240 L246 V257 D270 I271	W185-I259 HydrophobicContact CE3-CD1 4Å; W185-I259 HydrophobicContact CH2-CD1 3.73Å; W185-I259 HydrophobicContact CZ2-CD1 4.4Å; W185-I259 HydrophobicContact CZ3-CD1 3.51Å; L194-I259 HydrophobicContact CD2-CD1 4.14Å; N240-I259 HydrophobicContact CB-CG2 3.77Å; L246-I259 HydrophobicContact CB-CD1 4.13Å; L246-I259 HydrophobicContact CD1-CD1 4.16Å; V257-I259 VanDerWaalsContact C-N 3.35Å; V257-I259 HydrophobicContact CB-CG1 4.3Å; V257-I259 HydrophobicContact CG1-CD1 4.21Å; V257-I259 HydrophobicContact CG1-CG1 3.71Å; V257-I259 PolarHBondContact O-N 3.28Å; I259-D270 CarbonylContact O-C 3.58Å; I259-D270 VanDerWaalsContact O-CA 3.31Å; I259-D270 WeakPolarHBondContact O-CA 3.38Å; I259-I271 PolarHBondContact O-N 3.44Å
260	I	98.5	Very high	95.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	138.2	167.1	-56.5	-176	0	0	0	108.2	F237 V238 L239 N240 I271 L273 V465 L466 Y469	F237-I260 HydrophobicContact CB-CD1 4.17Å; F237-I260 HydrophobicContact CD2-CD1 3.68Å; F237-I260 HydrophobicContact CE2-CD1 4.34Å; F237-I260 HydrophobicContact CG-CD1 4.11Å; V238-I260 PolarHBondContact O-N 3.43Å; L239-I260 CarbonylContact C-O 3.4Å; L239-I260 WeakPolarHBondContact CA-O 3.43Å; L239-I260 HydrophobicContact CD1-CB 3.96Å; L239-I260 HydrophobicContact CD1-CG2 3.59Å; N240-I260 PolarHBondContact N-O 3.4Å; I260-I271 CarbonylContact C-O 3.42Å; I260-I271 VanDerWaalsContact CA-O 3.29Å; I260-I271 WeakPolarHBondContact CA-O 3.09Å; I260-I271 HydrophobicContact CG1-CB 4.38Å; I260-I271 WeakPolarHBondContact CG2-O 3.43Å; I260-L273 HydrophobicContact CG2-CB 3.72Å; I260-L273 HydrophobicContact CG2-CD2 4.18Å; I260-L273 HydrophobicContact CG2-CG 4.4Å; I260-V465 HydrophobicContact CD1-CG1 4.06Å; I260-L466 HydrophobicContact CD1-CD2 4.45Å; I260-Y469 HydrophobicContact CD1-CD2 3.9Å; I260-Y469 HydrophobicContact CD1-CE2 4.2Å; I260-Y469 HydrophobicContact CD1-CG 4.44Å; I260-Y469 HydrophobicContact CG1-CD2 3.96Å; I260-Y469 HydrophobicContact CG1-CE2 3.93Å
261	A	97.5	Very high	95.8	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	162	180	0	0	0	0	0	113	N240 C263 D270 I271 V272 L273	N240-A261 HydrophobicContact CB-CB 4.06Å; A261-C263 VanDerWaalsContact C-N 3.31Å; A261-D270 HydrophobicContact CB-CB 3.7Å; A261-I271 PolarHBondContact N-O 3.2Å; A261-V272 WeakPolarHBondContact O-CA 3.42Å; A261-L273 PolarHBondContact O-N 2.87Å
262	W	96.2	Very high	96.3	Very high	1 Å²	1	24.4 Å²	24.4	0%	0.004	14%	0.135	C	C	.	.	S	Bend	trans	-72.9	-23.7	174.6	-55.4	121.8	0	0	0	113.8	L239 N240 L273 P274 Y276 Y381	L239-W262 HydrophobicContact CD2-CH2 4.02Å; L239-W262 HydrophobicContact CD2-CZ2 3.82Å; N240-W262 PolarHBondContact O-NE1 3.06Å; W262-L273 HydrophobicContact CZ3-CD2 4.12Å; W262-P274 WeakPolarHBondContact CZ3-O 3.15Å; W262-Y276 HydrophobicContact CG-CD1 4.4Å; W262-Y381 WeakPolarHBondContact CB-OH 3.39Å
263	C	96.6	Very high	96.6	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.007	12%	0.123	C	C	.	.			trans	-144.7	138.8	-175.5	-173	0	0	0	0	109.9	A261 V378 Y381 Y401	A261-C263 VanDerWaalsContact C-N 3.31Å; C263-V378 HydrophobicContact CB-CB 4.45Å; C263-V378 HydrophobicContact CB-CG2 4.24Å; C263-Y381 HydrophobicContact CB-CE1 4.21Å; C263-Y381 WeakPolarHBondContact CB-OH 3.41Å; C263-Y401 WeakPolarHBondContact CA-O 3.35Å; C263-Y401 PolarHBondContact SG-O 2.84Å; C263-Y401 VanDerWaalsContact SG-O 3.41Å
264	G	97.2	Very high	96.8	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	175.4	167.7	0	0	0	0	0	111.6	S268 Y400 Y401	G264-S268 WeakPolarHBondContact CA-OG 3.3Å; G264-Y400 WeakPolarHBondContact O-CA 3.37Å; G264-Y401 PolarHBondContact N-O 3.18Å; G264-Y401 PolarHBondContact O-N 3.18Å
265	S	97.1	Very high	97	Very high	6 Å²	6	12.4 Å²	12.4	4%	0.042	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	169.2	168.3	80.1	0	0	0	0	112.2	D267 S268 D399 Y401	S265-D267 PolarHBondContact O-N 3.27Å; S265-D267 PolarHBondContact OG-N 3.24Å; S265-S268 PolarHBondContact N-OG 3.49Å; S265-S268 PolarHBondContact O-N 3.27Å; S265-S268 VanDerWaalsContact O-N 3.1Å; S265-S268 PolarHBondContact O-OG 3.37Å; S265-S268 PolarHBondContact OG-N 3.47Å; S265-D399 CarbonylContact C-O 3.59Å; S265-D399 WeakPolarHBondContact CA-O 3.45Å; S265-Y401 VanDerWaalsContact C-CE1 3.5Å
266	A	95.4	Very high	96.9	Very high	69 Å²	69	10.6 Å²	10.6	57%	0.57	7%	0.065	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-25.1	173.1	0	0	0	0	0	113.4	D399	A266-D399 HydrophobicContact CB-CB 4.13Å; A266-D399 PolarHBondContact N-O 3.11Å; A266-D399 VanDerWaalsContact N-O 3.13Å
267	D	96.3	Very high	96.6	Very high	52 Å²	52	11 Å²	11	28%	0.278	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	9.1	177.7	-173.8	42.2	0	0	0	112.5	L248 R249 R250 S265	L248-D267 CarbonylContact C-O 3.39Å; L248-D267 WeakPolarHBondContact CA-O 3.35Å; R249-D267 PolarHBondContact N-O 2.94Å; R250-D267 WeakPolarHBondContact CD-OD2 3.3Å; R250-D267 WeakPolarHBondContact CG-OD2 3.41Å; R250-D267 PolarHBondContact N-OD1 2.67Å; R250-D267 IonicContact NE-OD2 2.84Å; R250-D267 PolarHBondContact NE-OD2 2.88Å; S265-D267 PolarHBondContact O-N 3.27Å; S265-D267 PolarHBondContact OG-N 3.24Å
268	S	96.9	Very high	96.4	Very high	2 Å²	2	11.2 Å²	11.2	1%	0.014	7%	0.066	C	C	.	.	B	Isolated β-bridge	trans	-109.9	161.5	179.6	80	0	0	0	0	113.6	G264 S265 D270	G264-S268 WeakPolarHBondContact CA-OG 3.3Å; S265-S268 PolarHBondContact N-OG 3.49Å; S265-S268 PolarHBondContact O-N 3.27Å; S265-S268 VanDerWaalsContact O-N 3.1Å; S265-S268 PolarHBondContact O-OG 3.37Å; S265-S268 PolarHBondContact OG-N 3.47Å; S268-D270 WeakPolarHBondContact CB-OD2 3.24Å
269	L	97.5	Very high	96.1	Very high	10 Å²	10	11.2 Å²	11.2	5%	0.052	7%	0.066	C	C	.	.			trans	-113.6	-2.7	171.5	-62.2	176.6	0	0	0	112.5	P166 W167 E247 R249 Q252 P256	P166-L269 HydrophobicContact CG-CD2 4.02Å; W167-L269 HydrophobicContact CH2-CB 4.06Å; W167-L269 WeakPolarHBondContact CH2-O 3.11Å; E247-L269 HydrophobicContact CB-CB 4.32Å; E247-L269 HydrophobicContact CG-CB 4.19Å; E247-L269 HydrophobicContact CG-CD1 4.32Å; E247-L269 WeakPolarHBondContact O-CB 3.27Å; E247-L269 PolarHBondContact O-N 3.23Å; R249-L269 HydrophobicContact CG-CD2 3.83Å; R249-L269 HydrophobicContact CG-CG 3.88Å; Q252-L269 HydrophobicContact CB-CD1 4.21Å; P256-L269 HydrophobicContact CB-CD1 3.68Å; P256-L269 HydrophobicContact CG-CD1 4.22Å
270	D	97.7	Very high	95.7	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.005	7%	0.072	C	C	.	.			trans	-55.1	138.8	179.9	-57	-122.4	0	0	0	112.3	P245 L246 E247 I259 A261 S268	P245-D270 HydrophobicContact CB-CB 4.25Å; P245-D270 WeakPolarHBondContact CB-OD2 3.42Å; L246-D270 PolarHBondContact N-OD1 3.37Å; L246-D270 PolarHBondContact N-OD2 3.49Å; L246-D270 VanDerWaalsContact N-OD2 3.13Å; E247-D270 PolarHBondContact N-OD2 2.99Å; I259-D270 CarbonylContact O-C 3.58Å; I259-D270 VanDerWaalsContact O-CA 3.31Å; I259-D270 WeakPolarHBondContact O-CA 3.38Å; A261-D270 HydrophobicContact CB-CB 3.7Å; S268-D270 WeakPolarHBondContact CB-OD2 3.24Å
271	I	98.6	Very high	95.2	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.005	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	114.8	179.7	-59.3	150.4	0	0	0	108.5	D163 L164 W167 P258 I259 I260 A261 L273 V465 Y469	D163-I271 HydrophobicContact CB-CB 4.37Å; D163-I271 HydrophobicContact CB-CG1 4.26Å; D163-I271 HydrophobicContact CB-CG2 4.24Å; L164-I271 HydrophobicContact CD2-CD1 3.51Å; L164-I271 HydrophobicContact CD2-CG1 3.98Å; L164-I271 HydrophobicContact CG-CD1 4.5Å; L164-I271 HydrophobicContact CG-CG1 4.49Å; W167-I271 HydrophobicContact CE3-CD1 4.4Å; W167-I271 HydrophobicContact CZ3-CD1 4.01Å; W167-I271 HydrophobicContact CZ3-CG1 4Å; P258-I271 HydrophobicContact CB-CD1 3.88Å; I259-I271 PolarHBondContact O-N 3.44Å; I260-I271 CarbonylContact C-O 3.42Å; I260-I271 VanDerWaalsContact CA-O 3.29Å; I260-I271 WeakPolarHBondContact CA-O 3.09Å; I260-I271 HydrophobicContact CG1-CB 4.38Å; I260-I271 WeakPolarHBondContact CG2-O 3.43Å; A261-I271 PolarHBondContact N-O 3.2Å; I271-L273 PolarHBondContact O-N 2.96Å; I271-V465 HydrophobicContact CG2-CG1 4.05Å; I271-Y469 HydrophobicContact CD1-CD2 3.78Å; I271-Y469 HydrophobicContact CD1-CE2 3.78Å
272	V	98.4	Very high	94.8	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	118.6	-166.3	-173.6	0	0	0	0	111.8	D163 A261 Y401 H403 Y461	D163-V272 PolarHBondContact OD2-N 3.35Å; A261-V272 WeakPolarHBondContact O-CA 3.42Å; V272-Y401 HydrophobicContact CB-CE2 4.48Å; V272-Y401 HydrophobicContact CG2-CD2 4.21Å; V272-Y401 HydrophobicContact CG2-CE2 3.57Å; V272-H403 HydrophobicContact CG1-CB 4.12Å; V272-Y461 WeakPolarHBondContact O-CE1 3.24Å
273	L	97.4	Very high	94.5	Very high	16 Å²	16	14.4 Å²	14.4	8%	0.084	8%	0.083	C	C	.	.	P	Polyproline II helix	trans	-94.9	158	171.8	-163.3	66.6	0	0	0	110.2	L239 I260 A261 W262 I271 S275 N462 V465	L239-L273 HydrophobicContact CD1-CD2 4.31Å; I260-L273 HydrophobicContact CG2-CB 3.72Å; I260-L273 HydrophobicContact CG2-CD2 4.18Å; I260-L273 HydrophobicContact CG2-CG 4.4Å; A261-L273 PolarHBondContact O-N 2.87Å; W262-L273 HydrophobicContact CZ3-CD2 4.12Å; I271-L273 PolarHBondContact O-N 2.96Å; L273-S275 PolarHBondContact O-N 3.39Å; L273-N462 HydrophobicContact CD1-CB 4.36Å; L273-N462 WeakPolarHBondContact CD1-OD1 3.38Å; L273-V465 HydrophobicContact CD1-CB 4.12Å; L273-V465 HydrophobicContact CD1-CG1 4.14Å; L273-V465 HydrophobicContact CD1-CG2 4.18Å
274	P	97	Very high	93.7	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.097	C	C	.	.	P	Polyproline II helix	trans	-51.7	128.5	168	-30.8	37.6	0	0	0	112.5	W262 V278 M279 H403 I458 Y461 N462	W262-P274 WeakPolarHBondContact CZ3-O 3.15Å; P274-V278 HydrophobicContact CB-CB 4.46Å; P274-V278 HydrophobicContact CB-CG1 4.21Å; P274-M279 HydrophobicContact CB-CG 4.37Å; P274-M279 HydrophobicContact CB-SD 4.07Å; P274-H403 WeakPolarHBondContact CA-ND1 3.18Å; P274-I458 HydrophobicContact CB-CD1 4.47Å; P274-I458 HydrophobicContact CB-CG2 4.21Å; P274-I458 HydrophobicContact CG-CD1 4.45Å; P274-I458 HydrophobicContact CG-CG2 4.32Å; P274-Y461 HydrophobicContact CG-CD1 4Å; P274-Y461 HydrophobicContact CG-CG 4.44Å; P274-N462 WeakPolarHBondContact CG-ND2 3.39Å
275	S	95.3	Very high	92.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.117	C	C	.	.	P	Polyproline II helix	trans	-59.3	159.2	-175.9	67.1	0	0	0	0	111.9	L273 E277 V278 M279 E402	L273-S275 PolarHBondContact O-N 3.39Å; S275-E277 PolarHBondContact O-N 3.5Å; S275-E277 VanDerWaalsContact O-N 3.16Å; S275-V278 PolarHBondContact O-N 2.75Å; S275-V278 VanDerWaalsContact O-N 3.08Å; S275-V278 WeakPolarHBondContact OG-CG2 3.48Å; S275-V278 PolarHBondContact OG-N 3.07Å; S275-M279 PolarHBondContact O-N 2.97Å; S275-E402 VanDerWaalsContact CB-OE2 3.23Å; S275-E402 WeakPolarHBondContact CB-OE2 3.47Å; S275-E402 PolarHBondContact OG-OE2 3.07Å
276	Y	92	Very high	90.4	Very high	43 Å²	43	25.6 Å²	25.6	17%	0.169	14%	0.142	C	C	.	.	H	α-helix	trans	-56.8	-32.8	177.6	63.8	-104.1	0	0	0	112.4	F215 F218 W262 M279 L280 Y381	F215-Y276 HydrophobicContact CD1-CD1 4.23Å; F215-Y276 HydrophobicContact CD1-CE1 4.19Å; F215-Y276 HydrophobicContact CE1-CD1 4.37Å; F215-Y276 AromaticContact CE1-CE1 3.92Å; F215-Y276 HydrophobicContact CE1-CE1 3.92Å; F218-Y276 HydrophobicContact CD2-CD2 4.33Å; F218-Y276 AromaticContact CD2-CG 4Å; F218-Y276 HydrophobicContact CD2-CG 4Å; F218-Y276 HydrophobicContact CE2-CD2 4.26Å; F218-Y276 HydrophobicContact CE2-CG 4.33Å; F218-Y276 HydrophobicContact CG-CG 4.49Å; W262-Y276 HydrophobicContact CG-CD1 4.4Å; Y276-M279 PolarHBondContact O-N 2.77Å; Y276-L280 HydrophobicContact CD2-CD1 4.39Å; Y276-L280 VanDerWaalsContact O-CB 3.31Å; Y276-L280 WeakPolarHBondContact O-CB 3.46Å; Y276-L280 WeakPolarHBondContact O-CG 3.43Å; Y276-L280 PolarHBondContact O-N 3.4Å; Y276-Y381 HydrophobicContact CD1-CD2 4.42Å; Y276-Y381 HydrophobicContact CD1-CE2 4.09Å; Y276-Y381 AromaticContact CE1-CD2 3.78Å; Y276-Y381 HydrophobicContact CE1-CD2 3.78Å; Y276-Y381 AromaticContact CE1-CE2 3.47Å; Y276-Y381 HydrophobicContact CE1-CE2 3.47Å; Y276-Y381 VanDerWaalsContact CE1-CE2 3.47Å; Y276-Y381 HydrophobicContact CE2-CD2 4.32Å; Y276-Y381 AromaticContact CZ-CD2 3.7Å; Y276-Y381 AromaticContact CZ-CE2 3.86Å
277	E	90.9	Very high	88.3	Confident	29 Å²	29	25.8 Å²	25.8	14%	0.136	13%	0.133	C	C	.	.	H	α-helix	trans	-65.3	-46.6	177	-174.2	66.6	-156	0	0	110.9	S275 M279 L280 N281	S275-E277 PolarHBondContact O-N 3.5Å; S275-E277 VanDerWaalsContact O-N 3.16Å; E277-M279 VanDerWaalsContact C-N 3.33Å; E277-M279 PolarHBondContact O-N 2.82Å; E277-L280 PolarHBondContact O-N 3.18Å; E277-N281 WeakPolarHBondContact O-CB 3.09Å; E277-N281 PolarHBondContact O-N 3.37Å; E277-N281 PolarHBondContact O-ND2 3.27Å; E277-N281 PolarHBondContact O-OD1 2.81Å
278	V	92.6	Very high	86	Confident	4 Å²	4	28 Å²	28	2%	0.024	15%	0.153	C	C	.	.	H	α-helix	trans	-63.5	-41	176.5	175.6	0	0	0	0	111.1	P274 S275 N281 T282 T384 V453 I458	P274-V278 HydrophobicContact CB-CB 4.46Å; P274-V278 HydrophobicContact CB-CG1 4.21Å; S275-V278 PolarHBondContact O-N 2.75Å; S275-V278 VanDerWaalsContact O-N 3.08Å; S275-V278 WeakPolarHBondContact OG-CG2 3.48Å; S275-V278 PolarHBondContact OG-N 3.07Å; V278-N281 PolarHBondContact O-N 3.47Å; V278-T282 WeakPolarHBondContact O-CB 3.49Å; V278-T282 PolarHBondContact O-N 3.31Å; V278-T282 VanDerWaalsContact O-N 3.08Å; V278-T282 PolarHBondContact O-OG1 3.21Å; V278-T384 HydrophobicContact CG2-CG2 3.88Å; V278-V453 HydrophobicContact CG1-CG1 4.37Å; V278-I458 HydrophobicContact CG1-CD1 3.39Å; V278-I458 HydrophobicContact CG1-CG1 3.8Å; V278-I458 HydrophobicContact CG1-CG2 4.37Å
279	M	91.7	Very high	83.8	Confident	1 Å²	1	30.7 Å²	30.7	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-65.9	-40.9	175.8	-71.1	-48.9	-61.9	0	0	112.4	A222 P274 S275 Y276 E277 N281 T282 L283 I458 N462	A222-M279 HydrophobicContact CB-CE 3.47Å; A222-M279 VanDerWaalsContact CB-CE 3.47Å; A222-M279 HydrophobicContact CB-CG 4.44Å; P274-M279 HydrophobicContact CB-CG 4.37Å; P274-M279 HydrophobicContact CB-SD 4.07Å; S275-M279 PolarHBondContact O-N 2.97Å; Y276-M279 PolarHBondContact O-N 2.77Å; E277-M279 VanDerWaalsContact C-N 3.33Å; E277-M279 PolarHBondContact O-N 2.82Å; M279-N281 PolarHBondContact O-N 3.31Å; M279-T282 WeakPolarHBondContact O-CB 3.06Å; M279-T282 PolarHBondContact O-N 3.27Å; M279-L283 HydrophobicContact CE-CD1 4.36Å; M279-L283 HydrophobicContact CE-CG 4.41Å; M279-L283 WeakPolarHBondContact O-CB 3.44Å; M279-L283 WeakPolarHBondContact O-CG 3.38Å; M279-L283 PolarHBondContact O-N 2.99Å; M279-I458 HydrophobicContact CE-CG2 4.2Å; M279-I458 HydrophobicContact SD-CG2 3.27Å; M279-I458 WeakPolarHBondContact SD-CG2 3.48Å; M279-N462 PolarHBondContact SD-ND2 3.13Å
280	L	88.7	Confident	81.9	Confident	23 Å²	23	33.6 Å²	33.6	12%	0.12	18%	0.179	C	C	.	.	H	α-helix	trans	-60.2	-45.7	174.6	-79.6	174.7	0	0	0	111.8	F218 Y276 E277 T282 L283 K284	F218-L280 HydrophobicContact CD1-CD1 3.9Å; F218-L280 HydrophobicContact CD1-CD2 3.61Å; F218-L280 HydrophobicContact CD1-CG 3.77Å; F218-L280 HydrophobicContact CE1-CD1 3.58Å; F218-L280 HydrophobicContact CE1-CD2 3.73Å; F218-L280 HydrophobicContact CE1-CG 3.94Å; F218-L280 HydrophobicContact CZ-CD1 4.22Å; Y276-L280 HydrophobicContact CD2-CD1 4.39Å; Y276-L280 VanDerWaalsContact O-CB 3.31Å; Y276-L280 WeakPolarHBondContact O-CB 3.46Å; Y276-L280 WeakPolarHBondContact O-CG 3.43Å; Y276-L280 PolarHBondContact O-N 3.4Å; E277-L280 PolarHBondContact O-N 3.18Å; L280-T282 PolarHBondContact O-N 2.96Å; L280-L283 PolarHBondContact O-N 3.43Å; L280-K284 WeakPolarHBondContact O-CB 3.45Å; L280-K284 VanDerWaalsContact O-CG 3.32Å; L280-K284 WeakPolarHBondContact O-CG 3.2Å; L280-K284 PolarHBondContact O-N 3.42Å
281	N	87.3	Confident	80.4	Confident	8 Å²	8	35.9 Å²	35.9	4%	0.043	19%	0.189	C	C	.	.	H	α-helix	trans	-64.4	-26.7	179.1	-61.8	-12.4	0	0	0	111.6	E277 V278 M279 Y289 Q291	E277-N281 WeakPolarHBondContact O-CB 3.09Å; E277-N281 PolarHBondContact O-N 3.37Å; E277-N281 PolarHBondContact O-ND2 3.27Å; E277-N281 PolarHBondContact O-OD1 2.81Å; V278-N281 PolarHBondContact O-N 3.47Å; M279-N281 PolarHBondContact O-N 3.31Å; N281-Y289 WeakPolarHBondContact OD1-CE1 3.47Å; N281-Q291 PolarHBondContact OD1-O 2.84Å
282	T	90.7	Very high	79.5	Confident	7 Å²	7	36.5 Å²	36.5	4%	0.043	19%	0.193	C	C	.	.	H	α-helix	trans	-81.9	-38.8	177.5	-62.8	0	0	0	0	113	V278 M279 L280 P455 I458 Y459	V278-T282 WeakPolarHBondContact O-CB 3.49Å; V278-T282 PolarHBondContact O-N 3.31Å; V278-T282 VanDerWaalsContact O-N 3.08Å; V278-T282 PolarHBondContact O-OG1 3.21Å; M279-T282 WeakPolarHBondContact O-CB 3.06Å; M279-T282 PolarHBondContact O-N 3.27Å; L280-T282 PolarHBondContact O-N 2.96Å; T282-P455 HydrophobicContact CG2-CB 3.93Å; T282-P455 HydrophobicContact CG2-CG 4.44Å; T282-I458 HydrophobicContact CG2-CB 4.38Å; T282-I458 HydrophobicContact CG2-CG2 4.21Å; T282-Y459 HydrophobicContact CG2-CD2 4.05Å; T282-Y459 HydrophobicContact CG2-CE2 3.61Å
283	L	89.7	Confident	78.7	Confident	29 Å²	29	37.5 Å²	37.5	15%	0.152	20%	0.198	C	C	.	.	H	α-helix	trans	-90	-27.3	-172	-67.3	171.5	0	0	0	113.7	P44 K221 A222 M279 L280 T285 Y459	P44-L283 HydrophobicContact CG-CD2 4.11Å; K221-L283 HydrophobicContact CB-CD1 3.91Å; A222-L283 HydrophobicContact CB-CD1 4.24Å; M279-L283 HydrophobicContact CE-CD1 4.36Å; M279-L283 HydrophobicContact CE-CG 4.41Å; M279-L283 WeakPolarHBondContact O-CB 3.44Å; M279-L283 WeakPolarHBondContact O-CG 3.38Å; M279-L283 PolarHBondContact O-N 2.99Å; L280-L283 PolarHBondContact O-N 3.43Å; L283-T285 PolarHBondContact O-N 3.46Å; L283-Y459 WeakPolarHBondContact CD2-OH 3.34Å
284	K	79.4	Confident	78.1	Confident	70 Å²	70	36.8 Å²	36.8	30%	0.304	19%	0.194	S	C	.	.			trans	-66.4	127.2	-175.6	-82	179	173.5	173.9	0	110.9	R97 L280 Y289	R97-K284 PolarHBondContact NH2-O 3.37Å; L280-K284 WeakPolarHBondContact O-CB 3.45Å; L280-K284 VanDerWaalsContact O-CG 3.32Å; L280-K284 WeakPolarHBondContact O-CG 3.2Å; L280-K284 PolarHBondContact O-N 3.42Å; K284-Y289 HydrophobicContact CD-CD1 3.46Å; K284-Y289 VanDerWaalsContact CD-CD1 3.46Å; K284-Y289 HydrophobicContact CD-CD2 4.31Å; K284-Y289 HydrophobicContact CD-CE1 3.75Å; K284-Y289 HydrophobicContact CD-CG 3.76Å; K284-Y289 VanDerWaalsContact NZ-CD2 3.29Å; K284-Y289 PolarHBondContact NZ-OH 3.49Å
285	T	65.5	Low	77.6	Confident	66 Å²	66	38.1 Å²	38.1	41%	0.405	20%	0.2	S	C	.	.			trans	-100.4	-25.7	175.6	51.9	0	0	0	0	112.5	P44 R97 V99 L283	P44-T285 HydrophobicContact CB-CG2 4.22Å; R97-T285 PolarHBondContact NH1-O 3.37Å; R97-T285 VanDerWaalsContact NH2-CA 3.31Å; R97-T285 PolarHBondContact NH2-O 3.08Å; V99-T285 HydrophobicContact CG1-CG2 3.93Å; L283-T285 PolarHBondContact O-N 3.46Å
286	D	59.8	Low	77.1	Confident	106 Å²	106	38.1 Å²	38.1	57%	0.567	20%	0.2	S	C	*	.			trans	-74.1	146.1	-176.7	-173.2	27.5	0	0	0	114.4	S288	D286-S288 PolarHBondContact OD2-OG 3Å
287	L	50.6	Low	76.6	Confident	74 Å²	74	36.1 Å²	36.1	39%	0.387	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-25.5	-169	-83.8	167	0	0	0	115.6	F85 Y289 K295	F85-L287 HydrophobicContact CD1-CD2 3.64Å; F85-L287 HydrophobicContact CD2-CD2 4.29Å; F85-L287 HydrophobicContact CE1-CD1 3.73Å; F85-L287 HydrophobicContact CE1-CD2 3.07Å; F85-L287 HydrophobicContact CE1-CG 3.83Å; F85-L287 HydrophobicContact CE2-CD2 3.79Å; F85-L287 HydrophobicContact CE2-CG 4.32Å; F85-L287 HydrophobicContact CG-CD2 4.23Å; F85-L287 HydrophobicContact CZ-CD1 3.61Å; F85-L287 HydrophobicContact CZ-CD2 3.16Å; F85-L287 HydrophobicContact CZ-CG 3.55Å; L287-Y289 PolarHBondContact O-N 2.92Å; L287-Y289 VanDerWaalsContact O-N 3.14Å; L287-K295 PolarHBondContact O-NZ 3.3Å
288	S	48.5	Very low	76.3	Confident	99 Å²	99	37.2 Å²	37.2	69%	0.692	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-14.8	-174	60.3	0	0	0	0	113.3	D286	D286-S288 PolarHBondContact OD2-OG 3Å
289	Y	51.2	Low	75.8	Confident	58 Å²	58	38.1 Å²	38.1	23%	0.227	20%	0.202	C	C	.	.			trans	-92.7	127.4	-176.1	-153.7	-120.2	0	0	0	111.4	N281 K284 L287 Q291 K295	N281-Y289 WeakPolarHBondContact OD1-CE1 3.47Å; K284-Y289 HydrophobicContact CD-CD1 3.46Å; K284-Y289 VanDerWaalsContact CD-CD1 3.46Å; K284-Y289 HydrophobicContact CD-CD2 4.31Å; K284-Y289 HydrophobicContact CD-CE1 3.75Å; K284-Y289 HydrophobicContact CD-CG 3.76Å; K284-Y289 VanDerWaalsContact NZ-CD2 3.29Å; K284-Y289 PolarHBondContact NZ-OH 3.49Å; L287-Y289 PolarHBondContact O-N 2.92Å; L287-Y289 VanDerWaalsContact O-N 3.14Å; Y289-Q291 VanDerWaalsContact C-N 3.33Å; Y289-Q291 HydrophobicContact CD1-CB 3.77Å; Y289-Q291 WeakPolarHBondContact CD1-O 3.36Å; Y289-Q291 HydrophobicContact CE1-CB 3.37Å; Y289-Q291 HydrophobicContact CE1-CG 4.43Å; Y289-Q291 WeakPolarHBondContact CE1-O 3.31Å; Y289-Q291 PolarHBondContact OH-OE1 3.06Å; Y289-K295 PolarHBondContact O-NZ 2.95Å
290	N	56.4	Low	75.6	Confident	71 Å²	71	39.1 Å²	39.1	38%	0.38	21%	0.205	S	C	.	.	S	Bend	trans	-92.8	12.1	-179.4	-72.2	-23.4	0	0	0	113.4	K295	N290-K295 WeakPolarHBondContact OD1-CE 3.31Å; N290-K295 PolarHBondContact OD1-NZ 2.88Å
291	Q	67.3	Low	75.4	Confident	48 Å²	48	44.6 Å²	44.6	22%	0.224	23%	0.23	C	C	.	.			trans	-124.5	69.7	-172.4	-70.9	173.4	-29.3	0	0	109.6	N281 Y289 L385	N281-Q291 PolarHBondContact OD1-O 2.84Å; Y289-Q291 VanDerWaalsContact C-N 3.33Å; Y289-Q291 HydrophobicContact CD1-CB 3.77Å; Y289-Q291 WeakPolarHBondContact CD1-O 3.36Å; Y289-Q291 HydrophobicContact CE1-CB 3.37Å; Y289-Q291 HydrophobicContact CE1-CG 4.43Å; Y289-Q291 WeakPolarHBondContact CE1-O 3.31Å; Y289-Q291 PolarHBondContact OH-OE1 3.06Å; Q291-L385 HydrophobicContact CB-CD1 3.95Å; Q291-L385 HydrophobicContact CB-CD2 4.17Å; Q291-L385 HydrophobicContact CG-CD1 3.68Å
292	D	78.4	Confident	75.6	Confident	15 Å²	15	46.8 Å²	46.8	8%	0.08	24%	0.244	C	C	.	.			trans	-126.9	136.3	164.7	168.9	-3.2	0	0	0	105.8	R97 L294 K295 V296	R97-D292 VanDerWaalsContact CD-OD2 3.31Å; R97-D292 WeakPolarHBondContact CD-OD2 3.35Å; R97-D292 IonicContact CZ-OD2 3.81Å; R97-D292 IonicContact NE-OD2 2.99Å; R97-D292 PolarHBondContact NE-OD2 3.47Å; D292-L294 PolarHBondContact O-N 2.97Å; D292-L294 VanDerWaalsContact O-N 3.16Å; D292-L294 PolarHBondContact OD1-N 2.95Å; D292-K295 HydrophobicContact CB-CB 4.22Å; D292-K295 PolarHBondContact O-N 2.78Å; D292-V296 VanDerWaalsContact O-CG2 3.27Å; D292-V296 WeakPolarHBondContact O-CG2 3.01Å; D292-V296 PolarHBondContact O-N 3.48Å
293	L	83.1	Confident	75.6	Confident	21 Å²	21	48.4 Å²	48.4	11%	0.11	26%	0.256	C	S	.	.	H	α-helix	trans	-53.9	-34.2	179.3	-69.1	177.8	0	0	0	113	A388 L449 V453 M454	L293-A388 HydrophobicContact CD2-CB 3.88Å; L293-L449 HydrophobicContact CD2-CD1 4.39Å; L293-V453 HydrophobicContact CD1-CB 4.2Å; L293-V453 HydrophobicContact CD1-CG1 4Å; L293-V453 WeakPolarHBondContact CD1-O 3.4Å; L293-M454 HydrophobicContact CB-SD 4.23Å; L293-M454 HydrophobicContact CD1-SD 4.41Å
294	L	84.3	Confident	75.8	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	26%	0.255	C	S	.	.	H	α-helix	trans	-67.2	-44.8	175.9	-66.6	167.2	0	0	0	111.5	Y47 F49 Y87 N95 R97 D292 S297 M454	Y47-L294 HydrophobicContact CD2-CD2 4.2Å; Y47-L294 HydrophobicContact CG-CD1 4.11Å; Y47-L294 HydrophobicContact CG-CD2 4.23Å; F49-L294 HydrophobicContact CE1-CD2 4.37Å; Y87-L294 HydrophobicContact CD2-CB 4.18Å; Y87-L294 WeakPolarHBondContact CD2-O 3.44Å; Y87-L294 HydrophobicContact CE2-CB 4.25Å; N95-L294 HydrophobicContact CB-CD2 4.01Å; N95-L294 PolarHBondContact ND2-O 2.74Å; R97-L294 HydrophobicContact CB-CD1 4.03Å; R97-L294 HydrophobicContact CG-CD1 3.94Å; D292-L294 PolarHBondContact O-N 2.97Å; D292-L294 VanDerWaalsContact O-N 3.16Å; D292-L294 PolarHBondContact OD1-N 2.95Å; L294-S297 PolarHBondContact O-OG 3.08Å; L294-M454 HydrophobicContact CD1-CE 4.42Å; L294-M454 HydrophobicContact CD2-CE 3.31Å; L294-M454 HydrophobicContact CG-CE 3.72Å
295	K	86.7	Confident	76.5	Confident	28 Å²	28	52.9 Å²	52.9	12%	0.122	27%	0.273	C	S	.	.	H	α-helix	trans	-79.4	-31.8	-175.4	-174.3	176.7	172.2	-170.6	0	113	Y87 L287 Y289 N290 D292 S297 E298	Y87-K295 HydrophobicContact CD2-CB 4.27Å; Y87-K295 HydrophobicContact CE1-CB 4.43Å; Y87-K295 HydrophobicContact CE1-CG 4.06Å; Y87-K295 HydrophobicContact CE2-CB 3.77Å; Y87-K295 HydrophobicContact CE2-CG 4.3Å; L287-K295 PolarHBondContact O-NZ 3.3Å; Y289-K295 PolarHBondContact O-NZ 2.95Å; N290-K295 WeakPolarHBondContact OD1-CE 3.31Å; N290-K295 PolarHBondContact OD1-NZ 2.88Å; D292-K295 HydrophobicContact CB-CB 4.22Å; D292-K295 PolarHBondContact O-N 2.78Å; K295-S297 PolarHBondContact O-N 2.62Å; K295-E298 WeakPolarHBondContact O-CB 3.25Å; K295-E298 PolarHBondContact O-N 2.81Å
296	V	84.7	Confident	77.9	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-57.8	-25.2	179.2	167.1	0	0	0	0	111.9	D292 E298 L299 F366 L385 A388	D292-V296 VanDerWaalsContact O-CG2 3.27Å; D292-V296 WeakPolarHBondContact O-CG2 3.01Å; D292-V296 PolarHBondContact O-N 3.48Å; V296-E298 PolarHBondContact O-N 3.01Å; V296-L299 HydrophobicContact CG1-CD1 4.41Å; V296-L299 HydrophobicContact CG2-CD1 4.39Å; V296-L299 VanDerWaalsContact O-CB 3.29Å; V296-L299 WeakPolarHBondContact O-CB 3.34Å; V296-L299 WeakPolarHBondContact O-CG 3.04Å; V296-L299 PolarHBondContact O-N 2.79Å; V296-F366 HydrophobicContact CG1-CE2 4.3Å; V296-F366 HydrophobicContact CG1-CZ 4.31Å; V296-L385 HydrophobicContact CG2-CD2 3.74Å; V296-A388 HydrophobicContact CB-CB 4.19Å; V296-A388 HydrophobicContact CG1-CB 3.66Å
297	S	81.4	Confident	79.7	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-58.8	-30.1	172.2	70.9	0	0	0	0	113.7	D88 N95 L294 K295 L299 R300	D88-S297 CarbonylContact O-C 3.57Å; N95-S297 VanDerWaalsContact ND2-CB 3.27Å; N95-S297 WeakPolarHBondContact ND2-CB 3.43Å; N95-S297 PolarHBondContact ND2-OG 3.18Å; L294-S297 PolarHBondContact O-OG 3.08Å; K295-S297 PolarHBondContact O-N 2.62Å; S297-L299 PolarHBondContact O-N 2.83Å; S297-R300 VanDerWaalsContact O-CB 3.22Å; S297-R300 WeakPolarHBondContact O-CB 3.41Å; S297-R300 VanDerWaalsContact O-CD 3.26Å; S297-R300 WeakPolarHBondContact O-CD 3.29Å; S297-R300 WeakPolarHBondContact O-CG 3.35Å; S297-R300 PolarHBondContact O-N 3.48Å
298	E	83.5	Confident	82	Confident	53 Å²	53	50.4 Å²	50.4	25%	0.248	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-68.4	-18.2	174.4	-63.7	-161.8	115.9	0	0	113.2	Y87 K295 V296 R300 Q301	Y87-E298 HydrophobicContact CD1-CG 3.53Å; Y87-E298 VanDerWaalsContact CD1-OE1 3.32Å; Y87-E298 WeakPolarHBondContact CD1-OE1 3.48Å; Y87-E298 VanDerWaalsContact CD1-OE2 3.31Å; Y87-E298 WeakPolarHBondContact CD1-OE2 3.32Å; Y87-E298 HydrophobicContact CE1-CG 4.43Å; Y87-E298 WeakPolarHBondContact CE1-OE2 3.46Å; Y87-E298 HydrophobicContact CG-CG 3.75Å; K295-E298 WeakPolarHBondContact O-CB 3.25Å; K295-E298 PolarHBondContact O-N 2.81Å; V296-E298 PolarHBondContact O-N 3.01Å; E298-R300 PolarHBondContact O-N 2.98Å; E298-Q301 WeakPolarHBondContact O-CG 3.41Å; E298-Q301 PolarHBondContact O-NE2 3.39Å
299	L	83.3	Confident	84.3	Confident	23 Å²	23	47.9 Å²	47.9	12%	0.12	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-76.8	0.5	179.1	-50.4	-179	0	0	0	111.8	V296 S297 Q301 F362 Q363 F366	V296-L299 HydrophobicContact CG1-CD1 4.41Å; V296-L299 HydrophobicContact CG2-CD1 4.39Å; V296-L299 VanDerWaalsContact O-CB 3.29Å; V296-L299 WeakPolarHBondContact O-CB 3.34Å; V296-L299 WeakPolarHBondContact O-CG 3.04Å; V296-L299 PolarHBondContact O-N 2.79Å; S297-L299 PolarHBondContact O-N 2.83Å; L299-Q301 VanDerWaalsContact C-N 3.25Å; L299-Q301 PolarHBondContact O-N 3.49Å; L299-F362 HydrophobicContact CD1-CD1 4.29Å; L299-Q363 HydrophobicContact CD1-CB 4.26Å; L299-Q363 HydrophobicContact CD2-CB 3.65Å; L299-Q363 HydrophobicContact CG-CB 4.39Å; L299-F366 HydrophobicContact CB-CD2 3.6Å; L299-F366 HydrophobicContact CB-CE2 4.03Å; L299-F366 HydrophobicContact CD1-CD2 4.09Å; L299-F366 HydrophobicContact CD1-CE2 3.81Å; L299-F366 HydrophobicContact CG-CD2 4.5Å
300	R	87.4	Confident	86.6	Confident	21 Å²	21	48.4 Å²	48.4	8%	0.079	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-83.5	8.4	-180	-57	172.9	-177.1	-179.8	1.9	114	A89 F90 D91 S297 E298 V302 A388 N390 H446	A89-R300 WeakPolarHBondContact O-CD 3.18Å; A89-R300 PolarHBondContact O-NH1 2.84Å; F90-R300 HydrophobicContact CB-CB 3.97Å; F90-R300 HydrophobicContact CD2-CB 3.69Å; F90-R300 HydrophobicContact CG-CB 4Å; D91-R300 IonicContact OD2-NH1 3.68Å; S297-R300 VanDerWaalsContact O-CB 3.22Å; S297-R300 WeakPolarHBondContact O-CB 3.41Å; S297-R300 VanDerWaalsContact O-CD 3.26Å; S297-R300 WeakPolarHBondContact O-CD 3.29Å; S297-R300 WeakPolarHBondContact O-CG 3.35Å; S297-R300 PolarHBondContact O-N 3.48Å; E298-R300 PolarHBondContact O-N 2.98Å; R300-V302 CarbonylContact O-C 3.48Å; R300-V302 PolarHBondContact O-N 3.38Å; R300-V302 VanDerWaalsContact O-N 3.13Å; R300-A388 VanDerWaalsContact CZ-O 3.29Å; R300-A388 PolarHBondContact NE-O 2.93Å; R300-A388 PolarHBondContact NH2-O 3.08Å; R300-N390 WeakPolarHBondContact CA-OD1 3.46Å; R300-N390 HydrophobicContact CB-CB 3.9Å; R300-N390 VanDerWaalsContact CB-CG 3.43Å; R300-N390 HydrophobicContact CG-CB 3.66Å; R300-N390 PolarHBondContact O-ND2 2.73Å; R300-H446 PolarHBondContact NH2-CD2 3.08Å; R300-H446 PolarHBondContact NH2-CE1 3.1Å; R300-H446 PolarHBondContact NH2-ND1 2.63Å; R300-H446 PolarHBondContact NH2-NE2 2.98Å
301	Q	84.3	Confident	88.6	Confident	139 Å²	139	45 Å²	45	65%	0.65	23%	0.227	S	C	*	.			trans	-51.4	-40	-174.5	-42.5	-174	5.7	0	0	114	F90 E298 L299 S303	F90-Q301 HydrophobicContact CE1-CB 4.28Å; F90-Q301 HydrophobicContact CE2-CG 4.04Å; F90-Q301 VanDerWaalsContact CZ-CA 3.5Å; F90-Q301 HydrophobicContact CZ-CB 3.92Å; F90-Q301 HydrophobicContact CZ-CG 3.72Å; E298-Q301 WeakPolarHBondContact O-CG 3.41Å; E298-Q301 PolarHBondContact O-NE2 3.39Å; L299-Q301 VanDerWaalsContact C-N 3.25Å; L299-Q301 PolarHBondContact O-N 3.49Å; Q301-S303 PolarHBondContact O-N 3.02Å; Q301-S303 VanDerWaalsContact O-N 3.13Å
302	V	91.2	Very high	90.1	Very high	54 Å²	54	42.8 Å²	42.8	33%	0.327	22%	0.217	S	C	.	.	S	Bend	trans	-76.3	104.5	172.6	-172.4	0	0	0	0	108	R300 N306 K307 N390	R300-V302 CarbonylContact O-C 3.48Å; R300-V302 PolarHBondContact O-N 3.38Å; R300-V302 VanDerWaalsContact O-N 3.13Å; V302-N306 HydrophobicContact CG1-CB 4.16Å; V302-K307 HydrophobicContact CB-CG 4.25Å; V302-K307 HydrophobicContact CG1-CB 4.48Å; V302-K307 HydrophobicContact CG1-CG 3.7Å; V302-K307 WeakPolarHBondContact O-CE 3.23Å; V302-N390 PolarHBondContact O-ND2 3.04Å
303	S	91.4	Very high	91	Very high	41 Å²	41	42.3 Å²	42.3	29%	0.287	21%	0.214	S	C	.	.			trans	-52.2	144.2	174.9	70.8	0	0	0	0	111.1	Q301 K305 N306 K307	Q301-S303 PolarHBondContact O-N 3.02Å; Q301-S303 VanDerWaalsContact O-N 3.13Å; S303-K305 PolarHBondContact O-N 2.96Å; S303-K305 WeakPolarHBondContact OG-CG 3.48Å; S303-N306 PolarHBondContact O-N 3.06Å; S303-N306 PolarHBondContact OG-ND2 2.98Å; S303-K307 PolarHBondContact O-N 3.18Å
304	W	93.8	Very high	91.7	Very high	35 Å²	35	42.5 Å²	42.5	13%	0.133	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-55.3	-34.5	-173.3	-171.3	92	0	0	0	113	N306 K307 K369 Y370 P435 V438 L439	W304-N306 VanDerWaalsContact C-N 3.3Å; W304-N306 PolarHBondContact O-N 3.13Å; W304-K307 PolarHBondContact O-N 3.15Å; W304-K369 HydrophobicContact CD2-CD 4.43Å; W304-K369 HydrophobicContact CH2-CD 4Å; W304-K369 HydrophobicContact CZ2-CB 4.46Å; W304-K369 HydrophobicContact CZ2-CD 3.84Å; W304-K369 HydrophobicContact CZ2-CG 4.35Å; W304-K369 HydrophobicContact CZ3-CD 4.37Å; W304-K369 WeakPolarHBondContact O-CE 3.28Å; W304-Y370 HydrophobicContact CZ2-CE1 4.23Å; W304-P435 HydrophobicContact CH2-CB 3.62Å; W304-P435 HydrophobicContact CZ3-CB 3.72Å; W304-V438 HydrophobicContact CZ2-CB 4.37Å; W304-V438 HydrophobicContact CZ2-CG1 3.66Å; W304-L439 HydrophobicContact CB-CD2 3.92Å; W304-L439 HydrophobicContact CD2-CD2 3.87Å; W304-L439 HydrophobicContact CE3-CD2 4.24Å; W304-L439 HydrophobicContact CG-CD2 3.71Å
305	K	93.8	Very high	92.2	Very high	158 Å²	158	42.5 Å²	42.5	69%	0.687	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-60.4	-36.3	176.3	58.2	177	-175.8	-169.2	0	113.2	S303	S303-K305 PolarHBondContact O-N 2.96Å; S303-K305 WeakPolarHBondContact OG-CG 3.48Å
306	N	95.9	Very high	92.6	Very high	119 Å²	119	46 Å²	46	64%	0.636	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-92.1	-5	-173.8	-67.1	-9.8	0	0	0	113.9	V302 S303 W304	V302-N306 HydrophobicContact CG1-CB 4.16Å; S303-N306 PolarHBondContact O-N 3.06Å; S303-N306 PolarHBondContact OG-ND2 2.98Å; W304-N306 VanDerWaalsContact C-N 3.3Å; W304-N306 PolarHBondContact O-N 3.13Å
307	K	97.4	Very high	93.2	Very high	8 Å²	8	46 Å²	46	4%	0.035	23%	0.226	C	C	.	.	S	Bend	trans	-69.4	152.5	177.8	-68.1	-177.5	-177.9	-135	0	112.2	V302 S303 W304 S309 F366 K367 K369 N390 S391	V302-K307 HydrophobicContact CB-CG 4.25Å; V302-K307 HydrophobicContact CG1-CB 4.48Å; V302-K307 HydrophobicContact CG1-CG 3.7Å; V302-K307 WeakPolarHBondContact O-CE 3.23Å; S303-K307 PolarHBondContact O-N 3.18Å; W304-K307 PolarHBondContact O-N 3.15Å; K307-S309 PolarHBondContact O-N 2.04Å; K307-F366 WeakPolarHBondContact CD-O 3.45Å; K307-F366 WeakPolarHBondContact CE-O 3.1Å; K307-F366 PolarHBondContact NZ-O 3.3Å; K307-K367 CarbonylContact C-O 3.39Å; K307-K367 WeakPolarHBondContact CA-O 3.46Å; K307-K367 WeakPolarHBondContact CB-O 3.3Å; K307-K369 HydrophobicContact CB-CG 3.55Å; K307-K369 HydrophobicContact CD-CG 4.48Å; K307-K369 WeakPolarHBondContact O-CE 3.47Å; K307-N390 VanDerWaalsContact CE-CG 3.49Å; K307-N390 WeakPolarHBondContact CE-ND2 3.31Å; K307-N390 VanDerWaalsContact CE-O 3.29Å; K307-N390 WeakPolarHBondContact CE-O 3.41Å; K307-N390 VanDerWaalsContact CE-OD1 3.29Å; K307-N390 WeakPolarHBondContact CE-OD1 3.25Å; K307-N390 VanDerWaalsContact NZ-CG 3.27Å; K307-N390 PolarHBondContact NZ-O 3.04Å; K307-N390 PolarHBondContact NZ-OD1 3.48Å; K307-S391 PolarHBondContact NZ-OG 3Å
308	T	97.8	Very high	93.8	Very high	66 Å²	66	46.5 Å²	46.5	41%	0.405	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	125	169.9	-61.2	0	0	0	0	110.5	K310 K367 Y368 K369	T308-K310 HydrophobicContact CG2-CB 4.1Å; T308-K310 HydrophobicContact CG2-CD 4.28Å; T308-K310 HydrophobicContact CG2-CG 3.94Å; T308-K310 PolarHBondContact O-N 3.46Å; T308-K367 PolarHBondContact N-O 3.5Å; T308-Y368 HydrophobicContact CG2-CD1 3.9Å; T308-Y368 HydrophobicContact CG2-CE1 4.07Å; T308-K369 PolarHBondContact O-N 2.96Å
309	S	97.7	Very high	94.4	Very high	47 Å²	47	46 Å²	46	33%	0.329	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	46.8	-175.8	-161.5	0	0	0	0	113.2	K307 K432	K307-S309 PolarHBondContact O-N 2.04Å; S309-K432 PolarHBondContact O-NZ 3.07Å
310	K	98.3	Very high	95	Very high	69 Å²	69	52 Å²	52	30%	0.3	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	155.3	177.4	-62.6	-171.1	-178.5	-175.3	0	110.6	T308 P333 D334 L335 Y368 Y370	T308-K310 HydrophobicContact CG2-CB 4.1Å; T308-K310 HydrophobicContact CG2-CD 4.28Å; T308-K310 HydrophobicContact CG2-CG 3.94Å; T308-K310 PolarHBondContact O-N 3.46Å; K310-P333 WeakPolarHBondContact CD-O 3.46Å; K310-P333 VanDerWaalsContact CE-O 3.27Å; K310-P333 WeakPolarHBondContact CE-O 3.44Å; K310-P333 PolarHBondContact NZ-O 3.04Å; K310-D334 WeakPolarHBondContact CG-O 3.5Å; K310-L335 WeakPolarHBondContact CA-O 3.44Å; K310-Y368 HydrophobicContact CB-CD1 4.24Å; K310-Y370 PolarHBondContact O-N 2.99Å
311	A	98.7	Very high	95.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	151.1	162.9	0	0	0	0	0	110.2	L335 L336 D337 Y370 V372 L394 I428	A311-L335 PolarHBondContact N-O 3.08Å; A311-L336 HydrophobicContact CB-CB 4.47Å; A311-L336 HydrophobicContact CB-CD1 3.62Å; A311-L336 WeakPolarHBondContact O-CA 3.32Å; A311-D337 PolarHBondContact O-N 3.16Å; A311-Y370 CarbonylContact C-O 3.46Å; A311-Y370 WeakPolarHBondContact CA-O 3.34Å; A311-V372 HydrophobicContact CB-CG2 3.93Å; A311-L394 HydrophobicContact CB-CD1 4.43Å; A311-I428 HydrophobicContact CB-CD1 3.58Å; A311-I428 HydrophobicContact CB-CG1 3.85Å; A311-I428 HydrophobicContact CB-CG2 4.38Å
312	F	98.6	Very high	96.1	Very high	1 Å²	1	47.4 Å²	47.4	0%	0.004	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	145	-176	-176.4	-99.5	0	0	0	112	R314 D337 I360 F365 Y368 Y370 V372	F312-R314 HydrophobicContact CE1-CG 3.88Å; F312-R314 HydrophobicContact CE2-CG 4.28Å; F312-R314 VanDerWaalsContact CE2-NH1 3.34Å; F312-R314 HydrophobicContact CZ-CG 3.5Å; F312-D337 WeakPolarHBondContact CA-O 3.33Å; F312-D337 HydrophobicContact CD2-CB 4.09Å; F312-D337 WeakPolarHBondContact CD2-O 3.33Å; F312-I360 HydrophobicContact CE2-CD1 4.24Å; F312-I360 HydrophobicContact CZ-CD1 3.77Å; F312-I360 HydrophobicContact CZ-CG2 4.44Å; F312-F365 HydrophobicContact CD1-CB 4.29Å; F312-F365 AromaticContact CD1-CD1 3.84Å; F312-F365 HydrophobicContact CD1-CD1 3.84Å; F312-F365 HydrophobicContact CD1-CE1 4.28Å; F312-F365 AromaticContact CD1-CG 3.97Å; F312-F365 HydrophobicContact CD1-CG 3.97Å; F312-F365 HydrophobicContact CE1-CB 4.28Å; F312-F365 AromaticContact CE1-CD1 3.72Å; F312-F365 HydrophobicContact CE1-CD1 3.72Å; F312-F365 AromaticContact CE1-CD2 3.73Å; F312-F365 HydrophobicContact CE1-CD2 3.73Å; F312-F365 AromaticContact CE1-CE1 3.91Å; F312-F365 HydrophobicContact CE1-CE1 3.91Å; F312-F365 AromaticContact CE1-CE2 3.91Å; F312-F365 HydrophobicContact CE1-CE2 3.91Å; F312-F365 AromaticContact CE1-CG 3.63Å; F312-F365 HydrophobicContact CE1-CG 3.63Å; F312-F365 HydrophobicContact CE1-CZ 4.01Å; F312-Y368 HydrophobicContact CB-CD1 3.83Å; F312-Y368 HydrophobicContact CB-CD2 3.89Å; F312-Y368 HydrophobicContact CB-CE1 4.38Å; F312-Y368 HydrophobicContact CB-CE2 4.47Å; F312-Y368 HydrophobicContact CB-CG 3.53Å; F312-Y368 HydrophobicContact CD1-CD2 4.25Å; F312-Y368 AromaticContact CD2-CD1 3.98Å; F312-Y368 HydrophobicContact CD2-CD1 3.98Å; F312-Y368 AromaticContact CD2-CD2 3.7Å; F312-Y368 HydrophobicContact CD2-CD2 3.7Å; F312-Y368 AromaticContact CD2-CE1 3.67Å; F312-Y368 HydrophobicContact CD2-CE1 3.67Å; F312-Y368 AromaticContact CD2-CE2 3.41Å; F312-Y368 HydrophobicContact CD2-CE2 3.41Å; F312-Y368 VanDerWaalsContact CD2-CE2 3.41Å; F312-Y368 AromaticContact CD2-CG 3.97Å; F312-Y368 HydrophobicContact CD2-CG 3.97Å; F312-Y368 AromaticContact CD2-CZ 3.36Å; F312-Y368 HydrophobicContact CE2-CD2 4.23Å; F312-Y368 HydrophobicContact CE2-CE1 4.36Å; F312-Y368 AromaticContact CE2-CE2 3.58Å; F312-Y368 HydrophobicContact CE2-CE2 3.58Å; F312-Y368 AromaticContact CE2-CZ 3.63Å; F312-Y368 HydrophobicContact CG-CD1 4.21Å; F312-Y368 AromaticContact CG-CD2 3.68Å; F312-Y368 HydrophobicContact CG-CD2 3.68Å; F312-Y368 HydrophobicContact CG-CE1 4.36Å; F312-Y368 AromaticContact CG-CE2 3.89Å; F312-Y368 HydrophobicContact CG-CE2 3.89Å; F312-Y368 AromaticContact CG-CG 3.85Å; F312-Y368 HydrophobicContact CG-CG 3.85Å; F312-Y368 HydrophobicContact CZ-CE2 4.21Å; F312-Y370 PolarHBondContact N-O 2.86Å; F312-V372 PolarHBondContact O-N 2.99Å; F312-V372 VanDerWaalsContact O-N 3.07Å
313	W	98.4	Very high	96.4	Very high	5 Å²	5	45.2 Å²	45.2	2%	0.019	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	142.8	171.2	-176.1	88	0	0	0	112.5	G315 R322 L325 V326 D337 A338 A339 L340 V372	W313-G315 VanDerWaalsContact CH2-CA 3.43Å; W313-R322 HydrophobicContact CH2-CB 3.87Å; W313-R322 HydrophobicContact CH2-CG 3.92Å; W313-R322 HydrophobicContact CZ2-CB 4.16Å; W313-R322 VanDerWaalsContact CZ2-CD 3.48Å; W313-R322 HydrophobicContact CZ2-CG 3.68Å; W313-L325 HydrophobicContact CB-CD2 3.7Å; W313-L325 HydrophobicContact CD2-CD2 3.44Å; W313-L325 VanDerWaalsContact CD2-CD2 3.44Å; W313-L325 HydrophobicContact CE3-CD2 3.79Å; W313-L325 HydrophobicContact CG-CD2 3.4Å; W313-L325 VanDerWaalsContact CG-CD2 3.4Å; W313-V326 HydrophobicContact CZ3-CG2 4.49Å; W313-D337 PolarHBondContact N-O 3.43Å; W313-A338 HydrophobicContact CB-CB 3.98Å; W313-A338 HydrophobicContact CE3-CB 4.22Å; W313-A338 WeakPolarHBondContact O-CA 3.35Å; W313-A339 VanDerWaalsContact CZ3-O 3.27Å; W313-A339 WeakPolarHBondContact CZ3-O 3.48Å; W313-A339 PolarHBondContact O-N 3.36Å; W313-L340 HydrophobicContact CH2-CD2 4.05Å; W313-L340 HydrophobicContact CZ3-CD2 4.08Å; W313-V372 HydrophobicContact CB-CB 4.34Å; W313-V372 VanDerWaalsContact CD1-O 3.26Å
314	R	97.4	Very high	96.7	Very high	24 Å²	24	46.6 Å²	46.6	9%	0.091	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	137.6	166	-67.1	-66.5	-178.1	-86.6	2.4	109.7	F312 D337 T341 I360 F365 R382	F312-R314 HydrophobicContact CE1-CG 3.88Å; F312-R314 HydrophobicContact CE2-CG 4.28Å; F312-R314 VanDerWaalsContact CE2-NH1 3.34Å; F312-R314 HydrophobicContact CZ-CG 3.5Å; R314-D337 IonicContact CZ-OD1 3.2Å; R314-D337 PolarHBondContact NH1-O 2.99Å; R314-D337 VanDerWaalsContact NH1-O 3.08Å; R314-D337 IonicContact NH1-OD1 2.79Å; R314-D337 PolarHBondContact NH1-OD1 3.28Å; R314-D337 IonicContact NH2-OD1 2.72Å; R314-D337 PolarHBondContact NH2-OD1 3.01Å; R314-D337 IonicContact NH2-OD2 3.53Å; R314-T341 HydrophobicContact CB-CG2 3.87Å; R314-T341 HydrophobicContact CG-CG2 4.36Å; R314-I360 HydrophobicContact CG-CD1 4.07Å; R314-F365 HydrophobicContact CB-CE1 4.48Å; R314-F365 HydrophobicContact CB-CE2 4.49Å; R314-F365 HydrophobicContact CB-CZ 3.82Å; R314-F365 HydrophobicContact CG-CZ 4.43Å; R314-R382 PolarHBondContact O-NH1 3.32Å
315	G	95.4	Very high	96.9	Very high	2 Å²	2	44.9 Å²	44.9	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.8	-179.4	176.3	0	0	0	0	0	113.1	W313 A339 L340 T341	W313-G315 VanDerWaalsContact CH2-CA 3.43Å; G315-A339 PolarHBondContact N-O 2.8Å; G315-L340 CarbonylContact O-C 3.54Å; G315-L340 WeakPolarHBondContact O-CA 3.45Å; G315-T341 PolarHBondContact O-N 3.09Å; G315-T341 PolarHBondContact O-OG1 2.6Å; G315-T341 VanDerWaalsContact O-OG1 3.06Å
316	R	95.1	Very high	97.1	Very high	102 Å²	102	37.7 Å²	37.7	39%	0.385	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	160.5	173.9	67.6	-179.8	-172.7	-168.2	4	111.4	D243 S318 R322 H342 T377	D243-R316 IonicContact OD2-NH2 2.78Å; R316-S318 PolarHBondContact O-N 2.9Å; R316-R322 WeakPolarHBondContact O-CD 3.46Å; R316-R322 PolarHBondContact O-NH1 2.92Å; R316-H342 WeakPolarHBondContact CA-O 3.31Å; R316-H342 HydrophobicContact CB-CB 4.35Å; R316-T377 PolarHBondContact NH2-OG1 3.22Å
317	D	96.1	Very high	97.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.167	C	C	.	.			trans	-71.3	36.5	177	69	-23.3	0	0	0	114.4	R319 L323 L340 H342 F343 F344 F345 F346	D317-R319 PolarHBondContact O-N 3.48Å; D317-L323 HydrophobicContact CB-CD2 4.01Å; D317-L340 HydrophobicContact CB-CD1 4.33Å; D317-L340 HydrophobicContact CB-CD2 3.97Å; D317-H342 PolarHBondContact N-O 3.42Å; D317-F343 HydrophobicContact CB-CD1 4.19Å; D317-F343 WeakPolarHBondContact OD2-CA 3.02Å; D317-F344 VanDerWaalsContact CG-N 3.35Å; D317-F344 PolarHBondContact OD1-N 3.22Å; D317-F344 PolarHBondContact OD2-N 2.97Å; D317-F344 VanDerWaalsContact OD2-N 3.1Å; D317-F345 PolarHBondContact OD1-N 2.77Å; D317-F345 PolarHBondContact OD2-N 2.03Å; D317-F345 VanDerWaalsContact OD2-N 3.08Å; D317-F346 HydrophobicContact CB-CD2 3.96Å; D317-F346 WeakPolarHBondContact O-CD2 3.41Å; D317-F346 WeakPolarHBondContact O-CE2 3.18Å; D317-F346 WeakPolarHBondContact OD2-CA 3.48Å; D317-F346 PolarHBondContact OD2-N 3.01Å
318	S	94.9	Very high	97.2	Very high	10 Å²	10	35.6 Å²	35.6	7%	0.07	17%	0.171	C	C	.	.			trans	-75.7	2.9	-169.5	56.9	0	0	0	0	117	R316 R322 F345 G376 T377	R316-S318 PolarHBondContact O-N 2.9Å; S318-R322 PolarHBondContact OG-NH1 2.89Å; S318-R322 VanDerWaalsContact OG-NH1 3.08Å; S318-F345 VanDerWaalsContact CA-CD2 3.42Å; S318-F345 VanDerWaalsContact CB-CE2 3.49Å; S318-G376 WeakPolarHBondContact OG-CA 3.29Å; S318-T377 PolarHBondContact OG-N 3.38Å
319	R	95.4	Very high	97.3	Very high	41 Å²	41	33 Å²	33	16%	0.155	16%	0.156	C	C	.	.	S	Bend	trans	-162	156.6	172.9	68.7	-176.9	-57.6	161.7	-15.1	110.8	D317 E321 R322 D375 G376	D317-R319 PolarHBondContact O-N 3.48Å; R319-E321 HydrophobicContact CG-CB 4.26Å; R319-E321 WeakPolarHBondContact CG-OE2 3.39Å; R319-E321 IonicContact CZ-OE1 2.66Å; R319-E321 IonicContact CZ-OE2 3.59Å; R319-E321 IonicContact NE-OE1 2.63Å; R319-E321 PolarHBondContact NE-OE1 3.25Å; R319-E321 IonicContact NE-OE2 3.99Å; R319-E321 PolarHBondContact NE-OE2 3.17Å; R319-E321 VanDerWaalsContact NH2-CD 3.29Å; R319-E321 IonicContact NH2-OE1 3.69Å; R319-E321 PolarHBondContact NH2-OE1 3.38Å; R319-E321 IonicContact NH2-OE2 2.67Å; R319-E321 PolarHBondContact O-N 3.46Å; R319-R322 HydrophobicContact CG-CB 4.4Å; R319-R322 HydrophobicContact CG-CG 3.8Å; R319-R322 WeakPolarHBondContact O-CB 3.47Å; R319-R322 PolarHBondContact O-N 2.97Å; R319-D375 VanDerWaalsContact CD-C 3.47Å; R319-D375 WeakPolarHBondContact CD-O 2.87Å; R319-G376 WeakPolarHBondContact CD-O 3.24Å
320	K	96.2	Very high	97.2	Very high	151 Å²	151	36.8 Å²	36.8	66%	0.657	16%	0.163	S	C	*	.	H	α-helix	trans	-58.8	-34.3	-178	-69.2	-174.2	177.7	-178	0	113	R322 L323 L324 F346	K320-R322 PolarHBondContact O-N 2.99Å; K320-L323 WeakPolarHBondContact O-CA 3.27Å; K320-L323 VanDerWaalsContact O-CB 3.26Å; K320-L323 WeakPolarHBondContact O-CB 3.39Å; K320-L323 PolarHBondContact O-N 3.2Å; K320-L324 PolarHBondContact O-N 2.9Å; K320-F346 HydrophobicContact CG-CE1 3.88Å; K320-F346 HydrophobicContact CG-CZ 3.76Å
321	E	97.4	Very high	97.2	Very high	50 Å²	50	37.8 Å²	37.8	23%	0.234	18%	0.178	C	C	.	.	H	α-helix	trans	-65.9	-26	-179.8	-63.2	89.6	147	0	0	112.3	R319 L324 L325 V374 L421	R319-E321 HydrophobicContact CG-CB 4.26Å; R319-E321 WeakPolarHBondContact CG-OE2 3.39Å; R319-E321 IonicContact CZ-OE1 2.66Å; R319-E321 IonicContact CZ-OE2 3.59Å; R319-E321 IonicContact NE-OE1 2.63Å; R319-E321 PolarHBondContact NE-OE1 3.25Å; R319-E321 IonicContact NE-OE2 3.99Å; R319-E321 PolarHBondContact NE-OE2 3.17Å; R319-E321 VanDerWaalsContact NH2-CD 3.29Å; R319-E321 IonicContact NH2-OE1 3.69Å; R319-E321 PolarHBondContact NH2-OE1 3.38Å; R319-E321 IonicContact NH2-OE2 2.67Å; R319-E321 PolarHBondContact O-N 3.46Å; E321-L324 PolarHBondContact O-N 2.67Å; E321-L325 WeakPolarHBondContact O-CB 3.43Å; E321-L325 PolarHBondContact O-N 3.28Å; E321-V374 HydrophobicContact CB-CG1 4.18Å; E321-L421 HydrophobicContact CB-CD1 3.86Å; E321-L421 HydrophobicContact CG-CD1 4.17Å; E321-L421 VanDerWaalsContact O-CD2 3.3Å; E321-L421 WeakPolarHBondContact O-CD2 3.37Å
322	R	97.7	Very high	97.2	Very high	13 Å²	13	40.8 Å²	40.8	5%	0.049	19%	0.192	C	C	.	.	H	α-helix	trans	-72.5	-33	171.6	-68.7	179	174.9	-160.3	-1.1	111.9	W313 R316 S318 R319 K320 L325 V326 V374 D375 G376	W313-R322 HydrophobicContact CH2-CB 3.87Å; W313-R322 HydrophobicContact CH2-CG 3.92Å; W313-R322 HydrophobicContact CZ2-CB 4.16Å; W313-R322 VanDerWaalsContact CZ2-CD 3.48Å; W313-R322 HydrophobicContact CZ2-CG 3.68Å; R316-R322 WeakPolarHBondContact O-CD 3.46Å; R316-R322 PolarHBondContact O-NH1 2.92Å; S318-R322 PolarHBondContact OG-NH1 2.89Å; S318-R322 VanDerWaalsContact OG-NH1 3.08Å; R319-R322 HydrophobicContact CG-CB 4.4Å; R319-R322 HydrophobicContact CG-CG 3.8Å; R319-R322 WeakPolarHBondContact O-CB 3.47Å; R319-R322 PolarHBondContact O-N 2.97Å; K320-R322 PolarHBondContact O-N 2.99Å; R322-L325 WeakPolarHBondContact O-CB 3.49Å; R322-L325 PolarHBondContact O-N 3.11Å; R322-V326 PolarHBondContact O-N 3.26Å; R322-V374 HydrophobicContact CG-CB 4.34Å; R322-V374 HydrophobicContact CG-CG1 3.76Å; R322-V374 PolarHBondContact NH2-O 3.46Å; R322-D375 PolarHBondContact NE-O 2.86Å; R322-D375 PolarHBondContact NH2-O 2.97Å; R322-G376 VanDerWaalsContact CZ-CA 3.47Å
323	L	97.3	Very high	97.2	Very high	8 Å²	8	44.3 Å²	44.3	4%	0.042	22%	0.215	C	C	.	.	H	α-helix	trans	-67.3	-44.9	171.3	-53.4	-176.6	0	0	0	110.5	D317 K320 L325 V326 N327 L340 F346 Y353	D317-L323 HydrophobicContact CB-CD2 4.01Å; K320-L323 WeakPolarHBondContact O-CA 3.27Å; K320-L323 VanDerWaalsContact O-CB 3.26Å; K320-L323 WeakPolarHBondContact O-CB 3.39Å; K320-L323 PolarHBondContact O-N 3.2Å; L323-L325 VanDerWaalsContact C-N 3.3Å; L323-L325 PolarHBondContact O-N 3.33Å; L323-V326 PolarHBondContact O-N 3.38Å; L323-V326 VanDerWaalsContact O-N 3.11Å; L323-N327 PolarHBondContact O-N 2.74Å; L323-L340 HydrophobicContact CD2-CD1 3.58Å; L323-L340 HydrophobicContact CD2-CD2 4.39Å; L323-F346 HydrophobicContact CD1-CB 4.14Å; L323-F346 HydrophobicContact CD1-CD1 3.85Å; L323-F346 HydrophobicContact CD1-CD2 4Å; L323-F346 HydrophobicContact CD1-CE1 4.24Å; L323-F346 HydrophobicContact CD1-CE2 4.38Å; L323-F346 HydrophobicContact CD1-CG 3.73Å; L323-F346 HydrophobicContact CD1-CZ 4.5Å; L323-F346 HydrophobicContact CD2-CD2 4.5Å; L323-F346 HydrophobicContact CG-CD2 4.42Å; L323-Y353 HydrophobicContact CB-CE1 4.07Å; L323-Y353 HydrophobicContact CB-CE2 4.17Å; L323-Y353 WeakPolarHBondContact CB-OH 3.43Å; L323-Y353 HydrophobicContact CD1-CE2 4.13Å; L323-Y353 HydrophobicContact CD2-CD2 4.36Å; L323-Y353 HydrophobicContact CD2-CE2 4.17Å; L323-Y353 HydrophobicContact CG-CE2 4.4Å
324	L	97	Very high	97.1	Very high	69 Å²	69	48.5 Å²	48.5	36%	0.361	24%	0.238	S	C	.	.	H	α-helix	trans	-59	-40.5	174	-179.7	59.8	0	0	0	112	K320 E321 V326 N327 I328 D420 L421	K320-L324 PolarHBondContact O-N 2.9Å; E321-L324 PolarHBondContact O-N 2.67Å; L324-V326 VanDerWaalsContact C-N 3.29Å; L324-V326 PolarHBondContact O-N 3.38Å; L324-N327 WeakPolarHBondContact O-CB 3.5Å; L324-N327 PolarHBondContact O-N 3.02Å; L324-N327 VanDerWaalsContact O-N 3.14Å; L324-I328 HydrophobicContact CD1-CD1 4.48Å; L324-I328 HydrophobicContact CD1-CG1 4.45Å; L324-I328 HydrophobicContact CG-CD1 4.11Å; L324-I328 WeakPolarHBondContact O-CG1 3.49Å; L324-I328 PolarHBondContact O-N 3.4Å; L324-D420 VanDerWaalsContact CD2-O 3.24Å; L324-D420 WeakPolarHBondContact CD2-O 3.25Å; L324-L421 HydrophobicContact CB-CD2 4.4Å; L324-L421 HydrophobicContact CD2-CB 4.22Å; L324-L421 HydrophobicContact CD2-CD2 4.4Å; L324-L421 HydrophobicContact CG-CD2 4.27Å
325	L	98.4	Very high	97.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-57.9	-41.8	175	-175.5	69	0	0	0	112.1	W313 E321 R322 L323 I328 S329 L336 A338 V372 V374 L421 L424	W313-L325 HydrophobicContact CB-CD2 3.7Å; W313-L325 HydrophobicContact CD2-CD2 3.44Å; W313-L325 VanDerWaalsContact CD2-CD2 3.44Å; W313-L325 HydrophobicContact CE3-CD2 3.79Å; W313-L325 HydrophobicContact CG-CD2 3.4Å; W313-L325 VanDerWaalsContact CG-CD2 3.4Å; E321-L325 WeakPolarHBondContact O-CB 3.43Å; E321-L325 PolarHBondContact O-N 3.28Å; R322-L325 WeakPolarHBondContact O-CB 3.49Å; R322-L325 PolarHBondContact O-N 3.11Å; L323-L325 VanDerWaalsContact C-N 3.3Å; L323-L325 PolarHBondContact O-N 3.33Å; L325-I328 PolarHBondContact O-N 2.88Å; L325-S329 PolarHBondContact O-N 2.92Å; L325-L336 HydrophobicContact CD1-CD2 3.6Å; L325-L336 HydrophobicContact CG-CD2 4.22Å; L325-A338 HydrophobicContact CD2-CB 4.04Å; L325-A338 HydrophobicContact CG-CB 3.81Å; L325-V372 HydrophobicContact CD1-CG1 4.09Å; L325-V372 HydrophobicContact CD2-CG1 4.44Å; L325-V374 HydrophobicContact CD1-CG2 4.48Å; L325-V374 HydrophobicContact CD2-CG2 3.87Å; L325-L421 HydrophobicContact CB-CD2 3.81Å; L325-L421 HydrophobicContact CD1-CD2 4.08Å; L325-L424 HydrophobicContact CD1-CD2 3.34Å
326	V	98.1	Very high	97.3	Very high	7 Å²	7	47.8 Å²	47.8	4%	0.042	24%	0.236	C	C	.	.	H	α-helix	trans	-67.2	-39.1	175.7	174.2	0	0	0	0	111.4	W313 R322 L323 L324 I328 S329 R330 L340 Y353	W313-V326 HydrophobicContact CZ3-CG2 4.49Å; R322-V326 PolarHBondContact O-N 3.26Å; L323-V326 PolarHBondContact O-N 3.38Å; L323-V326 VanDerWaalsContact O-N 3.11Å; L324-V326 VanDerWaalsContact C-N 3.29Å; L324-V326 PolarHBondContact O-N 3.38Å; V326-I328 PolarHBondContact O-N 3.29Å; V326-S329 WeakPolarHBondContact O-CB 3.36Å; V326-S329 PolarHBondContact O-N 2.75Å; V326-R330 WeakPolarHBondContact O-CG 3.44Å; V326-R330 PolarHBondContact O-N 2.98Å; V326-L340 HydrophobicContact CG2-CG 4Å; V326-Y353 HydrophobicContact CB-CD1 4.32Å; V326-Y353 HydrophobicContact CB-CE1 4.43Å; V326-Y353 HydrophobicContact CG1-CD1 3.96Å; V326-Y353 HydrophobicContact CG1-CE1 4.44Å
327	N	97.7	Very high	97.5	Very high	56 Å²	56	44.9 Å²	44.9	30%	0.299	23%	0.227	S	C	.	.	H	α-helix	trans	-60.8	-45.5	173.4	-68.8	-23	0	0	0	111.7	L323 L324 S329 R330 S331 Y353	L323-N327 PolarHBondContact O-N 2.74Å; L324-N327 WeakPolarHBondContact O-CB 3.5Å; L324-N327 PolarHBondContact O-N 3.02Å; L324-N327 VanDerWaalsContact O-N 3.14Å; N327-S329 VanDerWaalsContact C-N 3.29Å; N327-S329 PolarHBondContact O-N 3.47Å; N327-R330 PolarHBondContact O-N 3.09Å; N327-S331 PolarHBondContact O-N 3.28Å; N327-S331 PolarHBondContact O-OG 3.49Å; N327-Y353 PolarHBondContact ND2-OH 2.94Å; N327-Y353 WeakPolarHBondContact OD1-CE1 3.39Å
328	I	98.5	Very high	97.6	Very high	26 Å²	26	45.1 Å²	45.1	13%	0.133	23%	0.23	C	C	.	.	H	α-helix	trans	-59.1	-42.3	175.8	-67	167	0	0	0	110.8	L324 L325 V326 S331 H332 L336 L421 L425	L324-I328 HydrophobicContact CD1-CD1 4.48Å; L324-I328 HydrophobicContact CD1-CG1 4.45Å; L324-I328 HydrophobicContact CG-CD1 4.11Å; L324-I328 WeakPolarHBondContact O-CG1 3.49Å; L324-I328 PolarHBondContact O-N 3.4Å; L325-I328 PolarHBondContact O-N 2.88Å; V326-I328 PolarHBondContact O-N 3.29Å; I328-S331 PolarHBondContact O-N 3.14Å; I328-H332 PolarHBondContact O-N 2.96Å; I328-H332 PolarHBondContact O-ND1 3.08Å; I328-L336 HydrophobicContact CB-CD2 4.39Å; I328-L336 HydrophobicContact CG2-CD2 4.02Å; I328-L421 HydrophobicContact CD1-CB 3.76Å; I328-L421 HydrophobicContact CD1-CD2 4.07Å; I328-L425 HydrophobicContact CG2-CD1 4.2Å; I328-L425 HydrophobicContact CG2-CD2 3.62Å; I328-L425 HydrophobicContact CG2-CG 3.89Å
329	S	98.3	Very high	97.7	Very high	11 Å²	11	45.4 Å²	45.4	8%	0.077	23%	0.232	C	C	.	.	H	α-helix	trans	-64	-41.8	177.7	-179.6	0	0	0	0	112.8	L325 V326 N327 S331 H332 P333 L336 A338	L325-S329 PolarHBondContact O-N 2.92Å; V326-S329 WeakPolarHBondContact O-CB 3.36Å; V326-S329 PolarHBondContact O-N 2.75Å; N327-S329 VanDerWaalsContact C-N 3.29Å; N327-S329 PolarHBondContact O-N 3.47Å; S329-S331 VanDerWaalsContact C-N 3.33Å; S329-S331 PolarHBondContact O-N 2.87Å; S329-H332 CarbonylContact O-C 3.6Å; S329-H332 VanDerWaalsContact O-C 3.23Å; S329-H332 PolarHBondContact O-N 2.59Å; S329-P333 VanDerWaalsContact O-CA 3.29Å; S329-P333 WeakPolarHBondContact O-CA 3.33Å; S329-L336 PolarHBondContact OG-O 3.25Å; S329-A338 PolarHBondContact OG-N 3.25Å
330	R	96.7	Very high	97.8	Very high	128 Å²	128	43.9 Å²	43.9	48%	0.483	23%	0.227	S	C	.	.	H	α-helix	trans	-63.1	-38.3	176.1	-73.9	172.8	169	-171.3	-9.8	112.5	V326 N327 V352 Y353	V326-R330 WeakPolarHBondContact O-CG 3.44Å; V326-R330 PolarHBondContact O-N 2.98Å; N327-R330 PolarHBondContact O-N 3.09Å; R330-V352 PolarHBondContact NH1-O 3.33Å; R330-Y353 PolarHBondContact NH2-O 3.32Å
331	S	98	Very high	97.8	Very high	89 Å²	89	37.9 Å²	37.9	62%	0.622	20%	0.204	S	C	*	.	H	α-helix	trans	-77.6	-23.5	177	-57.5	0	0	0	0	113.5	N327 I328 S329	N327-S331 PolarHBondContact O-N 3.28Å; N327-S331 PolarHBondContact O-OG 3.49Å; I328-S331 PolarHBondContact O-N 3.14Å; S329-S331 VanDerWaalsContact C-N 3.33Å; S329-S331 PolarHBondContact O-N 2.87Å
332	H	98.4	Very high	97.6	Very high	64 Å²	64	40.6 Å²	40.6	30%	0.296	22%	0.216	S	C	.	.			trans	-135.5	59.4	-177.1	-55.9	85.8	0	0	0	112.2	I328 S329 D334 L335 L336 L425	I328-H332 PolarHBondContact O-N 2.96Å; I328-H332 PolarHBondContact O-ND1 3.08Å; S329-H332 CarbonylContact O-C 3.6Å; S329-H332 VanDerWaalsContact O-C 3.23Å; S329-H332 PolarHBondContact O-N 2.59Å; H332-D334 PolarHBondContact O-N 3.08Å; H332-D334 VanDerWaalsContact O-N 3.17Å; H332-L335 HydrophobicContact CB-CB 4.3Å; H332-L335 HydrophobicContact CB-CD1 4.4Å; H332-L335 PolarHBondContact O-N 3.1Å; H332-L336 PolarHBondContact O-N 3.48Å; H332-L425 HydrophobicContact CB-CD2 4.1Å; H332-L425 WeakPolarHBondContact CE1-CD1 3.35Å; H332-L425 WeakPolarHBondContact ND1-CD1 3.42Å
333	P	97.9	Very high	97.4	Very high	75 Å²	75	40.9 Å²	40.9	49%	0.487	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-16.9	-174.2	28.7	-36.4	0	0	0	112.8	K310 S329 L335	K310-P333 WeakPolarHBondContact CD-O 3.46Å; K310-P333 VanDerWaalsContact CE-O 3.27Å; K310-P333 WeakPolarHBondContact CE-O 3.44Å; K310-P333 PolarHBondContact NZ-O 3.04Å; S329-P333 VanDerWaalsContact O-CA 3.29Å; S329-P333 WeakPolarHBondContact O-CA 3.33Å; P333-L335 VanDerWaalsContact C-N 3.32Å
334	D	97.8	Very high	97.2	Very high	93 Å²	93	47.1 Å²	47.1	50%	0.497	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-23	172.6	70.2	-59.1	0	0	0	112.8	K310 H332	K310-D334 WeakPolarHBondContact CG-O 3.5Å; H332-D334 PolarHBondContact O-N 3.08Å; H332-D334 VanDerWaalsContact O-N 3.17Å
335	L	98.4	Very high	97	Very high	11 Å²	11	48.2 Å²	48.2	6%	0.058	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-37.8	-178.7	-64.2	-179	0	0	0	113.5	K310 A311 H332 P333 L425 I428 K429 K432	K310-L335 WeakPolarHBondContact CA-O 3.44Å; A311-L335 PolarHBondContact N-O 3.08Å; H332-L335 HydrophobicContact CB-CB 4.3Å; H332-L335 HydrophobicContact CB-CD1 4.4Å; H332-L335 PolarHBondContact O-N 3.1Å; P333-L335 VanDerWaalsContact C-N 3.32Å; L335-L425 HydrophobicContact CB-CD2 4.43Å; L335-L425 HydrophobicContact CD1-CD2 4.04Å; L335-I428 HydrophobicContact CB-CG2 4.35Å; L335-K429 HydrophobicContact CD1-CD 4.48Å; L335-K429 VanDerWaalsContact CD1-CE 3.49Å; L335-K429 HydrophobicContact CD1-CG 4.22Å; L335-K432 HydrophobicContact CD2-CD 4.26Å
336	L	98.7	Very high	96.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	130.2	-171.4	174.6	65.5	0	0	0	111	A311 L325 I328 S329 H332 A338 V372 L424 I428	A311-L336 HydrophobicContact CB-CB 4.47Å; A311-L336 HydrophobicContact CB-CD1 3.62Å; A311-L336 WeakPolarHBondContact O-CA 3.32Å; L325-L336 HydrophobicContact CD1-CD2 3.6Å; L325-L336 HydrophobicContact CG-CD2 4.22Å; I328-L336 HydrophobicContact CB-CD2 4.39Å; I328-L336 HydrophobicContact CG2-CD2 4.02Å; S329-L336 PolarHBondContact OG-O 3.25Å; H332-L336 PolarHBondContact O-N 3.48Å; L336-A338 HydrophobicContact CD1-CB 4.1Å; L336-A338 HydrophobicContact CD2-CB 4.13Å; L336-A338 HydrophobicContact CG-CB 3.98Å; L336-V372 HydrophobicContact CD1-CG2 3.81Å; L336-L424 HydrophobicContact CD2-CD2 4.31Å; L336-I428 HydrophobicContact CB-CD1 4.36Å
337	D	98.3	Very high	96.6	Very high	40 Å²	40	54 Å²	54	21%	0.214	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	94.8	169.4	177.8	-4.1	0	0	0	108.9	A311 F312 W313 R314 Y368	A311-D337 PolarHBondContact O-N 3.16Å; F312-D337 WeakPolarHBondContact CA-O 3.33Å; F312-D337 HydrophobicContact CD2-CB 4.09Å; F312-D337 WeakPolarHBondContact CD2-O 3.33Å; W313-D337 PolarHBondContact N-O 3.43Å; R314-D337 IonicContact CZ-OD1 3.2Å; R314-D337 PolarHBondContact NH1-O 2.99Å; R314-D337 VanDerWaalsContact NH1-O 3.08Å; R314-D337 IonicContact NH1-OD1 2.79Å; R314-D337 PolarHBondContact NH1-OD1 3.28Å; R314-D337 IonicContact NH2-OD1 2.72Å; R314-D337 PolarHBondContact NH2-OD1 3.01Å; R314-D337 IonicContact NH2-OD2 3.53Å; D337-Y368 HydrophobicContact CB-CE1 4.22Å; D337-Y368 PolarHBondContact OD2-OH 3.48Å
338	A	98.2	Very high	96.4	Very high	6 Å²	6	58.7 Å²	58.7	5%	0.05	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	132.2	179.6	0	0	0	0	0	111.4	W313 L325 S329 L336	W313-A338 HydrophobicContact CB-CB 3.98Å; W313-A338 HydrophobicContact CE3-CB 4.22Å; W313-A338 WeakPolarHBondContact O-CA 3.35Å; L325-A338 HydrophobicContact CD2-CB 4.04Å; L325-A338 HydrophobicContact CG-CB 3.81Å; S329-A338 PolarHBondContact OG-N 3.25Å; L336-A338 HydrophobicContact CD1-CB 4.1Å; L336-A338 HydrophobicContact CD2-CB 4.13Å; L336-A338 HydrophobicContact CG-CB 3.98Å
339	A	97.5	Very high	96.2	Very high	15 Å²	15	60 Å²	60	12%	0.124	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	153	179.4	0	0	0	0	0	112.9	W313 G315 V357	W313-A339 VanDerWaalsContact CZ3-O 3.27Å; W313-A339 WeakPolarHBondContact CZ3-O 3.48Å; W313-A339 PolarHBondContact O-N 3.36Å; G315-A339 PolarHBondContact N-O 2.8Å; A339-V357 HydrophobicContact CB-CB 4.48Å; A339-V357 HydrophobicContact CB-CG1 4.01Å; A339-V357 HydrophobicContact CB-CG2 3.6Å
340	L	97.4	Very high	95.9	Very high	9 Å²	9	62.6 Å²	62.6	5%	0.047	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	131	176	-65.1	167.4	0	0	0	110.4	W313 G315 D317 L323 V326 F343 Y353 A356 V357	W313-L340 HydrophobicContact CH2-CD2 4.05Å; W313-L340 HydrophobicContact CZ3-CD2 4.08Å; G315-L340 CarbonylContact O-C 3.54Å; G315-L340 WeakPolarHBondContact O-CA 3.45Å; D317-L340 HydrophobicContact CB-CD1 4.33Å; D317-L340 HydrophobicContact CB-CD2 3.97Å; L323-L340 HydrophobicContact CD2-CD1 3.58Å; L323-L340 HydrophobicContact CD2-CD2 4.39Å; V326-L340 HydrophobicContact CG2-CG 4Å; L340-F343 HydrophobicContact CB-CE2 4.24Å; L340-F343 HydrophobicContact CB-CZ 4.16Å; L340-F343 HydrophobicContact CD1-CD1 4.4Å; L340-F343 HydrophobicContact CD1-CE1 3.49Å; L340-F343 VanDerWaalsContact CD1-CE1 3.49Å; L340-F343 HydrophobicContact CD1-CE2 4.3Å; L340-F343 HydrophobicContact CD1-CZ 3.43Å; L340-F343 VanDerWaalsContact CD1-CZ 3.43Å; L340-F343 HydrophobicContact CG-CZ 4.43Å; L340-Y353 HydrophobicContact CD1-CD1 4.47Å; L340-Y353 HydrophobicContact CD1-CG 4.27Å; L340-A356 WeakPolarHBondContact O-CA 3.18Å; L340-V357 WeakPolarHBondContact O-CG2 2.91Å; L340-V357 PolarHBondContact O-N 3.25Å
341	T	95.9	Very high	95.7	Very high	26 Å²	26	62.1 Å²	62.1	16%	0.16	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-12	-179.7	50.2	0	0	0	0	113.3	R314 G315 V357 T359	R314-T341 HydrophobicContact CB-CG2 3.87Å; R314-T341 HydrophobicContact CG-CG2 4.36Å; G315-T341 PolarHBondContact O-N 3.09Å; G315-T341 PolarHBondContact O-OG1 2.6Å; G315-T341 VanDerWaalsContact O-OG1 3.06Å; T341-V357 WeakPolarHBondContact CA-O 2.98Å; T341-V357 HydrophobicContact CG2-CG2 4.1Å; T341-T359 HydrophobicContact CG2-CG2 4.44Å
342	H	94.2	Very high	95.5	Very high	107 Å²	107	62.1 Å²	62.1	50%	0.495	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	144.6	176.9	-162	-82.2	0	0	0	109.5	R316 D317	R316-H342 WeakPolarHBondContact CA-O 3.31Å; R316-H342 HydrophobicContact CB-CB 4.35Å; D317-H342 PolarHBondContact N-O 3.42Å
343	F	93.6	Very high	95.2	Very high	19 Å²	19	60.5 Å²	60.5	8%	0.083	32%	0.321	C	S	.	.			trans	-107.5	130.1	169.7	-70.8	-93.6	0	0	0	109.8	D317 L340 N347 I350 G354 A356	D317-F343 HydrophobicContact CB-CD1 4.19Å; D317-F343 WeakPolarHBondContact OD2-CA 3.02Å; L340-F343 HydrophobicContact CB-CE2 4.24Å; L340-F343 HydrophobicContact CB-CZ 4.16Å; L340-F343 HydrophobicContact CD1-CD1 4.4Å; L340-F343 HydrophobicContact CD1-CE1 3.49Å; L340-F343 VanDerWaalsContact CD1-CE1 3.49Å; L340-F343 HydrophobicContact CD1-CE2 4.3Å; L340-F343 HydrophobicContact CD1-CZ 3.43Å; L340-F343 VanDerWaalsContact CD1-CZ 3.43Å; L340-F343 HydrophobicContact CG-CZ 4.43Å; F343-N347 VanDerWaalsContact C-OD1 3.29Å; F343-N347 WeakPolarHBondContact CB-OD1 3.29Å; F343-N347 PolarHBondContact O-OD1 3.12Å; F343-I350 HydrophobicContact CB-CD1 3.97Å; F343-I350 HydrophobicContact CB-CG1 4.04Å; F343-I350 HydrophobicContact CD1-CG1 3.71Å; F343-I350 HydrophobicContact CD2-CD1 4.26Å; F343-I350 HydrophobicContact CD2-CG1 3.76Å; F343-I350 HydrophobicContact CE1-CG1 4.02Å; F343-I350 HydrophobicContact CE2-CG1 4.08Å; F343-I350 HydrophobicContact CG-CD1 4.03Å; F343-I350 HydrophobicContact CG-CG1 3.56Å; F343-I350 HydrophobicContact CZ-CG1 4.2Å; F343-G354 WeakPolarHBondContact CE2-O 3.46Å; F343-A356 HydrophobicContact CD2-CB 4.06Å; F343-A356 HydrophobicContact CE2-CB 4.19Å
344	F	92.4	Very high	94.9	Very high	138 Å²	138	58 Å²	58	61%	0.605	31%	0.31	S	S	*	.	S	Bend	trans	-142.3	-36.5	177.1	-175.7	-91.4	0	0	0	111.2	D317	D317-F344 VanDerWaalsContact CG-N 3.35Å; D317-F344 PolarHBondContact OD1-N 3.22Å; D317-F344 PolarHBondContact OD2-N 2.97Å; D317-F344 VanDerWaalsContact OD2-N 3.1Å
345	F	93	Very high	94.5	Very high	93 Å²	93	59 Å²	59	41%	0.408	32%	0.321	S	S	.	.	S	Bend	trans	-100	-26	-174.5	-61	-93.1	0	0	0	112.9	D317 S318	D317-F345 PolarHBondContact OD1-N 2.77Å; D317-F345 PolarHBondContact OD2-N 2.03Å; D317-F345 VanDerWaalsContact OD2-N 3.08Å; S318-F345 VanDerWaalsContact CA-CD2 3.42Å; S318-F345 VanDerWaalsContact CB-CE2 3.49Å
346	F	94.4	Very high	94.2	Very high	43 Å²	43	60.7 Å²	60.7	19%	0.189	34%	0.336	C	S	.	.			trans	-129.6	46.4	-174.7	-59.1	-86.7	0	0	0	111.2	D317 K320 L323 N348 D349	D317-F346 HydrophobicContact CB-CD2 3.96Å; D317-F346 WeakPolarHBondContact O-CD2 3.41Å; D317-F346 WeakPolarHBondContact O-CE2 3.18Å; D317-F346 WeakPolarHBondContact OD2-CA 3.48Å; D317-F346 PolarHBondContact OD2-N 3.01Å; K320-F346 HydrophobicContact CG-CE1 3.88Å; K320-F346 HydrophobicContact CG-CZ 3.76Å; L323-F346 HydrophobicContact CD1-CB 4.14Å; L323-F346 HydrophobicContact CD1-CD1 3.85Å; L323-F346 HydrophobicContact CD1-CD2 4Å; L323-F346 HydrophobicContact CD1-CE1 4.24Å; L323-F346 HydrophobicContact CD1-CE2 4.38Å; L323-F346 HydrophobicContact CD1-CG 3.73Å; L323-F346 HydrophobicContact CD1-CZ 4.5Å; L323-F346 HydrophobicContact CD2-CD2 4.5Å; L323-F346 HydrophobicContact CG-CD2 4.42Å; F346-N348 PolarHBondContact O-N 3.03Å; F346-D349 HydrophobicContact CB-CB 4.22Å; F346-D349 WeakPolarHBondContact CB-OD2 3.47Å; F346-D349 WeakPolarHBondContact CD1-OD2 3.42Å; F346-D349 WeakPolarHBondContact O-CB 3.42Å; F346-D349 PolarHBondContact O-N 2.83Å
347	N	92.4	Very high	94	Very high	85 Å²	85	63.5 Å²	63.5	46%	0.455	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-56.1	-33.2	179	-67.8	-25.5	0	0	0	112.9	F343 D349 I350	F343-N347 VanDerWaalsContact C-OD1 3.29Å; F343-N347 WeakPolarHBondContact CB-OD1 3.29Å; F343-N347 PolarHBondContact O-OD1 3.12Å; N347-D349 PolarHBondContact O-N 3.34Å; N347-I350 HydrophobicContact CB-CD1 4.4Å; N347-I350 WeakPolarHBondContact O-CB 3.38Å; N347-I350 WeakPolarHBondContact O-CD1 3.42Å; N347-I350 WeakPolarHBondContact O-CG1 3.22Å; N347-I350 PolarHBondContact O-N 3.47Å
348	N	94.5	Very high	93.8	Very high	154 Å²	154	65.6 Å²	65.6	82%	0.824	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-68.1	-17	177.9	-65.1	-12.6	0	0	0	113.1	F346 P351	F346-N348 PolarHBondContact O-N 3.03Å; N348-P351 WeakPolarHBondContact O-CD 3.38Å
349	D	93.2	Very high	93.5	Very high	55 Å²	55	70.8 Å²	70.8	29%	0.294	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-91.5	-2	178.2	-65.7	-39.9	0	0	0	112.7	F346 N347 P351 V352 Y353	F346-D349 HydrophobicContact CB-CB 4.22Å; F346-D349 WeakPolarHBondContact CB-OD2 3.47Å; F346-D349 WeakPolarHBondContact CD1-OD2 3.42Å; F346-D349 WeakPolarHBondContact O-CB 3.42Å; F346-D349 PolarHBondContact O-N 2.83Å; N347-D349 PolarHBondContact O-N 3.34Å; D349-P351 VanDerWaalsContact C-CD 3.42Å; D349-P351 VanDerWaalsContact C-N 3.3Å; D349-V352 WeakPolarHBondContact O-CA 3.46Å; D349-V352 WeakPolarHBondContact O-CB 3.32Å; D349-V352 PolarHBondContact O-N 2.95Å; D349-Y353 HydrophobicContact CB-CD2 3.74Å; D349-Y353 HydrophobicContact CB-CE2 3.83Å; D349-Y353 WeakPolarHBondContact O-CD2 3.25Å; D349-Y353 PolarHBondContact O-N 2.85Å
350	I	92.6	Very high	93.2	Very high	64 Å²	64	72.5 Å²	72.5	33%	0.328	41%	0.414	S	S	.	.	H	α-helix	trans	-51.6	-41.6	175.3	-68.2	168.8	0	0	0	112.3	F343 N347 V352 Y353 G354	F343-I350 HydrophobicContact CB-CD1 3.97Å; F343-I350 HydrophobicContact CB-CG1 4.04Å; F343-I350 HydrophobicContact CD1-CG1 3.71Å; F343-I350 HydrophobicContact CD2-CD1 4.26Å; F343-I350 HydrophobicContact CD2-CG1 3.76Å; F343-I350 HydrophobicContact CE1-CG1 4.02Å; F343-I350 HydrophobicContact CE2-CG1 4.08Å; F343-I350 HydrophobicContact CG-CD1 4.03Å; F343-I350 HydrophobicContact CG-CG1 3.56Å; F343-I350 HydrophobicContact CZ-CG1 4.2Å; N347-I350 HydrophobicContact CB-CD1 4.4Å; N347-I350 WeakPolarHBondContact O-CB 3.38Å; N347-I350 WeakPolarHBondContact O-CD1 3.42Å; N347-I350 WeakPolarHBondContact O-CG1 3.22Å; N347-I350 PolarHBondContact O-N 3.47Å; I350-V352 PolarHBondContact O-N 3.33Å; I350-Y353 PolarHBondContact O-N 3.37Å; I350-G354 CarbonylContact O-C 3.54Å; I350-G354 VanDerWaalsContact O-CA 3.25Å; I350-G354 WeakPolarHBondContact O-CA 3.35Å; I350-G354 PolarHBondContact O-N 2.89Å
351	P	94	Very high	92.8	Very high	118 Å²	118	75.5 Å²	75.5	77%	0.766	43%	0.434	S	S	*	.	H	α-helix	trans	-60.3	-27.2	175.6	-25.1	36.3	0	0	0	114.1	N348 D349	N348-P351 WeakPolarHBondContact O-CD 3.38Å; D349-P351 VanDerWaalsContact C-CD 3.42Å; D349-P351 VanDerWaalsContact C-N 3.3Å
352	V	93.6	Very high	92.3	Very high	89 Å²	89	75.5 Å²	75.5	54%	0.539	43%	0.432	S	S	.	.	H	α-helix	trans	-83.8	-41.3	178.8	-178.2	0	0	0	0	111.2	R330 D349 I350	R330-V352 PolarHBondContact NH1-O 3.33Å; D349-V352 WeakPolarHBondContact O-CA 3.46Å; D349-V352 WeakPolarHBondContact O-CB 3.32Å; D349-V352 PolarHBondContact O-N 2.95Å; I350-V352 PolarHBondContact O-N 3.33Å
353	Y	92.3	Very high	92	Very high	30 Å²	30	74.7 Å²	74.7	12%	0.118	43%	0.428	C	S	.	.	H	α-helix	trans	-96.2	-6.3	-175.2	-66.3	-81.3	0	0	0	114	L323 V326 N327 R330 L340 D349 I350	L323-Y353 HydrophobicContact CB-CE1 4.07Å; L323-Y353 HydrophobicContact CB-CE2 4.17Å; L323-Y353 WeakPolarHBondContact CB-OH 3.43Å; L323-Y353 HydrophobicContact CD1-CE2 4.13Å; L323-Y353 HydrophobicContact CD2-CD2 4.36Å; L323-Y353 HydrophobicContact CD2-CE2 4.17Å; L323-Y353 HydrophobicContact CG-CE2 4.4Å; V326-Y353 HydrophobicContact CB-CD1 4.32Å; V326-Y353 HydrophobicContact CB-CE1 4.43Å; V326-Y353 HydrophobicContact CG1-CD1 3.96Å; V326-Y353 HydrophobicContact CG1-CE1 4.44Å; N327-Y353 PolarHBondContact ND2-OH 2.94Å; N327-Y353 WeakPolarHBondContact OD1-CE1 3.39Å; R330-Y353 PolarHBondContact NH2-O 3.32Å; L340-Y353 HydrophobicContact CD1-CD1 4.47Å; L340-Y353 HydrophobicContact CD1-CG 4.27Å; D349-Y353 HydrophobicContact CB-CD2 3.74Å; D349-Y353 HydrophobicContact CB-CE2 3.83Å; D349-Y353 WeakPolarHBondContact O-CD2 3.25Å; D349-Y353 PolarHBondContact O-N 2.85Å; I350-Y353 PolarHBondContact O-N 3.37Å
354	G	89.8	Confident	91.8	Very high	24 Å²	24	75.7 Å²	75.7	25%	0.247	43%	0.434	C	S	.	.			trans	69.5	179.5	-171.5	0	0	0	0	0	112.6	F343 I350	F343-G354 WeakPolarHBondContact CE2-O 3.46Å; I350-G354 CarbonylContact O-C 3.54Å; I350-G354 VanDerWaalsContact O-CA 3.25Å; I350-G354 WeakPolarHBondContact O-CA 3.35Å; I350-G354 PolarHBondContact O-N 2.89Å
355	P	89.3	Confident	91.9	Very high	114 Å²	114	69.7 Å²	69.7	74%	0.74	41%	0.408	S	S	*	.	S	Bend	trans	-63.8	155.1	177.9	28.7	-35	0	0	0	111.5
356	A	92.5	Very high	91.9	Very high	45 Å²	45	65.4 Å²	65.4	37%	0.372	39%	0.389	S	S	.	.	P	Polyproline II helix	trans	-59.8	140.7	173.2	0	0	0	0	0	111.2	L340 F343	L340-A356 WeakPolarHBondContact O-CA 3.18Å; F343-A356 HydrophobicContact CD2-CB 4.06Å; F343-A356 HydrophobicContact CE2-CB 4.19Å
357	V	94.7	Very high	91.9	Very high	60 Å²	60	67.8 Å²	67.8	36%	0.364	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-81.5	158.8	172.6	-54	0	0	0	0	110.7	A339 L340 T341	A339-V357 HydrophobicContact CB-CB 4.48Å; A339-V357 HydrophobicContact CB-CG1 4.01Å; A339-V357 HydrophobicContact CB-CG2 3.6Å; L340-V357 WeakPolarHBondContact O-CG2 2.91Å; L340-V357 PolarHBondContact O-N 3.25Å; T341-V357 WeakPolarHBondContact CA-O 2.98Å; T341-V357 HydrophobicContact CG2-CG2 4.1Å
358	A	94.3	Very high	92.2	Very high	83 Å²	83	65.8 Å²	65.8	69%	0.686	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-57.4	146	174.9	0	0	0	0	0	112
359	T	92.4	Very high	92.4	Very high	115 Å²	115	59.7 Å²	59.7	71%	0.706	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-63.2	142.6	170.1	51.1	0	0	0	0	109.8	T341	T341-T359 HydrophobicContact CG2-CG2 4.44Å
360	I	90	Very high	92.7	Very high	52 Å²	52	57.2 Å²	57.2	27%	0.267	34%	0.338	S	S	.	.			trans	-107.3	132.4	179.8	-69.9	177.6	0	0	0	108.1	F312 R314 F362 D364 F365	F312-I360 HydrophobicContact CE2-CD1 4.24Å; F312-I360 HydrophobicContact CZ-CD1 3.77Å; F312-I360 HydrophobicContact CZ-CG2 4.44Å; R314-I360 HydrophobicContact CG-CD1 4.07Å; I360-F362 PolarHBondContact O-N 3.34Å; I360-D364 HydrophobicContact CG2-CB 3.47Å; I360-D364 VanDerWaalsContact CG2-CB 3.47Å; I360-F365 HydrophobicContact CB-CE2 4.31Å; I360-F365 HydrophobicContact CG2-CD2 4.32Å; I360-F365 HydrophobicContact CG2-CE2 4.3Å
361	P	88.9	Confident	92.9	Very high	71 Å²	71	54.2 Å²	54.2	46%	0.461	32%	0.323	S	S	.	.			trans	-51.9	135.9	174.1	-27.9	36.2	0	0	0	111	Q363 D364	P361-Q363 HydrophobicContact CB-CG 3.94Å; P361-Q363 PolarHBondContact O-N 3.21Å; P361-Q363 VanDerWaalsContact O-N 3.08Å; P361-D364 WeakPolarHBondContact O-CB 3.26Å; P361-D364 PolarHBondContact O-N 2.87Å
362	F	86.6	Confident	93.2	Very high	27 Å²	27	48.8 Å²	48.8	12%	0.118	29%	0.288	C	S	.	.	H	α-helix	trans	-58.5	-31.5	-172.3	-169.8	-108.5	0	0	0	113.4	L299 I360 D364 F365 F366 L385 L386	L299-F362 HydrophobicContact CD1-CD1 4.29Å; I360-F362 PolarHBondContact O-N 3.34Å; F362-D364 PolarHBondContact O-N 2.87Å; F362-F365 HydrophobicContact CD2-CD1 4.43Å; F362-F365 HydrophobicContact CD2-CD2 4.27Å; F362-F365 HydrophobicContact CD2-CE2 4.42Å; F362-F365 HydrophobicContact CD2-CG 4.28Å; F362-F365 HydrophobicContact CE2-CD1 4.34Å; F362-F365 VanDerWaalsContact O-CB 3.28Å; F362-F365 WeakPolarHBondContact O-CB 3.44Å; F362-F365 PolarHBondContact O-N 3.19Å; F362-F365 VanDerWaalsContact O-N 3.15Å; F362-F366 AromaticContact CD1-CE2 3.98Å; F362-F366 HydrophobicContact CD1-CE2 3.98Å; F362-F366 HydrophobicContact CD1-CZ 4.45Å; F362-F366 AromaticContact CE1-CE2 3.63Å; F362-F366 HydrophobicContact CE1-CE2 3.63Å; F362-F366 AromaticContact CE1-CZ 3.67Å; F362-F366 HydrophobicContact CE1-CZ 3.67Å; F362-F366 HydrophobicContact CZ-CE2 4.32Å; F362-F366 AromaticContact CZ-CZ 4Å; F362-F366 HydrophobicContact CZ-CZ 4Å; F362-L385 HydrophobicContact CE1-CB 3.59Å; F362-L385 HydrophobicContact CE1-CD1 4.4Å; F362-L385 HydrophobicContact CZ-CB 3.54Å; F362-L385 HydrophobicContact CZ-CD1 4.44Å; F362-L386 HydrophobicContact CE2-CD2 3.89Å; F362-L386 HydrophobicContact CZ-CD2 3.81Å; F362-L386 HydrophobicContact CZ-CG 4.35Å
363	Q	86.7	Confident	93.4	Very high	89 Å²	89	44.6 Å²	44.6	42%	0.416	26%	0.262	S	S	.	.	H	α-helix	trans	-54.6	-34.2	172.4	66.2	-161.8	10.7	0	0	114.1	L299 P361 F365 F366	L299-Q363 HydrophobicContact CD1-CB 4.26Å; L299-Q363 HydrophobicContact CD2-CB 3.65Å; L299-Q363 HydrophobicContact CG-CB 4.39Å; P361-Q363 HydrophobicContact CB-CG 3.94Å; P361-Q363 PolarHBondContact O-N 3.21Å; P361-Q363 VanDerWaalsContact O-N 3.08Å; Q363-F365 VanDerWaalsContact C-N 3.26Å; Q363-F365 PolarHBondContact O-N 2.83Å; Q363-F366 PolarHBondContact O-N 3.15Å
364	D	91.3	Very high	93.7	Very high	41 Å²	41	43.2 Å²	43.2	22%	0.219	26%	0.257	C	S	.	.	H	α-helix	trans	-76.1	-17.3	-176.4	-78.7	6.3	0	0	0	112.5	I360 P361 F362 F366 K367	I360-D364 HydrophobicContact CG2-CB 3.47Å; I360-D364 VanDerWaalsContact CG2-CB 3.47Å; P361-D364 WeakPolarHBondContact O-CB 3.26Å; P361-D364 PolarHBondContact O-N 2.87Å; F362-D364 PolarHBondContact O-N 2.87Å; D364-F366 PolarHBondContact O-N 2.95Å; D364-K367 HydrophobicContact CB-CD 4.08Å; D364-K367 VanDerWaalsContact O-CB 3.3Å; D364-K367 WeakPolarHBondContact O-CB 3.44Å; D364-K367 PolarHBondContact O-N 2.89Å; D364-K367 WeakPolarHBondContact OD1-CE 3.24Å; D364-K367 IonicContact OD1-NZ 2.81Å; D364-K367 PolarHBondContact OD1-NZ 3.49Å; D364-K367 IonicContact OD2-NZ 2.89Å; D364-K367 PolarHBondContact OD2-NZ 2.98Å
365	F	93.7	Very high	94	Very high	12 Å²	12	42.1 Å²	42.1	5%	0.053	25%	0.245	C	C	.	.	H	α-helix	trans	-57.5	-40.3	170.6	-76.2	-127	0	0	0	109.5	F312 R314 I360 F362 Q363 K367 Y368 Q371 L386	F312-F365 HydrophobicContact CD1-CB 4.29Å; F312-F365 AromaticContact CD1-CD1 3.84Å; F312-F365 HydrophobicContact CD1-CD1 3.84Å; F312-F365 HydrophobicContact CD1-CE1 4.28Å; F312-F365 AromaticContact CD1-CG 3.97Å; F312-F365 HydrophobicContact CD1-CG 3.97Å; F312-F365 HydrophobicContact CE1-CB 4.28Å; F312-F365 AromaticContact CE1-CD1 3.72Å; F312-F365 HydrophobicContact CE1-CD1 3.72Å; F312-F365 AromaticContact CE1-CD2 3.73Å; F312-F365 HydrophobicContact CE1-CD2 3.73Å; F312-F365 AromaticContact CE1-CE1 3.91Å; F312-F365 HydrophobicContact CE1-CE1 3.91Å; F312-F365 AromaticContact CE1-CE2 3.91Å; F312-F365 HydrophobicContact CE1-CE2 3.91Å; F312-F365 AromaticContact CE1-CG 3.63Å; F312-F365 HydrophobicContact CE1-CG 3.63Å; F312-F365 HydrophobicContact CE1-CZ 4.01Å; R314-F365 HydrophobicContact CB-CE1 4.48Å; R314-F365 HydrophobicContact CB-CE2 4.49Å; R314-F365 HydrophobicContact CB-CZ 3.82Å; R314-F365 HydrophobicContact CG-CZ 4.43Å; I360-F365 HydrophobicContact CB-CE2 4.31Å; I360-F365 HydrophobicContact CG2-CD2 4.32Å; I360-F365 HydrophobicContact CG2-CE2 4.3Å; F362-F365 HydrophobicContact CD2-CD1 4.43Å; F362-F365 HydrophobicContact CD2-CD2 4.27Å; F362-F365 HydrophobicContact CD2-CE2 4.42Å; F362-F365 HydrophobicContact CD2-CG 4.28Å; F362-F365 HydrophobicContact CE2-CD1 4.34Å; F362-F365 VanDerWaalsContact O-CB 3.28Å; F362-F365 WeakPolarHBondContact O-CB 3.44Å; F362-F365 PolarHBondContact O-N 3.19Å; F362-F365 VanDerWaalsContact O-N 3.15Å; Q363-F365 VanDerWaalsContact C-N 3.26Å; Q363-F365 PolarHBondContact O-N 2.83Å; F365-K367 PolarHBondContact O-N 3.32Å; F365-K367 VanDerWaalsContact O-N 3.1Å; F365-Y368 PolarHBondContact O-N 3.01Å; F365-Y368 VanDerWaalsContact O-N 3.11Å; F365-Q371 PolarHBondContact O-NE2 3.08Å; F365-L386 HydrophobicContact CD1-CD2 4.35Å
366	F	93	Very high	94.3	Very high	2 Å²	2	37 Å²	37	1%	0.009	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	4.1	-179.1	-55.1	-61.2	0	0	0	114	V296 L299 K307 F362 Q363 D364 Y368 G389	V296-F366 HydrophobicContact CG1-CE2 4.3Å; V296-F366 HydrophobicContact CG1-CZ 4.31Å; L299-F366 HydrophobicContact CB-CD2 3.6Å; L299-F366 HydrophobicContact CB-CE2 4.03Å; L299-F366 HydrophobicContact CD1-CD2 4.09Å; L299-F366 HydrophobicContact CD1-CE2 3.81Å; L299-F366 HydrophobicContact CG-CD2 4.5Å; K307-F366 WeakPolarHBondContact CD-O 3.45Å; K307-F366 WeakPolarHBondContact CE-O 3.1Å; K307-F366 PolarHBondContact NZ-O 3.3Å; F362-F366 AromaticContact CD1-CE2 3.98Å; F362-F366 HydrophobicContact CD1-CE2 3.98Å; F362-F366 HydrophobicContact CD1-CZ 4.45Å; F362-F366 AromaticContact CE1-CE2 3.63Å; F362-F366 HydrophobicContact CE1-CE2 3.63Å; F362-F366 AromaticContact CE1-CZ 3.67Å; F362-F366 HydrophobicContact CE1-CZ 3.67Å; F362-F366 HydrophobicContact CZ-CE2 4.32Å; F362-F366 AromaticContact CZ-CZ 4Å; F362-F366 HydrophobicContact CZ-CZ 4Å; Q363-F366 PolarHBondContact O-N 3.15Å; D364-F366 PolarHBondContact O-N 2.95Å; F366-Y368 PolarHBondContact O-N 3.35Å; F366-G389 VanDerWaalsContact CE1-CA 3.47Å
367	K	95.1	Very high	94.4	Very high	94 Å²	94	35.4 Å²	35.4	41%	0.409	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-13.5	164.1	-64.6	170.6	174.6	170.1	0	112.5	K307 T308 D364 F365	K307-K367 CarbonylContact C-O 3.39Å; K307-K367 WeakPolarHBondContact CA-O 3.46Å; K307-K367 WeakPolarHBondContact CB-O 3.3Å; T308-K367 PolarHBondContact N-O 3.5Å; D364-K367 HydrophobicContact CB-CD 4.08Å; D364-K367 VanDerWaalsContact O-CB 3.3Å; D364-K367 WeakPolarHBondContact O-CB 3.44Å; D364-K367 PolarHBondContact O-N 2.89Å; D364-K367 WeakPolarHBondContact OD1-CE 3.24Å; D364-K367 IonicContact OD1-NZ 2.81Å; D364-K367 PolarHBondContact OD1-NZ 3.49Å; D364-K367 IonicContact OD2-NZ 2.89Å; D364-K367 PolarHBondContact OD2-NZ 2.98Å; F365-K367 PolarHBondContact O-N 3.32Å; F365-K367 VanDerWaalsContact O-N 3.1Å
368	Y	98.1	Very high	94.4	Very high	42 Å²	42	32.8 Å²	32.8	17%	0.165	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	141.2	-175.9	-61.4	-102	0	0	0	112.3	T308 K310 F312 D337 F365 F366 Y370 Q371 S391	T308-Y368 HydrophobicContact CG2-CD1 3.9Å; T308-Y368 HydrophobicContact CG2-CE1 4.07Å; K310-Y368 HydrophobicContact CB-CD1 4.24Å; F312-Y368 HydrophobicContact CB-CD1 3.83Å; F312-Y368 HydrophobicContact CB-CD2 3.89Å; F312-Y368 HydrophobicContact CB-CE1 4.38Å; F312-Y368 HydrophobicContact CB-CE2 4.47Å; F312-Y368 HydrophobicContact CB-CG 3.53Å; F312-Y368 HydrophobicContact CD1-CD2 4.25Å; F312-Y368 AromaticContact CD2-CD1 3.98Å; F312-Y368 HydrophobicContact CD2-CD1 3.98Å; F312-Y368 AromaticContact CD2-CD2 3.7Å; F312-Y368 HydrophobicContact CD2-CD2 3.7Å; F312-Y368 AromaticContact CD2-CE1 3.67Å; F312-Y368 HydrophobicContact CD2-CE1 3.67Å; F312-Y368 AromaticContact CD2-CE2 3.41Å; F312-Y368 HydrophobicContact CD2-CE2 3.41Å; F312-Y368 VanDerWaalsContact CD2-CE2 3.41Å; F312-Y368 AromaticContact CD2-CG 3.97Å; F312-Y368 HydrophobicContact CD2-CG 3.97Å; F312-Y368 AromaticContact CD2-CZ 3.36Å; F312-Y368 HydrophobicContact CE2-CD2 4.23Å; F312-Y368 HydrophobicContact CE2-CE1 4.36Å; F312-Y368 AromaticContact CE2-CE2 3.58Å; F312-Y368 HydrophobicContact CE2-CE2 3.58Å; F312-Y368 AromaticContact CE2-CZ 3.63Å; F312-Y368 HydrophobicContact CG-CD1 4.21Å; F312-Y368 AromaticContact CG-CD2 3.68Å; F312-Y368 HydrophobicContact CG-CD2 3.68Å; F312-Y368 HydrophobicContact CG-CE1 4.36Å; F312-Y368 AromaticContact CG-CE2 3.89Å; F312-Y368 HydrophobicContact CG-CE2 3.89Å; F312-Y368 AromaticContact CG-CG 3.85Å; F312-Y368 HydrophobicContact CG-CG 3.85Å; F312-Y368 HydrophobicContact CZ-CE2 4.21Å; D337-Y368 HydrophobicContact CB-CE1 4.22Å; D337-Y368 PolarHBondContact OD2-OH 3.48Å; F365-Y368 PolarHBondContact O-N 3.01Å; F365-Y368 VanDerWaalsContact O-N 3.11Å; F366-Y368 PolarHBondContact O-N 3.35Å; Y368-Y370 PolarHBondContact O-N 3.03Å; Y368-Q371 PolarHBondContact O-NE2 2.91Å; Y368-S391 WeakPolarHBondContact O-CB 3.47Å; Y368-S391 PolarHBondContact O-OG 3.24Å
369	K	98.5	Very high	94.5	Very high	27 Å²	27	29 Å²	29	12%	0.117	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	-32.3	-175	-74.2	-171.1	-172.9	-165.2	0	114.4	W304 K307 T308 S391 L392	W304-K369 HydrophobicContact CD2-CD 4.43Å; W304-K369 HydrophobicContact CH2-CD 4Å; W304-K369 HydrophobicContact CZ2-CB 4.46Å; W304-K369 HydrophobicContact CZ2-CD 3.84Å; W304-K369 HydrophobicContact CZ2-CG 4.35Å; W304-K369 HydrophobicContact CZ3-CD 4.37Å; W304-K369 WeakPolarHBondContact O-CE 3.28Å; K307-K369 HydrophobicContact CB-CG 3.55Å; K307-K369 HydrophobicContact CD-CG 4.48Å; K307-K369 WeakPolarHBondContact O-CE 3.47Å; T308-K369 PolarHBondContact O-N 2.96Å; K369-S391 WeakPolarHBondContact O-CB 3.29Å; K369-L392 PolarHBondContact O-N 3.06Å
370	Y	98.7	Very high	94.7	Very high	2 Å²	2	24 Å²	24	1%	0.008	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	125.6	-172.6	-37.5	-75	0	0	0	110.2	W304 K310 A311 F312 Y368 L392 A431 K432	W304-Y370 HydrophobicContact CZ2-CE1 4.23Å; K310-Y370 PolarHBondContact O-N 2.99Å; A311-Y370 CarbonylContact C-O 3.46Å; A311-Y370 WeakPolarHBondContact CA-O 3.34Å; F312-Y370 PolarHBondContact N-O 2.86Å; Y368-Y370 PolarHBondContact O-N 3.03Å; Y370-L392 CarbonylContact C-O 3.5Å; Y370-L392 WeakPolarHBondContact CA-O 3.44Å; Y370-L392 HydrophobicContact CD1-CB 3.93Å; Y370-L392 HydrophobicContact CD1-CD2 3.84Å; Y370-L392 HydrophobicContact CE1-CD2 4.34Å; Y370-A431 HydrophobicContact CD1-CB 3.7Å; Y370-A431 HydrophobicContact CE1-CB 3.44Å; Y370-A431 VanDerWaalsContact CE1-CB 3.44Å; Y370-K432 HydrophobicContact CE2-CD 4.37Å; Y370-K432 HydrophobicContact CE2-CG 3.67Å; Y370-K432 WeakPolarHBondContact OH-CA 3.43Å; Y370-K432 WeakPolarHBondContact OH-CG 3.37Å
371	Q	98.6	Very high	94.9	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.009	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	120.2	176.8	-59.3	-55.6	-53.6	0	0	108.5	F365 Y368 L386 L392 L394	F365-Q371 PolarHBondContact O-NE2 3.08Å; Y368-Q371 PolarHBondContact O-NE2 2.91Å; Q371-L386 HydrophobicContact CB-CD2 4.16Å; Q371-L386 HydrophobicContact CG-CD2 4.19Å; Q371-L392 PolarHBondContact N-O 3.3Å; Q371-L394 PolarHBondContact O-N 3.47Å
372	V	98.8	Very high	95.1	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.018	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	131.5	172.7	-167.6	0	0	0	0	108	A311 F312 W313 L325 L336 V374 L394 F417 L424	A311-V372 HydrophobicContact CB-CG2 3.93Å; F312-V372 PolarHBondContact O-N 2.99Å; F312-V372 VanDerWaalsContact O-N 3.07Å; W313-V372 HydrophobicContact CB-CB 4.34Å; W313-V372 VanDerWaalsContact CD1-O 3.26Å; L325-V372 HydrophobicContact CD1-CG1 4.09Å; L325-V372 HydrophobicContact CD2-CG1 4.44Å; L336-V372 HydrophobicContact CD1-CG2 3.81Å; V372-V374 HydrophobicContact CG1-CG2 3.8Å; V372-L394 CarbonylContact C-O 3.51Å; V372-L394 HydrophobicContact CG2-CD1 4.23Å; V372-F417 HydrophobicContact CG1-CE1 3.75Å; V372-F417 HydrophobicContact CG1-CZ 3.64Å; V372-L424 HydrophobicContact CG1-CD1 4.15Å; V372-L424 HydrophobicContact CG1-CD2 4.4Å; V372-L424 HydrophobicContact CG2-CD1 4.39Å
373	N	98.5	Very high	95.5	Very high	2 Å²	2	21.3 Å²	21.3	1%	0.011	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	95.8	172.6	-172	77.6	0	0	0	108.8	L383 L386 V393 L394 Q396	N373-L383 HydrophobicContact CB-CD1 4.29Å; N373-L386 HydrophobicContact CB-CD1 4.04Å; N373-L386 WeakPolarHBondContact OD1-CD1 3.49Å; N373-V393 HydrophobicContact CB-CG1 4.14Å; N373-L394 PolarHBondContact N-O 3.33Å; N373-Q396 PolarHBondContact O-N 2.98Å
374	V	98.2	Very high	95.9	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.006	8%	0.079	C	C	.	.			trans	-98.6	132.4	171.3	-179.4	0	0	0	0	107.8	E321 R322 L325 V372 Q396 F417	E321-V374 HydrophobicContact CB-CG1 4.18Å; R322-V374 HydrophobicContact CG-CB 4.34Å; R322-V374 HydrophobicContact CG-CG1 3.76Å; R322-V374 PolarHBondContact NH2-O 3.46Å; L325-V374 HydrophobicContact CD1-CG2 4.48Å; L325-V374 HydrophobicContact CD2-CG2 3.87Å; V372-V374 HydrophobicContact CG1-CG2 3.8Å; V374-Q396 VanDerWaalsContact CG1-OE1 3.27Å; V374-F417 HydrophobicContact CG2-CE2 4.38Å; V374-F417 HydrophobicContact CG2-CZ 3.91Å
375	D	97.1	Very high	95.9	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.069	C	C	.	.			trans	-59.3	163.6	177.2	-85.7	1.5	0	0	0	111.1	R319 R322 V378 A379 A380 S398	R319-D375 VanDerWaalsContact CD-C 3.47Å; R319-D375 WeakPolarHBondContact CD-O 2.87Å; R322-D375 PolarHBondContact NE-O 2.86Å; R322-D375 PolarHBondContact NH2-O 2.97Å; D375-V378 WeakPolarHBondContact CB-O 3.22Å; D375-A379 WeakPolarHBondContact OD1-CA 3.26Å; D375-A380 PolarHBondContact OD1-N 3.48Å; D375-S398 WeakPolarHBondContact OD2-CB 3.33Å; D375-S398 PolarHBondContact OD2-OG 3.16Å
376	G	95.1	Very high	96	Very high	6 Å²	6	14.7 Å²	14.7	6%	0.062	7%	0.067	C	C	.	.			trans	-106	-129.9	174.8	0	0	0	0	0	110.3	S318 R319 R322 V378	S318-G376 WeakPolarHBondContact OG-CA 3.29Å; R319-G376 WeakPolarHBondContact CD-O 3.24Å; R322-G376 VanDerWaalsContact CZ-CA 3.47Å; G376-V378 PolarHBondContact N-O 2.91Å; G376-V378 PolarHBondContact O-N 3.35Å
377	T	93.6	Very high	96.2	Very high	12 Å²	12	14.8 Å²	14.8	7%	0.074	7%	0.067	C	C	.	.	S	Bend	trans	-51.3	-47.6	163.4	-50.8	0	0	0	0	110	D243 W244 R316 S318	D243-T377 HydrophobicContact CB-CG2 4.28Å; W244-T377 HydrophobicContact CD2-CG2 4.06Å; W244-T377 HydrophobicContact CH2-CG2 4.15Å; W244-T377 WeakPolarHBondContact CH2-O 3.29Å; W244-T377 HydrophobicContact CZ2-CG2 3.3Å; W244-T377 WeakPolarHBondContact CZ3-O 3.19Å; R316-T377 PolarHBondContact NH2-OG1 3.22Å; S318-T377 PolarHBondContact OG-N 3.38Å
378	V	95.6	Very high	96.1	Very high	5 Å²	5	10.5 Å²	10.5	3%	0.03	5%	0.049	C	C	.	.	S	Bend	trans	-134.5	-157.9	171.9	-62.1	0	0	0	0	110.4	D243 W244 C263 D375 G376 A380 Y381 Y400	D243-V378 HydrophobicContact CB-CG1 4.23Å; D243-V378 HydrophobicContact CB-CG2 3.85Å; D243-V378 VanDerWaalsContact O-CG1 3.29Å; D243-V378 WeakPolarHBondContact O-CG1 3.47Å; W244-V378 HydrophobicContact CD2-CG1 4.12Å; W244-V378 HydrophobicContact CE3-CG1 3.88Å; W244-V378 HydrophobicContact CG-CG1 4.49Å; W244-V378 HydrophobicContact CZ3-CG1 4.4Å; C263-V378 HydrophobicContact CB-CB 4.45Å; C263-V378 HydrophobicContact CB-CG2 4.24Å; D375-V378 WeakPolarHBondContact CB-O 3.22Å; G376-V378 PolarHBondContact N-O 2.91Å; G376-V378 PolarHBondContact O-N 3.35Å; V378-A380 PolarHBondContact O-N 3Å; V378-Y381 HydrophobicContact CG2-CE1 4.27Å; V378-Y400 HydrophobicContact CB-CD1 3.92Å; V378-Y400 HydrophobicContact CB-CE1 4.47Å; V378-Y400 HydrophobicContact CB-CG 4.04Å; V378-Y400 HydrophobicContact CG1-CD1 3.88Å; V378-Y400 HydrophobicContact CG1-CE1 3.96Å; V378-Y400 HydrophobicContact CG1-CG 4.41Å
379	A	97	Very high	95.9	Very high	5 Å²	5	8.5 Å²	8.5	4%	0.041	4%	0.042	C	C	.	.	S	Bend	trans	-47.2	133.6	173.7	0	0	0	0	0	111.5	D375 Y381 Y400 E402 Y405	D375-A379 WeakPolarHBondContact OD1-CA 3.26Å; A379-Y381 HydrophobicContact CB-CD1 4.4Å; A379-Y381 HydrophobicContact CB-CE1 4.2Å; A379-Y381 VanDerWaalsContact O-CD1 3.26Å; A379-Y381 WeakPolarHBondContact O-CD1 3.34Å; A379-Y381 PolarHBondContact O-N 3.05Å; A379-Y381 VanDerWaalsContact O-N 3.09Å; A379-Y400 VanDerWaalsContact N-CB 3.3Å; A379-E402 HydrophobicContact CB-CG 4.19Å; A379-Y405 HydrophobicContact CB-CE2 3.97Å
380	A	95.8	Very high	95.6	Very high	8 Å²	8	8.2 Å²	8.2	7%	0.066	4%	0.041	C	C	.	.			trans	-75.8	98.6	176.9	0	0	0	0	0	111.6	D375 V378 R382 L383 Y405	D375-A380 PolarHBondContact OD1-N 3.48Å; V378-A380 PolarHBondContact O-N 3Å; A380-R382 HydrophobicContact CB-CG 4.39Å; A380-R382 PolarHBondContact O-N 3.26Å; A380-L383 PolarHBondContact O-N 2.92Å; A380-Y405 PolarHBondContact O-OH 2.96Å
381	Y	94.1	Very high	95.6	Very high	18 Å²	18	8.2 Å²	8.2	7%	0.071	4%	0.042	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-2.9	-176.3	-58.1	-20.7	0	0	0	116.6	W262 C263 Y276 V378 A379 L383 E402	W262-Y381 WeakPolarHBondContact CB-OH 3.39Å; C263-Y381 HydrophobicContact CB-CE1 4.21Å; C263-Y381 WeakPolarHBondContact CB-OH 3.41Å; Y276-Y381 HydrophobicContact CD1-CD2 4.42Å; Y276-Y381 HydrophobicContact CD1-CE2 4.09Å; Y276-Y381 AromaticContact CE1-CD2 3.78Å; Y276-Y381 HydrophobicContact CE1-CD2 3.78Å; Y276-Y381 AromaticContact CE1-CE2 3.47Å; Y276-Y381 HydrophobicContact CE1-CE2 3.47Å; Y276-Y381 VanDerWaalsContact CE1-CE2 3.47Å; Y276-Y381 HydrophobicContact CE2-CD2 4.32Å; Y276-Y381 AromaticContact CZ-CD2 3.7Å; Y276-Y381 AromaticContact CZ-CE2 3.86Å; V378-Y381 HydrophobicContact CG2-CE1 4.27Å; A379-Y381 HydrophobicContact CB-CD1 4.4Å; A379-Y381 HydrophobicContact CB-CE1 4.2Å; A379-Y381 VanDerWaalsContact O-CD1 3.26Å; A379-Y381 WeakPolarHBondContact O-CD1 3.34Å; A379-Y381 PolarHBondContact O-N 3.05Å; A379-Y381 VanDerWaalsContact O-N 3.09Å; Y381-L383 VanDerWaalsContact C-N 3.3Å; Y381-E402 WeakPolarHBondContact CA-OE1 3.36Å; Y381-E402 VanDerWaalsContact CD1-CD 3.42Å; Y381-E402 HydrophobicContact CD1-CG 3.65Å; Y381-E402 HydrophobicContact CE1-CG 3.83Å
382	R	92.7	Very high	95.6	Very high	77 Å²	77	8.1 Å²	8.1	29%	0.291	4%	0.041	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-6.7	171.1	68.2	178.1	62.6	173.6	-1.2	113.7	R314 A380 T384 L385 L386	R314-R382 PolarHBondContact O-NH1 3.32Å; A380-R382 HydrophobicContact CB-CG 4.39Å; A380-R382 PolarHBondContact O-N 3.26Å; R382-T384 VanDerWaalsContact C-N 3.29Å; R382-T384 PolarHBondContact O-N 2.93Å; R382-L385 WeakPolarHBondContact O-CB 3.26Å; R382-L385 PolarHBondContact O-N 3.31Å; R382-L385 VanDerWaalsContact O-N 3.08Å; R382-L386 HydrophobicContact CG-CD1 4.01Å; R382-L386 HydrophobicContact CG-CG 4.3Å; R382-L386 PolarHBondContact O-N 3.22Å
383	L	96	Very high	95.6	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-59.5	-39.1	-170.6	175.7	64.6	0	0	0	112	N373 A380 Y381 L385 L386 L387 V393 K395 Y404 Y405 L408	N373-L383 HydrophobicContact CB-CD1 4.29Å; A380-L383 PolarHBondContact O-N 2.92Å; Y381-L383 VanDerWaalsContact C-N 3.3Å; L383-L385 VanDerWaalsContact C-N 3.3Å; L383-L385 PolarHBondContact O-N 3.5Å; L383-L386 PolarHBondContact O-N 3.26Å; L383-L387 HydrophobicContact CD1-CD1 4.08Å; L383-L387 HydrophobicContact CD1-CD2 4.47Å; L383-L387 HydrophobicContact CD1-CG 3.96Å; L383-L387 HydrophobicContact CD2-CD1 4.45Å; L383-L387 HydrophobicContact CG-CD1 3.88Å; L383-L387 HydrophobicContact CG-CG 4.24Å; L383-L387 WeakPolarHBondContact O-CB 3.12Å; L383-L387 VanDerWaalsContact O-CG 3.3Å; L383-L387 WeakPolarHBondContact O-CG 3.21Å; L383-L387 PolarHBondContact O-N 3.36Å; L383-V393 HydrophobicContact CD1-CG1 3.72Å; L383-K395 HydrophobicContact CD2-CD 3.94Å; L383-Y404 VanDerWaalsContact CB-OH 3.32Å; L383-Y404 WeakPolarHBondContact CB-OH 3.49Å; L383-Y404 HydrophobicContact CD2-CE2 4.38Å; L383-Y405 HydrophobicContact CB-CE1 4.37Å; L383-Y405 HydrophobicContact CD2-CD1 4.16Å; L383-Y405 HydrophobicContact CD2-CE1 3.53Å; L383-Y405 HydrophobicContact CD2-CE2 4.02Å; L383-Y405 VanDerWaalsContact CD2-CZ 3.43Å; L383-Y405 HydrophobicContact CG-CE1 4.46Å; L383-L408 HydrophobicContact CD2-CD1 4Å
384	T	94	Very high	95.6	Very high	1 Å²	1	8.1 Å²	8.1	1%	0.006	4%	0.041	C	C	.	.	H	α-helix	trans	-54.3	-46.7	174.4	52.4	0	0	0	0	111.7	V278 R382 L387 A388 Y404 L449 V453	V278-T384 HydrophobicContact CG2-CG2 3.88Å; R382-T384 VanDerWaalsContact C-N 3.29Å; R382-T384 PolarHBondContact O-N 2.93Å; T384-L387 PolarHBondContact O-N 3.1Å; T384-A388 WeakPolarHBondContact O-CB 3.22Å; T384-A388 PolarHBondContact O-N 2.86Å; T384-Y404 HydrophobicContact CG2-CD1 4.18Å; T384-Y404 HydrophobicContact CG2-CE1 3.33Å; T384-Y404 HydrophobicContact CG2-CE2 4.07Å; T384-Y404 WeakPolarHBondContact CG2-OH 3.36Å; T384-Y404 PolarHBondContact N-OH 3.48Å; T384-L449 WeakPolarHBondContact O-CD1 3.4Å; T384-V453 HydrophobicContact CG2-CG1 3.87Å
385	L	92.8	Very high	95.6	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-68.6	-38.7	-180	-57.8	171.2	0	0	0	112.1	Q291 V296 F362 R382 L383 A388 G389	Q291-L385 HydrophobicContact CB-CD1 3.95Å; Q291-L385 HydrophobicContact CB-CD2 4.17Å; Q291-L385 HydrophobicContact CG-CD1 3.68Å; V296-L385 HydrophobicContact CG2-CD2 3.74Å; F362-L385 HydrophobicContact CE1-CB 3.59Å; F362-L385 HydrophobicContact CE1-CD1 4.4Å; F362-L385 HydrophobicContact CZ-CB 3.54Å; F362-L385 HydrophobicContact CZ-CD1 4.44Å; R382-L385 WeakPolarHBondContact O-CB 3.26Å; R382-L385 PolarHBondContact O-N 3.31Å; R382-L385 VanDerWaalsContact O-N 3.08Å; L383-L385 VanDerWaalsContact C-N 3.3Å; L383-L385 PolarHBondContact O-N 3.5Å; L385-A388 PolarHBondContact O-N 3.08Å; L385-G389 PolarHBondContact O-N 2.88Å
386	L	95.5	Very high	95.7	Very high	2 Å²	2	8.6 Å²	8.6	1%	0.01	4%	0.043	C	C	.	.	H	α-helix	trans	-64.2	-43.1	175.4	-67.5	178.9	0	0	0	111.6	F362 F365 Q371 N373 R382 L383 A388 G389 V393	F362-L386 HydrophobicContact CE2-CD2 3.89Å; F362-L386 HydrophobicContact CZ-CD2 3.81Å; F362-L386 HydrophobicContact CZ-CG 4.35Å; F365-L386 HydrophobicContact CD1-CD2 4.35Å; Q371-L386 HydrophobicContact CB-CD2 4.16Å; Q371-L386 HydrophobicContact CG-CD2 4.19Å; N373-L386 HydrophobicContact CB-CD1 4.04Å; N373-L386 WeakPolarHBondContact OD1-CD1 3.49Å; R382-L386 HydrophobicContact CG-CD1 4.01Å; R382-L386 HydrophobicContact CG-CG 4.3Å; R382-L386 PolarHBondContact O-N 3.22Å; L383-L386 PolarHBondContact O-N 3.26Å; L386-A388 VanDerWaalsContact C-N 3.29Å; L386-A388 PolarHBondContact O-N 2.9Å; L386-G389 PolarHBondContact O-N 3Å; L386-V393 HydrophobicContact CB-CG2 3.86Å
387	L	96.2	Very high	95.8	Very high	4 Å²	4	12.6 Å²	12.6	2%	0.021	6%	0.063	C	C	.	.	H	α-helix	trans	-66.1	-31.4	176.5	-70.3	171	0	0	0	112	L383 T384 G389 V393 Y404 L408 A445 H446 L449	L383-L387 HydrophobicContact CD1-CD1 4.08Å; L383-L387 HydrophobicContact CD1-CD2 4.47Å; L383-L387 HydrophobicContact CD1-CG 3.96Å; L383-L387 HydrophobicContact CD2-CD1 4.45Å; L383-L387 HydrophobicContact CG-CD1 3.88Å; L383-L387 HydrophobicContact CG-CG 4.24Å; L383-L387 WeakPolarHBondContact O-CB 3.12Å; L383-L387 VanDerWaalsContact O-CG 3.3Å; L383-L387 WeakPolarHBondContact O-CG 3.21Å; L383-L387 PolarHBondContact O-N 3.36Å; T384-L387 PolarHBondContact O-N 3.1Å; L387-G389 VanDerWaalsContact C-N 3.32Å; L387-G389 PolarHBondContact O-N 3.27Å; L387-V393 HydrophobicContact CD2-CB 3.93Å; L387-V393 HydrophobicContact CD2-CG1 4.42Å; L387-V393 HydrophobicContact CD2-CG2 3.77Å; L387-V393 HydrophobicContact CG-CG2 4.22Å; L387-Y404 HydrophobicContact CD1-CE2 4.33Å; L387-L408 HydrophobicContact CD1-CD1 4.05Å; L387-L408 HydrophobicContact CD1-CD2 4.09Å; L387-A445 HydrophobicContact CB-CB 4.47Å; L387-A445 HydrophobicContact CD2-CB 3.96Å; L387-H446 PolarHBondContact O-CD2 3.46Å; L387-H446 PolarHBondContact O-NE2 2.91Å; L387-L449 HydrophobicContact CB-CD1 3.73Å; L387-L449 HydrophobicContact CB-CD2 4.45Å; L387-L449 HydrophobicContact CB-CG 4.28Å; L387-L449 HydrophobicContact CD1-CD2 4.44Å
388	A	93.4	Very high	95.8	Very high	4 Å²	4	13 Å²	13	3%	0.033	7%	0.067	C	C	.	.	H	α-helix	trans	-73.4	-20.3	177.9	0	0	0	0	0	113.7	L293 V296 R300 T384 L385 L386 L449	L293-A388 HydrophobicContact CD2-CB 3.88Å; V296-A388 HydrophobicContact CB-CB 4.19Å; V296-A388 HydrophobicContact CG1-CB 3.66Å; R300-A388 VanDerWaalsContact CZ-O 3.29Å; R300-A388 PolarHBondContact NE-O 2.93Å; R300-A388 PolarHBondContact NH2-O 3.08Å; T384-A388 WeakPolarHBondContact O-CB 3.22Å; T384-A388 PolarHBondContact O-N 2.86Å; L385-A388 PolarHBondContact O-N 3.08Å; L386-A388 VanDerWaalsContact C-N 3.29Å; L386-A388 PolarHBondContact O-N 2.9Å; A388-L449 HydrophobicContact CB-CD1 3.73Å
389	G	93.2	Very high	95.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	-77.2	-178.5	173.9	0	0	0	0	0	113.5	F366 L385 L386 L387 H446	F366-G389 VanDerWaalsContact CE1-CA 3.47Å; L385-G389 PolarHBondContact O-N 2.88Å; L386-G389 PolarHBondContact O-N 3Å; L387-G389 VanDerWaalsContact C-N 3.32Å; L387-G389 PolarHBondContact O-N 3.27Å; G389-H446 PolarHBondContact O-NE2 3.44Å
390	N	93.7	Very high	95.9	Very high	20 Å²	20	19.9 Å²	19.9	11%	0.107	10%	0.099	C	C	.	.	S	Bend	trans	-105.2	39.5	179.8	64.3	-24.6	0	0	0	112.4	R300 V302 K307	R300-N390 WeakPolarHBondContact CA-OD1 3.46Å; R300-N390 HydrophobicContact CB-CB 3.9Å; R300-N390 VanDerWaalsContact CB-CG 3.43Å; R300-N390 HydrophobicContact CG-CB 3.66Å; R300-N390 PolarHBondContact O-ND2 2.73Å; V302-N390 PolarHBondContact O-ND2 3.04Å; K307-N390 VanDerWaalsContact CE-CG 3.49Å; K307-N390 WeakPolarHBondContact CE-ND2 3.31Å; K307-N390 VanDerWaalsContact CE-O 3.29Å; K307-N390 WeakPolarHBondContact CE-O 3.41Å; K307-N390 VanDerWaalsContact CE-OD1 3.29Å; K307-N390 WeakPolarHBondContact CE-OD1 3.25Å; K307-N390 VanDerWaalsContact NZ-CG 3.27Å; K307-N390 PolarHBondContact NZ-O 3.04Å; K307-N390 PolarHBondContact NZ-OD1 3.48Å
391	S	97.4	Very high	96	Very high	3 Å²	3	21.3 Å²	21.3	2%	0.021	10%	0.103	C	C	.	.	S	Bend	trans	-120.4	150.9	172.4	-65.4	0	0	0	0	109.3	K307 Y368 K369 V393	K307-S391 PolarHBondContact NZ-OG 3Å; Y368-S391 WeakPolarHBondContact O-CB 3.47Å; Y368-S391 PolarHBondContact O-OG 3.24Å; K369-S391 WeakPolarHBondContact O-CB 3.29Å; S391-V393 PolarHBondContact O-N 2.94Å
392	L	98.7	Very high	96.2	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	128.7	175.6	-179.3	69.5	0	0	0	109.4	K369 Y370 Q371 L394 V415 A431 V438 I441 I442	K369-L392 PolarHBondContact O-N 3.06Å; Y370-L392 CarbonylContact C-O 3.5Å; Y370-L392 WeakPolarHBondContact CA-O 3.44Å; Y370-L392 HydrophobicContact CD1-CB 3.93Å; Y370-L392 HydrophobicContact CD1-CD2 3.84Å; Y370-L392 HydrophobicContact CE1-CD2 4.34Å; Q371-L392 PolarHBondContact N-O 3.3Å; L392-L394 HydrophobicContact CD2-CD2 4.45Å; L392-V415 HydrophobicContact CD1-CG2 4.08Å; L392-V415 HydrophobicContact CD2-CG2 4.1Å; L392-V415 HydrophobicContact CG-CG2 4.45Å; L392-A431 HydrophobicContact CD2-CB 3.53Å; L392-V438 HydrophobicContact CB-CG1 3.78Å; L392-V438 HydrophobicContact CD1-CG1 4.09Å; L392-V438 HydrophobicContact CD1-CG2 4.46Å; L392-V438 HydrophobicContact CD2-CB 4.48Å; L392-V438 HydrophobicContact CD2-CG1 4.1Å; L392-V438 HydrophobicContact CD2-CG2 3.73Å; L392-V438 HydrophobicContact CG-CG1 4.2Å; L392-I441 HydrophobicContact CD1-CB 4.04Å; L392-I441 HydrophobicContact CD1-CD1 4.41Å; L392-I441 HydrophobicContact CD1-CG2 3.67Å; L392-I442 HydrophobicContact CB-CD1 4.38Å; L392-I442 HydrophobicContact CB-CG1 4.49Å
393	V	98.8	Very high	96.4	Very high	4 Å²	4	16.8 Å²	16.8	2%	0.024	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	122.7	170.2	-178.6	0	0	0	0	110	N373 L383 L386 L387 S391 V415	N373-V393 HydrophobicContact CB-CG1 4.14Å; L383-V393 HydrophobicContact CD1-CG1 3.72Å; L386-V393 HydrophobicContact CB-CG2 3.86Å; L387-V393 HydrophobicContact CD2-CB 3.93Å; L387-V393 HydrophobicContact CD2-CG1 4.42Å; L387-V393 HydrophobicContact CD2-CG2 3.77Å; L387-V393 HydrophobicContact CG-CG2 4.22Å; S391-V393 PolarHBondContact O-N 2.94Å; V393-V415 PolarHBondContact O-N 3.18Å
394	L	98.9	Very high	96.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	116	163.4	-62.3	162.2	0	0	0	106	A311 Q371 V372 N373 L392 V415 F417 L424 K427 I428	A311-L394 HydrophobicContact CB-CD1 4.43Å; Q371-L394 PolarHBondContact O-N 3.47Å; V372-L394 CarbonylContact C-O 3.51Å; V372-L394 HydrophobicContact CG2-CD1 4.23Å; N373-L394 PolarHBondContact N-O 3.33Å; L392-L394 HydrophobicContact CD2-CD2 4.45Å; L394-V415 CarbonylContact C-O 3.59Å; L394-V415 VanDerWaalsContact CA-O 3.27Å; L394-V415 WeakPolarHBondContact CA-O 3.12Å; L394-V415 HydrophobicContact CD2-CB 3.89Å; L394-V415 HydrophobicContact CD2-CG1 3.75Å; L394-F417 HydrophobicContact CB-CD1 3.96Å; L394-F417 HydrophobicContact CB-CE1 3.98Å; L394-F417 WeakPolarHBondContact O-CE1 3.41Å; L394-L424 HydrophobicContact CD1-CD1 4.3Å; L394-K427 HydrophobicContact CD2-CB 3.91Å; L394-I428 HydrophobicContact CD1-CG1 3.69Å
395	K	98.7	Very high	96.7	Very high	11 Å²	11	17.5 Å²	17.5	5%	0.048	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	133.5	-178.7	-168.5	-165	169.2	-73.2	0	110.3	L383 Y405 Y414 V415 P416 F417	L383-K395 HydrophobicContact CD2-CD 3.94Å; K395-Y405 VanDerWaalsContact CE-CE2 3.47Å; K395-Y414 HydrophobicContact CB-CD2 3.35Å; K395-Y414 HydrophobicContact CB-CE2 3.6Å; K395-Y414 HydrophobicContact CB-CG 4.05Å; K395-Y414 HydrophobicContact CD-CD2 4.26Å; K395-Y414 HydrophobicContact CD-CE1 4.36Å; K395-Y414 HydrophobicContact CD-CE2 3.89Å; K395-Y414 HydrophobicContact CG-CD2 4.41Å; K395-Y414 HydrophobicContact CG-CE2 4.31Å; K395-V415 PolarHBondContact N-O 3.07Å; K395-P416 CarbonylContact O-C 3.46Å; K395-P416 WeakPolarHBondContact O-CA 3.48Å; K395-F417 VanDerWaalsContact C-CD1 3.47Å; K395-F417 WeakPolarHBondContact O-CD1 3.5Å; K395-F417 PolarHBondContact O-N 3.23Å
396	Q	98.2	Very high	96.8	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.005	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	134.8	170.7	-169.9	-175.7	13.5	0	0	109.8	N373 V374 S398 F417 A419	N373-Q396 PolarHBondContact O-N 2.98Å; V374-Q396 VanDerWaalsContact CG1-OE1 3.27Å; Q396-S398 PolarHBondContact O-N 3.14Å; Q396-F417 VanDerWaalsContact CA-CZ 3.45Å; Q396-F417 HydrophobicContact CB-CD2 4.41Å; Q396-F417 HydrophobicContact CB-CE1 4.29Å; Q396-F417 HydrophobicContact CB-CE2 3.59Å; Q396-F417 HydrophobicContact CB-CZ 3.52Å; Q396-F417 HydrophobicContact CG-CD2 4.49Å; Q396-F417 HydrophobicContact CG-CE2 3.79Å; Q396-F417 HydrophobicContact CG-CZ 4.24Å; Q396-F417 VanDerWaalsContact N-CZ 3.32Å; Q396-A419 PolarHBondContact NE2-O 3.37Å
397	D	96.9	Very high	96.9	Very high	89 Å²	89	21.2 Å²	21.2	48%	0.476	11%	0.108	S	C	.	.			trans	-70.2	115.2	163.4	-169.5	22.4	0	0	0	108.2	F417 A419	D397-F417 VanDerWaalsContact CB-O 3.31Å; D397-F417 WeakPolarHBondContact CB-O 3.5Å; D397-F417 PolarHBondContact N-O 3.28Å; D397-A419 WeakPolarHBondContact O-CA 2.74Å; D397-A419 WeakPolarHBondContact O-CB 3.35Å
398	S	95.3	Very high	97	Very high	22 Å²	22	21.6 Å²	21.6	15%	0.154	11%	0.11	C	C	.	.			trans	-153.1	152.6	-168.8	62.2	0	0	0	0	110.4	D375 Q396 Y400	D375-S398 WeakPolarHBondContact OD2-CB 3.33Å; D375-S398 PolarHBondContact OD2-OG 3.16Å; Q396-S398 PolarHBondContact O-N 3.14Å; S398-Y400 VanDerWaalsContact C-N 3.27Å; S398-Y400 PolarHBondContact O-N 3.04Å
399	D	95.7	Very high	97.2	Very high	106 Å²	106	26.9 Å²	26.9	57%	0.567	13%	0.134	S	C	*	.	S	Bend	trans	-71.1	-22.7	-175.8	-60.6	-26.2	0	0	0	113.1	S265 A266	S265-D399 CarbonylContact C-O 3.59Å; S265-D399 WeakPolarHBondContact CA-O 3.45Å; A266-D399 HydrophobicContact CB-CB 4.13Å; A266-D399 PolarHBondContact N-O 3.11Å; A266-D399 VanDerWaalsContact N-O 3.13Å
400	Y	97.9	Very high	97.5	Very high	47 Å²	47	32.4 Å²	32.4	18%	0.184	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	142.3	-172.6	-61.4	-73.7	0	0	0	113	W244 P245 G264 V378 A379 S398	W244-Y400 HydrophobicContact CE3-CE1 4.17Å; W244-Y400 HydrophobicContact CZ3-CE1 4.23Å; W244-Y400 HydrophobicContact CZ3-CE2 4.37Å; W244-Y400 AromaticContact CZ3-CZ 3.69Å; W244-Y400 VanDerWaalsContact CZ3-OH 3.25Å; W244-Y400 WeakPolarHBondContact CZ3-OH 3.5Å; P245-Y400 HydrophobicContact CG-CE1 4.33Å; G264-Y400 WeakPolarHBondContact O-CA 3.37Å; V378-Y400 HydrophobicContact CB-CD1 3.92Å; V378-Y400 HydrophobicContact CB-CE1 4.47Å; V378-Y400 HydrophobicContact CB-CG 4.04Å; V378-Y400 HydrophobicContact CG1-CD1 3.88Å; V378-Y400 HydrophobicContact CG1-CE1 3.96Å; V378-Y400 HydrophobicContact CG1-CG 4.41Å; A379-Y400 VanDerWaalsContact N-CB 3.3Å; S398-Y400 VanDerWaalsContact C-N 3.27Å; S398-Y400 PolarHBondContact O-N 3.04Å
401	Y	97.9	Very high	97.7	Very high	38 Å²	38	33.4 Å²	33.4	15%	0.149	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	144	-179.2	61.4	-95.4	0	0	0	114.2	C263 G264 S265 V272 Y405	C263-Y401 WeakPolarHBondContact CA-O 3.35Å; C263-Y401 PolarHBondContact SG-O 2.84Å; C263-Y401 VanDerWaalsContact SG-O 3.41Å; G264-Y401 PolarHBondContact N-O 3.18Å; G264-Y401 PolarHBondContact O-N 3.18Å; S265-Y401 VanDerWaalsContact C-CE1 3.5Å; V272-Y401 HydrophobicContact CB-CE2 4.48Å; V272-Y401 HydrophobicContact CG2-CD2 4.21Å; V272-Y401 HydrophobicContact CG2-CE2 3.57Å; Y401-Y405 VanDerWaalsContact CA-CD2 3.48Å
402	E	97.8	Very high	97.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.188	C	C	.	.			trans	-88.2	169.5	163.6	-58.5	-179.8	-105.1	0	0	110.4	S275 A379 Y381 Y404 Y405	S275-E402 VanDerWaalsContact CB-OE2 3.23Å; S275-E402 WeakPolarHBondContact CB-OE2 3.47Å; S275-E402 PolarHBondContact OG-OE2 3.07Å; A379-E402 HydrophobicContact CB-CG 4.19Å; Y381-E402 WeakPolarHBondContact CA-OE1 3.36Å; Y381-E402 VanDerWaalsContact CD1-CD 3.42Å; Y381-E402 HydrophobicContact CD1-CG 3.65Å; Y381-E402 HydrophobicContact CE1-CG 3.83Å; E402-Y404 HydrophobicContact CB-CD1 4.03Å; E402-Y404 HydrophobicContact CB-CE1 3.83Å; E402-Y404 HydrophobicContact CG-CE1 4.4Å; E402-Y404 PolarHBondContact O-N 3.48Å; E402-Y404 PolarHBondContact OE1-OH 2.84Å; E402-Y405 HydrophobicContact CB-CD1 3.64Å; E402-Y405 HydrophobicContact CB-CE1 3.6Å; E402-Y405 HydrophobicContact CB-CG 4.48Å; E402-Y405 HydrophobicContact CG-CD1 4.2Å; E402-Y405 HydrophobicContact CG-CE1 3.63Å; E402-Y405 WeakPolarHBondContact O-CB 3.34Å; E402-Y405 PolarHBondContact O-N 2.97Å; E402-Y405 VanDerWaalsContact OE1-CE1 3.25Å; E402-Y405 WeakPolarHBondContact OE1-CE1 3.39Å; E402-Y405 PolarHBondContact OE1-OH 3.39Å
403	H	97.7	Very high	97.7	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.005	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-32	-176	71.8	-70.8	0	0	0	115.7	V272 P274 I458 Y461	V272-H403 HydrophobicContact CG1-CB 4.12Å; P274-H403 WeakPolarHBondContact CA-ND1 3.18Å; H403-I458 WeakPolarHBondContact NE2-CD1 3.28Å; H403-Y461 HydrophobicContact CB-CD1 4.48Å; H403-Y461 HydrophobicContact CB-CE1 3.85Å; H403-Y461 HydrophobicContact CB-CE2 4.43Å
404	Y	97.4	Very high	97.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-11.3	-176.7	70.4	-86.4	0	0	0	114.2	L383 T384 L387 E402 R406 G407 L408 F448 V453	L383-Y404 VanDerWaalsContact CB-OH 3.32Å; L383-Y404 WeakPolarHBondContact CB-OH 3.49Å; L383-Y404 HydrophobicContact CD2-CE2 4.38Å; T384-Y404 HydrophobicContact CG2-CD1 4.18Å; T384-Y404 HydrophobicContact CG2-CE1 3.33Å; T384-Y404 HydrophobicContact CG2-CE2 4.07Å; T384-Y404 WeakPolarHBondContact CG2-OH 3.36Å; T384-Y404 PolarHBondContact N-OH 3.48Å; L387-Y404 HydrophobicContact CD1-CE2 4.33Å; E402-Y404 HydrophobicContact CB-CD1 4.03Å; E402-Y404 HydrophobicContact CB-CE1 3.83Å; E402-Y404 HydrophobicContact CG-CE1 4.4Å; E402-Y404 PolarHBondContact O-N 3.48Å; E402-Y404 PolarHBondContact OE1-OH 2.84Å; Y404-R406 VanDerWaalsContact C-N 3.33Å; Y404-R406 PolarHBondContact O-N 3.49Å; Y404-G407 PolarHBondContact O-N 2.82Å; Y404-L408 HydrophobicContact CD2-CD1 4.09Å; Y404-L408 HydrophobicContact CD2-CG 4.17Å; Y404-L408 HydrophobicContact CE2-CD1 3.86Å; Y404-L408 HydrophobicContact CE2-CG 4.41Å; Y404-F448 AromaticContact CD2-CE1 3.94Å; Y404-F448 HydrophobicContact CD2-CE1 3.94Å; Y404-V453 HydrophobicContact CD2-CG2 4.42Å; Y404-V453 HydrophobicContact CG-CG2 4.21Å
405	Y	98.1	Very high	97.7	Very high	15 Å²	15	37.7 Å²	37.7	6%	0.059	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-62.3	-39.4	-172	-86	39.2	0	0	0	112.2	A379 A380 L383 K395 Y401 E402 G407 L408	A379-Y405 HydrophobicContact CB-CE2 3.97Å; A380-Y405 PolarHBondContact O-OH 2.96Å; L383-Y405 HydrophobicContact CB-CE1 4.37Å; L383-Y405 HydrophobicContact CD2-CD1 4.16Å; L383-Y405 HydrophobicContact CD2-CE1 3.53Å; L383-Y405 HydrophobicContact CD2-CE2 4.02Å; L383-Y405 VanDerWaalsContact CD2-CZ 3.43Å; L383-Y405 HydrophobicContact CG-CE1 4.46Å; K395-Y405 VanDerWaalsContact CE-CE2 3.47Å; Y401-Y405 VanDerWaalsContact CA-CD2 3.48Å; E402-Y405 HydrophobicContact CB-CD1 3.64Å; E402-Y405 HydrophobicContact CB-CE1 3.6Å; E402-Y405 HydrophobicContact CB-CG 4.48Å; E402-Y405 HydrophobicContact CG-CD1 4.2Å; E402-Y405 HydrophobicContact CG-CE1 3.63Å; E402-Y405 WeakPolarHBondContact O-CB 3.34Å; E402-Y405 PolarHBondContact O-N 2.97Å; E402-Y405 VanDerWaalsContact OE1-CE1 3.25Å; E402-Y405 WeakPolarHBondContact OE1-CE1 3.39Å; E402-Y405 PolarHBondContact OE1-OH 3.39Å; Y405-G407 PolarHBondContact O-N 3.11Å; Y405-L408 WeakPolarHBondContact O-CB 3.39Å; Y405-L408 PolarHBondContact O-N 2.66Å
406	R	96.4	Very high	97.7	Very high	64 Å²	64	38.6 Å²	38.6	24%	0.242	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-65.1	-20.2	177.8	-69.7	-177.3	-79	-170.6	-16.4	112.9	F159 E162 D163 Y404	F159-R406 HydrophobicContact CD1-CB 3.63Å; F159-R406 HydrophobicContact CD1-CG 4.27Å; F159-R406 HydrophobicContact CD2-CB 4.03Å; F159-R406 HydrophobicContact CE1-CB 3.37Å; F159-R406 HydrophobicContact CE1-CG 4.29Å; F159-R406 HydrophobicContact CE2-CB 3.78Å; F159-R406 HydrophobicContact CG-CB 3.96Å; F159-R406 HydrophobicContact CZ-CB 3.44Å; F159-R406 VanDerWaalsContact CZ-CB 3.44Å; F159-R406 VanDerWaalsContact CZ-O 3.24Å; F159-R406 WeakPolarHBondContact CZ-O 3.37Å; F159-R406 PolarHBondContact O-NH1 2.76Å; F159-R406 PolarHBondContact O-NH2 3.15Å; E162-R406 IonicContact OE2-CZ 3.31Å; E162-R406 IonicContact OE2-NH1 3.68Å; E162-R406 PolarHBondContact OE2-NH1 2.61Å; D163-R406 IonicContact OD1-CZ 2.71Å; D163-R406 IonicContact OD1-NH1 3.41Å; D163-R406 PolarHBondContact OD1-NH1 3.37Å; D163-R406 IonicContact OD1-NH2 3.84Å; D163-R406 PolarHBondContact OD1-NH2 3.28Å; D163-R406 IonicContact OD2-NH2 3.92Å; D163-R406 PolarHBondContact OD2-NH2 3.07Å; Y404-R406 VanDerWaalsContact C-N 3.33Å; Y404-R406 PolarHBondContact O-N 3.49Å
407	G	97.2	Very high	97.7	Very high	16 Å²	16	38.8 Å²	38.8	17%	0.165	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-79.8	-15.5	170.3	0	0	0	0	0	113.9	Y404 Y405 F448	Y404-G407 PolarHBondContact O-N 2.82Å; Y405-G407 PolarHBondContact O-N 3.11Å; G407-F448 VanDerWaalsContact C-CE2 3.47Å; G407-F448 WeakPolarHBondContact O-CE2 3.25Å
408	L	98.2	Very high	97.8	Very high	13 Å²	13	40 Å²	40	7%	0.068	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-79.9	130.2	179.1	-63.3	174.1	0	0	0	111.8	L383 L387 Y404 Y405 H413 Y414 F448	L383-L408 HydrophobicContact CD2-CD1 4Å; L387-L408 HydrophobicContact CD1-CD1 4.05Å; L387-L408 HydrophobicContact CD1-CD2 4.09Å; Y404-L408 HydrophobicContact CD2-CD1 4.09Å; Y404-L408 HydrophobicContact CD2-CG 4.17Å; Y404-L408 HydrophobicContact CE2-CD1 3.86Å; Y404-L408 HydrophobicContact CE2-CG 4.41Å; Y405-L408 WeakPolarHBondContact O-CB 3.39Å; Y405-L408 PolarHBondContact O-N 2.66Å; L408-H413 HydrophobicContact CD2-CB 3.9Å; L408-Y414 HydrophobicContact CB-CD1 4.12Å; L408-Y414 HydrophobicContact CB-CE1 3.69Å; L408-Y414 HydrophobicContact CD1-CD1 4.36Å; L408-Y414 HydrophobicContact CD1-CE1 4.32Å; L408-F448 HydrophobicContact CD2-CD1 3.46Å; L408-F448 VanDerWaalsContact CD2-CD1 3.46Å; L408-F448 HydrophobicContact CD2-CD2 4.41Å; L408-F448 HydrophobicContact CD2-CE1 3.43Å; L408-F448 VanDerWaalsContact CD2-CE1 3.43Å; L408-F448 HydrophobicContact CD2-CE2 4.37Å; L408-F448 HydrophobicContact CD2-CG 3.99Å; L408-F448 HydrophobicContact CD2-CZ 3.9Å; L408-F448 HydrophobicContact CG-CE1 4.1Å; L408-F448 HydrophobicContact CG-CZ 4.26Å
409	Q	98.2	Very high	97.9	Very high	115 Å²	115	41.1 Å²	41.1	54%	0.537	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-101.6	128.4	178.7	-67.7	177.5	35.6	0	0	111.4	V412 H413	Q409-V412 HydrophobicContact CB-CB 3.79Å; Q409-V412 HydrophobicContact CB-CG2 3.91Å; Q409-V412 PolarHBondContact O-N 2.54Å; Q409-H413 PolarHBondContact N-ND1 2.7Å; Q409-H413 VanDerWaalsContact N-ND1 3.13Å; Q409-H413 PolarHBondContact O-N 3.01Å
410	Q	98.1	Very high	98	Very high	115 Å²	115	40.2 Å²	40.2	54%	0.537	21%	0.212	S	C	.	.	B	Isolated β-bridge	trans	-61.3	133.9	175.8	-67.4	-177	39.6	0	0	110.9	V412 Y414 P416	Q410-V412 PolarHBondContact O-N 2.82Å; Q410-V412 VanDerWaalsContact O-N 3.15Å; Q410-Y414 HydrophobicContact CG-CE1 4.49Å; Q410-Y414 HydrophobicContact CG-CE2 4.05Å; Q410-Y414 VanDerWaalsContact CG-OH 3.25Å; Q410-Y414 WeakPolarHBondContact CG-OH 3.45Å; Q410-P416 HydrophobicContact CB-CG 4Å; Q410-P416 HydrophobicContact CG-CB 4.15Å; Q410-P416 HydrophobicContact CG-CG 4.14Å
411	G	97.9	Very high	98	Very high	42 Å²	42	38.2 Å²	38.2	43%	0.433	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.8	-8.5	-177.2	0	0	0	0	0	114.8	Y414 I441	G411-Y414 WeakPolarHBondContact CA-O 3.47Å; G411-Y414 PolarHBondContact N-O 3.27Å; G411-I441 WeakPolarHBondContact O-CD1 3.29Å; G411-I441 WeakPolarHBondContact O-CG1 3.44Å
412	V	98.7	Very high	98.1	Very high	49 Å²	49	40 Å²	40	30%	0.297	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-49.3	177.7	-177.2	0	0	0	0	111	Q409 Q410 I441 N444	Q409-V412 HydrophobicContact CB-CB 3.79Å; Q409-V412 HydrophobicContact CB-CG2 3.91Å; Q409-V412 PolarHBondContact O-N 2.54Å; Q410-V412 PolarHBondContact O-N 2.82Å; Q410-V412 VanDerWaalsContact O-N 3.15Å; V412-I441 WeakPolarHBondContact O-CA 3.48Å; V412-N444 HydrophobicContact CG1-CB 4.27Å; V412-N444 VanDerWaalsContact O-CB 3.27Å; V412-N444 WeakPolarHBondContact O-CB 3.24Å; V412-N444 PolarHBondContact O-ND2 3.4Å
413	H	98.7	Very high	98.1	Very high	20 Å²	20	41 Å²	41	9%	0.093	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-23.3	-179.2	-54.7	144.4	0	0	0	113.1	L408 Q409 I441 A445 F448	L408-H413 HydrophobicContact CD2-CB 3.9Å; Q409-H413 PolarHBondContact N-ND1 2.7Å; Q409-H413 VanDerWaalsContact N-ND1 3.13Å; Q409-H413 PolarHBondContact O-N 3.01Å; H413-I441 VanDerWaalsContact C-CG2 3.48Å; H413-A445 HydrophobicContact CB-CB 4.43Å; H413-A445 WeakPolarHBondContact O-CB 3.42Å; H413-F448 AromaticContact CE1-CD2 3.51Å; H413-F448 AromaticContact CE1-CG 3.97Å; H413-F448 AromaticContact ND1-CD2 3.86Å
414	Y	98.8	Very high	98.1	Very high	20 Å²	20	41 Å²	41	8%	0.078	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-155.4	169.3	177.6	66.9	-88.1	0	0	0	110	K395 L408 Q410 G411 P416	K395-Y414 HydrophobicContact CB-CD2 3.35Å; K395-Y414 HydrophobicContact CB-CE2 3.6Å; K395-Y414 HydrophobicContact CB-CG 4.05Å; K395-Y414 HydrophobicContact CD-CD2 4.26Å; K395-Y414 HydrophobicContact CD-CE1 4.36Å; K395-Y414 HydrophobicContact CD-CE2 3.89Å; K395-Y414 HydrophobicContact CG-CD2 4.41Å; K395-Y414 HydrophobicContact CG-CE2 4.31Å; L408-Y414 HydrophobicContact CB-CD1 4.12Å; L408-Y414 HydrophobicContact CB-CE1 3.69Å; L408-Y414 HydrophobicContact CD1-CD1 4.36Å; L408-Y414 HydrophobicContact CD1-CE1 4.32Å; Q410-Y414 HydrophobicContact CG-CE1 4.49Å; Q410-Y414 HydrophobicContact CG-CE2 4.05Å; Q410-Y414 VanDerWaalsContact CG-OH 3.25Å; Q410-Y414 WeakPolarHBondContact CG-OH 3.45Å; G411-Y414 WeakPolarHBondContact CA-O 3.47Å; G411-Y414 PolarHBondContact N-O 3.27Å; Y414-P416 HydrophobicContact CE2-CB 4.01Å
415	V	98.8	Very high	98.2	Very high	8 Å²	8	42.7 Å²	42.7	5%	0.048	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	119.4	173.4	170.4	0	0	0	0	109.8	L392 V393 L394 K395 K427 W430 I441	L392-V415 HydrophobicContact CD1-CG2 4.08Å; L392-V415 HydrophobicContact CD2-CG2 4.1Å; L392-V415 HydrophobicContact CG-CG2 4.45Å; V393-V415 PolarHBondContact O-N 3.18Å; L394-V415 CarbonylContact C-O 3.59Å; L394-V415 VanDerWaalsContact CA-O 3.27Å; L394-V415 WeakPolarHBondContact CA-O 3.12Å; L394-V415 HydrophobicContact CD2-CB 3.89Å; L394-V415 HydrophobicContact CD2-CG1 3.75Å; K395-V415 PolarHBondContact N-O 3.07Å; V415-K427 HydrophobicContact CG1-CB 4.11Å; V415-K427 HydrophobicContact CG1-CD 4.16Å; V415-K427 HydrophobicContact CG1-CG 4.22Å; V415-W430 HydrophobicContact CG2-CE3 4.36Å; V415-W430 HydrophobicContact CG2-CH2 4.28Å; V415-W430 HydrophobicContact CG2-CZ3 3.63Å; V415-I441 HydrophobicContact CG2-CD1 3.81Å
416	P	98.6	Very high	98.2	Very high	30 Å²	30	46.7 Å²	46.7	20%	0.195	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	149.3	178.9	33.5	-38.7	0	0	0	111.9	K395 Q410 Y414	K395-P416 CarbonylContact O-C 3.46Å; K395-P416 WeakPolarHBondContact O-CA 3.48Å; Q410-P416 HydrophobicContact CB-CG 4Å; Q410-P416 HydrophobicContact CG-CB 4.15Å; Q410-P416 HydrophobicContact CG-CG 4.14Å; Y414-P416 HydrophobicContact CE2-CB 4.01Å
417	F	98.7	Very high	98.3	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.018	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	156	164	64.3	-93.3	0	0	0	110.3	V372 V374 L394 K395 Q396 D397 L421 N423 L424 K427	V372-F417 HydrophobicContact CG1-CE1 3.75Å; V372-F417 HydrophobicContact CG1-CZ 3.64Å; V374-F417 HydrophobicContact CG2-CE2 4.38Å; V374-F417 HydrophobicContact CG2-CZ 3.91Å; L394-F417 HydrophobicContact CB-CD1 3.96Å; L394-F417 HydrophobicContact CB-CE1 3.98Å; L394-F417 WeakPolarHBondContact O-CE1 3.41Å; K395-F417 VanDerWaalsContact C-CD1 3.47Å; K395-F417 WeakPolarHBondContact O-CD1 3.5Å; K395-F417 PolarHBondContact O-N 3.23Å; Q396-F417 VanDerWaalsContact CA-CZ 3.45Å; Q396-F417 HydrophobicContact CB-CD2 4.41Å; Q396-F417 HydrophobicContact CB-CE1 4.29Å; Q396-F417 HydrophobicContact CB-CE2 3.59Å; Q396-F417 HydrophobicContact CB-CZ 3.52Å; Q396-F417 HydrophobicContact CG-CD2 4.49Å; Q396-F417 HydrophobicContact CG-CE2 3.79Å; Q396-F417 HydrophobicContact CG-CZ 4.24Å; Q396-F417 VanDerWaalsContact N-CZ 3.32Å; D397-F417 VanDerWaalsContact CB-O 3.31Å; D397-F417 WeakPolarHBondContact CB-O 3.5Å; D397-F417 PolarHBondContact N-O 3.28Å; F417-L421 HydrophobicContact CD2-CG 4.43Å; F417-L421 HydrophobicContact CE2-CD1 4.04Å; F417-L421 HydrophobicContact CE2-CG 3.94Å; F417-N423 WeakPolarHBondContact CA-OD1 3.19Å; F417-N423 WeakPolarHBondContact CB-OD1 3.23Å; F417-L424 HydrophobicContact CD1-CD1 3.86Å; F417-L424 HydrophobicContact CD2-CB 4.41Å; F417-L424 HydrophobicContact CD2-CD1 4.25Å; F417-L424 HydrophobicContact CE1-CD1 4.03Å; F417-L424 HydrophobicContact CE2-CD1 4.44Å; F417-L424 HydrophobicContact CG-CD1 3.96Å; F417-L424 HydrophobicContact CZ-CD1 4.33Å; F417-K427 HydrophobicContact CB-CG 4.08Å
418	K	98.6	Very high	98.4	Very high	114 Å²	114	45.1 Å²	45.1	50%	0.496	25%	0.246	S	C	.	.			trans	-61.4	151.6	-172.9	-73.1	176.9	170.4	-173.1	0	112.6	D420 L421 S422 N423	K418-D420 VanDerWaalsContact CB-OD1 3.29Å; K418-D420 WeakPolarHBondContact CB-OD1 3.34Å; K418-D420 PolarHBondContact O-N 3.38Å; K418-D420 VanDerWaalsContact O-N 3.15Å; K418-L421 PolarHBondContact O-N 3.41Å; K418-S422 WeakPolarHBondContact CD-OG 3.29Å; K418-N423 PolarHBondContact N-OD1 3.42Å
419	A	97.5	Very high	98.4	Very high	46 Å²	46	48.9 Å²	48.9	38%	0.38	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-36.6	179.1	0	0	0	0	0	113.6	Q396 D397 L421	Q396-A419 PolarHBondContact NE2-O 3.37Å; D397-A419 WeakPolarHBondContact O-CA 2.74Å; D397-A419 WeakPolarHBondContact O-CB 3.35Å; A419-L421 VanDerWaalsContact C-N 3.35Å; A419-L421 VanDerWaalsContact O-CD1 3.24Å; A419-L421 WeakPolarHBondContact O-CD1 3.34Å
420	D	97.5	Very high	98.5	Very high	88 Å²	88	47 Å²	47	47%	0.471	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	4.8	-179.1	68.9	-5.9	0	0	0	114.5	L324 K418 S422	L324-D420 VanDerWaalsContact CD2-O 3.24Å; L324-D420 WeakPolarHBondContact CD2-O 3.25Å; K418-D420 VanDerWaalsContact CB-OD1 3.29Å; K418-D420 WeakPolarHBondContact CB-OD1 3.34Å; K418-D420 PolarHBondContact O-N 3.38Å; K418-D420 VanDerWaalsContact O-N 3.15Å; D420-S422 VanDerWaalsContact CG-OG 3.31Å; D420-S422 PolarHBondContact O-N 3.03Å; D420-S422 VanDerWaalsContact O-N 3.11Å; D420-S422 WeakPolarHBondContact OD1-CB 3.39Å; D420-S422 PolarHBondContact OD1-N 2.97Å; D420-S422 PolarHBondContact OD1-OG 2.57Å; D420-S422 PolarHBondContact OD2-OG 3Å
421	L	98.4	Very high	98.5	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.021	22%	0.224	C	C	.	.			trans	64.7	6.7	-178.7	-68.1	55	0	0	0	114.5	E321 L324 L325 I328 F417 K418 A419 N423 L424	E321-L421 HydrophobicContact CB-CD1 3.86Å; E321-L421 HydrophobicContact CG-CD1 4.17Å; E321-L421 VanDerWaalsContact O-CD2 3.3Å; E321-L421 WeakPolarHBondContact O-CD2 3.37Å; L324-L421 HydrophobicContact CB-CD2 4.4Å; L324-L421 HydrophobicContact CD2-CB 4.22Å; L324-L421 HydrophobicContact CD2-CD2 4.4Å; L324-L421 HydrophobicContact CG-CD2 4.27Å; L325-L421 HydrophobicContact CB-CD2 3.81Å; L325-L421 HydrophobicContact CD1-CD2 4.08Å; I328-L421 HydrophobicContact CD1-CB 3.76Å; I328-L421 HydrophobicContact CD1-CD2 4.07Å; F417-L421 HydrophobicContact CD2-CG 4.43Å; F417-L421 HydrophobicContact CE2-CD1 4.04Å; F417-L421 HydrophobicContact CE2-CG 3.94Å; K418-L421 PolarHBondContact O-N 3.41Å; A419-L421 VanDerWaalsContact C-N 3.35Å; A419-L421 VanDerWaalsContact O-CD1 3.24Å; A419-L421 WeakPolarHBondContact O-CD1 3.34Å; L421-N423 PolarHBondContact O-N 2.78Å; L421-N423 VanDerWaalsContact O-N 3.09Å; L421-L424 HydrophobicContact CB-CB 4.37Å; L421-L424 HydrophobicContact CG-CD2 4.49Å; L421-L424 VanDerWaalsContact O-CB 3.29Å; L421-L424 WeakPolarHBondContact O-CB 3.28Å; L421-L424 PolarHBondContact O-N 2.98Å
422	S	98.2	Very high	98.5	Very high	75 Å²	75	43.1 Å²	43.1	52%	0.524	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-29.4	-173.1	56.1	0	0	0	0	114.1	K418 D420	K418-S422 WeakPolarHBondContact CD-OG 3.29Å; D420-S422 VanDerWaalsContact CG-OG 3.31Å; D420-S422 PolarHBondContact O-N 3.03Å; D420-S422 VanDerWaalsContact O-N 3.11Å; D420-S422 WeakPolarHBondContact OD1-CB 3.39Å; D420-S422 PolarHBondContact OD1-N 2.97Å; D420-S422 PolarHBondContact OD1-OG 2.57Å; D420-S422 PolarHBondContact OD2-OG 3Å
423	N	98.5	Very high	98.5	Very high	23 Å²	23	48.6 Å²	48.6	12%	0.123	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	11.2	177.2	73.4	-14.6	0	0	0	114.3	F417 K418 L421 L425 E426 K427	F417-N423 WeakPolarHBondContact CA-OD1 3.19Å; F417-N423 WeakPolarHBondContact CB-OD1 3.23Å; K418-N423 PolarHBondContact N-OD1 3.42Å; L421-N423 PolarHBondContact O-N 2.78Å; L421-N423 VanDerWaalsContact O-N 3.09Å; N423-L425 PolarHBondContact O-N 3Å; N423-E426 HydrophobicContact CB-CB 4.47Å; N423-E426 WeakPolarHBondContact O-CB 3.46Å; N423-E426 PolarHBondContact O-N 2.99Å; N423-K427 WeakPolarHBondContact ND2-CE 3.09Å; N423-K427 WeakPolarHBondContact O-CG 3.29Å; N423-K427 PolarHBondContact O-N 3.28Å
424	L	98.8	Very high	98.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-57.7	-46.9	-178	175.5	60.8	0	0	0	111.9	L325 L336 V372 L394 F417 L421 E426 K427 I428	L325-L424 HydrophobicContact CD1-CD2 3.34Å; L336-L424 HydrophobicContact CD2-CD2 4.31Å; V372-L424 HydrophobicContact CG1-CD1 4.15Å; V372-L424 HydrophobicContact CG1-CD2 4.4Å; V372-L424 HydrophobicContact CG2-CD1 4.39Å; L394-L424 HydrophobicContact CD1-CD1 4.3Å; F417-L424 HydrophobicContact CD1-CD1 3.86Å; F417-L424 HydrophobicContact CD2-CB 4.41Å; F417-L424 HydrophobicContact CD2-CD1 4.25Å; F417-L424 HydrophobicContact CE1-CD1 4.03Å; F417-L424 HydrophobicContact CE2-CD1 4.44Å; F417-L424 HydrophobicContact CG-CD1 3.96Å; F417-L424 HydrophobicContact CZ-CD1 4.33Å; L421-L424 HydrophobicContact CB-CB 4.37Å; L421-L424 HydrophobicContact CG-CD2 4.49Å; L421-L424 VanDerWaalsContact O-CB 3.29Å; L421-L424 WeakPolarHBondContact O-CB 3.28Å; L421-L424 PolarHBondContact O-N 2.98Å; L424-E426 VanDerWaalsContact C-N 3.31Å; L424-E426 PolarHBondContact O-N 3.09Å; L424-K427 PolarHBondContact O-N 3.43Å; L424-K427 VanDerWaalsContact O-N 3.13Å; L424-I428 HydrophobicContact CD1-CD1 4.21Å; L424-I428 HydrophobicContact CD1-CG1 4.37Å; L424-I428 HydrophobicContact CG-CD1 4.04Å; L424-I428 WeakPolarHBondContact O-CG1 3.48Å; L424-I428 PolarHBondContact O-N 3.49Å
425	L	98.7	Very high	98.4	Very high	35 Å²	35	51 Å²	51	18%	0.183	25%	0.253	C	S	.	.	H	α-helix	trans	-63	-37	179.3	-65.8	179.3	0	0	0	112.5	I328 H332 L335 N423 I428 K429	I328-L425 HydrophobicContact CG2-CD1 4.2Å; I328-L425 HydrophobicContact CG2-CD2 3.62Å; I328-L425 HydrophobicContact CG2-CG 3.89Å; H332-L425 HydrophobicContact CB-CD2 4.1Å; H332-L425 WeakPolarHBondContact CE1-CD1 3.35Å; H332-L425 WeakPolarHBondContact ND1-CD1 3.42Å; L335-L425 HydrophobicContact CB-CD2 4.43Å; L335-L425 HydrophobicContact CD1-CD2 4.04Å; N423-L425 PolarHBondContact O-N 3Å; L425-I428 HydrophobicContact CD2-CD1 4.36Å; L425-I428 PolarHBondContact O-N 3.35Å; L425-K429 WeakPolarHBondContact O-CB 3.36Å; L425-K429 VanDerWaalsContact O-CG 3.25Å; L425-K429 WeakPolarHBondContact O-CG 3.14Å; L425-K429 PolarHBondContact O-N 3.45Å
426	E	98.6	Very high	98.4	Very high	100 Å²	100	59.5 Å²	59.5	47%	0.467	29%	0.289	S	S	.	.	H	α-helix	trans	-60.8	-45.5	173.4	-178.2	-147.2	121.3	0	0	110.5	N423 L424 K429 W430	N423-E426 HydrophobicContact CB-CB 4.47Å; N423-E426 WeakPolarHBondContact O-CB 3.46Å; N423-E426 PolarHBondContact O-N 2.99Å; L424-E426 VanDerWaalsContact C-N 3.31Å; L424-E426 PolarHBondContact O-N 3.09Å; E426-K429 PolarHBondContact O-N 2.99Å; E426-W430 WeakPolarHBondContact O-CB 3.48Å; E426-W430 PolarHBondContact O-N 3.21Å
427	K	98.8	Very high	98.4	Very high	47 Å²	47	64 Å²	64	20%	0.204	31%	0.306	C	S	.	.	H	α-helix	trans	-65.2	-39.1	178.2	-60.8	-47.7	179.1	-152.9	0	112.9	L394 V415 F417 N423 L424 W430 A431	L394-K427 HydrophobicContact CD2-CB 3.91Å; V415-K427 HydrophobicContact CG1-CB 4.11Å; V415-K427 HydrophobicContact CG1-CD 4.16Å; V415-K427 HydrophobicContact CG1-CG 4.22Å; F417-K427 HydrophobicContact CB-CG 4.08Å; N423-K427 WeakPolarHBondContact ND2-CE 3.09Å; N423-K427 WeakPolarHBondContact O-CG 3.29Å; N423-K427 PolarHBondContact O-N 3.28Å; L424-K427 PolarHBondContact O-N 3.43Å; L424-K427 VanDerWaalsContact O-N 3.13Å; K427-W430 PolarHBondContact O-N 3.41Å; K427-A431 WeakPolarHBondContact O-CB 3.37Å; K427-A431 PolarHBondContact O-N 3.16Å
428	I	98.8	Very high	98.4	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-61.2	-48.8	173.2	-64.3	166.4	0	0	0	110.1	A311 L335 L336 L394 L424 L425 W430 A431 K432	A311-I428 HydrophobicContact CB-CD1 3.58Å; A311-I428 HydrophobicContact CB-CG1 3.85Å; A311-I428 HydrophobicContact CB-CG2 4.38Å; L335-I428 HydrophobicContact CB-CG2 4.35Å; L336-I428 HydrophobicContact CB-CD1 4.36Å; L394-I428 HydrophobicContact CD1-CG1 3.69Å; L424-I428 HydrophobicContact CD1-CD1 4.21Å; L424-I428 HydrophobicContact CD1-CG1 4.37Å; L424-I428 HydrophobicContact CG-CD1 4.04Å; L424-I428 WeakPolarHBondContact O-CG1 3.48Å; L424-I428 PolarHBondContact O-N 3.49Å; L425-I428 HydrophobicContact CD2-CD1 4.36Å; L425-I428 PolarHBondContact O-N 3.35Å; I428-W430 VanDerWaalsContact C-N 3.34Å; I428-W430 PolarHBondContact O-N 3.32Å; I428-A431 PolarHBondContact O-N 3.11Å; I428-K432 HydrophobicContact CG2-CD 4.39Å; I428-K432 WeakPolarHBondContact O-CG 3.41Å; I428-K432 PolarHBondContact O-N 2.75Å
429	K	98.7	Very high	98.3	Very high	92 Å²	92	62.4 Å²	62.4	40%	0.4	30%	0.302	S	S	.	.	H	α-helix	trans	-63.1	-39	178.4	-70.8	174.3	-177	178.3	0	111.9	L335 L425 E426 K432 R433	L335-K429 HydrophobicContact CD1-CD 4.48Å; L335-K429 VanDerWaalsContact CD1-CE 3.49Å; L335-K429 HydrophobicContact CD1-CG 4.22Å; L425-K429 WeakPolarHBondContact O-CB 3.36Å; L425-K429 VanDerWaalsContact O-CG 3.25Å; L425-K429 WeakPolarHBondContact O-CG 3.14Å; L425-K429 PolarHBondContact O-N 3.45Å; E426-K429 PolarHBondContact O-N 2.99Å; K429-K432 PolarHBondContact O-N 3.05Å; K429-R433 PolarHBondContact O-N 3.28Å
430	W	98.7	Very high	98.4	Very high	74 Å²	74	66 Å²	66	28%	0.28	31%	0.309	S	S	.	.	H	α-helix	trans	-60.7	-46.5	173.4	175.5	93.6	0	0	0	111.4	V415 E426 K427 I428 K432 R433 N434 K437 V438 I441	V415-W430 HydrophobicContact CG2-CE3 4.36Å; V415-W430 HydrophobicContact CG2-CH2 4.28Å; V415-W430 HydrophobicContact CG2-CZ3 3.63Å; E426-W430 WeakPolarHBondContact O-CB 3.48Å; E426-W430 PolarHBondContact O-N 3.21Å; K427-W430 PolarHBondContact O-N 3.41Å; I428-W430 VanDerWaalsContact C-N 3.34Å; I428-W430 PolarHBondContact O-N 3.32Å; W430-K432 VanDerWaalsContact C-N 3.28Å; W430-K432 PolarHBondContact O-N 2.75Å; W430-R433 PolarHBondContact O-N 2.94Å; W430-R433 VanDerWaalsContact O-N 3.08Å; W430-N434 HydrophobicContact CD2-CB 4.47Å; W430-N434 HydrophobicContact CH2-CB 4.45Å; W430-N434 HydrophobicContact CZ2-CB 4.2Å; W430-N434 PolarHBondContact NE1-ND2 2.75Å; W430-N434 WeakPolarHBondContact O-CB 3.35Å; W430-N434 PolarHBondContact O-N 3.17Å; W430-N434 VanDerWaalsContact O-N 3.07Å; W430-N434 PolarHBondContact O-ND2 2.62Å; W430-K437 HydrophobicContact CH2-CB 4.29Å; W430-K437 HydrophobicContact CZ2-CD 4.11Å; W430-V438 HydrophobicContact CZ3-CG2 4.24Å; W430-I441 HydrophobicContact CH2-CD1 4.1Å; W430-I441 HydrophobicContact CZ3-CD1 4.49Å
431	A	98.6	Very high	98.4	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.7	-34.2	-179.8	0	0	0	0	0	112.2	Y370 L392 K427 I428 N434 V438	Y370-A431 HydrophobicContact CD1-CB 3.7Å; Y370-A431 HydrophobicContact CE1-CB 3.44Å; Y370-A431 VanDerWaalsContact CE1-CB 3.44Å; L392-A431 HydrophobicContact CD2-CB 3.53Å; K427-A431 WeakPolarHBondContact O-CB 3.37Å; K427-A431 PolarHBondContact O-N 3.16Å; I428-A431 PolarHBondContact O-N 3.11Å; A431-N434 PolarHBondContact O-N 3.38Å; A431-V438 HydrophobicContact CB-CG2 4.01Å
432	K	98.3	Very high	98.4	Very high	77 Å²	77	62.8 Å²	62.8	34%	0.335	29%	0.292	S	S	.	.	H	α-helix	trans	-65.1	-36	172.7	-69.6	178.1	78.1	145.5	0	112.8	S309 L335 Y370 I428 K429 W430	S309-K432 PolarHBondContact O-NZ 3.07Å; L335-K432 HydrophobicContact CD2-CD 4.26Å; Y370-K432 HydrophobicContact CE2-CD 4.37Å; Y370-K432 HydrophobicContact CE2-CG 3.67Å; Y370-K432 WeakPolarHBondContact OH-CA 3.43Å; Y370-K432 WeakPolarHBondContact OH-CG 3.37Å; I428-K432 HydrophobicContact CG2-CD 4.39Å; I428-K432 WeakPolarHBondContact O-CG 3.41Å; I428-K432 PolarHBondContact O-N 2.75Å; K429-K432 PolarHBondContact O-N 3.05Å; W430-K432 VanDerWaalsContact C-N 3.28Å; W430-K432 PolarHBondContact O-N 2.75Å
433	R	98.3	Very high	98.3	Very high	163 Å²	163	61.9 Å²	61.9	62%	0.615	29%	0.285	S	S	*	.	H	α-helix	trans	-83	-13.3	179	-67.9	-172.3	-62.8	-93.5	-0.4	114.6	K429 W430 P435	K429-R433 PolarHBondContact O-N 3.28Å; W430-R433 PolarHBondContact O-N 2.94Å; W430-R433 VanDerWaalsContact O-N 3.08Å; R433-P435 WeakPolarHBondContact O-CD 3.2Å
434	N	98.4	Very high	98.3	Very high	38 Å²	38	62.3 Å²	62.3	20%	0.203	29%	0.288	C	S	.	.			trans	-124.6	52.3	-171.9	-68	-91.4	0	0	0	113.4	W430 A431 K436 K437 V438	W430-N434 HydrophobicContact CD2-CB 4.47Å; W430-N434 HydrophobicContact CH2-CB 4.45Å; W430-N434 HydrophobicContact CZ2-CB 4.2Å; W430-N434 PolarHBondContact NE1-ND2 2.75Å; W430-N434 WeakPolarHBondContact O-CB 3.35Å; W430-N434 PolarHBondContact O-N 3.17Å; W430-N434 VanDerWaalsContact O-N 3.07Å; W430-N434 PolarHBondContact O-ND2 2.62Å; A431-N434 PolarHBondContact O-N 3.38Å; N434-K436 VanDerWaalsContact C-N 3.32Å; N434-K436 PolarHBondContact O-N 2.74Å; N434-K437 HydrophobicContact CB-CB 4.24Å; N434-K437 HydrophobicContact CB-CD 4.39Å; N434-K437 PolarHBondContact O-N 3.47Å; N434-K437 VanDerWaalsContact O-N 3.15Å; N434-V438 WeakPolarHBondContact O-CG2 3.23Å; N434-V438 PolarHBondContact O-N 3.16Å
435	P	97.8	Very high	98.3	Very high	54 Å²	54	62.5 Å²	62.5	35%	0.351	29%	0.289	S	S	.	.	H	α-helix	trans	-57.3	-40.1	-173.3	23.8	-34.7	0	0	0	113.5	W304 R433 K437 V438 L439	W304-P435 HydrophobicContact CH2-CB 3.62Å; W304-P435 HydrophobicContact CZ3-CB 3.72Å; R433-P435 WeakPolarHBondContact O-CD 3.2Å; P435-K437 PolarHBondContact O-N 2.78Å; P435-V438 WeakPolarHBondContact O-CB 3.31Å; P435-V438 PolarHBondContact O-N 2.94Å; P435-L439 WeakPolarHBondContact O-CG 3.39Å; P435-L439 PolarHBondContact O-N 2.88Å
436	K	97.9	Very high	98.1	Very high	186 Å²	186	62.3 Å²	62.3	81%	0.809	29%	0.287	S	S	*	.	H	α-helix	trans	-61.9	-45.1	178.4	-67.3	-173.7	178.9	-177.4	0	112.3	N434 V438 L439 K440	N434-K436 VanDerWaalsContact C-N 3.32Å; N434-K436 PolarHBondContact O-N 2.74Å; K436-V438 VanDerWaalsContact C-N 3.34Å; K436-L439 PolarHBondContact O-N 2.85Å; K436-K440 PolarHBondContact O-N 2.84Å
437	K	98.4	Very high	98	Very high	125 Å²	125	61.1 Å²	61.1	54%	0.543	29%	0.287	S	S	.	.	H	α-helix	trans	-65.2	-40.8	176.6	-65.4	-175.6	177.3	178.1	0	111	W430 N434 P435 L439 K440 I441	W430-K437 HydrophobicContact CH2-CB 4.29Å; W430-K437 HydrophobicContact CZ2-CD 4.11Å; N434-K437 HydrophobicContact CB-CB 4.24Å; N434-K437 HydrophobicContact CB-CD 4.39Å; N434-K437 PolarHBondContact O-N 3.47Å; N434-K437 VanDerWaalsContact O-N 3.15Å; P435-K437 PolarHBondContact O-N 2.78Å; K437-L439 PolarHBondContact O-N 3.41Å; K437-K440 PolarHBondContact O-N 2.81Å; K437-I441 WeakPolarHBondContact O-CG1 3.45Å; K437-I441 PolarHBondContact O-N 3.13Å
438	V	98.6	Very high	97.9	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-58.1	-48.1	176.6	164.4	0	0	0	0	111.8	W304 L392 W430 A431 N434 P435 K436 K440 I441 I442	W304-V438 HydrophobicContact CZ2-CB 4.37Å; W304-V438 HydrophobicContact CZ2-CG1 3.66Å; L392-V438 HydrophobicContact CB-CG1 3.78Å; L392-V438 HydrophobicContact CD1-CG1 4.09Å; L392-V438 HydrophobicContact CD1-CG2 4.46Å; L392-V438 HydrophobicContact CD2-CB 4.48Å; L392-V438 HydrophobicContact CD2-CG1 4.1Å; L392-V438 HydrophobicContact CD2-CG2 3.73Å; L392-V438 HydrophobicContact CG-CG1 4.2Å; W430-V438 HydrophobicContact CZ3-CG2 4.24Å; A431-V438 HydrophobicContact CB-CG2 4.01Å; N434-V438 WeakPolarHBondContact O-CG2 3.23Å; N434-V438 PolarHBondContact O-N 3.16Å; P435-V438 WeakPolarHBondContact O-CB 3.31Å; P435-V438 PolarHBondContact O-N 2.94Å; K436-V438 VanDerWaalsContact C-N 3.34Å; V438-K440 VanDerWaalsContact C-N 3.3Å; V438-K440 PolarHBondContact O-N 3.49Å; V438-I441 PolarHBondContact O-N 2.76Å; V438-I442 HydrophobicContact CG1-CD1 3.91Å; V438-I442 WeakPolarHBondContact O-CG1 3.35Å; V438-I442 PolarHBondContact O-N 3.48Å
439	L	97.4	Very high	97.7	Very high	83 Å²	83	59.9 Å²	59.9	44%	0.435	28%	0.282	S	S	.	.	H	α-helix	trans	-62.4	-37.8	178.2	-69.4	171.3	0	0	0	112.1	W304 P435 K436 K437 I442 S443	W304-L439 HydrophobicContact CB-CD2 3.92Å; W304-L439 HydrophobicContact CD2-CD2 3.87Å; W304-L439 HydrophobicContact CE3-CD2 4.24Å; W304-L439 HydrophobicContact CG-CD2 3.71Å; P435-L439 WeakPolarHBondContact O-CG 3.39Å; P435-L439 PolarHBondContact O-N 2.88Å; K436-L439 PolarHBondContact O-N 2.85Å; K437-L439 PolarHBondContact O-N 3.41Å; L439-I442 PolarHBondContact O-N 3.36Å; L439-S443 PolarHBondContact O-N 3.42Å
440	K	98.3	Very high	97.5	Very high	123 Å²	123	58 Å²	58	54%	0.535	27%	0.274	S	S	.	.	H	α-helix	trans	-64	-41.3	174.3	-176.6	54.3	174.2	158.2	0	112.2	K436 K437 V438 S443 N444	K436-K440 PolarHBondContact O-N 2.84Å; K437-K440 PolarHBondContact O-N 2.81Å; V438-K440 VanDerWaalsContact C-N 3.3Å; V438-K440 PolarHBondContact O-N 3.49Å; K440-S443 PolarHBondContact O-N 2.95Å; K440-N444 WeakPolarHBondContact CE-OD1 3.4Å; K440-N444 PolarHBondContact NZ-OD1 2.81Å; K440-N444 PolarHBondContact O-N 3.34Å; K440-N444 PolarHBondContact O-ND2 2.88Å; K440-N444 PolarHBondContact O-OD1 2.89Å
441	I	98.8	Very high	97.3	Very high	9 Å²	9	56.8 Å²	56.8	5%	0.046	27%	0.272	C	S	.	.	H	α-helix	trans	-61.6	-45.4	176.5	-68.7	169.8	0	0	0	111	L392 G411 V412 H413 V415 W430 K437 V438 S443 N444 A445	L392-I441 HydrophobicContact CD1-CB 4.04Å; L392-I441 HydrophobicContact CD1-CD1 4.41Å; L392-I441 HydrophobicContact CD1-CG2 3.67Å; G411-I441 WeakPolarHBondContact O-CD1 3.29Å; G411-I441 WeakPolarHBondContact O-CG1 3.44Å; V412-I441 WeakPolarHBondContact O-CA 3.48Å; H413-I441 VanDerWaalsContact C-CG2 3.48Å; V415-I441 HydrophobicContact CG2-CD1 3.81Å; W430-I441 HydrophobicContact CH2-CD1 4.1Å; W430-I441 HydrophobicContact CZ3-CD1 4.49Å; K437-I441 WeakPolarHBondContact O-CG1 3.45Å; K437-I441 PolarHBondContact O-N 3.13Å; V438-I441 PolarHBondContact O-N 2.76Å; I441-S443 PolarHBondContact O-N 3.25Å; I441-N444 PolarHBondContact O-N 3.04Å; I441-A445 PolarHBondContact O-N 3.26Å
442	I	97.8	Very high	97.2	Very high	14 Å²	14	57.6 Å²	57.6	7%	0.072	28%	0.277	C	S	.	.	H	α-helix	trans	-59.3	-48.4	177	-66.4	166.4	0	0	0	110.4	L392 V438 L439 N444 A445 H446	L392-I442 HydrophobicContact CB-CD1 4.38Å; L392-I442 HydrophobicContact CB-CG1 4.49Å; V438-I442 HydrophobicContact CG1-CD1 3.91Å; V438-I442 WeakPolarHBondContact O-CG1 3.35Å; V438-I442 PolarHBondContact O-N 3.48Å; L439-I442 PolarHBondContact O-N 3.36Å; I442-N444 PolarHBondContact O-N 2.83Å; I442-A445 WeakPolarHBondContact O-CB 3.26Å; I442-A445 PolarHBondContact O-N 2.83Å; I442-H446 VanDerWaalsContact CG2-CE1 3.48Å; I442-H446 WeakPolarHBondContact CG2-CE1 3.47Å; I442-H446 PolarHBondContact O-CD2 3Å; I442-H446 PolarHBondContact O-N 3.01Å; I442-H446 VanDerWaalsContact O-N 3.1Å
443	S	96.1	Very high	97	Very high	56 Å²	56	54 Å²	54	39%	0.392	26%	0.261	S	S	.	.	H	α-helix	trans	-60.2	-43.8	178.3	170.7	0	0	0	0	112.4	L439 K440 I441 A445 H446 T447	L439-S443 PolarHBondContact O-N 3.42Å; K440-S443 PolarHBondContact O-N 2.95Å; I441-S443 PolarHBondContact O-N 3.25Å; S443-A445 VanDerWaalsContact C-N 3.31Å; S443-A445 PolarHBondContact O-N 3Å; S443-H446 WeakPolarHBondContact O-CB 3.44Å; S443-H446 PolarHBondContact O-N 2.89Å; S443-T447 PolarHBondContact O-N 2.94Å; S443-T447 VanDerWaalsContact O-N 3.13Å; S443-T447 PolarHBondContact O-OG1 2.68Å
444	N	98.4	Very high	96.8	Very high	33 Å²	33	46.6 Å²	46.6	18%	0.176	23%	0.234	C	C	.	.	H	α-helix	trans	-63.8	-37	177.3	-63.8	-20.3	0	0	0	111.9	V412 K440 I441 I442 H446 T447 F448	V412-N444 HydrophobicContact CG1-CB 4.27Å; V412-N444 VanDerWaalsContact O-CB 3.27Å; V412-N444 WeakPolarHBondContact O-CB 3.24Å; V412-N444 PolarHBondContact O-ND2 3.4Å; K440-N444 WeakPolarHBondContact CE-OD1 3.4Å; K440-N444 PolarHBondContact NZ-OD1 2.81Å; K440-N444 PolarHBondContact O-N 3.34Å; K440-N444 PolarHBondContact O-ND2 2.88Å; K440-N444 PolarHBondContact O-OD1 2.89Å; I441-N444 PolarHBondContact O-N 3.04Å; I442-N444 PolarHBondContact O-N 2.83Å; N444-H446 VanDerWaalsContact C-N 3.33Å; N444-H446 PolarHBondContact O-N 3.36Å; N444-T447 PolarHBondContact O-N 2.96Å; N444-F448 PolarHBondContact O-N 2.79Å
445	A	98.1	Very high	96.6	Very high	3 Å²	3	45 Å²	45	3%	0.025	23%	0.226	C	C	.	.	H	α-helix	trans	-62	-40.4	175	0	0	0	0	0	112	L387 H413 I441 I442 S443 F448 L449	L387-A445 HydrophobicContact CB-CB 4.47Å; L387-A445 HydrophobicContact CD2-CB 3.96Å; H413-A445 HydrophobicContact CB-CB 4.43Å; H413-A445 WeakPolarHBondContact O-CB 3.42Å; I441-A445 PolarHBondContact O-N 3.26Å; I442-A445 WeakPolarHBondContact O-CB 3.26Å; I442-A445 PolarHBondContact O-N 2.83Å; S443-A445 VanDerWaalsContact C-N 3.31Å; S443-A445 PolarHBondContact O-N 3Å; A445-F448 PolarHBondContact O-N 3.48Å; A445-L449 WeakPolarHBondContact O-CG 3.49Å; A445-L449 PolarHBondContact O-N 2.71Å
446	H	95.6	Very high	96.5	Very high	32 Å²	32	43.9 Å²	43.9	15%	0.148	22%	0.215	C	C	.	.	H	α-helix	trans	-61.7	-46.4	175.9	-62.3	168.1	0	0	0	111.7	R300 L387 G389 I442 S443 N444 F448 L449 K450	R300-H446 PolarHBondContact NH2-CD2 3.08Å; R300-H446 PolarHBondContact NH2-CE1 3.1Å; R300-H446 PolarHBondContact NH2-ND1 2.63Å; R300-H446 PolarHBondContact NH2-NE2 2.98Å; L387-H446 PolarHBondContact O-CD2 3.46Å; L387-H446 PolarHBondContact O-NE2 2.91Å; G389-H446 PolarHBondContact O-NE2 3.44Å; I442-H446 VanDerWaalsContact CG2-CE1 3.48Å; I442-H446 WeakPolarHBondContact CG2-CE1 3.47Å; I442-H446 PolarHBondContact O-CD2 3Å; I442-H446 PolarHBondContact O-N 3.01Å; I442-H446 VanDerWaalsContact O-N 3.1Å; S443-H446 WeakPolarHBondContact O-CB 3.44Å; S443-H446 PolarHBondContact O-N 2.89Å; N444-H446 VanDerWaalsContact C-N 3.33Å; N444-H446 PolarHBondContact O-N 3.36Å; H446-F448 VanDerWaalsContact C-N 3.35Å; H446-F448 PolarHBondContact O-N 3.39Å; H446-L449 PolarHBondContact O-N 2.62Å; H446-K450 WeakPolarHBondContact O-CB 3.48Å; H446-K450 PolarHBondContact O-N 2.84Å
447	T	95.4	Very high	96.4	Very high	74 Å²	74	35.6 Å²	35.6	45%	0.454	18%	0.179	S	C	.	.	H	α-helix	trans	-59.4	-46.4	175.1	-55.8	0	0	0	0	111.1	S443 N444 L449 K450 D451	S443-T447 PolarHBondContact O-N 2.94Å; S443-T447 VanDerWaalsContact O-N 3.13Å; S443-T447 PolarHBondContact O-OG1 2.68Å; N444-T447 PolarHBondContact O-N 2.96Å; T447-L449 PolarHBondContact O-N 3.28Å; T447-K450 PolarHBondContact O-N 2.99Å; T447-D451 WeakPolarHBondContact O-CB 3.37Å; T447-D451 PolarHBondContact O-N 2.81Å
448	F	97.7	Very high	96.3	Very high	15 Å²	15	29.7 Å²	29.7	7%	0.066	15%	0.153	C	C	.	.	H	α-helix	trans	-57.1	-48.2	178.4	177.3	-87.5	0	0	0	112.1	L156 Y404 G407 L408 H413 N444 A445 H446 D451 N452 V453	L156-F448 HydrophobicContact CD2-CZ 4.47Å; Y404-F448 AromaticContact CD2-CE1 3.94Å; Y404-F448 HydrophobicContact CD2-CE1 3.94Å; G407-F448 VanDerWaalsContact C-CE2 3.47Å; G407-F448 WeakPolarHBondContact O-CE2 3.25Å; L408-F448 HydrophobicContact CD2-CD1 3.46Å; L408-F448 VanDerWaalsContact CD2-CD1 3.46Å; L408-F448 HydrophobicContact CD2-CD2 4.41Å; L408-F448 HydrophobicContact CD2-CE1 3.43Å; L408-F448 VanDerWaalsContact CD2-CE1 3.43Å; L408-F448 HydrophobicContact CD2-CE2 4.37Å; L408-F448 HydrophobicContact CD2-CG 3.99Å; L408-F448 HydrophobicContact CD2-CZ 3.9Å; L408-F448 HydrophobicContact CG-CE1 4.1Å; L408-F448 HydrophobicContact CG-CZ 4.26Å; H413-F448 AromaticContact CE1-CD2 3.51Å; H413-F448 AromaticContact CE1-CG 3.97Å; H413-F448 AromaticContact ND1-CD2 3.86Å; N444-F448 PolarHBondContact O-N 2.79Å; A445-F448 PolarHBondContact O-N 3.48Å; H446-F448 VanDerWaalsContact C-N 3.35Å; H446-F448 PolarHBondContact O-N 3.39Å; F448-D451 PolarHBondContact O-N 3.43Å; F448-N452 HydrophobicContact CE1-CB 4.27Å; F448-N452 HydrophobicContact CE2-CB 4.4Å; F448-N452 HydrophobicContact CZ-CB 4.13Å; F448-N452 WeakPolarHBondContact O-CB 3.48Å; F448-N452 PolarHBondContact O-N 2.97Å; F448-N452 PolarHBondContact O-ND2 3.12Å; F448-V453 HydrophobicContact CE1-CG2 4.12Å
449	L	95.4	Very high	96.3	Very high	7 Å²	7	29.7 Å²	29.7	4%	0.037	15%	0.153	C	C	.	.	H	α-helix	trans	-63.1	-44.5	179.6	-69.4	-178.7	0	0	0	112	L293 T384 L387 A388 A445 H446 T447 D451 N452 V453 M454	L293-L449 HydrophobicContact CD2-CD1 4.39Å; T384-L449 WeakPolarHBondContact O-CD1 3.4Å; L387-L449 HydrophobicContact CB-CD1 3.73Å; L387-L449 HydrophobicContact CB-CD2 4.45Å; L387-L449 HydrophobicContact CB-CG 4.28Å; L387-L449 HydrophobicContact CD1-CD2 4.44Å; A388-L449 HydrophobicContact CB-CD1 3.73Å; A445-L449 WeakPolarHBondContact O-CG 3.49Å; A445-L449 PolarHBondContact O-N 2.71Å; H446-L449 PolarHBondContact O-N 2.62Å; T447-L449 PolarHBondContact O-N 3.28Å; L449-D451 PolarHBondContact O-N 2.94Å; L449-N452 PolarHBondContact O-N 3.45Å; L449-V453 HydrophobicContact CD2-CB 4.06Å; L449-V453 HydrophobicContact CD2-CG1 4.49Å; L449-V453 HydrophobicContact CD2-CG2 3.75Å; L449-V453 PolarHBondContact O-N 3.32Å; L449-M454 PolarHBondContact O-N 3.04Å
450	K	93.3	Very high	96.3	Very high	53 Å²	53	25.9 Å²	25.9	23%	0.23	13%	0.133	C	C	.	.	H	α-helix	trans	-57.9	-36.5	177.8	-176.1	171.2	-179.7	156.3	0	112.2	Y32 F49 H446 T447 M454	Y32-K450 VanDerWaalsContact CE2-NZ 3.25Å; Y32-K450 VanDerWaalsContact CZ-NZ 3.27Å; Y32-K450 PolarHBondContact OH-NZ 2.99Å; F49-K450 VanDerWaalsContact CD1-NZ 3.31Å; F49-K450 VanDerWaalsContact CD2-CE 3.44Å; F49-K450 HydrophobicContact CE1-CD 4.21Å; F49-K450 HydrophobicContact CE1-CG 4.43Å; F49-K450 HydrophobicContact CE2-CD 4.34Å; F49-K450 HydrophobicContact CE2-CG 4.29Å; F49-K450 HydrophobicContact CZ-CD 4.06Å; F49-K450 HydrophobicContact CZ-CG 3.9Å; H446-K450 WeakPolarHBondContact O-CB 3.48Å; H446-K450 PolarHBondContact O-N 2.84Å; T447-K450 PolarHBondContact O-N 2.99Å; K450-M454 WeakPolarHBondContact O-CG 3.42Å
451	D	94.3	Very high	96.3	Very high	47 Å²	47	20.2 Å²	20.2	25%	0.251	11%	0.109	S	C	.	.	H	α-helix	trans	-88.3	-19.9	-174.7	-77.5	5.4	0	0	0	114.1	R153 T447 F448 L449 E457	R153-D451 WeakPolarHBondContact CD-O 3.33Å; R153-D451 IonicContact CZ-OD2 3.93Å; R153-D451 IonicContact NH1-OD1 2.62Å; R153-D451 PolarHBondContact NH1-OD1 2.97Å; R153-D451 IonicContact NH1-OD2 3.4Å; R153-D451 PolarHBondContact NH1-OD2 3.03Å; R153-D451 IonicContact NH2-OD2 3.03Å; T447-D451 WeakPolarHBondContact O-CB 3.37Å; T447-D451 PolarHBondContact O-N 2.81Å; F448-D451 PolarHBondContact O-N 3.43Å; L449-D451 PolarHBondContact O-N 2.94Å; D451-E457 WeakPolarHBondContact O-CG 3.23Å
452	N	96.1	Very high	96.2	Very high	18 Å²	18	20 Å²	20	10%	0.096	11%	0.108	C	C	.	.	H	α-helix	trans	-133.1	-16.4	-167.8	-62.3	-85.2	0	0	0	115.5	L156 F448 L449 E457	L156-N452 HydrophobicContact CD1-CB 3.9Å; L156-N452 HydrophobicContact CG-CB 4.31Å; F448-N452 HydrophobicContact CE1-CB 4.27Å; F448-N452 HydrophobicContact CE2-CB 4.4Å; F448-N452 HydrophobicContact CZ-CB 4.13Å; F448-N452 WeakPolarHBondContact O-CB 3.48Å; F448-N452 PolarHBondContact O-N 2.97Å; F448-N452 PolarHBondContact O-ND2 3.12Å; L449-N452 PolarHBondContact O-N 3.45Å; N452-E457 WeakPolarHBondContact O-CB 3.41Å
453	V	94.8	Very high	96.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-130.4	4.9	-168.8	-160.2	0	0	0	0	112.3	V278 L293 T384 Y404 F448 L449 I458	V278-V453 HydrophobicContact CG1-CG1 4.37Å; L293-V453 HydrophobicContact CD1-CB 4.2Å; L293-V453 HydrophobicContact CD1-CG1 4Å; L293-V453 WeakPolarHBondContact CD1-O 3.4Å; T384-V453 HydrophobicContact CG2-CG1 3.87Å; Y404-V453 HydrophobicContact CD2-CG2 4.42Å; Y404-V453 HydrophobicContact CG-CG2 4.21Å; F448-V453 HydrophobicContact CE1-CG2 4.12Å; L449-V453 HydrophobicContact CD2-CB 4.06Å; L449-V453 HydrophobicContact CD2-CG1 4.49Å; L449-V453 HydrophobicContact CD2-CG2 3.75Å; L449-V453 PolarHBondContact O-N 3.32Å; V453-I458 HydrophobicContact CG1-CD1 4Å; V453-I458 WeakPolarHBondContact O-CG1 3.32Å
454	M	94	Very high	96.4	Very high	9 Å²	9	17.5 Å²	17.5	4%	0.044	9%	0.089	C	C	.	.	S	Bend	trans	-72.9	161.2	174.2	-65.5	-59.9	-63.6	0	0	111.3	Y47 F49 L293 L294 L449 K450 R456 E457 I458	Y47-M454 HydrophobicContact CD2-CE 3.68Å; Y47-M454 HydrophobicContact CE2-CB 4Å; Y47-M454 HydrophobicContact CE2-CE 3.57Å; Y47-M454 HydrophobicContact CE2-CG 4.26Å; Y47-M454 HydrophobicContact CG-CE 4.2Å; Y47-M454 WeakPolarHBondContact OH-CB 3.49Å; F49-M454 HydrophobicContact CZ-CE 4.17Å; L293-M454 HydrophobicContact CB-SD 4.23Å; L293-M454 HydrophobicContact CD1-SD 4.41Å; L294-M454 HydrophobicContact CD1-CE 4.42Å; L294-M454 HydrophobicContact CD2-CE 3.31Å; L294-M454 HydrophobicContact CG-CE 3.72Å; L449-M454 PolarHBondContact O-N 3.04Å; K450-M454 WeakPolarHBondContact O-CG 3.42Å; M454-R456 PolarHBondContact O-N 2.94Å; M454-E457 VanDerWaalsContact CB-OE2 3.28Å; M454-E457 WeakPolarHBondContact CB-OE2 3.43Å; M454-E457 WeakPolarHBondContact O-CB 3.37Å; M454-E457 PolarHBondContact O-N 2.82Å; M454-I458 WeakPolarHBondContact O-CG1 3.48Å; M454-I458 PolarHBondContact O-N 3.03Å
455	P	94.2	Very high	96.4	Very high	5 Å²	5	16 Å²	16	3%	0.032	8%	0.081	C	C	.	.	H	α-helix	trans	-49.6	-40.2	-173.8	-34.1	38.2	0	0	0	114.8	L43 Y47 T282 E457 I458 Y459	L43-P455 HydrophobicContact CD1-CB 4.45Å; Y47-P455 HydrophobicContact CD1-CG 4.27Å; Y47-P455 HydrophobicContact CE1-CB 3.94Å; Y47-P455 HydrophobicContact CE1-CG 3.98Å; T282-P455 HydrophobicContact CG2-CB 3.93Å; T282-P455 HydrophobicContact CG2-CG 4.44Å; P455-E457 PolarHBondContact O-N 2.93Å; P455-I458 PolarHBondContact O-N 2.79Å; P455-Y459 WeakPolarHBondContact O-CD2 3.34Å; P455-Y459 PolarHBondContact O-N 2.76Å; P455-Y459 VanDerWaalsContact O-N 3.1Å
456	R	95.7	Very high	96.4	Very high	30 Å²	30	16.1 Å²	16.1	11%	0.113	8%	0.081	C	C	.	.	H	α-helix	trans	-60.6	-47.7	177.9	-179.7	-179.7	74.7	174.5	-6.3	111.7	L41 L43 Y47 A150 M454 Y459 C460	L41-R456 HydrophobicContact CD2-CG 3.99Å; L43-R456 HydrophobicContact CD1-CB 4.26Å; Y47-R456 WeakPolarHBondContact OH-CB 3.31Å; Y47-R456 PolarHBondContact OH-N 3.24Å; A150-R456 HydrophobicContact CB-CG 4.36Å; A150-R456 WeakPolarHBondContact O-CD 3.47Å; M454-R456 PolarHBondContact O-N 2.94Å; R456-Y459 PolarHBondContact O-N 2.98Å; R456-C460 PolarHBondContact O-N 3.13Å; R456-C460 PolarHBondContact O-SG 2.88Å
457	E	96.6	Very high	96.5	Very high	12 Å²	12	15.7 Å²	15.7	6%	0.056	8%	0.08	C	C	.	.	H	α-helix	trans	-65.1	-38.6	180	-70	61.5	-143.3	0	0	111.5	Y47 D451 N452 M454 P455 Y459 C460 Y461	Y47-E457 PolarHBondContact OH-OE2 3.25Å; D451-E457 WeakPolarHBondContact O-CG 3.23Å; N452-E457 WeakPolarHBondContact O-CB 3.41Å; M454-E457 VanDerWaalsContact CB-OE2 3.28Å; M454-E457 WeakPolarHBondContact CB-OE2 3.43Å; M454-E457 WeakPolarHBondContact O-CB 3.37Å; M454-E457 PolarHBondContact O-N 2.82Å; P455-E457 PolarHBondContact O-N 2.93Å; E457-Y459 PolarHBondContact O-N 2.87Å; E457-C460 WeakPolarHBondContact O-CB 3.36Å; E457-C460 PolarHBondContact O-N 2.93Å; E457-Y461 WeakPolarHBondContact O-CB 3.49Å; E457-Y461 PolarHBondContact O-N 3.26Å
458	I	96.4	Very high	96.6	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-62.6	-42.8	175.2	-62.5	-51.5	0	0	0	111.7	P274 V278 M279 T282 H403 V453 M454 P455 Y461 N462	P274-I458 HydrophobicContact CB-CD1 4.47Å; P274-I458 HydrophobicContact CB-CG2 4.21Å; P274-I458 HydrophobicContact CG-CD1 4.45Å; P274-I458 HydrophobicContact CG-CG2 4.32Å; V278-I458 HydrophobicContact CG1-CD1 3.39Å; V278-I458 HydrophobicContact CG1-CG1 3.8Å; V278-I458 HydrophobicContact CG1-CG2 4.37Å; M279-I458 HydrophobicContact CE-CG2 4.2Å; M279-I458 HydrophobicContact SD-CG2 3.27Å; M279-I458 WeakPolarHBondContact SD-CG2 3.48Å; T282-I458 HydrophobicContact CG2-CB 4.38Å; T282-I458 HydrophobicContact CG2-CG2 4.21Å; H403-I458 WeakPolarHBondContact NE2-CD1 3.28Å; V453-I458 HydrophobicContact CG1-CD1 4Å; V453-I458 WeakPolarHBondContact O-CG1 3.32Å; M454-I458 WeakPolarHBondContact O-CG1 3.48Å; M454-I458 PolarHBondContact O-N 3.03Å; P455-I458 PolarHBondContact O-N 2.79Å; I458-Y461 PolarHBondContact O-N 2.87Å; I458-N462 PolarHBondContact O-N 3.29Å; I458-N462 VanDerWaalsContact O-N 3.08Å; I458-N462 PolarHBondContact O-ND2 3.21Å
459	Y	97.1	Very high	96.7	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-65.8	-45.7	175	-85.1	-111.4	0	0	0	111.5	L43 P44 W146 S225 I226 K229 T282 L283 P455 R456 E457 Y461 N462 I463	L43-Y459 HydrophobicContact CD2-CD2 4.15Å; L43-Y459 HydrophobicContact CD2-CE2 4.31Å; L43-Y459 HydrophobicContact CD2-CG 4.34Å; P44-Y459 VanDerWaalsContact CD-OH 3.25Å; P44-Y459 WeakPolarHBondContact CD-OH 3.34Å; P44-Y459 HydrophobicContact CG-CE2 4.36Å; P44-Y459 WeakPolarHBondContact CG-OH 3.31Å; W146-Y459 HydrophobicContact CH2-CG 4.45Å; W146-Y459 HydrophobicContact CZ2-CD1 4.32Å; W146-Y459 HydrophobicContact CZ2-CG 4.45Å; S225-Y459 WeakPolarHBondContact CB-OH 3.49Å; S225-Y459 PolarHBondContact OG-OH 2.99Å; I226-Y459 HydrophobicContact CG1-CD1 3.8Å; I226-Y459 HydrophobicContact CG1-CE1 3.82Å; K229-Y459 HydrophobicContact CD-CD1 4.07Å; K229-Y459 HydrophobicContact CD-CE1 3.61Å; T282-Y459 HydrophobicContact CG2-CD2 4.05Å; T282-Y459 HydrophobicContact CG2-CE2 3.61Å; L283-Y459 WeakPolarHBondContact CD2-OH 3.34Å; P455-Y459 WeakPolarHBondContact O-CD2 3.34Å; P455-Y459 PolarHBondContact O-N 2.76Å; P455-Y459 VanDerWaalsContact O-N 3.1Å; R456-Y459 PolarHBondContact O-N 2.98Å; E457-Y459 PolarHBondContact O-N 2.87Å; Y459-Y461 VanDerWaalsContact C-N 3.28Å; Y459-Y461 PolarHBondContact O-N 2.94Å; Y459-N462 PolarHBondContact O-N 3.1Å; Y459-I463 WeakPolarHBondContact O-CB 3.09Å; Y459-I463 WeakPolarHBondContact O-CD1 3.46Å; Y459-I463 WeakPolarHBondContact O-CG1 3.45Å; Y459-I463 PolarHBondContact O-N 2.83Å
460	C	97.9	Very high	96.8	Very high	3 Å²	3	16.7 Å²	16.7	2%	0.02	8%	0.077	C	C	.	.	H	α-helix	trans	-54	-45.9	176.2	-73.6	0	0	0	0	111.7	C152 F157 R456 E457 E464	C152-C460 WeakPolarHBondContact CA-SG 3.25Å; C152-C460 HydrophobicContact CB-CB 3.63Å; C152-C460 WeakPolarHBondContact CB-SG 3.11Å; C152-C460 WeakPolarHBondContact SG-CB 3.27Å; C152-C460 CovalentContact SG-SG 2.03Å; C152-C460 PolarHBondContact SG-SG 2.85Å; F157-C460 HydrophobicContact CZ-CB 4.13Å; R456-C460 PolarHBondContact O-N 3.13Å; R456-C460 PolarHBondContact O-SG 2.88Å; E457-C460 WeakPolarHBondContact O-CB 3.36Å; E457-C460 PolarHBondContact O-N 2.93Å; C460-E464 VanDerWaalsContact O-CB 3.31Å; C460-E464 WeakPolarHBondContact O-CB 3.33Å; C460-E464 PolarHBondContact O-N 2.98Å
461	Y	98.3	Very high	97	Very high	5 Å²	5	19.9 Å²	19.9	2%	0.02	9%	0.091	C	C	.	.	H	α-helix	trans	-65.6	-47.9	179.3	-161.5	-75.8	0	0	0	112.3	L156 F157 I160 V272 P274 H403 E457 I458 Y459 I463 E464 V465	L156-Y461 HydrophobicContact CB-CD2 4.11Å; L156-Y461 HydrophobicContact CB-CE2 3.86Å; F157-Y461 HydrophobicContact CD1-CD2 4.24Å; F157-Y461 HydrophobicContact CE1-CD2 4.3Å; I160-Y461 HydrophobicContact CD1-CD1 4.29Å; I160-Y461 HydrophobicContact CD1-CD2 4.19Å; I160-Y461 HydrophobicContact CD1-CE1 4.09Å; I160-Y461 HydrophobicContact CD1-CE2 3.97Å; I160-Y461 HydrophobicContact CD1-CG 4.35Å; I160-Y461 HydrophobicContact CG1-CE1 3.93Å; I160-Y461 HydrophobicContact CG1-CE2 3.86Å; V272-Y461 WeakPolarHBondContact O-CE1 3.24Å; P274-Y461 HydrophobicContact CG-CD1 4Å; P274-Y461 HydrophobicContact CG-CG 4.44Å; H403-Y461 HydrophobicContact CB-CD1 4.48Å; H403-Y461 HydrophobicContact CB-CE1 3.85Å; H403-Y461 HydrophobicContact CB-CE2 4.43Å; E457-Y461 WeakPolarHBondContact O-CB 3.49Å; E457-Y461 PolarHBondContact O-N 3.26Å; I458-Y461 PolarHBondContact O-N 2.87Å; Y459-Y461 VanDerWaalsContact C-N 3.28Å; Y459-Y461 PolarHBondContact O-N 2.94Å; Y461-I463 VanDerWaalsContact C-N 3.34Å; Y461-I463 PolarHBondContact O-N 2.82Å; Y461-E464 PolarHBondContact O-N 2.96Å; Y461-V465 HydrophobicContact CD1-CG2 3.8Å; Y461-V465 HydrophobicContact CE1-CG2 3.61Å; Y461-V465 WeakPolarHBondContact O-CG2 3.32Å; Y461-V465 PolarHBondContact O-N 2.91Å
462	N	98	Very high	97.2	Very high	5 Å²	5	18 Å²	18	3%	0.027	8%	0.081	C	C	.	.	H	α-helix	trans	-57.9	-46.2	177.9	-85.1	-95.1	0	0	0	112	I226 L273 P274 M279 I458 Y459 V465 L466	I226-N462 HydrophobicContact CD1-CB 3.67Å; L273-N462 HydrophobicContact CD1-CB 4.36Å; L273-N462 WeakPolarHBondContact CD1-OD1 3.38Å; P274-N462 WeakPolarHBondContact CG-ND2 3.39Å; M279-N462 PolarHBondContact SD-ND2 3.13Å; I458-N462 PolarHBondContact O-N 3.29Å; I458-N462 VanDerWaalsContact O-N 3.08Å; I458-N462 PolarHBondContact O-ND2 3.21Å; Y459-N462 PolarHBondContact O-N 3.1Å; N462-V465 PolarHBondContact O-N 3.32Å; N462-L466 PolarHBondContact O-N 3.25Å
463	I	98.3	Very high	97.3	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-63.6	-45.6	179.4	-69.4	161.4	0	0	0	110.2	V143 W146 I226 V230 L232 Y459 Y461 V465 L466 L467	V143-I463 HydrophobicContact CG2-CG2 3.61Å; W146-I463 HydrophobicContact CD2-CD1 4.12Å; W146-I463 HydrophobicContact CE3-CD1 3.56Å; W146-I463 HydrophobicContact CH2-CD1 3.81Å; W146-I463 HydrophobicContact CZ2-CD1 4.28Å; W146-I463 HydrophobicContact CZ3-CD1 3.4Å; I226-I463 HydrophobicContact CG2-CD1 4.09Å; I226-I463 HydrophobicContact CG2-CG1 3.69Å; V230-I463 HydrophobicContact CG2-CD1 3.85Å; L232-I463 HydrophobicContact CD2-CG1 4.35Å; L232-I463 HydrophobicContact CD2-CG2 4.49Å; Y459-I463 WeakPolarHBondContact O-CB 3.09Å; Y459-I463 WeakPolarHBondContact O-CD1 3.46Å; Y459-I463 WeakPolarHBondContact O-CG1 3.45Å; Y459-I463 PolarHBondContact O-N 2.83Å; Y461-I463 VanDerWaalsContact C-N 3.34Å; Y461-I463 PolarHBondContact O-N 2.82Å; I463-V465 VanDerWaalsContact C-N 3.35Å; I463-V465 PolarHBondContact O-N 3.46Å; I463-L466 PolarHBondContact O-N 3.32Å; I463-L467 HydrophobicContact CG2-CD1 4Å; I463-L467 HydrophobicContact CG2-CG 4.23Å; I463-L467 WeakPolarHBondContact O-CG 3.5Å; I463-L467 PolarHBondContact O-N 2.81Å
464	E	98.2	Very high	97.4	Very high	16 Å²	16	21.7 Å²	21.7	8%	0.075	10%	0.098	C	C	.	.	H	α-helix	trans	-64.1	-38.4	-178.4	-168.9	69.4	-166.7	0	0	112.3	K147 F157 I160 C460 Y461 L466 L467 R468	K147-E464 VanDerWaalsContact CE-OE2 3.25Å; K147-E464 WeakPolarHBondContact CE-OE2 3.29Å; K147-E464 IonicContact NZ-OE2 3Å; K147-E464 PolarHBondContact NZ-OE2 2.9Å; F157-E464 HydrophobicContact CD1-CB 4.45Å; F157-E464 HydrophobicContact CD1-CG 4.31Å; F157-E464 HydrophobicContact CD2-CB 4.34Å; F157-E464 HydrophobicContact CD2-CG 3.65Å; F157-E464 HydrophobicContact CE1-CB 4.02Å; F157-E464 HydrophobicContact CE1-CG 4.29Å; F157-E464 HydrophobicContact CE2-CB 3.88Å; F157-E464 HydrophobicContact CE2-CG 3.61Å; F157-E464 HydrophobicContact CG-CG 4Å; F157-E464 HydrophobicContact CZ-CB 3.7Å; F157-E464 HydrophobicContact CZ-CG 3.94Å; I160-E464 HydrophobicContact CD1-CB 3.94Å; I160-E464 HydrophobicContact CD1-CG 3.87Å; C460-E464 VanDerWaalsContact O-CB 3.31Å; C460-E464 WeakPolarHBondContact O-CB 3.33Å; C460-E464 PolarHBondContact O-N 2.98Å; Y461-E464 PolarHBondContact O-N 2.96Å; E464-L466 PolarHBondContact O-N 3.36Å; E464-L467 PolarHBondContact O-N 3.22Å; E464-R468 HydrophobicContact CG-CG 4.41Å; E464-R468 WeakPolarHBondContact O-CG 3.44Å; E464-R468 PolarHBondContact O-N 3.17Å; E464-R468 IonicContact OE1-CZ 2.86Å; E464-R468 VanDerWaalsContact OE1-CZ 3.31Å; E464-R468 IonicContact OE1-NE 3.95Å; E464-R468 PolarHBondContact OE1-NE 3.47Å; E464-R468 IonicContact OE1-NH2 3.49Å; E464-R468 PolarHBondContact OE1-NH2 2.59Å
465	V	98.6	Very high	97.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-56	-49.8	172.8	170.1	0	0	0	0	110.5	I160 I260 I271 L273 Y461 N462 I463 L467 R468 Y469	I160-V465 HydrophobicContact CD1-CG2 3.87Å; I160-V465 HydrophobicContact CG1-CG2 4.01Å; I160-V465 HydrophobicContact CG2-CG2 4.05Å; I260-V465 HydrophobicContact CD1-CG1 4.06Å; I271-V465 HydrophobicContact CG2-CG1 4.05Å; L273-V465 HydrophobicContact CD1-CB 4.12Å; L273-V465 HydrophobicContact CD1-CG1 4.14Å; L273-V465 HydrophobicContact CD1-CG2 4.18Å; Y461-V465 HydrophobicContact CD1-CG2 3.8Å; Y461-V465 HydrophobicContact CE1-CG2 3.61Å; Y461-V465 WeakPolarHBondContact O-CG2 3.32Å; Y461-V465 PolarHBondContact O-N 2.91Å; N462-V465 PolarHBondContact O-N 3.32Å; I463-V465 VanDerWaalsContact C-N 3.35Å; I463-V465 PolarHBondContact O-N 3.46Å; V465-L467 PolarHBondContact O-N 3.46Å; V465-R468 PolarHBondContact O-N 3.01Å; V465-Y469 WeakPolarHBondContact O-CB 2.9Å; V465-Y469 PolarHBondContact O-N 3.24Å
466	L	98.4	Very high	97.4	Very high	6 Å²	6	29.6 Å²	29.6	3%	0.031	14%	0.138	C	C	.	.	H	α-helix	trans	-65.9	-39	-178.9	-63.6	177.8	0	0	0	112.8	I199 L223 L232 F237 I260 N462 I463 E464 K470	I199-L466 HydrophobicContact CD1-CD1 4.19Å; L223-L466 HydrophobicContact CD2-CD1 4.03Å; L232-L466 HydrophobicContact CD1-CD1 3.81Å; L232-L466 HydrophobicContact CD2-CD1 4.25Å; F237-L466 HydrophobicContact CD1-CD2 3.96Å; F237-L466 HydrophobicContact CE1-CD2 3.64Å; F237-L466 HydrophobicContact CE2-CD2 4.22Å; F237-L466 HydrophobicContact CG-CD2 4.37Å; F237-L466 HydrophobicContact CZ-CD2 3.77Å; I260-L466 HydrophobicContact CD1-CD2 4.45Å; N462-L466 PolarHBondContact O-N 3.25Å; I463-L466 PolarHBondContact O-N 3.32Å; E464-L466 PolarHBondContact O-N 3.36Å; L466-K470 PolarHBondContact O-N 2.87Å
467	L	98	Very high	97.3	Very high	24 Å²	24	29.9 Å²	29.9	13%	0.126	14%	0.141	C	C	.	.	H	α-helix	trans	-63.2	-42	176.9	-70.2	179.5	0	0	0	112.2	V143 K147 P233 I463 E464 V465	V143-L467 HydrophobicContact CG1-CD2 4.19Å; V143-L467 HydrophobicContact CG2-CD1 3.8Å; V143-L467 HydrophobicContact CG2-CD2 4.09Å; V143-L467 HydrophobicContact CG2-CG 4.32Å; K147-L467 HydrophobicContact CD-CD1 3.9Å; P233-L467 HydrophobicContact CG-CD2 3.99Å; I463-L467 HydrophobicContact CG2-CD1 4Å; I463-L467 HydrophobicContact CG2-CG 4.23Å; I463-L467 WeakPolarHBondContact O-CG 3.5Å; I463-L467 PolarHBondContact O-N 2.81Å; E464-L467 PolarHBondContact O-N 3.22Å; V465-L467 PolarHBondContact O-N 3.46Å
468	R	97.9	Very high	96.8	Very high	32 Å²	32	30.9 Å²	30.9	12%	0.121	15%	0.147	C	C	.	.	H	α-helix	trans	-76.4	-38.2	179.4	-65	179.7	-177.4	-161.2	-1.2	111.7	F157 I160 D161 L164 E464 V465 K470 K471	F157-R468 PolarHBondContact O-NH1 3.46Å; I160-R468 HydrophobicContact CG2-CB 4.4Å; D161-R468 IonicContact OD1-CZ 3.99Å; D161-R468 IonicContact OD1-NE 2.75Å; D161-R468 IonicContact OD1-NH1 3.05Å; D161-R468 PolarHBondContact OD1-NH1 3.3Å; D161-R468 IonicContact OD2-CZ 2.59Å; D161-R468 IonicContact OD2-NH1 3.43Å; D161-R468 PolarHBondContact OD2-NH1 3.01Å; L164-R468 HydrophobicContact CD1-CB 3.28Å; L164-R468 HydrophobicContact CD1-CG 4.43Å; E464-R468 HydrophobicContact CG-CG 4.41Å; E464-R468 WeakPolarHBondContact O-CG 3.44Å; E464-R468 PolarHBondContact O-N 3.17Å; E464-R468 IonicContact OE1-CZ 2.86Å; E464-R468 VanDerWaalsContact OE1-CZ 3.31Å; E464-R468 IonicContact OE1-NE 3.95Å; E464-R468 PolarHBondContact OE1-NE 3.47Å; E464-R468 IonicContact OE1-NH2 3.49Å; E464-R468 PolarHBondContact OE1-NH2 2.59Å; V465-R468 PolarHBondContact O-N 3.01Å; R468-K470 VanDerWaalsContact C-N 3.28Å; R468-K470 PolarHBondContact O-N 3.17Å; R468-K471 WeakPolarHBondContact O-CB 3.24Å; R468-K471 PolarHBondContact O-N 2.9Å
469	Y	98.5	Very high	96	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-57.4	-41.6	173	-167.4	-77.7	0	0	0	111.5	L164 F174 V235 D236 F237 P258 I260 I271 V465 K471 I472 L473	L164-Y469 HydrophobicContact CD2-CD2 4.5Å; F174-Y469 HydrophobicContact CE2-CE1 4.32Å; V235-Y469 HydrophobicContact CG2-CD1 4.07Å; D236-Y469 VanDerWaalsContact O-CE1 3.28Å; D236-Y469 WeakPolarHBondContact O-CE1 3.48Å; F237-Y469 HydrophobicContact CB-CD1 3.94Å; F237-Y469 HydrophobicContact CB-CE1 3.52Å; F237-Y469 HydrophobicContact CB-CE2 4.29Å; P258-Y469 HydrophobicContact CB-CE2 3.91Å; P258-Y469 HydrophobicContact CG-CE2 4.38Å; P258-Y469 WeakPolarHBondContact O-CE2 3.45Å; P258-Y469 PolarHBondContact O-OH 3.49Å; I260-Y469 HydrophobicContact CD1-CD2 3.9Å; I260-Y469 HydrophobicContact CD1-CE2 4.2Å; I260-Y469 HydrophobicContact CD1-CG 4.44Å; I260-Y469 HydrophobicContact CG1-CD2 3.96Å; I260-Y469 HydrophobicContact CG1-CE2 3.93Å; I271-Y469 HydrophobicContact CD1-CD2 3.78Å; I271-Y469 HydrophobicContact CD1-CE2 3.78Å; V465-Y469 WeakPolarHBondContact O-CB 2.9Å; V465-Y469 PolarHBondContact O-N 3.24Å; Y469-K471 PolarHBondContact O-N 3.14Å; Y469-I472 HydrophobicContact CD2-CD1 4.46Å; Y469-I472 HydrophobicContact CE2-CD1 4.46Å; Y469-I472 WeakPolarHBondContact O-CG1 3.33Å; Y469-I472 PolarHBondContact O-N 2.77Å; Y469-L473 HydrophobicContact CD1-CD1 4.18Å; Y469-L473 HydrophobicContact CD1-CD2 4.42Å; Y469-L473 HydrophobicContact CD1-CG 4.31Å; Y469-L473 HydrophobicContact CE1-CD1 4.04Å; Y469-L473 HydrophobicContact CE1-CD2 3.83Å; Y469-L473 HydrophobicContact CE1-CG 4.16Å
470	K	98.1	Very high	95.1	Very high	84 Å²	84	41.9 Å²	41.9	37%	0.365	20%	0.203	S	C	.	.	H	α-helix	trans	-54.1	-37.8	174.4	-174.8	-162.2	-174.4	175.5	0	112.7	P233 V235 L466 R468 I472 L473 P476	P233-K470 HydrophobicContact CB-CD 3.63Å; P233-K470 HydrophobicContact CG-CD 4.02Å; V235-K470 HydrophobicContact CG2-CB 4.24Å; L466-K470 PolarHBondContact O-N 2.87Å; R468-K470 VanDerWaalsContact C-N 3.28Å; R468-K470 PolarHBondContact O-N 3.17Å; K470-I472 VanDerWaalsContact C-N 3.34Å; K470-I472 PolarHBondContact O-N 3.13Å; K470-L473 PolarHBondContact O-N 3Å; K470-P476 HydrophobicContact CG-CB 4.3Å
471	K	98.2	Very high	94.1	Very high	121 Å²	121	47.3 Å²	47.3	53%	0.526	23%	0.232	S	C	.	.	H	α-helix	trans	-68.9	-30.6	-175.5	-62.8	179.5	-179.5	-178.3	0	112.8	E169 K170 R468 Y469 L473	E169-K471 WeakPolarHBondContact CA-O 3.4Å; E169-K471 WeakPolarHBondContact CG-O 3.48Å; K170-K471 PolarHBondContact N-O 3.18Å; R468-K471 WeakPolarHBondContact O-CB 3.24Å; R468-K471 PolarHBondContact O-N 2.9Å; Y469-K471 PolarHBondContact O-N 3.14Å; K471-L473 PolarHBondContact O-N 3Å
472	I	98.2	Very high	93.5	Very high	7 Å²	7	49.8 Å²	49.8	4%	0.036	24%	0.244	C	C	.	.	H	α-helix	trans	-75.4	-16.9	-179.2	69.6	162.6	0	0	0	112.2	L164 W167 K170 S171 V172 P258 Y469 K470	L164-I472 HydrophobicContact CD2-CD1 3.86Å; L164-I472 HydrophobicContact CD2-CG1 4.49Å; L164-I472 HydrophobicContact CD2-CG2 4.2Å; W167-I472 HydrophobicContact CB-CB 3.95Å; W167-I472 HydrophobicContact CB-CD1 3.66Å; W167-I472 HydrophobicContact CB-CG1 4.38Å; W167-I472 HydrophobicContact CB-CG2 4.12Å; W167-I472 HydrophobicContact CD2-CD1 4.31Å; W167-I472 HydrophobicContact CE3-CD1 4.48Å; W167-I472 HydrophobicContact CG-CD1 3.97Å; W167-I472 WeakPolarHBondContact O-CG2 3.33Å; K170-I472 CarbonylContact C-O 3.59Å; S171-I472 PolarHBondContact N-O 2.67Å; V172-I472 WeakPolarHBondContact CB-O 3.35Å; V172-I472 HydrophobicContact CG2-CB 4.34Å; V172-I472 HydrophobicContact CG2-CD1 3.96Å; V172-I472 HydrophobicContact CG2-CG1 4.21Å; V172-I472 PolarHBondContact N-O 3.01Å; P258-I472 HydrophobicContact CB-CD1 3.73Å; P258-I472 HydrophobicContact CG-CD1 4.09Å; Y469-I472 HydrophobicContact CD2-CD1 4.46Å; Y469-I472 HydrophobicContact CE2-CD1 4.46Å; Y469-I472 WeakPolarHBondContact O-CG1 3.33Å; Y469-I472 PolarHBondContact O-N 2.77Å; K470-I472 VanDerWaalsContact C-N 3.34Å; K470-I472 PolarHBondContact O-N 3.13Å
473	L	98.2	Very high	92.9	Very high	5 Å²	5	53.1 Å²	53.1	3%	0.026	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-79.4	135.7	-179.1	-56.1	-178.6	0	0	0	112.1	V172 F174 V235 D236 Y469 K470 K471	V172-L473 HydrophobicContact CB-CD2 4.02Å; V172-L473 HydrophobicContact CG1-CD2 3.82Å; F174-L473 HydrophobicContact CD2-CD2 3.73Å; V235-L473 HydrophobicContact CG2-CD1 3.86Å; D236-L473 WeakPolarHBondContact O-CD1 3.32Å; Y469-L473 HydrophobicContact CD1-CD1 4.18Å; Y469-L473 HydrophobicContact CD1-CD2 4.42Å; Y469-L473 HydrophobicContact CD1-CG 4.31Å; Y469-L473 HydrophobicContact CE1-CD1 4.04Å; Y469-L473 HydrophobicContact CE1-CD2 3.83Å; Y469-L473 HydrophobicContact CE1-CG 4.16Å; K470-L473 PolarHBondContact O-N 3Å; K471-L473 PolarHBondContact O-N 3Å
474	Q	97.3	Very high	92.4	Very high	91 Å²	91	59.6 Å²	59.6	43%	0.425	30%	0.298	S	S	.	.	S	Bend	trans	-61.9	-46.1	169.2	-74.2	176.5	-5.2	0	0	111.3	K170 V172	K170-Q474 WeakPolarHBondContact O-CG 3.2Å; V172-Q474 PolarHBondContact O-N 3.23Å
475	H	95.2	Very high	92.2	Very high	131 Å²	131	59.9 Å²	59.9	61%	0.606	30%	0.299	S	S	*	.	S	Bend	trans	-129.5	128.3	173.7	-62.7	-66.4	0	0	0	108.7	L477	H475-L477 PolarHBondContact O-N 3.35Å
476	P	92.5	Very high	92	Very high	48 Å²	48	65 Å²	65	31%	0.312	32%	0.323	S	S	.	.	S	Bend	trans	-66.2	-28	-177	23.9	-32.4	0	0	0	112.9	D234 V235 D236 K470	D234-P476 VanDerWaalsContact O-CB 3.25Å; D234-P476 WeakPolarHBondContact O-CB 3.28Å; V235-P476 CarbonylContact C-O 3.31Å; V235-P476 WeakPolarHBondContact CA-O 3.24Å; D236-P476 PolarHBondContact N-O 3.24Å; K470-P476 HydrophobicContact CG-CB 4.3Å
477	L	92.4	Very high	91.9	Very high	36 Å²	36	70.5 Å²	70.5	19%	0.188	35%	0.347	C	S	.	.	S	Bend	trans	-125.4	130.4	177.3	-63.3	-179.9	0	0	0	110.3	R198 R200 D234 D236 H475	R198-L477 HydrophobicContact CG-CD2 4.11Å; R200-L477 HydrophobicContact CB-CD1 4.2Å; R200-L477 HydrophobicContact CG-CD1 4.01Å; D234-L477 HydrophobicContact CB-CD1 3.84Å; D234-L477 HydrophobicContact CB-CD2 4.34Å; D234-L477 HydrophobicContact CB-CG 4Å; D236-L477 WeakPolarHBondContact OD2-CA 3.45Å; H475-L477 PolarHBondContact O-N 3.35Å
478	L	86.1	Confident	91.7	Very high	34 Å²	34	69.9 Å²	69.9	18%	0.178	34%	0.343	C	S	.	.			trans	-77	135.6	171.3	-173.3	80	0	0	0	111.4	F174 K175 R198 D236 F480	F174-L478 HydrophobicContact CD1-CB 4.44Å; K175-L478 HydrophobicContact CB-CD1 3.59Å; K175-L478 HydrophobicContact CG-CD1 4.34Å; R198-L478 PolarHBondContact NH1-O 2.74Å; R198-L478 VanDerWaalsContact NH2-N 3.12Å; R198-L478 PolarHBondContact NH2-O 2.93Å; D236-L478 PolarHBondContact OD2-N 3.32Å; L478-F480 HydrophobicContact CB-CD1 3.55Å; L478-F480 HydrophobicContact CB-CE1 3.78Å; L478-F480 HydrophobicContact CD2-CB 4.35Å; L478-F480 HydrophobicContact CD2-CD1 3.36Å; L478-F480 HydrophobicContact CD2-CE1 3.96Å; L478-F480 HydrophobicContact CD2-CG 4.2Å; L478-F480 HydrophobicContact CG-CD1 3.59Å; L478-F480 HydrophobicContact CG-CE1 4.25Å; L478-F480 VanDerWaalsContact O-CD1 3.28Å; L478-F480 WeakPolarHBondContact O-CD1 3.2Å; L478-F480 PolarHBondContact O-N 3.13Å
479	N	80.7	Confident	91.2	Very high	169 Å²	169	72.2 Å²	72.2	90%	0.904	37%	0.37	S	S	*	.			trans	-80.5	99.5	172.9	-75.7	-22.1	0	0	0	110.4
480	F	78.9	Confident	90	Very high	61 Å²	61	75.9 Å²	75.9	27%	0.268	39%	0.387	S	S	.	.			trans	-146.7	170.7	177	65.2	-97.3	0	0	0	112.5	H196 L478 M482 F485	H196-F480 AromaticContact CE1-CE1 3.74Å; H196-F480 AromaticContact CE1-CZ 3.71Å; L478-F480 HydrophobicContact CB-CD1 3.55Å; L478-F480 HydrophobicContact CB-CE1 3.78Å; L478-F480 HydrophobicContact CD2-CB 4.35Å; L478-F480 HydrophobicContact CD2-CD1 3.36Å; L478-F480 HydrophobicContact CD2-CE1 3.96Å; L478-F480 HydrophobicContact CD2-CG 4.2Å; L478-F480 HydrophobicContact CG-CD1 3.59Å; L478-F480 HydrophobicContact CG-CE1 4.25Å; L478-F480 VanDerWaalsContact O-CD1 3.28Å; L478-F480 WeakPolarHBondContact O-CD1 3.2Å; L478-F480 PolarHBondContact O-N 3.13Å; F480-M482 HydrophobicContact CE2-SD 3.9Å; F480-M482 HydrophobicContact CZ-SD 4.32Å; F480-M482 PolarHBondContact O-N 2.77Å; F480-F485 HydrophobicContact CD2-CE2 4.16Å; F480-F485 AromaticContact CE2-CD2 3.47Å; F480-F485 HydrophobicContact CE2-CD2 3.47Å; F480-F485 VanDerWaalsContact CE2-CD2 3.47Å; F480-F485 AromaticContact CE2-CE2 3.07Å; F480-F485 HydrophobicContact CE2-CE2 3.07Å; F480-F485 HydrophobicContact CE2-CG 4.4Å; F480-F485 AromaticContact CE2-CZ 3.73Å; F480-F485 HydrophobicContact CE2-CZ 3.73Å; F480-F485 HydrophobicContact CZ-CD2 4.04Å; F480-F485 HydrophobicContact CZ-CE1 4.24Å; F480-F485 AromaticContact CZ-CE2 3.31Å; F480-F485 HydrophobicContact CZ-CE2 3.31Å; F480-F485 AromaticContact CZ-CZ 3.43Å; F480-F485 HydrophobicContact CZ-CZ 3.43Å; F480-F485 VanDerWaalsContact CZ-CZ 3.43Å
481	N	75.6	Confident	88.5	Confident	117 Å²	117	80.7 Å²	80.7	63%	0.626	41%	0.41	S	S	*	.			trans	-69.2	116.3	179.3	-172.5	-5.7	0	0	0	112.5	S483	N481-S483 PolarHBondContact ND2-OG 2.83Å; N481-S483 VanDerWaalsContact ND2-OG 3.13Å; N481-S483 PolarHBondContact O-N 3.17Å; N481-S483 VanDerWaalsContact OD1-CB 3.24Å; N481-S483 WeakPolarHBondContact OD1-CB 3.45Å; N481-S483 PolarHBondContact OD1-N 2.66Å; N481-S483 PolarHBondContact OD1-OG 2.67Å
482	M	86.4	Confident	86.4	Confident	58 Å²	58	81.1 Å²	81.1	29%	0.286	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-71.6	-0.2	177.3	-67.9	-63.7	-66.3	0	0	114.1	R198 F205 F480 H484 F485	R198-M482 PolarHBondContact NH1-SD 3.35Å; F205-M482 HydrophobicContact CB-CE 3.86Å; F205-M482 HydrophobicContact CD1-CE 3.77Å; F205-M482 HydrophobicContact CD2-CE 4.16Å; F205-M482 HydrophobicContact CE1-CE 4.34Å; F205-M482 HydrophobicContact CG-CE 3.67Å; F480-M482 HydrophobicContact CE2-SD 3.9Å; F480-M482 HydrophobicContact CZ-SD 4.32Å; F480-M482 PolarHBondContact O-N 2.77Å; M482-H484 PolarHBondContact O-N 3.46Å; M482-H484 VanDerWaalsContact O-N 3.12Å; M482-F485 HydrophobicContact CE-CB 3.65Å; M482-F485 HydrophobicContact CE-CD1 4.19Å; M482-F485 HydrophobicContact CE-CG 3.9Å; M482-F485 WeakPolarHBondContact O-CB 3.4Å; M482-F485 PolarHBondContact O-N 2.78Å; M482-F485 HydrophobicContact SD-CB 4.38Å; M482-F485 HydrophobicContact SD-CD2 4.43Å; M482-F485 HydrophobicContact SD-CG 4.24Å
483	S	85.7	Confident	84.3	Confident	75 Å²	75	82.4 Å²	82.4	52%	0.524	44%	0.435	S	S	.	.	G	3₁₀ helix	trans	-57.4	-27.1	-178.3	61	0	0	0	0	114.5	N481	N481-S483 PolarHBondContact ND2-OG 2.83Å; N481-S483 VanDerWaalsContact ND2-OG 3.13Å; N481-S483 PolarHBondContact O-N 3.17Å; N481-S483 VanDerWaalsContact OD1-CB 3.24Å; N481-S483 WeakPolarHBondContact OD1-CB 3.45Å; N481-S483 PolarHBondContact OD1-N 2.66Å; N481-S483 PolarHBondContact OD1-OG 2.67Å
484	H	87.2	Confident	82.2	Confident	136 Å²	136	92.1 Å²	92.1	63%	0.63	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-96.1	1.6	179.3	-59.8	174	0	0	0	113.1	K207 M482	K207-H484 HydrophobicContact CD-CB 4.14Å; M482-H484 PolarHBondContact O-N 3.46Å; M482-H484 VanDerWaalsContact O-N 3.12Å
485	F	93.8	Very high	80.4	Confident	23 Å²	23	93 Å²	93	10%	0.101	48%	0.48	C	S	.	.	P	Polyproline II helix	trans	-98	129.8	177.4	-84.9	-106.5	0	0	0	109.8	H196 R198 F205 K206 K207 F480 M482	H196-F485 HydrophobicContact CB-CZ 4.42Å; H196-F485 AromaticContact CE1-CZ 3.48Å; H196-F485 VanDerWaalsContact CE1-CZ 3.48Å; H196-F485 WeakPolarHBondContact CE1-CZ 3.35Å; H196-F485 AromaticContact CG-CZ 3.73Å; H196-F485 AromaticContact ND1-CZ 3.41Å; H196-F485 WeakPolarHBondContact ND1-CZ 3.3Å; H196-F485 AromaticContact NE2-CZ 3.83Å; R198-F485 HydrophobicContact CB-CD1 4.31Å; R198-F485 HydrophobicContact CB-CE1 3.96Å; F205-F485 HydrophobicContact CB-CB 4.22Å; F205-F485 HydrophobicContact CB-CD1 3.71Å; F205-F485 HydrophobicContact CB-CG 4.41Å; K206-F485 WeakPolarHBondContact O-CA 3.2Å; K207-F485 HydrophobicContact CB-CD1 4.29Å; K207-F485 HydrophobicContact CB-CD2 3.98Å; K207-F485 HydrophobicContact CB-CE1 4Å; K207-F485 HydrophobicContact CB-CE2 3.62Å; K207-F485 HydrophobicContact CB-CG 4.28Å; K207-F485 HydrophobicContact CB-CZ 3.64Å; K207-F485 HydrophobicContact CD-CD2 4.5Å; K207-F485 HydrophobicContact CD-CE2 3.9Å; K207-F485 HydrophobicContact CD-CZ 4.47Å; K207-F485 HydrophobicContact CG-CE2 4.38Å; F480-F485 HydrophobicContact CD2-CE2 4.16Å; F480-F485 AromaticContact CE2-CD2 3.47Å; F480-F485 HydrophobicContact CE2-CD2 3.47Å; F480-F485 VanDerWaalsContact CE2-CD2 3.47Å; F480-F485 AromaticContact CE2-CE2 3.07Å; F480-F485 HydrophobicContact CE2-CE2 3.07Å; F480-F485 HydrophobicContact CE2-CG 4.4Å; F480-F485 AromaticContact CE2-CZ 3.73Å; F480-F485 HydrophobicContact CE2-CZ 3.73Å; F480-F485 HydrophobicContact CZ-CD2 4.04Å; F480-F485 HydrophobicContact CZ-CE1 4.24Å; F480-F485 AromaticContact CZ-CE2 3.31Å; F480-F485 HydrophobicContact CZ-CE2 3.31Å; F480-F485 AromaticContact CZ-CZ 3.43Å; F480-F485 HydrophobicContact CZ-CZ 3.43Å; F480-F485 VanDerWaalsContact CZ-CZ 3.43Å; M482-F485 HydrophobicContact CE-CB 3.65Å; M482-F485 HydrophobicContact CE-CD1 4.19Å; M482-F485 HydrophobicContact CE-CG 3.9Å; M482-F485 WeakPolarHBondContact O-CB 3.4Å; M482-F485 PolarHBondContact O-N 2.78Å; M482-F485 HydrophobicContact SD-CB 4.38Å; M482-F485 HydrophobicContact SD-CD2 4.43Å; M482-F485 HydrophobicContact SD-CG 4.24Å
486	E	94.9	Very high	79.3	Confident	107 Å²	107	89.3 Å²	89.3	50%	0.5	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	141	164.7	63.6	-178.9	176.7	0	0	109.9	F205 K206 V488	F205-E486 CarbonylContact C-O 3.6Å; F205-E486 VanDerWaalsContact CA-O 3.23Å; F205-E486 WeakPolarHBondContact CA-O 3.45Å; K206-E486 WeakPolarHBondContact CE-OE1 3.4Å; K206-E486 HydrophobicContact CG-CG 3.72Å; K206-E486 PolarHBondContact N-O 3.41Å; K206-E486 IonicContact NZ-OE1 3.61Å; K206-E486 PolarHBondContact O-N 3.31Å; E486-V488 PolarHBondContact O-N 2.89Å
487	K	95.4	Very high	78	Confident	122 Å²	122	91.6 Å²	91.6	53%	0.53	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	127	169	-173.3	-179.6	179.4	-174.1	0	108	F205 A489	F205-K487 HydrophobicContact CD1-CB 3.88Å; F205-K487 HydrophobicContact CD1-CG 4.18Å; F205-K487 HydrophobicContact CE1-CB 3.93Å; F205-K487 HydrophobicContact CE1-CD 4.36Å; F205-K487 HydrophobicContact CE1-CG 3.98Å; K487-A489 PolarHBondContact O-N 3.05Å; K487-A489 VanDerWaalsContact O-N 3.07Å
488	V	95.4	Very high	77.4	Confident	10 Å²	10	96.3 Å²	96.3	6%	0.061	49%	0.491	C	S	.	.			trans	-68.9	110.8	173.3	-176.1	0	0	0	0	107.7	Y197 I204 K206 D220 L224 E486 Q490	Y197-V488 HydrophobicContact CE1-CG2 4.28Å; I204-V488 HydrophobicContact CB-CB 4.08Å; I204-V488 HydrophobicContact CB-CG2 4.19Å; I204-V488 HydrophobicContact CG2-CB 4.02Å; I204-V488 HydrophobicContact CG2-CG2 3.61Å; I204-V488 PolarHBondContact O-N 3.36Å; K206-V488 HydrophobicContact CB-CG2 4.12Å; K206-V488 HydrophobicContact CD-CG2 3.77Å; K206-V488 HydrophobicContact CG-CG2 3.8Å; D220-V488 HydrophobicContact CB-CG1 3.8Å; L224-V488 HydrophobicContact CD1-CG1 3.86Å; L224-V488 HydrophobicContact CD2-CG1 4.11Å; L224-V488 HydrophobicContact CG-CG1 3.99Å; E486-V488 PolarHBondContact O-N 2.89Å; V488-Q490 PolarHBondContact O-N 2.97Å
489	A	86.2	Confident	77.5	Confident	81 Å²	81	94.7 Å²	94.7	67%	0.669	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-67.4	120.9	-173.9	0	0	0	0	0	111.2	K487	K487-A489 PolarHBondContact O-N 3.05Å; K487-A489 VanDerWaalsContact O-N 3.07Å
490	Q	73.9	Confident	77.7	Confident	78 Å²	78	87.5 Å²	87.5	36%	0.364	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-72.1	135.4	160.9	-72.6	175.2	-13.9	0	0	108.3	L224 V488 P492	L224-Q490 HydrophobicContact CD2-CB 4.35Å; L224-Q490 HydrophobicContact CD2-CG 3.42Å; L224-Q490 VanDerWaalsContact CD2-CG 3.42Å; V488-Q490 PolarHBondContact O-N 2.97Å; Q490-P492 WeakPolarHBondContact O-CD 3.36Å
491	Q	65.5	Low	78	Confident	184 Å²	184	86.4 Å²	86.4	86%	0.86	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-62.2	126.2	172.5	-73.3	-164	-16.1	0	0	109.5	S493	Q491-S493 PolarHBondContact O-N 2.91Å
492	P	55.1	Low	78.3	Confident	131 Å²	131	82.7 Å²	82.7	85%	0.851	43%	0.427	S	S	*	.			trans	-65.6	107	177.3	23.4	-30.1	0	0	0	109.3	Q490 K494	Q490-P492 WeakPolarHBondContact O-CD 3.36Å; P492-K494 PolarHBondContact O-N 3.23Å
493	S	54.7	Low	77.6	Confident	33 Å²	33	85.3 Å²	85.3	23%	0.231	43%	0.434	C	S	.	.			trans	-89.7	104	176.4	160.5	0	0	0	0	108.5	Q491 K495 Q496	Q491-S493 PolarHBondContact O-N 2.91Å; S493-K495 PolarHBondContact O-N 3.3Å; S493-K495 PolarHBondContact OG-N 3.22Å; S493-Q496 WeakPolarHBondContact O-CG 3.43Å; S493-Q496 PolarHBondContact O-N 3.1Å; S493-Q496 PolarHBondContact OG-N 2.88Å
494	K	53.3	Low	77.2	Confident	209 Å²	209	87.1 Å²	87.1	91%	0.909	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-11.1	164.5	-72.8	-173.6	177.9	-177.8	0	112.6	P492	P492-K494 PolarHBondContact O-N 3.23Å
495	K	59.8	Low	76.6	Confident	111 Å²	111	85.1 Å²	85.1	48%	0.483	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	2	-177.2	-65.2	-177.3	174.3	-173.9	0	114.5	I136 S493 T497 R498	I136-K495 HydrophobicContact CD1-CB 3.77Å; I136-K495 HydrophobicContact CD1-CD 3.79Å; I136-K495 HydrophobicContact CD1-CG 4.42Å; S493-K495 PolarHBondContact O-N 3.3Å; S493-K495 PolarHBondContact OG-N 3.22Å; K495-T497 PolarHBondContact O-N 2.82Å; K495-T497 VanDerWaalsContact O-N 3.15Å; K495-R498 PolarHBondContact O-N 3.19Å
496	Q	71.8	Confident	75.2	Confident	52 Å²	52	89.4 Å²	89.4	24%	0.243	44%	0.443	C	S	.	.	G	3₁₀ helix	trans	-58.4	-26.5	176.6	-68.1	-60.6	-16.2	0	0	112.9	I136 S493 R498 C499 V502	I136-Q496 PolarHBondContact O-NE2 3.39Å; S493-Q496 WeakPolarHBondContact O-CG 3.43Å; S493-Q496 PolarHBondContact O-N 3.1Å; S493-Q496 PolarHBondContact OG-N 2.88Å; Q496-R498 PolarHBondContact O-N 2.86Å; Q496-C499 WeakPolarHBondContact O-CB 3.45Å; Q496-C499 PolarHBondContact O-N 3.31Å; Q496-C499 PolarHBondContact O-SG 3.47Å; Q496-C499 PolarHBondContact OE1-SG 2.89Å; Q496-V502 WeakPolarHBondContact O-CG2 3.47Å
497	T	66	Low	73.8	Confident	97 Å²	97	89.1 Å²	89.1	60%	0.595	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-61.7	-17	-177.1	55.1	0	0	0	0	114.9	K495	K495-T497 PolarHBondContact O-N 2.82Å; K495-T497 VanDerWaalsContact O-N 3.15Å
498	R	79.2	Confident	72.6	Confident	135 Å²	135	87.7 Å²	87.7	51%	0.509	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-95.3	-8.6	177.3	-66.9	-172.7	178.2	-167.9	-6.7	113.7	E102 T103 K495 Q496	E102-R498 IonicContact OE2-CZ 3.71Å; E102-R498 IonicContact OE2-NH1 2.63Å; E102-R498 PolarHBondContact OE2-NH1 3.46Å; T103-R498 VanDerWaalsContact CB-O 3.23Å; T103-R498 WeakPolarHBondContact CB-O 3.4Å; T103-R498 WeakPolarHBondContact CG2-O 3.28Å; T103-R498 PolarHBondContact OG1-O 2.97Å; K495-R498 PolarHBondContact O-N 3.19Å; Q496-R498 PolarHBondContact O-N 2.86Å
499	C	88.6	Confident	71.6	Confident	0 Å²	0	94.4 Å²	94.4	0%	0	47%	0.471	C	S	.	.	S	Bend	trans	-70.6	148.2	-175.1	-59.4	0	0	0	0	112.3	D133 C137 Q496 C501 V502 R503	D133-C499 WeakPolarHBondContact OD1-CA 3.41Å; C137-C499 WeakPolarHBondContact CA-SG 3.44Å; C137-C499 HydrophobicContact CB-CB 3.64Å; C137-C499 WeakPolarHBondContact CB-SG 3.38Å; C137-C499 WeakPolarHBondContact SG-CB 3.33Å; C137-C499 CovalentContact SG-SG 2.04Å; C137-C499 PolarHBondContact SG-SG 3.04Å; Q496-C499 WeakPolarHBondContact O-CB 3.45Å; Q496-C499 PolarHBondContact O-N 3.31Å; Q496-C499 PolarHBondContact O-SG 3.47Å; Q496-C499 PolarHBondContact OE1-SG 2.89Å; C499-C501 VanDerWaalsContact C-N 3.29Å; C499-C501 PolarHBondContact O-N 3.13Å; C499-V502 PolarHBondContact O-N 2.87Å; C499-V502 VanDerWaalsContact O-N 3.17Å; C499-R503 PolarHBondContact O-N 2.89Å
500	S	84.8	Confident	70.8	Confident	18 Å²	18	98.5 Å²	98.5	13%	0.126	48%	0.476	C	S	.	.	H	α-helix	trans	-57.7	-40	-174.1	69.8	0	0	0	0	112.6	D133 V502 R503 K504	D133-S500 PolarHBondContact OD1-N 2.73Å; D133-S500 WeakPolarHBondContact OD2-CB 3.49Å; D133-S500 PolarHBondContact OD2-N 2.93Å; D133-S500 PolarHBondContact OD2-OG 3.33Å; S500-V502 PolarHBondContact O-N 2.81Å; S500-R503 WeakPolarHBondContact O-CB 3.43Å; S500-R503 PolarHBondContact O-N 3.36Å; S500-K504 PolarHBondContact O-N 2.98Å
501	C	85.5	Confident	70.3	Confident	37 Å²	37	104.2 Å²	104.2	25%	0.25	51%	0.508	C	S	.	.	H	α-helix	trans	-65.5	-36.3	179.8	57.9	0	0	0	0	113.2	D138 C139 C499 K504 I505	D138-C501 PolarHBondContact O-SG 3.4Å; C139-C501 WeakPolarHBondContact CA-SG 3.47Å; C139-C501 HydrophobicContact CB-CB 3.63Å; C139-C501 WeakPolarHBondContact CB-SG 3.4Å; C139-C501 WeakPolarHBondContact SG-CB 3.28Å; C139-C501 PolarHBondContact SG-N 3.2Å; C139-C501 VanDerWaalsContact SG-N 3.4Å; C139-C501 CovalentContact SG-SG 2.04Å; C139-C501 PolarHBondContact SG-SG 3.38Å; C499-C501 VanDerWaalsContact C-N 3.29Å; C499-C501 PolarHBondContact O-N 3.13Å; C501-K504 PolarHBondContact O-N 3.25Å; C501-I505 WeakPolarHBondContact O-CG1 3.2Å; C501-I505 PolarHBondContact O-N 3.3Å
502	V	81.2	Confident	70.5	Confident	40 Å²	40	100.2 Å²	100.2	24%	0.242	49%	0.491	C	S	.	.	H	α-helix	trans	-69.7	-36.9	175.5	-180	0	0	0	0	110.8	Q496 C499 S500 K506	Q496-V502 WeakPolarHBondContact O-CG2 3.47Å; C499-V502 PolarHBondContact O-N 2.87Å; C499-V502 VanDerWaalsContact O-N 3.17Å; S500-V502 PolarHBondContact O-N 2.81Å; V502-K506 WeakPolarHBondContact O-CG 3.24Å; V502-K506 PolarHBondContact O-N 2.8Å
503	R	72.2	Confident	71.3	Confident	113 Å²	113	98.6 Å²	98.6	43%	0.426	47%	0.472	S	S	.	.	H	α-helix	trans	-66	-40.9	175.1	-72.7	179.4	157.3	-171	-5.8	112.1	C499 S500 K506 Q507	C499-R503 PolarHBondContact O-N 2.89Å; S500-R503 WeakPolarHBondContact O-CB 3.43Å; S500-R503 PolarHBondContact O-N 3.36Å; R503-K506 PolarHBondContact O-N 3.3Å; R503-Q507 WeakPolarHBondContact O-CG 3.38Å; R503-Q507 PolarHBondContact O-N 3.19Å
504	K	76	Confident	72.2	Confident	112 Å²	112	102.2 Å²	102.2	49%	0.487	49%	0.485	S	S	.	.	H	α-helix	trans	-60.3	-47.5	177.4	-170.3	-177.4	175.4	-173.3	0	111.4	L129 S500 C501 K506 Q507 D508	L129-K504 HydrophobicContact CD1-CB 4.21Å; S500-K504 PolarHBondContact O-N 2.98Å; C501-K504 PolarHBondContact O-N 3.25Å; K504-K506 VanDerWaalsContact C-N 3.29Å; K504-K506 PolarHBondContact O-N 2.94Å; K504-Q507 PolarHBondContact O-N 2.77Å; K504-Q507 VanDerWaalsContact O-N 3.14Å; K504-D508 WeakPolarHBondContact O-CB 3.4Å; K504-D508 VanDerWaalsContact O-CG 3.28Å; K504-D508 PolarHBondContact O-N 2.86Å
505	I	75.1	Confident	73.4	Confident	94 Å²	94	95.9 Å²	95.9	48%	0.482	46%	0.46	S	S	.	.	H	α-helix	trans	-56.8	-44.8	176.9	-66.5	164.4	0	0	0	110.9	C501 Q507 D508 E509	C501-I505 WeakPolarHBondContact O-CG1 3.2Å; C501-I505 PolarHBondContact O-N 3.3Å; I505-Q507 PolarHBondContact O-N 2.84Å; I505-D508 PolarHBondContact O-N 3.32Å; I505-E509 HydrophobicContact CG2-CG 4.4Å; I505-E509 WeakPolarHBondContact O-CB 3.41Å; I505-E509 VanDerWaalsContact O-CG 3.32Å; I505-E509 WeakPolarHBondContact O-CG 3.19Å; I505-E509 PolarHBondContact O-N 3.49Å
506	K	65.5	Low	74.2	Confident	113 Å²	113	95 Å²	95	49%	0.491	46%	0.459	S	S	.	.	H	α-helix	trans	-64	-40.2	177.3	-70.7	-176.9	175.3	-165.5	0	113.4	V502 R503 K504 D508 E509 E510	V502-K506 WeakPolarHBondContact O-CG 3.24Å; V502-K506 PolarHBondContact O-N 2.8Å; R503-K506 PolarHBondContact O-N 3.3Å; K504-K506 VanDerWaalsContact C-N 3.29Å; K504-K506 PolarHBondContact O-N 2.94Å; K506-D508 VanDerWaalsContact C-N 3.34Å; K506-E509 PolarHBondContact O-N 2.88Å; K506-E510 WeakPolarHBondContact O-CG 3.08Å; K506-E510 PolarHBondContact O-N 2.71Å; K506-E510 VanDerWaalsContact O-N 3.07Å
507	Q	63.9	Low	74.4	Confident	101 Å²	101	97.9 Å²	97.9	47%	0.472	47%	0.473	S	S	.	.	H	α-helix	trans	-66.1	-38.9	176.3	-74.9	-179.7	-27.7	0	0	111.6	R503 K504 I505 E509 E510 L511	R503-Q507 WeakPolarHBondContact O-CG 3.38Å; R503-Q507 PolarHBondContact O-N 3.19Å; K504-Q507 PolarHBondContact O-N 2.77Å; K504-Q507 VanDerWaalsContact O-N 3.14Å; I505-Q507 PolarHBondContact O-N 2.84Å; Q507-E509 VanDerWaalsContact C-N 3.32Å; Q507-E510 PolarHBondContact O-N 3.29Å; Q507-L511 WeakPolarHBondContact O-CD1 3.39Å; Q507-L511 WeakPolarHBondContact O-CG 3.22Å; Q507-L511 PolarHBondContact O-N 3.28Å
508	D	71.7	Confident	75	Confident	93 Å²	93	97.9 Å²	97.9	50%	0.497	46%	0.464	S	S	.	.	H	α-helix	trans	-71.7	-25.4	177.2	-65.5	-19.2	0	0	0	112	K504 I505 K506	K504-D508 WeakPolarHBondContact O-CB 3.4Å; K504-D508 VanDerWaalsContact O-CG 3.28Å; K504-D508 PolarHBondContact O-N 2.86Å; I505-D508 PolarHBondContact O-N 3.32Å; K506-D508 VanDerWaalsContact C-N 3.34Å
509	E	74.6	Confident	74.6	Confident	150 Å²	150	95.1 Å²	95.1	70%	0.701	46%	0.461	S	S	*	.	H	α-helix	trans	-81.9	-25.3	173.8	-76	173.9	176.6	0	0	113.6	I505 K506 Q507	I505-E509 HydrophobicContact CG2-CG 4.4Å; I505-E509 WeakPolarHBondContact O-CB 3.41Å; I505-E509 VanDerWaalsContact O-CG 3.32Å; I505-E509 WeakPolarHBondContact O-CG 3.19Å; I505-E509 PolarHBondContact O-N 3.49Å; K506-E509 PolarHBondContact O-N 2.88Å; Q507-E509 VanDerWaalsContact C-N 3.32Å
510	E	69.4	Low	73.5	Confident	168 Å²	168	103 Å²	103	79%	0.785	50%	0.499	S	S	*	.	H	α-helix	trans	-83.5	-22.5	177.5	-76.7	174.2	-174.5	0	0	113.2	K506 Q507	K506-E510 WeakPolarHBondContact O-CG 3.08Å; K506-E510 PolarHBondContact O-N 2.71Å; K506-E510 VanDerWaalsContact O-N 3.07Å; Q507-E510 PolarHBondContact O-N 3.29Å
511	L	61.8	Low	72.4	Confident	197 Å²	197	110.7 Å²	110.7	100%	1.031	53%	0.533	S	S	*	.			trans	-84.7	0	174.5	-78.5	162.6	0	0	0	111.2	Q507	Q507-L511 WeakPolarHBondContact O-CD1 3.39Å; Q507-L511 WeakPolarHBondContact O-CG 3.22Å; Q507-L511 PolarHBondContact O-N 3.28Å

Retrieved 511 of 511 residues in 102.7 ms (Link to these results)

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