A0A096NER7_PAPAN Loading...

Platelet glycoprotein 4

AlphaFold DB (A0A2K5YDQ0), UniProt , Accession A0A096NER7, Species PAPAN (Papio anubis, Olive baboon), Gene CD36, Length 472 aa.

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(Predicted Aligned Error values between residue pairs)

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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	45.2	Very low	72.3	Confident	241 Å²	241	95.8 Å²	95.8	100%	1.187	55%	0.552	S	S	*	*				0	21.5	0	-75.8	173.2	166.7	0	0	114.1
2	G	51.1	Low	73.7	Confident	54 Å²	54	88.6 Å²	88.6	56%	0.557	51%	0.514	S	S	*	.			trans	-91.7	-13	-177.1	0	0	0	0	0	116.4
3	C	52.5	Low	74.9	Confident	115 Å²	115	82.2 Å²	82.2	78%	0.777	48%	0.478	S	S	*	.	H	α-helix	trans	-73	-37.9	-173.3	-132.3	0	0	0	0	112.9	C7	C3-C7 WeakPolarHBondContact O-CB 3.38Å; C3-C7 PolarHBondContact O-N 3.23Å
4	D	66.2	Low	76.1	Confident	144 Å²	144	82.2 Å²	82.2	77%	0.77	48%	0.479	S	S	*	.	H	α-helix	trans	-68.2	-39.4	-176.8	-92.4	-33.4	0	0	0	113.6	C7 G8	D4-C7 PolarHBondContact O-N 3.44Å; D4-G8 PolarHBondContact O-N 2.94Å
5	R	73.9	Confident	77.1	Confident	154 Å²	154	82.7 Å²	82.7	58%	0.581	48%	0.478	S	S	*	.	H	α-helix	trans	-70.8	-42.3	-174.7	-163.7	178.5	74.6	-177.6	0.7	112.2	C7 G8 L9 C466	R5-C7 VanDerWaalsContact C-N 3.33Å; R5-G8 PolarHBondContact O-N 3.41Å; R5-L9 WeakPolarHBondContact O-CG 3.43Å; R5-L9 PolarHBondContact O-N 3.12Å; R5-C466 PolarHBondContact NH2-SG 3.23Å; R5-C466 VanDerWaalsContact NH2-SG 3.44Å
6	N	78.8	Confident	78	Confident	51 Å²	51	77.5 Å²	77.5	27%	0.273	45%	0.448	S	S	.	.	H	α-helix	trans	-67.6	-37.1	176.7	-75	-9.1	0	0	0	111.2	L9 I10 Y463	N6-L9 PolarHBondContact O-N 3.23Å; N6-I10 VanDerWaalsContact O-CG1 3.28Å; N6-I10 WeakPolarHBondContact O-CG1 3.32Å; N6-I10 PolarHBondContact O-N 3.44Å; N6-Y463 HydrophobicContact CB-CE2 4.32Å
7	C	81.2	Confident	78.8	Confident	76 Å²	76	74.8 Å²	74.8	51%	0.514	44%	0.437	S	S	.	.	H	α-helix	trans	-63.7	-42.1	174.9	-162.1	0	0	0	0	112	C3 D4 R5 I10 T11	C3-C7 WeakPolarHBondContact O-CB 3.38Å; C3-C7 PolarHBondContact O-N 3.23Å; D4-C7 PolarHBondContact O-N 3.44Å; R5-C7 VanDerWaalsContact C-N 3.33Å; C7-I10 PolarHBondContact O-N 3.47Å; C7-T11 WeakPolarHBondContact O-CB 3.49Å; C7-T11 PolarHBondContact O-N 2.86Å; C7-T11 PolarHBondContact O-OG1 3.33Å
8	G	83	Confident	79.5	Confident	42 Å²	42	75.7 Å²	75.7	43%	0.433	44%	0.444	S	S	.	.	H	α-helix	trans	-63.8	-42.2	175	0	0	0	0	0	113.6	D4 R5 T11 G12	D4-G8 PolarHBondContact O-N 2.94Å; R5-G8 PolarHBondContact O-N 3.41Å; G8-T11 PolarHBondContact O-N 3.47Å; G8-G12 PolarHBondContact O-N 3.33Å
9	L	86.9	Confident	80.1	Confident	23 Å²	23	74.4 Å²	74.4	12%	0.12	43%	0.434	C	S	.	.	H	α-helix	trans	-66.6	-40.8	177.9	-69.5	172.3	0	0	0	112.3	R5 N6 G12 A13 F459 Y463 C466	R5-L9 WeakPolarHBondContact O-CG 3.43Å; R5-L9 PolarHBondContact O-N 3.12Å; N6-L9 PolarHBondContact O-N 3.23Å; L9-G12 PolarHBondContact O-N 3.3Å; L9-A13 PolarHBondContact O-N 2.97Å; L9-F459 HydrophobicContact CD2-CD1 3.77Å; L9-F459 HydrophobicContact CD2-CE1 4.26Å; L9-Y463 HydrophobicContact CB-CD2 4.35Å; L9-C466 HydrophobicContact CD1-CB 4.34Å
10	I	87.6	Confident	80.6	Confident	82 Å²	82	71.7 Å²	71.7	42%	0.421	42%	0.42	S	S	.	.	H	α-helix	trans	-65.7	-44.6	175.1	-67.9	167.6	0	0	0	110.1	N6 C7 G12 A13 V14 Y463	N6-I10 VanDerWaalsContact O-CG1 3.28Å; N6-I10 WeakPolarHBondContact O-CG1 3.32Å; N6-I10 PolarHBondContact O-N 3.44Å; C7-I10 PolarHBondContact O-N 3.47Å; I10-G12 VanDerWaalsContact C-N 3.32Å; I10-G12 PolarHBondContact O-N 2.95Å; I10-A13 PolarHBondContact O-N 3.32Å; I10-V14 HydrophobicContact CG2-CG2 4.31Å; I10-V14 WeakPolarHBondContact O-CG2 3.31Å; I10-V14 PolarHBondContact O-N 3.25Å; I10-Y463 HydrophobicContact CD1-CD2 4.39Å; I10-Y463 HydrophobicContact CD1-CE2 3.71Å; I10-Y463 HydrophobicContact CG1-CD2 3.92Å; I10-Y463 HydrophobicContact CG1-CE2 3.74Å
11	T	88.9	Confident	81.1	Confident	72 Å²	72	72.5 Å²	72.5	44%	0.442	43%	0.426	S	S	.	.	H	α-helix	trans	-57.8	-44.4	176.4	-57.9	0	0	0	0	111.4	C7 G8 A13 V14 I15	C7-T11 WeakPolarHBondContact O-CB 3.49Å; C7-T11 PolarHBondContact O-N 2.86Å; C7-T11 PolarHBondContact O-OG1 3.33Å; G8-T11 PolarHBondContact O-N 3.47Å; T11-A13 PolarHBondContact O-N 2.96Å; T11-V14 PolarHBondContact O-N 3.03Å; T11-I15 HydrophobicContact CG2-CD1 3.94Å; T11-I15 VanDerWaalsContact O-CG1 3.3Å; T11-I15 WeakPolarHBondContact O-CG1 3.28Å; T11-I15 PolarHBondContact O-N 3.43Å
12	G	88.8	Confident	83.1	Confident	9 Å²	9	66.5 Å²	66.5	9%	0.093	39%	0.394	C	S	.	.	H	α-helix	trans	-61.8	-41.2	175.6	0	0	0	0	0	113.4	G8 L9 I10 I15 G16	G8-G12 PolarHBondContact O-N 3.33Å; L9-G12 PolarHBondContact O-N 3.3Å; I10-G12 VanDerWaalsContact C-N 3.32Å; I10-G12 PolarHBondContact O-N 2.95Å; G12-I15 PolarHBondContact O-N 3.39Å; G12-G16 PolarHBondContact O-N 3.49Å
13	A	89.8	Confident	84.8	Confident	5 Å²	5	64 Å²	64	4%	0.041	37%	0.367	C	S	.	.	H	α-helix	trans	-64.4	-43.5	174.2	0	0	0	0	0	111.8	L9 I10 T11 I15 G16 A17 F456 F459 M460	L9-A13 PolarHBondContact O-N 2.97Å; I10-A13 PolarHBondContact O-N 3.32Å; T11-A13 PolarHBondContact O-N 2.96Å; A13-I15 PolarHBondContact O-N 2.83Å; A13-G16 PolarHBondContact O-N 3.41Å; A13-A17 WeakPolarHBondContact O-CB 3.34Å; A13-A17 PolarHBondContact O-N 3.33Å; A13-F456 HydrophobicContact CB-CD2 4.32Å; A13-F456 WeakPolarHBondContact O-CD2 3.42Å; A13-F459 HydrophobicContact CB-CB 3.96Å; A13-M460 HydrophobicContact CB-CG 3.99Å; A13-M460 HydrophobicContact CB-SD 3.88Å
14	V	91.4	Very high	86.3	Confident	83 Å²	83	60 Å²	60	50%	0.503	35%	0.346	S	S	.	.	H	α-helix	trans	-61.5	-44.3	177	172.3	0	0	0	0	111.1	I10 T11 G16 A17 V18	I10-V14 HydrophobicContact CG2-CG2 4.31Å; I10-V14 WeakPolarHBondContact O-CG2 3.31Å; I10-V14 PolarHBondContact O-N 3.25Å; T11-V14 PolarHBondContact O-N 3.03Å; V14-G16 VanDerWaalsContact C-N 3.34Å; V14-G16 PolarHBondContact O-N 3.37Å; V14-A17 PolarHBondContact O-N 2.86Å; V14-V18 HydrophobicContact CG1-CG2 4.39Å; V14-V18 VanDerWaalsContact O-CG2 3.31Å; V14-V18 WeakPolarHBondContact O-CG2 3.25Å; V14-V18 PolarHBondContact O-N 3.44Å
15	I	92	Very high	87.3	Confident	89 Å²	89	57.6 Å²	57.6	46%	0.456	33%	0.332	S	S	.	.	H	α-helix	trans	-60.5	-45.2	175.8	-67.6	166.1	0	0	0	110.6	T11 G12 A13 A17 V18 L19 M455	T11-I15 HydrophobicContact CG2-CD1 3.94Å; T11-I15 VanDerWaalsContact O-CG1 3.3Å; T11-I15 WeakPolarHBondContact O-CG1 3.28Å; T11-I15 PolarHBondContact O-N 3.43Å; G12-I15 PolarHBondContact O-N 3.39Å; A13-I15 PolarHBondContact O-N 2.83Å; I15-A17 PolarHBondContact O-N 3.47Å; I15-V18 PolarHBondContact O-N 2.99Å; I15-L19 HydrophobicContact CG2-CD1 4.07Å; I15-L19 WeakPolarHBondContact O-CG 3.45Å; I15-L19 PolarHBondContact O-N 3.06Å; I15-M455 HydrophobicContact CG2-CE 4.1Å
16	G	91.4	Very high	87.8	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-59	-45.6	175.6	0	0	0	0	0	112.8	G12 A13 V14 L19 A20 G452	G12-G16 PolarHBondContact O-N 3.49Å; A13-G16 PolarHBondContact O-N 3.41Å; V14-G16 VanDerWaalsContact C-N 3.34Å; V14-G16 PolarHBondContact O-N 3.37Å; G16-L19 PolarHBondContact O-N 2.9Å; G16-A20 WeakPolarHBondContact O-CB 3.31Å; G16-A20 PolarHBondContact O-N 3.44Å; G16-G452 CarbonylContact C-O 3.35Å; G16-G452 WeakPolarHBondContact CA-O 3.36Å; G16-G452 CarbonylContact O-C 3.5Å; G16-G452 VanDerWaalsContact O-CA 3.22Å; G16-G452 WeakPolarHBondContact O-CA 3.46Å; G16-G452 VanDerWaalsContact O-O 3.13Å
17	A	90.8	Very high	87.8	Confident	32 Å²	32	52.2 Å²	52.2	26%	0.264	31%	0.314	S	S	.	.	H	α-helix	trans	-61.9	-45	177	0	0	0	0	0	112.1	A13 V14 I15 L19 A20 V21 F456	A13-A17 WeakPolarHBondContact O-CB 3.34Å; A13-A17 PolarHBondContact O-N 3.33Å; V14-A17 PolarHBondContact O-N 2.86Å; I15-A17 PolarHBondContact O-N 3.47Å; A17-L19 PolarHBondContact O-N 3.02Å; A17-A20 PolarHBondContact O-N 3.42Å; A17-V21 WeakPolarHBondContact O-CB 3.18Å; A17-V21 VanDerWaalsContact O-CG2 3.28Å; A17-V21 WeakPolarHBondContact O-CG2 3.34Å; A17-V21 PolarHBondContact O-N 3.22Å; A17-F456 HydrophobicContact CB-CD2 3.79Å; A17-F456 HydrophobicContact CB-CE2 4.11Å
18	V	92.3	Very high	87.9	Confident	91 Å²	91	52.1 Å²	52.1	55%	0.552	31%	0.312	S	S	*	.	H	α-helix	trans	-62.1	-43	177.9	170.5	0	0	0	0	111.1	V14 I15 V21 F22	V14-V18 HydrophobicContact CG1-CG2 4.39Å; V14-V18 VanDerWaalsContact O-CG2 3.31Å; V14-V18 WeakPolarHBondContact O-CG2 3.25Å; V14-V18 PolarHBondContact O-N 3.44Å; I15-V18 PolarHBondContact O-N 2.99Å; V18-V21 PolarHBondContact O-N 3.41Å; V18-F22 VanDerWaalsContact O-CB 3.25Å; V18-F22 WeakPolarHBondContact O-CB 3.33Å; V18-F22 PolarHBondContact O-N 2.87Å
19	L	90.9	Very high	87.9	Confident	51 Å²	51	53.3 Å²	53.3	27%	0.267	31%	0.311	S	S	.	.	H	α-helix	trans	-65.5	-40.1	177.2	-72.6	171.1	0	0	0	112.6	I15 G16 A17 F22 G23 L448 M455	I15-L19 HydrophobicContact CG2-CD1 4.07Å; I15-L19 WeakPolarHBondContact O-CG 3.45Å; I15-L19 PolarHBondContact O-N 3.06Å; G16-L19 PolarHBondContact O-N 2.9Å; A17-L19 PolarHBondContact O-N 3.02Å; L19-F22 PolarHBondContact O-N 3.49Å; L19-G23 PolarHBondContact O-N 3.28Å; L19-L448 HydrophobicContact CD2-CD2 4Å; L19-M455 HydrophobicContact CD1-CE 3.3Å
20	A	90.3	Very high	87.6	Confident	19 Å²	19	52.3 Å²	52.3	16%	0.157	31%	0.306	C	S	.	.	H	α-helix	trans	-65.1	-44.1	176.3	0	0	0	0	0	111.5	G16 A17 G23 G24 L449 V453	G16-A20 WeakPolarHBondContact O-CB 3.31Å; G16-A20 PolarHBondContact O-N 3.44Å; A17-A20 PolarHBondContact O-N 3.42Å; A20-G23 PolarHBondContact O-N 3.24Å; A20-G24 PolarHBondContact O-N 2.88Å; A20-L449 WeakPolarHBondContact O-CD1 3.39Å; A20-V453 HydrophobicContact CB-CG2 4.07Å
21	V	90.1	Very high	87.2	Confident	90 Å²	90	52.8 Å²	52.8	55%	0.545	31%	0.309	S	S	.	.	H	α-helix	trans	-62.8	-44.1	174.9	170.6	0	0	0	0	110.6	A17 V18 G24 I25	A17-V21 WeakPolarHBondContact O-CB 3.18Å; A17-V21 VanDerWaalsContact O-CG2 3.28Å; A17-V21 WeakPolarHBondContact O-CG2 3.34Å; A17-V21 PolarHBondContact O-N 3.22Å; V18-V21 PolarHBondContact O-N 3.41Å; V21-G24 PolarHBondContact O-N 3.28Å; V21-I25 HydrophobicContact CG1-CD1 3.71Å; V21-I25 HydrophobicContact CG1-CG1 4.4Å; V21-I25 VanDerWaalsContact O-CG1 3.31Å; V21-I25 WeakPolarHBondContact O-CG1 3.25Å; V21-I25 PolarHBondContact O-N 3.05Å
22	F	88.2	Confident	87	Confident	115 Å²	115	54.5 Å²	54.5	50%	0.504	31%	0.313	S	S	.	.	H	α-helix	trans	-64.1	-45.8	178.6	-167	-105.2	0	0	0	111.6	V18 L19 G24 I25 L26 L448	V18-F22 VanDerWaalsContact O-CB 3.25Å; V18-F22 WeakPolarHBondContact O-CB 3.33Å; V18-F22 PolarHBondContact O-N 2.87Å; L19-F22 PolarHBondContact O-N 3.49Å; F22-G24 VanDerWaalsContact C-N 3.33Å; F22-G24 PolarHBondContact O-N 3.18Å; F22-I25 PolarHBondContact O-N 3.48Å; F22-L26 HydrophobicContact CD1-CD1 4.18Å; F22-L26 HydrophobicContact CE1-CD1 3.52Å; F22-L26 HydrophobicContact CZ-CD1 3.76Å; F22-L26 WeakPolarHBondContact O-CB 3.44Å; F22-L26 PolarHBondContact O-N 3.4Å; F22-L448 HydrophobicContact CD1-CD1 4.2Å
23	G	86.1	Confident	86.7	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-59.4	-42	173.8	0	0	0	0	0	112.7	L19 A20 L26 M27	L19-G23 PolarHBondContact O-N 3.28Å; A20-G23 PolarHBondContact O-N 3.24Å; G23-L26 PolarHBondContact O-N 3.47Å; G23-M27 PolarHBondContact O-N 3.44Å
24	G	84.6	Confident	86.3	Confident	32 Å²	32	59.8 Å²	59.8	33%	0.33	34%	0.338	S	S	.	.	H	α-helix	trans	-66.5	-35.8	176.1	0	0	0	0	0	114.2	A20 V21 F22 P28	A20-G24 PolarHBondContact O-N 2.88Å; V21-G24 PolarHBondContact O-N 3.28Å; F22-G24 VanDerWaalsContact C-N 3.33Å; F22-G24 PolarHBondContact O-N 3.18Å; G24-P28 WeakPolarHBondContact O-CD 3.34Å
25	I	85.7	Confident	86.1	Confident	94 Å²	94	59.8 Å²	59.8	48%	0.482	33%	0.333	S	S	.	.	H	α-helix	trans	-73.5	-34.8	173.3	-68.7	168.9	0	0	0	111	V21 F22 M27 P28 V29	V21-I25 HydrophobicContact CG1-CD1 3.71Å; V21-I25 HydrophobicContact CG1-CG1 4.4Å; V21-I25 VanDerWaalsContact O-CG1 3.31Å; V21-I25 WeakPolarHBondContact O-CG1 3.25Å; V21-I25 PolarHBondContact O-N 3.05Å; F22-I25 PolarHBondContact O-N 3.48Å; I25-M27 VanDerWaalsContact C-N 3.27Å; I25-M27 PolarHBondContact O-N 2.94Å; I25-P28 WeakPolarHBondContact O-CD 3.36Å; I25-P28 WeakPolarHBondContact O-CG 3.49Å; I25-V29 HydrophobicContact CG2-CG2 4.14Å; I25-V29 VanDerWaalsContact O-CG2 3.27Å; I25-V29 WeakPolarHBondContact O-CG2 3.28Å; I25-V29 PolarHBondContact O-N 2.92Å
26	L	84.2	Confident	85.8	Confident	38 Å²	38	62.1 Å²	62.1	20%	0.199	34%	0.339	C	S	.	.	H	α-helix	trans	-66.3	-30.9	-177.6	-147.8	108.7	0	0	0	111.6	F22 G23 V29 G30 L441 E445	F22-L26 HydrophobicContact CD1-CD1 4.18Å; F22-L26 HydrophobicContact CE1-CD1 3.52Å; F22-L26 HydrophobicContact CZ-CD1 3.76Å; F22-L26 WeakPolarHBondContact O-CB 3.44Å; F22-L26 PolarHBondContact O-N 3.4Å; G23-L26 PolarHBondContact O-N 3.47Å; L26-V29 PolarHBondContact O-N 3.49Å; L26-G30 WeakPolarHBondContact O-CA 3.47Å; L26-G30 PolarHBondContact O-N 2.76Å; L26-L441 HydrophobicContact CD2-CD1 4.23Å; L26-E445 HydrophobicContact CB-CG 4.15Å; L26-E445 HydrophobicContact CD2-CG 3.57Å; L26-E445 HydrophobicContact CG-CG 4.4Å
27	M	79.5	Confident	85.6	Confident	54 Å²	54	66 Å²	66	27%	0.266	36%	0.364	S	S	.	.	H	α-helix	trans	-54.8	-62.4	175.9	-70.9	174	177.6	0	0	113.6	G23 I25 V29 G30 D31 E445 M446 L449	G23-M27 PolarHBondContact O-N 3.44Å; I25-M27 VanDerWaalsContact C-N 3.27Å; I25-M27 PolarHBondContact O-N 2.94Å; M27-V29 VanDerWaalsContact C-N 3.28Å; M27-V29 PolarHBondContact O-N 2.93Å; M27-G30 PolarHBondContact O-N 2.92Å; M27-D31 PolarHBondContact O-N 2.9Å; M27-E445 HydrophobicContact CE-CB 4.36Å; M27-E445 HydrophobicContact CG-CB 4.07Å; M27-E445 HydrophobicContact CG-CG 4.24Å; M27-M446 HydrophobicContact CE-SD 4.37Å; M27-L449 HydrophobicContact CE-CB 4.4Å; M27-L449 HydrophobicContact CE-CD2 3.66Å
28	P	83	Confident	85.5	Confident	74 Å²	74	65.1 Å²	65.1	48%	0.481	35%	0.354	S	S	.	.	H	α-helix	trans	-65.3	-31.3	179	26.1	-35	0	0	0	112.6	G24 I25 M32	G24-P28 WeakPolarHBondContact O-CD 3.34Å; I25-P28 WeakPolarHBondContact O-CD 3.36Å; I25-P28 WeakPolarHBondContact O-CG 3.49Å; P28-M32 WeakPolarHBondContact O-CB 3.34Å; P28-M32 VanDerWaalsContact O-CG 3.28Å; P28-M32 WeakPolarHBondContact O-CG 3.4Å; P28-M32 PolarHBondContact O-N 3.4Å
29	V	83.4	Confident	85.5	Confident	67 Å²	67	65 Å²	65	41%	0.406	35%	0.346	S	S	.	.	H	α-helix	trans	-70	-39.9	176.8	173.6	0	0	0	0	111.2	I25 L26 M27 M32 L33	I25-V29 HydrophobicContact CG2-CG2 4.14Å; I25-V29 VanDerWaalsContact O-CG2 3.27Å; I25-V29 WeakPolarHBondContact O-CG2 3.28Å; I25-V29 PolarHBondContact O-N 2.92Å; L26-V29 PolarHBondContact O-N 3.49Å; M27-V29 VanDerWaalsContact C-N 3.28Å; M27-V29 PolarHBondContact O-N 2.93Å; V29-M32 WeakPolarHBondContact O-CB 3.32Å; V29-M32 PolarHBondContact O-N 2.99Å; V29-L33 HydrophobicContact CG1-CD1 4.17Å; V29-L33 HydrophobicContact CG1-CG 4.46Å; V29-L33 VanDerWaalsContact O-CG 3.32Å; V29-L33 WeakPolarHBondContact O-CG 3.25Å; V29-L33 PolarHBondContact O-N 3.34Å
30	G	80.3	Confident	85.4	Confident	1 Å²	1	69.2 Å²	69.2	1%	0.01	36%	0.362	C	S	.	.	H	α-helix	trans	-65.3	-48.5	179.1	0	0	0	0	0	110.9	L26 M27 M32 L33 I34 L441	L26-G30 WeakPolarHBondContact O-CA 3.47Å; L26-G30 PolarHBondContact O-N 2.76Å; M27-G30 PolarHBondContact O-N 2.92Å; G30-M32 VanDerWaalsContact C-N 3.31Å; G30-M32 PolarHBondContact O-N 3.45Å; G30-L33 PolarHBondContact O-N 3.32Å; G30-L33 VanDerWaalsContact O-N 3.1Å; G30-I34 WeakPolarHBondContact O-CG1 3.31Å; G30-I34 PolarHBondContact O-N 3.48Å; G30-L441 VanDerWaalsContact CA-CD2 3.43Å
31	D	79.8	Confident	85.5	Confident	92 Å²	92	71.3 Å²	71.3	49%	0.492	37%	0.369	S	S	.	.	H	α-helix	trans	-55.9	-44.9	171.8	-77.5	-19.5	0	0	0	111.7	M27 L33 I34 Q35	M27-D31 PolarHBondContact O-N 2.9Å; D31-L33 PolarHBondContact O-N 3.35Å; D31-I34 PolarHBondContact O-N 2.94Å; D31-Q35 WeakPolarHBondContact O-CB 3.3Å; D31-Q35 VanDerWaalsContact O-CG 3.3Å; D31-Q35 WeakPolarHBondContact O-CG 3.49Å; D31-Q35 PolarHBondContact O-N 2.78Å
32	M	84.6	Confident	85.6	Confident	108 Å²	108	67.3 Å²	67.3	53%	0.532	35%	0.345	S	S	.	.	H	α-helix	trans	-61.3	-40.6	175.5	-80.8	-177.5	60.5	0	0	113	P28 V29 G30 K36	P28-M32 WeakPolarHBondContact O-CB 3.34Å; P28-M32 VanDerWaalsContact O-CG 3.28Å; P28-M32 WeakPolarHBondContact O-CG 3.4Å; P28-M32 PolarHBondContact O-N 3.4Å; V29-M32 WeakPolarHBondContact O-CB 3.32Å; V29-M32 PolarHBondContact O-N 2.99Å; G30-M32 VanDerWaalsContact C-N 3.31Å; G30-M32 PolarHBondContact O-N 3.45Å; M32-K36 WeakPolarHBondContact O-CB 3.27Å; M32-K36 VanDerWaalsContact O-CG 3.29Å; M32-K36 WeakPolarHBondContact O-CG 3.46Å; M32-K36 PolarHBondContact O-N 2.98Å
33	L	82.5	Confident	86	Confident	97 Å²	97	62.3 Å²	62.3	51%	0.508	32%	0.323	S	S	.	.	H	α-helix	trans	-70.4	-41	179.2	-73.7	174.8	0	0	0	112	V29 G30 D31 K36 T37	V29-L33 HydrophobicContact CG1-CD1 4.17Å; V29-L33 HydrophobicContact CG1-CG 4.46Å; V29-L33 VanDerWaalsContact O-CG 3.32Å; V29-L33 WeakPolarHBondContact O-CG 3.25Å; V29-L33 PolarHBondContact O-N 3.34Å; G30-L33 PolarHBondContact O-N 3.32Å; G30-L33 VanDerWaalsContact O-N 3.1Å; D31-L33 PolarHBondContact O-N 3.35Å; L33-K36 PolarHBondContact O-N 2.93Å; L33-T37 WeakPolarHBondContact O-CB 3.21Å; L33-T37 PolarHBondContact O-N 3.47Å; L33-T37 PolarHBondContact O-OG1 3.32Å
34	I	82	Confident	86.5	Confident	28 Å²	28	62.4 Å²	62.4	14%	0.144	32%	0.324	C	S	.	.	H	α-helix	trans	-60.3	-53.4	173.7	-69.5	163.6	0	0	0	108.8	G30 D31 K36 T37 I38 I438 L441	G30-I34 WeakPolarHBondContact O-CG1 3.31Å; G30-I34 PolarHBondContact O-N 3.48Å; D31-I34 PolarHBondContact O-N 2.94Å; I34-K36 VanDerWaalsContact C-N 3.3Å; I34-K36 PolarHBondContact O-N 2.95Å; I34-T37 PolarHBondContact O-N 2.92Å; I34-T37 VanDerWaalsContact O-N 3.07Å; I34-I38 HydrophobicContact CG2-CG1 4.2Å; I34-I38 WeakPolarHBondContact O-CG1 3.49Å; I34-I38 PolarHBondContact O-N 2.92Å; I34-I438 HydrophobicContact CD1-CB 4.26Å; I34-I438 HydrophobicContact CD1-CG1 4.02Å; I34-I438 HydrophobicContact CD1-CG2 4.04Å; I34-I438 HydrophobicContact CG1-CG1 4.15Å; I34-I438 HydrophobicContact CG2-CD1 3.82Å; I34-I438 HydrophobicContact CG2-CG1 3.79Å; I34-L441 HydrophobicContact CD1-CD2 3.64Å; I34-L441 HydrophobicContact CG1-CD2 3.95Å
35	Q	85.7	Confident	87	Confident	83 Å²	83	63.5 Å²	63.5	39%	0.388	32%	0.321	S	S	.	.	H	α-helix	trans	-57.1	-43.3	179.1	-74.8	-170.8	21.4	0	0	111.9	D31 T37 I38 K39 F257	D31-Q35 WeakPolarHBondContact O-CB 3.3Å; D31-Q35 VanDerWaalsContact O-CG 3.3Å; D31-Q35 WeakPolarHBondContact O-CG 3.49Å; D31-Q35 PolarHBondContact O-N 2.78Å; Q35-T37 PolarHBondContact O-N 3.38Å; Q35-I38 PolarHBondContact O-N 2.95Å; Q35-K39 VanDerWaalsContact O-CB 3.25Å; Q35-K39 WeakPolarHBondContact O-CB 3.22Å; Q35-K39 WeakPolarHBondContact O-CG 3.39Å; Q35-K39 PolarHBondContact O-N 3.48Å; Q35-F257 HydrophobicContact CB-CE1 4.46Å; Q35-F257 HydrophobicContact CB-CZ 4.07Å; Q35-F257 HydrophobicContact CG-CE1 3.84Å; Q35-F257 HydrophobicContact CG-CZ 3.9Å
36	K	87.4	Confident	87.3	Confident	138 Å²	138	67.2 Å²	67.2	60%	0.6	34%	0.336	S	S	*	.	H	α-helix	trans	-61.7	-41.7	176.2	-80.6	179	178.8	-178	0	112.6	M32 L33 I34 K40	M32-K36 WeakPolarHBondContact O-CB 3.27Å; M32-K36 VanDerWaalsContact O-CG 3.29Å; M32-K36 WeakPolarHBondContact O-CG 3.46Å; M32-K36 PolarHBondContact O-N 2.98Å; L33-K36 PolarHBondContact O-N 2.93Å; I34-K36 VanDerWaalsContact C-N 3.3Å; I34-K36 PolarHBondContact O-N 2.95Å; K36-K40 PolarHBondContact O-N 3.49Å
37	T	87.1	Confident	87.6	Confident	83 Å²	83	67.8 Å²	67.8	51%	0.509	35%	0.351	S	S	.	.	H	α-helix	trans	-65.9	-47.9	179.1	-55.7	0	0	0	0	110.6	L33 I34 Q35 K40 E41	L33-T37 WeakPolarHBondContact O-CB 3.21Å; L33-T37 PolarHBondContact O-N 3.47Å; L33-T37 PolarHBondContact O-OG1 3.32Å; I34-T37 PolarHBondContact O-N 2.92Å; I34-T37 VanDerWaalsContact O-N 3.07Å; Q35-T37 PolarHBondContact O-N 3.38Å; T37-K40 PolarHBondContact O-N 2.98Å; T37-E41 HydrophobicContact CG2-CG 4.41Å; T37-E41 WeakPolarHBondContact O-CG 3.21Å; T37-E41 PolarHBondContact O-N 3.47Å
38	I	87.9	Confident	88.2	Confident	13 Å²	13	65.6 Å²	65.6	7%	0.067	34%	0.34	C	S	.	.	H	α-helix	trans	-60.7	-48.8	177.2	-63.7	-62.5	0	0	0	110.4	I34 Q35 K40 E41 V42 P256 F257 I376 T377 V434	I34-I38 HydrophobicContact CG2-CG1 4.2Å; I34-I38 WeakPolarHBondContact O-CG1 3.49Å; I34-I38 PolarHBondContact O-N 2.92Å; Q35-I38 PolarHBondContact O-N 2.95Å; I38-K40 PolarHBondContact O-N 3.36Å; I38-E41 PolarHBondContact O-N 2.99Å; I38-E41 VanDerWaalsContact O-N 3.09Å; I38-V42 HydrophobicContact CG2-CG1 3.92Å; I38-V42 HydrophobicContact CG2-CG2 4.48Å; I38-V42 WeakPolarHBondContact O-CG1 3.25Å; I38-V42 WeakPolarHBondContact O-CG2 3.38Å; I38-V42 PolarHBondContact O-N 2.89Å; I38-P256 HydrophobicContact CG2-CB 4.17Å; I38-F257 HydrophobicContact CB-CE1 4.42Å; I38-F257 HydrophobicContact CB-CZ 3.97Å; I38-F257 HydrophobicContact CG2-CE1 4.18Å; I38-F257 HydrophobicContact CG2-CE2 4.44Å; I38-F257 HydrophobicContact CG2-CZ 3.77Å; I38-I376 HydrophobicContact CD1-CG2 4.03Å; I38-I376 HydrophobicContact CG1-CG2 3.86Å; I38-I376 HydrophobicContact CG2-CG2 4.32Å; I38-T377 HydrophobicContact CD1-CG2 4.38Å; I38-V434 HydrophobicContact CD1-CG1 4.1Å
39	K	91.3	Very high	88.4	Confident	88 Å²	88	64.5 Å²	64.5	38%	0.383	33%	0.33	S	S	.	.	H	α-helix	trans	-57.8	-23.3	178.8	-74.2	178.6	-179.5	173.1	0	113.6	Q35 V43 I221 F257	Q35-K39 VanDerWaalsContact O-CB 3.25Å; Q35-K39 WeakPolarHBondContact O-CB 3.22Å; Q35-K39 WeakPolarHBondContact O-CG 3.39Å; Q35-K39 PolarHBondContact O-N 3.48Å; K39-V43 VanDerWaalsContact O-CG2 3.23Å; K39-V43 WeakPolarHBondContact O-CG2 3.37Å; K39-I221 HydrophobicContact CB-CG1 4.39Å; K39-I221 HydrophobicContact CD-CG2 4.24Å; K39-I221 HydrophobicContact CG-CB 4.39Å; K39-I221 HydrophobicContact CG-CG1 4.26Å; K39-I221 HydrophobicContact CG-CG2 4.01Å; K39-I221 WeakPolarHBondContact O-CD1 3.16Å; K39-F257 HydrophobicContact CD-CE2 4.42Å; K39-F257 HydrophobicContact CG-CE2 3.85Å; K39-F257 HydrophobicContact CG-CZ 4.25Å
40	K	90.6	Very high	88.7	Confident	139 Å²	139	61.5 Å²	61.5	60%	0.604	31%	0.312	S	S	*	.	H	α-helix	trans	-86.9	-45	174.1	-173.3	-178.5	176.6	-175.2	0	112.3	K36 T37 I38 V42	K36-K40 PolarHBondContact O-N 3.49Å; T37-K40 PolarHBondContact O-N 2.98Å; I38-K40 PolarHBondContact O-N 3.36Å; K40-V42 VanDerWaalsContact C-N 3.31Å; K40-V42 PolarHBondContact O-N 3.28Å
41	E	90.6	Very high	89.4	Confident	64 Å²	64	62.7 Å²	62.7	30%	0.299	32%	0.317	S	S	.	.	H	α-helix	trans	-74.7	-18.2	-175.5	-70.9	-61.3	154.6	0	0	114.2	T37 I38 I49 A50	T37-E41 HydrophobicContact CG2-CG 4.41Å; T37-E41 WeakPolarHBondContact O-CG 3.21Å; T37-E41 PolarHBondContact O-N 3.47Å; I38-E41 PolarHBondContact O-N 2.99Å; I38-E41 VanDerWaalsContact O-N 3.09Å; E41-I49 HydrophobicContact CB-CD1 4.47Å; E41-I49 HydrophobicContact CG-CD1 4.37Å; E41-I49 WeakPolarHBondContact OE2-CG1 3.32Å; E41-I49 PolarHBondContact OE2-N 3.43Å; E41-A50 WeakPolarHBondContact O-CB 3.12Å; E41-A50 PolarHBondContact O-N 3.47Å; E41-A50 VanDerWaalsContact O-N 3.13Å
42	V	93.6	Very high	90	Very high	6 Å²	6	64.7 Å²	64.7	4%	0.036	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-6.2	178.9	-56.5	0	0	0	0	114.4	I38 K40 A50 I221 V224 P256 T377 F379	I38-V42 HydrophobicContact CG2-CG1 3.92Å; I38-V42 HydrophobicContact CG2-CG2 4.48Å; I38-V42 WeakPolarHBondContact O-CG1 3.25Å; I38-V42 WeakPolarHBondContact O-CG2 3.38Å; I38-V42 PolarHBondContact O-N 2.89Å; K40-V42 VanDerWaalsContact C-N 3.31Å; K40-V42 PolarHBondContact O-N 3.28Å; V42-A50 WeakPolarHBondContact O-CB 3.31Å; V42-I221 HydrophobicContact CG2-CD1 3.52Å; V42-I221 HydrophobicContact CG2-CG1 3.72Å; V42-V224 WeakPolarHBondContact O-CG2 3.02Å; V42-P256 HydrophobicContact CG2-CB 4.24Å; V42-P256 HydrophobicContact CG2-CG 3.86Å; V42-T377 HydrophobicContact CG1-CG2 4.48Å; V42-F379 HydrophobicContact CG1-CE1 4.32Å; V42-F379 HydrophobicContact CG1-CZ 4.07Å
43	V	96.5	Very high	90.3	Very high	9 Å²	9	62.3 Å²	62.3	6%	0.055	31%	0.311	C	S	.	.	S	Bend	trans	-64.1	138.9	174.8	-179.6	0	0	0	0	109.8	K39 E45 T48 N216 K218 I221	K39-V43 VanDerWaalsContact O-CG2 3.23Å; K39-V43 WeakPolarHBondContact O-CG2 3.37Å; V43-E45 HydrophobicContact CB-CG 4.2Å; V43-E45 HydrophobicContact CG1-CB 4.07Å; V43-E45 HydrophobicContact CG1-CG 3.74Å; V43-E45 PolarHBondContact O-N 3.44Å; V43-T48 WeakPolarHBondContact O-CB 3.42Å; V43-T48 PolarHBondContact O-OG1 3.32Å; V43-N216 VanDerWaalsContact CG1-O 3.3Å; V43-N216 WeakPolarHBondContact CG1-O 3.1Å; V43-K218 HydrophobicContact CG1-CB 4.3Å; V43-I221 HydrophobicContact CG2-CD1 3.81Å
44	L	96.8	Very high	90.9	Very high	3 Å²	3	58.5 Å²	58.5	2%	0.016	29%	0.289	C	S	.	.	S	Bend	trans	-80.8	65.2	174.6	-59.4	179.3	0	0	0	110.9	A50 F51 W54 Q105 V112 V214 N216 V224 A225	L44-A50 HydrophobicContact CD2-CB 4.16Å; L44-F51 HydrophobicContact CB-CD2 4.48Å; L44-W54 HydrophobicContact CD1-CD2 4.4Å; L44-W54 HydrophobicContact CD1-CG 4.43Å; L44-W54 HydrophobicContact CD2-CB 3.79Å; L44-W54 HydrophobicContact CD2-CD2 4.18Å; L44-W54 HydrophobicContact CD2-CG 3.7Å; L44-Q105 PolarHBondContact O-NE2 2.92Å; L44-V112 HydrophobicContact CB-CG1 4.17Å; L44-V112 HydrophobicContact CD1-CG1 4.11Å; L44-V214 HydrophobicContact CD1-CG2 4.02Å; L44-N216 HydrophobicContact CB-CB 4.09Å; L44-N216 PolarHBondContact N-O 2.92Å; L44-V224 HydrophobicContact CD1-CG2 4.35Å; L44-V224 HydrophobicContact CG-CG2 3.86Å; L44-A225 HydrophobicContact CD1-CB 4.1Å
45	E	94.2	Very high	91.6	Very high	55 Å²	55	58.8 Å²	58.8	26%	0.257	29%	0.293	S	S	.	.	S	Bend	trans	-128.4	152.4	173.1	69.8	178.1	-170	0	0	111.8	V43 G47 T48 F51 K218	V43-E45 HydrophobicContact CB-CG 4.2Å; V43-E45 HydrophobicContact CG1-CB 4.07Å; V43-E45 HydrophobicContact CG1-CG 3.74Å; V43-E45 PolarHBondContact O-N 3.44Å; E45-G47 PolarHBondContact O-N 3.47Å; E45-T48 HydrophobicContact CG-CG2 3.64Å; E45-T48 WeakPolarHBondContact O-CG2 3.27Å; E45-T48 PolarHBondContact O-N 2.84Å; E45-T48 PolarHBondContact O-OG1 2.82Å; E45-F51 WeakPolarHBondContact O-CB 3.25Å; E45-F51 WeakPolarHBondContact O-CG 3.41Å; E45-K218 IonicContact OE2-NZ 3.95Å; E45-K218 PolarHBondContact OE2-NZ 3.41Å
46	E	93.1	Very high	91.9	Very high	172 Å²	172	60.9 Å²	60.9	80%	0.804	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	133.9	-176.1	-166.8	170.4	-168.8	0	0	111.6	F51	E46-F51 HydrophobicContact CB-CD1 4.35Å; E46-F51 HydrophobicContact CB-CE1 4.12Å; E46-F51 HydrophobicContact CG-CE1 4.23Å
47	G	89.3	Confident	92	Very high	49 Å²	49	57.1 Å²	57.1	51%	0.505	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.1	-28.2	-177.2	0	0	0	0	0	114.8	E45	E45-G47 PolarHBondContact O-N 3.47Å
48	T	91.8	Very high	91.9	Very high	8 Å²	8	55 Å²	55	5%	0.049	28%	0.283	C	S	.	.	S	Bend	trans	-71	160.1	180	65	0	0	0	0	113.3	V43 E45 F51 K52	V43-T48 WeakPolarHBondContact O-CB 3.42Å; V43-T48 PolarHBondContact O-OG1 3.32Å; E45-T48 HydrophobicContact CG-CG2 3.64Å; E45-T48 WeakPolarHBondContact O-CG2 3.27Å; E45-T48 PolarHBondContact O-N 2.84Å; E45-T48 PolarHBondContact O-OG1 2.82Å; T48-F51 WeakPolarHBondContact OG1-CB 3.44Å; T48-F51 PolarHBondContact OG1-N 2.83Å; T48-F51 VanDerWaalsContact OG1-N 3.09Å; T48-K52 WeakPolarHBondContact O-CG 3.28Å; T48-K52 PolarHBondContact O-N 3.4Å
49	I	87.1	Confident	92.1	Very high	52 Å²	52	55.6 Å²	55.6	27%	0.267	29%	0.288	S	S	.	.	H	α-helix	trans	-65.7	-41.5	173.4	-64	166.4	0	0	0	111.3	E41 N53	E41-I49 HydrophobicContact CB-CD1 4.47Å; E41-I49 HydrophobicContact CG-CD1 4.37Å; E41-I49 WeakPolarHBondContact OE2-CG1 3.32Å; E41-I49 PolarHBondContact OE2-N 3.43Å; I49-N53 PolarHBondContact O-N 2.98Å; I49-N53 PolarHBondContact O-ND2 3.07Å
50	A	91.4	Very high	92.3	Very high	3 Å²	3	55.8 Å²	55.8	3%	0.025	29%	0.29	C	S	.	.	H	α-helix	trans	-61.3	-49.1	178.4	0	0	0	0	0	111.9	E41 V42 L44 K52 N53 W54 F379	E41-A50 WeakPolarHBondContact O-CB 3.12Å; E41-A50 PolarHBondContact O-N 3.47Å; E41-A50 VanDerWaalsContact O-N 3.13Å; V42-A50 WeakPolarHBondContact O-CB 3.31Å; L44-A50 HydrophobicContact CD2-CB 4.16Å; A50-K52 VanDerWaalsContact C-N 3.35Å; A50-K52 PolarHBondContact O-N 3.36Å; A50-N53 PolarHBondContact O-N 3.32Å; A50-W54 WeakPolarHBondContact O-CB 3.32Å; A50-W54 PolarHBondContact O-N 3.38Å; A50-F379 HydrophobicContact CB-CE1 4.04Å; A50-F379 HydrophobicContact CB-CZ 3.78Å
51	F	95	Very high	92.6	Very high	26 Å²	26	49.8 Å²	49.8	11%	0.114	26%	0.264	C	S	.	.	H	α-helix	trans	-60.3	-43.1	-176.6	-172.5	-99.2	0	0	0	112.3	L44 E45 E46 T48 N53 W54 V55 I103	L44-F51 HydrophobicContact CB-CD2 4.48Å; E45-F51 WeakPolarHBondContact O-CB 3.25Å; E45-F51 WeakPolarHBondContact O-CG 3.41Å; E46-F51 HydrophobicContact CB-CD1 4.35Å; E46-F51 HydrophobicContact CB-CE1 4.12Å; E46-F51 HydrophobicContact CG-CE1 4.23Å; T48-F51 WeakPolarHBondContact OG1-CB 3.44Å; T48-F51 PolarHBondContact OG1-N 2.83Å; T48-F51 VanDerWaalsContact OG1-N 3.09Å; F51-N53 PolarHBondContact O-N 2.59Å; F51-W54 HydrophobicContact CD2-CE3 4.12Å; F51-W54 HydrophobicContact CD2-CZ3 4.38Å; F51-W54 HydrophobicContact CE2-CE3 4.15Å; F51-W54 AromaticContact CE2-CZ3 3.97Å; F51-W54 HydrophobicContact CE2-CZ3 3.97Å; F51-W54 PolarHBondContact O-N 3.41Å; F51-V55 HydrophobicContact CD1-CG2 3.89Å; F51-V55 HydrophobicContact CE1-CG2 3.64Å; F51-V55 HydrophobicContact CE2-CG2 4.28Å; F51-V55 HydrophobicContact CG-CG2 4.33Å; F51-V55 HydrophobicContact CZ-CG2 3.85Å; F51-V55 WeakPolarHBondContact O-CG2 3.27Å; F51-V55 PolarHBondContact O-N 2.94Å; F51-I103 HydrophobicContact CE2-CG2 4.24Å; F51-I103 HydrophobicContact CZ-CG2 4.12Å
52	K	92.3	Very high	93	Very high	135 Å²	135	49.3 Å²	49.3	59%	0.587	26%	0.26	S	S	*	.	H	α-helix	trans	-58.9	-47.3	178	-69.7	173.7	-174.5	170	0	112.3	T48 A50 K56	T48-K52 WeakPolarHBondContact O-CG 3.28Å; T48-K52 PolarHBondContact O-N 3.4Å; A50-K52 VanDerWaalsContact C-N 3.35Å; A50-K52 PolarHBondContact O-N 3.36Å; K52-K56 PolarHBondContact O-N 3.48Å
53	N	90.8	Very high	93.2	Very high	58 Å²	58	49.3 Å²	49.3	31%	0.31	26%	0.26	S	S	.	.	H	α-helix	trans	-72.4	-31	178.5	-69.5	-62.8	0	0	0	112.5	I49 A50 F51 K56 T57	I49-N53 PolarHBondContact O-N 2.98Å; I49-N53 PolarHBondContact O-ND2 3.07Å; A50-N53 PolarHBondContact O-N 3.32Å; F51-N53 PolarHBondContact O-N 2.59Å; N53-K56 CarbonylContact O-C 3.52Å; N53-K56 VanDerWaalsContact O-C 3.23Å; N53-T57 WeakPolarHBondContact O-CA 3.22Å; N53-T57 PolarHBondContact O-N 2.9Å
54	W	94.6	Very high	93.3	Very high	16 Å²	16	51 Å²	51	6%	0.061	27%	0.267	C	S	.	.	H	α-helix	trans	-69.7	-43.5	178.1	176.2	86.1	0	0	0	112	L44 A50 F51 K100 I103 V112 F114 V214	L44-W54 HydrophobicContact CD1-CD2 4.4Å; L44-W54 HydrophobicContact CD1-CG 4.43Å; L44-W54 HydrophobicContact CD2-CB 3.79Å; L44-W54 HydrophobicContact CD2-CD2 4.18Å; L44-W54 HydrophobicContact CD2-CG 3.7Å; A50-W54 WeakPolarHBondContact O-CB 3.32Å; A50-W54 PolarHBondContact O-N 3.38Å; F51-W54 HydrophobicContact CD2-CE3 4.12Å; F51-W54 HydrophobicContact CD2-CZ3 4.38Å; F51-W54 HydrophobicContact CE2-CE3 4.15Å; F51-W54 AromaticContact CE2-CZ3 3.97Å; F51-W54 HydrophobicContact CE2-CZ3 3.97Å; F51-W54 PolarHBondContact O-N 3.41Å; W54-K100 HydrophobicContact CD2-CD 3.81Å; W54-K100 HydrophobicContact CE3-CD 4.01Å; W54-K100 HydrophobicContact CG-CD 4.48Å; W54-K100 HydrophobicContact CH2-CD 3.92Å; W54-K100 HydrophobicContact CZ2-CD 3.73Å; W54-K100 HydrophobicContact CZ3-CD 4.06Å; W54-K100 VanDerWaalsContact O-CD 3.31Å; W54-K100 WeakPolarHBondContact O-CD 3.35Å; W54-K100 WeakPolarHBondContact O-CE 3.35Å; W54-K100 PolarHBondContact O-NZ 2.94Å; W54-I103 HydrophobicContact CH2-CG2 4.35Å; W54-I103 HydrophobicContact CZ3-CD1 3.97Å; W54-I103 HydrophobicContact CZ3-CG1 4.37Å; W54-I103 HydrophobicContact CZ3-CG2 3.99Å; W54-V112 HydrophobicContact CH2-CB 4.46Å; W54-V112 HydrophobicContact CH2-CG1 3.86Å; W54-V112 HydrophobicContact CH2-CG2 3.75Å; W54-V112 HydrophobicContact CZ2-CG1 3.99Å; W54-V112 HydrophobicContact CZ3-CG2 4.14Å; W54-F114 HydrophobicContact CH2-CB 3.97Å; W54-F114 AromaticContact CH2-CD1 3.63Å; W54-F114 HydrophobicContact CH2-CD1 3.63Å; W54-F114 HydrophobicContact CH2-CE1 4.31Å; W54-F114 AromaticContact CH2-CG 3.91Å; W54-F114 HydrophobicContact CH2-CG 3.91Å; W54-F114 HydrophobicContact CZ2-CB 4.42Å; W54-F114 AromaticContact CZ2-CD1 3.26Å; W54-F114 HydrophobicContact CZ2-CD1 3.26Å; W54-F114 AromaticContact CZ2-CE1 3.48Å; W54-F114 HydrophobicContact CZ2-CE1 3.48Å; W54-F114 VanDerWaalsContact CZ2-CE1 3.48Å; W54-F114 AromaticContact CZ2-CG 3.85Å; W54-F114 HydrophobicContact CZ2-CG 3.85Å; W54-F114 HydrophobicContact CZ2-CZ 4.25Å; W54-V214 HydrophobicContact CZ2-CG2 4.14Å
55	V	95.6	Very high	93.4	Very high	35 Å²	35	50.8 Å²	50.8	21%	0.212	27%	0.266	C	S	.	.	H	α-helix	trans	-59.8	-52.3	175.6	172.2	0	0	0	0	110.3	F51 A99 K100 I103	F51-V55 HydrophobicContact CD1-CG2 3.89Å; F51-V55 HydrophobicContact CE1-CG2 3.64Å; F51-V55 HydrophobicContact CE2-CG2 4.28Å; F51-V55 HydrophobicContact CG-CG2 4.33Å; F51-V55 HydrophobicContact CZ-CG2 3.85Å; F51-V55 WeakPolarHBondContact O-CG2 3.27Å; F51-V55 PolarHBondContact O-N 2.94Å; V55-A99 HydrophobicContact CG1-CB 4.26Å; V55-A99 CarbonylContact O-C 3.52Å; V55-A99 WeakPolarHBondContact O-CA 3.45Å; V55-K100 PolarHBondContact O-N 2.81Å; V55-I103 HydrophobicContact CB-CD1 4.32Å; V55-I103 HydrophobicContact CG1-CD1 4Å; V55-I103 HydrophobicContact CG2-CD1 3.71Å
56	K	93.4	Very high	93.6	Very high	127 Å²	127	49.6 Å²	49.6	55%	0.552	26%	0.259	S	S	*	.	S	Bend	trans	-141.5	113.6	178.7	-170.6	178.9	-177.2	179.1	0	109.1	K52 N53 F97 A99	K52-K56 PolarHBondContact O-N 3.48Å; N53-K56 CarbonylContact O-C 3.52Å; N53-K56 VanDerWaalsContact O-C 3.23Å; K56-F97 WeakPolarHBondContact CE-O 3.41Å; K56-A99 HydrophobicContact CB-CB 3.99Å; K56-A99 HydrophobicContact CD-CB 4.33Å; K56-A99 HydrophobicContact CG-CB 4.27Å
57	T	89.1	Confident	93.9	Very high	58 Å²	58	41.4 Å²	41.4	36%	0.356	22%	0.221	S	C	.	.			trans	-62.9	140	179.6	-178.5	0	0	0	0	111.2	N53 T59 I61	N53-T57 WeakPolarHBondContact O-CA 3.22Å; N53-T57 PolarHBondContact O-N 2.9Å; T57-T59 WeakPolarHBondContact CG2-O 3.31Å; T57-T59 PolarHBondContact OG1-N 2.87Å; T57-I61 HydrophobicContact CG2-CD1 4.13Å
58	G	84.8	Confident	94.4	Very high	38 Å²	38	39.2 Å²	39.2	39%	0.392	20%	0.197	S	C	.	.	S	Bend	trans	-80.9	-5.3	171.9	0	0	0	0	0	113.6
59	T	91.6	Very high	94.7	Very high	27 Å²	27	39.8 Å²	39.8	17%	0.166	20%	0.2	C	C	.	.	S	Bend	trans	-93.9	133.8	-179.9	-66.9	0	0	0	0	110.2	T57 I61 T421	T57-T59 WeakPolarHBondContact CG2-O 3.31Å; T57-T59 PolarHBondContact OG1-N 2.87Å; T59-I61 HydrophobicContact CG2-CG1 4.37Å; T59-T421 VanDerWaalsContact CG2-O 3.28Å; T59-T421 WeakPolarHBondContact CG2-O 3.18Å
60	E	95.4	Very high	95.3	Very high	91 Å²	91	37.6 Å²	37.6	43%	0.425	19%	0.189	S	C	.	.			trans	-76.2	124.9	169.8	-58.4	-168.2	135.5	0	0	109.2	Y62 R94	E60-Y62 HydrophobicContact CB-CE2 3.93Å; E60-Y62 PolarHBondContact OE2-OH 3.38Å; E60-R94 IonicContact OE1-CZ 3.87Å; E60-R94 IonicContact OE1-NH1 2.97Å; E60-R94 PolarHBondContact OE1-NH1 3.33Å; E60-R94 VanDerWaalsContact OE1-NH1 3.1Å; E60-R94 IonicContact OE1-NH2 2.87Å; E60-R94 PolarHBondContact OE1-NH2 3.42Å
61	I	97.3	Very high	95.6	Very high	13 Å²	13	42.1 Å²	42.1	7%	0.067	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	126.2	-179.3	-58.9	175.8	0	0	0	108	T57 T59 V95 R96 F383 E418 T419	T57-I61 HydrophobicContact CG2-CD1 4.13Å; T59-I61 HydrophobicContact CG2-CG1 4.37Å; I61-V95 HydrophobicContact CB-CG2 4.42Å; I61-V95 HydrophobicContact CG2-CG2 3.78Å; I61-V95 PolarHBondContact O-N 2.97Å; I61-V95 VanDerWaalsContact O-O 3.11Å; I61-R96 HydrophobicContact CB-CB 4.35Å; I61-R96 HydrophobicContact CD1-CB 3.93Å; I61-R96 HydrophobicContact CD1-CG 4.46Å; I61-F383 HydrophobicContact CD1-CE1 4.21Å; I61-F383 HydrophobicContact CD1-CZ 4.13Å; I61-F383 HydrophobicContact CG1-CE1 4.37Å; I61-F383 HydrophobicContact CG1-CZ 4.33Å; I61-F383 HydrophobicContact CG2-CZ 3.95Å; I61-E418 HydrophobicContact CG2-CG 3.78Å; I61-T419 WeakPolarHBondContact CA-O 3.5Å
62	Y	98.6	Very high	95.8	Very high	54 Å²	54	41.6 Å²	41.6	21%	0.212	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	141.4	177	-62.7	-79.6	0	0	0	109.8	E60 T92 Y93 R94 E123 L126 E418 T419	E60-Y62 HydrophobicContact CB-CE2 3.93Å; E60-Y62 PolarHBondContact OE2-OH 3.38Å; Y62-T92 HydrophobicContact CD1-CG2 3.89Å; Y62-T92 HydrophobicContact CG-CG2 4.32Å; Y62-Y93 CarbonylContact C-O 3.58Å; Y62-Y93 WeakPolarHBondContact CA-O 3.31Å; Y62-R94 HydrophobicContact CD1-CB 4.23Å; Y62-R94 HydrophobicContact CE1-CB 4.14Å; Y62-R94 HydrophobicContact CE1-CG 4.43Å; Y62-E123 HydrophobicContact CD1-CG 4.41Å; Y62-E123 HydrophobicContact CE1-CG 4.1Å; Y62-L126 HydrophobicContact CD1-CD1 4.21Å; Y62-L126 HydrophobicContact CE1-CD1 3.84Å; Y62-E418 CarbonylContact O-C 2.96Å; Y62-E418 VanDerWaalsContact O-CA 3.3Å; Y62-E418 WeakPolarHBondContact O-CA 3.3Å; Y62-T419 PolarHBondContact N-O 3.48Å; Y62-T419 PolarHBondContact O-N 3.45Å
63	R	98.8	Very high	96.1	Very high	7 Å²	7	36.5 Å²	36.5	3%	0.026	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	115.4	168.8	-169.9	-179.1	-66.7	158.7	2.1	108.3	F65 Y93 V95 Y204 L416 N417 E418	R63-F65 HydrophobicContact CG-CE1 4.03Å; R63-F65 HydrophobicContact CG-CE2 4.18Å; R63-F65 HydrophobicContact CG-CZ 3.76Å; R63-Y93 PolarHBondContact N-O 3.29Å; R63-Y93 PolarHBondContact O-N 3.35Å; R63-V95 HydrophobicContact CB-CG1 3.87Å; R63-V95 HydrophobicContact CB-CG2 3.87Å; R63-Y204 PolarHBondContact NH1-OH 3.31Å; R63-Y204 PolarHBondContact NH2-OH 2.91Å; R63-Y204 VanDerWaalsContact NH2-OH 3.12Å; R63-L416 HydrophobicContact CG-CB 4.36Å; R63-L416 HydrophobicContact CG-CD1 4.28Å; R63-N417 WeakPolarHBondContact CA-O 3.41Å; R63-E418 HydrophobicContact CB-CB 4.5Å; R63-E418 HydrophobicContact CG-CB 4.29Å; R63-E418 IonicContact CZ-OE2 3.14Å; R63-E418 IonicContact NE-OE2 3.1Å; R63-E418 PolarHBondContact NE-OE2 3.35Å; R63-E418 IonicContact NH2-OE2 2.71Å; R63-E418 PolarHBondContact NH2-OE2 3.34Å
64	Q	98.9	Very high	96.4	Very high	43 Å²	43	39.6 Å²	39.6	20%	0.201	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	135.9	-179.9	-58	178.4	-58.2	0	0	108.9	W66 P90 Y91 T92 L416 N417	Q64-W66 HydrophobicContact CB-CE3 4.32Å; Q64-W66 HydrophobicContact CB-CH2 3.64Å; Q64-W66 HydrophobicContact CB-CZ3 3.4Å; Q64-W66 VanDerWaalsContact CB-CZ3 3.4Å; Q64-W66 HydrophobicContact CG-CH2 4.47Å; Q64-P90 HydrophobicContact CB-CB 3.9Å; Q64-P90 HydrophobicContact CG-CB 4.31Å; Q64-Y91 CarbonylContact C-O 3.57Å; Q64-Y91 WeakPolarHBondContact CA-O 3.27Å; Q64-T92 HydrophobicContact CG-CG2 4.08Å; Q64-L416 CarbonylContact O-C 3.42Å; Q64-L416 WeakPolarHBondContact O-CA 3.44Å; Q64-L416 WeakPolarHBondContact O-CB 3.26Å; Q64-N417 HydrophobicContact CB-CB 4.41Å; Q64-N417 PolarHBondContact N-O 3.37Å; Q64-N417 PolarHBondContact O-N 2.89Å; Q64-N417 PolarHBondContact OE1-ND2 2.78Å
65	F	98.9	Very high	96.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	138.6	179.6	-61.5	-74.5	0	0	0	111.8	R63 I67 P90 Y91 Y93 L179 W180 F201 L414 L416	R63-F65 HydrophobicContact CG-CE1 4.03Å; R63-F65 HydrophobicContact CG-CE2 4.18Å; R63-F65 HydrophobicContact CG-CZ 3.76Å; F65-I67 HydrophobicContact CB-CD1 4.44Å; F65-P90 CarbonylContact O-C 3.44Å; F65-P90 WeakPolarHBondContact O-CA 3.35Å; F65-Y91 PolarHBondContact N-O 3.37Å; F65-Y91 PolarHBondContact O-N 3.31Å; F65-Y93 AromaticContact CD2-CD2 3.72Å; F65-Y93 HydrophobicContact CD2-CD2 3.72Å; F65-Y93 AromaticContact CD2-CE2 3.92Å; F65-Y93 HydrophobicContact CD2-CE2 3.92Å; F65-Y93 AromaticContact CE2-CD2 3.62Å; F65-Y93 HydrophobicContact CE2-CD2 3.62Å; F65-Y93 HydrophobicContact CE2-CE2 4.02Å; F65-Y93 HydrophobicContact CE2-CG 4.41Å; F65-L179 HydrophobicContact CD1-CD2 4.13Å; F65-L179 HydrophobicContact CD2-CD1 3.66Å; F65-L179 HydrophobicContact CD2-CD2 4.38Å; F65-L179 HydrophobicContact CE1-CD2 4.24Å; F65-L179 HydrophobicContact CE2-CD1 3.83Å; F65-L179 HydrophobicContact CE2-CD2 4.47Å; F65-L179 HydrophobicContact CG-CD1 4.17Å; F65-L179 HydrophobicContact CG-CD2 4.19Å; F65-L179 HydrophobicContact CZ-CD1 4.47Å; F65-L179 HydrophobicContact CZ-CD2 4.38Å; F65-W180 HydrophobicContact CE2-CH2 4.4Å; F65-W180 HydrophobicContact CE2-CZ2 4.42Å; F65-W180 HydrophobicContact CZ-CH2 4.47Å; F65-F201 HydrophobicContact CD1-CE2 4.19Å; F65-F201 HydrophobicContact CD1-CZ 4.49Å; F65-F201 HydrophobicContact CE1-CD2 4.24Å; F65-F201 HydrophobicContact CE1-CE1 4.49Å; F65-F201 AromaticContact CE1-CE2 3.35Å; F65-F201 HydrophobicContact CE1-CE2 3.35Å; F65-F201 AromaticContact CE1-CZ 3.52Å; F65-F201 HydrophobicContact CE1-CZ 3.52Å; F65-F201 HydrophobicContact CZ-CD2 4.26Å; F65-F201 AromaticContact CZ-CE2 3.81Å; F65-F201 HydrophobicContact CZ-CE2 3.81Å; F65-F201 HydrophobicContact CZ-CZ 4.15Å; F65-L414 HydrophobicContact CD1-CD1 4.18Å; F65-L416 HydrophobicContact CD1-CB 3.7Å; F65-L416 HydrophobicContact CD1-CD2 4.48Å; F65-L416 HydrophobicContact CE1-CB 3.88Å; F65-L416 HydrophobicContact CE1-CD2 3.93Å
66	W	98.9	Very high	96.7	Very high	30 Å²	30	41.2 Å²	41.2	11%	0.114	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	122.5	167	-72.1	-106	0	0	0	108.6	Q64 R88 P90 L414 W415 N417	Q64-W66 HydrophobicContact CB-CE3 4.32Å; Q64-W66 HydrophobicContact CB-CH2 3.64Å; Q64-W66 HydrophobicContact CB-CZ3 3.4Å; Q64-W66 VanDerWaalsContact CB-CZ3 3.4Å; Q64-W66 HydrophobicContact CG-CH2 4.47Å; W66-R88 WeakPolarHBondContact CA-O 3.25Å; W66-P90 HydrophobicContact CD2-CB 4.46Å; W66-P90 HydrophobicContact CH2-CB 3.83Å; W66-P90 HydrophobicContact CZ2-CB 3.59Å; W66-P90 HydrophobicContact CZ2-CG 4.07Å; W66-P90 HydrophobicContact CZ3-CB 4.36Å; W66-L414 CarbonylContact O-C 3.54Å; W66-L414 WeakPolarHBondContact O-CA 3.36Å; W66-L414 VanDerWaalsContact O-CB 3.29Å; W66-L414 WeakPolarHBondContact O-CB 3.32Å; W66-W415 HydrophobicContact CB-CD2 4.1Å; W66-W415 HydrophobicContact CB-CG 4.16Å; W66-W415 HydrophobicContact CB-CZ2 4.09Å; W66-W415 VanDerWaalsContact CB-NE1 3.28Å; W66-W415 AromaticContact CD1-CZ2 3.97Å; W66-W415 HydrophobicContact CD2-CD2 4.23Å; W66-W415 AromaticContact CD2-CE2 3.61Å; W66-W415 HydrophobicContact CD2-CE3 4.48Å; W66-W415 AromaticContact CD2-CH2 3.57Å; W66-W415 HydrophobicContact CD2-CH2 3.57Å; W66-W415 AromaticContact CD2-CZ2 3.24Å; W66-W415 HydrophobicContact CD2-CZ2 3.24Å; W66-W415 HydrophobicContact CD2-CZ3 4.19Å; W66-W415 AromaticContact CE2-CH2 3.79Å; W66-W415 AromaticContact CE2-CZ2 3.59Å; W66-W415 AromaticContact CE3-CD2 3.88Å; W66-W415 HydrophobicContact CE3-CD2 3.88Å; W66-W415 AromaticContact CE3-CE2 3.72Å; W66-W415 AromaticContact CE3-CE3 3.76Å; W66-W415 HydrophobicContact CE3-CE3 3.76Å; W66-W415 AromaticContact CE3-CH2 3.32Å; W66-W415 HydrophobicContact CE3-CH2 3.32Å; W66-W415 AromaticContact CE3-CZ2 3.46Å; W66-W415 HydrophobicContact CE3-CZ2 3.46Å; W66-W415 VanDerWaalsContact CE3-CZ2 3.46Å; W66-W415 AromaticContact CE3-CZ3 3.49Å; W66-W415 HydrophobicContact CE3-CZ3 3.49Å; W66-W415 VanDerWaalsContact CE3-CZ3 3.49Å; W66-W415 HydrophobicContact CG-CD2 4.36Å; W66-W415 AromaticContact CG-CE2 3.56Å; W66-W415 HydrophobicContact CG-CH2 4.34Å; W66-W415 AromaticContact CG-CZ2 3.54Å; W66-W415 HydrophobicContact CG-CZ2 3.54Å; W66-W415 AromaticContact CG-NE1 3.7Å; W66-W415 AromaticContact CH2-CH2 3.61Å; W66-W415 HydrophobicContact CH2-CH2 3.61Å; W66-W415 HydrophobicContact CH2-CZ2 4.28Å; W66-W415 HydrophobicContact CH2-CZ3 4.08Å; W66-W415 AromaticContact CZ2-CH2 3.83Å; W66-W415 HydrophobicContact CZ2-CH2 3.83Å; W66-W415 HydrophobicContact CZ2-CZ2 4.1Å; W66-W415 HydrophobicContact CZ3-CE3 4.09Å; W66-W415 AromaticContact CZ3-CH2 3.35Å; W66-W415 HydrophobicContact CZ3-CH2 3.35Å; W66-W415 AromaticContact CZ3-CZ2 3.98Å; W66-W415 HydrophobicContact CZ3-CZ2 3.98Å; W66-W415 AromaticContact CZ3-CZ3 3.43Å; W66-W415 HydrophobicContact CZ3-CZ3 3.43Å; W66-W415 VanDerWaalsContact CZ3-CZ3 3.43Å; W66-W415 PolarHBondContact N-O 2.91Å; W66-W415 PolarHBondContact O-N 3.31Å; W66-N417 HydrophobicContact CH2-CB 4.28Å; W66-N417 HydrophobicContact CZ3-CB 3.84Å
67	I	98.9	Very high	96.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	136.4	-179.1	-47.8	-54	0	0	0	108.9	F65 D69 Q87 R88 F135 V137 L175 L178 L414	F65-I67 HydrophobicContact CB-CD1 4.44Å; I67-D69 PolarHBondContact O-N 2.87Å; I67-Q87 CarbonylContact O-C 3.46Å; I67-Q87 WeakPolarHBondContact O-CA 3.13Å; I67-R88 PolarHBondContact N-O 3.25Å; I67-R88 PolarHBondContact O-N 3.15Å; I67-F135 HydrophobicContact CB-CD1 3.81Å; I67-F135 HydrophobicContact CB-CE1 3.88Å; I67-F135 HydrophobicContact CB-CG 4.14Å; I67-F135 HydrophobicContact CB-CZ 4.27Å; I67-F135 HydrophobicContact CG1-CD1 4.36Å; I67-F135 HydrophobicContact CG1-CD2 4.36Å; I67-F135 HydrophobicContact CG1-CE1 4.1Å; I67-F135 HydrophobicContact CG1-CE2 4.11Å; I67-F135 HydrophobicContact CG1-CG 4.48Å; I67-F135 HydrophobicContact CG1-CZ 3.97Å; I67-F135 HydrophobicContact CG2-CB 4.01Å; I67-F135 HydrophobicContact CG2-CD1 3.81Å; I67-F135 HydrophobicContact CG2-CD2 4.24Å; I67-F135 HydrophobicContact CG2-CE1 4.37Å; I67-F135 HydrophobicContact CG2-CG 3.73Å; I67-V137 HydrophobicContact CG2-CG1 4Å; I67-L175 HydrophobicContact CD1-CD1 3.87Å; I67-L175 HydrophobicContact CG1-CD1 3.7Å; I67-L178 HydrophobicContact CD1-CD2 4.18Å; I67-L178 HydrophobicContact CG2-CD2 3.86Å; I67-L414 HydrophobicContact CD1-CB 3.64Å; I67-L414 HydrophobicContact CD1-CD2 3.91Å; I67-L414 HydrophobicContact CD1-CG 4.45Å
68	F	98.9	Very high	97.3	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.009	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	96.1	171.8	-72.1	-72.6	0	0	0	109.5	V70 V85 Q87 H345 L360 Q388 P412 I413 W415	F68-V70 PolarHBondContact O-N 3.44Å; F68-V85 HydrophobicContact CB-CB 4.04Å; F68-V85 HydrophobicContact CB-CG1 4.12Å; F68-V85 HydrophobicContact CD1-CB 4Å; F68-V85 HydrophobicContact CD1-CG2 3.65Å; F68-V85 HydrophobicContact CE1-CG2 4.3Å; F68-V85 HydrophobicContact CG-CB 4.45Å; F68-V85 HydrophobicContact CG-CG2 4.41Å; F68-Q87 HydrophobicContact CD1-CB 4.34Å; F68-Q87 HydrophobicContact CE1-CB 4.24Å; F68-H345 AromaticContact CE1-CE1 3.72Å; F68-H345 AromaticContact CZ-NE2 3.91Å; F68-L360 HydrophobicContact CD1-CD2 4.32Å; F68-L360 HydrophobicContact CE1-CD2 3.66Å; F68-L360 HydrophobicContact CZ-CD2 4.04Å; F68-Q388 HydrophobicContact CE2-CG 4.27Å; F68-Q388 VanDerWaalsContact CE2-OE1 3.29Å; F68-P412 HydrophobicContact CD2-CB 3.63Å; F68-P412 HydrophobicContact CD2-CG 4.23Å; F68-P412 HydrophobicContact CE2-CB 3.83Å; F68-P412 HydrophobicContact CG-CB 4.19Å; F68-P412 HydrophobicContact CG-CG 4.3Å; F68-I413 PolarHBondContact N-O 3.03Å; F68-W415 HydrophobicContact CE2-CB 4.43Å; F68-W415 AromaticContact CE2-CD1 3.7Å; F68-W415 HydrophobicContact CE2-CG 4.47Å; F68-W415 AromaticContact CZ-CD1 3.61Å
69	D	98.8	Very high	97.9	Very high	21 Å²	21	40 Å²	40	11%	0.112	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	118.9	179.2	-160.6	2.9	0	0	0	109.5	I67 Q71 V85 K86 R88 F135 T136	I67-D69 PolarHBondContact O-N 2.87Å; D69-Q71 PolarHBondContact O-NE2 2.86Å; D69-V85 WeakPolarHBondContact O-CA 3.48Å; D69-K86 WeakPolarHBondContact CB-O 3.25Å; D69-K86 PolarHBondContact N-O 3Å; D69-K86 PolarHBondContact O-N 3.12Å; D69-R88 WeakPolarHBondContact OD2-CD 3.43Å; D69-R88 IonicContact OD2-CZ 3.1Å; D69-R88 IonicContact OD2-NH1 3.67Å; D69-R88 PolarHBondContact OD2-NH1 3.44Å; D69-F135 HydrophobicContact CB-CD1 4.21Å; D69-T136 PolarHBondContact OD1-N 2.02Å
70	V	98.9	Very high	98.1	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.03	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	124.7	-175.2	178.1	0	0	0	0	110.5	F68 P73 I83 V85 T136 F170	F68-V70 PolarHBondContact O-N 3.44Å; V70-P73 HydrophobicContact CG1-CB 4.19Å; V70-I83 HydrophobicContact CG1-CG2 3.85Å; V70-I83 HydrophobicContact CG2-CG2 4.03Å; V70-V85 HydrophobicContact CG2-CG1 4.4Å; V70-T136 HydrophobicContact CB-CG2 4.11Å; V70-T136 WeakPolarHBondContact CB-O 3.3Å; V70-T136 WeakPolarHBondContact CG2-O 3.33Å; V70-T136 PolarHBondContact N-O 3.02Å; V70-T136 WeakPolarHBondContact O-CB 3.37Å; V70-F170 HydrophobicContact CB-CD1 4.37Å; V70-F170 HydrophobicContact CB-CE1 4.34Å; V70-F170 HydrophobicContact CG1-CD1 4.15Å; V70-F170 HydrophobicContact CG1-CE1 3.88Å; V70-F170 HydrophobicContact CG1-CZ 4.31Å; V70-F170 HydrophobicContact CG2-CD1 4.14Å; V70-F170 HydrophobicContact CG2-CE1 3.89Å
71	Q	98.8	Very high	98.3	Very high	98 Å²	98	35.7 Å²	35.7	46%	0.458	18%	0.175	S	C	.	.	S	Bend	trans	-92.6	-28.3	-173	-53.4	-57.6	-68.5	0	0	113.2	D69 P73 Q84 K86	D69-Q71 PolarHBondContact O-NE2 2.86Å; Q71-P73 VanDerWaalsContact C-CD 3.4Å; Q71-P73 WeakPolarHBondContact O-CD 3.39Å; Q71-Q84 HydrophobicContact CB-CB 4.05Å; Q71-Q84 PolarHBondContact N-O 3.37Å; Q71-K86 HydrophobicContact CG-CB 4.24Å
72	N	98.6	Very high	98.3	Very high	15 Å²	15	36.8 Å²	36.8	8%	0.08	18%	0.181	C	C	.	.			trans	-125.1	49.6	-175.2	68.5	-26.5	0	0	0	114	Q74 E75 V76 S81 N82 Q84	N72-Q74 VanDerWaalsContact C-N 3.31Å; N72-Q74 PolarHBondContact O-N 3.1Å; N72-E75 HydrophobicContact CB-CB 4.15Å; N72-E75 PolarHBondContact ND2-OE2 2.67Å; N72-E75 PolarHBondContact O-N 3.25Å; N72-E75 VanDerWaalsContact O-N 3.15Å; N72-V76 WeakPolarHBondContact O-CG2 3.46Å; N72-V76 PolarHBondContact O-N 3.01Å; N72-S81 PolarHBondContact ND2-OG 3.03Å; N72-N82 PolarHBondContact ND2-O 3.49Å; N72-Q84 WeakPolarHBondContact OD1-CB 3.11Å; N72-Q84 PolarHBondContact OD1-N 3.31Å
73	P	98.4	Very high	98.3	Very high	29 Å²	29	34.2 Å²	34.2	19%	0.188	17%	0.171	C	C	.	.	H	α-helix	trans	-58.9	-37.4	-171	26.9	-37.8	0	0	0	114	V70 Q71 M77 T136 F170	V70-P73 HydrophobicContact CG1-CB 4.19Å; Q71-P73 VanDerWaalsContact C-CD 3.4Å; Q71-P73 WeakPolarHBondContact O-CD 3.39Å; P73-M77 WeakPolarHBondContact O-CB 3.46Å; P73-M77 PolarHBondContact O-N 2.95Å; P73-M77 VanDerWaalsContact O-N 3.13Å; P73-T136 HydrophobicContact CB-CG2 3.98Å; P73-T136 HydrophobicContact CG-CG2 3.97Å; P73-F170 HydrophobicContact CB-CB 3.8Å; P73-F170 HydrophobicContact CB-CD1 4.34Å; P73-F170 HydrophobicContact CB-CD2 3.59Å; P73-F170 HydrophobicContact CB-CE2 4.25Å; P73-F170 HydrophobicContact CB-CG 3.64Å; P73-F170 WeakPolarHBondContact O-CD2 3.37Å; P73-F170 WeakPolarHBondContact O-CE2 3.29Å
74	Q	98.1	Very high	98.3	Very high	123 Å²	123	38 Å²	38	58%	0.575	19%	0.189	S	C	*	.	H	α-helix	trans	-71.4	-38.4	-179.4	-64.9	-61	-23.1	0	0	112.2	N72 M77 M78	N72-Q74 VanDerWaalsContact C-N 3.31Å; N72-Q74 PolarHBondContact O-N 3.1Å; Q74-M77 PolarHBondContact O-N 2.86Å; Q74-M77 VanDerWaalsContact OE1-CE 3.25Å; Q74-M78 VanDerWaalsContact O-CB 3.26Å; Q74-M78 WeakPolarHBondContact O-CB 3.32Å; Q74-M78 VanDerWaalsContact O-CG 3.28Å; Q74-M78 WeakPolarHBondContact O-CG 3.27Å; Q74-M78 PolarHBondContact O-N 3.33Å
75	E	98.1	Very high	98.3	Very high	84 Å²	84	36.5 Å²	36.5	39%	0.393	18%	0.183	S	C	.	.	H	α-helix	trans	-65.9	-42.7	179	-162.6	-164.8	170.7	0	0	110.8	N72 M78 N79 S80 S81	N72-E75 HydrophobicContact CB-CB 4.15Å; N72-E75 PolarHBondContact ND2-OE2 2.67Å; N72-E75 PolarHBondContact O-N 3.25Å; N72-E75 VanDerWaalsContact O-N 3.15Å; E75-M78 PolarHBondContact O-N 3.34Å; E75-N79 HydrophobicContact CG-CB 4.48Å; E75-N79 WeakPolarHBondContact O-CA 3.39Å; E75-N79 VanDerWaalsContact O-CB 3.3Å; E75-N79 WeakPolarHBondContact O-CB 3.26Å; E75-N79 PolarHBondContact O-N 2.92Å; E75-S80 PolarHBondContact O-N 2.93Å; E75-S81 VanDerWaalsContact C-OG 3.26Å; E75-S81 WeakPolarHBondContact CG-OG 3.48Å; E75-S81 PolarHBondContact O-OG 3.41Å; E75-S81 WeakPolarHBondContact OE1-CB 3.47Å
76	V	98.2	Very high	98.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.4	-50	175.9	177.8	0	0	0	0	110.2	N72 M78 S80 S81 I83 M169 F170	N72-V76 WeakPolarHBondContact O-CG2 3.46Å; N72-V76 PolarHBondContact O-N 3.01Å; V76-M78 VanDerWaalsContact C-N 3.34Å; V76-M78 PolarHBondContact O-N 2.91Å; V76-S80 WeakPolarHBondContact O-CA 3.18Å; V76-S80 PolarHBondContact O-N 3.15Å; V76-S81 WeakPolarHBondContact CA-OG 3.29Å; V76-S81 PolarHBondContact N-OG 2.93Å; V76-I83 HydrophobicContact CG1-CD1 4.37Å; V76-I83 HydrophobicContact CG1-CG1 3.94Å; V76-I83 HydrophobicContact CG2-CB 4.26Å; V76-I83 HydrophobicContact CG2-CG1 3.9Å; V76-I83 HydrophobicContact CG2-CG2 4.47Å; V76-M169 HydrophobicContact CG1-CE 3.96Å; V76-M169 HydrophobicContact CG1-SD 4.45Å; V76-F170 HydrophobicContact CB-CE2 3.88Å; V76-F170 HydrophobicContact CB-CZ 4.07Å; V76-F170 HydrophobicContact CG1-CE2 3.93Å; V76-F170 HydrophobicContact CG1-CZ 3.87Å
77	M	97.1	Very high	98.3	Very high	26 Å²	26	44.8 Å²	44.8	13%	0.128	22%	0.22	C	C	.	.	H	α-helix	trans	-64.1	-37.1	-177.7	-173.4	-178.9	67.4	0	0	112.6	P73 Q74 S168 M169 V401 R404	P73-M77 WeakPolarHBondContact O-CB 3.46Å; P73-M77 PolarHBondContact O-N 2.95Å; P73-M77 VanDerWaalsContact O-N 3.13Å; Q74-M77 PolarHBondContact O-N 2.86Å; Q74-M77 VanDerWaalsContact OE1-CE 3.25Å; M77-S168 PolarHBondContact SD-OG 3.16Å; M77-M169 HydrophobicContact CB-CB 4.45Å; M77-M169 HydrophobicContact CB-SD 4.15Å; M77-M169 HydrophobicContact CG-CB 4.04Å; M77-M169 HydrophobicContact CG-SD 4.34Å; M77-M169 HydrophobicContact SD-CB 4.03Å; M77-V401 WeakPolarHBondContact CG-O 3.39Å; M77-R404 WeakPolarHBondContact O-CB 3.4Å
78	M	96.5	Very high	98.3	Very high	75 Å²	75	48.1 Å²	48.1	37%	0.369	23%	0.233	S	C	.	.	H	α-helix	trans	-94.8	-34.4	-171.9	-65.6	-64.3	-84.5	0	0	114.1	Q74 E75 V76 R404	Q74-M78 VanDerWaalsContact O-CB 3.26Å; Q74-M78 WeakPolarHBondContact O-CB 3.32Å; Q74-M78 VanDerWaalsContact O-CG 3.28Å; Q74-M78 WeakPolarHBondContact O-CG 3.27Å; Q74-M78 PolarHBondContact O-N 3.33Å; E75-M78 PolarHBondContact O-N 3.34Å; V76-M78 VanDerWaalsContact C-N 3.34Å; V76-M78 PolarHBondContact O-N 2.91Å; M78-R404 WeakPolarHBondContact O-CD 3.41Å
79	N	97.4	Very high	98.3	Very high	98 Å²	98	48.9 Å²	48.9	52%	0.524	24%	0.241	S	C	.	.	H	α-helix	trans	-114.1	-9	-172.6	-59.8	-19.6	0	0	0	112.8	E75 S81	E75-N79 HydrophobicContact CG-CB 4.48Å; E75-N79 WeakPolarHBondContact O-CA 3.39Å; E75-N79 VanDerWaalsContact O-CB 3.3Å; E75-N79 WeakPolarHBondContact O-CB 3.26Å; E75-N79 PolarHBondContact O-N 2.92Å; N79-S81 VanDerWaalsContact C-N 3.26Å; N79-S81 PolarHBondContact O-N 3.44Å
80	S	97.7	Very high	98.2	Very high	8 Å²	8	49.6 Å²	49.6	6%	0.056	25%	0.247	C	C	.	.			trans	57.6	39.1	-171.2	-156.8	0	0	0	0	112.3	E75 V76 K406 R407 Y409	E75-S80 PolarHBondContact O-N 2.93Å; V76-S80 WeakPolarHBondContact O-CA 3.18Å; V76-S80 PolarHBondContact O-N 3.15Å; S80-K406 PolarHBondContact OG-N 2.93Å; S80-R407 PolarHBondContact O-NE 3.44Å; S80-R407 PolarHBondContact O-NH2 2.9Å; S80-Y409 WeakPolarHBondContact CA-OH 3.26Å; S80-Y409 PolarHBondContact O-OH 2.69Å; S80-Y409 PolarHBondContact OG-OH 3.22Å
81	S	98.3	Very high	98.2	Very high	18 Å²	18	49.4 Å²	49.4	13%	0.126	25%	0.246	C	C	.	.			trans	-65.9	175	173	63.5	0	0	0	0	111.9	N72 E75 V76 N79 R407 Y409	N72-S81 PolarHBondContact ND2-OG 3.03Å; E75-S81 VanDerWaalsContact C-OG 3.26Å; E75-S81 WeakPolarHBondContact CG-OG 3.48Å; E75-S81 PolarHBondContact O-OG 3.41Å; E75-S81 WeakPolarHBondContact OE1-CB 3.47Å; V76-S81 WeakPolarHBondContact CA-OG 3.29Å; V76-S81 PolarHBondContact N-OG 2.93Å; N79-S81 VanDerWaalsContact C-N 3.26Å; N79-S81 PolarHBondContact O-N 3.44Å; S81-R407 VanDerWaalsContact C-NH2 3.26Å; S81-R407 PolarHBondContact O-NH2 2.91Å; S81-Y409 WeakPolarHBondContact O-CE1 3.15Å; S81-Y409 PolarHBondContact O-OH 3.14Å
82	N	98.5	Very high	98.2	Very high	36 Å²	36	44.8 Å²	44.8	19%	0.193	22%	0.224	C	C	.	.			trans	-67.5	149.6	167.3	-80.4	19.2	0	0	0	110	N72 Q84 E355 T356 D358 R407	N72-N82 PolarHBondContact ND2-O 3.49Å; N82-Q84 PolarHBondContact O-N 2.93Å; N82-E355 PolarHBondContact ND2-O 3.17Å; N82-T356 WeakPolarHBondContact CA-O 3.28Å; N82-D358 VanDerWaalsContact CB-OD2 3.23Å; N82-D358 WeakPolarHBondContact CB-OD2 3.31Å; N82-D358 PolarHBondContact ND2-OD1 2.96Å; N82-R407 VanDerWaalsContact OD1-CZ 3.26Å; N82-R407 PolarHBondContact OD1-NH1 2.81Å; N82-R407 PolarHBondContact OD1-NH2 2.93Å
83	I	98.8	Very high	98.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	111.9	177.2	-48.4	-175.2	0	0	0	108.1	V70 V76 V85 T356 I357 D358 Y409 V411	V70-I83 HydrophobicContact CG1-CG2 3.85Å; V70-I83 HydrophobicContact CG2-CG2 4.03Å; V76-I83 HydrophobicContact CG1-CD1 4.37Å; V76-I83 HydrophobicContact CG1-CG1 3.94Å; V76-I83 HydrophobicContact CG2-CB 4.26Å; V76-I83 HydrophobicContact CG2-CG1 3.9Å; V76-I83 HydrophobicContact CG2-CG2 4.47Å; I83-V85 HydrophobicContact CG2-CG1 3.86Å; I83-T356 PolarHBondContact N-O 2.8Å; I83-I357 HydrophobicContact CB-CD1 3.85Å; I83-I357 HydrophobicContact CD1-CD1 3.85Å; I83-I357 HydrophobicContact CG1-CD1 3.98Å; I83-I357 CarbonylContact O-C 3.57Å; I83-I357 WeakPolarHBondContact O-CA 3.47Å; I83-D358 PolarHBondContact O-N 3.12Å; I83-Y409 HydrophobicContact CD1-CD1 3.72Å; I83-Y409 HydrophobicContact CD1-CE1 4.35Å; I83-Y409 HydrophobicContact CD1-CG 4.2Å; I83-Y409 HydrophobicContact CG1-CD1 3.78Å; I83-Y409 HydrophobicContact CG1-CE1 3.96Å; I83-V411 HydrophobicContact CD1-CB 4.27Å; I83-V411 HydrophobicContact CD1-CG1 3.84Å; I83-V411 HydrophobicContact CD1-CG2 3.63Å
84	Q	98.8	Very high	98.3	Very high	88 Å²	88	46.4 Å²	46.4	41%	0.411	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	121.5	172.2	-66.6	178.2	-7.1	0	0	108.9	Q71 N72 N82 D358	Q71-Q84 HydrophobicContact CB-CB 4.05Å; Q71-Q84 PolarHBondContact N-O 3.37Å; N72-Q84 WeakPolarHBondContact OD1-CB 3.11Å; N72-Q84 PolarHBondContact OD1-N 3.31Å; N82-Q84 PolarHBondContact O-N 2.93Å; Q84-D358 HydrophobicContact CG-CB 4.01Å
85	V	98.8	Very high	98.3	Very high	11 Å²	11	40.6 Å²	40.6	7%	0.067	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	146.7	-180	-62.4	0	0	0	0	111.1	F68 D69 V70 I83 I357 D358 L360	F68-V85 HydrophobicContact CB-CB 4.04Å; F68-V85 HydrophobicContact CB-CG1 4.12Å; F68-V85 HydrophobicContact CD1-CB 4Å; F68-V85 HydrophobicContact CD1-CG2 3.65Å; F68-V85 HydrophobicContact CE1-CG2 4.3Å; F68-V85 HydrophobicContact CG-CB 4.45Å; F68-V85 HydrophobicContact CG-CG2 4.41Å; D69-V85 WeakPolarHBondContact O-CA 3.48Å; V70-V85 HydrophobicContact CG2-CG1 4.4Å; I83-V85 HydrophobicContact CG2-CG1 3.86Å; V85-I357 HydrophobicContact CG1-CG2 4.21Å; V85-I357 HydrophobicContact CG2-CG2 3.74Å; V85-D358 WeakPolarHBondContact CG2-O 3.37Å; V85-D358 PolarHBondContact N-O 2.89Å; V85-L360 HydrophobicContact CG2-CD2 4.01Å
86	K	98.7	Very high	98.1	Very high	134 Å²	134	40 Å²	40	58%	0.583	19%	0.192	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.3	121	167.5	-173	175.1	-179.3	178.8	0	108.6	D69 Q71	D69-K86 WeakPolarHBondContact CB-O 3.25Å; D69-K86 PolarHBondContact N-O 3Å; D69-K86 PolarHBondContact O-N 3.12Å; Q71-K86 HydrophobicContact CG-CB 4.24Å
87	Q	98.3	Very high	98	Very high	70 Å²	70	42.7 Å²	42.7	33%	0.327	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	139.2	175.5	72.6	166.4	11.2	0	0	111.1	I67 F68 H345	I67-Q87 CarbonylContact O-C 3.46Å; I67-Q87 WeakPolarHBondContact O-CA 3.13Å; F68-Q87 HydrophobicContact CD1-CB 4.34Å; F68-Q87 HydrophobicContact CE1-CB 4.24Å; Q87-H345 PolarHBondContact OE1-NE2 2.84Å
88	R	98.8	Very high	98	Very high	69 Å²	69	44.4 Å²	44.4	26%	0.26	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	121.5	175.4	-73.1	175.3	60	-157.1	-8.4	109.8	W66 I67 D69 D133 N134 F135	W66-R88 WeakPolarHBondContact CA-O 3.25Å; I67-R88 PolarHBondContact N-O 3.25Å; I67-R88 PolarHBondContact O-N 3.15Å; D69-R88 WeakPolarHBondContact OD2-CD 3.43Å; D69-R88 IonicContact OD2-CZ 3.1Å; D69-R88 IonicContact OD2-NH1 3.67Å; D69-R88 PolarHBondContact OD2-NH1 3.44Å; R88-D133 IonicContact NH2-OD2 3.46Å; R88-N134 PolarHBondContact NH1-O 3.2Å; R88-F135 HydrophobicContact CB-CD1 4.5Å; R88-F135 HydrophobicContact CB-CE1 3.79Å; R88-F135 VanDerWaalsContact CZ-CE1 3.41Å
89	G	98.1	Very high	98.1	Very high	18 Å²	18	42.6 Å²	42.6	19%	0.186	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.4	-175.7	-178	0	0	0	0	0	111.3
90	P	98.6	Very high	98.1	Very high	36 Å²	36	39 Å²	39	23%	0.234	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-76.5	146.8	-0.3	28.6	-33	0	0	0	113	Q64 F65 W66 S127 V128	Q64-P90 HydrophobicContact CB-CB 3.9Å; Q64-P90 HydrophobicContact CG-CB 4.31Å; F65-P90 CarbonylContact O-C 3.44Å; F65-P90 WeakPolarHBondContact O-CA 3.35Å; W66-P90 HydrophobicContact CD2-CB 4.46Å; W66-P90 HydrophobicContact CH2-CB 3.83Å; W66-P90 HydrophobicContact CZ2-CB 3.59Å; W66-P90 HydrophobicContact CZ2-CG 4.07Å; W66-P90 HydrophobicContact CZ3-CB 4.36Å; P90-S127 CarbonylContact O-C 3.55Å; P90-S127 WeakPolarHBondContact O-CA 3.45Å; P90-V128 PolarHBondContact O-N 3.47Å
91	Y	98.9	Very high	98	Very high	1 Å²	1	43 Å²	43	0%	0.004	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	114.3	157	-63	-89.3	0	0	0	108.5	Q64 F65 F122 V128 T130 D133 F135 L175	Q64-Y91 CarbonylContact C-O 3.57Å; Q64-Y91 WeakPolarHBondContact CA-O 3.27Å; F65-Y91 PolarHBondContact N-O 3.37Å; F65-Y91 PolarHBondContact O-N 3.31Å; Y91-F122 HydrophobicContact CD1-CE2 4.42Å; Y91-F122 HydrophobicContact CD1-CZ 4.5Å; Y91-V128 HydrophobicContact CD2-CG1 4.49Å; Y91-V128 HydrophobicContact CE1-CG1 4.18Å; Y91-V128 HydrophobicContact CE2-CG1 3.98Å; Y91-T130 WeakPolarHBondContact CE1-O 3.44Å; Y91-D133 HydrophobicContact CE1-CB 4.14Å; Y91-D133 WeakPolarHBondContact CE1-OD2 3.49Å; Y91-D133 WeakPolarHBondContact OH-CB 3.38Å; Y91-D133 PolarHBondContact OH-OD2 2.88Å; Y91-F135 HydrophobicContact CD2-CZ 4.48Å; Y91-F135 HydrophobicContact CE2-CE1 4.13Å; Y91-F135 AromaticContact CE2-CZ 3.53Å; Y91-F135 HydrophobicContact CE2-CZ 3.53Å; Y91-F135 AromaticContact CZ-CZ 3.6Å; Y91-F135 WeakPolarHBondContact OH-CZ 3.32Å; Y91-L175 HydrophobicContact CD1-CD1 4.42Å; Y91-L175 HydrophobicContact CD1-CD2 3.44Å; Y91-L175 VanDerWaalsContact CD1-CD2 3.44Å; Y91-L175 HydrophobicContact CD1-CG 4.45Å; Y91-L175 HydrophobicContact CD2-CD1 3.81Å; Y91-L175 HydrophobicContact CD2-CD2 4.25Å; Y91-L175 HydrophobicContact CE1-CD2 4.19Å; Y91-L175 HydrophobicContact CE2-CD1 4.29Å; Y91-L175 HydrophobicContact CG-CD1 3.89Å; Y91-L175 HydrophobicContact CG-CD2 3.46Å; Y91-L175 VanDerWaalsContact CG-CD2 3.46Å; Y91-L175 HydrophobicContact CG-CG 4.3Å
92	T	98.9	Very high	98	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	131.7	-164.3	-59.1	0	0	0	0	111.2	Y62 Q64 F122 E123 L126 S127	Y62-T92 HydrophobicContact CD1-CG2 3.89Å; Y62-T92 HydrophobicContact CG-CG2 4.32Å; Q64-T92 HydrophobicContact CG-CG2 4.08Å; T92-F122 WeakPolarHBondContact O-CD2 3.05Å; T92-E123 HydrophobicContact CG2-CB 4.27Å; T92-E123 PolarHBondContact O-N 3.06Å; T92-L126 WeakPolarHBondContact CB-O 3.24Å; T92-L126 HydrophobicContact CG2-CB 3.81Å; T92-L126 HydrophobicContact CG2-CD1 4.1Å; T92-L126 PolarHBondContact OG1-O 2.75Å; T92-S127 PolarHBondContact N-OG 3.28Å
93	Y	98.8	Very high	98	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.008	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	135.5	172.9	-68.8	-101.1	0	0	0	110.5	Y62 R63 F65 A120 I121 F122 E131 L175 L179 W180	Y62-Y93 CarbonylContact C-O 3.58Å; Y62-Y93 WeakPolarHBondContact CA-O 3.31Å; R63-Y93 PolarHBondContact N-O 3.29Å; R63-Y93 PolarHBondContact O-N 3.35Å; F65-Y93 AromaticContact CD2-CD2 3.72Å; F65-Y93 HydrophobicContact CD2-CD2 3.72Å; F65-Y93 AromaticContact CD2-CE2 3.92Å; F65-Y93 HydrophobicContact CD2-CE2 3.92Å; F65-Y93 AromaticContact CE2-CD2 3.62Å; F65-Y93 HydrophobicContact CE2-CD2 3.62Å; F65-Y93 HydrophobicContact CE2-CE2 4.02Å; F65-Y93 HydrophobicContact CE2-CG 4.41Å; Y93-A120 HydrophobicContact CD1-CB 3.95Å; Y93-A120 HydrophobicContact CG-CB 4.39Å; Y93-I121 CarbonylContact C-O 3.6Å; Y93-I121 WeakPolarHBondContact CA-O 3.23Å; Y93-F122 VanDerWaalsContact CD1-CA 3.48Å; Y93-F122 HydrophobicContact CD1-CB 3.88Å; Y93-F122 HydrophobicContact CD1-CD2 4.2Å; Y93-F122 HydrophobicContact CD2-CD2 4.12Å; Y93-F122 HydrophobicContact CE1-CB 3.54Å; Y93-F122 AromaticContact CE1-CD2 3.76Å; Y93-F122 HydrophobicContact CE1-CD2 3.76Å; Y93-F122 HydrophobicContact CE1-CG 4.08Å; Y93-F122 AromaticContact CE2-CD2 3.69Å; Y93-F122 HydrophobicContact CE2-CD2 3.69Å; Y93-F122 HydrophobicContact CE2-CE2 4.24Å; Y93-F122 HydrophobicContact CG-CD2 4.36Å; Y93-F122 AromaticContact CZ-CD2 3.48Å; Y93-F122 VanDerWaalsContact CZ-CD2 3.48Å; Y93-E131 VanDerWaalsContact CE1-OE1 3.32Å; Y93-E131 WeakPolarHBondContact CE1-OE1 3.36Å; Y93-E131 WeakPolarHBondContact OH-CG 3.17Å; Y93-E131 PolarHBondContact OH-OE1 3.3Å; Y93-L175 HydrophobicContact CE2-CD2 4.32Å; Y93-L179 HydrophobicContact CE2-CD1 3.77Å; Y93-W180 AromaticContact CD1-CZ2 3.75Å; Y93-W180 HydrophobicContact CD1-CZ2 3.75Å; Y93-W180 HydrophobicContact CD2-CZ2 4.23Å; Y93-W180 AromaticContact CE1-CE2 3.84Å; Y93-W180 AromaticContact CE1-CZ2 3.53Å; Y93-W180 HydrophobicContact CE1-CZ2 3.53Å; Y93-W180 AromaticContact CE1-NE1 3.59Å; Y93-W180 HydrophobicContact CE2-CZ2 4.03Å; Y93-W180 HydrophobicContact CG-CZ2 4.1Å; Y93-W180 AromaticContact CZ-CE2 3.92Å; Y93-W180 AromaticContact CZ-CZ2 3.68Å; Y93-W180 AromaticContact CZ-NE1 3.53Å; Y93-W180 PolarHBondContact OH-NE1 3.41Å
94	R	98.4	Very high	97.9	Very high	76 Å²	76	52.9 Å²	52.9	29%	0.287	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	123.9	163.6	-174.6	-178.7	-178.6	152.6	11.2	109.1	E60 Y62 F97 A120 I121 E123	E60-R94 IonicContact OE1-CZ 3.87Å; E60-R94 IonicContact OE1-NH1 2.97Å; E60-R94 PolarHBondContact OE1-NH1 3.33Å; E60-R94 VanDerWaalsContact OE1-NH1 3.1Å; E60-R94 IonicContact OE1-NH2 2.87Å; E60-R94 PolarHBondContact OE1-NH2 3.42Å; Y62-R94 HydrophobicContact CD1-CB 4.23Å; Y62-R94 HydrophobicContact CE1-CB 4.14Å; Y62-R94 HydrophobicContact CE1-CG 4.43Å; R94-F97 HydrophobicContact CG-CD1 4.24Å; R94-A120 WeakPolarHBondContact O-CA 3.37Å; R94-I121 HydrophobicContact CB-CB 4.47Å; R94-I121 PolarHBondContact N-O 2.87Å; R94-I121 PolarHBondContact O-N 3.25Å; R94-E123 HydrophobicContact CB-CG 4.22Å
95	V	98.1	Very high	97.8	Very high	1 Å²	1	52 Å²	52	1%	0.006	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	170.4	-178.2	-61.4	0	0	0	0	110.9	I61 R63 F97 G119 A120 E418	I61-V95 HydrophobicContact CB-CG2 4.42Å; I61-V95 HydrophobicContact CG2-CG2 3.78Å; I61-V95 PolarHBondContact O-N 2.97Å; I61-V95 VanDerWaalsContact O-O 3.11Å; R63-V95 HydrophobicContact CB-CG1 3.87Å; R63-V95 HydrophobicContact CB-CG2 3.87Å; V95-F97 PolarHBondContact O-N 3.48Å; V95-G119 WeakPolarHBondContact CA-O 3.4Å; V95-A120 HydrophobicContact CG1-CB 4.07Å; V95-E418 HydrophobicContact CG2-CG 4.43Å
96	R	95.7	Very high	97.7	Very high	71 Å²	71	53.8 Å²	53.8	27%	0.268	27%	0.268	S	S	.	.	S	Bend	trans	52.3	27.5	177.4	-59.6	-171.6	-177	-82.2	-4.8	114.7	I61 L98 E418	I61-R96 HydrophobicContact CB-CB 4.35Å; I61-R96 HydrophobicContact CD1-CB 3.93Å; I61-R96 HydrophobicContact CD1-CG 4.46Å; R96-L98 VanDerWaalsContact C-N 3.34Å; R96-E418 IonicContact CZ-OE1 3.1Å; R96-E418 IonicContact NE-OE1 2.62Å; R96-E418 PolarHBondContact NE-OE1 2.8Å; R96-E418 IonicContact NH2-OE1 2.88Å; R96-E418 PolarHBondContact NH2-OE1 3.07Å
97	F	95.7	Very high	97.5	Very high	57 Å²	57	52.6 Å²	52.6	25%	0.25	27%	0.274	C	S	.	.			trans	-83	-12.3	177.9	60.1	-94.4	0	0	0	113.3	K56 R94 V95 I121	K56-F97 WeakPolarHBondContact CE-O 3.41Å; R94-F97 HydrophobicContact CG-CD1 4.24Å; V95-F97 PolarHBondContact O-N 3.48Å; F97-I121 HydrophobicContact CD1-CD1 4.24Å; F97-I121 HydrophobicContact CD2-CD1 4.41Å; F97-I121 HydrophobicContact CE1-CD1 3.68Å; F97-I121 HydrophobicContact CE1-CG1 3.72Å; F97-I121 HydrophobicContact CE2-CD1 3.87Å; F97-I121 HydrophobicContact CZ-CD1 3.48Å; F97-I121 VanDerWaalsContact CZ-CD1 3.48Å; F97-I121 HydrophobicContact CZ-CG1 3.71Å
98	L	96.7	Very high	97.3	Very high	63 Å²	63	58.2 Å²	58.2	33%	0.33	30%	0.297	S	S	.	.	S	Bend	trans	-82.7	140.8	176.9	-62.4	174.5	0	0	0	110.4	R96 P117	R96-L98 VanDerWaalsContact C-N 3.34Å; L98-P117 HydrophobicContact CB-CB 4.26Å; L98-P117 HydrophobicContact CB-CG 3.64Å; L98-P117 HydrophobicContact CD1-CB 3.9Å; L98-P117 HydrophobicContact CD1-CG 4.22Å
99	A	97.4	Very high	97.1	Very high	37 Å²	37	58.8 Å²	58.8	31%	0.306	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-69.8	153.5	174.8	0	0	0	0	0	110.8	V55 K56 P117	V55-A99 HydrophobicContact CG1-CB 4.26Å; V55-A99 CarbonylContact O-C 3.52Å; V55-A99 WeakPolarHBondContact O-CA 3.45Å; K56-A99 HydrophobicContact CB-CB 3.99Å; K56-A99 HydrophobicContact CD-CB 4.33Å; K56-A99 HydrophobicContact CG-CB 4.27Å; A99-P117 WeakPolarHBondContact O-CD 3.46Å; A99-P117 WeakPolarHBondContact O-CG 3.45Å
100	K	97.8	Very high	97	Very high	21 Å²	21	59.8 Å²	59.8	9%	0.091	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-58.3	140.9	168.8	-71.3	177.8	171.4	63.7	0	110.2	W54 V55 I103 F114 L115 Q116	W54-K100 HydrophobicContact CD2-CD 3.81Å; W54-K100 HydrophobicContact CE3-CD 4.01Å; W54-K100 HydrophobicContact CG-CD 4.48Å; W54-K100 HydrophobicContact CH2-CD 3.92Å; W54-K100 HydrophobicContact CZ2-CD 3.73Å; W54-K100 HydrophobicContact CZ3-CD 4.06Å; W54-K100 VanDerWaalsContact O-CD 3.31Å; W54-K100 WeakPolarHBondContact O-CD 3.35Å; W54-K100 WeakPolarHBondContact O-CE 3.35Å; W54-K100 PolarHBondContact O-NZ 2.94Å; V55-K100 PolarHBondContact O-N 2.81Å; K100-I103 HydrophobicContact CB-CD1 3.96Å; K100-I103 HydrophobicContact CB-CG1 4.26Å; K100-F114 HydrophobicContact CB-CB 4.3Å; K100-F114 HydrophobicContact CB-CD2 4.05Å; K100-F114 HydrophobicContact CB-CG 4.46Å; K100-F114 HydrophobicContact CD-CB 4.41Å; K100-F114 HydrophobicContact CD-CD1 4.41Å; K100-F114 HydrophobicContact CD-CD2 3.41Å; K100-F114 VanDerWaalsContact CD-CD2 3.41Å; K100-F114 HydrophobicContact CD-CE2 3.64Å; K100-F114 HydrophobicContact CD-CG 3.83Å; K100-F114 HydrophobicContact CD-CZ 4.22Å; K100-F114 HydrophobicContact CG-CD2 3.6Å; K100-F114 HydrophobicContact CG-CE2 4.01Å; K100-F114 HydrophobicContact CG-CG 4.33Å; K100-L115 WeakPolarHBondContact CA-O 3.19Å; K100-Q116 VanDerWaalsContact NZ-OE1 3.16Å
101	E	97.1	Very high	97	Very high	94 Å²	94	58 Å²	58	44%	0.439	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	163.5	-176.4	-71	178.5	174.3	0	0	111.6	I103 F114 L115 P117	E101-I103 PolarHBondContact O-N 3.42Å; E101-F114 WeakPolarHBondContact O-CA 3.44Å; E101-L115 HydrophobicContact CB-CB 4.43Å; E101-L115 PolarHBondContact N-O 2.93Å; E101-L115 PolarHBondContact O-N 2.93Å; E101-P117 HydrophobicContact CG-CG 4.03Å
102	N	97.2	Very high	97	Very high	118 Å²	118	58 Å²	58	63%	0.631	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	52.6	39.2	176.4	-62.8	23.7	0	0	0	113.7	T104 L115	N102-T104 PolarHBondContact O-N 3.21Å; N102-T104 PolarHBondContact O-OG1 2.98Å; N102-L115 HydrophobicContact CB-CD1 4.36Å
103	I	97.9	Very high	97	Very high	55 Å²	55	59.2 Å²	59.2	28%	0.282	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	117.7	-175.7	-57.3	177.2	0	0	0	109.8	F51 W54 V55 K100 E101 V112 S113 F114	F51-I103 HydrophobicContact CE2-CG2 4.24Å; F51-I103 HydrophobicContact CZ-CG2 4.12Å; W54-I103 HydrophobicContact CH2-CG2 4.35Å; W54-I103 HydrophobicContact CZ3-CD1 3.97Å; W54-I103 HydrophobicContact CZ3-CG1 4.37Å; W54-I103 HydrophobicContact CZ3-CG2 3.99Å; V55-I103 HydrophobicContact CB-CD1 4.32Å; V55-I103 HydrophobicContact CG1-CD1 4Å; V55-I103 HydrophobicContact CG2-CD1 3.71Å; K100-I103 HydrophobicContact CB-CD1 3.96Å; K100-I103 HydrophobicContact CB-CG1 4.26Å; E101-I103 PolarHBondContact O-N 3.42Å; I103-V112 HydrophobicContact CG2-CG2 3.66Å; I103-S113 CarbonylContact C-O 3.59Å; I103-S113 VanDerWaalsContact CA-O 3.24Å; I103-S113 WeakPolarHBondContact CA-O 3.2Å; I103-F114 HydrophobicContact CG1-CB 4.2Å
104	T	97.5	Very high	96.9	Very high	88 Å²	88	59.3 Å²	59.3	54%	0.54	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	120	-177.3	-51.2	0	0	0	0	110.1	N102 V112 S113	N102-T104 PolarHBondContact O-N 3.21Å; N102-T104 PolarHBondContact O-OG1 2.98Å; T104-V112 CarbonylContact O-C 3.53Å; T104-V112 WeakPolarHBondContact O-CA 3.26Å; T104-S113 PolarHBondContact N-O 3.39Å; T104-S113 PolarHBondContact O-N 3.04Å
105	Q	97.2	Very high	96.9	Very high	69 Å²	69	57.3 Å²	57.3	32%	0.322	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	138.4	174.6	-68	-79.5	-1.3	0	0	110.3	L44 T111 V112 N216	L44-Q105 PolarHBondContact O-NE2 2.92Å; Q105-T111 PolarHBondContact OE1-O 2.8Å; Q105-V112 HydrophobicContact CG-CG2 4.44Å; Q105-N216 PolarHBondContact OE1-ND2 3.09Å
106	D	96.6	Very high	96.9	Very high	49 Å²	49	58.3 Å²	58.3	26%	0.262	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	104.4	170.1	-169.8	-25.2	0	0	0	109.6	K108 N110 T111	D106-K108 VanDerWaalsContact C-N 3.28Å; D106-K108 PolarHBondContact O-N 3.04Å; D106-K108 WeakPolarHBondContact OD1-CB 3.39Å; D106-K108 PolarHBondContact OD1-N 3.17Å; D106-N110 WeakPolarHBondContact O-CA 3.34Å; D106-N110 PolarHBondContact O-N 3.05Å; D106-T111 WeakPolarHBondContact CB-OG1 3.18Å; D106-T111 PolarHBondContact N-O 3.15Å; D106-T111 PolarHBondContact O-N 2.97Å; D106-T111 VanDerWaalsContact O-N 3.15Å
107	P	94.1	Very high	97	Very high	109 Å²	109	55.3 Å²	55.3	71%	0.708	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-21.4	179.6	-20.6	32.9	0	0	0	114.5
108	K	94.6	Very high	97.1	Very high	188 Å²	188	54 Å²	54	82%	0.817	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-45.3	-177.3	-65.7	-179	179.1	178.3	0	110.6	D106	D106-K108 VanDerWaalsContact C-N 3.28Å; D106-K108 PolarHBondContact O-N 3.04Å; D106-K108 WeakPolarHBondContact OD1-CB 3.39Å; D106-K108 PolarHBondContact OD1-N 3.17Å
109	D	93.7	Very high	97.1	Very high	80 Å²	80	51.3 Å²	51.3	43%	0.428	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-5.1	-176.4	-62.6	-16.2	0	0	0	112.8	T111 K213	D109-T111 HydrophobicContact CB-CG2 4.03Å; D109-K213 IonicContact OD2-NZ 2.78Å; D109-K213 PolarHBondContact OD2-NZ 2.68Å
110	N	97.2	Very high	97.2	Very high	39 Å²	39	50.1 Å²	50.1	21%	0.209	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	55	50.8	-172.2	-59.5	-77.3	0	0	0	112	D106 N216 K218 D219	D106-N110 WeakPolarHBondContact O-CA 3.34Å; D106-N110 PolarHBondContact O-N 3.05Å; N110-N216 VanDerWaalsContact C-CG 3.47Å; N110-N216 VanDerWaalsContact O-CG 3.22Å; N110-N216 PolarHBondContact O-N 2.87Å; N110-N216 PolarHBondContact O-OD1 3.05Å; N110-N216 VanDerWaalsContact O-OD1 3.05Å; N110-K218 HydrophobicContact CB-CB 4.5Å; N110-D219 HydrophobicContact CB-CB 4.23Å
111	T	98	Very high	97.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	160.9	-179.1	58.6	0	0	0	0	111.7	Q105 D106 D109 K213 V214 F215 D228	Q105-T111 PolarHBondContact OE1-O 2.8Å; D106-T111 WeakPolarHBondContact CB-OG1 3.18Å; D106-T111 PolarHBondContact N-O 3.15Å; D106-T111 PolarHBondContact O-N 2.97Å; D106-T111 VanDerWaalsContact O-N 3.15Å; D109-T111 HydrophobicContact CB-CG2 4.03Å; T111-K213 HydrophobicContact CG2-CG 4.24Å; T111-K213 WeakPolarHBondContact OG1-CE 3.3Å; T111-V214 CarbonylContact C-O 3.57Å; T111-V214 WeakPolarHBondContact CA-O 3.45Å; T111-V214 VanDerWaalsContact CB-O 3.24Å; T111-V214 WeakPolarHBondContact CB-O 3.47Å; T111-F215 HydrophobicContact CG2-CD1 3.74Å; T111-F215 HydrophobicContact CG2-CE1 4.04Å; T111-F215 HydrophobicContact CG2-CG 4.41Å; T111-D228 HydrophobicContact CG2-CB 4.46Å
112	V	98.2	Very high	97.3	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	130.7	171.2	61.2	0	0	0	0	108.9	L44 W54 I103 T104 Q105 V214 N216	L44-V112 HydrophobicContact CB-CG1 4.17Å; L44-V112 HydrophobicContact CD1-CG1 4.11Å; W54-V112 HydrophobicContact CH2-CB 4.46Å; W54-V112 HydrophobicContact CH2-CG1 3.86Å; W54-V112 HydrophobicContact CH2-CG2 3.75Å; W54-V112 HydrophobicContact CZ2-CG1 3.99Å; W54-V112 HydrophobicContact CZ3-CG2 4.14Å; I103-V112 HydrophobicContact CG2-CG2 3.66Å; T104-V112 CarbonylContact O-C 3.53Å; T104-V112 WeakPolarHBondContact O-CA 3.26Å; Q105-V112 HydrophobicContact CG-CG2 4.44Å; V112-V214 HydrophobicContact CG1-CG2 3.49Å; V112-V214 VanDerWaalsContact CG1-CG2 3.49Å; V112-V214 PolarHBondContact N-O 2.88Å; V112-V214 PolarHBondContact O-N 2.88Å; V112-N216 HydrophobicContact CG1-CB 4.38Å
113	S	98.4	Very high	97.4	Very high	26 Å²	26	46.8 Å²	46.8	18%	0.182	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	146.1	178.6	-59.5	0	0	0	0	111.2	I103 T104 Y212	I103-S113 CarbonylContact C-O 3.59Å; I103-S113 VanDerWaalsContact CA-O 3.24Å; I103-S113 WeakPolarHBondContact CA-O 3.2Å; T104-S113 PolarHBondContact N-O 3.39Å; T104-S113 PolarHBondContact O-N 3.04Å; S113-Y212 CarbonylContact C-O 3.44Å; S113-Y212 WeakPolarHBondContact CA-O 3.16Å
114	F	98.5	Very high	97.4	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.018	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	165.9	178	70.8	-80.4	0	0	0	113.4	W54 K100 E101 I103 Q116 Y212 V214	W54-F114 HydrophobicContact CH2-CB 3.97Å; W54-F114 AromaticContact CH2-CD1 3.63Å; W54-F114 HydrophobicContact CH2-CD1 3.63Å; W54-F114 HydrophobicContact CH2-CE1 4.31Å; W54-F114 AromaticContact CH2-CG 3.91Å; W54-F114 HydrophobicContact CH2-CG 3.91Å; W54-F114 HydrophobicContact CZ2-CB 4.42Å; W54-F114 AromaticContact CZ2-CD1 3.26Å; W54-F114 HydrophobicContact CZ2-CD1 3.26Å; W54-F114 AromaticContact CZ2-CE1 3.48Å; W54-F114 HydrophobicContact CZ2-CE1 3.48Å; W54-F114 VanDerWaalsContact CZ2-CE1 3.48Å; W54-F114 AromaticContact CZ2-CG 3.85Å; W54-F114 HydrophobicContact CZ2-CG 3.85Å; W54-F114 HydrophobicContact CZ2-CZ 4.25Å; K100-F114 HydrophobicContact CB-CB 4.3Å; K100-F114 HydrophobicContact CB-CD2 4.05Å; K100-F114 HydrophobicContact CB-CG 4.46Å; K100-F114 HydrophobicContact CD-CB 4.41Å; K100-F114 HydrophobicContact CD-CD1 4.41Å; K100-F114 HydrophobicContact CD-CD2 3.41Å; K100-F114 VanDerWaalsContact CD-CD2 3.41Å; K100-F114 HydrophobicContact CD-CE2 3.64Å; K100-F114 HydrophobicContact CD-CG 3.83Å; K100-F114 HydrophobicContact CD-CZ 4.22Å; K100-F114 HydrophobicContact CG-CD2 3.6Å; K100-F114 HydrophobicContact CG-CE2 4.01Å; K100-F114 HydrophobicContact CG-CG 4.33Å; E101-F114 WeakPolarHBondContact O-CA 3.44Å; I103-F114 HydrophobicContact CG1-CB 4.2Å; F114-Q116 HydrophobicContact CE2-CB 4.15Å; F114-Y212 HydrophobicContact CE1-CG 4.09Å; F114-Y212 HydrophobicContact CE2-CD2 4.05Å; F114-Y212 HydrophobicContact CE2-CG 4.22Å; F114-Y212 HydrophobicContact CZ-CD1 4.41Å; F114-Y212 HydrophobicContact CZ-CD2 4.06Å; F114-Y212 AromaticContact CZ-CG 3.77Å; F114-Y212 HydrophobicContact CZ-CG 3.77Å; F114-Y212 PolarHBondContact N-O 2.83Å; F114-Y212 PolarHBondContact O-N 3.23Å; F114-V214 HydrophobicContact CE1-CG1 3.97Å; F114-V214 HydrophobicContact CE1-CG2 4.3Å
115	L	98.3	Very high	97.4	Very high	35 Å²	35	49 Å²	49	18%	0.183	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	140.1	164.7	-74.6	168.5	0	0	0	109.8	K100 E101 N102 P117 A208 V211	K100-L115 WeakPolarHBondContact CA-O 3.19Å; E101-L115 HydrophobicContact CB-CB 4.43Å; E101-L115 PolarHBondContact N-O 2.93Å; E101-L115 PolarHBondContact O-N 2.93Å; N102-L115 HydrophobicContact CB-CD1 4.36Å; L115-P117 VanDerWaalsContact O-CD 3.26Å; L115-P117 WeakPolarHBondContact O-CD 3.23Å; L115-A208 HydrophobicContact CB-CB 4.02Å; L115-A208 HydrophobicContact CD2-CB 4.31Å; L115-V211 HydrophobicContact CD2-CB 4.48Å; L115-V211 HydrophobicContact CD2-CG2 3.88Å; L115-V211 HydrophobicContact CG-CG2 4.18Å
116	Q	97.8	Very high	97.5	Very high	21 Å²	21	49.7 Å²	49.7	10%	0.098	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	99.8	174.4	-171.4	62.7	74.3	0	0	109.2	K100 F114 A208 D209	K100-Q116 VanDerWaalsContact NZ-OE1 3.16Å; F114-Q116 HydrophobicContact CE2-CB 4.15Å; Q116-A208 CarbonylContact O-C 3.59Å; Q116-A208 WeakPolarHBondContact O-CA 3.22Å; Q116-D209 PolarHBondContact N-O 3.37Å; Q116-D209 PolarHBondContact O-N 2.94Å
117	P	97.9	Very high	97.6	Very high	8 Å²	8	48.4 Å²	48.4	5%	0.052	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	144	179.8	27.6	-35.7	0	0	0	111.9	L98 A99 E101 L115 A208	L98-P117 HydrophobicContact CB-CB 4.26Å; L98-P117 HydrophobicContact CB-CG 3.64Å; L98-P117 HydrophobicContact CD1-CB 3.9Å; L98-P117 HydrophobicContact CD1-CG 4.22Å; A99-P117 WeakPolarHBondContact O-CD 3.46Å; A99-P117 WeakPolarHBondContact O-CG 3.45Å; E101-P117 HydrophobicContact CG-CG 4.03Å; L115-P117 VanDerWaalsContact O-CD 3.26Å; L115-P117 WeakPolarHBondContact O-CD 3.23Å; P117-A208 HydrophobicContact CB-CB 4.46Å
118	N	97.3	Very high	97.8	Very high	30 Å²	30	47.9 Å²	47.9	16%	0.16	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	128.9	-178.1	-66.4	-45.3	0	0	0	110.8	Y204 T207	N118-Y204 HydrophobicContact CB-CD1 4.28Å; N118-Y204 HydrophobicContact CB-CD2 4.18Å; N118-Y204 HydrophobicContact CB-CE1 4.12Å; N118-Y204 HydrophobicContact CB-CE2 4.02Å; N118-Y204 HydrophobicContact CB-CG 4.3Å; N118-Y204 VanDerWaalsContact CB-O 3.32Å; N118-Y204 WeakPolarHBondContact CB-O 3.26Å; N118-T207 PolarHBondContact N-O 2.8Å; N118-T207 PolarHBondContact ND2-OG1 3.26Å
119	G	97.3	Very high	97.9	Very high	7 Å²	7	39.9 Å²	39.9	7%	0.072	24%	0.236	C	C	.	.			trans	-150.8	141.1	175	0	0	0	0	0	110.7	V95 N205	V95-G119 WeakPolarHBondContact CA-O 3.4Å; G119-N205 WeakPolarHBondContact CA-OD1 3.35Å
120	A	98.2	Very high	98.2	Very high	12 Å²	12	39.6 Å²	39.6	10%	0.099	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	127	173.8	0	0	0	0	0	110.1	Y93 R94 V95 W180 Y204 N205	Y93-A120 HydrophobicContact CD1-CB 3.95Å; Y93-A120 HydrophobicContact CG-CB 4.39Å; R94-A120 WeakPolarHBondContact O-CA 3.37Å; V95-A120 HydrophobicContact CG1-CB 4.07Å; A120-W180 HydrophobicContact CB-CH2 3.58Å; A120-W180 HydrophobicContact CB-CZ2 3.87Å; A120-W180 HydrophobicContact CB-CZ3 4.3Å; A120-Y204 HydrophobicContact CB-CD1 4Å; A120-Y204 HydrophobicContact CB-CE1 3.8Å; A120-N205 PolarHBondContact N-OD1 3.02Å
121	I	98.4	Very high	98.2	Very high	83 Å²	83	39.6 Å²	39.6	43%	0.426	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	122.9	174.9	-61.7	168.7	0	0	0	107.5	Y93 R94 F97	Y93-I121 CarbonylContact C-O 3.6Å; Y93-I121 WeakPolarHBondContact CA-O 3.23Å; R94-I121 HydrophobicContact CB-CB 4.47Å; R94-I121 PolarHBondContact N-O 2.87Å; R94-I121 PolarHBondContact O-N 3.25Å; F97-I121 HydrophobicContact CD1-CD1 4.24Å; F97-I121 HydrophobicContact CD2-CD1 4.41Å; F97-I121 HydrophobicContact CE1-CD1 3.68Å; F97-I121 HydrophobicContact CE1-CG1 3.72Å; F97-I121 HydrophobicContact CE2-CD1 3.87Å; F97-I121 HydrophobicContact CZ-CD1 3.48Å; F97-I121 VanDerWaalsContact CZ-CD1 3.48Å; F97-I121 HydrophobicContact CZ-CG1 3.71Å
122	F	98.8	Very high	98.3	Very high	36 Å²	36	42.7 Å²	42.7	16%	0.158	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	138.4	179.6	-174.9	-119.9	0	0	0	110.9	Y91 T92 Y93 P124 S127 G129 E131	Y91-F122 HydrophobicContact CD1-CE2 4.42Å; Y91-F122 HydrophobicContact CD1-CZ 4.5Å; T92-F122 WeakPolarHBondContact O-CD2 3.05Å; Y93-F122 VanDerWaalsContact CD1-CA 3.48Å; Y93-F122 HydrophobicContact CD1-CB 3.88Å; Y93-F122 HydrophobicContact CD1-CD2 4.2Å; Y93-F122 HydrophobicContact CD2-CD2 4.12Å; Y93-F122 HydrophobicContact CE1-CB 3.54Å; Y93-F122 AromaticContact CE1-CD2 3.76Å; Y93-F122 HydrophobicContact CE1-CD2 3.76Å; Y93-F122 HydrophobicContact CE1-CG 4.08Å; Y93-F122 AromaticContact CE2-CD2 3.69Å; Y93-F122 HydrophobicContact CE2-CD2 3.69Å; Y93-F122 HydrophobicContact CE2-CE2 4.24Å; Y93-F122 HydrophobicContact CG-CD2 4.36Å; Y93-F122 AromaticContact CZ-CD2 3.48Å; Y93-F122 VanDerWaalsContact CZ-CD2 3.48Å; F122-P124 HydrophobicContact CD1-CB 4.5Å; F122-P124 HydrophobicContact CD1-CG 3.78Å; F122-P124 HydrophobicContact CE1-CB 4.07Å; F122-P124 HydrophobicContact CE1-CG 3.83Å; F122-P124 WeakPolarHBondContact O-CD 3.04Å; F122-S127 VanDerWaalsContact CE2-OG 3.26Å; F122-S127 WeakPolarHBondContact CE2-OG 3.2Å; F122-S127 WeakPolarHBondContact CZ-OG 3.41Å; F122-G129 WeakPolarHBondContact CZ-O 3.47Å; F122-E131 HydrophobicContact CB-CG 4.2Å; F122-E131 HydrophobicContact CD1-CG 3.66Å; F122-E131 HydrophobicContact CD2-CG 3.93Å; F122-E131 HydrophobicContact CE1-CG 3.95Å; F122-E131 HydrophobicContact CE2-CG 4.21Å; F122-E131 HydrophobicContact CG-CG 3.65Å; F122-E131 HydrophobicContact CZ-CG 4.21Å
123	E	98.6	Very high	98.3	Very high	43 Å²	43	44.4 Å²	44.4	20%	0.201	27%	0.271	C	S	.	.			trans	-115.8	90	179.8	-64.3	-70.6	-179.5	0	0	109.4	Y62 T92 R94 S125 L126 S127	Y62-E123 HydrophobicContact CD1-CG 4.41Å; Y62-E123 HydrophobicContact CE1-CG 4.1Å; T92-E123 HydrophobicContact CG2-CB 4.27Å; T92-E123 PolarHBondContact O-N 3.06Å; R94-E123 HydrophobicContact CB-CG 4.22Å; E123-S125 VanDerWaalsContact C-N 3.26Å; E123-S125 PolarHBondContact O-N 3Å; E123-L126 HydrophobicContact CB-CB 4.21Å; E123-L126 HydrophobicContact CB-CD1 4.27Å; E123-L126 HydrophobicContact CB-CG 4.37Å; E123-L126 PolarHBondContact O-N 2.94Å; E123-L126 VanDerWaalsContact O-N 3.16Å; E123-S127 PolarHBondContact O-N 3.02Å; E123-S127 PolarHBondContact O-OG 3.22Å
124	P	98.1	Very high	98.3	Very high	86 Å²	86	47.5 Å²	47.5	56%	0.558	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-60	-35.6	-176.8	-22	31.1	0	0	0	113.1	F122 L126 S127	F122-P124 HydrophobicContact CD1-CB 4.5Å; F122-P124 HydrophobicContact CD1-CG 3.78Å; F122-P124 HydrophobicContact CE1-CB 4.07Å; F122-P124 HydrophobicContact CE1-CG 3.83Å; F122-P124 WeakPolarHBondContact O-CD 3.04Å; P124-L126 PolarHBondContact O-N 2.8Å; P124-S127 PolarHBondContact O-N 3.13Å
125	S	98.3	Very high	98.3	Very high	103 Å²	103	47.4 Å²	47.4	72%	0.72	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-66.5	-20.8	-179.5	53.7	0	0	0	0	113.8	E123	E123-S125 VanDerWaalsContact C-N 3.26Å; E123-S125 PolarHBondContact O-N 3Å
126	L	98.4	Very high	98.3	Very high	84 Å²	84	47.3 Å²	47.3	44%	0.44	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-107.7	11.9	178.7	-57.5	-179.9	0	0	0	112.1	Y62 T92 E123 P124	Y62-L126 HydrophobicContact CD1-CD1 4.21Å; Y62-L126 HydrophobicContact CE1-CD1 3.84Å; T92-L126 WeakPolarHBondContact CB-O 3.24Å; T92-L126 HydrophobicContact CG2-CB 3.81Å; T92-L126 HydrophobicContact CG2-CD1 4.1Å; T92-L126 PolarHBondContact OG1-O 2.75Å; E123-L126 HydrophobicContact CB-CB 4.21Å; E123-L126 HydrophobicContact CB-CD1 4.27Å; E123-L126 HydrophobicContact CB-CG 4.37Å; E123-L126 PolarHBondContact O-N 2.94Å; E123-L126 VanDerWaalsContact O-N 3.16Å; P124-L126 PolarHBondContact O-N 2.8Å
127	S	98.8	Very high	98.4	Very high	23 Å²	23	46.4 Å²	46.4	16%	0.161	28%	0.282	C	S	.	.	S	Bend	trans	-118.7	147.5	-173.8	-61.2	0	0	0	0	111.6	P90 T92 F122 E123 P124 G129	P90-S127 CarbonylContact O-C 3.55Å; P90-S127 WeakPolarHBondContact O-CA 3.45Å; T92-S127 PolarHBondContact N-OG 3.28Å; F122-S127 VanDerWaalsContact CE2-OG 3.26Å; F122-S127 WeakPolarHBondContact CE2-OG 3.2Å; F122-S127 WeakPolarHBondContact CZ-OG 3.41Å; E123-S127 PolarHBondContact O-N 3.02Å; E123-S127 PolarHBondContact O-OG 3.22Å; P124-S127 PolarHBondContact O-N 3.13Å; S127-G129 VanDerWaalsContact C-N 3.26Å; S127-G129 PolarHBondContact O-N 2.91Å
128	V	98.6	Very high	98.4	Very high	97 Å²	97	46.1 Å²	46.1	59%	0.588	28%	0.28	S	S	*	.	S	Bend	trans	-71.4	-22.1	177.5	70.9	0	0	0	0	113.2	P90 Y91	P90-V128 PolarHBondContact O-N 3.47Å; Y91-V128 HydrophobicContact CD2-CG1 4.49Å; Y91-V128 HydrophobicContact CE1-CG1 4.18Å; Y91-V128 HydrophobicContact CE2-CG1 3.98Å
129	G	98.1	Very high	98.5	Very high	20 Å²	20	44.9 Å²	44.9	21%	0.206	27%	0.273	C	S	.	.	S	Bend	trans	-160.3	-158.8	-175.4	0	0	0	0	0	111.8	F122 S127	F122-G129 WeakPolarHBondContact CZ-O 3.47Å; S127-G129 VanDerWaalsContact C-N 3.26Å; S127-G129 PolarHBondContact O-N 2.91Å
130	T	98.6	Very high	98.6	Very high	74 Å²	74	45.2 Å²	45.2	45%	0.454	27%	0.273	S	S	.	.			trans	-105.4	166.6	-174	71.2	0	0	0	0	112.6	Y91 A132 D133	Y91-T130 WeakPolarHBondContact CE1-O 3.44Å; T130-A132 PolarHBondContact O-N 3.35Å; T130-A132 VanDerWaalsContact O-N 3.14Å; T130-A132 PolarHBondContact OG1-N 3.19Å; T130-D133 PolarHBondContact N-OD1 3.47Å; T130-D133 WeakPolarHBondContact O-CB 3.26Å; T130-D133 PolarHBondContact O-N 3.22Å; T130-D133 PolarHBondContact OG1-OD1 3.45Å
131	E	98.5	Very high	98.6	Very high	40 Å²	40	44.8 Å²	44.8	19%	0.187	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-12.5	170.6	-58.3	-163.5	106.8	0	0	113.6	Y93 F122 L175 R176	Y93-E131 VanDerWaalsContact CE1-OE1 3.32Å; Y93-E131 WeakPolarHBondContact CE1-OE1 3.36Å; Y93-E131 WeakPolarHBondContact OH-CG 3.17Å; Y93-E131 PolarHBondContact OH-OE1 3.3Å; F122-E131 HydrophobicContact CB-CG 4.2Å; F122-E131 HydrophobicContact CD1-CG 3.66Å; F122-E131 HydrophobicContact CD2-CG 3.93Å; F122-E131 HydrophobicContact CE1-CG 3.95Å; F122-E131 HydrophobicContact CE2-CG 4.21Å; F122-E131 HydrophobicContact CG-CG 3.65Å; F122-E131 HydrophobicContact CZ-CG 4.21Å; E131-L175 WeakPolarHBondContact O-CB 3.36Å; E131-L175 PolarHBondContact O-N 2.87Å; E131-R176 HydrophobicContact CB-CB 4.09Å; E131-R176 PolarHBondContact O-N 2.79Å; E131-R176 IonicContact OE2-NH1 3.26Å; E131-R176 PolarHBondContact OE2-NH1 3.49Å; E131-R176 VanDerWaalsContact OE2-NH1 3.1Å
132	A	98.6	Very high	98.5	Very high	64 Å²	64	40.9 Å²	40.9	53%	0.529	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-2.9	178.7	0	0	0	0	0	113.3	T130 N134	T130-A132 PolarHBondContact O-N 3.35Å; T130-A132 VanDerWaalsContact O-N 3.14Å; T130-A132 PolarHBondContact OG1-N 3.19Å; A132-N134 PolarHBondContact O-N 2.86Å
133	D	98.8	Very high	98.5	Very high	37 Å²	37	39.3 Å²	39.3	20%	0.198	24%	0.244	C	C	.	.			trans	-60.5	132.6	177.5	-73.2	23.1	0	0	0	110.5	R88 Y91 T130 F135 T174 L175	R88-D133 IonicContact NH2-OD2 3.46Å; Y91-D133 HydrophobicContact CE1-CB 4.14Å; Y91-D133 WeakPolarHBondContact CE1-OD2 3.49Å; Y91-D133 WeakPolarHBondContact OH-CB 3.38Å; Y91-D133 PolarHBondContact OH-OD2 2.88Å; T130-D133 PolarHBondContact N-OD1 3.47Å; T130-D133 WeakPolarHBondContact O-CB 3.26Å; T130-D133 PolarHBondContact O-N 3.22Å; T130-D133 PolarHBondContact OG1-OD1 3.45Å; D133-F135 HydrophobicContact CB-CE2 4.11Å; D133-F135 HydrophobicContact CB-CZ 4.02Å; D133-F135 WeakPolarHBondContact O-CD2 3.14Å; D133-F135 WeakPolarHBondContact O-CE2 3.35Å; D133-T174 CarbonylContact O-C 3.48Å; D133-T174 VanDerWaalsContact O-CA 3.25Å; D133-T174 WeakPolarHBondContact O-CA 3.44Å; D133-L175 PolarHBondContact O-N 3.02Å
134	N	98.7	Very high	98.5	Very high	91 Å²	91	37.8 Å²	37.8	49%	0.487	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	143.2	-177.1	-73.7	-50	0	0	0	112.2	R88 A132 V172 R173 T174	R88-N134 PolarHBondContact NH1-O 3.2Å; A132-N134 PolarHBondContact O-N 2.86Å; N134-V172 HydrophobicContact CB-CG1 3.8Å; N134-R173 WeakPolarHBondContact CA-O 3.49Å; N134-T174 WeakPolarHBondContact OD1-CG2 3.33Å
135	F	98.8	Very high	98.4	Very high	1 Å²	1	34 Å²	34	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	142.4	175.6	-51.7	-86.6	0	0	0	110.7	I67 D69 R88 Y91 D133 V137 V172 R173 L175	I67-F135 HydrophobicContact CB-CD1 3.81Å; I67-F135 HydrophobicContact CB-CE1 3.88Å; I67-F135 HydrophobicContact CB-CG 4.14Å; I67-F135 HydrophobicContact CB-CZ 4.27Å; I67-F135 HydrophobicContact CG1-CD1 4.36Å; I67-F135 HydrophobicContact CG1-CD2 4.36Å; I67-F135 HydrophobicContact CG1-CE1 4.1Å; I67-F135 HydrophobicContact CG1-CE2 4.11Å; I67-F135 HydrophobicContact CG1-CG 4.48Å; I67-F135 HydrophobicContact CG1-CZ 3.97Å; I67-F135 HydrophobicContact CG2-CB 4.01Å; I67-F135 HydrophobicContact CG2-CD1 3.81Å; I67-F135 HydrophobicContact CG2-CD2 4.24Å; I67-F135 HydrophobicContact CG2-CE1 4.37Å; I67-F135 HydrophobicContact CG2-CG 3.73Å; D69-F135 HydrophobicContact CB-CD1 4.21Å; R88-F135 HydrophobicContact CB-CD1 4.5Å; R88-F135 HydrophobicContact CB-CE1 3.79Å; R88-F135 VanDerWaalsContact CZ-CE1 3.41Å; Y91-F135 HydrophobicContact CD2-CZ 4.48Å; Y91-F135 HydrophobicContact CE2-CE1 4.13Å; Y91-F135 AromaticContact CE2-CZ 3.53Å; Y91-F135 HydrophobicContact CE2-CZ 3.53Å; Y91-F135 AromaticContact CZ-CZ 3.6Å; Y91-F135 WeakPolarHBondContact OH-CZ 3.32Å; D133-F135 HydrophobicContact CB-CE2 4.11Å; D133-F135 HydrophobicContact CB-CZ 4.02Å; D133-F135 WeakPolarHBondContact O-CD2 3.14Å; D133-F135 WeakPolarHBondContact O-CE2 3.35Å; F135-V137 HydrophobicContact CB-CG1 3.91Å; F135-V172 VanDerWaalsContact O-CA 3.27Å; F135-V172 WeakPolarHBondContact O-CA 3.29Å; F135-R173 PolarHBondContact N-O 2.96Å; F135-R173 PolarHBondContact O-N 3.31Å; F135-L175 HydrophobicContact CE2-CB 3.9Å; F135-L175 HydrophobicContact CE2-CD1 3.91Å; F135-L175 HydrophobicContact CZ-CD1 4.26Å
136	T	98.9	Very high	98.3	Very high	34 Å²	34	29.8 Å²	29.8	21%	0.209	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	115.7	165.7	-55.3	0	0	0	0	108.4	D69 V70 P73 F170 Q171	D69-T136 PolarHBondContact OD1-N 2.02Å; V70-T136 HydrophobicContact CB-CG2 4.11Å; V70-T136 WeakPolarHBondContact CB-O 3.3Å; V70-T136 WeakPolarHBondContact CG2-O 3.33Å; V70-T136 PolarHBondContact N-O 3.02Å; V70-T136 WeakPolarHBondContact O-CB 3.37Å; P73-T136 HydrophobicContact CB-CG2 3.98Å; P73-T136 HydrophobicContact CG-CG2 3.97Å; T136-F170 HydrophobicContact CG2-CB 4.25Å; T136-Q171 WeakPolarHBondContact CA-O 3.25Å
137	V	98.8	Very high	98.2	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.012	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	163.9	-176.5	-65	0	0	0	0	111	I67 F135 N139 F170 Q171 L178	I67-V137 HydrophobicContact CG2-CG1 4Å; F135-V137 HydrophobicContact CB-CG1 3.91Å; V137-N139 PolarHBondContact O-N 3.44Å; V137-F170 CarbonylContact O-C 3.45Å; V137-F170 WeakPolarHBondContact O-CA 3.36Å; V137-Q171 HydrophobicContact CG2-CG 4.2Å; V137-Q171 PolarHBondContact N-O 3.4Å; V137-Q171 PolarHBondContact O-N 3.3Å; V137-L178 HydrophobicContact CG1-CD2 4.01Å; V137-L178 HydrophobicContact CG2-CD1 4.18Å; V137-L178 HydrophobicContact CG2-CD2 4.49Å
138	L	98.8	Very high	98.1	Very high	2 Å²	2	30 Å²	30	1%	0.01	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	138.7	173	-173.4	71.4	0	0	0	110.2	L140 A143 M169 F170 Q171 L391 V393 V411 I413	L138-L140 PolarHBondContact O-N 3.27Å; L138-A143 HydrophobicContact CD2-CB 3.79Å; L138-A143 HydrophobicContact CG-CB 4.22Å; L138-M169 HydrophobicContact CD1-CE 4.1Å; L138-M169 HydrophobicContact CD1-CG 4.07Å; L138-M169 WeakPolarHBondContact CD1-O 3.2Å; L138-F170 HydrophobicContact CD1-CE1 4.39Å; L138-Q171 PolarHBondContact O-NE2 3.19Å; L138-L391 HydrophobicContact CD2-CB 3.95Å; L138-L391 HydrophobicContact CD2-CD2 4.02Å; L138-L391 HydrophobicContact CD2-CG 4.46Å; L138-V393 HydrophobicContact CD1-CB 4.43Å; L138-V393 HydrophobicContact CD1-CG1 4.26Å; L138-V393 HydrophobicContact CD2-CB 4.36Å; L138-V411 HydrophobicContact CB-CG1 4.27Å; L138-V411 HydrophobicContact CD1-CG2 4.46Å; L138-V411 HydrophobicContact CD2-CB 4.1Å; L138-V411 HydrophobicContact CD2-CG2 4.05Å; L138-I413 HydrophobicContact CB-CD1 3.81Å; L138-I413 HydrophobicContact CD2-CD1 4.39Å
139	N	98.8	Very high	97.9	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.016	17%	0.168	C	C	.	.			trans	-70.3	102.2	170.8	-171.6	-44.8	0	0	0	109.9	V137 A141 V142 A143 S168 M169 Q171	V137-N139 PolarHBondContact O-N 3.44Å; N139-A141 VanDerWaalsContact C-N 3.3Å; N139-A141 PolarHBondContact O-N 2.84Å; N139-A141 PolarHBondContact OD1-N 3.35Å; N139-A141 VanDerWaalsContact OD1-N 3.17Å; N139-V142 HydrophobicContact CB-CB 4.01Å; N139-V142 HydrophobicContact CB-CG2 4.08Å; N139-V142 VanDerWaalsContact CG-CG2 3.48Å; N139-V142 PolarHBondContact O-N 2.75Å; N139-V142 WeakPolarHBondContact OD1-CG2 3.22Å; N139-V142 PolarHBondContact OD1-N 3.33Å; N139-A143 WeakPolarHBondContact O-CB 3.46Å; N139-A143 PolarHBondContact O-N 3.02Å; N139-S168 WeakPolarHBondContact CB-O 3.41Å; N139-S168 PolarHBondContact ND2-O 3.12Å; N139-M169 VanDerWaalsContact CB-O 3.32Å; N139-M169 WeakPolarHBondContact CB-O 3.48Å; N139-M169 PolarHBondContact N-O 3.25Å; N139-Q171 HydrophobicContact CB-CG 4.29Å
140	L	98.4	Very high	97.6	Very high	15 Å²	15	32.7 Å²	32.7	8%	0.079	19%	0.189	C	C	.	.	H	α-helix	trans	-57.5	-43.3	-174.6	-53.9	-177.2	0	0	0	111.7	L138 A144 L178 M200 L391 I413	L138-L140 PolarHBondContact O-N 3.27Å; L140-A144 WeakPolarHBondContact O-CB 3.27Å; L140-A144 PolarHBondContact O-N 3.4Å; L140-L178 HydrophobicContact CD1-CD1 4.1Å; L140-M200 HydrophobicContact CD1-CG 4.42Å; L140-M200 HydrophobicContact CD1-SD 3.9Å; L140-M200 HydrophobicContact CD2-SD 4.03Å; L140-L391 HydrophobicContact CB-CD2 4.41Å; L140-L391 HydrophobicContact CD2-CD2 3.96Å; L140-I413 HydrophobicContact CD2-CD1 4.38Å
141	A	98.1	Very high	97.4	Very high	3 Å²	3	32.9 Å²	32.9	3%	0.025	19%	0.187	C	C	.	.	H	α-helix	trans	-70	-44.2	-177.5	0	0	0	0	0	112.1	N139 A144 A145 D184 F186 L187	N139-A141 VanDerWaalsContact C-N 3.3Å; N139-A141 PolarHBondContact O-N 2.84Å; N139-A141 PolarHBondContact OD1-N 3.35Å; N139-A141 VanDerWaalsContact OD1-N 3.17Å; A141-A144 PolarHBondContact O-N 3.28Å; A141-A145 WeakPolarHBondContact O-CB 3.39Å; A141-A145 PolarHBondContact O-N 3.26Å; A141-D184 HydrophobicContact CB-CB 4.08Å; A141-D184 VanDerWaalsContact CB-CG 3.4Å; A141-F186 HydrophobicContact CB-CD1 3.92Å; A141-F186 HydrophobicContact CB-CE1 4.24Å; A141-L187 HydrophobicContact CB-CD1 3.68Å; A141-L187 HydrophobicContact CB-CD2 4.37Å; A141-L187 HydrophobicContact CB-CG 3.8Å
142	V	98.1	Very high	97.3	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.006	20%	0.201	C	C	.	.	H	α-helix	trans	-62.2	-46.6	178	171.1	0	0	0	0	110.9	N139 S146 I162 F186 V401 L402	N139-V142 HydrophobicContact CB-CB 4.01Å; N139-V142 HydrophobicContact CB-CG2 4.08Å; N139-V142 VanDerWaalsContact CG-CG2 3.48Å; N139-V142 PolarHBondContact O-N 2.75Å; N139-V142 WeakPolarHBondContact OD1-CG2 3.22Å; N139-V142 PolarHBondContact OD1-N 3.33Å; V142-S146 VanDerWaalsContact O-CB 3.28Å; V142-S146 WeakPolarHBondContact O-CB 3.26Å; V142-S146 PolarHBondContact O-N 3.13Å; V142-S146 VanDerWaalsContact O-N 3.13Å; V142-I162 HydrophobicContact CG1-CD1 4.2Å; V142-I162 HydrophobicContact CG2-CD1 4.22Å; V142-I162 HydrophobicContact CG2-CG1 4.19Å; V142-I162 HydrophobicContact CG2-CG2 4.44Å; V142-F186 HydrophobicContact CG2-CD1 4.34Å; V142-V401 HydrophobicContact CG1-CG2 3.93Å; V142-L402 HydrophobicContact CG1-CD1 4.26Å; V142-L402 HydrophobicContact CG1-CD2 4.42Å; V142-L402 HydrophobicContact CG1-CG 4.36Å
143	A	98.1	Very high	97	Very high	3 Å²	3	39.6 Å²	39.6	3%	0.025	21%	0.211	C	C	.	.	H	α-helix	trans	-63.9	-47.3	178.4	0	0	0	0	0	111.8	L138 N139 H147 L391 V393	L138-A143 HydrophobicContact CD2-CB 3.79Å; L138-A143 HydrophobicContact CG-CB 4.22Å; N139-A143 WeakPolarHBondContact O-CB 3.46Å; N139-A143 PolarHBondContact O-N 3.02Å; A143-H147 PolarHBondContact O-N 2.84Å; A143-L391 HydrophobicContact CB-CD2 3.83Å; A143-V393 HydrophobicContact CB-CB 4.32Å; A143-V393 HydrophobicContact CB-CG2 4.36Å
144	A	97.8	Very high	96.8	Very high	10 Å²	10	40 Å²	40	8%	0.083	22%	0.215	C	C	.	.	H	α-helix	trans	-66.3	-47.1	-179.4	0	0	0	0	0	112.8	L140 A141 S146 H147 I148 K337	L140-A144 WeakPolarHBondContact O-CB 3.27Å; L140-A144 PolarHBondContact O-N 3.4Å; A141-A144 PolarHBondContact O-N 3.28Å; A144-S146 PolarHBondContact O-N 3.34Å; A144-H147 PolarHBondContact O-N 2.92Å; A144-H147 VanDerWaalsContact O-N 3.14Å; A144-I148 HydrophobicContact CB-CD1 4.42Å; A144-I148 WeakPolarHBondContact O-CB 3.27Å; A144-I148 VanDerWaalsContact O-CG1 3.28Å; A144-I148 WeakPolarHBondContact O-CG1 3.46Å; A144-I148 PolarHBondContact O-N 3.36Å; A144-K337 HydrophobicContact CB-CB 4.47Å; A144-K337 HydrophobicContact CB-CG 4.14Å
145	A	96.6	Very high	96.6	Very high	7 Å²	7	36.2 Å²	36.2	6%	0.058	20%	0.195	C	C	.	.	H	α-helix	trans	-64.7	-40.1	-179	0	0	0	0	0	111.9	A141 H147 I148 Y149 L158 F186	A141-A145 WeakPolarHBondContact O-CB 3.39Å; A141-A145 PolarHBondContact O-N 3.26Å; A145-H147 VanDerWaalsContact C-N 3.25Å; A145-H147 PolarHBondContact O-N 3.37Å; A145-I148 PolarHBondContact O-N 2.91Å; A145-Y149 HydrophobicContact CB-CD2 4.34Å; A145-Y149 WeakPolarHBondContact O-CB 3.43Å; A145-Y149 WeakPolarHBondContact O-CD2 3.43Å; A145-Y149 PolarHBondContact O-N 3.42Å; A145-L158 HydrophobicContact CB-CD1 4.1Å; A145-F186 HydrophobicContact CB-CE1 3.72Å; A145-F186 HydrophobicContact CB-CZ 3.7Å
146	S	96.5	Very high	96.5	Very high	14 Å²	14	39.9 Å²	39.9	10%	0.098	22%	0.217	C	C	.	.	H	α-helix	trans	-60.2	-36.7	173.9	-177.5	0	0	0	0	112.2	V142 A144 Q155	V142-S146 VanDerWaalsContact O-CB 3.28Å; V142-S146 WeakPolarHBondContact O-CB 3.26Å; V142-S146 PolarHBondContact O-N 3.13Å; V142-S146 VanDerWaalsContact O-N 3.13Å; A144-S146 PolarHBondContact O-N 3.34Å; S146-Q155 PolarHBondContact O-NE2 3.42Å
147	H	96.6	Very high	96.4	Very high	51 Å²	51	41.6 Å²	41.6	24%	0.236	23%	0.227	C	C	.	.	H	α-helix	trans	-74.7	-46.8	178.3	-174.1	104.3	0	0	0	112.9	A143 A144 A145 P338 K394	A143-H147 PolarHBondContact O-N 2.84Å; A144-H147 PolarHBondContact O-N 2.92Å; A144-H147 VanDerWaalsContact O-N 3.14Å; A145-H147 VanDerWaalsContact C-N 3.25Å; A145-H147 PolarHBondContact O-N 3.37Å; H147-P338 HydrophobicContact CB-CB 4.08Å; H147-P338 HydrophobicContact CB-CG 3.75Å; H147-P338 WeakPolarHBondContact ND1-CB 3.35Å; H147-K394 VanDerWaalsContact ND1-CE 3.26Å; H147-K394 WeakPolarHBondContact ND1-CE 3.39Å
148	I	95.7	Very high	96.2	Very high	60 Å²	60	41.5 Å²	41.5	31%	0.308	23%	0.226	S	C	.	.	H	α-helix	trans	-69.3	-34.9	-175	-68.1	165.6	0	0	0	111.5	A144 A145 P150 G336 K337	A144-I148 HydrophobicContact CB-CD1 4.42Å; A144-I148 WeakPolarHBondContact O-CB 3.27Å; A144-I148 VanDerWaalsContact O-CG1 3.28Å; A144-I148 WeakPolarHBondContact O-CG1 3.46Å; A144-I148 PolarHBondContact O-N 3.36Å; A145-I148 PolarHBondContact O-N 2.91Å; I148-P150 VanDerWaalsContact C-CD 3.4Å; I148-P150 WeakPolarHBondContact O-CD 3.49Å; I148-G336 WeakPolarHBondContact CG1-O 3.31Å; I148-K337 HydrophobicContact CD1-CG 3.98Å
149	Y	94.3	Very high	96.2	Very high	75 Å²	75	42.7 Å²	42.7	29%	0.294	23%	0.233	S	C	.	.			trans	-111.1	78.8	-176.6	-56.6	-71.1	0	0	0	111.1	A145 N151 V154 Q155 L158 Y192	A145-Y149 HydrophobicContact CB-CD2 4.34Å; A145-Y149 WeakPolarHBondContact O-CB 3.43Å; A145-Y149 WeakPolarHBondContact O-CD2 3.43Å; A145-Y149 PolarHBondContact O-N 3.42Å; Y149-N151 PolarHBondContact O-N 3.02Å; Y149-V154 HydrophobicContact CD1-CG1 4.29Å; Y149-V154 HydrophobicContact CG-CG1 4.04Å; Y149-Q155 VanDerWaalsContact O-CG 3.29Å; Y149-Q155 WeakPolarHBondContact O-CG 3.37Å; Y149-Q155 PolarHBondContact O-NE2 2.84Å; Y149-L158 HydrophobicContact CD2-CD1 4.09Å; Y149-L158 HydrophobicContact CG-CD1 4.44Å; Y149-Y192 HydrophobicContact CE1-CE2 4.39Å; Y149-Y192 HydrophobicContact CE2-CE2 4.46Å; Y149-Y192 AromaticContact CZ-CE2 3.93Å
150	P	92.9	Very high	96.1	Very high	100 Å²	100	46 Å²	46	65%	0.649	26%	0.256	S	S	*	.			trans	-74.7	-13.1	-179.5	31	-36.9	0	0	0	113.3	I148 P152	I148-P150 VanDerWaalsContact C-CD 3.4Å; I148-P150 WeakPolarHBondContact O-CD 3.49Å; P150-P152 WeakPolarHBondContact O-CD 3.44Å
151	N	94.8	Very high	96	Very high	77 Å²	77	46.3 Å²	46.3	41%	0.412	26%	0.258	S	S	.	.			trans	-59.2	124.3	-179.2	-178.8	-69.3	0	0	0	110.9	Y149 F153 V154 Q155	Y149-N151 PolarHBondContact O-N 3.02Å; N151-F153 VanDerWaalsContact C-N 3.31Å; N151-F153 PolarHBondContact O-N 3.35Å; N151-F153 WeakPolarHBondContact OD1-CB 3.25Å; N151-F153 PolarHBondContact OD1-N 2.74Å; N151-V154 HydrophobicContact CB-CB 4.2Å; N151-V154 HydrophobicContact CB-CG2 3.93Å; N151-V154 PolarHBondContact O-N 2.87Å; N151-V154 VanDerWaalsContact O-N 3.16Å; N151-V154 PolarHBondContact OD1-N 3.17Å; N151-Q155 WeakPolarHBondContact O-CG 3.28Å; N151-Q155 PolarHBondContact O-N 3.24Å
152	P	94.5	Very high	96	Very high	74 Å²	74	46.2 Å²	46.2	48%	0.481	26%	0.257	S	S	.	.	H	α-helix	trans	-59.7	-33.8	-175.3	-28	35.6	0	0	0	115.2	P150 Q155 V156	P150-P152 WeakPolarHBondContact O-CD 3.44Å; P152-Q155 PolarHBondContact O-N 3.47Å; P152-V156 WeakPolarHBondContact O-CG2 3.37Å; P152-V156 PolarHBondContact O-N 3.34Å
153	F	93.9	Very high	96	Very high	171 Å²	171	49.2 Å²	49.2	75%	0.75	27%	0.273	S	S	*	.	H	α-helix	trans	-70.2	-43.2	177.8	-64.2	-76.8	0	0	0	111	N151 Q155 V156 V157	N151-F153 VanDerWaalsContact C-N 3.31Å; N151-F153 PolarHBondContact O-N 3.35Å; N151-F153 WeakPolarHBondContact OD1-CB 3.25Å; N151-F153 PolarHBondContact OD1-N 2.74Å; F153-Q155 VanDerWaalsContact C-N 3.31Å; F153-Q155 PolarHBondContact O-N 2.9Å; F153-V156 PolarHBondContact O-N 2.86Å; F153-V157 PolarHBondContact O-N 3.28Å
154	V	94	Very high	95.9	Very high	45 Å²	45	56.5 Å²	56.5	27%	0.273	30%	0.304	S	S	.	.	H	α-helix	trans	-61.4	-43.2	174.5	-178.4	0	0	0	0	110	Y149 N151 V156 V157 L158	Y149-V154 HydrophobicContact CD1-CG1 4.29Å; Y149-V154 HydrophobicContact CG-CG1 4.04Å; N151-V154 HydrophobicContact CB-CB 4.2Å; N151-V154 HydrophobicContact CB-CG2 3.93Å; N151-V154 PolarHBondContact O-N 2.87Å; N151-V154 VanDerWaalsContact O-N 3.16Å; N151-V154 PolarHBondContact OD1-N 3.17Å; V154-V156 VanDerWaalsContact C-N 3.29Å; V154-V156 PolarHBondContact O-N 3.43Å; V154-V157 WeakPolarHBondContact O-CA 3.44Å; V154-V157 WeakPolarHBondContact O-CB 3.14Å; V154-V157 PolarHBondContact O-N 2.82Å; V154-L158 HydrophobicContact CG1-CD1 4.29Å; V154-L158 HydrophobicContact CG1-CG 4.16Å; V154-L158 WeakPolarHBondContact O-CG 3.33Å; V154-L158 PolarHBondContact O-N 3.37Å
155	Q	95.4	Very high	95.9	Very high	13 Å²	13	57.2 Å²	57.2	6%	0.061	31%	0.309	C	S	.	.	H	α-helix	trans	-59.8	-34.7	177.4	-69.1	-110.1	-17.7	0	0	113.8	S146 Y149 N151 P152 F153 L158 N159 S396 K398 I399	S146-Q155 PolarHBondContact O-NE2 3.42Å; Y149-Q155 VanDerWaalsContact O-CG 3.29Å; Y149-Q155 WeakPolarHBondContact O-CG 3.37Å; Y149-Q155 PolarHBondContact O-NE2 2.84Å; N151-Q155 WeakPolarHBondContact O-CG 3.28Å; N151-Q155 PolarHBondContact O-N 3.24Å; P152-Q155 PolarHBondContact O-N 3.47Å; F153-Q155 VanDerWaalsContact C-N 3.31Å; F153-Q155 PolarHBondContact O-N 2.9Å; Q155-L158 PolarHBondContact O-N 2.97Å; Q155-N159 VanDerWaalsContact O-CB 3.3Å; Q155-N159 WeakPolarHBondContact O-CB 3.31Å; Q155-N159 PolarHBondContact O-N 3.03Å; Q155-S396 PolarHBondContact OE1-OG 2.93Å; Q155-K398 HydrophobicContact CB-CB 3.71Å; Q155-K398 HydrophobicContact CB-CG 4.28Å; Q155-I399 HydrophobicContact CB-CG1 4.48Å; Q155-I399 VanDerWaalsContact OE1-CG1 3.31Å
156	V	96.4	Very high	96	Very high	77 Å²	77	66 Å²	66	47%	0.467	35%	0.346	S	S	.	.	H	α-helix	trans	-65.7	-41.7	174.1	170.4	0	0	0	0	110.9	P152 F153 V154 N159 S160 K398	P152-V156 WeakPolarHBondContact O-CG2 3.37Å; P152-V156 PolarHBondContact O-N 3.34Å; F153-V156 PolarHBondContact O-N 2.86Å; V154-V156 VanDerWaalsContact C-N 3.29Å; V154-V156 PolarHBondContact O-N 3.43Å; V156-N159 PolarHBondContact O-N 2.97Å; V156-S160 PolarHBondContact O-N 3.13Å; V156-S160 VanDerWaalsContact O-N 3.08Å; V156-K398 HydrophobicContact CG2-CB 4.37Å; V156-K398 HydrophobicContact CG2-CD 4.07Å; V156-K398 HydrophobicContact CG2-CG 4.37Å
157	V	95.6	Very high	96	Very high	70 Å²	70	66 Å²	66	42%	0.424	35%	0.345	S	S	.	.	H	α-helix	trans	-63	-49.8	174.2	178.2	0	0	0	0	110.2	F153 V154 N159 S160 L161	F153-V157 PolarHBondContact O-N 3.28Å; V154-V157 WeakPolarHBondContact O-CA 3.44Å; V154-V157 WeakPolarHBondContact O-CB 3.14Å; V154-V157 PolarHBondContact O-N 2.82Å; V157-N159 VanDerWaalsContact C-N 3.29Å; V157-N159 PolarHBondContact O-N 2.93Å; V157-S160 WeakPolarHBondContact O-CB 3.48Å; V157-S160 PolarHBondContact O-N 2.93Å; V157-L161 HydrophobicContact CG1-CD1 4.24Å; V157-L161 HydrophobicContact CG1-CG 4.43Å; V157-L161 WeakPolarHBondContact O-CG 3.14Å; V157-L161 PolarHBondContact O-N 3.09Å
158	L	95.7	Very high	96.1	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-56.1	-44.7	177.4	-63.3	-176.3	0	0	0	111.3	A145 Y149 V154 Q155 S160 L161 I162 F186 I399	A145-L158 HydrophobicContact CB-CD1 4.1Å; Y149-L158 HydrophobicContact CD2-CD1 4.09Å; Y149-L158 HydrophobicContact CG-CD1 4.44Å; V154-L158 HydrophobicContact CG1-CD1 4.29Å; V154-L158 HydrophobicContact CG1-CG 4.16Å; V154-L158 WeakPolarHBondContact O-CG 3.33Å; V154-L158 PolarHBondContact O-N 3.37Å; Q155-L158 PolarHBondContact O-N 2.97Å; L158-S160 VanDerWaalsContact C-N 3.33Å; L158-S160 PolarHBondContact O-N 2.97Å; L158-L161 PolarHBondContact O-N 3.33Å; L158-L161 VanDerWaalsContact O-N 3.15Å; L158-I162 HydrophobicContact CB-CD1 4.49Å; L158-I162 WeakPolarHBondContact O-CB 3.5Å; L158-I162 WeakPolarHBondContact O-CD1 3.3Å; L158-I162 WeakPolarHBondContact O-CG1 3.41Å; L158-I162 PolarHBondContact O-N 3.1Å; L158-F186 HydrophobicContact CB-CE2 4.38Å; L158-F186 HydrophobicContact CD2-CE2 3.95Å; L158-F186 HydrophobicContact CD2-CZ 3.9Å; L158-I399 HydrophobicContact CB-CD1 4.47Å
159	N	97.2	Very high	96.2	Very high	28 Å²	28	62.3 Å²	62.3	15%	0.15	33%	0.33	C	S	.	.	H	α-helix	trans	-57.3	-44.2	175.9	179.8	72.9	0	0	0	112.4	Q155 V156 V157 L161 I162 N163 K398 I399 Q400	Q155-N159 VanDerWaalsContact O-CB 3.3Å; Q155-N159 WeakPolarHBondContact O-CB 3.31Å; Q155-N159 PolarHBondContact O-N 3.03Å; V156-N159 PolarHBondContact O-N 2.97Å; V157-N159 VanDerWaalsContact C-N 3.29Å; V157-N159 PolarHBondContact O-N 2.93Å; N159-L161 VanDerWaalsContact C-N 3.32Å; N159-L161 PolarHBondContact O-N 3.12Å; N159-I162 PolarHBondContact O-N 2.93Å; N159-N163 WeakPolarHBondContact O-CB 3.49Å; N159-N163 VanDerWaalsContact O-CG 3.28Å; N159-N163 PolarHBondContact O-N 3.22Å; N159-K398 VanDerWaalsContact CB-O 3.31Å; N159-K398 WeakPolarHBondContact CB-O 3.48Å; N159-K398 VanDerWaalsContact CG-O 3.22Å; N159-K398 PolarHBondContact OD1-O 2.83Å; N159-I399 HydrophobicContact CB-CG1 4.33Å; N159-I399 WeakPolarHBondContact OD1-CA 3.4Å; N159-Q400 WeakPolarHBondContact OD1-CB 3.47Å; N159-Q400 PolarHBondContact OD1-N 2.8Å
160	S	97.3	Very high	96.4	Very high	72 Å²	72	59.5 Å²	59.5	50%	0.503	32%	0.32	S	S	.	.	H	α-helix	trans	-61.9	-40.7	176.5	-171.8	0	0	0	0	112	V156 V157 L158 K164	V156-S160 PolarHBondContact O-N 3.13Å; V156-S160 VanDerWaalsContact O-N 3.08Å; V157-S160 WeakPolarHBondContact O-CB 3.48Å; V157-S160 PolarHBondContact O-N 2.93Å; L158-S160 VanDerWaalsContact C-N 3.33Å; L158-S160 PolarHBondContact O-N 2.97Å; S160-K164 VanDerWaalsContact O-CB 3.29Å; S160-K164 WeakPolarHBondContact O-CB 3.24Å; S160-K164 PolarHBondContact O-N 2.65Å
161	L	97.5	Very high	96.7	Very high	22 Å²	22	55.8 Å²	55.8	12%	0.115	29%	0.293	C	S	.	.	H	α-helix	trans	-70.9	-42.9	179.6	-60.8	-179.2	0	0	0	112	V157 L158 N159 N163 K164 S165 F186 L189 V190	V157-L161 HydrophobicContact CG1-CD1 4.24Å; V157-L161 HydrophobicContact CG1-CG 4.43Å; V157-L161 WeakPolarHBondContact O-CG 3.14Å; V157-L161 PolarHBondContact O-N 3.09Å; L158-L161 PolarHBondContact O-N 3.33Å; L158-L161 VanDerWaalsContact O-N 3.15Å; N159-L161 VanDerWaalsContact C-N 3.32Å; N159-L161 PolarHBondContact O-N 3.12Å; L161-N163 VanDerWaalsContact C-N 3.33Å; L161-N163 PolarHBondContact O-N 2.64Å; L161-K164 PolarHBondContact O-N 3.45Å; L161-S165 PolarHBondContact O-N 2.86Å; L161-S165 PolarHBondContact O-OG 2.78Å; L161-F186 HydrophobicContact CB-CD2 3.91Å; L161-F186 HydrophobicContact CB-CE2 4.11Å; L161-L189 HydrophobicContact CB-CB 4.45Å; L161-L189 HydrophobicContact CD2-CB 4.01Å; L161-V190 HydrophobicContact CD1-CB 4.46Å; L161-V190 HydrophobicContact CD1-CG2 3.95Å
162	I	97.8	Very high	96.9	Very high	1 Å²	1	56.3 Å²	56.3	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-57	-47.2	174.5	-70.8	166.5	0	0	0	110.3	V142 L158 N159 S165 K166 S167 F186 I399 V401	V142-I162 HydrophobicContact CG1-CD1 4.2Å; V142-I162 HydrophobicContact CG2-CD1 4.22Å; V142-I162 HydrophobicContact CG2-CG1 4.19Å; V142-I162 HydrophobicContact CG2-CG2 4.44Å; L158-I162 HydrophobicContact CB-CD1 4.49Å; L158-I162 WeakPolarHBondContact O-CB 3.5Å; L158-I162 WeakPolarHBondContact O-CD1 3.3Å; L158-I162 WeakPolarHBondContact O-CG1 3.41Å; L158-I162 PolarHBondContact O-N 3.1Å; N159-I162 PolarHBondContact O-N 2.93Å; I162-S165 PolarHBondContact O-N 2.85Å; I162-S165 PolarHBondContact O-OG 2.79Å; I162-K166 PolarHBondContact O-N 3.41Å; I162-S167 WeakPolarHBondContact CG2-O 2.86Å; I162-S167 PolarHBondContact O-N 2.94Å; I162-F186 HydrophobicContact CB-CD2 4.44Å; I162-F186 HydrophobicContact CD1-CE2 4.26Å; I162-F186 HydrophobicContact CD1-CZ 4.32Å; I162-F186 HydrophobicContact CG1-CB 4.5Å; I162-F186 HydrophobicContact CG1-CD1 4.28Å; I162-F186 HydrophobicContact CG1-CD2 3.49Å; I162-F186 VanDerWaalsContact CG1-CD2 3.49Å; I162-F186 HydrophobicContact CG1-CE1 4.39Å; I162-F186 HydrophobicContact CG1-CE2 3.64Å; I162-F186 HydrophobicContact CG1-CG 3.83Å; I162-F186 HydrophobicContact CG1-CZ 4.08Å; I162-I399 HydrophobicContact CD1-CD1 4.41Å; I162-I399 HydrophobicContact CD1-CG2 3.87Å; I162-V401 HydrophobicContact CG2-CG1 4.18Å; I162-V401 HydrophobicContact CG2-CG2 3.9Å
163	N	97.1	Very high	97.1	Very high	64 Å²	64	54.7 Å²	54.7	34%	0.342	28%	0.284	S	S	.	.	H	α-helix	trans	-66	-40.7	178.2	-73.5	-8.8	0	0	0	111.6	N159 L161 K166 Q400	N159-N163 WeakPolarHBondContact O-CB 3.49Å; N159-N163 VanDerWaalsContact O-CG 3.28Å; N159-N163 PolarHBondContact O-N 3.22Å; L161-N163 VanDerWaalsContact C-N 3.33Å; L161-N163 PolarHBondContact O-N 2.64Å; N163-K166 PolarHBondContact O-N 3.36Å; N163-K166 VanDerWaalsContact O-N 3.1Å; N163-Q400 PolarHBondContact ND2-OE1 3.49Å
164	K	97.2	Very high	97.3	Very high	156 Å²	156	47.9 Å²	47.9	68%	0.678	26%	0.256	S	S	*	.	H	α-helix	trans	-64.8	-38.7	178.3	-174.1	176.2	178.8	-176.2	0	112.5	S160 L161 K166 L189	S160-K164 VanDerWaalsContact O-CB 3.29Å; S160-K164 WeakPolarHBondContact O-CB 3.24Å; S160-K164 PolarHBondContact O-N 2.65Å; L161-K164 PolarHBondContact O-N 3.45Å; K164-K166 PolarHBondContact O-N 2.88Å; K164-L189 HydrophobicContact CB-CD1 4.15Å; K164-L189 HydrophobicContact CD-CD1 4.21Å; K164-L189 HydrophobicContact CG-CD1 4.08Å
165	S	97.4	Very high	97.5	Very high	25 Å²	25	45.7 Å²	45.7	18%	0.175	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-3.6	174.6	65.9	0	0	0	0	113.4	L161 I162 S167 F186	L161-S165 PolarHBondContact O-N 2.86Å; L161-S165 PolarHBondContact O-OG 2.78Å; I162-S165 PolarHBondContact O-N 2.85Å; I162-S165 PolarHBondContact O-OG 2.79Å; S165-S167 PolarHBondContact O-N 3.19Å; S165-S167 WeakPolarHBondContact OG-CB 3.44Å; S165-S167 PolarHBondContact OG-N 2.83Å; S165-S167 PolarHBondContact OG-OG 3.37Å; S165-F186 WeakPolarHBondContact OG-CB 3.47Å
166	K	97.5	Very high	97.7	Very high	192 Å²	192	52.2 Å²	52.2	84%	0.835	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	29.9	-171.2	-53.5	179.4	-179.4	179	0	112.5	I162 N163 K164	I162-K166 PolarHBondContact O-N 3.41Å; N163-K166 PolarHBondContact O-N 3.36Å; N163-K166 VanDerWaalsContact O-N 3.1Å; K164-K166 PolarHBondContact O-N 2.88Å
167	S	97.8	Very high	97.8	Very high	12 Å²	12	51.3 Å²	51.3	8%	0.084	26%	0.258	C	S	.	.			trans	-73.5	146.9	174.5	-66.8	0	0	0	0	110.2	I162 S165 F186	I162-S167 WeakPolarHBondContact CG2-O 2.86Å; I162-S167 PolarHBondContact O-N 2.94Å; S165-S167 PolarHBondContact O-N 3.19Å; S165-S167 WeakPolarHBondContact OG-CB 3.44Å; S165-S167 PolarHBondContact OG-N 2.83Å; S165-S167 PolarHBondContact OG-OG 3.37Å; S167-F186 WeakPolarHBondContact OG-CB 3.41Å
168	S	98.1	Very high	98	Very high	33 Å²	33	48 Å²	48	23%	0.231	24%	0.238	C	C	.	.			trans	-126.4	177.3	178.6	-170.3	0	0	0	0	110.9	M77 N139 F170	M77-S168 PolarHBondContact SD-OG 3.16Å; N139-S168 WeakPolarHBondContact CB-O 3.41Å; N139-S168 PolarHBondContact ND2-O 3.12Å; S168-F170 VanDerWaalsContact C-N 3.26Å; S168-F170 PolarHBondContact O-N 3.38Å
169	M	98.2	Very high	98.1	Very high	1 Å²	1	48 Å²	48	1%	0.005	24%	0.238	C	C	.	.	S	Bend	trans	-60.1	-37.7	175.1	178.8	-180	175.9	0	0	111.9	V76 M77 L138 N139 V393 L402 L405	V76-M169 HydrophobicContact CG1-CE 3.96Å; V76-M169 HydrophobicContact CG1-SD 4.45Å; M77-M169 HydrophobicContact CB-CB 4.45Å; M77-M169 HydrophobicContact CB-SD 4.15Å; M77-M169 HydrophobicContact CG-CB 4.04Å; M77-M169 HydrophobicContact CG-SD 4.34Å; M77-M169 HydrophobicContact SD-CB 4.03Å; L138-M169 HydrophobicContact CD1-CE 4.1Å; L138-M169 HydrophobicContact CD1-CG 4.07Å; L138-M169 WeakPolarHBondContact CD1-O 3.2Å; N139-M169 VanDerWaalsContact CB-O 3.32Å; N139-M169 WeakPolarHBondContact CB-O 3.48Å; N139-M169 PolarHBondContact N-O 3.25Å; M169-V393 HydrophobicContact CE-CG1 3.95Å; M169-V393 HydrophobicContact CE-CG2 4.45Å; M169-L402 HydrophobicContact CB-CD2 4.17Å; M169-L402 HydrophobicContact CG-CD2 3.87Å; M169-L402 HydrophobicContact SD-CD2 4.25Å; M169-L405 HydrophobicContact CE-CD1 4Å; M169-L405 HydrophobicContact CE-CD2 3.96Å; M169-L405 HydrophobicContact SD-CD1 4.21Å; M169-L405 HydrophobicContact SD-CD2 3.9Å; M169-L405 HydrophobicContact SD-CG 4.44Å
170	F	98.8	Very high	98.2	Very high	17 Å²	17	48.7 Å²	48.7	8%	0.075	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	158	175.5	-64	-84.1	0	0	0	110.4	V70 P73 V76 T136 V137 L138 S168	V70-F170 HydrophobicContact CB-CD1 4.37Å; V70-F170 HydrophobicContact CB-CE1 4.34Å; V70-F170 HydrophobicContact CG1-CD1 4.15Å; V70-F170 HydrophobicContact CG1-CE1 3.88Å; V70-F170 HydrophobicContact CG1-CZ 4.31Å; V70-F170 HydrophobicContact CG2-CD1 4.14Å; V70-F170 HydrophobicContact CG2-CE1 3.89Å; P73-F170 HydrophobicContact CB-CB 3.8Å; P73-F170 HydrophobicContact CB-CD1 4.34Å; P73-F170 HydrophobicContact CB-CD2 3.59Å; P73-F170 HydrophobicContact CB-CE2 4.25Å; P73-F170 HydrophobicContact CB-CG 3.64Å; P73-F170 WeakPolarHBondContact O-CD2 3.37Å; P73-F170 WeakPolarHBondContact O-CE2 3.29Å; V76-F170 HydrophobicContact CB-CE2 3.88Å; V76-F170 HydrophobicContact CB-CZ 4.07Å; V76-F170 HydrophobicContact CG1-CE2 3.93Å; V76-F170 HydrophobicContact CG1-CZ 3.87Å; T136-F170 HydrophobicContact CG2-CB 4.25Å; V137-F170 CarbonylContact O-C 3.45Å; V137-F170 WeakPolarHBondContact O-CA 3.36Å; L138-F170 HydrophobicContact CD1-CE1 4.39Å; S168-F170 VanDerWaalsContact C-N 3.26Å; S168-F170 PolarHBondContact O-N 3.38Å
171	Q	98.5	Very high	98.2	Very high	21 Å²	21	45.6 Å²	45.6	10%	0.098	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	160.1	177.8	61.6	178.7	-25	0	0	110.5	T136 V137 L138 N139 R173 Y182	T136-Q171 WeakPolarHBondContact CA-O 3.25Å; V137-Q171 HydrophobicContact CG2-CG 4.2Å; V137-Q171 PolarHBondContact N-O 3.4Å; V137-Q171 PolarHBondContact O-N 3.3Å; L138-Q171 PolarHBondContact O-NE2 3.19Å; N139-Q171 HydrophobicContact CB-CG 4.29Å; Q171-R173 HydrophobicContact CG-CG 4.05Å; Q171-Y182 PolarHBondContact NE2-OH 2.96Å
172	V	98.8	Very high	98.2	Very high	89 Å²	89	45 Å²	45	54%	0.539	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	127.7	169.7	-178.4	0	0	0	0	108.6	N134 F135	N134-V172 HydrophobicContact CB-CG1 3.8Å; F135-V172 VanDerWaalsContact O-CA 3.27Å; F135-V172 WeakPolarHBondContact O-CA 3.29Å
173	R	98.6	Very high	98.3	Very high	39 Å²	39	48.9 Å²	48.9	15%	0.147	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	150.1	177.2	-68.7	-64.5	177.7	178.8	-3	111	N134 F135 Q171 E177 Y182	N134-R173 WeakPolarHBondContact CA-O 3.49Å; F135-R173 PolarHBondContact N-O 2.96Å; F135-R173 PolarHBondContact O-N 3.31Å; Q171-R173 HydrophobicContact CG-CG 4.05Å; R173-E177 HydrophobicContact CB-CB 4.37Å; R173-E177 IonicContact NH1-OE1 2.65Å; R173-E177 PolarHBondContact NH1-OE1 3.19Å; R173-Y182 HydrophobicContact CG-CD1 4.5Å; R173-Y182 HydrophobicContact CG-CE1 4.21Å; R173-Y182 VanDerWaalsContact CZ-CE2 3.41Å; R173-Y182 VanDerWaalsContact NH2-CD2 3.3Å; R173-Y182 VanDerWaalsContact NH2-CE2 3.26Å
174	T	98.9	Very high	98.3	Very high	28 Å²	28	45.9 Å²	45.9	17%	0.172	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	158.1	168.7	61.1	0	0	0	0	110.8	D133 N134 R176 E177 L178	D133-T174 CarbonylContact O-C 3.48Å; D133-T174 VanDerWaalsContact O-CA 3.25Å; D133-T174 WeakPolarHBondContact O-CA 3.44Å; N134-T174 WeakPolarHBondContact OD1-CG2 3.33Å; T174-R176 VanDerWaalsContact C-N 3.26Å; T174-R176 PolarHBondContact O-N 2.95Å; T174-E177 PolarHBondContact N-OE2 2.03Å; T174-E177 PolarHBondContact O-N 3.12Å; T174-E177 WeakPolarHBondContact OG1-CB 3.04Å; T174-E177 WeakPolarHBondContact OG1-CG 3.48Å; T174-E177 PolarHBondContact OG1-N 2.93Å; T174-E177 PolarHBondContact OG1-OE2 3.21Å; T174-L178 PolarHBondContact O-N 3.43Å
175	L	98.8	Very high	98.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-52.3	-47.6	171.8	-171.7	78.4	0	0	0	111.4	I67 Y91 Y93 E131 D133 F135 E177 L178 L179	I67-L175 HydrophobicContact CD1-CD1 3.87Å; I67-L175 HydrophobicContact CG1-CD1 3.7Å; Y91-L175 HydrophobicContact CD1-CD1 4.42Å; Y91-L175 HydrophobicContact CD1-CD2 3.44Å; Y91-L175 VanDerWaalsContact CD1-CD2 3.44Å; Y91-L175 HydrophobicContact CD1-CG 4.45Å; Y91-L175 HydrophobicContact CD2-CD1 3.81Å; Y91-L175 HydrophobicContact CD2-CD2 4.25Å; Y91-L175 HydrophobicContact CE1-CD2 4.19Å; Y91-L175 HydrophobicContact CE2-CD1 4.29Å; Y91-L175 HydrophobicContact CG-CD1 3.89Å; Y91-L175 HydrophobicContact CG-CD2 3.46Å; Y91-L175 VanDerWaalsContact CG-CD2 3.46Å; Y91-L175 HydrophobicContact CG-CG 4.3Å; Y93-L175 HydrophobicContact CE2-CD2 4.32Å; E131-L175 WeakPolarHBondContact O-CB 3.36Å; E131-L175 PolarHBondContact O-N 2.87Å; D133-L175 PolarHBondContact O-N 3.02Å; F135-L175 HydrophobicContact CE2-CB 3.9Å; F135-L175 HydrophobicContact CE2-CD1 3.91Å; F135-L175 HydrophobicContact CZ-CD1 4.26Å; L175-E177 VanDerWaalsContact C-N 3.34Å; L175-E177 PolarHBondContact O-N 2.82Å; L175-L178 PolarHBondContact O-N 3.01Å; L175-L179 HydrophobicContact CD1-CD1 3.99Å; L175-L179 HydrophobicContact CD1-CG 4.3Å; L175-L179 HydrophobicContact CD2-CD1 4.19Å; L175-L179 HydrophobicContact CG-CD1 3.79Å; L175-L179 HydrophobicContact CG-CG 4.26Å; L175-L179 WeakPolarHBondContact O-CG 3.26Å; L175-L179 PolarHBondContact O-N 2.87Å
176	R	98.6	Very high	98.3	Very high	150 Å²	150	39.9 Å²	39.9	57%	0.566	20%	0.198	S	C	*	.	H	α-helix	trans	-57.7	-46.7	-177.9	-167.5	-179.9	173.8	111.7	-8.1	111.9	E131 T174 W180	E131-R176 HydrophobicContact CB-CB 4.09Å; E131-R176 PolarHBondContact O-N 2.79Å; E131-R176 IonicContact OE2-NH1 3.26Å; E131-R176 PolarHBondContact OE2-NH1 3.49Å; E131-R176 VanDerWaalsContact OE2-NH1 3.1Å; T174-R176 VanDerWaalsContact C-N 3.26Å; T174-R176 PolarHBondContact O-N 2.95Å; R176-W180 WeakPolarHBondContact O-CB 3.23Å; R176-W180 PolarHBondContact O-N 2.88Å
177	E	98.7	Very high	98.2	Very high	57 Å²	57	31.7 Å²	31.7	27%	0.266	16%	0.163	S	C	.	.	H	α-helix	trans	-64	-48.9	177.6	-74.9	175.3	115	0	0	111	R173 T174 L175 L179 G181 Y182	R173-E177 HydrophobicContact CB-CB 4.37Å; R173-E177 IonicContact NH1-OE1 2.65Å; R173-E177 PolarHBondContact NH1-OE1 3.19Å; T174-E177 PolarHBondContact N-OE2 2.03Å; T174-E177 PolarHBondContact O-N 3.12Å; T174-E177 WeakPolarHBondContact OG1-CB 3.04Å; T174-E177 WeakPolarHBondContact OG1-CG 3.48Å; T174-E177 PolarHBondContact OG1-N 2.93Å; T174-E177 PolarHBondContact OG1-OE2 3.21Å; L175-E177 VanDerWaalsContact C-N 3.34Å; L175-E177 PolarHBondContact O-N 2.82Å; E177-L179 PolarHBondContact O-N 2.85Å; E177-G181 CarbonylContact O-C 3.6Å; E177-G181 WeakPolarHBondContact O-CA 3.28Å; E177-G181 PolarHBondContact O-N 2.9Å; E177-Y182 HydrophobicContact CB-CD1 3.91Å; E177-Y182 HydrophobicContact CB-CG 4.25Å; E177-Y182 WeakPolarHBondContact O-CD1 3.34Å
178	L	98.7	Very high	98.1	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-60.9	-44.6	-176.9	-179.8	59.1	0	0	0	112.2	I67 V137 L140 T174 L175 M200 I413	I67-L178 HydrophobicContact CD1-CD2 4.18Å; I67-L178 HydrophobicContact CG2-CD2 3.86Å; V137-L178 HydrophobicContact CG1-CD2 4.01Å; V137-L178 HydrophobicContact CG2-CD1 4.18Å; V137-L178 HydrophobicContact CG2-CD2 4.49Å; L140-L178 HydrophobicContact CD1-CD1 4.1Å; T174-L178 PolarHBondContact O-N 3.43Å; L175-L178 PolarHBondContact O-N 3.01Å; L178-M200 HydrophobicContact CD1-CG 3.96Å; L178-M200 HydrophobicContact CG-CG 4.23Å; L178-M200 WeakPolarHBondContact O-CG 3.49Å; L178-M200 PolarHBondContact O-N 2.74Å; L178-I413 HydrophobicContact CD1-CG2 4.21Å; L178-I413 HydrophobicContact CD2-CG2 4.41Å
179	L	98.6	Very high	98	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-76.1	-53.3	-178.4	-63.8	-178.3	0	0	0	112.1	F65 Y93 L175 E177 F201 L414	F65-L179 HydrophobicContact CD1-CD2 4.13Å; F65-L179 HydrophobicContact CD2-CD1 3.66Å; F65-L179 HydrophobicContact CD2-CD2 4.38Å; F65-L179 HydrophobicContact CE1-CD2 4.24Å; F65-L179 HydrophobicContact CE2-CD1 3.83Å; F65-L179 HydrophobicContact CE2-CD2 4.47Å; F65-L179 HydrophobicContact CG-CD1 4.17Å; F65-L179 HydrophobicContact CG-CD2 4.19Å; F65-L179 HydrophobicContact CZ-CD1 4.47Å; F65-L179 HydrophobicContact CZ-CD2 4.38Å; Y93-L179 HydrophobicContact CE2-CD1 3.77Å; L175-L179 HydrophobicContact CD1-CD1 3.99Å; L175-L179 HydrophobicContact CD1-CG 4.3Å; L175-L179 HydrophobicContact CD2-CD1 4.19Å; L175-L179 HydrophobicContact CG-CD1 3.79Å; L175-L179 HydrophobicContact CG-CG 4.26Å; L175-L179 WeakPolarHBondContact O-CG 3.26Å; L175-L179 PolarHBondContact O-N 2.87Å; E177-L179 PolarHBondContact O-N 2.85Å; L179-F201 HydrophobicContact CB-CD2 4.43Å; L179-F201 HydrophobicContact CD2-CD2 3.91Å; L179-F201 HydrophobicContact CD2-CE2 3.79Å; L179-F201 WeakPolarHBondContact O-CA 3.34Å; L179-F201 PolarHBondContact O-N 3.07Å; L179-L414 HydrophobicContact CD2-CD2 3.58Å
180	W	98.4	Very high	97.6	Very high	43 Å²	43	36.2 Å²	36.2	16%	0.163	19%	0.189	C	C	.	.	H	α-helix	trans	-103.6	-9.1	-164.9	-46.5	121.7	0	0	0	114.2	F65 Y93 A120 R176 F201 Y202 Y204	F65-W180 HydrophobicContact CE2-CH2 4.4Å; F65-W180 HydrophobicContact CE2-CZ2 4.42Å; F65-W180 HydrophobicContact CZ-CH2 4.47Å; Y93-W180 AromaticContact CD1-CZ2 3.75Å; Y93-W180 HydrophobicContact CD1-CZ2 3.75Å; Y93-W180 HydrophobicContact CD2-CZ2 4.23Å; Y93-W180 AromaticContact CE1-CE2 3.84Å; Y93-W180 AromaticContact CE1-CZ2 3.53Å; Y93-W180 HydrophobicContact CE1-CZ2 3.53Å; Y93-W180 AromaticContact CE1-NE1 3.59Å; Y93-W180 HydrophobicContact CE2-CZ2 4.03Å; Y93-W180 HydrophobicContact CG-CZ2 4.1Å; Y93-W180 AromaticContact CZ-CE2 3.92Å; Y93-W180 AromaticContact CZ-CZ2 3.68Å; Y93-W180 AromaticContact CZ-NE1 3.53Å; Y93-W180 PolarHBondContact OH-NE1 3.41Å; A120-W180 HydrophobicContact CB-CH2 3.58Å; A120-W180 HydrophobicContact CB-CZ2 3.87Å; A120-W180 HydrophobicContact CB-CZ3 4.3Å; R176-W180 WeakPolarHBondContact O-CB 3.23Å; R176-W180 PolarHBondContact O-N 2.88Å; W180-F201 HydrophobicContact CE3-CB 4.1Å; W180-F201 HydrophobicContact CZ3-CB 3.82Å; W180-F201 HydrophobicContact CZ3-CG 4.38Å; W180-Y202 VanDerWaalsContact O-CD2 3.28Å; W180-Y202 WeakPolarHBondContact O-CD2 3.46Å; W180-Y204 HydrophobicContact CE3-CG 4.4Å; W180-Y204 HydrophobicContact CH2-CD1 4.31Å; W180-Y204 AromaticContact CZ3-CD1 3.73Å; W180-Y204 HydrophobicContact CZ3-CD1 3.73Å; W180-Y204 HydrophobicContact CZ3-CE1 4.44Å; W180-Y204 AromaticContact CZ3-CG 3.77Å; W180-Y204 HydrophobicContact CZ3-CG 3.77Å
181	G	98.1	Very high	97	Very high	7 Å²	7	40.6 Å²	40.6	7%	0.072	22%	0.219	C	C	.	.			trans	106.8	140.4	163.8	0	0	0	0	0	115.3	E177 R197 V198	E177-G181 CarbonylContact O-C 3.6Å; E177-G181 WeakPolarHBondContact O-CA 3.28Å; E177-G181 PolarHBondContact O-N 2.9Å; G181-R197 PolarHBondContact O-NE 2.8Å; G181-R197 PolarHBondContact O-NH2 3.38Å; G181-R197 VanDerWaalsContact O-NH2 3.14Å; G181-V198 CarbonylContact C-O 3.59Å; G181-V198 WeakPolarHBondContact CA-O 3.48Å
182	Y	98.5	Very high	96.2	Very high	9 Å²	9	43.1 Å²	43.1	4%	0.035	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	157.2	178.2	61.1	-84.5	0	0	0	110.7	Q171 R173 E177 D184 R197 V198	Q171-Y182 PolarHBondContact NE2-OH 2.96Å; R173-Y182 HydrophobicContact CG-CD1 4.5Å; R173-Y182 HydrophobicContact CG-CE1 4.21Å; R173-Y182 VanDerWaalsContact CZ-CE2 3.41Å; R173-Y182 VanDerWaalsContact NH2-CD2 3.3Å; R173-Y182 VanDerWaalsContact NH2-CE2 3.26Å; E177-Y182 HydrophobicContact CB-CD1 3.91Å; E177-Y182 HydrophobicContact CB-CG 4.25Å; E177-Y182 WeakPolarHBondContact O-CD1 3.34Å; Y182-D184 HydrophobicContact CD2-CB 4.49Å; Y182-D184 HydrophobicContact CE2-CB 4.01Å; Y182-D184 PolarHBondContact O-N 2.92Å; Y182-R197 VanDerWaalsContact O-CA 3.32Å; Y182-R197 WeakPolarHBondContact O-CA 3.05Å; Y182-V198 HydrophobicContact CD1-CG2 4.37Å; Y182-V198 WeakPolarHBondContact CD1-O 3.17Å; Y182-V198 HydrophobicContact CD2-CG2 4.18Å; Y182-V198 HydrophobicContact CE1-CG2 3.75Å; Y182-V198 HydrophobicContact CE2-CG2 3.52Å; Y182-V198 PolarHBondContact N-O 3.25Å; Y182-V198 PolarHBondContact O-N 2.79Å; Y182-V198 VanDerWaalsContact OH-CG2 3.23Å; Y182-V198 WeakPolarHBondContact OH-CG2 3.47Å
183	T	98.2	Very high	95.6	Very high	83 Å²	83	45.4 Å²	45.4	51%	0.509	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	116.1	171	-57	0	0	0	0	108.9	S188	T183-S188 VanDerWaalsContact CG2-OG 3.27Å; T183-S188 WeakPolarHBondContact CG2-OG 3.27Å
184	D	98.3	Very high	95.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.249	C	C	.	.			trans	-77.6	127.7	179.2	-178.4	-92.5	0	0	0	110.5	A141 Y182 F186 L187 S188 T196 V198	A141-D184 HydrophobicContact CB-CB 4.08Å; A141-D184 VanDerWaalsContact CB-CG 3.4Å; Y182-D184 HydrophobicContact CD2-CB 4.49Å; Y182-D184 HydrophobicContact CE2-CB 4.01Å; Y182-D184 PolarHBondContact O-N 2.92Å; D184-F186 VanDerWaalsContact C-N 3.28Å; D184-F186 PolarHBondContact O-N 2.59Å; D184-F186 VanDerWaalsContact OD1-CA 3.31Å; D184-F186 WeakPolarHBondContact OD1-CA 3.34Å; D184-F186 WeakPolarHBondContact OD1-CB 3.43Å; D184-F186 WeakPolarHBondContact OD1-CD1 3.37Å; D184-F186 PolarHBondContact OD1-N 3.35Å; D184-L187 HydrophobicContact CB-CB 4.12Å; D184-L187 HydrophobicContact CB-CD1 4.03Å; D184-L187 HydrophobicContact CB-CG 4.07Å; D184-L187 PolarHBondContact O-N 2.87Å; D184-L187 PolarHBondContact OD1-N 3.34Å; D184-S188 WeakPolarHBondContact O-CB 3.5Å; D184-S188 PolarHBondContact O-N 2.93Å; D184-S188 PolarHBondContact O-OG 3.35Å; D184-T196 PolarHBondContact N-O 2.79Å; D184-V198 HydrophobicContact CB-CG2 4.02Å
185	P	97.2	Very high	94.8	Very high	56 Å²	56	47.8 Å²	47.8	36%	0.364	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-25.7	-176.1	28.5	-36.2	0	0	0	112.8	L189	P185-L189 WeakPolarHBondContact O-CG 3.45Å
186	F	96.6	Very high	94.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-48.5	175.6	143.4	-114.8	0	0	0	110.5	A141 V142 A145 L158 L161 I162 S165 S167 D184 S188 L189 V190	A141-F186 HydrophobicContact CB-CD1 3.92Å; A141-F186 HydrophobicContact CB-CE1 4.24Å; V142-F186 HydrophobicContact CG2-CD1 4.34Å; A145-F186 HydrophobicContact CB-CE1 3.72Å; A145-F186 HydrophobicContact CB-CZ 3.7Å; L158-F186 HydrophobicContact CB-CE2 4.38Å; L158-F186 HydrophobicContact CD2-CE2 3.95Å; L158-F186 HydrophobicContact CD2-CZ 3.9Å; L161-F186 HydrophobicContact CB-CD2 3.91Å; L161-F186 HydrophobicContact CB-CE2 4.11Å; I162-F186 HydrophobicContact CB-CD2 4.44Å; I162-F186 HydrophobicContact CD1-CE2 4.26Å; I162-F186 HydrophobicContact CD1-CZ 4.32Å; I162-F186 HydrophobicContact CG1-CB 4.5Å; I162-F186 HydrophobicContact CG1-CD1 4.28Å; I162-F186 HydrophobicContact CG1-CD2 3.49Å; I162-F186 VanDerWaalsContact CG1-CD2 3.49Å; I162-F186 HydrophobicContact CG1-CE1 4.39Å; I162-F186 HydrophobicContact CG1-CE2 3.64Å; I162-F186 HydrophobicContact CG1-CG 3.83Å; I162-F186 HydrophobicContact CG1-CZ 4.08Å; S165-F186 WeakPolarHBondContact OG-CB 3.47Å; S167-F186 WeakPolarHBondContact OG-CB 3.41Å; D184-F186 VanDerWaalsContact C-N 3.28Å; D184-F186 PolarHBondContact O-N 2.59Å; D184-F186 VanDerWaalsContact OD1-CA 3.31Å; D184-F186 WeakPolarHBondContact OD1-CA 3.34Å; D184-F186 WeakPolarHBondContact OD1-CB 3.43Å; D184-F186 WeakPolarHBondContact OD1-CD1 3.37Å; D184-F186 PolarHBondContact OD1-N 3.35Å; F186-S188 PolarHBondContact O-N 3.36Å; F186-L189 PolarHBondContact O-N 2.65Å; F186-V190 HydrophobicContact CE2-CG2 4.22Å
187	L	96.1	Very high	94.5	Very high	19 Å²	19	48.6 Å²	48.6	10%	0.099	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-63.5	-30.6	178.7	-64	178.3	0	0	0	112.4	A141 D184 L189 V190 S195 V198	A141-L187 HydrophobicContact CB-CD1 3.68Å; A141-L187 HydrophobicContact CB-CD2 4.37Å; A141-L187 HydrophobicContact CB-CG 3.8Å; D184-L187 HydrophobicContact CB-CB 4.12Å; D184-L187 HydrophobicContact CB-CD1 4.03Å; D184-L187 HydrophobicContact CB-CG 4.07Å; D184-L187 PolarHBondContact O-N 2.87Å; D184-L187 PolarHBondContact OD1-N 3.34Å; L187-L189 PolarHBondContact O-N 3.39Å; L187-L189 VanDerWaalsContact O-N 3.17Å; L187-V190 HydrophobicContact CD2-CG2 4.31Å; L187-V190 WeakPolarHBondContact O-CB 3.39Å; L187-V190 PolarHBondContact O-N 3.23Å; L187-V190 VanDerWaalsContact O-N 3.08Å; L187-S195 WeakPolarHBondContact CD1-O 3.3Å; L187-V198 HydrophobicContact CD1-CG1 3.48Å; L187-V198 VanDerWaalsContact CD1-CG1 3.48Å
188	S	96	Very high	94.5	Very high	60 Å²	60	47 Å²	47	42%	0.42	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-63.6	-17.3	175.2	-58.9	0	0	0	0	114	T183 D184 F186	T183-S188 VanDerWaalsContact CG2-OG 3.27Å; T183-S188 WeakPolarHBondContact CG2-OG 3.27Å; D184-S188 WeakPolarHBondContact O-CB 3.5Å; D184-S188 PolarHBondContact O-N 2.93Å; D184-S188 PolarHBondContact O-OG 3.35Å; F186-S188 PolarHBondContact O-N 3.36Å
189	L	95.2	Very high	94.4	Very high	64 Å²	64	47.9 Å²	47.9	34%	0.335	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-96.7	-3.1	177	-59.4	176.7	0	0	0	113	L161 K164 P185 F186 L187	L161-L189 HydrophobicContact CB-CB 4.45Å; L161-L189 HydrophobicContact CD2-CB 4.01Å; K164-L189 HydrophobicContact CB-CD1 4.15Å; K164-L189 HydrophobicContact CD-CD1 4.21Å; K164-L189 HydrophobicContact CG-CD1 4.08Å; P185-L189 WeakPolarHBondContact O-CG 3.45Å; F186-L189 PolarHBondContact O-N 2.65Å; L187-L189 PolarHBondContact O-N 3.39Å; L187-L189 VanDerWaalsContact O-N 3.17Å
190	V	91.2	Very high	94.4	Very high	17 Å²	17	49.6 Å²	49.6	10%	0.103	29%	0.288	C	S	.	.			trans	-73.4	123.6	-177.5	175.6	0	0	0	0	109.5	L161 F186 L187 Y192 V194	L161-V190 HydrophobicContact CD1-CB 4.46Å; L161-V190 HydrophobicContact CD1-CG2 3.95Å; F186-V190 HydrophobicContact CE2-CG2 4.22Å; L187-V190 HydrophobicContact CD2-CG2 4.31Å; L187-V190 WeakPolarHBondContact O-CB 3.39Å; L187-V190 PolarHBondContact O-N 3.23Å; L187-V190 VanDerWaalsContact O-N 3.08Å; V190-Y192 VanDerWaalsContact C-N 3.25Å; V190-Y192 HydrophobicContact CG1-CD1 3.56Å; V190-Y192 HydrophobicContact CG1-CD2 3.72Å; V190-Y192 HydrophobicContact CG1-CE1 3.32Å; V190-Y192 HydrophobicContact CG1-CE2 3.48Å; V190-Y192 VanDerWaalsContact CG1-CE2 3.48Å; V190-Y192 HydrophobicContact CG1-CG 3.75Å; V190-Y192 PolarHBondContact O-N 2.82Å; V190-V194 HydrophobicContact CB-CG2 3.73Å; V190-V194 HydrophobicContact CG1-CG1 4.03Å; V190-V194 HydrophobicContact CG1-CG2 3.74Å; V190-V194 HydrophobicContact CG2-CG2 4.31Å
191	P	84.3	Confident	94.3	Very high	110 Å²	110	49.4 Å²	49.4	71%	0.714	29%	0.288	S	S	*	.	S	Bend	trans	-80.2	-0.7	-170.8	32	-36.5	0	0	0	114.4
192	Y	82.4	Confident	94.2	Very high	73 Å²	73	53.3 Å²	53.3	29%	0.286	30%	0.302	S	S	.	.	S	Bend	trans	-117.8	160.3	179.4	53.7	-94.3	0	0	0	110.9	Y149 V190 V194	Y149-Y192 HydrophobicContact CE1-CE2 4.39Å; Y149-Y192 HydrophobicContact CE2-CE2 4.46Å; Y149-Y192 AromaticContact CZ-CE2 3.93Å; V190-Y192 VanDerWaalsContact C-N 3.25Å; V190-Y192 HydrophobicContact CG1-CD1 3.56Å; V190-Y192 HydrophobicContact CG1-CD2 3.72Å; V190-Y192 HydrophobicContact CG1-CE1 3.32Å; V190-Y192 HydrophobicContact CG1-CE2 3.48Å; V190-Y192 VanDerWaalsContact CG1-CE2 3.48Å; V190-Y192 HydrophobicContact CG1-CG 3.75Å; V190-Y192 PolarHBondContact O-N 2.82Å; Y192-V194 HydrophobicContact CD2-CG1 3.52Å; Y192-V194 HydrophobicContact CE2-CG1 3.32Å; Y192-V194 PolarHBondContact O-N 2.82Å
193	P	87.1	Confident	94.2	Very high	137 Å²	137	56.9 Å²	56.9	89%	0.89	33%	0.326	S	S	*	.	S	Bend	trans	-63	104	-173.3	-20.8	32.8	0	0	0	112.1
194	V	88.9	Confident	94.1	Very high	39 Å²	39	54.1 Å²	54.1	24%	0.236	31%	0.306	C	S	.	.			trans	-131.7	147.7	171.6	-63.3	0	0	0	0	109.5	V190 Y192 T196	V190-V194 HydrophobicContact CB-CG2 3.73Å; V190-V194 HydrophobicContact CG1-CG1 4.03Å; V190-V194 HydrophobicContact CG1-CG2 3.74Å; V190-V194 HydrophobicContact CG2-CG2 4.31Å; Y192-V194 HydrophobicContact CD2-CG1 3.52Å; Y192-V194 HydrophobicContact CE2-CG1 3.32Å; Y192-V194 PolarHBondContact O-N 2.82Å; V194-T196 PolarHBondContact O-N 2.8Å; V194-T196 VanDerWaalsContact O-N 3.16Å
195	S	90.6	Very high	93.9	Very high	78 Å²	78	57.8 Å²	57.8	55%	0.545	33%	0.326	S	S	.	.			trans	-64.7	117.6	167.1	-179.4	0	0	0	0	108.7	L187 R197	L187-S195 WeakPolarHBondContact CD1-O 3.3Å; S195-R197 VanDerWaalsContact C-N 3.3Å; S195-R197 PolarHBondContact OG-O 3.06Å; S195-R197 VanDerWaalsContact OG-O 3.08Å
196	T	95.6	Very high	93.7	Very high	55 Å²	55	63.2 Å²	63.2	34%	0.337	35%	0.352	S	S	.	.			trans	-80.6	-17.1	177.4	59.4	0	0	0	0	112.3	D184 V194	D184-T196 PolarHBondContact N-O 2.79Å; V194-T196 PolarHBondContact O-N 2.8Å; V194-T196 VanDerWaalsContact O-N 3.16Å
197	R	96.9	Very high	93.8	Very high	112 Å²	112	65.2 Å²	65.2	42%	0.423	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	128	179.7	-164.9	160.2	-174.1	-174.3	3	110.5	G181 Y182 S195 Y202	G181-R197 PolarHBondContact O-NE 2.8Å; G181-R197 PolarHBondContact O-NH2 3.38Å; G181-R197 VanDerWaalsContact O-NH2 3.14Å; Y182-R197 VanDerWaalsContact O-CA 3.32Å; Y182-R197 WeakPolarHBondContact O-CA 3.05Å; S195-R197 VanDerWaalsContact C-N 3.3Å; S195-R197 PolarHBondContact OG-O 3.06Å; S195-R197 VanDerWaalsContact OG-O 3.08Å; R197-Y202 HydrophobicContact CB-CD1 4.27Å; R197-Y202 HydrophobicContact CB-CE1 3.63Å; R197-Y202 HydrophobicContact CG-CD1 4.07Å; R197-Y202 HydrophobicContact CG-CD2 4.22Å; R197-Y202 HydrophobicContact CG-CE1 3.73Å; R197-Y202 HydrophobicContact CG-CE2 3.91Å; R197-Y202 HydrophobicContact CG-CG 4.3Å
198	V	97.4	Very high	93.8	Very high	25 Å²	25	66.3 Å²	66.3	15%	0.152	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	144.5	-177.4	-60.5	0	0	0	0	110	G181 Y182 D184 L187	G181-V198 CarbonylContact C-O 3.59Å; G181-V198 WeakPolarHBondContact CA-O 3.48Å; Y182-V198 HydrophobicContact CD1-CG2 4.37Å; Y182-V198 WeakPolarHBondContact CD1-O 3.17Å; Y182-V198 HydrophobicContact CD2-CG2 4.18Å; Y182-V198 HydrophobicContact CE1-CG2 3.75Å; Y182-V198 HydrophobicContact CE2-CG2 3.52Å; Y182-V198 PolarHBondContact N-O 3.25Å; Y182-V198 PolarHBondContact O-N 2.79Å; Y182-V198 VanDerWaalsContact OH-CG2 3.23Å; Y182-V198 WeakPolarHBondContact OH-CG2 3.47Å; D184-V198 HydrophobicContact CB-CG2 4.02Å; L187-V198 HydrophobicContact CD1-CG1 3.48Å; L187-V198 VanDerWaalsContact CD1-CG1 3.48Å
199	G	97.6	Very high	93.9	Very high	18 Å²	18	64.8 Å²	64.8	19%	0.186	36%	0.363	C	S	.	.			trans	-175.9	157	178.1	0	0	0	0	0	109.8	F201 Y202	G199-F201 VanDerWaalsContact C-N 3.29Å; G199-F201 PolarHBondContact O-N 2.99Å; G199-Y202 PolarHBondContact O-N 2.87Å
200	M	97.3	Very high	93.9	Very high	37 Å²	37	62.3 Å²	62.3	18%	0.182	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-35.4	-174.5	-64.2	-61.4	-80.8	0	0	112.4	L140 L178 V389 I413 L414	L140-M200 HydrophobicContact CD1-CG 4.42Å; L140-M200 HydrophobicContact CD1-SD 3.9Å; L140-M200 HydrophobicContact CD2-SD 4.03Å; L178-M200 HydrophobicContact CD1-CG 3.96Å; L178-M200 HydrophobicContact CG-CG 4.23Å; L178-M200 WeakPolarHBondContact O-CG 3.49Å; L178-M200 PolarHBondContact O-N 2.74Å; M200-V389 HydrophobicContact CE-CB 3.54Å; M200-V389 HydrophobicContact CE-CG1 3.28Å; M200-V389 HydrophobicContact CE-CG2 4.44Å; M200-I413 HydrophobicContact CE-CB 3.58Å; M200-I413 HydrophobicContact CE-CG1 3.95Å; M200-I413 HydrophobicContact CE-CG2 3.61Å; M200-I413 HydrophobicContact CG-CG2 4.34Å; M200-I413 HydrophobicContact SD-CB 4.42Å; M200-I413 HydrophobicContact SD-CG2 3.91Å; M200-L414 HydrophobicContact CB-CD2 4.18Å; M200-L414 HydrophobicContact CE-CD2 4.27Å; M200-L414 HydrophobicContact CE-CG 4.2Å; M200-L414 HydrophobicContact CG-CD2 3.92Å
201	F	97.4	Very high	94.3	Very high	38 Å²	38	64.9 Å²	64.9	17%	0.167	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	24.3	177.5	-56.6	-82.6	0	0	0	111.3	F65 L179 W180 G199 P203 Y204 L414 L416	F65-F201 HydrophobicContact CD1-CE2 4.19Å; F65-F201 HydrophobicContact CD1-CZ 4.49Å; F65-F201 HydrophobicContact CE1-CD2 4.24Å; F65-F201 HydrophobicContact CE1-CE1 4.49Å; F65-F201 AromaticContact CE1-CE2 3.35Å; F65-F201 HydrophobicContact CE1-CE2 3.35Å; F65-F201 AromaticContact CE1-CZ 3.52Å; F65-F201 HydrophobicContact CE1-CZ 3.52Å; F65-F201 HydrophobicContact CZ-CD2 4.26Å; F65-F201 AromaticContact CZ-CE2 3.81Å; F65-F201 HydrophobicContact CZ-CE2 3.81Å; F65-F201 HydrophobicContact CZ-CZ 4.15Å; L179-F201 HydrophobicContact CB-CD2 4.43Å; L179-F201 HydrophobicContact CD2-CD2 3.91Å; L179-F201 HydrophobicContact CD2-CE2 3.79Å; L179-F201 WeakPolarHBondContact O-CA 3.34Å; L179-F201 PolarHBondContact O-N 3.07Å; W180-F201 HydrophobicContact CE3-CB 4.1Å; W180-F201 HydrophobicContact CZ3-CB 3.82Å; W180-F201 HydrophobicContact CZ3-CG 4.38Å; G199-F201 VanDerWaalsContact C-N 3.29Å; G199-F201 PolarHBondContact O-N 2.99Å; F201-P203 CarbonylContact O-C 3.58Å; F201-Y204 HydrophobicContact CB-CD2 4.38Å; F201-Y204 VanDerWaalsContact O-CB 3.27Å; F201-Y204 WeakPolarHBondContact O-CB 3.33Å; F201-Y204 PolarHBondContact O-N 2.91Å; F201-L414 HydrophobicContact CE2-CD1 4.28Å; F201-L414 HydrophobicContact CE2-CD2 4.23Å; F201-L414 HydrophobicContact CZ-CD1 4.27Å; F201-L416 HydrophobicContact CE1-CD2 4.15Å; F201-L416 HydrophobicContact CZ-CD2 3.71Å
202	Y	96.6	Very high	94.9	Very high	89 Å²	89	60.4 Å²	60.4	35%	0.349	34%	0.338	S	S	.	.			trans	-86.7	131.3	178.9	175.1	-102	0	0	0	111.6	W180 R197 G199	W180-Y202 VanDerWaalsContact O-CD2 3.28Å; W180-Y202 WeakPolarHBondContact O-CD2 3.46Å; R197-Y202 HydrophobicContact CB-CD1 4.27Å; R197-Y202 HydrophobicContact CB-CE1 3.63Å; R197-Y202 HydrophobicContact CG-CD1 4.07Å; R197-Y202 HydrophobicContact CG-CD2 4.22Å; R197-Y202 HydrophobicContact CG-CE1 3.73Å; R197-Y202 HydrophobicContact CG-CE2 3.91Å; R197-Y202 HydrophobicContact CG-CG 4.3Å; G199-Y202 PolarHBondContact O-N 2.87Å
203	P	96.6	Very high	95.7	Very high	85 Å²	85	58.7 Å²	58.7	55%	0.552	33%	0.332	S	S	*	.	S	Bend	cis	-76.2	157.4	-15.1	32.8	-35.2	0	0	0	112.6	F201 T207	F201-P203 CarbonylContact O-C 3.58Å; P203-T207 HydrophobicContact CB-CG2 3.84Å; P203-T207 HydrophobicContact CG-CG2 3.95Å
204	Y	96.6	Very high	96.3	Very high	24 Å²	24	52.4 Å²	52.4	9%	0.094	29%	0.291	C	S	.	.			trans	-129.9	-72	175.4	-163.3	-107.8	0	0	0	112.4	R63 N118 A120 W180 F201 T207	R63-Y204 PolarHBondContact NH1-OH 3.31Å; R63-Y204 PolarHBondContact NH2-OH 2.91Å; R63-Y204 VanDerWaalsContact NH2-OH 3.12Å; N118-Y204 HydrophobicContact CB-CD1 4.28Å; N118-Y204 HydrophobicContact CB-CD2 4.18Å; N118-Y204 HydrophobicContact CB-CE1 4.12Å; N118-Y204 HydrophobicContact CB-CE2 4.02Å; N118-Y204 HydrophobicContact CB-CG 4.3Å; N118-Y204 VanDerWaalsContact CB-O 3.32Å; N118-Y204 WeakPolarHBondContact CB-O 3.26Å; A120-Y204 HydrophobicContact CB-CD1 4Å; A120-Y204 HydrophobicContact CB-CE1 3.8Å; W180-Y204 HydrophobicContact CE3-CG 4.4Å; W180-Y204 HydrophobicContact CH2-CD1 4.31Å; W180-Y204 AromaticContact CZ3-CD1 3.73Å; W180-Y204 HydrophobicContact CZ3-CD1 3.73Å; W180-Y204 HydrophobicContact CZ3-CE1 4.44Å; W180-Y204 AromaticContact CZ3-CG 3.77Å; W180-Y204 HydrophobicContact CZ3-CG 3.77Å; F201-Y204 HydrophobicContact CB-CD2 4.38Å; F201-Y204 VanDerWaalsContact O-CB 3.27Å; F201-Y204 WeakPolarHBondContact O-CB 3.33Å; F201-Y204 PolarHBondContact O-N 2.91Å; Y204-T207 WeakPolarHBondContact O-CB 3.36Å; Y204-T207 WeakPolarHBondContact O-CG2 3.39Å; Y204-T207 PolarHBondContact O-N 3.38Å; Y204-T207 PolarHBondContact O-OG1 3.35Å
205	N	94.1	Very high	96.7	Very high	78 Å²	78	52.3 Å²	52.3	42%	0.417	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	143.6	179.7	-73.3	0.8	0	0	0	110.8	G119 A120 T207	G119-N205 WeakPolarHBondContact CA-OD1 3.35Å; A120-N205 PolarHBondContact N-OD1 3.02Å; N205-T207 PolarHBondContact O-N 3.49Å
206	N	94.4	Very high	97	Very high	169 Å²	169	48.9 Å²	48.9	90%	0.904	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.9	20.9	-176.4	-44	-53.8	0	0	0	114.3
207	T	97	Very high	97.1	Very high	42 Å²	42	46.4 Å²	46.4	26%	0.258	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	165	168.9	73	0	0	0	0	109.7	N118 P203 Y204 N205	N118-T207 PolarHBondContact N-O 2.8Å; N118-T207 PolarHBondContact ND2-OG1 3.26Å; P203-T207 HydrophobicContact CB-CG2 3.84Å; P203-T207 HydrophobicContact CG-CG2 3.95Å; Y204-T207 WeakPolarHBondContact O-CB 3.36Å; Y204-T207 WeakPolarHBondContact O-CG2 3.39Å; Y204-T207 PolarHBondContact O-N 3.38Å; Y204-T207 PolarHBondContact O-OG1 3.35Å; N205-T207 PolarHBondContact O-N 3.49Å
208	A	97.3	Very high	97	Very high	42 Å²	42	47.2 Å²	47.2	35%	0.347	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	141.9	170.6	0	0	0	0	0	110.5	L115 Q116 P117	L115-A208 HydrophobicContact CB-CB 4.02Å; L115-A208 HydrophobicContact CD2-CB 4.31Å; Q116-A208 CarbonylContact O-C 3.59Å; Q116-A208 WeakPolarHBondContact O-CA 3.22Å; P117-A208 HydrophobicContact CB-CB 4.46Å
209	D	97.6	Very high	96.8	Very high	28 Å²	28	49.5 Å²	49.5	15%	0.15	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	138	173.6	-171	27.2	0	0	0	110.8	Q116 Y212 Y230 S269	Q116-D209 PolarHBondContact N-O 3.37Å; Q116-D209 PolarHBondContact O-N 2.94Å; D209-Y212 HydrophobicContact CB-CE2 4.24Å; D209-Y212 WeakPolarHBondContact OD2-CE2 3.4Å; D209-Y212 PolarHBondContact OD2-OH 3.29Å; D209-Y230 VanDerWaalsContact OD1-CE2 3.3Å; D209-Y230 WeakPolarHBondContact OD1-CE2 3.38Å; D209-Y230 PolarHBondContact OD1-OH 2.77Å; D209-S269 VanDerWaalsContact OD2-CB 3.24Å; D209-S269 WeakPolarHBondContact OD2-CB 3.43Å; D209-S269 PolarHBondContact OD2-OG 3.23Å
210	G	95.7	Very high	96.7	Very high	13 Å²	13	50.4 Å²	50.4	13%	0.134	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	128	-161.8	-176.3	0	0	0	0	0	112.9	K231	G210-K231 WeakPolarHBondContact O-CE 3.12Å; G210-K231 VanDerWaalsContact O-CG 3.28Å; G210-K231 WeakPolarHBondContact O-CG 3.32Å
211	V	98.2	Very high	96.6	Very high	71 Å²	71	50 Å²	50	43%	0.43	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-69.2	134.8	6.5	-176.9	0	0	0	0	112	L115 K231	L115-V211 HydrophobicContact CD2-CB 4.48Å; L115-V211 HydrophobicContact CD2-CG2 3.88Å; L115-V211 HydrophobicContact CG-CG2 4.18Å; V211-K231 PolarHBondContact O-N 2.86Å
212	Y	98.7	Very high	96.5	Very high	15 Å²	15	51.7 Å²	51.7	6%	0.059	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	134.6	167.1	-73.9	-95.1	0	0	0	109.1	S113 F114 D209 I227 Y230 F267 S269	S113-Y212 CarbonylContact C-O 3.44Å; S113-Y212 WeakPolarHBondContact CA-O 3.16Å; F114-Y212 HydrophobicContact CE1-CG 4.09Å; F114-Y212 HydrophobicContact CE2-CD2 4.05Å; F114-Y212 HydrophobicContact CE2-CG 4.22Å; F114-Y212 HydrophobicContact CZ-CD1 4.41Å; F114-Y212 HydrophobicContact CZ-CD2 4.06Å; F114-Y212 AromaticContact CZ-CG 3.77Å; F114-Y212 HydrophobicContact CZ-CG 3.77Å; F114-Y212 PolarHBondContact N-O 2.83Å; F114-Y212 PolarHBondContact O-N 3.23Å; D209-Y212 HydrophobicContact CB-CE2 4.24Å; D209-Y212 WeakPolarHBondContact OD2-CE2 3.4Å; D209-Y212 PolarHBondContact OD2-OH 3.29Å; Y212-I227 HydrophobicContact CD1-CD1 4.17Å; Y212-I227 HydrophobicContact CD1-CG1 4.33Å; Y212-I227 HydrophobicContact CE1-CD1 4.13Å; Y212-Y230 AromaticContact CD1-CD2 3.87Å; Y212-Y230 HydrophobicContact CD1-CD2 3.87Å; Y212-Y230 HydrophobicContact CD2-CD2 4.12Å; Y212-Y230 HydrophobicContact CD2-CE2 4.27Å; Y212-Y230 AromaticContact CE1-CD2 3.57Å; Y212-Y230 HydrophobicContact CE1-CD2 3.57Å; Y212-Y230 HydrophobicContact CE1-CE2 4.05Å; Y212-Y230 HydrophobicContact CE1-CG 4.47Å; Y212-Y230 AromaticContact CE2-CD2 3.82Å; Y212-Y230 HydrophobicContact CE2-CD2 3.82Å; Y212-Y230 AromaticContact CE2-CE2 3.64Å; Y212-Y230 HydrophobicContact CE2-CE2 3.64Å; Y212-Y230 HydrophobicContact CG-CD2 4.13Å; Y212-Y230 AromaticContact CZ-CD2 3.53Å; Y212-Y230 AromaticContact CZ-CE2 3.49Å; Y212-Y230 VanDerWaalsContact CZ-CE2 3.49Å; Y212-F267 HydrophobicContact CE1-CD1 4.07Å; Y212-F267 HydrophobicContact CE1-CE1 4.16Å; Y212-S269 WeakPolarHBondContact OH-CB 3.31Å; Y212-S269 PolarHBondContact OH-OG 3.23Å
213	K	98.6	Very high	96.6	Very high	38 Å²	38	51.2 Å²	51.2	17%	0.165	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	116.1	166.2	-174.8	178.6	-178.4	-170.9	0	107.3	D109 T111 D228 T229	D109-K213 IonicContact OD2-NZ 2.78Å; D109-K213 PolarHBondContact OD2-NZ 2.68Å; T111-K213 HydrophobicContact CG2-CG 4.24Å; T111-K213 WeakPolarHBondContact OG1-CE 3.3Å; K213-D228 HydrophobicContact CG-CB 4.47Å; K213-D228 IonicContact NZ-OD2 2.76Å; K213-D228 WeakPolarHBondContact O-CB 3.35Å; K213-D228 PolarHBondContact O-N 3.31Å; K213-T229 WeakPolarHBondContact CB-OG1 3.19Å; K213-T229 PolarHBondContact N-O 2.56Å; K213-T229 PolarHBondContact O-N 2.98Å; K213-T229 VanDerWaalsContact O-N 3.12Å
214	V	98.6	Very high	96.6	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.024	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	149.9	-177.4	-57.1	0	0	0	0	110.5	L44 W54 T111 V112 F114 I226 I227	L44-V214 HydrophobicContact CD1-CG2 4.02Å; W54-V214 HydrophobicContact CZ2-CG2 4.14Å; T111-V214 CarbonylContact C-O 3.57Å; T111-V214 WeakPolarHBondContact CA-O 3.45Å; T111-V214 VanDerWaalsContact CB-O 3.24Å; T111-V214 WeakPolarHBondContact CB-O 3.47Å; V112-V214 HydrophobicContact CG1-CG2 3.49Å; V112-V214 VanDerWaalsContact CG1-CG2 3.49Å; V112-V214 PolarHBondContact N-O 2.88Å; V112-V214 PolarHBondContact O-N 2.88Å; F114-V214 HydrophobicContact CE1-CG1 3.97Å; F114-V214 HydrophobicContact CE1-CG2 4.3Å; V214-I226 CarbonylContact C-O 3.46Å; V214-I226 VanDerWaalsContact CA-O 3.28Å; V214-I226 WeakPolarHBondContact CA-O 3.46Å; V214-I226 WeakPolarHBondContact CB-O 3.43Å; V214-I227 HydrophobicContact CG1-CB 4.44Å; V214-I227 HydrophobicContact CG1-CG1 3.88Å
215	F	98.6	Very high	96.7	Very high	38 Å²	38	46.4 Å²	46.4	17%	0.167	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	135	172.8	-64	-75.8	0	0	0	110.4	T111 K223 A225 I226 D228	T111-F215 HydrophobicContact CG2-CD1 3.74Å; T111-F215 HydrophobicContact CG2-CE1 4.04Å; T111-F215 HydrophobicContact CG2-CG 4.41Å; F215-K223 HydrophobicContact CB-CB 3.89Å; F215-K223 WeakPolarHBondContact CB-O 3.15Å; F215-K223 HydrophobicContact CD1-CD 4.42Å; F215-K223 HydrophobicContact CD2-CB 4.28Å; F215-K223 HydrophobicContact CG-CB 4.09Å; F215-K223 HydrophobicContact CG-CD 4.38Å; F215-A225 PolarHBondContact O-N 2.95Å; F215-I226 HydrophobicContact CD2-CB 4.25Å; F215-I226 HydrophobicContact CD2-CG2 4.46Å; F215-I226 WeakPolarHBondContact CD2-O 3.4Å; F215-I226 PolarHBondContact N-O 2.61Å; F215-D228 HydrophobicContact CD2-CB 4.27Å; F215-D228 HydrophobicContact CE1-CB 4.31Å; F215-D228 HydrophobicContact CE2-CB 3.71Å; F215-D228 HydrophobicContact CZ-CB 3.73Å
216	N	97.3	Very high	96.9	Very high	5 Å²	5	45 Å²	45	3%	0.027	25%	0.248	C	C	.	.			trans	-84.9	-11.2	-178.1	68.8	17	0	0	0	113.2	V43 L44 Q105 N110 V112 K218 V224	V43-N216 VanDerWaalsContact CG1-O 3.3Å; V43-N216 WeakPolarHBondContact CG1-O 3.1Å; L44-N216 HydrophobicContact CB-CB 4.09Å; L44-N216 PolarHBondContact N-O 2.92Å; Q105-N216 PolarHBondContact OE1-ND2 3.09Å; N110-N216 VanDerWaalsContact C-CG 3.47Å; N110-N216 VanDerWaalsContact O-CG 3.22Å; N110-N216 PolarHBondContact O-N 2.87Å; N110-N216 PolarHBondContact O-OD1 3.05Å; N110-N216 VanDerWaalsContact O-OD1 3.05Å; V112-N216 HydrophobicContact CG1-CB 4.38Å; N216-K218 WeakPolarHBondContact OD1-CB 3.39Å; N216-K218 PolarHBondContact OD1-N 2.76Å; N216-V224 WeakPolarHBondContact O-CG2 3.47Å
217	G	96.8	Very high	97.1	Very high	4 Å²	4	37.3 Å²	37.3	4%	0.041	21%	0.207	C	C	.	.	S	Bend	trans	85.9	5.7	176.8	0	0	0	0	0	115.3	S220 I221	G217-S220 CarbonylContact O-C 3.53Å; G217-I221 PolarHBondContact O-N 3.27Å
218	K	93.9	Very high	97.2	Very high	129 Å²	129	36 Å²	36	56%	0.561	20%	0.199	S	C	*	.	S	Bend	trans	-72	-37	-178	-168	171.2	-168.3	141.8	0	113.3	V43 E45 N110 N216	V43-K218 HydrophobicContact CG1-CB 4.3Å; E45-K218 IonicContact OE2-NZ 3.95Å; E45-K218 PolarHBondContact OE2-NZ 3.41Å; N110-K218 HydrophobicContact CB-CB 4.5Å; N216-K218 WeakPolarHBondContact OD1-CB 3.39Å; N216-K218 PolarHBondContact OD1-N 2.76Å
219	D	93.4	Very high	97.2	Very high	73 Å²	73	35.1 Å²	35.1	39%	0.39	19%	0.189	S	C	.	.	S	Bend	trans	-74.6	-47.7	172.2	68	-45.4	0	0	0	110.9	N110 K223	N110-D219 HydrophobicContact CB-CB 4.23Å; D219-K223 IonicContact OD2-NZ 2.86Å; D219-K223 PolarHBondContact OD2-NZ 2.56Å
220	S	95.1	Very high	97.3	Very high	37 Å²	37	34.8 Å²	34.8	26%	0.259	19%	0.186	S	C	.	.			trans	-149.2	113	-173.4	-169.5	0	0	0	0	109.9	G217 S222 K223	G217-S220 CarbonylContact O-C 3.53Å; S220-S222 PolarHBondContact O-N 2.82Å; S220-S222 VanDerWaalsContact O-N 3.15Å; S220-S222 PolarHBondContact OG-OG 3.24Å; S220-K223 WeakPolarHBondContact O-CB 3.42Å; S220-K223 PolarHBondContact O-N 2.94Å
221	I	95.6	Very high	97.4	Very high	29 Å²	29	39.6 Å²	39.6	15%	0.149	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-63.8	-23.1	-177.2	-154.3	62.4	0	0	0	112.9	K39 V42 V43 G217 K223 V224 P256	K39-I221 HydrophobicContact CB-CG1 4.39Å; K39-I221 HydrophobicContact CD-CG2 4.24Å; K39-I221 HydrophobicContact CG-CB 4.39Å; K39-I221 HydrophobicContact CG-CG1 4.26Å; K39-I221 HydrophobicContact CG-CG2 4.01Å; K39-I221 WeakPolarHBondContact O-CD1 3.16Å; V42-I221 HydrophobicContact CG2-CD1 3.52Å; V42-I221 HydrophobicContact CG2-CG1 3.72Å; V43-I221 HydrophobicContact CG2-CD1 3.81Å; G217-I221 PolarHBondContact O-N 3.27Å; I221-K223 PolarHBondContact O-N 3.44Å; I221-V224 HydrophobicContact CD1-CB 4.4Å; I221-V224 VanDerWaalsContact O-CG1 3.25Å; I221-V224 WeakPolarHBondContact O-CG1 3.46Å; I221-V224 PolarHBondContact O-N 2.97Å; I221-P256 HydrophobicContact CG1-CG 3.65Å; I221-P256 HydrophobicContact CG2-CG 4.26Å
222	S	96.3	Very high	97.4	Very high	73 Å²	73	39.3 Å²	39.3	51%	0.51	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-68.5	-10.6	175.4	57.5	0	0	0	0	113.1	S220 P255	S220-S222 PolarHBondContact O-N 2.82Å; S220-S222 VanDerWaalsContact O-N 3.15Å; S220-S222 PolarHBondContact OG-OG 3.24Å; S222-P255 WeakPolarHBondContact O-CB 3.42Å; S222-P255 WeakPolarHBondContact O-CG 3.13Å
223	K	97.3	Very high	97.3	Very high	79 Å²	79	44.1 Å²	44.1	34%	0.343	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-100.5	-9.3	176	-60.1	-178.3	-169.5	162.7	0	113.9	F215 D219 S220 I221 A225 I226	F215-K223 HydrophobicContact CB-CB 3.89Å; F215-K223 WeakPolarHBondContact CB-O 3.15Å; F215-K223 HydrophobicContact CD1-CD 4.42Å; F215-K223 HydrophobicContact CD2-CB 4.28Å; F215-K223 HydrophobicContact CG-CB 4.09Å; F215-K223 HydrophobicContact CG-CD 4.38Å; D219-K223 IonicContact OD2-NZ 2.86Å; D219-K223 PolarHBondContact OD2-NZ 2.56Å; S220-K223 WeakPolarHBondContact O-CB 3.42Å; S220-K223 PolarHBondContact O-N 2.94Å; I221-K223 PolarHBondContact O-N 3.44Å; K223-A225 PolarHBondContact O-N 3.16Å; K223-I226 VanDerWaalsContact O-CB 3.25Å; K223-I226 WeakPolarHBondContact O-CB 3.24Å; K223-I226 WeakPolarHBondContact O-CG1 3.48Å; K223-I226 PolarHBondContact O-N 2.83Å
224	V	98	Very high	97.3	Very high	6 Å²	6	49.8 Å²	49.8	4%	0.036	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	134.9	-171.5	69.7	0	0	0	0	111.7	V42 L44 N216 I221 I226 P255	V42-V224 WeakPolarHBondContact O-CG2 3.02Å; L44-V224 HydrophobicContact CD1-CG2 4.35Å; L44-V224 HydrophobicContact CG-CG2 3.86Å; N216-V224 WeakPolarHBondContact O-CG2 3.47Å; I221-V224 HydrophobicContact CD1-CB 4.4Å; I221-V224 VanDerWaalsContact O-CG1 3.25Å; I221-V224 WeakPolarHBondContact O-CG1 3.46Å; I221-V224 PolarHBondContact O-N 2.97Å; V224-I226 PolarHBondContact O-N 3.41Å; V224-P255 HydrophobicContact CG1-CB 4.4Å
225	A	98.1	Very high	97.2	Very high	2 Å²	2	53.4 Å²	53.4	2%	0.017	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	-2.5	-176.6	0	0	0	0	0	116.5	L44 F215 K223 I227 T249	L44-A225 HydrophobicContact CD1-CB 4.1Å; F215-A225 PolarHBondContact O-N 2.95Å; K223-A225 PolarHBondContact O-N 3.16Å; A225-I227 PolarHBondContact O-N 2.81Å; A225-T249 HydrophobicContact CB-CG2 4.16Å; A225-T249 WeakPolarHBondContact O-CA 3.29Å; A225-T249 WeakPolarHBondContact O-CB 3.36Å
226	I	98.6	Very high	97.1	Very high	48 Å²	48	52.1 Å²	52.1	25%	0.246	27%	0.27	C	S	.	.			trans	-65.4	135.5	172	-61.1	-176.9	0	0	0	108.6	V214 F215 K223 V224 D228 G248 T249 P255	V214-I226 CarbonylContact C-O 3.46Å; V214-I226 VanDerWaalsContact CA-O 3.28Å; V214-I226 WeakPolarHBondContact CA-O 3.46Å; V214-I226 WeakPolarHBondContact CB-O 3.43Å; F215-I226 HydrophobicContact CD2-CB 4.25Å; F215-I226 HydrophobicContact CD2-CG2 4.46Å; F215-I226 WeakPolarHBondContact CD2-O 3.4Å; F215-I226 PolarHBondContact N-O 2.61Å; K223-I226 VanDerWaalsContact O-CB 3.25Å; K223-I226 WeakPolarHBondContact O-CB 3.24Å; K223-I226 WeakPolarHBondContact O-CG1 3.48Å; K223-I226 PolarHBondContact O-N 2.83Å; V224-I226 PolarHBondContact O-N 3.41Å; I226-D228 PolarHBondContact O-N 3.29Å; I226-G248 WeakPolarHBondContact CA-O 3.35Å; I226-T249 HydrophobicContact CG1-CG2 3.94Å; I226-P255 HydrophobicContact CD1-CG 4.14Å; I226-P255 HydrophobicContact CG1-CG 4.25Å
227	I	98.8	Very high	97	Very high	7 Å²	7	54.8 Å²	54.8	4%	0.036	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	119.9	-178.6	-60.2	160.7	0	0	0	108.8	Y212 V214 A225 T229 I246 G248 F267	Y212-I227 HydrophobicContact CD1-CD1 4.17Å; Y212-I227 HydrophobicContact CD1-CG1 4.33Å; Y212-I227 HydrophobicContact CE1-CD1 4.13Å; V214-I227 HydrophobicContact CG1-CB 4.44Å; V214-I227 HydrophobicContact CG1-CG1 3.88Å; A225-I227 PolarHBondContact O-N 2.81Å; I227-T229 WeakPolarHBondContact CG2-O 3.05Å; I227-I246 HydrophobicContact CB-CG2 4.02Å; I227-I246 HydrophobicContact CD1-CG2 4.32Å; I227-I246 HydrophobicContact CG2-CG2 3.69Å; I227-G248 PolarHBondContact N-O 3.41Å; I227-F267 HydrophobicContact CD1-CB 3.72Å; I227-F267 HydrophobicContact CD1-CD1 3.95Å; I227-F267 HydrophobicContact CD1-CG 4.32Å
228	D	98.3	Very high	97	Very high	16 Å²	16	57.7 Å²	57.7	9%	0.086	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	-52.1	169.5	175.3	40.7	0	0	0	109.7	T111 K213 F215 I226 R234	T111-D228 HydrophobicContact CG2-CB 4.46Å; K213-D228 HydrophobicContact CG-CB 4.47Å; K213-D228 IonicContact NZ-OD2 2.76Å; K213-D228 WeakPolarHBondContact O-CB 3.35Å; K213-D228 PolarHBondContact O-N 3.31Å; F215-D228 HydrophobicContact CD2-CB 4.27Å; F215-D228 HydrophobicContact CE1-CB 4.31Å; F215-D228 HydrophobicContact CE2-CB 3.71Å; F215-D228 HydrophobicContact CZ-CB 3.73Å; I226-D228 PolarHBondContact O-N 3.29Å; D228-R234 WeakPolarHBondContact O-CG 3.47Å; D228-R234 IonicContact OD1-CZ 3.23Å; D228-R234 VanDerWaalsContact OD1-CZ 3.23Å; D228-R234 IonicContact OD1-NE 3.05Å; D228-R234 PolarHBondContact OD1-NE 3.44Å; D228-R234 IonicContact OD1-NH2 2.68Å; D228-R234 PolarHBondContact OD1-NH2 3.44Å
229	T	98.6	Very high	97.2	Very high	23 Å²	23	52.6 Å²	52.6	14%	0.141	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	150.1	175.1	63.4	0	0	0	0	112	K213 I227 K233 R234	K213-T229 WeakPolarHBondContact CB-OG1 3.19Å; K213-T229 PolarHBondContact N-O 2.56Å; K213-T229 PolarHBondContact O-N 2.98Å; K213-T229 VanDerWaalsContact O-N 3.12Å; I227-T229 WeakPolarHBondContact CG2-O 3.05Å; T229-K233 VanDerWaalsContact CA-O 3.31Å; T229-K233 WeakPolarHBondContact CA-O 3.34Å; T229-K233 WeakPolarHBondContact CB-O 3.49Å; T229-R234 HydrophobicContact CG2-CG 3.9Å
230	Y	98.6	Very high	97.3	Very high	20 Å²	20	56.5 Å²	56.5	8%	0.078	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	125.4	166.3	170.8	-105.1	0	0	0	108.1	D209 Y212 G232 K233 L236 F267	D209-Y230 VanDerWaalsContact OD1-CE2 3.3Å; D209-Y230 WeakPolarHBondContact OD1-CE2 3.38Å; D209-Y230 PolarHBondContact OD1-OH 2.77Å; Y212-Y230 AromaticContact CD1-CD2 3.87Å; Y212-Y230 HydrophobicContact CD1-CD2 3.87Å; Y212-Y230 HydrophobicContact CD2-CD2 4.12Å; Y212-Y230 HydrophobicContact CD2-CE2 4.27Å; Y212-Y230 AromaticContact CE1-CD2 3.57Å; Y212-Y230 HydrophobicContact CE1-CD2 3.57Å; Y212-Y230 HydrophobicContact CE1-CE2 4.05Å; Y212-Y230 HydrophobicContact CE1-CG 4.47Å; Y212-Y230 AromaticContact CE2-CD2 3.82Å; Y212-Y230 HydrophobicContact CE2-CD2 3.82Å; Y212-Y230 AromaticContact CE2-CE2 3.64Å; Y212-Y230 HydrophobicContact CE2-CE2 3.64Å; Y212-Y230 HydrophobicContact CG-CD2 4.13Å; Y212-Y230 AromaticContact CZ-CD2 3.53Å; Y212-Y230 AromaticContact CZ-CE2 3.49Å; Y212-Y230 VanDerWaalsContact CZ-CE2 3.49Å; Y230-G232 PolarHBondContact O-N 3.22Å; Y230-K233 PolarHBondContact N-O 2.87Å; Y230-K233 PolarHBondContact O-N 2.76Å; Y230-K233 VanDerWaalsContact O-N 3.1Å; Y230-L236 HydrophobicContact CD1-CD2 4.22Å; Y230-F267 HydrophobicContact CD1-CE1 4Å; Y230-F267 HydrophobicContact CD1-CZ 4.09Å; Y230-F267 HydrophobicContact CD2-CE1 4.09Å; Y230-F267 HydrophobicContact CE1-CE1 4.25Å; Y230-F267 HydrophobicContact CE1-CZ 4.17Å; Y230-F267 HydrophobicContact CE2-CE1 4.32Å; Y230-F267 AromaticContact CG-CE1 3.91Å; Y230-F267 HydrophobicContact CG-CE1 3.91Å; Y230-F267 HydrophobicContact CG-CZ 4.46Å
231	K	97.8	Very high	97.4	Very high	115 Å²	115	58.6 Å²	58.6	50%	0.5	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	39.1	-174.4	-65.3	176.7	173.4	165.9	0	112.8	G210 V211 K233	G210-K231 WeakPolarHBondContact O-CE 3.12Å; G210-K231 VanDerWaalsContact O-CG 3.28Å; G210-K231 WeakPolarHBondContact O-CG 3.32Å; V211-K231 PolarHBondContact O-N 2.86Å; K231-K233 VanDerWaalsContact C-N 3.25Å; K231-K233 PolarHBondContact O-N 2.86Å
232	G	97.8	Very high	97.4	Very high	64 Å²	64	61.4 Å²	61.4	66%	0.66	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	9.5	178.2	0	0	0	0	0	115.1	Y230	Y230-G232 PolarHBondContact O-N 3.22Å
233	K	97.8	Very high	97.5	Very high	116 Å²	116	58.2 Å²	58.2	50%	0.504	29%	0.294	S	S	.	.	B	Isolated β-bridge	trans	-123.7	150.5	178.3	-60.6	-176.2	-178.8	-179.2	0	111.5	T229 Y230 K231 N235 S237 I246	T229-K233 VanDerWaalsContact CA-O 3.31Å; T229-K233 WeakPolarHBondContact CA-O 3.34Å; T229-K233 WeakPolarHBondContact CB-O 3.49Å; Y230-K233 PolarHBondContact N-O 2.87Å; Y230-K233 PolarHBondContact O-N 2.76Å; Y230-K233 VanDerWaalsContact O-N 3.1Å; K231-K233 VanDerWaalsContact C-N 3.25Å; K231-K233 PolarHBondContact O-N 2.86Å; K233-N235 VanDerWaalsContact CB-O 3.27Å; K233-N235 WeakPolarHBondContact CB-O 3.46Å; K233-S237 PolarHBondContact NZ-OG 2.81Å; K233-I246 WeakPolarHBondContact O-CD1 3.45Å
234	R	97.3	Very high	97.5	Very high	158 Å²	158	55.1 Å²	55.1	60%	0.596	28%	0.281	S	S	*	.	S	Bend	trans	-89.6	-16.5	171	-62.7	-155.3	168.4	153.6	0.5	113.7	D228 T229 I246	D228-R234 WeakPolarHBondContact O-CG 3.47Å; D228-R234 IonicContact OD1-CZ 3.23Å; D228-R234 VanDerWaalsContact OD1-CZ 3.23Å; D228-R234 IonicContact OD1-NE 3.05Å; D228-R234 PolarHBondContact OD1-NE 3.44Å; D228-R234 IonicContact OD1-NH2 2.68Å; D228-R234 PolarHBondContact OD1-NH2 3.44Å; T229-R234 HydrophobicContact CG2-CG 3.9Å; R234-I246 WeakPolarHBondContact O-CB 3.42Å; R234-I246 WeakPolarHBondContact O-CG1 3.41Å; R234-I246 PolarHBondContact O-N 3.43Å
235	N	97.4	Very high	97.5	Very high	80 Å²	80	58.6 Å²	58.6	43%	0.428	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-124.2	148.8	177	-64.4	-6.7	0	0	0	109.7	K233 D244	K233-N235 VanDerWaalsContact CB-O 3.27Å; K233-N235 WeakPolarHBondContact CB-O 3.46Å; N235-D244 CarbonylContact C-O 3.37Å; N235-D244 WeakPolarHBondContact CA-O 3.33Å; N235-D244 HydrophobicContact CB-CB 4.44Å; N235-D244 WeakPolarHBondContact CB-OD2 3.35Å
236	L	96.1	Very high	97.5	Very high	10 Å²	10	59.2 Å²	59.2	5%	0.052	30%	0.3	C	S	.	.			trans	-79	-18.3	-170.4	-64.9	164.2	0	0	0	114	Y230 Y238 D244 I246 F267 C272	Y230-L236 HydrophobicContact CD1-CD2 4.22Å; L236-Y238 HydrophobicContact CB-CD2 3.58Å; L236-Y238 HydrophobicContact CB-CE2 4.05Å; L236-Y238 HydrophobicContact CB-CG 4.06Å; L236-Y238 HydrophobicContact CD1-CD2 4.38Å; L236-Y238 HydrophobicContact CD2-CD2 4.5Å; L236-Y238 HydrophobicContact CD2-CE2 4.34Å; L236-Y238 HydrophobicContact CG-CD2 4.37Å; L236-Y238 PolarHBondContact O-N 3.36Å; L236-D244 WeakPolarHBondContact CB-OD1 3.37Å; L236-D244 PolarHBondContact N-O 3.41Å; L236-D244 PolarHBondContact N-OD2 2.83Å; L236-I246 HydrophobicContact CD2-CD1 3.9Å; L236-I246 HydrophobicContact CD2-CG1 3.76Å; L236-I246 HydrophobicContact CG-CD1 4.24Å; L236-I246 HydrophobicContact CG-CG1 3.77Å; L236-F267 HydrophobicContact CD1-CD2 4.41Å; L236-F267 HydrophobicContact CD1-CE2 3.81Å; L236-F267 HydrophobicContact CD2-CD2 4.47Å; L236-F267 HydrophobicContact CD2-CE2 3.52Å; L236-F267 HydrophobicContact CD2-CZ 3.61Å; L236-F267 HydrophobicContact CG-CE2 4.26Å; L236-C272 WeakPolarHBondContact CD1-O 3.38Å
237	S	96.3	Very high	97.5	Very high	62 Å²	62	59 Å²	59	43%	0.434	30%	0.3	S	S	.	.	S	Bend	trans	58.5	24.7	-168.1	51.6	0	0	0	0	114.1	K233 D244 K332	K233-S237 PolarHBondContact NZ-OG 2.81Å; S237-D244 VanDerWaalsContact CA-OD2 3.26Å; S237-D244 WeakPolarHBondContact CA-OD2 3.17Å; S237-D244 VanDerWaalsContact N-CG 3.28Å; S237-D244 PolarHBondContact N-OD1 2.89Å; S237-D244 PolarHBondContact N-OD2 3.2Å; S237-K332 WeakPolarHBondContact O-CE 3.38Å; S237-K332 PolarHBondContact O-NZ 2.96Å
238	Y	96.6	Very high	97.5	Very high	64 Å²	64	59.1 Å²	59.1	25%	0.251	30%	0.303	S	S	.	.	S	Bend	trans	-103.9	-41.2	177.4	-59.2	-32.7	0	0	0	111.9	L236 D244 C272 K332 C333	L236-Y238 HydrophobicContact CB-CD2 3.58Å; L236-Y238 HydrophobicContact CB-CE2 4.05Å; L236-Y238 HydrophobicContact CB-CG 4.06Å; L236-Y238 HydrophobicContact CD1-CD2 4.38Å; L236-Y238 HydrophobicContact CD2-CD2 4.5Å; L236-Y238 HydrophobicContact CD2-CE2 4.34Å; L236-Y238 HydrophobicContact CG-CD2 4.37Å; L236-Y238 PolarHBondContact O-N 3.36Å; Y238-D244 PolarHBondContact N-OD1 2.89Å; Y238-C272 HydrophobicContact CD2-CB 3.98Å; Y238-C272 HydrophobicContact CE2-CB 4.18Å; Y238-K332 HydrophobicContact CD1-CG 4.21Å; Y238-K332 WeakPolarHBondContact O-CD 3.25Å; Y238-K332 WeakPolarHBondContact O-CE 3.32Å; Y238-K332 PolarHBondContact O-NZ 3.41Å; Y238-C333 HydrophobicContact CD1-CB 4.17Å; Y238-C333 HydrophobicContact CD2-CB 3.81Å; Y238-C333 HydrophobicContact CE1-CB 3.89Å; Y238-C333 HydrophobicContact CE2-CB 3.51Å; Y238-C333 HydrophobicContact CG-CB 4.16Å
239	W	97.8	Very high	97.5	Very high	22 Å²	22	58.4 Å²	58.4	8%	0.083	30%	0.299	C	S	.	.	S	Bend	trans	-108.9	168.5	-174.9	-47.4	100.9	0	0	0	111.3	C243 D244 C272 F312 T314 L328 D329 I330	W239-C243 HydrophobicContact CB-CB 3.65Å; W239-C243 HydrophobicContact CG-CB 4.24Å; W239-D244 HydrophobicContact CB-CB 4.04Å; W239-D244 PolarHBondContact N-OD1 3.14Å; W239-D244 WeakPolarHBondContact O-CB 3.34Å; W239-C272 PolarHBondContact NE1-O 2.86Å; W239-F312 AromaticContact CD1-CE1 3.91Å; W239-F312 AromaticContact CD2-CD1 3.51Å; W239-F312 HydrophobicContact CD2-CD1 3.51Å; W239-F312 AromaticContact CD2-CE1 3.76Å; W239-F312 HydrophobicContact CD2-CE1 3.76Å; W239-F312 AromaticContact CE2-CD1 3.75Å; W239-F312 AromaticContact CE2-CE1 3.83Å; W239-F312 HydrophobicContact CE3-CB 4.49Å; W239-F312 AromaticContact CE3-CD1 3.6Å; W239-F312 HydrophobicContact CE3-CD1 3.6Å; W239-F312 HydrophobicContact CE3-CE1 4.32Å; W239-F312 HydrophobicContact CE3-CG 4.48Å; W239-F312 AromaticContact CG-CD1 4Å; W239-F312 HydrophobicContact CG-CD1 4Å; W239-F312 AromaticContact CG-CE1 3.81Å; W239-F312 HydrophobicContact CG-CE1 3.81Å; W239-F312 HydrophobicContact CH2-CD1 4.1Å; W239-F312 HydrophobicContact CZ2-CD1 4.05Å; W239-F312 HydrophobicContact CZ2-CE1 4.43Å; W239-F312 HydrophobicContact CZ3-CB 4.36Å; W239-F312 AromaticContact CZ3-CD1 3.89Å; W239-F312 HydrophobicContact CZ3-CD1 3.89Å; W239-F312 AromaticContact NE1-CE1 3.92Å; W239-T314 HydrophobicContact CZ3-CG2 3.78Å; W239-L328 HydrophobicContact CH2-CD1 3.53Å; W239-L328 HydrophobicContact CH2-CD2 4.33Å; W239-L328 HydrophobicContact CH2-CG 3.88Å; W239-L328 HydrophobicContact CZ2-CD1 4.11Å; W239-L328 HydrophobicContact CZ2-CD2 4.23Å; W239-L328 HydrophobicContact CZ2-CG 4.28Å; W239-L328 HydrophobicContact CZ3-CD1 4.15Å; W239-D329 WeakPolarHBondContact CH2-O 3.02Å; W239-I330 HydrophobicContact CZ2-CG2 4.48Å
240	E	95.1	Very high	97.4	Very high	155 Å²	155	59.5 Å²	59.5	72%	0.724	30%	0.304	S	S	*	.	S	Bend	trans	-90.7	159.6	170.3	-64.4	-176.1	176.6	0	0	110.4	C243 C311	E240-C243 WeakPolarHBondContact O-CB 3.35Å; E240-C243 PolarHBondContact O-N 2.84Å; E240-C311 HydrophobicContact CB-CB 4.32Å; E240-C311 VanDerWaalsContact O-CB 3.24Å; E240-C311 WeakPolarHBondContact O-CB 3.48Å
241	S	96.4	Very high	97.4	Very high	81 Å²	81	59.3 Å²	59.3	57%	0.566	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	55.2	-147.7	172	-164.8	0	0	0	0	113.4	C243 D244	S241-C243 PolarHBondContact O-N 2.77Å; S241-D244 PolarHBondContact O-N 2.79Å
242	Y	96.7	Very high	97.3	Very high	89 Å²	89	56.4 Å²	56.4	35%	0.349	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-68.4	-14.7	-179	56.9	-100.1	0	0	0	113.9	D244 M245 D308 H310	Y242-D244 PolarHBondContact O-N 2.8Å; Y242-M245 WeakPolarHBondContact O-CB 3.23Å; Y242-M245 WeakPolarHBondContact O-CG 3.43Å; Y242-M245 PolarHBondContact O-N 2.99Å; Y242-D308 HydrophobicContact CE2-CB 4.43Å; Y242-D308 WeakPolarHBondContact CE2-O 3.39Å; Y242-D308 VanDerWaalsContact OH-C 3.26Å; Y242-D308 WeakPolarHBondContact OH-CA 3.47Å; Y242-D308 PolarHBondContact OH-O 3.08Å; Y242-H310 AromaticContact CE1-CE1 3.88Å; Y242-H310 AromaticContact CZ-CE1 3.74Å; Y242-H310 PolarHBondContact OH-CE1 2.85Å; Y242-H310 PolarHBondContact OH-ND1 2.75Å; Y242-H310 VanDerWaalsContact OH-ND1 3.15Å
243	C	97.6	Very high	97.2	Very high	5 Å²	5	54 Å²	54	3%	0.034	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-62.7	-21.4	174.9	-71.9	0	0	0	0	112.5	W239 E240 S241 C311 F312	W239-C243 HydrophobicContact CB-CB 3.65Å; W239-C243 HydrophobicContact CG-CB 4.24Å; E240-C243 WeakPolarHBondContact O-CB 3.35Å; E240-C243 PolarHBondContact O-N 2.84Å; S241-C243 PolarHBondContact O-N 2.77Å; C243-C311 HydrophobicContact CB-CB 3.65Å; C243-C311 WeakPolarHBondContact CB-SG 3.45Å; C243-C311 VanDerWaalsContact SG-CA 3.55Å; C243-C311 WeakPolarHBondContact SG-CB 3.26Å; C243-C311 CovalentContact SG-SG 2.02Å; C243-C311 PolarHBondContact SG-SG 2.97Å; C243-F312 HydrophobicContact CB-CD1 4.01Å; C243-F312 HydrophobicContact CB-CD2 4.14Å; C243-F312 HydrophobicContact CB-CE1 3.55Å; C243-F312 HydrophobicContact CB-CE2 3.68Å; C243-F312 HydrophobicContact CB-CG 4.28Å; C243-F312 HydrophobicContact CB-CZ 3.37Å; C243-F312 WeakPolarHBondContact O-CE1 3.5Å; C243-F312 WeakPolarHBondContact O-CZ 3.18Å; C243-F312 WeakPolarHBondContact SG-CD2 3.3Å; C243-F312 WeakPolarHBondContact SG-CE2 3.23Å
244	D	98.1	Very high	97.3	Very high	14 Å²	14	48.7 Å²	48.7	8%	0.075	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-86.1	-7.8	-177.2	-154.8	45	0	0	0	113.9	N235 L236 S237 Y238 W239 S241 Y242	N235-D244 CarbonylContact C-O 3.37Å; N235-D244 WeakPolarHBondContact CA-O 3.33Å; N235-D244 HydrophobicContact CB-CB 4.44Å; N235-D244 WeakPolarHBondContact CB-OD2 3.35Å; L236-D244 WeakPolarHBondContact CB-OD1 3.37Å; L236-D244 PolarHBondContact N-O 3.41Å; L236-D244 PolarHBondContact N-OD2 2.83Å; S237-D244 VanDerWaalsContact CA-OD2 3.26Å; S237-D244 WeakPolarHBondContact CA-OD2 3.17Å; S237-D244 VanDerWaalsContact N-CG 3.28Å; S237-D244 PolarHBondContact N-OD1 2.89Å; S237-D244 PolarHBondContact N-OD2 3.2Å; Y238-D244 PolarHBondContact N-OD1 2.89Å; W239-D244 HydrophobicContact CB-CB 4.04Å; W239-D244 PolarHBondContact N-OD1 3.14Å; W239-D244 WeakPolarHBondContact O-CB 3.34Å; S241-D244 PolarHBondContact O-N 2.79Å; Y242-D244 PolarHBondContact O-N 2.8Å
245	M	98.3	Very high	97.3	Very high	79 Å²	79	42 Å²	42	39%	0.389	23%	0.231	S	C	.	.	B	Isolated β-bridge	trans	-70.1	138.6	-176.2	-65.1	177.6	70.1	0	0	112	Y242 N247 S274	Y242-M245 WeakPolarHBondContact O-CB 3.23Å; Y242-M245 WeakPolarHBondContact O-CG 3.43Å; Y242-M245 PolarHBondContact O-N 2.99Å; M245-N247 PolarHBondContact O-N 3.21Å; M245-S274 PolarHBondContact O-OG 2.79Å
246	I	98.6	Very high	97.3	Very high	15 Å²	15	38.9 Å²	38.9	8%	0.077	22%	0.215	C	C	.	.			trans	-89.1	98.4	169.3	-60.9	159.9	0	0	0	107.7	I227 K233 R234 L236 F267	I227-I246 HydrophobicContact CB-CG2 4.02Å; I227-I246 HydrophobicContact CD1-CG2 4.32Å; I227-I246 HydrophobicContact CG2-CG2 3.69Å; K233-I246 WeakPolarHBondContact O-CD1 3.45Å; R234-I246 WeakPolarHBondContact O-CB 3.42Å; R234-I246 WeakPolarHBondContact O-CG1 3.41Å; R234-I246 PolarHBondContact O-N 3.43Å; L236-I246 HydrophobicContact CD2-CD1 3.9Å; L236-I246 HydrophobicContact CD2-CG1 3.76Å; L236-I246 HydrophobicContact CG-CD1 4.24Å; L236-I246 HydrophobicContact CG-CG1 3.77Å; I246-F267 HydrophobicContact CG2-CB 3.97Å; I246-F267 HydrophobicContact CG2-CD1 4.25Å; I246-F267 HydrophobicContact CG2-CD2 4.49Å; I246-F267 HydrophobicContact CG2-CG 3.98Å
247	N	98.3	Very high	97.2	Very high	43 Å²	43	41.5 Å²	41.5	23%	0.23	23%	0.226	C	C	.	.			trans	-105.9	142.2	-179.1	-66.3	-30.8	0	0	0	111.9	M245 Q265 F266 F267 S274	M245-N247 PolarHBondContact O-N 3.21Å; N247-Q265 HydrophobicContact CB-CB 4.23Å; N247-F266 CarbonylContact O-C 3.44Å; N247-F266 WeakPolarHBondContact O-CA 3.34Å; N247-F267 PolarHBondContact O-N 2.95Å; N247-S274 PolarHBondContact N-OG 3.43Å; N247-S274 PolarHBondContact O-OG 2.96Å
248	G	98.2	Very high	97.3	Very high	10 Å²	10	38.9 Å²	38.9	10%	0.103	21%	0.208	C	C	.	.	S	Bend	trans	80.4	-157.2	169.2	0	0	0	0	0	115	I226 I227 Q265	I226-G248 WeakPolarHBondContact CA-O 3.35Å; I227-G248 PolarHBondContact N-O 3.41Å; G248-Q265 VanDerWaalsContact CA-O 3.26Å; G248-Q265 WeakPolarHBondContact CA-O 3.3Å
249	T	98.4	Very high	97.4	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.006	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-95.7	-167.7	-177.7	72.2	0	0	0	0	111.5	A225 I226 A251 S253 F254 Q265 F266 F267	A225-T249 HydrophobicContact CB-CG2 4.16Å; A225-T249 WeakPolarHBondContact O-CA 3.29Å; A225-T249 WeakPolarHBondContact O-CB 3.36Å; I226-T249 HydrophobicContact CG1-CG2 3.94Å; T249-A251 VanDerWaalsContact C-N 3.28Å; T249-A251 PolarHBondContact OG1-N 3.13Å; T249-S253 WeakPolarHBondContact CB-O 3Å; T249-S253 VanDerWaalsContact CG2-O 3.27Å; T249-S253 WeakPolarHBondContact CG2-O 3.5Å; T249-S253 PolarHBondContact OG1-O 2.02Å; T249-F254 HydrophobicContact CG2-CD1 4.31Å; T249-Q265 PolarHBondContact N-O 2.8Å; T249-F266 CarbonylContact O-C 3.51Å; T249-F266 VanDerWaalsContact O-CA 3.27Å; T249-F266 WeakPolarHBondContact O-CA 3.07Å; T249-F266 VanDerWaalsContact O-CB 3.3Å; T249-F266 WeakPolarHBondContact O-CB 3.28Å; T249-F267 PolarHBondContact O-N 2.64Å
250	D	97	Very high	97.4	Very high	47 Å²	47	44.6 Å²	44.6	25%	0.251	24%	0.236	S	C	.	.			trans	-88.3	9.5	168.6	68.7	-5.1	0	0	0	113.4	A252	D250-A252 PolarHBondContact O-N 3.34Å; D250-A252 VanDerWaalsContact OD1-CB 3.3Å; D250-A252 WeakPolarHBondContact OD1-CB 3Å; D250-A252 PolarHBondContact OD1-N 3.23Å
251	A	97.7	Very high	97.5	Very high	15 Å²	15	41.6 Å²	41.6	12%	0.124	23%	0.233	C	C	.	.	S	Bend	trans	65.8	1.7	-174.2	0	0	0	0	0	116.8	T249 S253 F254 F266 L371 T380	T249-A251 VanDerWaalsContact C-N 3.28Å; T249-A251 PolarHBondContact OG1-N 3.13Å; A251-S253 VanDerWaalsContact C-N 3.33Å; A251-F254 HydrophobicContact CB-CE2 4.49Å; A251-F254 HydrophobicContact CB-CZ 4.01Å; A251-F266 HydrophobicContact CB-CB 3.89Å; A251-F266 HydrophobicContact CB-CD1 4.22Å; A251-F266 HydrophobicContact CB-CD2 3.72Å; A251-F266 HydrophobicContact CB-CE2 4.27Å; A251-F266 HydrophobicContact CB-CG 3.68Å; A251-L371 HydrophobicContact CB-CD1 4.2Å; A251-T380 PolarHBondContact O-OG1 3.09Å
252	A	96.1	Very high	97.5	Very high	54 Å²	54	41.3 Å²	41.3	45%	0.446	22%	0.222	S	C	.	.	S	Bend	trans	-74	-30.1	172.1	0	0	0	0	0	111.8	D250 T380	D250-A252 PolarHBondContact O-N 3.34Å; D250-A252 VanDerWaalsContact OD1-CB 3.3Å; D250-A252 WeakPolarHBondContact OD1-CB 3Å; D250-A252 PolarHBondContact OD1-N 3.23Å; A252-T380 WeakPolarHBondContact O-CB 3.49Å; A252-T380 PolarHBondContact O-N 2.78Å; A252-T380 PolarHBondContact O-OG1 2.92Å
253	S	96.6	Very high	97.6	Very high	14 Å²	14	40.8 Å²	40.8	10%	0.098	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-151.1	157	172.8	54.2	0	0	0	0	110.3	T249 A251 G378	T249-S253 WeakPolarHBondContact CB-O 3Å; T249-S253 VanDerWaalsContact CG2-O 3.27Å; T249-S253 WeakPolarHBondContact CG2-O 3.5Å; T249-S253 PolarHBondContact OG1-O 2.02Å; A251-S253 VanDerWaalsContact C-N 3.33Å; S253-G378 CarbonylContact C-O 3.55Å; S253-G378 WeakPolarHBondContact CA-O 3.32Å
254	F	98.4	Very high	97.7	Very high	5 Å²	5	40.7 Å²	40.7	2%	0.022	23%	0.227	C	C	.	.			trans	-123.5	165.3	173.7	-64.1	-85.9	0	0	0	109.5	T249 A251 V258 L264 F266 L371 I373 G378	T249-F254 HydrophobicContact CG2-CD1 4.31Å; A251-F254 HydrophobicContact CB-CE2 4.49Å; A251-F254 HydrophobicContact CB-CZ 4.01Å; F254-V258 HydrophobicContact CB-CG2 4.47Å; F254-L264 HydrophobicContact CD1-CB 4.07Å; F254-L264 HydrophobicContact CD1-CD1 4.24Å; F254-L264 HydrophobicContact CD1-CD2 4.1Å; F254-L264 HydrophobicContact CD1-CG 4.38Å; F254-L264 HydrophobicContact CD2-CD1 4.18Å; F254-L264 HydrophobicContact CE1-CB 3.76Å; F254-L264 HydrophobicContact CE1-CD1 4.35Å; F254-L264 HydrophobicContact CE1-CG 4.49Å; F254-L264 HydrophobicContact CE2-CD1 4.29Å; F254-L264 HydrophobicContact CG-CD1 4.15Å; F254-L264 HydrophobicContact CG-CD2 4.38Å; F254-L264 HydrophobicContact CZ-CB 4.22Å; F254-L264 HydrophobicContact CZ-CD1 4.36Å; F254-F266 HydrophobicContact CE1-CB 4.29Å; F254-F266 HydrophobicContact CE1-CD1 4.28Å; F254-F266 HydrophobicContact CZ-CB 4.5Å; F254-F266 HydrophobicContact CZ-CD1 4.1Å; F254-L371 HydrophobicContact CE2-CD1 4.05Å; F254-L371 HydrophobicContact CZ-CD1 3.93Å; F254-I373 HydrophobicContact CD2-CD1 3.58Å; F254-I373 HydrophobicContact CD2-CG1 4.22Å; F254-I373 HydrophobicContact CD2-CG2 4.41Å; F254-I373 HydrophobicContact CE2-CD1 3.43Å; F254-I373 VanDerWaalsContact CE2-CD1 3.43Å; F254-I373 HydrophobicContact CE2-CG1 4.2Å; F254-I373 HydrophobicContact CZ-CD1 4.32Å; F254-G378 PolarHBondContact N-O 3.18Å
255	P	98.1	Very high	97.7	Very high	18 Å²	18	44.5 Å²	44.5	12%	0.117	25%	0.245	C	C	.	.			trans	-53.7	145	169.8	-25.9	35.1	0	0	0	112.4	S222 V224 I226 V258	S222-P255 WeakPolarHBondContact O-CB 3.42Å; S222-P255 WeakPolarHBondContact O-CG 3.13Å; V224-P255 HydrophobicContact CG1-CB 4.4Å; I226-P255 HydrophobicContact CD1-CG 4.14Å; I226-P255 HydrophobicContact CG1-CG 4.25Å; P255-V258 WeakPolarHBondContact O-CG2 3.44Å
256	P	96.3	Very high	97.7	Very high	13 Å²	13	41.5 Å²	41.5	8%	0.084	23%	0.229	C	C	.	.	S	Bend	trans	-68.7	166.4	-175.3	31.3	-38.9	0	0	0	112.3	I38 V42 I221 I376	I38-P256 HydrophobicContact CG2-CB 4.17Å; V42-P256 HydrophobicContact CG2-CB 4.24Å; V42-P256 HydrophobicContact CG2-CG 3.86Å; I221-P256 HydrophobicContact CG1-CG 3.65Å; I221-P256 HydrophobicContact CG2-CG 4.26Å; P256-I376 WeakPolarHBondContact CB-O 3.48Å
257	F	95.6	Very high	97.7	Very high	66 Å²	66	41 Å²	41	29%	0.289	23%	0.227	S	C	.	.	S	Bend	trans	62.1	49	-178.4	-41.3	-71.5	0	0	0	112.9	Q35 I38 K39 P375 I376	Q35-F257 HydrophobicContact CB-CE1 4.46Å; Q35-F257 HydrophobicContact CB-CZ 4.07Å; Q35-F257 HydrophobicContact CG-CE1 3.84Å; Q35-F257 HydrophobicContact CG-CZ 3.9Å; I38-F257 HydrophobicContact CB-CE1 4.42Å; I38-F257 HydrophobicContact CB-CZ 3.97Å; I38-F257 HydrophobicContact CG2-CE1 4.18Å; I38-F257 HydrophobicContact CG2-CE2 4.44Å; I38-F257 HydrophobicContact CG2-CZ 3.77Å; K39-F257 HydrophobicContact CD-CE2 4.42Å; K39-F257 HydrophobicContact CG-CE2 3.85Å; K39-F257 HydrophobicContact CG-CZ 4.25Å; F257-P375 CarbonylContact C-O 3.23Å; F257-P375 WeakPolarHBondContact CA-O 3.39Å; F257-P375 PolarHBondContact N-O 3.15Å; F257-I376 HydrophobicContact CE1-CG2 4.23Å; F257-I376 PolarHBondContact N-O 3.15Å; F257-I376 VanDerWaalsContact N-O 3.12Å
258	V	97.8	Very high	97.7	Very high	7 Å²	7	39.7 Å²	39.7	4%	0.042	22%	0.221	C	C	.	.			trans	-64.7	131.2	179.7	179	0	0	0	0	110.6	F254 P255 L264 Y291 F293 I373 P375	F254-V258 HydrophobicContact CB-CG2 4.47Å; P255-V258 WeakPolarHBondContact O-CG2 3.44Å; V258-L264 HydrophobicContact CG1-CD1 4.21Å; V258-L264 HydrophobicContact CG1-CD2 4.17Å; V258-Y291 WeakPolarHBondContact O-CE2 3.46Å; V258-F293 HydrophobicContact CG1-CE2 3.92Å; V258-F293 HydrophobicContact CG1-CZ 3.76Å; V258-I373 HydrophobicContact CG2-CG2 4.34Å; V258-P375 PolarHBondContact N-O 2.92Å
259	E	97.6	Very high	97.6	Very high	122 Å²	122	40.2 Å²	40.2	57%	0.57	22%	0.223	S	C	*	.			trans	-98.6	151.2	176.1	-63.4	-178.2	-169.5	0	0	111.9	S261 Q262	E259-S261 PolarHBondContact O-N 2.88Å; E259-S261 PolarHBondContact OE2-OG 3.23Å; E259-Q262 HydrophobicContact CB-CB 4.37Å; E259-Q262 VanDerWaalsContact O-CB 3.26Å; E259-Q262 WeakPolarHBondContact O-CB 3.5Å; E259-Q262 PolarHBondContact O-N 3.28Å; E259-Q262 VanDerWaalsContact O-N 3.14Å
260	K	98.1	Very high	97.4	Very high	84 Å²	84	43 Å²	43	37%	0.365	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-26.2	176.2	-62.7	-175.5	176.7	-174.7	0	113.2	Q262 F279 D282 Y291	K260-Q262 VanDerWaalsContact C-N 3.27Å; K260-F279 HydrophobicContact CB-CB 4.47Å; K260-F279 HydrophobicContact CB-CD1 4.09Å; K260-F279 HydrophobicContact CB-CD2 4.14Å; K260-F279 HydrophobicContact CB-CE1 4.4Å; K260-F279 HydrophobicContact CB-CE2 4.44Å; K260-F279 HydrophobicContact CB-CG 3.96Å; K260-F279 HydrophobicContact CD-CD1 4.44Å; K260-F279 HydrophobicContact CD-CD2 4.44Å; K260-F279 HydrophobicContact CD-CE1 3.9Å; K260-F279 HydrophobicContact CD-CE2 3.9Å; K260-F279 HydrophobicContact CD-CZ 3.6Å; K260-F279 HydrophobicContact CG-CD1 4.39Å; K260-F279 HydrophobicContact CG-CD2 3.91Å; K260-F279 HydrophobicContact CG-CE1 4.29Å; K260-F279 HydrophobicContact CG-CE2 3.79Å; K260-F279 HydrophobicContact CG-CG 4.21Å; K260-F279 HydrophobicContact CG-CZ 3.99Å; K260-F279 WeakPolarHBondContact O-CB 3.24Å; K260-D282 WeakPolarHBondContact CE-OD1 3.24Å; K260-D282 IonicContact NZ-OD1 2.8Å; K260-D282 PolarHBondContact NZ-OD1 3.27Å; K260-D282 IonicContact NZ-OD2 3.7Å; K260-D282 PolarHBondContact NZ-OD2 3.26Å; K260-Y291 HydrophobicContact CD-CE1 4.4Å; K260-Y291 HydrophobicContact CG-CD2 4.06Å; K260-Y291 HydrophobicContact CG-CE1 4.22Å; K260-Y291 HydrophobicContact CG-CE2 3.63Å
261	S	97.9	Very high	97.4	Very high	92 Å²	92	41.6 Å²	41.6	64%	0.643	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-15.8	176.3	51.6	0	0	0	0	112.9	E259	E259-S261 PolarHBondContact O-N 2.88Å; E259-S261 PolarHBondContact OE2-OG 3.23Å
262	Q	96.9	Very high	97.4	Very high	75 Å²	75	41.2 Å²	41.2	35%	0.35	23%	0.226	S	C	.	.			trans	-76.8	142.2	-170.7	-162.3	175	-1.7	0	0	111.4	E259 K260 L264 F293	E259-Q262 HydrophobicContact CB-CB 4.37Å; E259-Q262 VanDerWaalsContact O-CB 3.26Å; E259-Q262 WeakPolarHBondContact O-CB 3.5Å; E259-Q262 PolarHBondContact O-N 3.28Å; E259-Q262 VanDerWaalsContact O-N 3.14Å; K260-Q262 VanDerWaalsContact C-N 3.27Å; Q262-L264 HydrophobicContact CG-CD2 4.09Å; Q262-F293 WeakPolarHBondContact O-CE1 3.43Å
263	V	98.3	Very high	97.5	Very high	77 Å²	77	39.6 Å²	39.6	47%	0.467	21%	0.208	S	C	.	.			trans	-95.9	118.7	168	177.3	0	0	0	0	108.2	Q265 Y276 V278	V263-Q265 PolarHBondContact O-N 3.25Å; V263-Y276 HydrophobicContact CG1-CD2 3.58Å; V263-Y276 HydrophobicContact CG1-CG 3.87Å; V263-V278 HydrophobicContact CG2-CG1 4.45Å
264	L	98.6	Very high	97.6	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.021	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	105.9	-177.1	-63.4	-175.3	0	0	0	110.2	F254 V258 Q262 Y276 A277 F293 I373	F254-L264 HydrophobicContact CD1-CB 4.07Å; F254-L264 HydrophobicContact CD1-CD1 4.24Å; F254-L264 HydrophobicContact CD1-CD2 4.1Å; F254-L264 HydrophobicContact CD1-CG 4.38Å; F254-L264 HydrophobicContact CD2-CD1 4.18Å; F254-L264 HydrophobicContact CE1-CB 3.76Å; F254-L264 HydrophobicContact CE1-CD1 4.35Å; F254-L264 HydrophobicContact CE1-CG 4.49Å; F254-L264 HydrophobicContact CE2-CD1 4.29Å; F254-L264 HydrophobicContact CG-CD1 4.15Å; F254-L264 HydrophobicContact CG-CD2 4.38Å; F254-L264 HydrophobicContact CZ-CB 4.22Å; F254-L264 HydrophobicContact CZ-CD1 4.36Å; V258-L264 HydrophobicContact CG1-CD1 4.21Å; V258-L264 HydrophobicContact CG1-CD2 4.17Å; Q262-L264 HydrophobicContact CG-CD2 4.09Å; L264-Y276 CarbonylContact O-C 3.55Å; L264-Y276 WeakPolarHBondContact O-CA 3.41Å; L264-A277 PolarHBondContact N-O 2.64Å; L264-A277 PolarHBondContact O-N 3.46Å; L264-F293 HydrophobicContact CB-CD1 4.41Å; L264-F293 HydrophobicContact CD1-CD1 3.66Å; L264-F293 HydrophobicContact CD1-CD2 3.88Å; L264-F293 HydrophobicContact CD1-CE1 3.64Å; L264-F293 HydrophobicContact CD1-CE2 3.83Å; L264-F293 HydrophobicContact CD1-CG 3.79Å; L264-F293 HydrophobicContact CD1-CZ 3.73Å; L264-F293 HydrophobicContact CG-CD1 3.9Å; L264-F293 HydrophobicContact CG-CE1 3.65Å; L264-F293 HydrophobicContact CG-CZ 4.05Å; L264-I373 HydrophobicContact CD1-CD1 3.24Å
265	Q	98.5	Very high	97.6	Very high	94 Å²	94	39.6 Å²	39.6	44%	0.439	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	145	175.3	-65.2	179.6	-29.5	0	0	110.8	N247 G248 T249 V263 I275	N247-Q265 HydrophobicContact CB-CB 4.23Å; G248-Q265 VanDerWaalsContact CA-O 3.26Å; G248-Q265 WeakPolarHBondContact CA-O 3.3Å; T249-Q265 PolarHBondContact N-O 2.8Å; V263-Q265 PolarHBondContact O-N 3.25Å; Q265-I275 WeakPolarHBondContact CA-O 3.43Å
266	F	98.6	Very high	97.6	Very high	16 Å²	16	41 Å²	41	7%	0.07	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	153.8	172.3	56.9	-87.6	0	0	0	111.1	N247 T249 A251 F254 S274 I275 A277 L295 L371	N247-F266 CarbonylContact O-C 3.44Å; N247-F266 WeakPolarHBondContact O-CA 3.34Å; T249-F266 CarbonylContact O-C 3.51Å; T249-F266 VanDerWaalsContact O-CA 3.27Å; T249-F266 WeakPolarHBondContact O-CA 3.07Å; T249-F266 VanDerWaalsContact O-CB 3.3Å; T249-F266 WeakPolarHBondContact O-CB 3.28Å; A251-F266 HydrophobicContact CB-CB 3.89Å; A251-F266 HydrophobicContact CB-CD1 4.22Å; A251-F266 HydrophobicContact CB-CD2 3.72Å; A251-F266 HydrophobicContact CB-CE2 4.27Å; A251-F266 HydrophobicContact CB-CG 3.68Å; F254-F266 HydrophobicContact CE1-CB 4.29Å; F254-F266 HydrophobicContact CE1-CD1 4.28Å; F254-F266 HydrophobicContact CZ-CB 4.5Å; F254-F266 HydrophobicContact CZ-CD1 4.1Å; F266-S274 WeakPolarHBondContact O-CA 3.25Å; F266-I275 HydrophobicContact CD2-CG2 3.93Å; F266-I275 HydrophobicContact CE1-CG2 4.15Å; F266-I275 HydrophobicContact CE2-CG2 3.3Å; F266-I275 HydrophobicContact CZ-CG2 3.43Å; F266-I275 VanDerWaalsContact CZ-CG2 3.43Å; F266-I275 PolarHBondContact N-O 3.24Å; F266-I275 PolarHBondContact O-N 3.21Å; F266-I275 VanDerWaalsContact O-O 3.11Å; F266-A277 HydrophobicContact CE1-CB 4.04Å; F266-L295 HydrophobicContact CE1-CD1 4.42Å; F266-L295 HydrophobicContact CZ-CD1 3.88Å; F266-L295 HydrophobicContact CZ-CG 4.45Å; F266-L371 HydrophobicContact CE1-CD1 4.1Å; F266-L371 HydrophobicContact CZ-CD1 4.48Å
267	F	98.6	Very high	97.7	Very high	5 Å²	5	40.4 Å²	40.4	2%	0.022	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	134.7	174.4	172	-117.6	0	0	0	110.2	Y212 I227 Y230 L236 I246 N247 T249	Y212-F267 HydrophobicContact CE1-CD1 4.07Å; Y212-F267 HydrophobicContact CE1-CE1 4.16Å; I227-F267 HydrophobicContact CD1-CB 3.72Å; I227-F267 HydrophobicContact CD1-CD1 3.95Å; I227-F267 HydrophobicContact CD1-CG 4.32Å; Y230-F267 HydrophobicContact CD1-CE1 4Å; Y230-F267 HydrophobicContact CD1-CZ 4.09Å; Y230-F267 HydrophobicContact CD2-CE1 4.09Å; Y230-F267 HydrophobicContact CE1-CE1 4.25Å; Y230-F267 HydrophobicContact CE1-CZ 4.17Å; Y230-F267 HydrophobicContact CE2-CE1 4.32Å; Y230-F267 AromaticContact CG-CE1 3.91Å; Y230-F267 HydrophobicContact CG-CE1 3.91Å; Y230-F267 HydrophobicContact CG-CZ 4.46Å; L236-F267 HydrophobicContact CD1-CD2 4.41Å; L236-F267 HydrophobicContact CD1-CE2 3.81Å; L236-F267 HydrophobicContact CD2-CD2 4.47Å; L236-F267 HydrophobicContact CD2-CE2 3.52Å; L236-F267 HydrophobicContact CD2-CZ 3.61Å; L236-F267 HydrophobicContact CG-CE2 4.26Å; I246-F267 HydrophobicContact CG2-CB 3.97Å; I246-F267 HydrophobicContact CG2-CD1 4.25Å; I246-F267 HydrophobicContact CG2-CD2 4.49Å; I246-F267 HydrophobicContact CG2-CG 3.98Å; N247-F267 PolarHBondContact O-N 2.95Å; T249-F267 PolarHBondContact O-N 2.64Å
268	S	97.8	Very high	97.9	Very high	15 Å²	15	39.2 Å²	39.2	11%	0.105	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	110.3	169.2	-172.1	0	0	0	0	110.5	D270 I271 C272 R273 K385	S268-D270 PolarHBondContact O-N 3.32Å; S268-I271 WeakPolarHBondContact O-CG1 3.21Å; S268-I271 PolarHBondContact O-N 2.56Å; S268-C272 PolarHBondContact O-N 2.89Å; S268-C272 VanDerWaalsContact O-N 3.15Å; S268-R273 PolarHBondContact N-O 2.89Å; S268-K385 PolarHBondContact OG-NZ 2.58Å
269	S	96.8	Very high	97.9	Very high	21 Å²	21	41.5 Å²	41.5	15%	0.147	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-59.4	-32.3	179	55.4	0	0	0	0	112.9	D209 Y212 I271 C272	D209-S269 VanDerWaalsContact OD2-CB 3.24Å; D209-S269 WeakPolarHBondContact OD2-CB 3.43Å; D209-S269 PolarHBondContact OD2-OG 3.23Å; Y212-S269 WeakPolarHBondContact OH-CB 3.31Å; Y212-S269 PolarHBondContact OH-OG 3.23Å; S269-I271 VanDerWaalsContact C-N 3.26Å; S269-I271 PolarHBondContact O-N 2.79Å; S269-C272 PolarHBondContact O-N 2.89Å; S269-C272 VanDerWaalsContact O-N 3.15Å
270	D	94.1	Very high	98	Very high	58 Å²	58	39 Å²	39	31%	0.31	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-59.8	-33.1	178.9	-59.5	-27.1	0	0	0	113.5	S268 K385	S268-D270 PolarHBondContact O-N 3.32Å; D270-K385 IonicContact OD2-NZ 3.46Å; D270-K385 PolarHBondContact OD2-NZ 3.13Å
271	I	97.3	Very high	98	Very high	19 Å²	19	36.8 Å²	36.8	10%	0.097	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-107.9	5	178.8	68.2	171.6	0	0	0	112.7	S268 S269 R273 I275 I341 L387	S268-I271 WeakPolarHBondContact O-CG1 3.21Å; S268-I271 PolarHBondContact O-N 2.56Å; S269-I271 VanDerWaalsContact C-N 3.26Å; S269-I271 PolarHBondContact O-N 2.79Å; I271-R273 VanDerWaalsContact C-N 3.28Å; I271-R273 HydrophobicContact CD1-CG 4.04Å; I271-R273 HydrophobicContact CG1-CG 4.08Å; I271-R273 PolarHBondContact O-N 3.43Å; I271-I275 HydrophobicContact CD1-CD1 4.5Å; I271-I275 HydrophobicContact CD1-CG2 4.37Å; I271-I341 HydrophobicContact CG2-CG1 4.48Å; I271-I341 HydrophobicContact CG2-CG2 3.89Å; I271-L387 HydrophobicContact CG2-CD2 4.17Å
272	C	97.7	Very high	98	Very high	6 Å²	6	37 Å²	37	4%	0.041	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	31.2	172.9	-53.1	0	0	0	0	115.4	L236 Y238 W239 S268 S269 C333	L236-C272 WeakPolarHBondContact CD1-O 3.38Å; Y238-C272 HydrophobicContact CD2-CB 3.98Å; Y238-C272 HydrophobicContact CE2-CB 4.18Å; W239-C272 PolarHBondContact NE1-O 2.86Å; S268-C272 PolarHBondContact O-N 2.89Å; S268-C272 VanDerWaalsContact O-N 3.15Å; S269-C272 PolarHBondContact O-N 2.89Å; S269-C272 VanDerWaalsContact O-N 3.15Å; C272-C333 HydrophobicContact CB-CB 3.63Å; C272-C333 WeakPolarHBondContact CB-SG 3.45Å; C272-C333 WeakPolarHBondContact SG-CB 3.33Å; C272-C333 CovalentContact SG-SG 2.02Å; C272-C333 PolarHBondContact SG-SG 3.34Å
273	R	98.2	Very high	98.1	Very high	20 Å²	20	35.1 Å²	35.1	8%	0.075	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	164.1	173.7	62.6	172.1	-75.1	-178.7	-3.6	111.9	S268 I271 F312 L328	S268-R273 PolarHBondContact N-O 2.89Å; I271-R273 VanDerWaalsContact C-N 3.28Å; I271-R273 HydrophobicContact CD1-CG 4.04Å; I271-R273 HydrophobicContact CG1-CG 4.08Å; I271-R273 PolarHBondContact O-N 3.43Å; R273-F312 HydrophobicContact CB-CE1 3.8Å; R273-F312 HydrophobicContact CB-CZ 4.31Å; R273-F312 HydrophobicContact CG-CE1 4.39Å; R273-F312 VanDerWaalsContact CZ-CD2 3.49Å; R273-F312 VanDerWaalsContact NE-CZ 3.3Å; R273-F312 VanDerWaalsContact NH1-CE2 3.28Å; R273-L328 VanDerWaalsContact CD-CD2 3.49Å; R273-L328 HydrophobicContact CG-CD2 4Å
274	S	98.6	Very high	98	Very high	12 Å²	12	36.8 Å²	36.8	8%	0.084	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	146.9	160.2	-73.4	0	0	0	0	111.5	M245 N247 F266	M245-S274 PolarHBondContact O-OG 2.79Å; N247-S274 PolarHBondContact N-OG 3.43Å; N247-S274 PolarHBondContact O-OG 2.96Å; F266-S274 WeakPolarHBondContact O-CA 3.25Å
275	I	98.2	Very high	97.9	Very high	7 Å²	7	37.2 Å²	37.2	4%	0.036	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	179.9	177.7	-164.9	156.9	0	0	0	108.6	Q265 F266 I271 L295 A299 F300	Q265-I275 WeakPolarHBondContact CA-O 3.43Å; F266-I275 HydrophobicContact CD2-CG2 3.93Å; F266-I275 HydrophobicContact CE1-CG2 4.15Å; F266-I275 HydrophobicContact CE2-CG2 3.3Å; F266-I275 HydrophobicContact CZ-CG2 3.43Å; F266-I275 VanDerWaalsContact CZ-CG2 3.43Å; F266-I275 PolarHBondContact N-O 3.24Å; F266-I275 PolarHBondContact O-N 3.21Å; F266-I275 VanDerWaalsContact O-O 3.11Å; I271-I275 HydrophobicContact CD1-CD1 4.5Å; I271-I275 HydrophobicContact CD1-CG2 4.37Å; I275-L295 HydrophobicContact CD1-CD2 3.78Å; I275-L295 HydrophobicContact CD1-CG 4.36Å; I275-L295 HydrophobicContact CG1-CD2 4.36Å; I275-L295 HydrophobicContact CG2-CD2 4.46Å; I275-A299 HydrophobicContact CD1-CB 4Å; I275-A299 HydrophobicContact CG1-CB 4.06Å; I275-F300 HydrophobicContact CD1-CE1 4Å; I275-F300 HydrophobicContact CD1-CZ 4.02Å
276	Y	98.6	Very high	97.7	Very high	48 Å²	48	36.1 Å²	36.1	19%	0.188	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	155.3	-178.3	64.5	-84	0	0	0	111.8	V263 L264 V278 P296 A299	V263-Y276 HydrophobicContact CG1-CD2 3.58Å; V263-Y276 HydrophobicContact CG1-CG 3.87Å; L264-Y276 CarbonylContact O-C 3.55Å; L264-Y276 WeakPolarHBondContact O-CA 3.41Å; Y276-V278 HydrophobicContact CD2-CG1 3.95Å; Y276-V278 HydrophobicContact CE2-CG1 4Å; Y276-P296 HydrophobicContact CD2-CG 4.08Å; Y276-P296 HydrophobicContact CE2-CG 3.36Å; Y276-A299 HydrophobicContact CE1-CB 3.96Å
277	A	98.6	Very high	97.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	151.7	170.1	0	0	0	0	0	110.6	L264 F266 F293 V294 L295 L371	L264-A277 PolarHBondContact N-O 2.64Å; L264-A277 PolarHBondContact O-N 3.46Å; F266-A277 HydrophobicContact CE1-CB 4.04Å; A277-F293 HydrophobicContact CB-CB 3.83Å; A277-F293 HydrophobicContact CB-CD1 4.43Å; A277-V294 CarbonylContact C-O 3.54Å; A277-V294 VanDerWaalsContact CA-O 3.26Å; A277-V294 WeakPolarHBondContact CA-O 3.45Å; A277-L295 HydrophobicContact CB-CD1 4.18Å; A277-L371 HydrophobicContact CB-CD1 4.45Å
278	V	98.8	Very high	97.3	Very high	41 Å²	41	36.5 Å²	36.5	25%	0.248	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	149.5	179.3	-60.7	0	0	0	0	110.3	V263 Y276 F293 V294 P296	V263-V278 HydrophobicContact CG2-CG1 4.45Å; Y276-V278 HydrophobicContact CD2-CG1 3.95Å; Y276-V278 HydrophobicContact CE2-CG1 4Å; V278-F293 CarbonylContact O-C 3.59Å; V278-F293 VanDerWaalsContact O-CA 3.23Å; V278-F293 WeakPolarHBondContact O-CA 3.27Å; V278-V294 HydrophobicContact CG2-CG2 4.31Å; V278-V294 PolarHBondContact N-O 3.08Å; V278-V294 PolarHBondContact O-N 3.26Å; V278-P296 HydrophobicContact CG1-CG 4.17Å; V278-P296 HydrophobicContact CG2-CB 3.99Å; V278-P296 HydrophobicContact CG2-CG 4.07Å
279	F	98.8	Very high	97.2	Very high	55 Å²	55	39.4 Å²	39.4	24%	0.241	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	138.1	178.2	177	-97	0	0	0	111.2	K260 S281 Y291 F293	K260-F279 HydrophobicContact CB-CB 4.47Å; K260-F279 HydrophobicContact CB-CD1 4.09Å; K260-F279 HydrophobicContact CB-CD2 4.14Å; K260-F279 HydrophobicContact CB-CE1 4.4Å; K260-F279 HydrophobicContact CB-CE2 4.44Å; K260-F279 HydrophobicContact CB-CG 3.96Å; K260-F279 HydrophobicContact CD-CD1 4.44Å; K260-F279 HydrophobicContact CD-CD2 4.44Å; K260-F279 HydrophobicContact CD-CE1 3.9Å; K260-F279 HydrophobicContact CD-CE2 3.9Å; K260-F279 HydrophobicContact CD-CZ 3.6Å; K260-F279 HydrophobicContact CG-CD1 4.39Å; K260-F279 HydrophobicContact CG-CD2 3.91Å; K260-F279 HydrophobicContact CG-CE1 4.29Å; K260-F279 HydrophobicContact CG-CE2 3.79Å; K260-F279 HydrophobicContact CG-CG 4.21Å; K260-F279 HydrophobicContact CG-CZ 3.99Å; K260-F279 WeakPolarHBondContact O-CB 3.24Å; F279-S281 WeakPolarHBondContact CE2-O 3.49Å; F279-S281 VanDerWaalsContact CZ-C 3.43Å; F279-Y291 HydrophobicContact CD2-CD2 4.46Å; F279-Y291 HydrophobicContact CD2-CG 4.1Å; F279-Y291 AromaticContact CE2-CD1 3.89Å; F279-Y291 HydrophobicContact CE2-CD1 3.89Å; F279-Y291 HydrophobicContact CE2-CD2 4.48Å; F279-Y291 AromaticContact CE2-CG 3.84Å; F279-Y291 HydrophobicContact CE2-CG 3.84Å; F279-F293 HydrophobicContact CB-CD1 4.46Å; F279-F293 HydrophobicContact CB-CE1 4.03Å; F279-F293 HydrophobicContact CB-CZ 4.15Å; F279-F293 HydrophobicContact CD2-CE2 4.42Å; F279-F293 VanDerWaalsContact N-CD1 3.34Å
280	E	98.3	Very high	97.2	Very high	70 Å²	70	38.4 Å²	38.4	33%	0.327	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	-56.5	173.6	176.1	-173.3	-107.8	0	0	111.2	R292 V294 R368	E280-R292 HydrophobicContact CB-CG 4.43Å; E280-R292 PolarHBondContact N-O 2.99Å; E280-R292 WeakPolarHBondContact OE2-CD 3.09Å; E280-V294 HydrophobicContact CB-CG1 4.02Å; E280-V294 HydrophobicContact CB-CG2 4.11Å; E280-R368 IonicContact OE1-CZ 2.75Å; E280-R368 VanDerWaalsContact OE1-CZ 3.32Å; E280-R368 IonicContact OE1-NH1 2.83Å; E280-R368 PolarHBondContact OE1-NH1 3.05Å; E280-R368 IonicContact OE1-NH2 3.55Å; E280-R368 PolarHBondContact OE1-NH2 3.49Å; E280-R368 IonicContact OE2-CZ 2.93Å; E280-R368 IonicContact OE2-NH1 3.32Å; E280-R368 IonicContact OE2-NH2 2.65Å; E280-R368 PolarHBondContact OE2-NH2 3.18Å
281	S	98.3	Very high	97.5	Very high	37 Å²	37	38 Å²	38	26%	0.259	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	159.3	-167.8	55.5	0	0	0	0	113.1	F279 R292	F279-S281 WeakPolarHBondContact CE2-O 3.49Å; F279-S281 VanDerWaalsContact CZ-C 3.43Å; S281-R292 WeakPolarHBondContact O-CB 3.23Å; S281-R292 PolarHBondContact O-N 2.98Å
282	D	98.4	Very high	97.5	Very high	98 Å²	98	39.1 Å²	39.1	52%	0.524	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	134.2	166.9	-63.5	-84.7	0	0	0	110.2	K260 Y291	K260-D282 WeakPolarHBondContact CE-OD1 3.24Å; K260-D282 IonicContact NZ-OD1 2.8Å; K260-D282 PolarHBondContact NZ-OD1 3.27Å; K260-D282 IonicContact NZ-OD2 3.7Å; K260-D282 PolarHBondContact NZ-OD2 3.26Å; D282-Y291 VanDerWaalsContact OD1-CE1 3.26Å; D282-Y291 WeakPolarHBondContact OD1-CE1 3.27Å
283	V	98.2	Very high	97.6	Very high	34 Å²	34	38.9 Å²	38.9	21%	0.206	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	143.8	178.6	176.4	0	0	0	0	109.2	V290 R292	V283-V290 HydrophobicContact CB-CG2 3.85Å; V283-V290 HydrophobicContact CG1-CG2 4.15Å; V283-V290 PolarHBondContact N-O 3.46Å; V283-V290 WeakPolarHBondContact O-CG2 3.07Å; V283-V290 PolarHBondContact O-N 3.1Å; V283-V290 VanDerWaalsContact O-O 3.13Å; V283-R292 HydrophobicContact CG2-CB 3.92Å
284	N	96.8	Very high	97.6	Very high	113 Å²	113	38.8 Å²	38.8	60%	0.604	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-105.2	96.3	173.2	-174.3	47.1	0	0	0	110.1	K286 G287 I288	N284-K286 PolarHBondContact O-N 3.03Å; N284-G287 VanDerWaalsContact OD1-C 3.31Å; N284-G287 VanDerWaalsContact OD1-CA 3.25Å; N284-G287 WeakPolarHBondContact OD1-CA 3.45Å; N284-I288 PolarHBondContact OD1-N 2.97Å
285	L	96.4	Very high	97.6	Very high	13 Å²	13	39 Å²	39	7%	0.068	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	103.3	-177.5	-178.7	63.7	0	0	0	110.1	G287 I288 V290 L381 Q382 I422	L285-G287 PolarHBondContact O-N 3.33Å; L285-G287 VanDerWaalsContact O-N 3.14Å; L285-I288 PolarHBondContact N-O 3.3Å; L285-I288 WeakPolarHBondContact O-CB 3.5Å; L285-I288 PolarHBondContact O-N 3.47Å; L285-V290 HydrophobicContact CB-CG1 4.33Å; L285-V290 HydrophobicContact CB-CG2 3.9Å; L285-L381 HydrophobicContact CD2-CB 3.69Å; L285-Q382 HydrophobicContact CD1-CB 4.42Å; L285-Q382 VanDerWaalsContact CD1-OE1 3.32Å; L285-Q382 HydrophobicContact CD2-CB 3.64Å; L285-I422 HydrophobicContact CD2-CG2 3.83Å; L285-I422 HydrophobicContact CG-CG2 4.23Å
286	K	95.3	Very high	97.6	Very high	70 Å²	70	39.7 Å²	39.7	30%	0.304	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	36	178.7	-54.4	-177	173.2	-160.4	0	112.6	N284 I422 D424 A427 R431	N284-K286 PolarHBondContact O-N 3.03Å; K286-I422 HydrophobicContact CD-CG2 4.33Å; K286-I422 VanDerWaalsContact CE-O 3.25Å; K286-I422 WeakPolarHBondContact CE-O 3.2Å; K286-I422 PolarHBondContact NZ-O 2.88Å; K286-D424 VanDerWaalsContact CD-OD1 3.29Å; K286-D424 WeakPolarHBondContact CD-OD1 3.29Å; K286-D424 VanDerWaalsContact CE-OD1 3.27Å; K286-D424 WeakPolarHBondContact CE-OD1 3.47Å; K286-D424 IonicContact NZ-OD1 2.8Å; K286-D424 PolarHBondContact NZ-OD1 3.29Å; K286-D424 IonicContact NZ-OD2 2.78Å; K286-A427 HydrophobicContact CB-CB 3.99Å; K286-A427 HydrophobicContact CD-CB 4Å; K286-R431 PolarHBondContact O-NH1 2.96Å
287	G	93.3	Very high	97.5	Very high	30 Å²	30	40.4 Å²	40.4	31%	0.309	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	15.6	-176.8	0	0	0	0	0	115	N284 L285 R431	N284-G287 VanDerWaalsContact OD1-C 3.31Å; N284-G287 VanDerWaalsContact OD1-CA 3.25Å; N284-G287 WeakPolarHBondContact OD1-CA 3.45Å; L285-G287 PolarHBondContact O-N 3.33Å; L285-G287 VanDerWaalsContact O-N 3.14Å; G287-R431 WeakPolarHBondContact O-CD 3.41Å
288	I	94.9	Very high	97.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	118.8	170.8	-55.9	165.2	0	0	0	107.2	N284 L285 V290 E374 L381 I422 A427 F430 R431	N284-I288 PolarHBondContact OD1-N 2.97Å; L285-I288 PolarHBondContact N-O 3.3Å; L285-I288 WeakPolarHBondContact O-CB 3.5Å; L285-I288 PolarHBondContact O-N 3.47Å; I288-V290 HydrophobicContact CG2-CG1 4.1Å; I288-V290 PolarHBondContact O-N 2.92Å; I288-E374 HydrophobicContact CG2-CG 3.76Å; I288-L381 HydrophobicContact CB-CD1 4.45Å; I288-L381 HydrophobicContact CD1-CD1 4Å; I288-L381 HydrophobicContact CG2-CD1 3.85Å; I288-I422 HydrophobicContact CD1-CD1 4.37Å; I288-A427 HydrophobicContact CD1-CB 4.04Å; I288-F430 HydrophobicContact CD1-CB 4.15Å; I288-F430 HydrophobicContact CD1-CD1 3.66Å; I288-F430 HydrophobicContact CD1-CE1 4.45Å; I288-F430 HydrophobicContact CD1-CG 4.13Å; I288-F430 HydrophobicContact CG1-CD1 4.07Å; I288-F430 HydrophobicContact CG2-CD1 4.06Å; I288-F430 HydrophobicContact CG2-CE1 3.82Å; I288-R431 HydrophobicContact CD1-CG 4.22Å; I288-R431 HydrophobicContact CG1-CG 3.51Å
289	P	95.6	Very high	97.4	Very high	75 Å²	75	43.8 Å²	43.8	49%	0.487	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	126	171.9	-18.7	31.8	0	0	0	110.3	P375	P289-P375 WeakPolarHBondContact O-CD 3.29Å
290	V	98.1	Very high	97.4	Very high	1 Å²	1	43 Å²	43	1%	0.006	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	152.7	178.8	-61.2	0	0	0	0	110.2	V283 L285 I288 D372 I373 E374 L381	V283-V290 HydrophobicContact CB-CG2 3.85Å; V283-V290 HydrophobicContact CG1-CG2 4.15Å; V283-V290 PolarHBondContact N-O 3.46Å; V283-V290 WeakPolarHBondContact O-CG2 3.07Å; V283-V290 PolarHBondContact O-N 3.1Å; V283-V290 VanDerWaalsContact O-O 3.13Å; L285-V290 HydrophobicContact CB-CG1 4.33Å; L285-V290 HydrophobicContact CB-CG2 3.9Å; I288-V290 HydrophobicContact CG2-CG1 4.1Å; I288-V290 PolarHBondContact O-N 2.92Å; V290-D372 HydrophobicContact CB-CB 4.46Å; V290-D372 HydrophobicContact CG2-CB 3.89Å; V290-I373 CarbonylContact C-O 3.19Å; V290-I373 WeakPolarHBondContact CA-O 3.45Å; V290-I373 WeakPolarHBondContact CB-O 3.46Å; V290-E374 HydrophobicContact CG1-CB 4.13Å; V290-L381 HydrophobicContact CG1-CD1 4.01Å
291	Y	98.8	Very high	97.3	Very high	48 Å²	48	40.4 Å²	40.4	19%	0.188	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	125.2	173.1	-68.2	-11.9	0	0	0	109.6	V258 K260 F279 D282 F293 I373 P375	V258-Y291 WeakPolarHBondContact O-CE2 3.46Å; K260-Y291 HydrophobicContact CD-CE1 4.4Å; K260-Y291 HydrophobicContact CG-CD2 4.06Å; K260-Y291 HydrophobicContact CG-CE1 4.22Å; K260-Y291 HydrophobicContact CG-CE2 3.63Å; F279-Y291 HydrophobicContact CD2-CD2 4.46Å; F279-Y291 HydrophobicContact CD2-CG 4.1Å; F279-Y291 AromaticContact CE2-CD1 3.89Å; F279-Y291 HydrophobicContact CE2-CD1 3.89Å; F279-Y291 HydrophobicContact CE2-CD2 4.48Å; F279-Y291 AromaticContact CE2-CG 3.84Å; F279-Y291 HydrophobicContact CE2-CG 3.84Å; D282-Y291 VanDerWaalsContact OD1-CE1 3.26Å; D282-Y291 WeakPolarHBondContact OD1-CE1 3.27Å; Y291-F293 HydrophobicContact CD2-CE2 4.22Å; Y291-F293 HydrophobicContact CG-CE2 4.41Å; Y291-F293 PolarHBondContact O-N 2.99Å; Y291-I373 PolarHBondContact N-O 3.33Å; Y291-I373 PolarHBondContact O-N 3.28Å; Y291-P375 HydrophobicContact CD2-CB 3.83Å; Y291-P375 HydrophobicContact CD2-CG 4.46Å; Y291-P375 HydrophobicContact CE1-CG 4.28Å; Y291-P375 HydrophobicContact CE2-CB 3.57Å; Y291-P375 HydrophobicContact CE2-CG 4.18Å; Y291-P375 HydrophobicContact CG-CB 4.41Å
292	R	98.8	Very high	97.3	Very high	44 Å²	44	38.7 Å²	38.7	17%	0.166	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	116	171.7	178.3	158.7	-71	169.3	-0.1	109.5	E280 S281 V283 V294 D372	E280-R292 HydrophobicContact CB-CG 4.43Å; E280-R292 PolarHBondContact N-O 2.99Å; E280-R292 WeakPolarHBondContact OE2-CD 3.09Å; S281-R292 WeakPolarHBondContact O-CB 3.23Å; S281-R292 PolarHBondContact O-N 2.98Å; V283-R292 HydrophobicContact CG2-CB 3.92Å; R292-V294 HydrophobicContact CG-CG1 4.13Å; R292-D372 WeakPolarHBondContact CB-OD1 3.31Å; R292-D372 IonicContact CZ-OD1 3.58Å; R292-D372 IonicContact CZ-OD2 3.41Å; R292-D372 IonicContact NE-OD1 3.81Å; R292-D372 PolarHBondContact NE-OD1 3.04Å; R292-D372 IonicContact NE-OD2 2.61Å; R292-D372 IonicContact NH2-OD1 2.76Å; R292-D372 PolarHBondContact NH2-OD1 2.76Å; R292-D372 IonicContact NH2-OD2 3.86Å; R292-D372 PolarHBondContact NH2-OD2 2.77Å
293	F	98.8	Very high	97.3	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	136.3	171	-79	-99.5	0	0	0	109.8	V258 Q262 L264 A277 V278 F279 Y291 Y370 L371 I373	V258-F293 HydrophobicContact CG1-CE2 3.92Å; V258-F293 HydrophobicContact CG1-CZ 3.76Å; Q262-F293 WeakPolarHBondContact O-CE1 3.43Å; L264-F293 HydrophobicContact CB-CD1 4.41Å; L264-F293 HydrophobicContact CD1-CD1 3.66Å; L264-F293 HydrophobicContact CD1-CD2 3.88Å; L264-F293 HydrophobicContact CD1-CE1 3.64Å; L264-F293 HydrophobicContact CD1-CE2 3.83Å; L264-F293 HydrophobicContact CD1-CG 3.79Å; L264-F293 HydrophobicContact CD1-CZ 3.73Å; L264-F293 HydrophobicContact CG-CD1 3.9Å; L264-F293 HydrophobicContact CG-CE1 3.65Å; L264-F293 HydrophobicContact CG-CZ 4.05Å; A277-F293 HydrophobicContact CB-CB 3.83Å; A277-F293 HydrophobicContact CB-CD1 4.43Å; V278-F293 CarbonylContact O-C 3.59Å; V278-F293 VanDerWaalsContact O-CA 3.23Å; V278-F293 WeakPolarHBondContact O-CA 3.27Å; F279-F293 HydrophobicContact CB-CD1 4.46Å; F279-F293 HydrophobicContact CB-CE1 4.03Å; F279-F293 HydrophobicContact CB-CZ 4.15Å; F279-F293 HydrophobicContact CD2-CE2 4.42Å; F279-F293 VanDerWaalsContact N-CD1 3.34Å; Y291-F293 HydrophobicContact CD2-CE2 4.22Å; Y291-F293 HydrophobicContact CG-CE2 4.41Å; Y291-F293 PolarHBondContact O-N 2.99Å; F293-Y370 CarbonylContact O-C 3.54Å; F293-Y370 VanDerWaalsContact O-CA 3.23Å; F293-Y370 WeakPolarHBondContact O-CA 3.47Å; F293-L371 PolarHBondContact N-O 2.88Å; F293-L371 PolarHBondContact O-N 3.44Å; F293-I373 HydrophobicContact CB-CD1 4.25Å; F293-I373 HydrophobicContact CD2-CD1 3.78Å; F293-I373 HydrophobicContact CD2-CG1 4.49Å; F293-I373 HydrophobicContact CE2-CD1 4.41Å; F293-I373 HydrophobicContact CG-CD1 4.14Å
294	V	98.6	Very high	97.3	Very high	19 Å²	19	38.9 Å²	38.9	12%	0.115	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	152.3	-178.4	-60.4	0	0	0	0	110.9	A277 V278 E280 R292 P296	A277-V294 CarbonylContact C-O 3.54Å; A277-V294 VanDerWaalsContact CA-O 3.26Å; A277-V294 WeakPolarHBondContact CA-O 3.45Å; V278-V294 HydrophobicContact CG2-CG2 4.31Å; V278-V294 PolarHBondContact N-O 3.08Å; V278-V294 PolarHBondContact O-N 3.26Å; E280-V294 HydrophobicContact CB-CG1 4.02Å; E280-V294 HydrophobicContact CB-CG2 4.11Å; R292-V294 HydrophobicContact CG-CG1 4.13Å; V294-P296 WeakPolarHBondContact O-CD 3.25Å
295	L	98.2	Very high	97.3	Very high	15 Å²	15	38.1 Å²	38.1	8%	0.079	21%	0.209	C	C	.	.			trans	-77.2	115.5	170.3	-84	60.5	0	0	0	108.2	F266 I275 A277 F300 T369	F266-L295 HydrophobicContact CE1-CD1 4.42Å; F266-L295 HydrophobicContact CZ-CD1 3.88Å; F266-L295 HydrophobicContact CZ-CG 4.45Å; I275-L295 HydrophobicContact CD1-CD2 3.78Å; I275-L295 HydrophobicContact CD1-CG 4.36Å; I275-L295 HydrophobicContact CG1-CD2 4.36Å; I275-L295 HydrophobicContact CG2-CD2 4.46Å; A277-L295 HydrophobicContact CB-CD1 4.18Å; L295-F300 HydrophobicContact CB-CE2 4.08Å; L295-F300 HydrophobicContact CB-CZ 4.24Å; L295-F300 HydrophobicContact CD2-CZ 3.93Å; L295-T369 HydrophobicContact CD1-CG2 3.58Å; L295-T369 HydrophobicContact CD2-CG2 4.11Å; L295-T369 HydrophobicContact CG-CG2 4.39Å; L295-T369 PolarHBondContact N-O 2.96Å
296	P	97.9	Very high	97.4	Very high	23 Å²	23	37.7 Å²	37.7	15%	0.149	21%	0.207	C	C	.	.			trans	-74.4	151.1	-176.4	29.7	-32.1	0	0	0	111.1	Y276 V278 V294 K298 A299	Y276-P296 HydrophobicContact CD2-CG 4.08Å; Y276-P296 HydrophobicContact CE2-CG 3.36Å; V278-P296 HydrophobicContact CG1-CG 4.17Å; V278-P296 HydrophobicContact CG2-CB 3.99Å; V278-P296 HydrophobicContact CG2-CG 4.07Å; V294-P296 WeakPolarHBondContact O-CD 3.25Å; P296-K298 PolarHBondContact O-N 3.03Å; P296-K298 VanDerWaalsContact O-N 3.12Å; P296-A299 HydrophobicContact CG-CB 4.38Å; P296-A299 VanDerWaalsContact O-CB 3.28Å; P296-A299 WeakPolarHBondContact O-CB 3.28Å; P296-A299 PolarHBondContact O-N 2.79Å
297	S	97.4	Very high	97.5	Very high	63 Å²	63	38.4 Å²	38.4	44%	0.441	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-53.9	-33	174.5	57.5	0	0	0	0	112.8	A299 F300 A301	S297-A299 PolarHBondContact O-N 3.08Å; S297-F300 PolarHBondContact O-N 2.9Å; S297-A301 PolarHBondContact O-N 2.97Å
298	K	97.9	Very high	97.7	Very high	111 Å²	111	41.6 Å²	41.6	48%	0.483	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-57.5	-28.6	175.4	-167.7	175.3	-179.3	-176.9	0	113.6	P296 F300 A301 N306 N309	P296-K298 PolarHBondContact O-N 3.03Å; P296-K298 VanDerWaalsContact O-N 3.12Å; K298-F300 PolarHBondContact O-N 2.77Å; K298-A301 PolarHBondContact O-N 3.27Å; K298-N306 WeakPolarHBondContact CE-OD1 3.1Å; K298-N306 HydrophobicContact CG-CB 3.93Å; K298-N306 PolarHBondContact O-ND2 2.85Å; K298-N309 PolarHBondContact O-ND2 3.41Å
299	A	97.3	Very high	97.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-64.4	-26.7	175.8	0	0	0	0	0	112.4	I275 Y276 P296 S297 N309	I275-A299 HydrophobicContact CD1-CB 4Å; I275-A299 HydrophobicContact CG1-CB 4.06Å; Y276-A299 HydrophobicContact CE1-CB 3.96Å; P296-A299 HydrophobicContact CG-CB 4.38Å; P296-A299 VanDerWaalsContact O-CB 3.28Å; P296-A299 WeakPolarHBondContact O-CB 3.28Å; P296-A299 PolarHBondContact O-N 2.79Å; S297-A299 PolarHBondContact O-N 3.08Å; A299-N309 PolarHBondContact O-ND2 3.35Å; A299-N309 VanDerWaalsContact O-ND2 3.12Å
300	F	97.3	Very high	98	Very high	40 Å²	40	43.2 Å²	43.2	18%	0.175	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-105.8	1.1	-178.4	-49.8	-79.8	0	0	0	113.7	I275 L295 S297 K298 Y325 G326 L343 Y348	I275-F300 HydrophobicContact CD1-CE1 4Å; I275-F300 HydrophobicContact CD1-CZ 4.02Å; L295-F300 HydrophobicContact CB-CE2 4.08Å; L295-F300 HydrophobicContact CB-CZ 4.24Å; L295-F300 HydrophobicContact CD2-CZ 3.93Å; S297-F300 PolarHBondContact O-N 2.9Å; K298-F300 PolarHBondContact O-N 2.77Å; F300-Y325 WeakPolarHBondContact O-CB 3.39Å; F300-G326 PolarHBondContact O-N 3.29Å; F300-L343 HydrophobicContact CD2-CD1 4.31Å; F300-L343 HydrophobicContact CE1-CD2 4.36Å; F300-L343 HydrophobicContact CE1-CG 4.46Å; F300-L343 HydrophobicContact CE2-CD1 3.86Å; F300-L343 HydrophobicContact CE2-CD2 4.31Å; F300-L343 HydrophobicContact CE2-CG 4.19Å; F300-L343 HydrophobicContact CZ-CD1 4.21Å; F300-L343 HydrophobicContact CZ-CD2 3.83Å; F300-L343 HydrophobicContact CZ-CG 4.07Å; F300-Y348 HydrophobicContact CD2-CD2 4.42Å
301	A	98.1	Very high	98	Very high	14 Å²	14	43.7 Å²	43.7	12%	0.116	23%	0.233	C	C	.	.			trans	-73.1	159.1	-175.1	0	0	0	0	0	112.8	S297 K298 Q305 N306 N309	S297-A301 PolarHBondContact O-N 2.97Å; K298-A301 PolarHBondContact O-N 3.27Å; A301-Q305 HydrophobicContact CB-CB 4.07Å; A301-N306 HydrophobicContact CB-CB 4.07Å; A301-N309 PolarHBondContact O-ND2 3.17Å
302	S	98.3	Very high	97.9	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.014	23%	0.229	C	C	.	.			trans	-73.5	164.4	176.1	73.2	0	0	0	0	110.6	V304 Q305 N306 T323 Y325	S302-V304 PolarHBondContact O-N 3.35Å; S302-V304 WeakPolarHBondContact OG-CB 3.27Å; S302-V304 PolarHBondContact OG-N 2.76Å; S302-Q305 PolarHBondContact O-N 2.68Å; S302-Q305 PolarHBondContact OG-NE2 2.92Å; S302-Q305 PolarHBondContact OG-OE1 2.92Å; S302-N306 PolarHBondContact O-N 2.96Å; S302-T323 WeakPolarHBondContact CB-O 3.3Å; S302-Y325 VanDerWaalsContact N-CB 3.26Å
303	P	97.9	Very high	97.9	Very high	33 Å²	33	42 Å²	42	21%	0.214	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-23.4	170	-30.6	39.3	0	0	0	115.2	N306 P307 H310 C322	P303-N306 WeakPolarHBondContact CA-O 3.29Å; P303-N306 CarbonylContact O-C 3.35Å; P303-P307 WeakPolarHBondContact O-CA 3.29Å; P303-H310 HydrophobicContact CB-CB 4.15Å; P303-H310 VanDerWaalsContact CG-CA 3.46Å; P303-H310 HydrophobicContact CG-CB 4.04Å; P303-C322 WeakPolarHBondContact CD-O 3.32Å; P303-C322 HydrophobicContact CG-CB 4.18Å
304	V	97.5	Very high	97.7	Very high	103 Å²	103	45.2 Å²	45.2	62%	0.624	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-40.1	176	-178.1	0	0	0	0	111.4	S302 T323	S302-V304 PolarHBondContact O-N 3.35Å; S302-V304 WeakPolarHBondContact OG-CB 3.27Å; S302-V304 PolarHBondContact OG-N 2.76Å; V304-T323 HydrophobicContact CG2-CG2 4.06Å
305	Q	97.6	Very high	97.5	Very high	96 Å²	96	46.6 Å²	46.6	45%	0.449	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-29.7	178.8	-54.4	96.6	19.7	0	0	112.6	A301 S302	A301-Q305 HydrophobicContact CB-CB 4.07Å; S302-Q305 PolarHBondContact O-N 2.68Å; S302-Q305 PolarHBondContact OG-NE2 2.92Å; S302-Q305 PolarHBondContact OG-OE1 2.92Å
306	N	97.9	Very high	97.4	Very high	5 Å²	5	52.7 Å²	52.7	3%	0.027	28%	0.282	C	S	.	.			trans	-136.6	90.7	178.3	-174.5	16.9	0	0	0	110.3	K298 A301 S302 P303 D308 N309	K298-N306 WeakPolarHBondContact CE-OD1 3.1Å; K298-N306 HydrophobicContact CG-CB 3.93Å; K298-N306 PolarHBondContact O-ND2 2.85Å; A301-N306 HydrophobicContact CB-CB 4.07Å; S302-N306 PolarHBondContact O-N 2.96Å; P303-N306 WeakPolarHBondContact CA-O 3.29Å; P303-N306 CarbonylContact O-C 3.35Å; N306-D308 PolarHBondContact O-N 3.06Å; N306-N309 PolarHBondContact O-N 3.3Å
307	P	98	Very high	97.4	Very high	85 Å²	85	58 Å²	58	55%	0.552	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-54.1	-26.3	-177.7	-28.7	36.4	0	0	0	114.3	P303 N309 H310	P303-P307 WeakPolarHBondContact O-CA 3.29Å; P307-N309 PolarHBondContact O-N 2.88Å; P307-H310 PolarHBondContact O-N 3.2Å; P307-H310 PolarHBondContact O-ND1 3.33Å
308	D	97.4	Very high	97.3	Very high	96 Å²	96	56 Å²	56	51%	0.513	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-62.8	-24.5	178.5	-62.1	-27.9	0	0	0	112.4	Y242 N306 H310	Y242-D308 HydrophobicContact CE2-CB 4.43Å; Y242-D308 WeakPolarHBondContact CE2-O 3.39Å; Y242-D308 VanDerWaalsContact OH-C 3.26Å; Y242-D308 WeakPolarHBondContact OH-CA 3.47Å; Y242-D308 PolarHBondContact OH-O 3.08Å; N306-D308 PolarHBondContact O-N 3.06Å; D308-H310 VanDerWaalsContact C-N 3.28Å; D308-H310 PolarHBondContact O-N 3.31Å
309	N	98.1	Very high	97.3	Very high	12 Å²	12	51.6 Å²	51.6	6%	0.064	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-81.6	3.1	-179.1	-80.2	-12.9	0	0	0	114.3	K298 A299 A301 N306 P307 C311 F312	K298-N309 PolarHBondContact O-ND2 3.41Å; A299-N309 PolarHBondContact O-ND2 3.35Å; A299-N309 VanDerWaalsContact O-ND2 3.12Å; A301-N309 PolarHBondContact O-ND2 3.17Å; N306-N309 PolarHBondContact O-N 3.3Å; P307-N309 PolarHBondContact O-N 2.88Å; N309-C311 VanDerWaalsContact C-N 3.27Å; N309-C311 PolarHBondContact O-N 3.33Å; N309-F312 HydrophobicContact CB-CD2 4.46Å; N309-F312 PolarHBondContact O-N 2.85Å
310	H	97.6	Very high	97.3	Very high	97 Å²	97	56.9 Å²	56.9	45%	0.449	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-55.4	-39.3	-177	72.4	-94.4	0	0	0	113.7	Y242 P303 P307 D308 F312 C313	Y242-H310 AromaticContact CE1-CE1 3.88Å; Y242-H310 AromaticContact CZ-CE1 3.74Å; Y242-H310 PolarHBondContact OH-CE1 2.85Å; Y242-H310 PolarHBondContact OH-ND1 2.75Å; Y242-H310 VanDerWaalsContact OH-ND1 3.15Å; P303-H310 HydrophobicContact CB-CB 4.15Å; P303-H310 VanDerWaalsContact CG-CA 3.46Å; P303-H310 HydrophobicContact CG-CB 4.04Å; P307-H310 PolarHBondContact O-N 3.2Å; P307-H310 PolarHBondContact O-ND1 3.33Å; D308-H310 VanDerWaalsContact C-N 3.28Å; D308-H310 PolarHBondContact O-N 3.31Å; H310-F312 PolarHBondContact O-N 2.79Å; H310-C313 WeakPolarHBondContact O-CB 3.23Å; H310-C313 PolarHBondContact O-N 2.91Å; H310-C313 VanDerWaalsContact O-N 3.13Å
311	C	97.9	Very high	97.3	Very high	11 Å²	11	60 Å²	60	7%	0.074	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-78.1	-0.8	-179.3	42.1	0	0	0	0	114.6	E240 C243 N309	E240-C311 HydrophobicContact CB-CB 4.32Å; E240-C311 VanDerWaalsContact O-CB 3.24Å; E240-C311 WeakPolarHBondContact O-CB 3.48Å; C243-C311 HydrophobicContact CB-CB 3.65Å; C243-C311 WeakPolarHBondContact CB-SG 3.45Å; C243-C311 VanDerWaalsContact SG-CA 3.55Å; C243-C311 WeakPolarHBondContact SG-CB 3.26Å; C243-C311 CovalentContact SG-SG 2.02Å; C243-C311 PolarHBondContact SG-SG 2.97Å; N309-C311 VanDerWaalsContact C-N 3.27Å; N309-C311 PolarHBondContact O-N 3.33Å
312	F	98.1	Very high	97.2	Very high	23 Å²	23	60.5 Å²	60.5	10%	0.101	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-93.9	-8.5	166.9	-66.1	-64.7	0	0	0	113.1	W239 C243 R273 N309 H310 T314 L328	W239-F312 AromaticContact CD1-CE1 3.91Å; W239-F312 AromaticContact CD2-CD1 3.51Å; W239-F312 HydrophobicContact CD2-CD1 3.51Å; W239-F312 AromaticContact CD2-CE1 3.76Å; W239-F312 HydrophobicContact CD2-CE1 3.76Å; W239-F312 AromaticContact CE2-CD1 3.75Å; W239-F312 AromaticContact CE2-CE1 3.83Å; W239-F312 HydrophobicContact CE3-CB 4.49Å; W239-F312 AromaticContact CE3-CD1 3.6Å; W239-F312 HydrophobicContact CE3-CD1 3.6Å; W239-F312 HydrophobicContact CE3-CE1 4.32Å; W239-F312 HydrophobicContact CE3-CG 4.48Å; W239-F312 AromaticContact CG-CD1 4Å; W239-F312 HydrophobicContact CG-CD1 4Å; W239-F312 AromaticContact CG-CE1 3.81Å; W239-F312 HydrophobicContact CG-CE1 3.81Å; W239-F312 HydrophobicContact CH2-CD1 4.1Å; W239-F312 HydrophobicContact CZ2-CD1 4.05Å; W239-F312 HydrophobicContact CZ2-CE1 4.43Å; W239-F312 HydrophobicContact CZ3-CB 4.36Å; W239-F312 AromaticContact CZ3-CD1 3.89Å; W239-F312 HydrophobicContact CZ3-CD1 3.89Å; W239-F312 AromaticContact NE1-CE1 3.92Å; C243-F312 HydrophobicContact CB-CD1 4.01Å; C243-F312 HydrophobicContact CB-CD2 4.14Å; C243-F312 HydrophobicContact CB-CE1 3.55Å; C243-F312 HydrophobicContact CB-CE2 3.68Å; C243-F312 HydrophobicContact CB-CG 4.28Å; C243-F312 HydrophobicContact CB-CZ 3.37Å; C243-F312 WeakPolarHBondContact O-CE1 3.5Å; C243-F312 WeakPolarHBondContact O-CZ 3.18Å; C243-F312 WeakPolarHBondContact SG-CD2 3.3Å; C243-F312 WeakPolarHBondContact SG-CE2 3.23Å; R273-F312 HydrophobicContact CB-CE1 3.8Å; R273-F312 HydrophobicContact CB-CZ 4.31Å; R273-F312 HydrophobicContact CG-CE1 4.39Å; R273-F312 VanDerWaalsContact CZ-CD2 3.49Å; R273-F312 VanDerWaalsContact NE-CZ 3.3Å; R273-F312 VanDerWaalsContact NH1-CE2 3.28Å; N309-F312 HydrophobicContact CB-CD2 4.46Å; N309-F312 PolarHBondContact O-N 2.85Å; H310-F312 PolarHBondContact O-N 2.79Å; F312-T314 PolarHBondContact O-N 3.33Å; F312-L328 HydrophobicContact CB-CD1 3.95Å; F312-L328 HydrophobicContact CD1-CD1 4.13Å; F312-L328 HydrophobicContact CG-CD1 4.29Å
313	C	97.3	Very high	97.2	Very high	33 Å²	33	63.4 Å²	63.4	22%	0.223	34%	0.337	C	S	.	.			trans	-80.6	111.5	173	-173.7	0	0	0	0	110.1	H310 E315 C322	H310-C313 WeakPolarHBondContact O-CB 3.23Å; H310-C313 PolarHBondContact O-N 2.91Å; H310-C313 VanDerWaalsContact O-N 3.13Å; C313-E315 PolarHBondContact SG-O 3.16Å; C313-C322 HydrophobicContact CB-CB 3.81Å; C313-C322 WeakPolarHBondContact CB-SG 3.22Å; C313-C322 VanDerWaalsContact SG-CA 3.53Å; C313-C322 WeakPolarHBondContact SG-CB 3.35Å; C313-C322 CovalentContact SG-SG 2.03Å; C313-C322 PolarHBondContact SG-SG 3.23Å
314	T	96	Very high	97.2	Very high	68 Å²	68	62.5 Å²	62.5	42%	0.417	33%	0.332	S	S	.	.			trans	-87.1	-24.8	-171.9	55.9	0	0	0	0	114.1	W239 F312 D329	W239-T314 HydrophobicContact CZ3-CG2 3.78Å; F312-T314 PolarHBondContact O-N 3.33Å; T314-D329 HydrophobicContact CG2-CB 3.91Å; T314-D329 WeakPolarHBondContact OG1-CB 3.48Å; T314-D329 PolarHBondContact OG1-OD2 2.65Å
315	E	94.1	Very high	97.2	Very high	49 Å²	49	60.9 Å²	60.9	23%	0.229	32%	0.315	C	S	.	.			trans	-157	173.1	-175.5	63.1	79	-111	0	0	110.9	C313 I317 I318 S319	C313-E315 PolarHBondContact SG-O 3.16Å; E315-I317 PolarHBondContact OE1-N 3.17Å; E315-I317 WeakPolarHBondContact OE2-CA 3.33Å; E315-I317 WeakPolarHBondContact OE2-CB 3.42Å; E315-I317 PolarHBondContact OE2-N 3.34Å; E315-I318 VanDerWaalsContact OE1-CA 3.29Å; E315-I318 WeakPolarHBondContact OE1-CA 3.49Å; E315-I318 VanDerWaalsContact OE1-CB 3.23Å; E315-I318 WeakPolarHBondContact OE1-CB 3.18Å; E315-I318 PolarHBondContact OE1-N 3.26Å; E315-I318 PolarHBondContact OE2-N 2.76Å; E315-S319 WeakPolarHBondContact O-CB 3.35Å; E315-S319 PolarHBondContact O-OG 3.34Å; E315-S319 PolarHBondContact OE1-N 2.9Å
316	K	96.5	Very high	97.3	Very high	142 Å²	142	56.4 Å²	56.4	62%	0.617	29%	0.294	S	S	*	.	S	Bend	trans	-113.9	-5.4	-171.8	-66.5	-176.6	176.6	-173.1	0	115.3	S319 N321	K316-S319 WeakPolarHBondContact CA-OG 3.26Å; K316-N321 WeakPolarHBondContact CD-OD1 3.44Å; K316-N321 PolarHBondContact O-N 2.99Å
317	I	96.5	Very high	97.3	Very high	136 Å²	136	57.9 Å²	57.9	70%	0.697	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-53.3	-174.4	-58.6	174.4	0	0	0	110.2	E315	E315-I317 PolarHBondContact OE1-N 3.17Å; E315-I317 WeakPolarHBondContact OE2-CA 3.33Å; E315-I317 WeakPolarHBondContact OE2-CB 3.42Å; E315-I317 PolarHBondContact OE2-N 3.34Å
318	I	97	Very high	97.3	Very high	21 Å²	21	54.9 Å²	54.9	11%	0.108	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-40.9	177.8	-50.9	-58	0	0	0	110.3	E315 K320 Y340 L392 K394 N408 I410	E315-I318 VanDerWaalsContact OE1-CA 3.29Å; E315-I318 WeakPolarHBondContact OE1-CA 3.49Å; E315-I318 VanDerWaalsContact OE1-CB 3.23Å; E315-I318 WeakPolarHBondContact OE1-CB 3.18Å; E315-I318 PolarHBondContact OE1-N 3.26Å; E315-I318 PolarHBondContact OE2-N 2.76Å; I318-K320 PolarHBondContact O-N 2.87Å; I318-Y340 HydrophobicContact CG2-CE1 4.43Å; I318-L392 HydrophobicContact CD1-CD1 3.98Å; I318-L392 HydrophobicContact CD1-CD2 3.99Å; I318-L392 HydrophobicContact CG1-CD1 4.48Å; I318-L392 HydrophobicContact CG1-CD2 3.78Å; I318-L392 HydrophobicContact CG2-CD1 4.41Å; I318-L392 HydrophobicContact CG2-CD2 4.46Å; I318-K394 HydrophobicContact CD1-CD 4.45Å; I318-N408 HydrophobicContact CD1-CB 4Å; I318-N408 VanDerWaalsContact CD1-ND2 3.3Å; I318-N408 WeakPolarHBondContact CD1-ND2 3.35Å; I318-I410 HydrophobicContact CG2-CD1 4.11Å; I318-I410 HydrophobicContact CG2-CG1 4.48Å
319	S	96.7	Very high	97.4	Very high	18 Å²	18	51 Å²	51	13%	0.126	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-2.9	178.5	75.7	0	0	0	0	114.5	E315 K316 C322 T323 S324	E315-S319 WeakPolarHBondContact O-CB 3.35Å; E315-S319 PolarHBondContact O-OG 3.34Å; E315-S319 PolarHBondContact OE1-N 2.9Å; K316-S319 WeakPolarHBondContact CA-OG 3.26Å; S319-C322 PolarHBondContact O-N 3.24Å; S319-C322 PolarHBondContact OG-N 2.96Å; S319-T323 PolarHBondContact O-N 3.4Å; S319-S324 PolarHBondContact O-N 3.43Å; S319-S324 PolarHBondContact O-OG 3.12Å
320	K	96.9	Very high	97.4	Very high	111 Å²	111	50.5 Å²	50.5	48%	0.483	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	56.5	-175	-58.5	-175.7	-178.6	-176.4	0	112.5	I318 T323 D352	I318-K320 PolarHBondContact O-N 2.87Å; K320-T323 WeakPolarHBondContact O-CG2 3.48Å; K320-T323 PolarHBondContact O-OG1 2.88Å; K320-D352 WeakPolarHBondContact CD-OD2 3.34Å; K320-D352 VanDerWaalsContact CE-OD2 3.25Å; K320-D352 WeakPolarHBondContact CE-OD2 3.09Å; K320-D352 IonicContact NZ-OD2 3.44Å; K320-D352 PolarHBondContact NZ-OD2 2.84Å
321	N	97.3	Very high	97.4	Very high	104 Å²	104	46.9 Å²	46.9	56%	0.556	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.1	44.9	-174.3	-165.3	41	0	0	0	112.7	K316 T323	K316-N321 WeakPolarHBondContact CD-OD1 3.44Å; K316-N321 PolarHBondContact O-N 2.99Å; N321-T323 VanDerWaalsContact C-N 3.35Å; N321-T323 PolarHBondContact O-N 2.9Å
322	C	97.3	Very high	97.4	Very high	26 Å²	26	52.4 Å²	52.4	18%	0.176	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	38	179.2	-52.6	0	0	0	0	114.1	P303 C313 S319	P303-C322 WeakPolarHBondContact CD-O 3.32Å; P303-C322 HydrophobicContact CG-CB 4.18Å; C313-C322 HydrophobicContact CB-CB 3.81Å; C313-C322 WeakPolarHBondContact CB-SG 3.22Å; C313-C322 VanDerWaalsContact SG-CA 3.53Å; C313-C322 WeakPolarHBondContact SG-CB 3.35Å; C313-C322 CovalentContact SG-SG 2.03Å; C313-C322 PolarHBondContact SG-SG 3.23Å; S319-C322 PolarHBondContact O-N 3.24Å; S319-C322 PolarHBondContact OG-N 2.96Å
323	T	97.7	Very high	97.3	Very high	62 Å²	62	52.5 Å²	52.5	38%	0.38	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-25.1	174.5	64.8	0	0	0	0	113.2	S302 V304 S319 K320 N321	S302-T323 WeakPolarHBondContact CB-O 3.3Å; V304-T323 HydrophobicContact CG2-CG2 4.06Å; S319-T323 PolarHBondContact O-N 3.4Å; K320-T323 WeakPolarHBondContact O-CG2 3.48Å; K320-T323 PolarHBondContact O-OG1 2.88Å; N321-T323 VanDerWaalsContact C-N 3.35Å; N321-T323 PolarHBondContact O-N 2.9Å
324	S	97.9	Very high	97.3	Very high	15 Å²	15	54.5 Å²	54.5	11%	0.105	28%	0.276	C	S	.	.			trans	-71.1	149	174.4	-50.7	0	0	0	0	110.6	S319 S350 D352	S319-S324 PolarHBondContact O-N 3.43Å; S319-S324 PolarHBondContact O-OG 3.12Å; S324-S350 WeakPolarHBondContact CA-OG 3.03Å; S324-D352 PolarHBondContact OG-OD2 2.88Å
325	Y	98.3	Very high	97.3	Very high	69 Å²	69	58.8 Å²	58.8	27%	0.271	29%	0.291	S	S	.	.			trans	-147.7	171.8	-173.7	59.5	-97.1	0	0	0	113.2	F300 S302 V327 Y348 A349 S350	F300-Y325 WeakPolarHBondContact O-CB 3.39Å; S302-Y325 VanDerWaalsContact N-CB 3.26Å; Y325-V327 VanDerWaalsContact C-N 3.3Å; Y325-Y348 WeakPolarHBondContact CD2-O 3.3Å; Y325-Y348 WeakPolarHBondContact CE2-O 3.4Å; Y325-A349 VanDerWaalsContact CE2-C 3.49Å; Y325-A349 VanDerWaalsContact O-CA 3.27Å; Y325-A349 WeakPolarHBondContact O-CA 3.28Å; Y325-A349 WeakPolarHBondContact O-CB 3.29Å; Y325-S350 VanDerWaalsContact CE1-CB 3.48Å; Y325-S350 PolarHBondContact N-OG 2.91Å; Y325-S350 VanDerWaalsContact N-OG 3.16Å; Y325-S350 PolarHBondContact O-N 3.36Å
326	G	97.9	Very high	97.4	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.01	30%	0.295	C	S	.	.	S	Bend	trans	80.6	5.1	-175.7	0	0	0	0	0	115.3	F300 S342	F300-G326 PolarHBondContact O-N 3.29Å; G326-S342 WeakPolarHBondContact O-CA 3.23Å; G326-S342 WeakPolarHBondContact O-CB 3.45Å
327	V	98.3	Very high	97.5	Very high	37 Å²	37	54.4 Å²	54.4	22%	0.224	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	146.7	176.8	-66	0	0	0	0	110.4	Y325 Y340 I341 F346 V353 I410	Y325-V327 VanDerWaalsContact C-N 3.3Å; V327-Y340 HydrophobicContact CB-CD1 4.18Å; V327-Y340 HydrophobicContact CG2-CD1 4.28Å; V327-I341 CarbonylContact C-O 3.59Å; V327-I341 VanDerWaalsContact CA-O 3.31Å; V327-I341 WeakPolarHBondContact CA-O 3.29Å; V327-F346 HydrophobicContact CG1-CD1 4.25Å; V327-F346 HydrophobicContact CG1-CE1 4.22Å; V327-V353 HydrophobicContact CG1-CG1 3.55Å; V327-V353 HydrophobicContact CG1-CG2 4.2Å; V327-V353 HydrophobicContact CG2-CG2 4.19Å; V327-I410 HydrophobicContact CG1-CD1 4.47Å; V327-I410 HydrophobicContact CG2-CD1 4.31Å
328	L	98.6	Very high	97.5	Very high	21 Å²	21	48 Å²	48	11%	0.11	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	117.2	179.3	-176	71.2	0	0	0	109.9	W239 R273 F312 I330 Y340 I341	W239-L328 HydrophobicContact CH2-CD1 3.53Å; W239-L328 HydrophobicContact CH2-CD2 4.33Å; W239-L328 HydrophobicContact CH2-CG 3.88Å; W239-L328 HydrophobicContact CZ2-CD1 4.11Å; W239-L328 HydrophobicContact CZ2-CD2 4.23Å; W239-L328 HydrophobicContact CZ2-CG 4.28Å; W239-L328 HydrophobicContact CZ3-CD1 4.15Å; R273-L328 VanDerWaalsContact CD-CD2 3.49Å; R273-L328 HydrophobicContact CG-CD2 4Å; F312-L328 HydrophobicContact CB-CD1 3.95Å; F312-L328 HydrophobicContact CD1-CD1 4.13Å; F312-L328 HydrophobicContact CG-CD1 4.29Å; L328-I330 HydrophobicContact CD2-CG2 3.72Å; L328-I330 HydrophobicContact CG-CG2 3.83Å; L328-I330 PolarHBondContact O-N 2.99Å; L328-Y340 CarbonylContact O-C 3.54Å; L328-Y340 VanDerWaalsContact O-CA 3.29Å; L328-Y340 WeakPolarHBondContact O-CA 3.32Å; L328-I341 PolarHBondContact N-O 3.29Å; L328-I341 PolarHBondContact O-N 3.19Å
329	D	98.5	Very high	97.6	Very high	15 Å²	15	47.8 Å²	47.8	8%	0.08	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	108.4	173.3	-178.2	-7.3	0	0	0	110.2	W239 T314 S331 Y340	W239-D329 WeakPolarHBondContact CH2-O 3.02Å; T314-D329 HydrophobicContact CG2-CB 3.91Å; T314-D329 WeakPolarHBondContact OG1-CB 3.48Å; T314-D329 PolarHBondContact OG1-OD2 2.65Å; D329-S331 WeakPolarHBondContact OD1-CB 3.18Å; D329-S331 PolarHBondContact OD1-N 2.96Å; D329-S331 PolarHBondContact OD1-OG 2.92Å; D329-Y340 HydrophobicContact CB-CD1 4.2Å; D329-Y340 HydrophobicContact CB-CE1 3.68Å; D329-Y340 HydrophobicContact CB-CE2 4.08Å; D329-Y340 PolarHBondContact OD2-OH 3.21Å; D329-Y340 VanDerWaalsContact OD2-OH 3.08Å
330	I	98.3	Very high	97.7	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.01	24%	0.243	C	C	.	.			trans	-105.6	20.3	-180	65.2	160.4	0	0	0	112.2	W239 L328 K332 C333 K334 V339 I341	W239-I330 HydrophobicContact CZ2-CG2 4.48Å; L328-I330 HydrophobicContact CD2-CG2 3.72Å; L328-I330 HydrophobicContact CG-CG2 3.83Å; L328-I330 PolarHBondContact O-N 2.99Å; I330-K332 PolarHBondContact O-N 3.14Å; I330-K332 VanDerWaalsContact O-N 3.13Å; I330-C333 PolarHBondContact O-N 2.91Å; I330-C333 VanDerWaalsContact O-N 3.09Å; I330-C333 PolarHBondContact O-SG 2.81Å; I330-K334 HydrophobicContact CD1-CD 4.42Å; I330-K334 HydrophobicContact CD1-CG 3.92Å; I330-K334 HydrophobicContact CG1-CG 4.12Å; I330-K334 PolarHBondContact O-N 3.33Å; I330-V339 HydrophobicContact CD1-CB 4.4Å; I330-V339 HydrophobicContact CD1-CG1 3.84Å; I330-V339 HydrophobicContact CG1-CB 3.94Å; I330-V339 HydrophobicContact CG1-CG1 3.8Å; I330-V339 WeakPolarHBondContact CG1-O 3.47Å; I330-V339 PolarHBondContact N-O 3.2Å; I330-I341 HydrophobicContact CD1-CD1 3.84Å; I330-I341 HydrophobicContact CD1-CG1 3.51Å; I330-I341 HydrophobicContact CG1-CG1 3.95Å; I330-I341 HydrophobicContact CG2-CG1 4.17Å
331	S	98	Very high	97.8	Very high	20 Å²	20	43 Å²	43	14%	0.14	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-53.6	-36.7	-176.3	55.1	0	0	0	0	113.5	D329 C333 K334 E335 G336 K337	D329-S331 WeakPolarHBondContact OD1-CB 3.18Å; D329-S331 PolarHBondContact OD1-N 2.96Å; D329-S331 PolarHBondContact OD1-OG 2.92Å; S331-C333 VanDerWaalsContact C-N 3.32Å; S331-C333 PolarHBondContact O-N 2.98Å; S331-K334 CarbonylContact O-C 3.5Å; S331-K334 WeakPolarHBondContact O-CA 3.46Å; S331-K334 PolarHBondContact O-N 3.09Å; S331-E335 PolarHBondContact O-N 3.09Å; S331-G336 WeakPolarHBondContact O-CA 3.46Å; S331-G336 PolarHBondContact O-N 3.35Å; S331-K337 WeakPolarHBondContact CA-O 3.44Å; S331-K337 WeakPolarHBondContact CB-O 3.43Å
332	K	97.4	Very high	97.9	Very high	127 Å²	127	38.1 Å²	38.1	55%	0.552	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-62.8	-33.5	-179.8	-167.2	163.2	164	-163.4	0	113.7	S237 Y238 I330	S237-K332 WeakPolarHBondContact O-CE 3.38Å; S237-K332 PolarHBondContact O-NZ 2.96Å; Y238-K332 HydrophobicContact CD1-CG 4.21Å; Y238-K332 WeakPolarHBondContact O-CD 3.25Å; Y238-K332 WeakPolarHBondContact O-CE 3.32Å; Y238-K332 PolarHBondContact O-NZ 3.41Å; I330-K332 PolarHBondContact O-N 3.14Å; I330-K332 VanDerWaalsContact O-N 3.13Å
333	C	97.1	Very high	97.9	Very high	25 Å²	25	37.2 Å²	37.2	17%	0.169	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-90.1	-0.6	173.7	75.8	0	0	0	0	113.5	Y238 C272 I330 S331	Y238-C333 HydrophobicContact CD1-CB 4.17Å; Y238-C333 HydrophobicContact CD2-CB 3.81Å; Y238-C333 HydrophobicContact CE1-CB 3.89Å; Y238-C333 HydrophobicContact CE2-CB 3.51Å; Y238-C333 HydrophobicContact CG-CB 4.16Å; C272-C333 HydrophobicContact CB-CB 3.63Å; C272-C333 WeakPolarHBondContact CB-SG 3.45Å; C272-C333 WeakPolarHBondContact SG-CB 3.33Å; C272-C333 CovalentContact SG-SG 2.02Å; C272-C333 PolarHBondContact SG-SG 3.34Å; I330-C333 PolarHBondContact O-N 2.91Å; I330-C333 VanDerWaalsContact O-N 3.09Å; I330-C333 PolarHBondContact O-SG 2.81Å; S331-C333 VanDerWaalsContact C-N 3.32Å; S331-C333 PolarHBondContact O-N 2.98Å
334	K	97.2	Very high	98	Very high	75 Å²	75	34.2 Å²	34.2	33%	0.326	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-116.3	30	178	-59.8	-61.2	178.7	-176.6	0	112.1	I330 S331 G336 K337 V339	I330-K334 HydrophobicContact CD1-CD 4.42Å; I330-K334 HydrophobicContact CD1-CG 3.92Å; I330-K334 HydrophobicContact CG1-CG 4.12Å; I330-K334 PolarHBondContact O-N 3.33Å; S331-K334 CarbonylContact O-C 3.5Å; S331-K334 WeakPolarHBondContact O-CA 3.46Å; S331-K334 PolarHBondContact O-N 3.09Å; K334-G336 VanDerWaalsContact C-N 3.28Å; K334-G336 PolarHBondContact O-N 2.9Å; K334-K337 HydrophobicContact CB-CB 4.34Å; K334-K337 VanDerWaalsContact O-CB 3.31Å; K334-K337 WeakPolarHBondContact O-CB 3.2Å; K334-K337 WeakPolarHBondContact O-CE 3.41Å; K334-K337 WeakPolarHBondContact O-CG 3.27Å; K334-K337 PolarHBondContact O-N 2.84Å; K334-K337 VanDerWaalsContact O-N 3.14Å; K334-K337 PolarHBondContact O-NZ 2.99Å; K334-V339 HydrophobicContact CB-CG2 4.12Å; K334-V339 HydrophobicContact CG-CB 4.18Å; K334-V339 HydrophobicContact CG-CG2 4.1Å
335	E	95.1	Very high	98	Very high	158 Å²	158	33.8 Å²	33.8	74%	0.738	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.5	40.5	177.1	-53.3	157.3	-169.8	0	0	112.4	S331 K337	S331-E335 PolarHBondContact O-N 3.09Å; E335-K337 PolarHBondContact O-N 3.45Å; E335-K337 IonicContact OE2-NZ 3.26Å; E335-K337 PolarHBondContact OE2-NZ 2.87Å
336	G	96.6	Very high	98	Very high	30 Å²	30	30.9 Å²	30.9	31%	0.309	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.5	-3	179.4	0	0	0	0	0	115.1	I148 S331 K334	I148-G336 WeakPolarHBondContact CG1-O 3.31Å; S331-G336 WeakPolarHBondContact O-CA 3.46Å; S331-G336 PolarHBondContact O-N 3.35Å; K334-G336 VanDerWaalsContact C-N 3.28Å; K334-G336 PolarHBondContact O-N 2.9Å
337	K	97.9	Very high	98.1	Very high	70 Å²	70	31.5 Å²	31.5	30%	0.304	16%	0.161	S	C	.	.			trans	-62.8	135.2	173.8	-66.9	-179.8	-82.5	-68.9	0	109.4	A144 I148 S331 K334 E335 V339	A144-K337 HydrophobicContact CB-CB 4.47Å; A144-K337 HydrophobicContact CB-CG 4.14Å; I148-K337 HydrophobicContact CD1-CG 3.98Å; S331-K337 WeakPolarHBondContact CA-O 3.44Å; S331-K337 WeakPolarHBondContact CB-O 3.43Å; K334-K337 HydrophobicContact CB-CB 4.34Å; K334-K337 VanDerWaalsContact O-CB 3.31Å; K334-K337 WeakPolarHBondContact O-CB 3.2Å; K334-K337 WeakPolarHBondContact O-CE 3.41Å; K334-K337 WeakPolarHBondContact O-CG 3.27Å; K334-K337 PolarHBondContact O-N 2.84Å; K334-K337 VanDerWaalsContact O-N 3.14Å; K334-K337 PolarHBondContact O-NZ 2.99Å; E335-K337 PolarHBondContact O-N 3.45Å; E335-K337 IonicContact OE2-NZ 3.26Å; E335-K337 PolarHBondContact OE2-NZ 2.87Å; K337-V339 HydrophobicContact CB-CG2 4.17Å; K337-V339 PolarHBondContact O-N 2.84Å
338	P	98	Very high	98	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.162	C	C	.	.			trans	-79.7	59.5	-169.8	34.5	-38.6	0	0	0	113.1	H147 L391 L392	H147-P338 HydrophobicContact CB-CB 4.08Å; H147-P338 HydrophobicContact CB-CG 3.75Å; H147-P338 WeakPolarHBondContact ND1-CB 3.35Å; P338-L391 HydrophobicContact CG-CD1 4.43Å; P338-L391 HydrophobicContact CG-CG 4.26Å; P338-L391 WeakPolarHBondContact O-CA 3.43Å; P338-L392 HydrophobicContact CB-CB 4.12Å; P338-L392 WeakPolarHBondContact CG-O 3.43Å; P338-L392 PolarHBondContact O-N 3.23Å
339	V	98.7	Very high	98	Very high	18 Å²	18	32.4 Å²	32.4	11%	0.109	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	126.1	-177.5	-177.4	0	0	0	0	110	I330 K334 K337 I341 V389 N390 L391	I330-V339 HydrophobicContact CD1-CB 4.4Å; I330-V339 HydrophobicContact CD1-CG1 3.84Å; I330-V339 HydrophobicContact CG1-CB 3.94Å; I330-V339 HydrophobicContact CG1-CG1 3.8Å; I330-V339 WeakPolarHBondContact CG1-O 3.47Å; I330-V339 PolarHBondContact N-O 3.2Å; K334-V339 HydrophobicContact CB-CG2 4.12Å; K334-V339 HydrophobicContact CG-CB 4.18Å; K334-V339 HydrophobicContact CG-CG2 4.1Å; K337-V339 HydrophobicContact CB-CG2 4.17Å; K337-V339 PolarHBondContact O-N 2.84Å; V339-I341 HydrophobicContact CG1-CD1 4.3Å; V339-V389 HydrophobicContact CG1-CG1 3.84Å; V339-N390 WeakPolarHBondContact CA-O 3.22Å; V339-L391 HydrophobicContact CB-CD1 4.41Å; V339-L391 HydrophobicContact CG2-CD1 3.71Å
340	Y	98.8	Very high	97.9	Very high	10 Å²	10	31.9 Å²	31.9	4%	0.039	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	127.6	175.8	-79.8	-111.3	0	0	0	109.3	I318 V327 L328 D329 N390 L392 I410	I318-Y340 HydrophobicContact CG2-CE1 4.43Å; V327-Y340 HydrophobicContact CB-CD1 4.18Å; V327-Y340 HydrophobicContact CG2-CD1 4.28Å; L328-Y340 CarbonylContact O-C 3.54Å; L328-Y340 VanDerWaalsContact O-CA 3.29Å; L328-Y340 WeakPolarHBondContact O-CA 3.32Å; D329-Y340 HydrophobicContact CB-CD1 4.2Å; D329-Y340 HydrophobicContact CB-CE1 3.68Å; D329-Y340 HydrophobicContact CB-CE2 4.08Å; D329-Y340 PolarHBondContact OD2-OH 3.21Å; D329-Y340 VanDerWaalsContact OD2-OH 3.08Å; Y340-N390 PolarHBondContact N-O 2.92Å; Y340-N390 WeakPolarHBondContact O-CA 3.43Å; Y340-N390 VanDerWaalsContact O-CB 3.31Å; Y340-N390 WeakPolarHBondContact O-CB 3.23Å; Y340-N390 PolarHBondContact O-N 3.1Å; Y340-N390 PolarHBondContact O-ND2 3.06Å; Y340-L392 HydrophobicContact CD2-CB 3.89Å; Y340-L392 HydrophobicContact CE2-CB 3.74Å; Y340-L392 HydrophobicContact CE2-CD2 3.82Å; Y340-L392 HydrophobicContact CE2-CG 4.43Å; Y340-I410 HydrophobicContact CD1-CD1 4.13Å; Y340-I410 HydrophobicContact CE1-CD1 4.37Å; Y340-I410 HydrophobicContact CG-CG2 4.49Å
341	I	98.6	Very high	97.8	Very high	17 Å²	17	36.2 Å²	36.2	9%	0.087	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	139.2	173.7	-58.3	-58.4	0	0	0	109.7	I271 V327 L328 I330 V339 L387 Q388 V389	I271-I341 HydrophobicContact CG2-CG1 4.48Å; I271-I341 HydrophobicContact CG2-CG2 3.89Å; V327-I341 CarbonylContact C-O 3.59Å; V327-I341 VanDerWaalsContact CA-O 3.31Å; V327-I341 WeakPolarHBondContact CA-O 3.29Å; L328-I341 PolarHBondContact N-O 3.29Å; L328-I341 PolarHBondContact O-N 3.19Å; I330-I341 HydrophobicContact CD1-CD1 3.84Å; I330-I341 HydrophobicContact CD1-CG1 3.51Å; I330-I341 HydrophobicContact CG1-CG1 3.95Å; I330-I341 HydrophobicContact CG2-CG1 4.17Å; V339-I341 HydrophobicContact CG1-CD1 4.3Å; I341-L387 HydrophobicContact CG2-CB 4.38Å; I341-Q388 WeakPolarHBondContact CA-O 3.11Å; I341-V389 HydrophobicContact CD1-CB 4.49Å; I341-V389 HydrophobicContact CD1-CG1 4.26Å; I341-V389 HydrophobicContact CD1-CG2 4.15Å
342	S	98.8	Very high	97.7	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	-179.3	171.4	64.8	0	0	0	0	110.5	G326 F346 Q388 N390	G326-S342 WeakPolarHBondContact O-CA 3.23Å; G326-S342 WeakPolarHBondContact O-CB 3.45Å; S342-F346 VanDerWaalsContact OG-CD1 3.29Å; S342-F346 WeakPolarHBondContact OG-CD1 3.46Å; S342-F346 WeakPolarHBondContact OG-CE1 3.4Å; S342-Q388 PolarHBondContact N-O 2.78Å; S342-Q388 PolarHBondContact O-N 2.93Å; S342-Q388 WeakPolarHBondContact OG-CB 3.37Å; S342-Q388 PolarHBondContact OG-NE2 2.88Å; S342-N390 PolarHBondContact OG-ND2 2.85Å
343	L	98.7	Very high	97.7	Very high	6 Å²	6	31.4 Å²	31.4	3%	0.031	17%	0.168	C	C	.	.			trans	-78.3	159	160.7	-63.6	-175.7	0	0	0	110.5	F300 F346 L347 Y348 R386	F300-L343 HydrophobicContact CD2-CD1 4.31Å; F300-L343 HydrophobicContact CE1-CD2 4.36Å; F300-L343 HydrophobicContact CE1-CG 4.46Å; F300-L343 HydrophobicContact CE2-CD1 3.86Å; F300-L343 HydrophobicContact CE2-CD2 4.31Å; F300-L343 HydrophobicContact CE2-CG 4.19Å; F300-L343 HydrophobicContact CZ-CD1 4.21Å; F300-L343 HydrophobicContact CZ-CD2 3.83Å; F300-L343 HydrophobicContact CZ-CG 4.07Å; L343-F346 WeakPolarHBondContact O-CA 3.25Å; L343-F346 PolarHBondContact O-N 2.83Å; L343-F346 VanDerWaalsContact O-N 3.09Å; L343-L347 HydrophobicContact CB-CB 3.86Å; L343-L347 HydrophobicContact CD1-CB 4.29Å; L343-L347 HydrophobicContact CD1-CD2 4Å; L343-L347 HydrophobicContact CD1-CG 4.2Å; L343-Y348 HydrophobicContact CD1-CD2 3.56Å; L343-Y348 HydrophobicContact CD1-CE2 4.05Å; L343-Y348 HydrophobicContact CD1-CG 4.45Å; L343-R386 WeakPolarHBondContact CD2-O 3.27Å
344	P	98.8	Very high	97.5	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-54.3	140.3	176.8	-21.5	30.4	0	0	0	112.8	F346 L347 H367 R386 W415	P344-F346 PolarHBondContact O-N 2.86Å; P344-F346 VanDerWaalsContact O-N 3.09Å; P344-L347 WeakPolarHBondContact O-CB 3.4Å; P344-L347 PolarHBondContact O-N 2.95Å; P344-H367 HydrophobicContact CB-CB 3.82Å; P344-H367 WeakPolarHBondContact CD-O 3.32Å; P344-H367 HydrophobicContact CG-CB 4.06Å; P344-R386 HydrophobicContact CG-CB 3.91Å; P344-W415 HydrophobicContact CB-CB 3.88Å; P344-W415 HydrophobicContact CB-CD2 3.76Å; P344-W415 HydrophobicContact CB-CE3 3.88Å; P344-W415 HydrophobicContact CB-CG 3.78Å; P344-W415 HydrophobicContact CG-CB 4.11Å; P344-W415 HydrophobicContact CG-CD2 4.06Å; P344-W415 HydrophobicContact CG-CE3 3.68Å; P344-W415 HydrophobicContact CG-CG 4.28Å; P344-W415 HydrophobicContact CG-CZ3 4.37Å
345	H	98.7	Very high	97.5	Very high	6 Å²	6	34.9 Å²	34.9	3%	0.028	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	54.4	24.5	-175.3	-66.9	-98.1	0	0	0	114.2	F68 Q87 L347 L360 N361 P362 H367 W415	F68-H345 AromaticContact CE1-CE1 3.72Å; F68-H345 AromaticContact CZ-NE2 3.91Å; Q87-H345 PolarHBondContact OE1-NE2 2.84Å; H345-L347 VanDerWaalsContact C-N 3.26Å; H345-L347 PolarHBondContact O-N 2.78Å; H345-L360 HydrophobicContact CB-CB 4.41Å; H345-L360 WeakPolarHBondContact ND1-CA 3.49Å; H345-N361 PolarHBondContact ND1-N 3.05Å; H345-P362 HydrophobicContact CB-CB 4.1Å; H345-H367 AromaticContact CD2-CE1 3.19Å; H345-H367 PolarHBondContact CD2-CE1 3.04Å; H345-H367 AromaticContact CD2-ND1 3.89Å; H345-H367 AromaticContact CD2-NE2 3.35Å; H345-H367 PolarHBondContact CD2-NE2 3.35Å; H345-H367 VanDerWaalsContact CD2-NE2 3.35Å; H345-H367 AromaticContact CG-CE1 3.62Å; H345-H367 AromaticContact NE2-NE2 3.98Å; H345-W415 AromaticContact CD2-NE1 3.97Å; H345-W415 AromaticContact NE2-NE1 3.57Å
346	F	98.7	Very high	97.5	Very high	8 Å²	8	28 Å²	28	4%	0.035	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	56.6	37	-173.6	-59.4	-58.1	0	0	0	113.4	V327 S342 L343 P344 Y348 A349 V353 I357 L360 Q388 N390 I410 P412	V327-F346 HydrophobicContact CG1-CD1 4.25Å; V327-F346 HydrophobicContact CG1-CE1 4.22Å; S342-F346 VanDerWaalsContact OG-CD1 3.29Å; S342-F346 WeakPolarHBondContact OG-CD1 3.46Å; S342-F346 WeakPolarHBondContact OG-CE1 3.4Å; L343-F346 WeakPolarHBondContact O-CA 3.25Å; L343-F346 PolarHBondContact O-N 2.83Å; L343-F346 VanDerWaalsContact O-N 3.09Å; P344-F346 PolarHBondContact O-N 2.86Å; P344-F346 VanDerWaalsContact O-N 3.09Å; F346-Y348 PolarHBondContact O-N 2.89Å; F346-A349 HydrophobicContact CB-CB 3.73Å; F346-A349 VanDerWaalsContact O-CB 3.24Å; F346-A349 WeakPolarHBondContact O-CB 3.26Å; F346-A349 PolarHBondContact O-N 3.16Å; F346-V353 HydrophobicContact CD1-CG1 3.68Å; F346-V353 HydrophobicContact CD2-CG1 4.2Å; F346-V353 HydrophobicContact CE1-CG1 3.76Å; F346-V353 HydrophobicContact CE2-CG1 4.29Å; F346-V353 HydrophobicContact CG-CG1 3.94Å; F346-V353 HydrophobicContact CZ-CG1 4.1Å; F346-I357 HydrophobicContact CE2-CG1 4.22Å; F346-L360 HydrophobicContact CD2-CD1 3.33Å; F346-L360 HydrophobicContact CE2-CD1 3.72Å; F346-L360 HydrophobicContact CG-CD1 4.45Å; F346-Q388 VanDerWaalsContact CE1-NE2 3.26Å; F346-N390 VanDerWaalsContact CE1-OD1 3.23Å; F346-N390 WeakPolarHBondContact CE1-OD1 3.47Å; F346-N390 VanDerWaalsContact CZ-OD1 3.29Å; F346-N390 WeakPolarHBondContact CZ-OD1 3.5Å; F346-I410 HydrophobicContact CE1-CG2 4.19Å; F346-I410 HydrophobicContact CZ-CG2 4.12Å; F346-P412 HydrophobicContact CE2-CB 4.46Å; F346-P412 HydrophobicContact CE2-CG 4.38Å; F346-P412 HydrophobicContact CZ-CB 4.24Å
347	L	98.6	Very high	97.6	Very high	14 Å²	14	27 Å²	27	7%	0.073	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.5	132.9	169.8	178.3	69.8	0	0	0	110.2	L343 P344 H345 A349 P362 E364 H367 R368	L343-L347 HydrophobicContact CB-CB 3.86Å; L343-L347 HydrophobicContact CD1-CB 4.29Å; L343-L347 HydrophobicContact CD1-CD2 4Å; L343-L347 HydrophobicContact CD1-CG 4.2Å; P344-L347 WeakPolarHBondContact O-CB 3.4Å; P344-L347 PolarHBondContact O-N 2.95Å; H345-L347 VanDerWaalsContact C-N 3.26Å; H345-L347 PolarHBondContact O-N 2.78Å; L347-A349 PolarHBondContact O-N 3.24Å; L347-P362 HydrophobicContact CB-CB 4.34Å; L347-P362 HydrophobicContact CD1-CB 4.34Å; L347-E364 HydrophobicContact CD1-CB 4.45Å; L347-H367 HydrophobicContact CB-CB 4.13Å; L347-H367 HydrophobicContact CD2-CB 3.84Å; L347-R368 HydrophobicContact CD2-CB 4.39Å
348	Y	97.9	Very high	97.6	Very high	59 Å²	59	26.7 Å²	26.7	23%	0.231	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	14.5	-174.8	-51	-36.9	0	0	0	116.3	F300 Y325 L343 F346 E364	F300-Y348 HydrophobicContact CD2-CD2 4.42Å; Y325-Y348 WeakPolarHBondContact CD2-O 3.3Å; Y325-Y348 WeakPolarHBondContact CE2-O 3.4Å; L343-Y348 HydrophobicContact CD1-CD2 3.56Å; L343-Y348 HydrophobicContact CD1-CE2 4.05Å; L343-Y348 HydrophobicContact CD1-CG 4.45Å; F346-Y348 PolarHBondContact O-N 2.89Å; Y348-E364 VanDerWaalsContact OH-CG 3.32Å; Y348-E364 WeakPolarHBondContact OH-CG 3.45Å; Y348-E364 PolarHBondContact OH-OE1 3.22Å
349	A	98.1	Very high	97.6	Very high	18 Å²	18	29 Å²	29	15%	0.149	17%	0.169	C	C	.	.			trans	-86.5	160.6	173.3	0	0	0	0	0	113.8	Y325 F346 L347 V353	Y325-A349 VanDerWaalsContact CE2-C 3.49Å; Y325-A349 VanDerWaalsContact O-CA 3.27Å; Y325-A349 WeakPolarHBondContact O-CA 3.28Å; Y325-A349 WeakPolarHBondContact O-CB 3.29Å; F346-A349 HydrophobicContact CB-CB 3.73Å; F346-A349 VanDerWaalsContact O-CB 3.24Å; F346-A349 WeakPolarHBondContact O-CB 3.26Å; F346-A349 PolarHBondContact O-N 3.16Å; L347-A349 PolarHBondContact O-N 3.24Å; A349-V353 HydrophobicContact CB-CB 4.22Å; A349-V353 HydrophobicContact CB-CG1 4.31Å
350	S	96.9	Very high	97.6	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.021	17%	0.17	C	C	.	.			trans	-70.6	146.9	173.5	58.6	0	0	0	0	110.8	S324 Y325 D352 V353	S324-S350 WeakPolarHBondContact CA-OG 3.03Å; Y325-S350 VanDerWaalsContact CE1-CB 3.48Å; Y325-S350 PolarHBondContact N-OG 2.91Å; Y325-S350 VanDerWaalsContact N-OG 3.16Å; Y325-S350 PolarHBondContact O-N 3.36Å; S350-D352 WeakPolarHBondContact CB-OD1 3.45Å; S350-D352 PolarHBondContact O-N 2.88Å; S350-D352 VanDerWaalsContact O-N 3.1Å; S350-D352 PolarHBondContact OG-OD1 3.03Å; S350-V353 WeakPolarHBondContact O-CB 3.33Å; S350-V353 PolarHBondContact O-N 3.47Å
351	P	96	Very high	97.5	Very high	94 Å²	94	34.7 Å²	34.7	61%	0.61	20%	0.199	S	C	*	.	H	α-helix	trans	-55.9	-32	-175.7	-28.3	35.7	0	0	0	114.3	V353 S354 E355	P351-V353 PolarHBondContact O-N 3.14Å; P351-S354 PolarHBondContact O-N 3.37Å; P351-S354 PolarHBondContact O-OG 3.27Å; P351-E355 VanDerWaalsContact O-CB 3.32Å; P351-E355 WeakPolarHBondContact O-CB 3.29Å; P351-E355 PolarHBondContact O-N 3.14Å
352	D	95.6	Very high	97.5	Very high	40 Å²	40	37.4 Å²	37.4	21%	0.214	22%	0.218	C	C	.	.	H	α-helix	trans	-67.2	-19.3	179.1	62.9	-59.4	0	0	0	114.5	K320 S324 S350	K320-D352 WeakPolarHBondContact CD-OD2 3.34Å; K320-D352 VanDerWaalsContact CE-OD2 3.25Å; K320-D352 WeakPolarHBondContact CE-OD2 3.09Å; K320-D352 IonicContact NZ-OD2 3.44Å; K320-D352 PolarHBondContact NZ-OD2 2.84Å; S324-D352 PolarHBondContact OG-OD2 2.88Å; S350-D352 WeakPolarHBondContact CB-OD1 3.45Å; S350-D352 PolarHBondContact O-N 2.88Å; S350-D352 VanDerWaalsContact O-N 3.1Å; S350-D352 PolarHBondContact OG-OD1 3.03Å
353	V	96.1	Very high	97.5	Very high	6 Å²	6	40.8 Å²	40.8	4%	0.036	24%	0.236	C	C	.	.	H	α-helix	trans	-74.6	-44.9	173.2	173.9	0	0	0	0	110.2	V327 F346 A349 S350 P351 I410	V327-V353 HydrophobicContact CG1-CG1 3.55Å; V327-V353 HydrophobicContact CG1-CG2 4.2Å; V327-V353 HydrophobicContact CG2-CG2 4.19Å; F346-V353 HydrophobicContact CD1-CG1 3.68Å; F346-V353 HydrophobicContact CD2-CG1 4.2Å; F346-V353 HydrophobicContact CE1-CG1 3.76Å; F346-V353 HydrophobicContact CE2-CG1 4.29Å; F346-V353 HydrophobicContact CG-CG1 3.94Å; F346-V353 HydrophobicContact CZ-CG1 4.1Å; A349-V353 HydrophobicContact CB-CB 4.22Å; A349-V353 HydrophobicContact CB-CG1 4.31Å; S350-V353 WeakPolarHBondContact O-CB 3.33Å; S350-V353 PolarHBondContact O-N 3.47Å; P351-V353 PolarHBondContact O-N 3.14Å; V353-I410 HydrophobicContact CG1-CD1 4.43Å
354	S	94.8	Very high	97.4	Very high	41 Å²	41	45.3 Å²	45.3	29%	0.287	26%	0.257	S	S	.	.	H	α-helix	trans	-85.9	-22.4	-175.5	52.8	0	0	0	0	113.8	P351 T356 I357	P351-S354 PolarHBondContact O-N 3.37Å; P351-S354 PolarHBondContact O-OG 3.27Å; S354-T356 PolarHBondContact O-N 2.62Å; S354-I357 PolarHBondContact O-N 3.46Å
355	E	95.4	Very high	97.2	Very high	132 Å²	132	52.7 Å²	52.7	62%	0.617	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-25.2	-175.8	-172.9	-177.5	-177.9	0	0	114.2	N82 P351 I357	N82-E355 PolarHBondContact ND2-O 3.17Å; P351-E355 VanDerWaalsContact O-CB 3.32Å; P351-E355 WeakPolarHBondContact O-CB 3.29Å; P351-E355 PolarHBondContact O-N 3.14Å; E355-I357 VanDerWaalsContact C-N 3.33Å
356	T	95.7	Very high	97.2	Very high	13 Å²	13	56.7 Å²	56.7	8%	0.08	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-3.5	-179.4	64.5	0	0	0	0	114.3	N82 I83 S354 Y409	N82-T356 WeakPolarHBondContact CA-O 3.28Å; I83-T356 PolarHBondContact N-O 2.8Å; S354-T356 PolarHBondContact O-N 2.62Å; T356-Y409 HydrophobicContact CG2-CD1 4.38Å
357	I	98.4	Very high	97.2	Very high	9 Å²	9	56.3 Å²	56.3	5%	0.046	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	121.5	-172.4	-46.3	-62.1	0	0	0	110.2	I83 V85 F346 S354 E355 L360 P412	I83-I357 HydrophobicContact CB-CD1 3.85Å; I83-I357 HydrophobicContact CD1-CD1 3.85Å; I83-I357 HydrophobicContact CG1-CD1 3.98Å; I83-I357 CarbonylContact O-C 3.57Å; I83-I357 WeakPolarHBondContact O-CA 3.47Å; V85-I357 HydrophobicContact CG1-CG2 4.21Å; V85-I357 HydrophobicContact CG2-CG2 3.74Å; F346-I357 HydrophobicContact CE2-CG1 4.22Å; S354-I357 PolarHBondContact O-N 3.46Å; E355-I357 VanDerWaalsContact C-N 3.33Å; I357-L360 HydrophobicContact CB-CD1 3.86Å; I357-L360 HydrophobicContact CB-CG 4.23Å; I357-L360 HydrophobicContact CG2-CD1 3.89Å; I357-L360 HydrophobicContact CG2-CD2 4.03Å; I357-L360 HydrophobicContact CG2-CG 3.8Å; I357-P412 HydrophobicContact CD1-CG 4.45Å; I357-P412 HydrophobicContact CG1-CG 4.33Å; I357-P412 HydrophobicContact CG2-CG 3.97Å
358	D	98.6	Very high	97.1	Very high	64 Å²	64	57.5 Å²	57.5	34%	0.342	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	139.9	175.6	-57.1	-26.4	0	0	0	110.1	N82 I83 Q84 V85	N82-D358 VanDerWaalsContact CB-OD2 3.23Å; N82-D358 WeakPolarHBondContact CB-OD2 3.31Å; N82-D358 PolarHBondContact ND2-OD1 2.96Å; I83-D358 PolarHBondContact O-N 3.12Å; Q84-D358 HydrophobicContact CG-CB 4.01Å; V85-D358 WeakPolarHBondContact CG2-O 3.37Å; V85-D358 PolarHBondContact N-O 2.89Å
359	G	97.8	Very high	97.2	Very high	48 Å²	48	55.1 Å²	55.1	50%	0.495	30%	0.304	S	S	.	.	S	Bend	trans	102.9	10.5	179.2	0	0	0	0	0	115.2
360	L	98.3	Very high	97.2	Very high	24 Å²	24	55.7 Å²	55.7	13%	0.126	30%	0.302	C	S	.	.			trans	-89.3	136.4	174.3	-55.8	-178.4	0	0	0	111.8	F68 V85 H345 F346 I357	F68-L360 HydrophobicContact CD1-CD2 4.32Å; F68-L360 HydrophobicContact CE1-CD2 3.66Å; F68-L360 HydrophobicContact CZ-CD2 4.04Å; V85-L360 HydrophobicContact CG2-CD2 4.01Å; H345-L360 HydrophobicContact CB-CB 4.41Å; H345-L360 WeakPolarHBondContact ND1-CA 3.49Å; F346-L360 HydrophobicContact CD2-CD1 3.33Å; F346-L360 HydrophobicContact CE2-CD1 3.72Å; F346-L360 HydrophobicContact CG-CD1 4.45Å; I357-L360 HydrophobicContact CB-CD1 3.86Å; I357-L360 HydrophobicContact CB-CG 4.23Å; I357-L360 HydrophobicContact CG2-CD1 3.89Å; I357-L360 HydrophobicContact CG2-CD2 4.03Å; I357-L360 HydrophobicContact CG2-CG 3.8Å
361	N	97.8	Very high	97.3	Very high	123 Å²	123	56 Å²	56	66%	0.658	30%	0.304	S	S	*	.			trans	-133.1	77	178.6	-62.9	-45.8	0	0	0	110.1	H345 N363 H367	H345-N361 PolarHBondContact ND1-N 3.05Å; N361-N363 PolarHBondContact O-N 2.89Å; N361-H367 PolarHBondContact O-CE1 3.29Å; N361-H367 VanDerWaalsContact O-CE1 3.29Å
362	P	97.8	Very high	97.4	Very high	75 Å²	75	51.5 Å²	51.5	49%	0.487	28%	0.275	S	S	.	.			trans	-64.2	124.3	-179.5	25.8	-33	0	0	0	111.6	H345 L347	H345-P362 HydrophobicContact CB-CB 4.1Å; L347-P362 HydrophobicContact CB-CB 4.34Å; L347-P362 HydrophobicContact CD1-CB 4.34Å
363	N	98.1	Very high	97.5	Very high	74 Å²	74	49.6 Å²	49.6	40%	0.396	26%	0.264	S	S	.	.			trans	-124.4	130.9	173.2	178.6	-73	0	0	0	109.4	N361 E365 E366 H367	N361-N363 PolarHBondContact O-N 2.89Å; N363-E365 WeakPolarHBondContact OD1-CB 3.4Å; N363-E365 PolarHBondContact OD1-N 2.83Å; N363-E366 HydrophobicContact CB-CB 3.99Å; N363-E366 PolarHBondContact OD1-N 3.06Å; N363-H367 PolarHBondContact N-ND1 2.8Å; N363-H367 VanDerWaalsContact N-ND1 3.12Å; N363-H367 VanDerWaalsContact O-CB 3.22Å; N363-H367 WeakPolarHBondContact O-CB 3.38Å; N363-H367 PolarHBondContact O-N 2.78Å; N363-H367 PolarHBondContact O-ND1 2.86Å
364	E	96.8	Very high	97.6	Very high	101 Å²	101	49.6 Å²	49.6	47%	0.472	26%	0.264	S	S	.	.	H	α-helix	trans	-64.7	-45.9	-175.2	-173.3	170.4	165.6	0	0	112.3	L347 Y348 E366 H367 R368	L347-E364 HydrophobicContact CD1-CB 4.45Å; Y348-E364 VanDerWaalsContact OH-CG 3.32Å; Y348-E364 WeakPolarHBondContact OH-CG 3.45Å; Y348-E364 PolarHBondContact OH-OE1 3.22Å; E364-E366 PolarHBondContact O-N 2.99Å; E364-H367 PolarHBondContact O-N 2.63Å; E364-R368 WeakPolarHBondContact O-CB 3.13Å; E364-R368 VanDerWaalsContact O-CD 3.23Å; E364-R368 WeakPolarHBondContact O-CD 3.45Å; E364-R368 WeakPolarHBondContact O-CG 3.44Å; E364-R368 PolarHBondContact O-N 3.01Å
365	E	95.8	Very high	97.6	Very high	155 Å²	155	48.4 Å²	48.4	72%	0.724	26%	0.255	S	S	*	.	H	α-helix	trans	-64.1	-40.7	-179.7	-173.3	174.6	-172.2	0	0	112.1	N363 R386	N363-E365 WeakPolarHBondContact OD1-CB 3.4Å; N363-E365 PolarHBondContact OD1-N 2.83Å; E365-R386 PolarHBondContact O-NH1 2.97Å
366	E	97.6	Very high	97.5	Very high	89 Å²	89	44.5 Å²	44.5	42%	0.416	24%	0.238	S	C	.	.	H	α-helix	trans	-76.2	-33	-179.5	-165.8	178.2	177.6	0	0	113	N363 E364 R386	N363-E366 HydrophobicContact CB-CB 3.99Å; N363-E366 PolarHBondContact OD1-N 3.06Å; E364-E366 PolarHBondContact O-N 2.99Å; E366-R386 VanDerWaalsContact C-NH1 3.25Å; E366-R386 WeakPolarHBondContact O-CD 3.17Å; E366-R386 PolarHBondContact O-NE 3.39Å; E366-R386 VanDerWaalsContact O-NE 3.14Å; E366-R386 PolarHBondContact O-NH1 3.39Å
367	H	98.6	Very high	97.4	Very high	1 Å²	1	44 Å²	44	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-115	-5.9	-167.7	-54.8	148.1	0	0	0	115.1	P344 H345 L347 N361 N363 E364	P344-H367 HydrophobicContact CB-CB 3.82Å; P344-H367 WeakPolarHBondContact CD-O 3.32Å; P344-H367 HydrophobicContact CG-CB 4.06Å; H345-H367 AromaticContact CD2-CE1 3.19Å; H345-H367 PolarHBondContact CD2-CE1 3.04Å; H345-H367 AromaticContact CD2-ND1 3.89Å; H345-H367 AromaticContact CD2-NE2 3.35Å; H345-H367 PolarHBondContact CD2-NE2 3.35Å; H345-H367 VanDerWaalsContact CD2-NE2 3.35Å; H345-H367 AromaticContact CG-CE1 3.62Å; H345-H367 AromaticContact NE2-NE2 3.98Å; L347-H367 HydrophobicContact CB-CB 4.13Å; L347-H367 HydrophobicContact CD2-CB 3.84Å; N361-H367 PolarHBondContact O-CE1 3.29Å; N361-H367 VanDerWaalsContact O-CE1 3.29Å; N363-H367 PolarHBondContact N-ND1 2.8Å; N363-H367 VanDerWaalsContact N-ND1 3.12Å; N363-H367 VanDerWaalsContact O-CB 3.22Å; N363-H367 WeakPolarHBondContact O-CB 3.38Å; N363-H367 PolarHBondContact O-N 2.78Å; N363-H367 PolarHBondContact O-ND1 2.86Å; E364-H367 PolarHBondContact O-N 2.63Å
368	R	98.1	Very high	97.3	Very high	38 Å²	38	43.6 Å²	43.6	14%	0.143	23%	0.233	C	C	.	.			trans	-70.2	155	173.2	71.4	-166	-171.4	161.3	18.7	112.6	E280 L347 E364 R386	E280-R368 IonicContact OE1-CZ 2.75Å; E280-R368 VanDerWaalsContact OE1-CZ 3.32Å; E280-R368 IonicContact OE1-NH1 2.83Å; E280-R368 PolarHBondContact OE1-NH1 3.05Å; E280-R368 IonicContact OE1-NH2 3.55Å; E280-R368 PolarHBondContact OE1-NH2 3.49Å; E280-R368 IonicContact OE2-CZ 2.93Å; E280-R368 IonicContact OE2-NH1 3.32Å; E280-R368 IonicContact OE2-NH2 2.65Å; E280-R368 PolarHBondContact OE2-NH2 3.18Å; L347-R368 HydrophobicContact CD2-CB 4.39Å; E364-R368 WeakPolarHBondContact O-CB 3.13Å; E364-R368 VanDerWaalsContact O-CD 3.23Å; E364-R368 WeakPolarHBondContact O-CD 3.45Å; E364-R368 WeakPolarHBondContact O-CG 3.44Å; E364-R368 PolarHBondContact O-N 3.01Å; R368-R386 VanDerWaalsContact O-CD 3.27Å; R368-R386 WeakPolarHBondContact O-CD 3.49Å; R368-R386 PolarHBondContact O-NH1 2.71Å
369	T	98.5	Very high	97.2	Very high	9 Å²	9	42 Å²	42	6%	0.055	22%	0.223	C	C	.	.			trans	-97.8	134.8	167.7	-70.9	0	0	0	0	110	L295 A384 R386	L295-T369 HydrophobicContact CD1-CG2 3.58Å; L295-T369 HydrophobicContact CD2-CG2 4.11Å; L295-T369 HydrophobicContact CG-CG2 4.39Å; L295-T369 PolarHBondContact N-O 2.96Å; T369-A384 VanDerWaalsContact CA-O 3.25Å; T369-A384 WeakPolarHBondContact CA-O 3.39Å; T369-A384 WeakPolarHBondContact CG2-O 3.43Å; T369-R386 PolarHBondContact OG1-N 2.86Å; T369-R386 PolarHBondContact OG1-O 3.47Å; T369-R386 VanDerWaalsContact OG1-O 3.08Å
370	Y	98.6	Very high	97.2	Very high	30 Å²	30	40.8 Å²	40.8	12%	0.118	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	156.3	176.1	73.9	-95.6	0	0	0	112.8	F293 D372 Q382 F383 A384	F293-Y370 CarbonylContact O-C 3.54Å; F293-Y370 VanDerWaalsContact O-CA 3.23Å; F293-Y370 WeakPolarHBondContact O-CA 3.47Å; Y370-D372 WeakPolarHBondContact CE2-OD2 3.37Å; Y370-Q382 HydrophobicContact CE2-CG 4.18Å; Y370-Q382 PolarHBondContact OH-NE2 3.28Å; Y370-Q382 VanDerWaalsContact OH-NE2 3.17Å; Y370-F383 WeakPolarHBondContact O-CA 3.37Å; Y370-F383 WeakPolarHBondContact O-CB 3.34Å; Y370-A384 HydrophobicContact CD1-CB 3.88Å; Y370-A384 HydrophobicContact CE1-CB 3.39Å; Y370-A384 PolarHBondContact N-O 2.85Å; Y370-A384 VanDerWaalsContact N-O 3.08Å; Y370-A384 PolarHBondContact O-N 3.08Å
371	L	98.6	Very high	97.1	Very high	10 Å²	10	40.3 Å²	40.3	5%	0.052	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	125	174.7	-51.9	172.7	0	0	0	107.7	A251 F254 F266 A277 F293 I373 T380 F383	A251-L371 HydrophobicContact CB-CD1 4.2Å; F254-L371 HydrophobicContact CE2-CD1 4.05Å; F254-L371 HydrophobicContact CZ-CD1 3.93Å; F266-L371 HydrophobicContact CE1-CD1 4.1Å; F266-L371 HydrophobicContact CZ-CD1 4.48Å; A277-L371 HydrophobicContact CB-CD1 4.45Å; F293-L371 PolarHBondContact N-O 2.88Å; F293-L371 PolarHBondContact O-N 3.44Å; L371-I373 HydrophobicContact CB-CD1 4.04Å; L371-I373 HydrophobicContact CB-CG1 4.06Å; L371-I373 HydrophobicContact CD1-CD1 4.47Å; L371-T380 HydrophobicContact CB-CG2 4.34Å; L371-T380 HydrophobicContact CD2-CG2 4.3Å; L371-F383 HydrophobicContact CD2-CB 3.66Å; L371-F383 HydrophobicContact CD2-CG 4.48Å
372	D	98.6	Very high	97.2	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	106.8	173.2	-65.7	-26.4	0	0	0	108.2	V290 R292 Y370 L381 Q382	V290-D372 HydrophobicContact CB-CB 4.46Å; V290-D372 HydrophobicContact CG2-CB 3.89Å; R292-D372 WeakPolarHBondContact CB-OD1 3.31Å; R292-D372 IonicContact CZ-OD1 3.58Å; R292-D372 IonicContact CZ-OD2 3.41Å; R292-D372 IonicContact NE-OD1 3.81Å; R292-D372 PolarHBondContact NE-OD1 3.04Å; R292-D372 IonicContact NE-OD2 2.61Å; R292-D372 IonicContact NH2-OD1 2.76Å; R292-D372 PolarHBondContact NH2-OD1 2.76Å; R292-D372 IonicContact NH2-OD2 3.86Å; R292-D372 PolarHBondContact NH2-OD2 2.77Å; Y370-D372 WeakPolarHBondContact CE2-OD2 3.37Å; D372-L381 PolarHBondContact O-N 2.88Å; D372-Q382 HydrophobicContact CB-CB 4.01Å; D372-Q382 PolarHBondContact N-O 3.17Å; D372-Q382 PolarHBondContact O-N 2.95Å; D372-Q382 PolarHBondContact OD2-NE2 2.89Å
373	I	98.4	Very high	97.2	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	129.3	-167.3	-60	166.6	0	0	0	109.5	F254 V258 L264 V290 Y291 F293 L371 F379	F254-I373 HydrophobicContact CD2-CD1 3.58Å; F254-I373 HydrophobicContact CD2-CG1 4.22Å; F254-I373 HydrophobicContact CD2-CG2 4.41Å; F254-I373 HydrophobicContact CE2-CD1 3.43Å; F254-I373 VanDerWaalsContact CE2-CD1 3.43Å; F254-I373 HydrophobicContact CE2-CG1 4.2Å; F254-I373 HydrophobicContact CZ-CD1 4.32Å; V258-I373 HydrophobicContact CG2-CG2 4.34Å; L264-I373 HydrophobicContact CD1-CD1 3.24Å; V290-I373 CarbonylContact C-O 3.19Å; V290-I373 WeakPolarHBondContact CA-O 3.45Å; V290-I373 WeakPolarHBondContact CB-O 3.46Å; Y291-I373 PolarHBondContact N-O 3.33Å; Y291-I373 PolarHBondContact O-N 3.28Å; F293-I373 HydrophobicContact CB-CD1 4.25Å; F293-I373 HydrophobicContact CD2-CD1 3.78Å; F293-I373 HydrophobicContact CD2-CG1 4.49Å; F293-I373 HydrophobicContact CE2-CD1 4.41Å; F293-I373 HydrophobicContact CG-CD1 4.14Å; L371-I373 HydrophobicContact CB-CD1 4.04Å; L371-I373 HydrophobicContact CB-CG1 4.06Å; L371-I373 HydrophobicContact CD1-CD1 4.47Å; I373-F379 WeakPolarHBondContact CA-O 3.43Å
374	E	96.7	Very high	97.2	Very high	5 Å²	5	30.5 Å²	30.5	2%	0.023	15%	0.145	C	C	.	.			trans	-77.5	119.4	173.1	-165.4	-76.1	133.1	0	0	109.6	I288 V290 I376 T377 G378 F379 L381 F430	I288-E374 HydrophobicContact CG2-CG 3.76Å; V290-E374 HydrophobicContact CG1-CB 4.13Å; E374-I376 PolarHBondContact O-N 3.4Å; E374-I376 VanDerWaalsContact OE1-CB 3.25Å; E374-I376 WeakPolarHBondContact OE1-CB 3.28Å; E374-I376 WeakPolarHBondContact OE1-CG1 3.44Å; E374-I376 PolarHBondContact OE1-N 2.9Å; E374-I376 PolarHBondContact OE2-N 2.93Å; E374-T377 VanDerWaalsContact OE2-CB 3.26Å; E374-T377 WeakPolarHBondContact OE2-CB 3.16Å; E374-T377 WeakPolarHBondContact OE2-CG2 3.16Å; E374-T377 PolarHBondContact OE2-N 3.24Å; E374-T377 PolarHBondContact OE2-OG1 2.64Å; E374-G378 VanDerWaalsContact O-CA 3.29Å; E374-G378 WeakPolarHBondContact O-CA 3.41Å; E374-G378 PolarHBondContact O-N 3.08Å; E374-F379 PolarHBondContact N-O 2.88Å; E374-L381 HydrophobicContact CB-CD1 3.79Å; E374-L381 HydrophobicContact CB-CG 4.05Å; E374-L381 HydrophobicContact CG-CD1 4.3Å; E374-F430 HydrophobicContact CB-CZ 4.23Å; E374-F430 HydrophobicContact CG-CE1 3.74Å; E374-F430 HydrophobicContact CG-CZ 3.65Å
375	P	96.1	Very high	97.3	Very high	17 Å²	17	27.2 Å²	27.2	11%	0.11	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-27.7	-164.1	26.4	-35.1	0	0	0	114.2	F257 V258 P289 Y291	F257-P375 CarbonylContact C-O 3.23Å; F257-P375 WeakPolarHBondContact CA-O 3.39Å; F257-P375 PolarHBondContact N-O 3.15Å; V258-P375 PolarHBondContact N-O 2.92Å; P289-P375 WeakPolarHBondContact O-CD 3.29Å; Y291-P375 HydrophobicContact CD2-CB 3.83Å; Y291-P375 HydrophobicContact CD2-CG 4.46Å; Y291-P375 HydrophobicContact CE1-CG 4.28Å; Y291-P375 HydrophobicContact CE2-CB 3.57Å; Y291-P375 HydrophobicContact CE2-CG 4.18Å; Y291-P375 HydrophobicContact CG-CB 4.41Å
376	I	93.3	Very high	97.4	Very high	49 Å²	49	21.4 Å²	21.4	25%	0.251	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-46.7	-176.1	-58.5	176	0	0	0	110.4	I38 P256 F257 E374 I438	I38-I376 HydrophobicContact CD1-CG2 4.03Å; I38-I376 HydrophobicContact CG1-CG2 3.86Å; I38-I376 HydrophobicContact CG2-CG2 4.32Å; P256-I376 WeakPolarHBondContact CB-O 3.48Å; F257-I376 HydrophobicContact CE1-CG2 4.23Å; F257-I376 PolarHBondContact N-O 3.15Å; F257-I376 VanDerWaalsContact N-O 3.12Å; E374-I376 PolarHBondContact O-N 3.4Å; E374-I376 VanDerWaalsContact OE1-CB 3.25Å; E374-I376 WeakPolarHBondContact OE1-CB 3.28Å; E374-I376 WeakPolarHBondContact OE1-CG1 3.44Å; E374-I376 PolarHBondContact OE1-N 2.9Å; E374-I376 PolarHBondContact OE2-N 2.93Å; I376-I438 HydrophobicContact CD1-CD1 3.74Å; I376-I438 HydrophobicContact CG2-CD1 4.3Å
377	T	93.8	Very high	97.5	Very high	4 Å²	4	17.9 Å²	17.9	3%	0.025	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-26.3	-178.4	60.2	0	0	0	0	113.4	I38 V42 E374 F379 F430 V434	I38-T377 HydrophobicContact CD1-CG2 4.38Å; V42-T377 HydrophobicContact CG1-CG2 4.48Å; E374-T377 VanDerWaalsContact OE2-CB 3.26Å; E374-T377 WeakPolarHBondContact OE2-CB 3.16Å; E374-T377 WeakPolarHBondContact OE2-CG2 3.16Å; E374-T377 PolarHBondContact OE2-N 3.24Å; E374-T377 PolarHBondContact OE2-OG1 2.64Å; T377-F379 VanDerWaalsContact C-N 3.31Å; T377-F379 HydrophobicContact CG2-CD2 4.4Å; T377-F379 HydrophobicContact CG2-CE2 4.3Å; T377-F379 WeakPolarHBondContact OG1-CG 3.32Å; T377-F379 PolarHBondContact OG1-N 3.04Å; T377-F430 HydrophobicContact CG2-CE2 4.17Å; T377-F430 HydrophobicContact CG2-CZ 3.98Å; T377-V434 HydrophobicContact CG2-CG1 4.11Å
378	G	96.3	Very high	97.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.084	C	C	.	.			trans	79	8.8	-172.3	0	0	0	0	0	113.8	S253 F254 E374	S253-G378 CarbonylContact C-O 3.55Å; S253-G378 WeakPolarHBondContact CA-O 3.32Å; F254-G378 PolarHBondContact N-O 3.18Å; E374-G378 VanDerWaalsContact O-CA 3.29Å; E374-G378 WeakPolarHBondContact O-CA 3.41Å; E374-G378 PolarHBondContact O-N 3.08Å
379	F	96.3	Very high	97.5	Very high	30 Å²	30	16.7 Å²	16.7	13%	0.132	8%	0.081	C	C	.	.	B	Isolated β-bridge	trans	-77.5	135.7	-179	-61.4	-18.7	0	0	0	112.2	V42 A50 I373 E374 T377 L381 F430	V42-F379 HydrophobicContact CG1-CE1 4.32Å; V42-F379 HydrophobicContact CG1-CZ 4.07Å; A50-F379 HydrophobicContact CB-CE1 4.04Å; A50-F379 HydrophobicContact CB-CZ 3.78Å; I373-F379 WeakPolarHBondContact CA-O 3.43Å; E374-F379 PolarHBondContact N-O 2.88Å; T377-F379 VanDerWaalsContact C-N 3.31Å; T377-F379 HydrophobicContact CG2-CD2 4.4Å; T377-F379 HydrophobicContact CG2-CE2 4.3Å; T377-F379 WeakPolarHBondContact OG1-CG 3.32Å; T377-F379 PolarHBondContact OG1-N 3.04Å; F379-L381 HydrophobicContact CB-CD2 3.91Å; F379-L381 PolarHBondContact O-N 2.87Å; F379-F430 HydrophobicContact CD2-CE2 4.09Å
380	T	97.6	Very high	97.5	Very high	23 Å²	23	16.3 Å²	16.3	14%	0.141	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	110	170.7	-57	0	0	0	0	109	A251 A252 L371 F383	A251-T380 PolarHBondContact O-OG1 3.09Å; A252-T380 WeakPolarHBondContact O-CB 3.49Å; A252-T380 PolarHBondContact O-N 2.78Å; A252-T380 PolarHBondContact O-OG1 2.92Å; L371-T380 HydrophobicContact CB-CG2 4.34Å; L371-T380 HydrophobicContact CD2-CG2 4.3Å; T380-F383 HydrophobicContact CG2-CB 4.01Å; T380-F383 HydrophobicContact CG2-CD1 4.29Å
381	L	96.8	Very high	97.5	Very high	13 Å²	13	15.3 Å²	15.3	7%	0.068	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-25.8	-174.6	-59.4	-167.2	0	0	0	113.3	L285 I288 V290 D372 E374 F379 I422	L285-L381 HydrophobicContact CD2-CB 3.69Å; I288-L381 HydrophobicContact CB-CD1 4.45Å; I288-L381 HydrophobicContact CD1-CD1 4Å; I288-L381 HydrophobicContact CG2-CD1 3.85Å; V290-L381 HydrophobicContact CG1-CD1 4.01Å; D372-L381 PolarHBondContact O-N 2.88Å; E374-L381 HydrophobicContact CB-CD1 3.79Å; E374-L381 HydrophobicContact CB-CG 4.05Å; E374-L381 HydrophobicContact CG-CD1 4.3Å; F379-L381 HydrophobicContact CB-CD2 3.91Å; F379-L381 PolarHBondContact O-N 2.87Å; L381-I422 HydrophobicContact CB-CG2 4.31Å; L381-I422 HydrophobicContact CD2-CD1 4.36Å; L381-I422 PolarHBondContact O-N 2.75Å
382	Q	98.3	Very high	97.5	Very high	34 Å²	34	14.9 Å²	14.9	16%	0.159	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	146.7	170.9	174.1	-178.5	-71.9	0	0	109.1	L285 Y370 D372 G420 T421	L285-Q382 HydrophobicContact CD1-CB 4.42Å; L285-Q382 VanDerWaalsContact CD1-OE1 3.32Å; L285-Q382 HydrophobicContact CD2-CB 3.64Å; Y370-Q382 HydrophobicContact CE2-CG 4.18Å; Y370-Q382 PolarHBondContact OH-NE2 3.28Å; Y370-Q382 VanDerWaalsContact OH-NE2 3.17Å; D372-Q382 HydrophobicContact CB-CB 4.01Å; D372-Q382 PolarHBondContact N-O 3.17Å; D372-Q382 PolarHBondContact O-N 2.95Å; D372-Q382 PolarHBondContact OD2-NE2 2.89Å; Q382-G420 VanDerWaalsContact CA-O 3.26Å; Q382-G420 WeakPolarHBondContact CA-O 3.4Å; Q382-T421 PolarHBondContact OE1-OG1 2.89Å
383	F	98.4	Very high	97.5	Very high	32 Å²	32	15 Å²	15	14%	0.14	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	156.8	172.3	68.9	-80.9	0	0	0	110.9	I61 Y370 L371 T380 K385 E418 T419 G420	I61-F383 HydrophobicContact CD1-CE1 4.21Å; I61-F383 HydrophobicContact CD1-CZ 4.13Å; I61-F383 HydrophobicContact CG1-CE1 4.37Å; I61-F383 HydrophobicContact CG1-CZ 4.33Å; I61-F383 HydrophobicContact CG2-CZ 3.95Å; Y370-F383 WeakPolarHBondContact O-CA 3.37Å; Y370-F383 WeakPolarHBondContact O-CB 3.34Å; L371-F383 HydrophobicContact CD2-CB 3.66Å; L371-F383 HydrophobicContact CD2-CG 4.48Å; T380-F383 HydrophobicContact CG2-CB 4.01Å; T380-F383 HydrophobicContact CG2-CD1 4.29Å; F383-K385 HydrophobicContact CD2-CB 4.19Å; F383-K385 HydrophobicContact CE2-CB 4.33Å; F383-E418 WeakPolarHBondContact CD2-O 3.19Å; F383-E418 HydrophobicContact CE2-CG 4.05Å; F383-E418 VanDerWaalsContact CE2-O 3.23Å; F383-E418 WeakPolarHBondContact CE2-O 3.46Å; F383-E418 HydrophobicContact CZ-CG 4.39Å; F383-T419 VanDerWaalsContact O-CA 3.27Å; F383-T419 WeakPolarHBondContact O-CA 3.2Å; F383-T419 PolarHBondContact O-OG1 3.24Å; F383-G420 PolarHBondContact N-O 3.02Å; F383-G420 PolarHBondContact O-N 3.49Å
384	A	98.6	Very high	97.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	106.3	164.1	0	0	0	0	0	108.3	T369 Y370 R386	T369-A384 VanDerWaalsContact CA-O 3.25Å; T369-A384 WeakPolarHBondContact CA-O 3.39Å; T369-A384 WeakPolarHBondContact CG2-O 3.43Å; Y370-A384 HydrophobicContact CD1-CB 3.88Å; Y370-A384 HydrophobicContact CE1-CB 3.39Å; Y370-A384 PolarHBondContact N-O 2.85Å; Y370-A384 VanDerWaalsContact N-O 3.08Å; Y370-A384 PolarHBondContact O-N 3.08Å; A384-R386 HydrophobicContact CB-CG 4.47Å
385	K	98.4	Very high	97.5	Very high	33 Å²	33	20.9 Å²	20.9	14%	0.143	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	109.7	173.6	175.7	-175.5	-178.1	173.5	0	108.7	S268 D270 F383 E418	S268-K385 PolarHBondContact OG-NZ 2.58Å; D270-K385 IonicContact OD2-NZ 3.46Å; D270-K385 PolarHBondContact OD2-NZ 3.13Å; F383-K385 HydrophobicContact CD2-CB 4.19Å; F383-K385 HydrophobicContact CE2-CB 4.33Å; K385-E418 HydrophobicContact CB-CB 4.25Å; K385-E418 PolarHBondContact N-O 3.45Å; K385-E418 PolarHBondContact O-N 3.24Å
386	R	98.6	Very high	97.5	Very high	33 Å²	33	20.5 Å²	20.5	13%	0.125	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	122.9	-176.2	-53.8	-171.9	-170.9	139.1	-21.5	110.8	L343 P344 E365 E366 R368 T369 A384 L416 N417	L343-R386 WeakPolarHBondContact CD2-O 3.27Å; P344-R386 HydrophobicContact CG-CB 3.91Å; E365-R386 PolarHBondContact O-NH1 2.97Å; E366-R386 VanDerWaalsContact C-NH1 3.25Å; E366-R386 WeakPolarHBondContact O-CD 3.17Å; E366-R386 PolarHBondContact O-NE 3.39Å; E366-R386 VanDerWaalsContact O-NE 3.14Å; E366-R386 PolarHBondContact O-NH1 3.39Å; R368-R386 VanDerWaalsContact O-CD 3.27Å; R368-R386 WeakPolarHBondContact O-CD 3.49Å; R368-R386 PolarHBondContact O-NH1 2.71Å; T369-R386 PolarHBondContact OG1-N 2.86Å; T369-R386 PolarHBondContact OG1-O 3.47Å; T369-R386 VanDerWaalsContact OG1-O 3.08Å; A384-R386 HydrophobicContact CB-CG 4.47Å; R386-L416 VanDerWaalsContact CA-O 3.28Å; R386-L416 WeakPolarHBondContact CA-O 3.47Å; R386-N417 HydrophobicContact CG-CB 4.33Å
387	L	97.9	Very high	97.6	Very high	14 Å²	14	24.5 Å²	24.5	7%	0.073	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	157.4	178.4	67.8	84.7	0	0	0	110.7	I271 I341 V389 W415 L416	I271-L387 HydrophobicContact CG2-CD2 4.17Å; I341-L387 HydrophobicContact CG2-CB 4.38Å; L387-V389 HydrophobicContact CD1-CG2 3.77Å; L387-W415 CarbonylContact O-C 3.54Å; L387-W415 WeakPolarHBondContact O-CA 3.42Å; L387-L416 HydrophobicContact CD1-CD1 4.43Å; L387-L416 HydrophobicContact CD1-CD2 3.63Å; L387-L416 HydrophobicContact CD1-CG 3.85Å; L387-L416 HydrophobicContact CD2-CD1 4.35Å; L387-L416 HydrophobicContact CG-CD1 3.9Å; L387-L416 HydrophobicContact CG-CD2 4.02Å; L387-L416 HydrophobicContact CG-CG 3.82Å; L387-L416 PolarHBondContact N-O 2.91Å; L387-L416 PolarHBondContact O-N 2.88Å
388	Q	98.8	Very high	97.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	136.2	176.1	179.1	172.9	-68.5	0	0	109.6	F68 I341 S342 F346 N390 P412 L414 W415	F68-Q388 HydrophobicContact CE2-CG 4.27Å; F68-Q388 VanDerWaalsContact CE2-OE1 3.29Å; I341-Q388 WeakPolarHBondContact CA-O 3.11Å; S342-Q388 PolarHBondContact N-O 2.78Å; S342-Q388 PolarHBondContact O-N 2.93Å; S342-Q388 WeakPolarHBondContact OG-CB 3.37Å; S342-Q388 PolarHBondContact OG-NE2 2.88Å; F346-Q388 VanDerWaalsContact CE1-NE2 3.26Å; Q388-N390 WeakPolarHBondContact CG-OD1 3.45Å; Q388-N390 PolarHBondContact NE2-OD1 3.4Å; Q388-P412 HydrophobicContact CG-CB 4.46Å; Q388-L414 WeakPolarHBondContact CA-O 3.5Å; Q388-L414 WeakPolarHBondContact CG-O 3.27Å; Q388-W415 HydrophobicContact CB-CB 3.87Å; Q388-W415 HydrophobicContact CG-CB 4.13Å
389	V	98.8	Very high	97.8	Very high	15 Å²	15	29.4 Å²	29.4	9%	0.091	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	123.2	175.8	-167.1	0	0	0	0	108.4	M200 V339 I341 L387 I413 L414	M200-V389 HydrophobicContact CE-CB 3.54Å; M200-V389 HydrophobicContact CE-CG1 3.28Å; M200-V389 HydrophobicContact CE-CG2 4.44Å; V339-V389 HydrophobicContact CG1-CG1 3.84Å; I341-V389 HydrophobicContact CD1-CB 4.49Å; I341-V389 HydrophobicContact CD1-CG1 4.26Å; I341-V389 HydrophobicContact CD1-CG2 4.15Å; L387-V389 HydrophobicContact CD1-CG2 3.77Å; V389-I413 PolarHBondContact O-N 3.21Å; V389-L414 HydrophobicContact CB-CD1 4.3Å; V389-L414 HydrophobicContact CG2-CD1 4.01Å; V389-L414 PolarHBondContact N-O 2.78Å; V389-L414 PolarHBondContact O-N 2.71Å
390	N	98.9	Very high	97.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	157.5	-178.8	-42.3	-84.6	0	0	0	109.6	V339 Y340 S342 F346 Q388 I410 V411 P412	V339-N390 WeakPolarHBondContact CA-O 3.22Å; Y340-N390 PolarHBondContact N-O 2.92Å; Y340-N390 WeakPolarHBondContact O-CA 3.43Å; Y340-N390 VanDerWaalsContact O-CB 3.31Å; Y340-N390 WeakPolarHBondContact O-CB 3.23Å; Y340-N390 PolarHBondContact O-N 3.1Å; Y340-N390 PolarHBondContact O-ND2 3.06Å; S342-N390 PolarHBondContact OG-ND2 2.85Å; F346-N390 VanDerWaalsContact CE1-OD1 3.23Å; F346-N390 WeakPolarHBondContact CE1-OD1 3.47Å; F346-N390 VanDerWaalsContact CZ-OD1 3.29Å; F346-N390 WeakPolarHBondContact CZ-OD1 3.5Å; Q388-N390 WeakPolarHBondContact CG-OD1 3.45Å; Q388-N390 PolarHBondContact NE2-OD1 3.4Å; N390-I410 HydrophobicContact CB-CG2 3.55Å; N390-V411 CarbonylContact C-O 3.58Å; N390-V411 WeakPolarHBondContact CA-O 3.41Å; N390-V411 WeakPolarHBondContact CB-O 3.47Å; N390-P412 VanDerWaalsContact OD1-CA 3.27Å; N390-P412 WeakPolarHBondContact OD1-CA 3.37Å; N390-P412 WeakPolarHBondContact OD1-CB 3.18Å
391	L	98.6	Very high	97.9	Very high	9 Å²	9	33.6 Å²	33.6	5%	0.047	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	127.9	174.7	-149.7	75.1	0	0	0	109.8	L138 L140 A143 P338 V339 V411 I413	L138-L391 HydrophobicContact CD2-CB 3.95Å; L138-L391 HydrophobicContact CD2-CD2 4.02Å; L138-L391 HydrophobicContact CD2-CG 4.46Å; L140-L391 HydrophobicContact CB-CD2 4.41Å; L140-L391 HydrophobicContact CD2-CD2 3.96Å; A143-L391 HydrophobicContact CB-CD2 3.83Å; P338-L391 HydrophobicContact CG-CD1 4.43Å; P338-L391 HydrophobicContact CG-CG 4.26Å; P338-L391 WeakPolarHBondContact O-CA 3.43Å; V339-L391 HydrophobicContact CB-CD1 4.41Å; V339-L391 HydrophobicContact CG2-CD1 3.71Å; L391-V411 PolarHBondContact N-O 3.26Å; L391-V411 PolarHBondContact O-N 3.08Å; L391-I413 HydrophobicContact CB-CD1 4.26Å; L391-I413 HydrophobicContact CB-CG1 4.22Å
392	L	98.6	Very high	97.9	Very high	1 Å²	1	33 Å²	33	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	128.8	177.4	165.6	71.8	0	0	0	110.4	I318 P338 Y340 K394 N408 Y409 I410	I318-L392 HydrophobicContact CD1-CD1 3.98Å; I318-L392 HydrophobicContact CD1-CD2 3.99Å; I318-L392 HydrophobicContact CG1-CD1 4.48Å; I318-L392 HydrophobicContact CG1-CD2 3.78Å; I318-L392 HydrophobicContact CG2-CD1 4.41Å; I318-L392 HydrophobicContact CG2-CD2 4.46Å; P338-L392 HydrophobicContact CB-CB 4.12Å; P338-L392 WeakPolarHBondContact CG-O 3.43Å; P338-L392 PolarHBondContact O-N 3.23Å; Y340-L392 HydrophobicContact CD2-CB 3.89Å; Y340-L392 HydrophobicContact CE2-CB 3.74Å; Y340-L392 HydrophobicContact CE2-CD2 3.82Å; Y340-L392 HydrophobicContact CE2-CG 4.43Å; L392-K394 HydrophobicContact CD1-CG 4.24Å; L392-K394 HydrophobicContact CD2-CG 4.43Å; L392-K394 HydrophobicContact CG-CG 4.2Å; L392-N408 HydrophobicContact CD1-CB 4.07Å; L392-Y409 WeakPolarHBondContact CA-O 3.31Å; L392-I410 HydrophobicContact CD1-CG1 4.35Å
393	V	98.3	Very high	97.9	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.012	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	136.3	170.1	64.2	0	0	0	0	110.1	L138 A143 M169 L402 L405 N408 Y409 V411	L138-V393 HydrophobicContact CD1-CB 4.43Å; L138-V393 HydrophobicContact CD1-CG1 4.26Å; L138-V393 HydrophobicContact CD2-CB 4.36Å; A143-V393 HydrophobicContact CB-CB 4.32Å; A143-V393 HydrophobicContact CB-CG2 4.36Å; M169-V393 HydrophobicContact CE-CG1 3.95Å; M169-V393 HydrophobicContact CE-CG2 4.45Å; V393-L402 HydrophobicContact CG2-CD1 4.27Å; V393-L402 HydrophobicContact CG2-CD2 3.73Å; V393-L405 HydrophobicContact CG2-CD1 4.12Å; V393-N408 WeakPolarHBondContact O-CA 3.43Å; V393-Y409 HydrophobicContact CG1-CD2 4.43Å; V393-Y409 PolarHBondContact N-O 3.2Å; V393-Y409 PolarHBondContact O-N 3.4Å; V393-V411 HydrophobicContact CG1-CG2 3.72Å
394	K	97.7	Very high	97.8	Very high	78 Å²	78	42.5 Å²	42.5	34%	0.339	20%	0.199	S	C	.	.			trans	-120.5	155	-177.5	-51.3	-172.1	-140.6	-171.8	0	110.6	H147 I318 L392 N408	H147-K394 VanDerWaalsContact ND1-CE 3.26Å; H147-K394 WeakPolarHBondContact ND1-CE 3.39Å; I318-K394 HydrophobicContact CD1-CD 4.45Å; L392-K394 HydrophobicContact CD1-CG 4.24Å; L392-K394 HydrophobicContact CD2-CG 4.43Å; L392-K394 HydrophobicContact CG-CG 4.2Å; K394-N408 WeakPolarHBondContact CB-OD1 3.42Å; K394-N408 WeakPolarHBondContact CG-OD1 3.33Å
395	P	97.6	Very high	97.8	Very high	51 Å²	51	42.9 Å²	42.9	33%	0.331	20%	0.201	S	C	.	.			trans	-56.6	144	169.1	-23.2	33.8	0	0	0	112.5	L405 N408	P395-L405 HydrophobicContact CB-CB 4.08Å; P395-L405 WeakPolarHBondContact CB-O 3.45Å; P395-L405 HydrophobicContact CG-CB 3.84Å; P395-L405 WeakPolarHBondContact CG-O 3.49Å; P395-N408 WeakPolarHBondContact CD-OD1 3.45Å
396	S	96.9	Very high	97.7	Very high	10 Å²	10	49.7 Å²	49.7	7%	0.07	23%	0.231	C	C	.	.			trans	-134.4	126.1	171.1	171	0	0	0	0	111.7	Q155 K398 I399 L402 K403	Q155-S396 PolarHBondContact OE1-OG 2.93Å; S396-K398 PolarHBondContact O-N 2.96Å; S396-K398 PolarHBondContact OG-N 3.48Å; S396-I399 PolarHBondContact OG-N 3.16Å; S396-I399 VanDerWaalsContact OG-N 3.08Å; S396-L402 PolarHBondContact N-O 3Å; S396-K403 WeakPolarHBondContact O-CA 3.41Å; S396-K403 WeakPolarHBondContact O-CB 3.37Å
397	N	95.6	Very high	97.6	Very high	133 Å²	133	52 Å²	52	71%	0.711	24%	0.239	S	C	*	.	S	Bend	trans	-69.7	-17.6	177.2	-70.2	-29	0	0	0	113.6
398	K	96.9	Very high	97.6	Very high	107 Å²	107	54.2 Å²	54.2	47%	0.465	25%	0.251	S	S	.	.	S	Bend	trans	-107.5	-29.2	-173.8	-60.2	-57.3	-176.4	-179	0	113	Q155 V156 N159 S396	Q155-K398 HydrophobicContact CB-CB 3.71Å; Q155-K398 HydrophobicContact CB-CG 4.28Å; V156-K398 HydrophobicContact CG2-CB 4.37Å; V156-K398 HydrophobicContact CG2-CD 4.07Å; V156-K398 HydrophobicContact CG2-CG 4.37Å; N159-K398 VanDerWaalsContact CB-O 3.31Å; N159-K398 WeakPolarHBondContact CB-O 3.48Å; N159-K398 VanDerWaalsContact CG-O 3.22Å; N159-K398 PolarHBondContact OD1-O 2.83Å; S396-K398 PolarHBondContact O-N 2.96Å; S396-K398 PolarHBondContact OG-N 3.48Å
399	I	97.2	Very high	97.6	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	25%	0.251	C	S	.	.			trans	-92.4	106.6	176.2	-64.2	172.3	0	0	0	109.1	Q155 L158 N159 I162 S396 V401 L402 K403	Q155-I399 HydrophobicContact CB-CG1 4.48Å; Q155-I399 VanDerWaalsContact OE1-CG1 3.31Å; L158-I399 HydrophobicContact CB-CD1 4.47Å; N159-I399 HydrophobicContact CB-CG1 4.33Å; N159-I399 WeakPolarHBondContact OD1-CA 3.4Å; I162-I399 HydrophobicContact CD1-CD1 4.41Å; I162-I399 HydrophobicContact CD1-CG2 3.87Å; S396-I399 PolarHBondContact OG-N 3.16Å; S396-I399 VanDerWaalsContact OG-N 3.08Å; I399-V401 VanDerWaalsContact C-N 3.29Å; I399-V401 HydrophobicContact CG2-CG2 3.63Å; I399-V401 PolarHBondContact O-N 2.99Å; I399-L402 HydrophobicContact CG2-CB 4.32Å; I399-L402 HydrophobicContact CG2-CD1 4.18Å; I399-L402 HydrophobicContact CG2-CG 4.01Å; I399-L402 CarbonylContact O-C 3.51Å; I399-L402 PolarHBondContact O-N 2.92Å; I399-K403 PolarHBondContact O-N 3.46Å
400	Q	97.1	Very high	97.6	Very high	121 Å²	121	54.2 Å²	54.2	57%	0.565	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-56	-40.9	-172	-175.4	175	1	0	0	112.9	N159 N163 L402 K403	N159-Q400 WeakPolarHBondContact OD1-CB 3.47Å; N159-Q400 PolarHBondContact OD1-N 2.8Å; N163-Q400 PolarHBondContact ND2-OE1 3.49Å; Q400-L402 PolarHBondContact O-N 3.43Å; Q400-K403 WeakPolarHBondContact O-CB 3.36Å; Q400-K403 PolarHBondContact O-N 3.2Å
401	V	97.2	Very high	97.6	Very high	19 Å²	19	54.3 Å²	54.3	12%	0.115	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-68.5	-13	179.8	-58.3	0	0	0	0	113.6	M77 V142 I162 I399	M77-V401 WeakPolarHBondContact CG-O 3.39Å; V142-V401 HydrophobicContact CG1-CG2 3.93Å; I162-V401 HydrophobicContact CG2-CG1 4.18Å; I162-V401 HydrophobicContact CG2-CG2 3.9Å; I399-V401 VanDerWaalsContact C-N 3.29Å; I399-V401 HydrophobicContact CG2-CG2 3.63Å; I399-V401 PolarHBondContact O-N 2.99Å
402	L	97.9	Very high	97.6	Very high	1 Å²	1	53.9 Å²	53.9	1%	0.005	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-115.3	0.6	175.7	-57.1	-179.7	0	0	0	112.8	V142 M169 V393 S396 I399 Q400 R404 L405	V142-L402 HydrophobicContact CG1-CD1 4.26Å; V142-L402 HydrophobicContact CG1-CD2 4.42Å; V142-L402 HydrophobicContact CG1-CG 4.36Å; M169-L402 HydrophobicContact CB-CD2 4.17Å; M169-L402 HydrophobicContact CG-CD2 3.87Å; M169-L402 HydrophobicContact SD-CD2 4.25Å; V393-L402 HydrophobicContact CG2-CD1 4.27Å; V393-L402 HydrophobicContact CG2-CD2 3.73Å; S396-L402 PolarHBondContact N-O 3Å; I399-L402 HydrophobicContact CG2-CB 4.32Å; I399-L402 HydrophobicContact CG2-CD1 4.18Å; I399-L402 HydrophobicContact CG2-CG 4.01Å; I399-L402 CarbonylContact O-C 3.51Å; I399-L402 PolarHBondContact O-N 2.92Å; Q400-L402 PolarHBondContact O-N 3.43Å; L402-R404 VanDerWaalsContact C-N 3.34Å; L402-R404 PolarHBondContact O-N 3.49Å; L402-L405 HydrophobicContact CB-CD1 4.32Å; L402-L405 HydrophobicContact CD2-CD1 4.07Å; L402-L405 PolarHBondContact O-N 2.69Å
403	K	97.2	Very high	97.6	Very high	127 Å²	127	53.9 Å²	53.9	55%	0.552	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-27.1	-169.2	-174.5	175.6	179	-178.9	0	114.2	S396 I399 Q400	S396-K403 WeakPolarHBondContact O-CA 3.41Å; S396-K403 WeakPolarHBondContact O-CB 3.37Å; I399-K403 PolarHBondContact O-N 3.46Å; Q400-K403 WeakPolarHBondContact O-CB 3.36Å; Q400-K403 PolarHBondContact O-N 3.2Å
404	R	97.5	Very high	97.6	Very high	138 Å²	138	53.8 Å²	53.8	52%	0.521	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-5.6	-177.4	-67.4	-176.3	175.2	-143.6	4	113.5	M77 M78 L402 K406	M77-R404 WeakPolarHBondContact O-CB 3.4Å; M78-R404 WeakPolarHBondContact O-CD 3.41Å; L402-R404 VanDerWaalsContact C-N 3.34Å; L402-R404 PolarHBondContact O-N 3.49Å; R404-K406 PolarHBondContact O-N 2.85Å
405	L	97.9	Very high	97.7	Very high	9 Å²	9	50.3 Å²	50.3	5%	0.047	23%	0.233	C	C	.	.			trans	-63.7	132.7	173.4	-60.4	-179.1	0	0	0	109.6	M169 V393 P395 L402 Y409	M169-L405 HydrophobicContact CE-CD1 4Å; M169-L405 HydrophobicContact CE-CD2 3.96Å; M169-L405 HydrophobicContact SD-CD1 4.21Å; M169-L405 HydrophobicContact SD-CD2 3.9Å; M169-L405 HydrophobicContact SD-CG 4.44Å; V393-L405 HydrophobicContact CG2-CD1 4.12Å; P395-L405 HydrophobicContact CB-CB 4.08Å; P395-L405 WeakPolarHBondContact CB-O 3.45Å; P395-L405 HydrophobicContact CG-CB 3.84Å; P395-L405 WeakPolarHBondContact CG-O 3.49Å; L402-L405 HydrophobicContact CB-CD1 4.32Å; L402-L405 HydrophobicContact CD2-CD1 4.07Å; L402-L405 PolarHBondContact O-N 2.69Å; L405-Y409 HydrophobicContact CD2-CE2 4.05Å
406	K	97.4	Very high	97.7	Very high	176 Å²	176	48.2 Å²	48.2	77%	0.765	22%	0.219	S	C	*	.			trans	-102.7	-12.1	179.2	-62.4	178.8	-178	172.7	0	112.5	S80 R404	S80-K406 PolarHBondContact OG-N 2.93Å; R404-K406 PolarHBondContact O-N 2.85Å
407	R	96.2	Very high	97.8	Very high	82 Å²	82	48.5 Å²	48.5	31%	0.309	22%	0.219	S	C	.	.	S	Bend	trans	-147.1	166.2	-177.3	58.8	-174.5	160.5	170.7	-1.7	111.1	S80 S81 N82 Y409	S80-R407 PolarHBondContact O-NE 3.44Å; S80-R407 PolarHBondContact O-NH2 2.9Å; S81-R407 VanDerWaalsContact C-NH2 3.26Å; S81-R407 PolarHBondContact O-NH2 2.91Å; N82-R407 VanDerWaalsContact OD1-CZ 3.26Å; N82-R407 PolarHBondContact OD1-NH1 2.81Å; N82-R407 PolarHBondContact OD1-NH2 2.93Å; R407-Y409 HydrophobicContact CG-CD2 4.44Å; R407-Y409 HydrophobicContact CG-CE1 4.49Å; R407-Y409 HydrophobicContact CG-CE2 3.68Å; R407-Y409 PolarHBondContact NE-OH 3.4Å; R407-Y409 WeakPolarHBondContact O-CD2 3.36Å; R407-Y409 WeakPolarHBondContact O-CE2 3.48Å
408	N	97.3	Very high	98	Very high	59 Å²	59	42.3 Å²	42.3	32%	0.316	19%	0.186	S	C	.	.			trans	-83.5	149	173.6	-56.5	-42.4	0	0	0	109.8	I318 L392 V393 K394 P395	I318-N408 HydrophobicContact CD1-CB 4Å; I318-N408 VanDerWaalsContact CD1-ND2 3.3Å; I318-N408 WeakPolarHBondContact CD1-ND2 3.35Å; L392-N408 HydrophobicContact CD1-CB 4.07Å; V393-N408 WeakPolarHBondContact O-CA 3.43Å; K394-N408 WeakPolarHBondContact CB-OD1 3.42Å; K394-N408 WeakPolarHBondContact CG-OD1 3.33Å; P395-N408 WeakPolarHBondContact CD-OD1 3.45Å
409	Y	98.4	Very high	98	Very high	1 Å²	1	38.8 Å²	38.8	0%	0.004	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	128.8	176.2	-62.6	-102.2	0	0	0	109.8	S80 S81 I83 T356 L392 V393 L405 R407 V411	S80-Y409 WeakPolarHBondContact CA-OH 3.26Å; S80-Y409 PolarHBondContact O-OH 2.69Å; S80-Y409 PolarHBondContact OG-OH 3.22Å; S81-Y409 WeakPolarHBondContact O-CE1 3.15Å; S81-Y409 PolarHBondContact O-OH 3.14Å; I83-Y409 HydrophobicContact CD1-CD1 3.72Å; I83-Y409 HydrophobicContact CD1-CE1 4.35Å; I83-Y409 HydrophobicContact CD1-CG 4.2Å; I83-Y409 HydrophobicContact CG1-CD1 3.78Å; I83-Y409 HydrophobicContact CG1-CE1 3.96Å; T356-Y409 HydrophobicContact CG2-CD1 4.38Å; L392-Y409 WeakPolarHBondContact CA-O 3.31Å; V393-Y409 HydrophobicContact CG1-CD2 4.43Å; V393-Y409 PolarHBondContact N-O 3.2Å; V393-Y409 PolarHBondContact O-N 3.4Å; L405-Y409 HydrophobicContact CD2-CE2 4.05Å; R407-Y409 HydrophobicContact CG-CD2 4.44Å; R407-Y409 HydrophobicContact CG-CE1 4.49Å; R407-Y409 HydrophobicContact CG-CE2 3.68Å; R407-Y409 PolarHBondContact NE-OH 3.4Å; R407-Y409 WeakPolarHBondContact O-CD2 3.36Å; R407-Y409 WeakPolarHBondContact O-CE2 3.48Å; Y409-V411 PolarHBondContact O-N 3.06Å
410	I	98.6	Very high	98	Very high	15 Å²	15	39 Å²	39	8%	0.077	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	90.8	162.5	-62	176.6	0	0	0	105.8	I318 V327 Y340 F346 V353 N390 L392 P412	I318-I410 HydrophobicContact CG2-CD1 4.11Å; I318-I410 HydrophobicContact CG2-CG1 4.48Å; V327-I410 HydrophobicContact CG1-CD1 4.47Å; V327-I410 HydrophobicContact CG2-CD1 4.31Å; Y340-I410 HydrophobicContact CD1-CD1 4.13Å; Y340-I410 HydrophobicContact CE1-CD1 4.37Å; Y340-I410 HydrophobicContact CG-CG2 4.49Å; F346-I410 HydrophobicContact CE1-CG2 4.19Å; F346-I410 HydrophobicContact CZ-CG2 4.12Å; V353-I410 HydrophobicContact CG1-CD1 4.43Å; N390-I410 HydrophobicContact CB-CG2 3.55Å; L392-I410 HydrophobicContact CD1-CG1 4.35Å; I410-P412 WeakPolarHBondContact O-CD 3.32Å
411	V	98.8	Very high	98	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	118.5	-170.8	-172.2	0	0	0	0	109.4	I83 L138 N390 L391 V393 Y409 I413	I83-V411 HydrophobicContact CD1-CB 4.27Å; I83-V411 HydrophobicContact CD1-CG1 3.84Å; I83-V411 HydrophobicContact CD1-CG2 3.63Å; L138-V411 HydrophobicContact CB-CG1 4.27Å; L138-V411 HydrophobicContact CD1-CG2 4.46Å; L138-V411 HydrophobicContact CD2-CB 4.1Å; L138-V411 HydrophobicContact CD2-CG2 4.05Å; N390-V411 CarbonylContact C-O 3.58Å; N390-V411 WeakPolarHBondContact CA-O 3.41Å; N390-V411 WeakPolarHBondContact CB-O 3.47Å; L391-V411 PolarHBondContact N-O 3.26Å; L391-V411 PolarHBondContact O-N 3.08Å; V393-V411 HydrophobicContact CG1-CG2 3.72Å; Y409-V411 PolarHBondContact O-N 3.06Å; V411-I413 HydrophobicContact CB-CD1 4.44Å; V411-I413 HydrophobicContact CG1-CD1 4.2Å; V411-I413 PolarHBondContact O-N 2.97Å
412	P	98.8	Very high	97.9	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.006	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	126.3	174.7	32	-34.6	0	0	0	109	F68 F346 I357 Q388 N390 I410	F68-P412 HydrophobicContact CD2-CB 3.63Å; F68-P412 HydrophobicContact CD2-CG 4.23Å; F68-P412 HydrophobicContact CE2-CB 3.83Å; F68-P412 HydrophobicContact CG-CB 4.19Å; F68-P412 HydrophobicContact CG-CG 4.3Å; F346-P412 HydrophobicContact CE2-CB 4.46Å; F346-P412 HydrophobicContact CE2-CG 4.38Å; F346-P412 HydrophobicContact CZ-CB 4.24Å; I357-P412 HydrophobicContact CD1-CG 4.45Å; I357-P412 HydrophobicContact CG1-CG 4.33Å; I357-P412 HydrophobicContact CG2-CG 3.97Å; Q388-P412 HydrophobicContact CG-CB 4.46Å; N390-P412 VanDerWaalsContact OD1-CA 3.27Å; N390-P412 WeakPolarHBondContact OD1-CA 3.37Å; N390-P412 WeakPolarHBondContact OD1-CB 3.18Å; I410-P412 WeakPolarHBondContact O-CD 3.32Å
413	I	98.8	Very high	97.7	Very high	1 Å²	1	37 Å²	37	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	-51.1	-179.1	-51.9	-57.2	0	0	0	109.6	F68 L138 L140 L178 M200 V389 L391 V411	F68-I413 PolarHBondContact N-O 3.03Å; L138-I413 HydrophobicContact CB-CD1 3.81Å; L138-I413 HydrophobicContact CD2-CD1 4.39Å; L140-I413 HydrophobicContact CD2-CD1 4.38Å; L178-I413 HydrophobicContact CD1-CG2 4.21Å; L178-I413 HydrophobicContact CD2-CG2 4.41Å; M200-I413 HydrophobicContact CE-CB 3.58Å; M200-I413 HydrophobicContact CE-CG1 3.95Å; M200-I413 HydrophobicContact CE-CG2 3.61Å; M200-I413 HydrophobicContact CG-CG2 4.34Å; M200-I413 HydrophobicContact SD-CB 4.42Å; M200-I413 HydrophobicContact SD-CG2 3.91Å; V389-I413 PolarHBondContact O-N 3.21Å; L391-I413 HydrophobicContact CB-CD1 4.26Å; L391-I413 HydrophobicContact CB-CG1 4.22Å; V411-I413 HydrophobicContact CB-CD1 4.44Å; V411-I413 HydrophobicContact CG1-CD1 4.2Å; V411-I413 PolarHBondContact O-N 2.97Å
414	L	98.9	Very high	97.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	159.6	178.4	59.7	83.9	0	0	0	110.6	F65 W66 I67 L179 M200 F201 Q388 V389	F65-L414 HydrophobicContact CD1-CD1 4.18Å; W66-L414 CarbonylContact O-C 3.54Å; W66-L414 WeakPolarHBondContact O-CA 3.36Å; W66-L414 VanDerWaalsContact O-CB 3.29Å; W66-L414 WeakPolarHBondContact O-CB 3.32Å; I67-L414 HydrophobicContact CD1-CB 3.64Å; I67-L414 HydrophobicContact CD1-CD2 3.91Å; I67-L414 HydrophobicContact CD1-CG 4.45Å; L179-L414 HydrophobicContact CD2-CD2 3.58Å; M200-L414 HydrophobicContact CB-CD2 4.18Å; M200-L414 HydrophobicContact CE-CD2 4.27Å; M200-L414 HydrophobicContact CE-CG 4.2Å; M200-L414 HydrophobicContact CG-CD2 3.92Å; F201-L414 HydrophobicContact CE2-CD1 4.28Å; F201-L414 HydrophobicContact CE2-CD2 4.23Å; F201-L414 HydrophobicContact CZ-CD1 4.27Å; Q388-L414 WeakPolarHBondContact CA-O 3.5Å; Q388-L414 WeakPolarHBondContact CG-O 3.27Å; V389-L414 HydrophobicContact CB-CD1 4.3Å; V389-L414 HydrophobicContact CG2-CD1 4.01Å; V389-L414 PolarHBondContact N-O 2.78Å; V389-L414 PolarHBondContact O-N 2.71Å
415	W	98.9	Very high	97.2	Very high	5 Å²	5	36.8 Å²	36.8	2%	0.019	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	158.4	161.8	73.3	-94.5	0	0	0	110.5	W66 F68 P344 H345 L387 Q388 N417	W66-W415 HydrophobicContact CB-CD2 4.1Å; W66-W415 HydrophobicContact CB-CG 4.16Å; W66-W415 HydrophobicContact CB-CZ2 4.09Å; W66-W415 VanDerWaalsContact CB-NE1 3.28Å; W66-W415 AromaticContact CD1-CZ2 3.97Å; W66-W415 HydrophobicContact CD2-CD2 4.23Å; W66-W415 AromaticContact CD2-CE2 3.61Å; W66-W415 HydrophobicContact CD2-CE3 4.48Å; W66-W415 AromaticContact CD2-CH2 3.57Å; W66-W415 HydrophobicContact CD2-CH2 3.57Å; W66-W415 AromaticContact CD2-CZ2 3.24Å; W66-W415 HydrophobicContact CD2-CZ2 3.24Å; W66-W415 HydrophobicContact CD2-CZ3 4.19Å; W66-W415 AromaticContact CE2-CH2 3.79Å; W66-W415 AromaticContact CE2-CZ2 3.59Å; W66-W415 AromaticContact CE3-CD2 3.88Å; W66-W415 HydrophobicContact CE3-CD2 3.88Å; W66-W415 AromaticContact CE3-CE2 3.72Å; W66-W415 AromaticContact CE3-CE3 3.76Å; W66-W415 HydrophobicContact CE3-CE3 3.76Å; W66-W415 AromaticContact CE3-CH2 3.32Å; W66-W415 HydrophobicContact CE3-CH2 3.32Å; W66-W415 AromaticContact CE3-CZ2 3.46Å; W66-W415 HydrophobicContact CE3-CZ2 3.46Å; W66-W415 VanDerWaalsContact CE3-CZ2 3.46Å; W66-W415 AromaticContact CE3-CZ3 3.49Å; W66-W415 HydrophobicContact CE3-CZ3 3.49Å; W66-W415 VanDerWaalsContact CE3-CZ3 3.49Å; W66-W415 HydrophobicContact CG-CD2 4.36Å; W66-W415 AromaticContact CG-CE2 3.56Å; W66-W415 HydrophobicContact CG-CH2 4.34Å; W66-W415 AromaticContact CG-CZ2 3.54Å; W66-W415 HydrophobicContact CG-CZ2 3.54Å; W66-W415 AromaticContact CG-NE1 3.7Å; W66-W415 AromaticContact CH2-CH2 3.61Å; W66-W415 HydrophobicContact CH2-CH2 3.61Å; W66-W415 HydrophobicContact CH2-CZ2 4.28Å; W66-W415 HydrophobicContact CH2-CZ3 4.08Å; W66-W415 AromaticContact CZ2-CH2 3.83Å; W66-W415 HydrophobicContact CZ2-CH2 3.83Å; W66-W415 HydrophobicContact CZ2-CZ2 4.1Å; W66-W415 HydrophobicContact CZ3-CE3 4.09Å; W66-W415 AromaticContact CZ3-CH2 3.35Å; W66-W415 HydrophobicContact CZ3-CH2 3.35Å; W66-W415 AromaticContact CZ3-CZ2 3.98Å; W66-W415 HydrophobicContact CZ3-CZ2 3.98Å; W66-W415 AromaticContact CZ3-CZ3 3.43Å; W66-W415 HydrophobicContact CZ3-CZ3 3.43Å; W66-W415 VanDerWaalsContact CZ3-CZ3 3.43Å; W66-W415 PolarHBondContact N-O 2.91Å; W66-W415 PolarHBondContact O-N 3.31Å; F68-W415 HydrophobicContact CE2-CB 4.43Å; F68-W415 AromaticContact CE2-CD1 3.7Å; F68-W415 HydrophobicContact CE2-CG 4.47Å; F68-W415 AromaticContact CZ-CD1 3.61Å; P344-W415 HydrophobicContact CB-CB 3.88Å; P344-W415 HydrophobicContact CB-CD2 3.76Å; P344-W415 HydrophobicContact CB-CE3 3.88Å; P344-W415 HydrophobicContact CB-CG 3.78Å; P344-W415 HydrophobicContact CG-CB 4.11Å; P344-W415 HydrophobicContact CG-CD2 4.06Å; P344-W415 HydrophobicContact CG-CE3 3.68Å; P344-W415 HydrophobicContact CG-CG 4.28Å; P344-W415 HydrophobicContact CG-CZ3 4.37Å; H345-W415 AromaticContact CD2-NE1 3.97Å; H345-W415 AromaticContact NE2-NE1 3.57Å; L387-W415 CarbonylContact O-C 3.54Å; L387-W415 WeakPolarHBondContact O-CA 3.42Å; Q388-W415 HydrophobicContact CB-CB 3.87Å; Q388-W415 HydrophobicContact CG-CB 4.13Å; W415-N417 HydrophobicContact CZ3-CB 4.07Å
416	L	98.8	Very high	96.9	Very high	6 Å²	6	40.5 Å²	40.5	3%	0.031	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	151.6	-178.2	68.1	88.1	0	0	0	112.2	R63 Q64 F65 F201 R386 L387 E418	R63-L416 HydrophobicContact CG-CB 4.36Å; R63-L416 HydrophobicContact CG-CD1 4.28Å; Q64-L416 CarbonylContact O-C 3.42Å; Q64-L416 WeakPolarHBondContact O-CA 3.44Å; Q64-L416 WeakPolarHBondContact O-CB 3.26Å; F65-L416 HydrophobicContact CD1-CB 3.7Å; F65-L416 HydrophobicContact CD1-CD2 4.48Å; F65-L416 HydrophobicContact CE1-CB 3.88Å; F65-L416 HydrophobicContact CE1-CD2 3.93Å; F201-L416 HydrophobicContact CE1-CD2 4.15Å; F201-L416 HydrophobicContact CZ-CD2 3.71Å; R386-L416 VanDerWaalsContact CA-O 3.28Å; R386-L416 WeakPolarHBondContact CA-O 3.47Å; L387-L416 HydrophobicContact CD1-CD1 4.43Å; L387-L416 HydrophobicContact CD1-CD2 3.63Å; L387-L416 HydrophobicContact CD1-CG 3.85Å; L387-L416 HydrophobicContact CD2-CD1 4.35Å; L387-L416 HydrophobicContact CG-CD1 3.9Å; L387-L416 HydrophobicContact CG-CD2 4.02Å; L387-L416 HydrophobicContact CG-CG 3.82Å; L387-L416 PolarHBondContact N-O 2.91Å; L387-L416 PolarHBondContact O-N 2.88Å; L416-E418 HydrophobicContact CD1-CB 4.25Å
417	N	98.8	Very high	96.7	Very high	16 Å²	16	32.2 Å²	32.2	9%	0.086	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	106.1	165.9	-179.8	28	0	0	0	108.4	R63 Q64 W66 R386 W415	R63-N417 WeakPolarHBondContact CA-O 3.41Å; Q64-N417 HydrophobicContact CB-CB 4.41Å; Q64-N417 PolarHBondContact N-O 3.37Å; Q64-N417 PolarHBondContact O-N 2.89Å; Q64-N417 PolarHBondContact OE1-ND2 2.78Å; W66-N417 HydrophobicContact CH2-CB 4.28Å; W66-N417 HydrophobicContact CZ3-CB 3.84Å; R386-N417 HydrophobicContact CG-CB 4.33Å; W415-N417 HydrophobicContact CZ3-CB 4.07Å
418	E	98.6	Very high	96.4	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.019	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	113.8	166.7	-177.9	173.5	121.7	0	0	109	I61 Y62 R63 V95 R96 F383 K385 L416	I61-E418 HydrophobicContact CG2-CG 3.78Å; Y62-E418 CarbonylContact O-C 2.96Å; Y62-E418 VanDerWaalsContact O-CA 3.3Å; Y62-E418 WeakPolarHBondContact O-CA 3.3Å; R63-E418 HydrophobicContact CB-CB 4.5Å; R63-E418 HydrophobicContact CG-CB 4.29Å; R63-E418 IonicContact CZ-OE2 3.14Å; R63-E418 IonicContact NE-OE2 3.1Å; R63-E418 PolarHBondContact NE-OE2 3.35Å; R63-E418 IonicContact NH2-OE2 2.71Å; R63-E418 PolarHBondContact NH2-OE2 3.34Å; V95-E418 HydrophobicContact CG2-CG 4.43Å; R96-E418 IonicContact CZ-OE1 3.1Å; R96-E418 IonicContact NE-OE1 2.62Å; R96-E418 PolarHBondContact NE-OE1 2.8Å; R96-E418 IonicContact NH2-OE1 2.88Å; R96-E418 PolarHBondContact NH2-OE1 3.07Å; F383-E418 WeakPolarHBondContact CD2-O 3.19Å; F383-E418 HydrophobicContact CE2-CG 4.05Å; F383-E418 VanDerWaalsContact CE2-O 3.23Å; F383-E418 WeakPolarHBondContact CE2-O 3.46Å; F383-E418 HydrophobicContact CZ-CG 4.39Å; K385-E418 HydrophobicContact CB-CB 4.25Å; K385-E418 PolarHBondContact N-O 3.45Å; K385-E418 PolarHBondContact O-N 3.24Å; L416-E418 HydrophobicContact CD1-CB 4.25Å
419	T	98.3	Very high	96	Very high	33 Å²	33	35 Å²	35	20%	0.202	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	147.9	-170.5	-174.9	0	0	0	0	111	I61 Y62 F383	I61-T419 WeakPolarHBondContact CA-O 3.5Å; Y62-T419 PolarHBondContact N-O 3.48Å; Y62-T419 PolarHBondContact O-N 3.45Å; F383-T419 VanDerWaalsContact O-CA 3.27Å; F383-T419 WeakPolarHBondContact O-CA 3.2Å; F383-T419 PolarHBondContact O-OG1 3.24Å
420	G	97	Very high	95.5	Very high	4 Å²	4	35.9 Å²	35.9	4%	0.041	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	145.3	173.2	0	0	0	0	0	109.5	Q382 F383	Q382-G420 VanDerWaalsContact CA-O 3.26Å; Q382-G420 WeakPolarHBondContact CA-O 3.4Å; F383-G420 PolarHBondContact N-O 3.02Å; F383-G420 PolarHBondContact O-N 3.49Å
421	T	97.1	Very high	95.1	Very high	56 Å²	56	39.6 Å²	39.6	34%	0.344	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	142.1	174.4	-179.8	0	0	0	0	109.9	T59 Q382 G423	T59-T421 VanDerWaalsContact CG2-O 3.28Å; T59-T421 WeakPolarHBondContact CG2-O 3.18Å; Q382-T421 PolarHBondContact OE1-OG1 2.89Å; T421-G423 PolarHBondContact O-N 2.69Å
422	I	94.6	Very high	94.4	Very high	10 Å²	10	43.6 Å²	43.6	5%	0.051	23%	0.227	C	C	.	.			trans	-53.7	129.3	173.5	-170.6	171.9	0	0	0	111.4	L285 K286 I288 L381 K426 A427 F430	L285-I422 HydrophobicContact CD2-CG2 3.83Å; L285-I422 HydrophobicContact CG-CG2 4.23Å; K286-I422 HydrophobicContact CD-CG2 4.33Å; K286-I422 VanDerWaalsContact CE-O 3.25Å; K286-I422 WeakPolarHBondContact CE-O 3.2Å; K286-I422 PolarHBondContact NZ-O 2.88Å; I288-I422 HydrophobicContact CD1-CD1 4.37Å; L381-I422 HydrophobicContact CB-CG2 4.31Å; L381-I422 HydrophobicContact CD2-CD1 4.36Å; L381-I422 PolarHBondContact O-N 2.75Å; I422-K426 HydrophobicContact CD1-CB 4.14Å; I422-K426 HydrophobicContact CG1-CB 3.76Å; I422-A427 HydrophobicContact CD1-CB 4.18Å; I422-A427 HydrophobicContact CG1-CB 4.28Å; I422-A427 HydrophobicContact CG2-CB 4.29Å; I422-F430 HydrophobicContact CD1-CB 4.4Å
423	G	93.8	Very high	93.5	Very high	32 Å²	32	47.5 Å²	47.5	33%	0.33	25%	0.245	S	C	.	.			trans	-68.5	156.7	175.4	0	0	0	0	0	112.6	T421 E425 K426 A427	T421-G423 PolarHBondContact O-N 2.69Å; G423-E425 PolarHBondContact O-N 3.41Å; G423-K426 PolarHBondContact O-N 3.16Å; G423-A427 WeakPolarHBondContact O-CB 3.23Å; G423-A427 PolarHBondContact O-N 3.08Å
424	D	93.8	Very high	92.6	Very high	99 Å²	99	48.1 Å²	48.1	53%	0.529	25%	0.249	S	C	.	.	H	α-helix	trans	-62.8	-38.2	-173	-61.7	-52.3	0	0	0	113.7	K286 A427 K428	K286-D424 VanDerWaalsContact CD-OD1 3.29Å; K286-D424 WeakPolarHBondContact CD-OD1 3.29Å; K286-D424 VanDerWaalsContact CE-OD1 3.27Å; K286-D424 WeakPolarHBondContact CE-OD1 3.47Å; K286-D424 IonicContact NZ-OD1 2.8Å; K286-D424 PolarHBondContact NZ-OD1 3.29Å; K286-D424 IonicContact NZ-OD2 2.78Å; D424-A427 PolarHBondContact O-N 3.43Å; D424-K428 WeakPolarHBondContact O-CB 3.4Å; D424-K428 VanDerWaalsContact O-CG 3.3Å; D424-K428 WeakPolarHBondContact O-CG 3.14Å; D424-K428 PolarHBondContact O-N 2.88Å
425	E	91.5	Very high	91.5	Very high	163 Å²	163	49.1 Å²	49.1	76%	0.762	26%	0.255	S	S	*	.	H	α-helix	trans	-64.3	-43.9	175.7	-64.7	-169.6	161.3	0	0	111.9	G423 K428 M429	G423-E425 PolarHBondContact O-N 3.41Å; E425-K428 PolarHBondContact O-N 3.33Å; E425-M429 WeakPolarHBondContact O-CB 3.43Å; E425-M429 PolarHBondContact O-N 3.15Å
426	K	90.4	Very high	90.4	Very high	86 Å²	86	50.5 Å²	50.5	37%	0.374	27%	0.271	S	S	.	.	H	α-helix	trans	-67.6	-37	177	-66.9	-65.4	-177.6	-180	0	111.5	I422 G423 M429 F430	I422-K426 HydrophobicContact CD1-CB 4.14Å; I422-K426 HydrophobicContact CG1-CB 3.76Å; G423-K426 PolarHBondContact O-N 3.16Å; K426-M429 HydrophobicContact CD-CE 3.92Å; K426-M429 PolarHBondContact O-N 3.39Å; K426-F430 VanDerWaalsContact O-CB 3.29Å; K426-F430 WeakPolarHBondContact O-CB 3.49Å; K426-F430 PolarHBondContact O-N 3.02Å
427	A	92.8	Very high	89.2	Confident	2 Å²	2	57 Å²	57	2%	0.017	30%	0.298	C	S	.	.	H	α-helix	trans	-64.4	-42.7	173.7	0	0	0	0	0	111.7	K286 I288 I422 G423 D424 F430 R431	K286-A427 HydrophobicContact CB-CB 3.99Å; K286-A427 HydrophobicContact CD-CB 4Å; I288-A427 HydrophobicContact CD1-CB 4.04Å; I422-A427 HydrophobicContact CD1-CB 4.18Å; I422-A427 HydrophobicContact CG1-CB 4.28Å; I422-A427 HydrophobicContact CG2-CB 4.29Å; G423-A427 WeakPolarHBondContact O-CB 3.23Å; G423-A427 PolarHBondContact O-N 3.08Å; D424-A427 PolarHBondContact O-N 3.43Å; A427-F430 PolarHBondContact O-N 3.48Å; A427-R431 WeakPolarHBondContact O-CG 3.4Å; A427-R431 PolarHBondContact O-N 3.25Å
428	K	91.6	Very high	88.2	Confident	129 Å²	129	57.9 Å²	57.9	56%	0.561	30%	0.303	S	S	*	.	H	α-helix	trans	-60.3	-46.1	172.6	-73.6	171.4	-175.5	177.2	0	111.6	D424 E425 R431 S432	D424-K428 WeakPolarHBondContact O-CB 3.4Å; D424-K428 VanDerWaalsContact O-CG 3.3Å; D424-K428 WeakPolarHBondContact O-CG 3.14Å; D424-K428 PolarHBondContact O-N 2.88Å; E425-K428 PolarHBondContact O-N 3.33Å; K428-R431 PolarHBondContact O-N 2.88Å; K428-S432 WeakPolarHBondContact O-CB 3.43Å; K428-S432 PolarHBondContact O-N 2.83Å
429	M	88	Confident	87.2	Confident	70 Å²	70	62.6 Å²	62.6	35%	0.345	33%	0.328	S	S	.	.	H	α-helix	trans	-61.7	-45.5	177.4	-170.6	-176.6	77.7	0	0	111.5	E425 K426 S432 Q433	E425-M429 WeakPolarHBondContact O-CB 3.43Å; E425-M429 PolarHBondContact O-N 3.15Å; K426-M429 HydrophobicContact CD-CE 3.92Å; K426-M429 PolarHBondContact O-N 3.39Å; M429-S432 PolarHBondContact O-N 3.4Å; M429-Q433 HydrophobicContact CG-CG 4.4Å; M429-Q433 WeakPolarHBondContact O-CB 3.41Å; M429-Q433 WeakPolarHBondContact O-CG 3.48Å; M429-Q433 PolarHBondContact O-N 2.54Å
430	F	88.8	Confident	86.3	Confident	20 Å²	20	65.9 Å²	65.9	9%	0.088	34%	0.344	C	S	.	.	H	α-helix	trans	-59.1	-49.3	177.2	-173.3	-84.6	0	0	0	111.2	I288 E374 T377 F379 I422 K426 A427 S432 Q433 V434	I288-F430 HydrophobicContact CD1-CB 4.15Å; I288-F430 HydrophobicContact CD1-CD1 3.66Å; I288-F430 HydrophobicContact CD1-CE1 4.45Å; I288-F430 HydrophobicContact CD1-CG 4.13Å; I288-F430 HydrophobicContact CG1-CD1 4.07Å; I288-F430 HydrophobicContact CG2-CD1 4.06Å; I288-F430 HydrophobicContact CG2-CE1 3.82Å; E374-F430 HydrophobicContact CB-CZ 4.23Å; E374-F430 HydrophobicContact CG-CE1 3.74Å; E374-F430 HydrophobicContact CG-CZ 3.65Å; T377-F430 HydrophobicContact CG2-CE2 4.17Å; T377-F430 HydrophobicContact CG2-CZ 3.98Å; F379-F430 HydrophobicContact CD2-CE2 4.09Å; I422-F430 HydrophobicContact CD1-CB 4.4Å; K426-F430 VanDerWaalsContact O-CB 3.29Å; K426-F430 WeakPolarHBondContact O-CB 3.49Å; K426-F430 PolarHBondContact O-N 3.02Å; A427-F430 PolarHBondContact O-N 3.48Å; F430-S432 VanDerWaalsContact C-N 3.33Å; F430-S432 PolarHBondContact O-N 3.17Å; F430-Q433 PolarHBondContact O-N 2.77Å; F430-V434 HydrophobicContact CD1-CB 4.44Å; F430-V434 HydrophobicContact CD2-CG2 4.28Å; F430-V434 HydrophobicContact CE1-CB 4.14Å; F430-V434 HydrophobicContact CE1-CG1 4.31Å; F430-V434 HydrophobicContact CE1-CG2 4.47Å; F430-V434 HydrophobicContact CE2-CG2 4.09Å; F430-V434 HydrophobicContact CZ-CB 4.22Å; F430-V434 HydrophobicContact CZ-CG1 4.19Å; F430-V434 HydrophobicContact CZ-CG2 4.19Å; F430-V434 WeakPolarHBondContact O-CB 3.32Å; F430-V434 PolarHBondContact O-N 2.99Å
431	R	88.6	Confident	85.5	Confident	94 Å²	94	67.8 Å²	67.8	36%	0.355	35%	0.353	S	S	.	.	I	π-helix	trans	-60	-41.7	175.8	-70.2	-176.4	-52.6	-174.9	11.2	112	K286 G287 I288 A427 K428 T435 G436	K286-R431 PolarHBondContact O-NH1 2.96Å; G287-R431 WeakPolarHBondContact O-CD 3.41Å; I288-R431 HydrophobicContact CD1-CG 4.22Å; I288-R431 HydrophobicContact CG1-CG 3.51Å; A427-R431 WeakPolarHBondContact O-CG 3.4Å; A427-R431 PolarHBondContact O-N 3.25Å; K428-R431 PolarHBondContact O-N 2.88Å; R431-T435 CarbonylContact O-C 3.56Å; R431-T435 PolarHBondContact O-N 3.44Å; R431-G436 WeakPolarHBondContact O-CA 3.34Å; R431-G436 PolarHBondContact O-N 3.43Å
432	S	84.3	Confident	84.7	Confident	85 Å²	85	66.3 Å²	66.3	59%	0.594	35%	0.349	S	S	*	.	I	π-helix	trans	-67.5	-41.5	179.5	175.1	0	0	0	0	112.6	K428 M429 F430	K428-S432 WeakPolarHBondContact O-CB 3.43Å; K428-S432 PolarHBondContact O-N 2.83Å; M429-S432 PolarHBondContact O-N 3.4Å; F430-S432 VanDerWaalsContact C-N 3.33Å; F430-S432 PolarHBondContact O-N 3.17Å
433	Q	80.4	Confident	84.2	Confident	82 Å²	82	70.6 Å²	70.6	38%	0.383	37%	0.371	S	S	.	.	I	π-helix	trans	-84	-31.9	-173.1	-69.8	-177.4	-22	0	0	113.6	M429 F430 K437	M429-Q433 HydrophobicContact CG-CG 4.4Å; M429-Q433 WeakPolarHBondContact O-CB 3.41Å; M429-Q433 WeakPolarHBondContact O-CG 3.48Å; M429-Q433 PolarHBondContact O-N 2.54Å; F430-Q433 PolarHBondContact O-N 2.77Å; Q433-K437 WeakPolarHBondContact O-CD 3.49Å
434	V	80	Confident	83.8	Confident	15 Å²	15	72.5 Å²	72.5	9%	0.091	37%	0.373	C	S	.	.	I	π-helix	trans	-109.9	-75.6	-174.8	-173.4	0	0	0	0	109.8	I38 T377 F430 G436 K437 I438	I38-V434 HydrophobicContact CD1-CG1 4.1Å; T377-V434 HydrophobicContact CG2-CG1 4.11Å; F430-V434 HydrophobicContact CD1-CB 4.44Å; F430-V434 HydrophobicContact CD2-CG2 4.28Å; F430-V434 HydrophobicContact CE1-CB 4.14Å; F430-V434 HydrophobicContact CE1-CG1 4.31Å; F430-V434 HydrophobicContact CE1-CG2 4.47Å; F430-V434 HydrophobicContact CE2-CG2 4.09Å; F430-V434 HydrophobicContact CZ-CB 4.22Å; F430-V434 HydrophobicContact CZ-CG1 4.19Å; F430-V434 HydrophobicContact CZ-CG2 4.19Å; F430-V434 WeakPolarHBondContact O-CB 3.32Å; F430-V434 PolarHBondContact O-N 2.99Å; V434-G436 VanDerWaalsContact C-N 3.35Å; V434-G436 PolarHBondContact O-N 3.18Å; V434-K437 PolarHBondContact O-N 2.87Å; V434-I438 HydrophobicContact CG1-CD1 4.21Å; V434-I438 WeakPolarHBondContact O-CG1 3.2Å; V434-I438 PolarHBondContact O-N 3.02Å
435	T	75.2	Confident	83.3	Confident	21 Å²	21	68.6 Å²	68.6	13%	0.129	35%	0.352	C	S	.	.	I	π-helix	trans	-61.6	-38	-170.8	-41.2	0	0	0	0	113.6	R431 I438 N439	R431-T435 CarbonylContact O-C 3.56Å; R431-T435 PolarHBondContact O-N 3.44Å; T435-I438 PolarHBondContact O-N 2.83Å; T435-N439 WeakPolarHBondContact O-CB 3.31Å; T435-N439 VanDerWaalsContact O-CG 3.22Å; T435-N439 PolarHBondContact O-N 3.05Å; T435-N439 PolarHBondContact O-OD1 3.3Å
436	G	75.3	Confident	83	Confident	34 Å²	34	65.9 Å²	65.9	35%	0.351	34%	0.34	S	S	.	.	H	α-helix	trans	-72	-37.8	-174.3	0	0	0	0	0	112.4	R431 V434 I438 L440	R431-G436 WeakPolarHBondContact O-CA 3.34Å; R431-G436 PolarHBondContact O-N 3.43Å; V434-G436 VanDerWaalsContact C-N 3.35Å; V434-G436 PolarHBondContact O-N 3.18Å; G436-I438 VanDerWaalsContact C-N 3.33Å; G436-L440 WeakPolarHBondContact O-CB 3.32Å; G436-L440 PolarHBondContact O-N 2.89Å
437	K	75.1	Confident	83	Confident	142 Å²	142	66.1 Å²	66.1	62%	0.617	35%	0.345	S	S	*	.	H	α-helix	trans	-66	-39.9	173.5	-66.8	-173	-177	174.7	0	111.2	Q433 V434 L441	Q433-K437 WeakPolarHBondContact O-CD 3.49Å; V434-K437 PolarHBondContact O-N 2.87Å; K437-L441 WeakPolarHBondContact O-CB 3.28Å; K437-L441 PolarHBondContact O-N 2.97Å; K437-L441 VanDerWaalsContact O-N 3.13Å
438	I	76.9	Confident	82.8	Confident	35 Å²	35	68 Å²	68	18%	0.179	35%	0.354	C	S	.	.	H	α-helix	trans	-65.8	-50.3	177.8	-64.3	172.6	0	0	0	110.4	I34 I376 V434 T435 G436 L440 L441 G442	I34-I438 HydrophobicContact CD1-CB 4.26Å; I34-I438 HydrophobicContact CD1-CG1 4.02Å; I34-I438 HydrophobicContact CD1-CG2 4.04Å; I34-I438 HydrophobicContact CG1-CG1 4.15Å; I34-I438 HydrophobicContact CG2-CD1 3.82Å; I34-I438 HydrophobicContact CG2-CG1 3.79Å; I376-I438 HydrophobicContact CD1-CD1 3.74Å; I376-I438 HydrophobicContact CG2-CD1 4.3Å; V434-I438 HydrophobicContact CG1-CD1 4.21Å; V434-I438 WeakPolarHBondContact O-CG1 3.2Å; V434-I438 PolarHBondContact O-N 3.02Å; T435-I438 PolarHBondContact O-N 2.83Å; G436-I438 VanDerWaalsContact C-N 3.33Å; I438-L440 PolarHBondContact O-N 2.93Å; I438-L441 PolarHBondContact O-N 3.4Å; I438-G442 PolarHBondContact O-N 3.14Å
439	N	76.8	Confident	82.8	Confident	103 Å²	103	64.4 Å²	64.4	55%	0.551	34%	0.341	S	S	*	.	H	α-helix	trans	-64.7	-37.5	179.5	-71.4	-3.2	0	0	0	112.6	T435 L443	T435-N439 WeakPolarHBondContact O-CB 3.31Å; T435-N439 VanDerWaalsContact O-CG 3.22Å; T435-N439 PolarHBondContact O-N 3.05Å; T435-N439 PolarHBondContact O-OD1 3.3Å; N439-L443 VanDerWaalsContact O-CB 3.23Å; N439-L443 WeakPolarHBondContact O-CB 3.07Å; N439-L443 PolarHBondContact O-N 3.22Å
440	L	80.1	Confident	82.9	Confident	101 Å²	101	63.9 Å²	63.9	53%	0.529	34%	0.344	S	S	.	.	H	α-helix	trans	-63.7	-42.9	176.4	178.3	62.7	0	0	0	111.2	G436 I438 L443 I444	G436-L440 WeakPolarHBondContact O-CB 3.32Å; G436-L440 PolarHBondContact O-N 2.89Å; I438-L440 PolarHBondContact O-N 2.93Å; L440-L443 PolarHBondContact O-N 2.98Å; L440-I444 HydrophobicContact CD1-CD1 4.09Å; L440-I444 HydrophobicContact CD1-CG1 4.36Å; L440-I444 HydrophobicContact CG-CD1 4Å; L440-I444 VanDerWaalsContact O-CG1 3.29Å; L440-I444 WeakPolarHBondContact O-CG1 3.34Å; L440-I444 PolarHBondContact O-N 3.08Å
441	L	80.3	Confident	83.1	Confident	45 Å²	45	66.3 Å²	66.3	24%	0.236	36%	0.36	C	S	.	.	H	α-helix	trans	-62.9	-50.2	177.9	-166.6	68.9	0	0	0	110.7	L26 G30 I34 K437 I438 L443 I444 E445	L26-L441 HydrophobicContact CD2-CD1 4.23Å; G30-L441 VanDerWaalsContact CA-CD2 3.43Å; I34-L441 HydrophobicContact CD1-CD2 3.64Å; I34-L441 HydrophobicContact CG1-CD2 3.95Å; K437-L441 WeakPolarHBondContact O-CB 3.28Å; K437-L441 PolarHBondContact O-N 2.97Å; K437-L441 VanDerWaalsContact O-N 3.13Å; I438-L441 PolarHBondContact O-N 3.4Å; L441-L443 VanDerWaalsContact C-N 3.29Å; L441-L443 PolarHBondContact O-N 3.27Å; L441-I444 PolarHBondContact O-N 3.17Å; L441-I444 VanDerWaalsContact O-N 3.17Å; L441-E445 WeakPolarHBondContact CG-OE1 3.3Å; L441-E445 VanDerWaalsContact O-CG 3.27Å; L441-E445 WeakPolarHBondContact O-CG 3.41Å; L441-E445 PolarHBondContact O-N 2.94Å
442	G	79.9	Confident	83.3	Confident	25 Å²	25	61.8 Å²	61.8	26%	0.258	34%	0.343	S	S	.	.	H	α-helix	trans	-61.3	-34.3	176.3	0	0	0	0	0	113.6	I438 E445 M446	I438-G442 PolarHBondContact O-N 3.14Å; G442-E445 PolarHBondContact O-N 2.81Å; G442-M446 WeakPolarHBondContact O-CB 3.36Å; G442-M446 VanDerWaalsContact O-CG 3.27Å; G442-M446 WeakPolarHBondContact O-CG 3.26Å; G442-M446 PolarHBondContact O-N 2.93Å
443	L	84.2	Confident	83.8	Confident	100 Å²	100	61.1 Å²	61.1	52%	0.524	34%	0.336	S	S	.	.	H	α-helix	trans	-68.7	-42.4	175.2	-176.7	130.2	0	0	0	111.9	N439 L440 L441 E445 M446 I447	N439-L443 VanDerWaalsContact O-CB 3.23Å; N439-L443 WeakPolarHBondContact O-CB 3.07Å; N439-L443 PolarHBondContact O-N 3.22Å; L440-L443 PolarHBondContact O-N 2.98Å; L441-L443 VanDerWaalsContact C-N 3.29Å; L441-L443 PolarHBondContact O-N 3.27Å; L443-E445 VanDerWaalsContact C-N 3.33Å; L443-M446 PolarHBondContact O-N 3.43Å; L443-I447 HydrophobicContact CD2-CD1 3.54Å; L443-I447 HydrophobicContact CG-CD1 4.04Å; L443-I447 WeakPolarHBondContact O-CB 3.39Å; L443-I447 VanDerWaalsContact O-CG1 3.26Å; L443-I447 WeakPolarHBondContact O-CG1 3.37Å; L443-I447 PolarHBondContact O-N 3.18Å
444	I	85.2	Confident	84.4	Confident	71 Å²	71	61.9 Å²	61.9	36%	0.364	35%	0.346	S	S	.	.	H	α-helix	trans	-62	-43.8	174.6	-70.3	166.9	0	0	0	110.3	L440 L441 I447 L448	L440-I444 HydrophobicContact CD1-CD1 4.09Å; L440-I444 HydrophobicContact CD1-CG1 4.36Å; L440-I444 HydrophobicContact CG-CD1 4Å; L440-I444 VanDerWaalsContact O-CG1 3.29Å; L440-I444 WeakPolarHBondContact O-CG1 3.34Å; L440-I444 PolarHBondContact O-N 3.08Å; L441-I444 PolarHBondContact O-N 3.17Å; L441-I444 VanDerWaalsContact O-N 3.17Å; I444-I447 PolarHBondContact O-N 3.15Å; I444-L448 HydrophobicContact CG2-CD1 3.76Å; I444-L448 HydrophobicContact CG2-CG 4.34Å; I444-L448 WeakPolarHBondContact O-CB 3.44Å; I444-L448 VanDerWaalsContact O-CG 3.32Å; I444-L448 WeakPolarHBondContact O-CG 3.47Å; I444-L448 PolarHBondContact O-N 2.79Å
445	E	84.2	Confident	85.1	Confident	17 Å²	17	63.6 Å²	63.6	8%	0.079	35%	0.353	C	S	.	.	H	α-helix	trans	-58.1	-50.4	175.7	-71.6	166.7	-170.7	0	0	111.6	L26 M27 L441 G442 L443 I447 L448 L449	L26-E445 HydrophobicContact CB-CG 4.15Å; L26-E445 HydrophobicContact CD2-CG 3.57Å; L26-E445 HydrophobicContact CG-CG 4.4Å; M27-E445 HydrophobicContact CE-CB 4.36Å; M27-E445 HydrophobicContact CG-CB 4.07Å; M27-E445 HydrophobicContact CG-CG 4.24Å; L441-E445 WeakPolarHBondContact CG-OE1 3.3Å; L441-E445 VanDerWaalsContact O-CG 3.27Å; L441-E445 WeakPolarHBondContact O-CG 3.41Å; L441-E445 PolarHBondContact O-N 2.94Å; G442-E445 PolarHBondContact O-N 2.81Å; L443-E445 VanDerWaalsContact C-N 3.33Å; E445-I447 PolarHBondContact O-N 3.19Å; E445-L448 PolarHBondContact O-N 3.44Å; E445-L449 WeakPolarHBondContact O-CB 3.4Å; E445-L449 PolarHBondContact O-N 3.47Å
446	M	85.4	Confident	85.9	Confident	106 Å²	106	66.7 Å²	66.7	52%	0.522	37%	0.365	S	S	.	.	H	α-helix	trans	-60.8	-42.6	177.9	-76.6	-65.2	-65.4	0	0	111.9	M27 G442 L443 S450	M27-M446 HydrophobicContact CE-SD 4.37Å; G442-M446 WeakPolarHBondContact O-CB 3.36Å; G442-M446 VanDerWaalsContact O-CG 3.27Å; G442-M446 WeakPolarHBondContact O-CG 3.26Å; G442-M446 PolarHBondContact O-N 2.93Å; L443-M446 PolarHBondContact O-N 3.43Å; M446-S450 WeakPolarHBondContact O-CB 3.28Å; M446-S450 PolarHBondContact O-N 3.13Å; M446-S450 PolarHBondContact O-OG 2.8Å
447	I	89.6	Confident	86.8	Confident	92 Å²	92	68.4 Å²	68.4	47%	0.472	37%	0.368	S	S	.	.	H	α-helix	trans	-64.4	-48.3	177.8	-71.2	169.2	0	0	0	110.8	L443 I444 E445 L449 S450 V451	L443-I447 HydrophobicContact CD2-CD1 3.54Å; L443-I447 HydrophobicContact CG-CD1 4.04Å; L443-I447 WeakPolarHBondContact O-CB 3.39Å; L443-I447 VanDerWaalsContact O-CG1 3.26Å; L443-I447 WeakPolarHBondContact O-CG1 3.37Å; L443-I447 PolarHBondContact O-N 3.18Å; I444-I447 PolarHBondContact O-N 3.15Å; E445-I447 PolarHBondContact O-N 3.19Å; I447-L449 VanDerWaalsContact C-N 3.33Å; I447-L449 PolarHBondContact O-N 2.87Å; I447-S450 PolarHBondContact O-N 3.23Å; I447-V451 HydrophobicContact CG2-CG2 4.09Å; I447-V451 VanDerWaalsContact O-CB 3.31Å; I447-V451 WeakPolarHBondContact O-CB 3.47Å; I447-V451 VanDerWaalsContact O-CG2 3.27Å; I447-V451 WeakPolarHBondContact O-CG2 3.4Å; I447-V451 PolarHBondContact O-N 2.87Å
448	L	89.1	Confident	87.6	Confident	40 Å²	40	63.9 Å²	63.9	21%	0.209	36%	0.358	C	S	.	.	H	α-helix	trans	-59.4	-45	-179.9	-76	168.4	0	0	0	111.5	L19 F22 I444 E445 G452	L19-L448 HydrophobicContact CD2-CD2 4Å; F22-L448 HydrophobicContact CD1-CD1 4.2Å; I444-L448 HydrophobicContact CG2-CD1 3.76Å; I444-L448 HydrophobicContact CG2-CG 4.34Å; I444-L448 WeakPolarHBondContact O-CB 3.44Å; I444-L448 VanDerWaalsContact O-CG 3.32Å; I444-L448 WeakPolarHBondContact O-CG 3.47Å; I444-L448 PolarHBondContact O-N 2.79Å; E445-L448 PolarHBondContact O-N 3.44Å; L448-G452 PolarHBondContact O-N 2.77Å
449	L	90.7	Very high	88.4	Confident	55 Å²	55	65.5 Å²	65.5	29%	0.288	36%	0.363	S	S	.	.	H	α-helix	trans	-64.8	-49.4	177.5	-171.8	71.9	0	0	0	111.3	A20 M27 E445 I447 G452 V453	A20-L449 WeakPolarHBondContact O-CD1 3.39Å; M27-L449 HydrophobicContact CE-CB 4.4Å; M27-L449 HydrophobicContact CE-CD2 3.66Å; E445-L449 WeakPolarHBondContact O-CB 3.4Å; E445-L449 PolarHBondContact O-N 3.47Å; I447-L449 VanDerWaalsContact C-N 3.33Å; I447-L449 PolarHBondContact O-N 2.87Å; L449-G452 PolarHBondContact O-N 2.57Å; L449-V453 WeakPolarHBondContact O-CB 3.4Å; L449-V453 VanDerWaalsContact O-CG2 3.27Å; L449-V453 WeakPolarHBondContact O-CG2 3.44Å; L449-V453 PolarHBondContact O-N 3.44Å
450	S	90.9	Very high	89	Confident	59 Å²	59	64 Å²	64	41%	0.413	35%	0.354	S	S	.	.	H	α-helix	trans	-61.3	-50.3	-177.8	-54.9	0	0	0	0	111.6	M446 I447 V453 V454	M446-S450 WeakPolarHBondContact O-CB 3.28Å; M446-S450 PolarHBondContact O-N 3.13Å; M446-S450 PolarHBondContact O-OG 2.8Å; I447-S450 PolarHBondContact O-N 3.23Å; S450-V453 PolarHBondContact O-N 2.88Å; S450-V454 WeakPolarHBondContact O-CB 3.36Å; S450-V454 VanDerWaalsContact O-CG2 3.25Å; S450-V454 WeakPolarHBondContact O-CG2 3.46Å; S450-V454 PolarHBondContact O-N 3.02Å
451	V	93.6	Very high	89.5	Confident	70 Å²	70	64.4 Å²	64.4	42%	0.424	36%	0.355	S	S	.	.	H	α-helix	trans	-65.8	-42.6	-179.8	174	0	0	0	0	110.4	I447 V453 V454 M455	I447-V451 HydrophobicContact CG2-CG2 4.09Å; I447-V451 VanDerWaalsContact O-CB 3.31Å; I447-V451 WeakPolarHBondContact O-CB 3.47Å; I447-V451 VanDerWaalsContact O-CG2 3.27Å; I447-V451 WeakPolarHBondContact O-CG2 3.4Å; I447-V451 PolarHBondContact O-N 2.87Å; V451-V453 PolarHBondContact O-N 3.26Å; V451-V454 PolarHBondContact O-N 2.92Å; V451-M455 HydrophobicContact CG1-CE 4.12Å; V451-M455 HydrophobicContact CG1-CG 4.27Å; V451-M455 HydrophobicContact CG1-SD 4.25Å; V451-M455 WeakPolarHBondContact O-CB 3.18Å; V451-M455 VanDerWaalsContact O-CG 3.31Å; V451-M455 WeakPolarHBondContact O-CG 3.25Å; V451-M455 PolarHBondContact O-N 3.14Å
452	G	92.6	Very high	89.9	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-58.4	-48.9	177.2	0	0	0	0	0	112.6	G16 L448 L449 F456	G16-G452 CarbonylContact C-O 3.35Å; G16-G452 WeakPolarHBondContact CA-O 3.36Å; G16-G452 CarbonylContact O-C 3.5Å; G16-G452 VanDerWaalsContact O-CA 3.22Å; G16-G452 WeakPolarHBondContact O-CA 3.46Å; G16-G452 VanDerWaalsContact O-O 3.13Å; L448-G452 PolarHBondContact O-N 2.77Å; L449-G452 PolarHBondContact O-N 2.57Å; G452-F456 WeakPolarHBondContact O-CB 3.44Å; G452-F456 PolarHBondContact O-N 3.18Å
453	V	93.4	Very high	90.3	Very high	71 Å²	71	65.9 Å²	65.9	43%	0.43	36%	0.359	S	S	.	.	H	α-helix	trans	-64.5	-46.9	179	172.4	0	0	0	0	111.4	A20 L449 S450 V451 M455 F456 V457	A20-V453 HydrophobicContact CB-CG2 4.07Å; L449-V453 WeakPolarHBondContact O-CB 3.4Å; L449-V453 VanDerWaalsContact O-CG2 3.27Å; L449-V453 WeakPolarHBondContact O-CG2 3.44Å; L449-V453 PolarHBondContact O-N 3.44Å; S450-V453 PolarHBondContact O-N 2.88Å; V451-V453 PolarHBondContact O-N 3.26Å; V453-M455 PolarHBondContact O-N 3.5Å; V453-F456 PolarHBondContact O-N 3.43Å; V453-V457 HydrophobicContact CG1-CG2 4.41Å; V453-V457 VanDerWaalsContact O-CG2 3.32Å; V453-V457 WeakPolarHBondContact O-CG2 3.44Å; V453-V457 PolarHBondContact O-N 2.91Å
454	V	94.8	Very high	90.4	Very high	98 Å²	98	64.6 Å²	64.6	59%	0.594	36%	0.357	S	S	*	.	H	α-helix	trans	-61.6	-45.5	179.8	170.4	0	0	0	0	111	S450 V451 V457 A458	S450-V454 WeakPolarHBondContact O-CB 3.36Å; S450-V454 VanDerWaalsContact O-CG2 3.25Å; S450-V454 WeakPolarHBondContact O-CG2 3.46Å; S450-V454 PolarHBondContact O-N 3.02Å; V451-V454 PolarHBondContact O-N 2.92Å; V454-V457 PolarHBondContact O-N 3.06Å; V454-A458 VanDerWaalsContact O-CB 3.25Å; V454-A458 WeakPolarHBondContact O-CB 3.27Å; V454-A458 PolarHBondContact O-N 2.78Å
455	M	93.1	Very high	90.4	Very high	50 Å²	50	63.7 Å²	63.7	25%	0.246	36%	0.36	C	S	.	.	H	α-helix	trans	-63.4	-46.9	177.2	-72.5	-160.9	-49	0	0	111.6	I15 L19 V451 V453 V457 A458 F459	I15-M455 HydrophobicContact CG2-CE 4.1Å; L19-M455 HydrophobicContact CD1-CE 3.3Å; V451-M455 HydrophobicContact CG1-CE 4.12Å; V451-M455 HydrophobicContact CG1-CG 4.27Å; V451-M455 HydrophobicContact CG1-SD 4.25Å; V451-M455 WeakPolarHBondContact O-CB 3.18Å; V451-M455 VanDerWaalsContact O-CG 3.31Å; V451-M455 WeakPolarHBondContact O-CG 3.25Å; V451-M455 PolarHBondContact O-N 3.14Å; V453-M455 PolarHBondContact O-N 3.5Å; M455-V457 VanDerWaalsContact C-N 3.34Å; M455-V457 PolarHBondContact O-N 2.98Å; M455-A458 PolarHBondContact O-N 2.92Å; M455-F459 HydrophobicContact CB-CD2 4.26Å; M455-F459 HydrophobicContact CB-CE2 4.46Å; M455-F459 WeakPolarHBondContact O-CB 3.38Å; M455-F459 WeakPolarHBondContact O-CD2 3.48Å; M455-F459 PolarHBondContact O-N 3.19Å
456	F	93.4	Very high	90.2	Very high	86 Å²	86	64 Å²	64	38%	0.377	36%	0.364	S	S	.	.	H	α-helix	trans	-54.8	-50.4	178	177.9	-103.1	0	0	0	111.5	A13 A17 G452 V453 M460	A13-F456 HydrophobicContact CB-CD2 4.32Å; A13-F456 WeakPolarHBondContact O-CD2 3.42Å; A17-F456 HydrophobicContact CB-CD2 3.79Å; A17-F456 HydrophobicContact CB-CE2 4.11Å; G452-F456 WeakPolarHBondContact O-CB 3.44Å; G452-F456 PolarHBondContact O-N 3.18Å; V453-F456 PolarHBondContact O-N 3.43Å; F456-M460 HydrophobicContact CD2-CG 4.22Å; F456-M460 HydrophobicContact CE1-CG 4.24Å; F456-M460 HydrophobicContact CE2-CG 3.92Å; F456-M460 HydrophobicContact CE2-SD 4.49Å; F456-M460 HydrophobicContact CZ-CG 3.93Å; F456-M460 VanDerWaalsContact O-CB 3.25Å; F456-M460 WeakPolarHBondContact O-CB 3.46Å; F456-M460 WeakPolarHBondContact O-CG 3.38Å; F456-M460 PolarHBondContact O-N 3.27Å
457	V	93.5	Very high	89.9	Confident	70 Å²	70	65.8 Å²	65.8	42%	0.424	37%	0.365	S	S	.	.	H	α-helix	trans	-64.6	-46.6	-179.5	174.4	0	0	0	0	111.3	V453 V454 M455 F459 M460 I461	V453-V457 HydrophobicContact CG1-CG2 4.41Å; V453-V457 VanDerWaalsContact O-CG2 3.32Å; V453-V457 WeakPolarHBondContact O-CG2 3.44Å; V453-V457 PolarHBondContact O-N 2.91Å; V454-V457 PolarHBondContact O-N 3.06Å; M455-V457 VanDerWaalsContact C-N 3.34Å; M455-V457 PolarHBondContact O-N 2.98Å; V457-F459 PolarHBondContact O-N 3.45Å; V457-M460 PolarHBondContact O-N 3.49Å; V457-I461 HydrophobicContact CG1-CD1 3.58Å; V457-I461 HydrophobicContact CG1-CG1 4.28Å; V457-I461 WeakPolarHBondContact O-CB 3.49Å; V457-I461 VanDerWaalsContact O-CG1 3.25Å; V457-I461 WeakPolarHBondContact O-CG1 3.37Å; V457-I461 PolarHBondContact O-N 3.46Å
458	A	93.1	Very high	89.1	Confident	47 Å²	47	65 Å²	65	39%	0.388	37%	0.368	S	S	.	.	H	α-helix	trans	-62.8	-44.9	-178.2	0	0	0	0	0	112.6	V454 M455 S462	V454-A458 VanDerWaalsContact O-CB 3.25Å; V454-A458 WeakPolarHBondContact O-CB 3.27Å; V454-A458 PolarHBondContact O-N 2.78Å; M455-A458 PolarHBondContact O-N 2.92Å; A458-S462 VanDerWaalsContact O-CB 3.31Å; A458-S462 WeakPolarHBondContact O-CB 3.17Å; A458-S462 PolarHBondContact O-N 3.26Å; A458-S462 PolarHBondContact O-OG 3.47Å
459	F	92.3	Very high	88	Confident	69 Å²	69	71.4 Å²	71.4	30%	0.303	39%	0.394	S	S	.	.	H	α-helix	trans	-69.9	-36.9	178.4	-80	-72.5	0	0	0	112.1	L9 A13 M455 V457 S462 Y463	L9-F459 HydrophobicContact CD2-CD1 3.77Å; L9-F459 HydrophobicContact CD2-CE1 4.26Å; A13-F459 HydrophobicContact CB-CB 3.96Å; M455-F459 HydrophobicContact CB-CD2 4.26Å; M455-F459 HydrophobicContact CB-CE2 4.46Å; M455-F459 WeakPolarHBondContact O-CB 3.38Å; M455-F459 WeakPolarHBondContact O-CD2 3.48Å; M455-F459 PolarHBondContact O-N 3.19Å; V457-F459 PolarHBondContact O-N 3.45Å; F459-S462 PolarHBondContact O-N 3.42Å; F459-Y463 WeakPolarHBondContact O-CB 3.29Å; F459-Y463 PolarHBondContact O-N 3.01Å
460	M	90.1	Very high	86.4	Confident	73 Å²	73	73.7 Å²	73.7	36%	0.36	41%	0.411	S	S	.	.	H	α-helix	trans	-67.2	-43.9	175.3	-75.4	-60.1	-66	0	0	112.7	A13 F456 V457 S462 Y463 C464	A13-M460 HydrophobicContact CB-CG 3.99Å; A13-M460 HydrophobicContact CB-SD 3.88Å; F456-M460 HydrophobicContact CD2-CG 4.22Å; F456-M460 HydrophobicContact CE1-CG 4.24Å; F456-M460 HydrophobicContact CE2-CG 3.92Å; F456-M460 HydrophobicContact CE2-SD 4.49Å; F456-M460 HydrophobicContact CZ-CG 3.93Å; F456-M460 VanDerWaalsContact O-CB 3.25Å; F456-M460 WeakPolarHBondContact O-CB 3.46Å; F456-M460 WeakPolarHBondContact O-CG 3.38Å; F456-M460 PolarHBondContact O-N 3.27Å; V457-M460 PolarHBondContact O-N 3.49Å; M460-S462 VanDerWaalsContact C-N 3.32Å; M460-S462 PolarHBondContact O-N 3.18Å; M460-Y463 PolarHBondContact O-N 2.97Å; M460-C464 WeakPolarHBondContact O-CB 3.42Å; M460-C464 PolarHBondContact O-N 2.97Å; M460-C464 PolarHBondContact O-SG 3.31Å; M460-C464 VanDerWaalsContact O-SG 3.33Å
461	I	90.9	Very high	84.7	Confident	108 Å²	108	77.6 Å²	77.6	55%	0.554	43%	0.425	S	S	*	.	H	α-helix	trans	-60.2	-45.8	174	-69.1	169.2	0	0	0	110	V457 Y463 C464 A465	V457-I461 HydrophobicContact CG1-CD1 3.58Å; V457-I461 HydrophobicContact CG1-CG1 4.28Å; V457-I461 WeakPolarHBondContact O-CB 3.49Å; V457-I461 VanDerWaalsContact O-CG1 3.25Å; V457-I461 WeakPolarHBondContact O-CG1 3.37Å; V457-I461 PolarHBondContact O-N 3.46Å; I461-Y463 VanDerWaalsContact C-N 3.33Å; I461-Y463 PolarHBondContact O-N 2.88Å; I461-C464 PolarHBondContact O-N 3.24Å; I461-A465 WeakPolarHBondContact O-CB 3.49Å; I461-A465 PolarHBondContact O-N 3.34Å
462	S	88.1	Confident	82.4	Confident	53 Å²	53	85.7 Å²	85.7	37%	0.371	46%	0.455	S	S	.	.	H	α-helix	trans	-62.8	-39.5	179.3	-61.6	0	0	0	0	112.3	A458 F459 M460 C466	A458-S462 VanDerWaalsContact O-CB 3.31Å; A458-S462 WeakPolarHBondContact O-CB 3.17Å; A458-S462 PolarHBondContact O-N 3.26Å; A458-S462 PolarHBondContact O-OG 3.47Å; F459-S462 PolarHBondContact O-N 3.42Å; M460-S462 VanDerWaalsContact C-N 3.32Å; M460-S462 PolarHBondContact O-N 3.18Å; S462-C466 VanDerWaalsContact O-CB 3.31Å; S462-C466 WeakPolarHBondContact O-CB 3.44Å; S462-C466 PolarHBondContact O-N 3.38Å; S462-C466 PolarHBondContact O-SG 3.37Å
463	Y	87.8	Confident	81.9	Confident	48 Å²	48	90 Å²	90	19%	0.188	48%	0.477	C	S	.	.	H	α-helix	trans	-62.4	-49.8	173.9	177.9	-99.1	0	0	0	111.6	N6 L9 I10 F459 M460 I461 A465 C466 R467	N6-Y463 HydrophobicContact CB-CE2 4.32Å; L9-Y463 HydrophobicContact CB-CD2 4.35Å; I10-Y463 HydrophobicContact CD1-CD2 4.39Å; I10-Y463 HydrophobicContact CD1-CE2 3.71Å; I10-Y463 HydrophobicContact CG1-CD2 3.92Å; I10-Y463 HydrophobicContact CG1-CE2 3.74Å; F459-Y463 WeakPolarHBondContact O-CB 3.29Å; F459-Y463 PolarHBondContact O-N 3.01Å; M460-Y463 PolarHBondContact O-N 2.97Å; I461-Y463 VanDerWaalsContact C-N 3.33Å; I461-Y463 PolarHBondContact O-N 2.88Å; Y463-A465 PolarHBondContact O-N 2.99Å; Y463-C466 PolarHBondContact O-N 2.89Å; Y463-R467 WeakPolarHBondContact O-CB 3.27Å; Y463-R467 PolarHBondContact O-N 2.73Å
464	C	86.1	Confident	81.3	Confident	74 Å²	74	90.9 Å²	90.9	50%	0.5	48%	0.48	S	S	.	.	H	α-helix	trans	-61.4	-43.5	178.1	-70.8	0	0	0	0	112.3	M460 I461 R467 S468	M460-C464 WeakPolarHBondContact O-CB 3.42Å; M460-C464 PolarHBondContact O-N 2.97Å; M460-C464 PolarHBondContact O-SG 3.31Å; M460-C464 VanDerWaalsContact O-SG 3.33Å; I461-C464 PolarHBondContact O-N 3.24Å; C464-R467 PolarHBondContact O-N 3.03Å; C464-S468 WeakPolarHBondContact O-CB 3.38Å; C464-S468 PolarHBondContact O-N 2.81Å
465	A	84.9	Confident	80.5	Confident	51 Å²	51	90.6 Å²	90.6	42%	0.421	47%	0.474	S	S	.	.	H	α-helix	trans	-65.2	-40.7	177.6	0	0	0	0	0	112.3	I461 Y463 K469	I461-A465 WeakPolarHBondContact O-CB 3.49Å; I461-A465 PolarHBondContact O-N 3.34Å; Y463-A465 PolarHBondContact O-N 2.99Å; A465-K469 PolarHBondContact O-N 3.21Å
466	C	81.3	Confident	79.8	Confident	25 Å²	25	92.9 Å²	92.9	17%	0.169	49%	0.487	C	S	.	.	H	α-helix	trans	-64.8	-41.4	175.8	-76.8	0	0	0	0	112.2	R5 L9 S462 Y463 K469 T470	R5-C466 PolarHBondContact NH2-SG 3.23Å; R5-C466 VanDerWaalsContact NH2-SG 3.44Å; L9-C466 HydrophobicContact CD1-CB 4.34Å; S462-C466 VanDerWaalsContact O-CB 3.31Å; S462-C466 WeakPolarHBondContact O-CB 3.44Å; S462-C466 PolarHBondContact O-N 3.38Å; S462-C466 PolarHBondContact O-SG 3.37Å; Y463-C466 PolarHBondContact O-N 2.89Å; C466-K469 PolarHBondContact O-N 3.21Å; C466-T470 PolarHBondContact O-N 2.99Å; C466-T470 PolarHBondContact O-OG1 3.1Å
467	R	78.7	Confident	78.9	Confident	142 Å²	142	93.4 Å²	93.4	54%	0.536	49%	0.494	S	S	.	.	H	α-helix	trans	-69.3	-39.6	179.4	-157.1	179.9	-176.9	-171.3	1.1	112.1	Y463 C464 K469 T470	Y463-R467 WeakPolarHBondContact O-CB 3.27Å; Y463-R467 PolarHBondContact O-N 2.73Å; C464-R467 PolarHBondContact O-N 3.03Å; R467-K469 VanDerWaalsContact C-N 3.31Å; R467-K469 PolarHBondContact O-N 2.86Å; R467-T470 PolarHBondContact O-N 3.1Å; R467-T470 VanDerWaalsContact O-N 3.12Å; R467-T470 PolarHBondContact O-OG1 3.41Å
468	S	71.9	Confident	78	Confident	77 Å²	77	94.9 Å²	94.9	54%	0.538	50%	0.499	S	S	.	.	H	α-helix	trans	-59.3	-39.7	174.1	173.1	0	0	0	0	112.5	C464 T470 I471	C464-S468 WeakPolarHBondContact O-CB 3.38Å; C464-S468 PolarHBondContact O-N 2.81Å; S468-T470 VanDerWaalsContact C-N 3.26Å; S468-T470 PolarHBondContact O-N 2.95Å; S468-I471 PolarHBondContact O-N 3.4Å
469	K	65.9	Low	76.9	Confident	174 Å²	174	98.4 Å²	98.4	76%	0.757	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-13.7	176.2	-75.5	-174.2	178.7	-177.1	0	114.9	A465 C466 R467	A465-K469 PolarHBondContact O-N 3.21Å; C466-K469 PolarHBondContact O-N 3.21Å; R467-K469 VanDerWaalsContact C-N 3.31Å; R467-K469 PolarHBondContact O-N 2.86Å
470	T	58.2	Low	75.7	Confident	103 Å²	103	100.6 Å²	100.6	63%	0.632	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-8	179.3	-3.8	0	0	0	0	113.3	C466 R467 S468	C466-T470 PolarHBondContact O-N 2.99Å; C466-T470 PolarHBondContact O-OG1 3.1Å; R467-T470 PolarHBondContact O-N 3.1Å; R467-T470 VanDerWaalsContact O-N 3.12Å; R467-T470 PolarHBondContact O-OG1 3.41Å; S468-T470 VanDerWaalsContact C-N 3.26Å; S468-T470 PolarHBondContact O-N 2.95Å
471	I	55.6	Low	74.5	Confident	140 Å²	140	102.9 Å²	102.9	72%	0.718	54%	0.536	S	S	*	.			trans	-100.4	-8.7	-178.6	-62.6	168.4	0	0	0	111.4	S468	S468-I471 PolarHBondContact O-N 3.4Å
472	K	44.6	Very low	73	Confident	240 Å²	240	102.5 Å²	102.5	100%	1.043	53%	0.534	S	S	*	.			trans	-94	0	162.4	-74.3	-174.9	176.7	-175.7	0	109

Retrieved 472 of 472 residues in 324.7 ms (Link to these results)

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