A0A077ZIS3_TRITR Loading...

General secretion pathway protein E

AlphaFold DB , UniProt , Accession A0A077ZIS3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 451 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.5	Very low	73.4	Confident	217 Å²	217	97.8 Å²	97.8	100%	1.069	50%	0.501	S	S	*	.				0	-46.8	0	-69.5	-164.9	-164.4	0	0	113.8	Y3 Q4	M1-Y3 PolarHBondContact O-N 2.92Å; M1-Q4 PolarHBondContact O-N 2.95Å; M1-Q4 VanDerWaalsContact O-N 3.1Å
2	R	53.1	Low	73.8	Confident	208 Å²	208	102.9 Å²	102.9	79%	0.785	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.6	-35.6	-179	-173.3	174.9	175.2	172.3	-2.2	114.7
3	Y	64.4	Low	74.4	Confident	72 Å²	72	107 Å²	107	28%	0.282	54%	0.537	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112	14.9	-176.2	-54.4	-62	0	0	0	114.8	M1 G5 E26 L27 A30	M1-Y3 PolarHBondContact O-N 2.92Å; Y3-G5 PolarHBondContact O-N 2.81Å; Y3-E26 HydrophobicContact CD1-CB 4.28Å; Y3-E26 HydrophobicContact CE1-CB 3.82Å; Y3-L27 HydrophobicContact CD1-CB 4.5Å; Y3-L27 HydrophobicContact CD2-CD1 4.04Å; Y3-L27 HydrophobicContact CG-CB 4.24Å; Y3-L27 HydrophobicContact CG-CD1 4.06Å; Y3-A30 HydrophobicContact CE2-CB 4Å
4	Q	71.4	Confident	75.1	Confident	138 Å²	138	101.6 Å²	101.6	65%	0.645	51%	0.512	S	S	*	.	S	Bend	trans	51.8	22.6	-178	-60.6	-175.7	-14.3	0	0	115.7	M1	M1-Q4 PolarHBondContact O-N 2.95Å; M1-Q4 VanDerWaalsContact O-N 3.1Å
5	G	78.7	Confident	75.7	Confident	24 Å²	24	95.9 Å²	95.9	25%	0.247	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	149	174.7	0	0	0	0	0	113.3	Y3 A18	Y3-G5 PolarHBondContact O-N 2.81Å; G5-A18 CarbonylContact C-O 3.51Å; G5-A18 WeakPolarHBondContact CA-O 3.4Å
6	V	84.4	Confident	76.5	Confident	41 Å²	41	93.2 Å²	93.2	25%	0.248	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	129.4	174.8	175.6	0	0	0	0	108.8	L8 V17 A18 M49	V6-L8 PolarHBondContact O-N 3.1Å; V6-V17 CarbonylContact O-C 3.57Å; V6-V17 WeakPolarHBondContact O-CA 3.3Å; V6-A18 PolarHBondContact N-O 2.92Å; V6-A18 PolarHBondContact O-N 2.83Å; V6-M49 HydrophobicContact CB-SD 4.17Å; V6-M49 HydrophobicContact CG2-CE 4.15Å; V6-M49 HydrophobicContact CG2-SD 3.37Å; V6-M49 WeakPolarHBondContact CG2-SD 3.49Å
7	L	84.2	Confident	77.3	Confident	107 Å²	107	88.2 Å²	88.2	56%	0.56	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	120.1	172.7	-178.1	68.4	0	0	0	108.9	A10 V15 V17	L7-A10 HydrophobicContact CD1-CB 4.39Å; L7-A10 HydrophobicContact CD2-CB 4.46Å; L7-V15 HydrophobicContact CD1-CG1 3.6Å; L7-V17 HydrophobicContact CD1-CG2 4.19Å
8	L	84.1	Confident	77.9	Confident	58 Å²	58	83.3 Å²	83.3	30%	0.304	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-48.8	177.6	-59.4	-174.9	0	0	0	111.3	V6 H16 A18 W44	V6-L8 PolarHBondContact O-N 3.1Å; L8-H16 HydrophobicContact CB-CB 4.45Å; L8-H16 PolarHBondContact N-O 2.79Å; L8-A18 HydrophobicContact CD1-CB 3.95Å; L8-A18 HydrophobicContact CD2-CB 3.78Å; L8-A18 HydrophobicContact CG-CB 3.88Å; L8-W44 HydrophobicContact CD1-CH2 4.46Å; L8-W44 HydrophobicContact CD1-CZ2 3.85Å; L8-W44 HydrophobicContact CD2-CH2 3.2Å; L8-W44 HydrophobicContact CD2-CZ2 3.46Å; L8-W44 VanDerWaalsContact CD2-CZ2 3.46Å; L8-W44 HydrophobicContact CD2-CZ3 4.01Å; L8-W44 HydrophobicContact CG-CH2 4.42Å; L8-W44 HydrophobicContact CG-CZ2 4.29Å
9	D	81.2	Confident	78.4	Confident	106 Å²	106	79.2 Å²	79.2	57%	0.567	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-155.6	156.6	-179.3	-169.7	22.4	0	0	0	110.6	H16	D9-H16 HydrophobicContact CB-CB 4.4Å; D9-H16 PolarHBondContact N-O 2.95Å; D9-H16 PolarHBondContact O-N 2.64Å
10	A	79.3	Confident	78.8	Confident	50 Å²	50	76.3 Å²	76.3	41%	0.413	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	110.2	173.6	0	0	0	0	0	110.4	L7 V14 V15	L7-A10 HydrophobicContact CD1-CB 4.39Å; L7-A10 HydrophobicContact CD2-CB 4.46Å; A10-V14 CarbonylContact C-O 3.46Å; A10-V14 WeakPolarHBondContact CA-O 3.3Å; A10-V15 HydrophobicContact CB-CG2 4.39Å
11	S	82.9	Confident	78.8	Confident	55 Å²	55	77.6 Å²	77.6	39%	0.385	39%	0.394	S	S	.	.			trans	-93.4	-176.3	172.8	74.1	0	0	0	0	111.4	E13 V14 K37	S11-E13 VanDerWaalsContact C-N 3.27Å; S11-E13 PolarHBondContact O-N 3.43Å; S11-E13 PolarHBondContact OG-N 3.27Å; S11-V14 PolarHBondContact N-O 2.85Å; S11-V14 PolarHBondContact OG-N 2.64Å; S11-V14 PolarHBondContact OG-O 2.64Å; S11-K37 PolarHBondContact O-NZ 2.87Å
12	E	78.6	Confident	80.7	Confident	159 Å²	159	70.6 Å²	70.6	74%	0.743	37%	0.371	S	S	*	.	S	Bend	trans	-64	-32.5	175.2	-71.9	-173.8	177.2	0	0	112.4	K37	E12-K37 WeakPolarHBondContact O-CD 3.41Å; E12-K37 WeakPolarHBondContact O-CE 3.36Å
13	E	81.9	Confident	82.3	Confident	156 Å²	156	62.8 Å²	62.8	73%	0.729	35%	0.347	S	S	*	.	S	Bend	trans	-106.3	-23.7	-175.8	-62.1	-164.8	168.2	0	0	114.2	S11 K37 R38	S11-E13 VanDerWaalsContact C-N 3.27Å; S11-E13 PolarHBondContact O-N 3.43Å; S11-E13 PolarHBondContact OG-N 3.27Å; E13-K37 WeakPolarHBondContact O-CB 3.45Å; E13-R38 WeakPolarHBondContact O-CB 3.16Å; E13-R38 PolarHBondContact O-N 3.24Å
14	V	83.2	Confident	83.2	Confident	32 Å²	32	61.7 Å²	61.7	19%	0.194	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	138.6	-168.7	-172.9	0	0	0	0	111.8	A10 S11 R38 E40	A10-V14 CarbonylContact C-O 3.46Å; A10-V14 WeakPolarHBondContact CA-O 3.3Å; S11-V14 PolarHBondContact N-O 2.85Å; S11-V14 PolarHBondContact OG-N 2.64Å; S11-V14 PolarHBondContact OG-O 2.64Å; V14-R38 CarbonylContact C-O 3.52Å; V14-R38 VanDerWaalsContact CA-O 3.26Å; V14-R38 WeakPolarHBondContact CA-O 3.12Å; V14-R38 HydrophobicContact CG2-CB 4.3Å; V14-E40 HydrophobicContact CG1-CB 4.23Å; V14-E40 HydrophobicContact CG1-CG 3.75Å
15	V	85.2	Confident	83.7	Confident	16 Å²	16	61.7 Å²	61.7	10%	0.097	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	120.2	170	178.5	0	0	0	0	108.5	L7 A10 V17 T35 K37 R38 I39 E40	L7-V15 HydrophobicContact CD1-CG1 3.6Å; A10-V15 HydrophobicContact CB-CG2 4.39Å; V15-V17 HydrophobicContact CG1-CG2 4Å; V15-T35 HydrophobicContact CG2-CG2 4.2Å; V15-K37 HydrophobicContact CG2-CB 4.01Å; V15-K37 HydrophobicContact CG2-CD 3.76Å; V15-R38 PolarHBondContact N-O 3.38Å; V15-I39 WeakPolarHBondContact O-CA 3.29Å; V15-E40 PolarHBondContact O-N 2.94Å
16	H	88.4	Confident	83.7	Confident	52 Å²	52	66.2 Å²	66.2	24%	0.241	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	116	-177.2	-167.2	-175.1	0	0	0	110.9	L8 D9 E40 T42	L8-H16 HydrophobicContact CB-CB 4.45Å; L8-H16 PolarHBondContact N-O 2.79Å; D9-H16 HydrophobicContact CB-CB 4.4Å; D9-H16 PolarHBondContact N-O 2.95Å; D9-H16 PolarHBondContact O-N 2.64Å; H16-E40 CarbonylContact C-O 3.58Å; H16-E40 WeakPolarHBondContact CA-O 3.46Å; H16-E40 PolarHBondContact CD2-O 3.17Å; H16-T42 PolarHBondContact NE2-OG1 2.94Å
17	V	89.5	Confident	83.7	Confident	9 Å²	9	64.8 Å²	64.8	6%	0.055	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	134.2	-176.9	-175	0	0	0	0	110.3	V6 L7 V15 V19 L31 E40 I41 T42	V6-V17 CarbonylContact O-C 3.57Å; V6-V17 WeakPolarHBondContact O-CA 3.3Å; L7-V17 HydrophobicContact CD1-CG2 4.19Å; V15-V17 HydrophobicContact CG1-CG2 4Å; V17-V19 HydrophobicContact CG1-CG1 4.29Å; V17-L31 HydrophobicContact CG2-CD1 4.29Å; V17-L31 HydrophobicContact CG2-CD2 4.11Å; V17-E40 PolarHBondContact N-O 3.42Å; V17-I41 CarbonylContact O-C 3.57Å; V17-I41 VanDerWaalsContact O-CA 3.29Å; V17-I41 WeakPolarHBondContact O-CA 3.31Å; V17-T42 PolarHBondContact O-N 3.26Å
18	A	87.7	Confident	83.7	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	137.8	166.8	0	0	0	0	0	111.1	G5 V6 L8 T42 W44 M49	G5-A18 CarbonylContact C-O 3.51Å; G5-A18 WeakPolarHBondContact CA-O 3.4Å; V6-A18 PolarHBondContact N-O 2.92Å; V6-A18 PolarHBondContact O-N 2.83Å; L8-A18 HydrophobicContact CD1-CB 3.95Å; L8-A18 HydrophobicContact CD2-CB 3.78Å; L8-A18 HydrophobicContact CG-CB 3.88Å; A18-T42 CarbonylContact C-O 3.58Å; A18-T42 VanDerWaalsContact CA-O 3.24Å; A18-T42 WeakPolarHBondContact CA-O 3.41Å; A18-W44 HydrophobicContact CB-CD2 3.52Å; A18-W44 HydrophobicContact CB-CE3 3.58Å; A18-W44 HydrophobicContact CB-CG 4.09Å; A18-W44 HydrophobicContact CB-CH2 4.07Å; A18-W44 HydrophobicContact CB-CZ2 3.99Å; A18-W44 HydrophobicContact CB-CZ3 3.85Å; A18-M49 HydrophobicContact CB-CE 4.36Å
19	V	89.1	Confident	83.4	Confident	4 Å²	4	63.6 Å²	63.6	2%	0.024	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	154.6	173.7	-63.3	0	0	0	0	110.1	V17 P23 L27 I41 T42 C43 W44	V17-V19 HydrophobicContact CG1-CG1 4.29Å; V19-P23 HydrophobicContact CG2-CB 4.22Å; V19-L27 HydrophobicContact CG1-CD2 3.27Å; V19-I41 HydrophobicContact CG1-CG2 4.27Å; V19-I41 HydrophobicContact CG2-CG2 3.61Å; V19-T42 PolarHBondContact N-O 3.47Å; V19-C43 CarbonylContact O-C 3.53Å; V19-C43 WeakPolarHBondContact O-CA 3.34Å; V19-W44 PolarHBondContact O-N 3.35Å
20	V	85.3	Confident	83.3	Confident	21 Å²	21	60 Å²	60	13%	0.127	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	127.5	172.8	-179.1	0	0	0	0	109.6	A22 W44 R46 M49	V20-A22 VanDerWaalsContact C-N 3.33Å; V20-A22 PolarHBondContact O-N 2.97Å; V20-W44 WeakPolarHBondContact CA-O 3.37Å; V20-R46 HydrophobicContact CG1-CG 3.54Å; V20-M49 HydrophobicContact CG2-CB 3.96Å; V20-M49 HydrophobicContact CG2-CE 3.82Å; V20-M49 HydrophobicContact CG2-CG 3.91Å
21	D	79.5	Confident	83.6	Confident	105 Å²	105	58.8 Å²	58.8	56%	0.561	32%	0.321	S	S	*	.	S	Bend	trans	61.2	-72	176	-56.3	-40.2	0	0	0	115.8	C43 W44	D21-C43 WeakPolarHBondContact O-CB 3.41Å; D21-C43 PolarHBondContact O-SG 3.44Å; D21-W44 PolarHBondContact N-O 3.32Å
22	A	83.4	Confident	83.5	Confident	70 Å²	70	62.1 Å²	62.1	58%	0.579	33%	0.33	S	S	*	.	S	Bend	trans	-147.5	144.5	179.9	0	0	0	0	0	111.2	V20	V20-A22 VanDerWaalsContact C-N 3.33Å; V20-A22 PolarHBondContact O-N 2.97Å
23	P	85.5	Confident	83.5	Confident	43 Å²	43	63.8 Å²	63.8	28%	0.279	34%	0.335	S	S	.	.			trans	-68.2	136.5	177.6	28.1	-33.3	0	0	0	110.8	V19 L27 L28 I41	V19-P23 HydrophobicContact CG2-CB 4.22Å; P23-L27 HydrophobicContact CB-CD2 4.3Å; P23-L28 HydrophobicContact CB-CD2 4.25Å; P23-L28 HydrophobicContact CB-CG 4.27Å; P23-L28 HydrophobicContact CG-CD2 4.42Å; P23-I41 HydrophobicContact CB-CD1 3.97Å; P23-I41 HydrophobicContact CB-CG2 4.33Å; P23-I41 HydrophobicContact CG-CD1 4.18Å; P23-I41 HydrophobicContact CG-CG2 4.32Å
24	S	83.3	Confident	83.3	Confident	50 Å²	50	60.1 Å²	60.1	35%	0.35	33%	0.332	S	S	.	.			trans	-72.5	154.2	171	66.4	0	0	0	0	111	E26 L27 L28	S24-E26 VanDerWaalsContact C-N 3.25Å; S24-E26 PolarHBondContact O-N 3.38Å; S24-L27 WeakPolarHBondContact O-CB 3.5Å; S24-L27 PolarHBondContact O-N 3Å; S24-L27 VanDerWaalsContact O-N 3.14Å; S24-L27 WeakPolarHBondContact OG-CB 3.37Å; S24-L27 PolarHBondContact OG-N 3.35Å; S24-L28 PolarHBondContact O-N 3Å; S24-L28 VanDerWaalsContact O-N 3.12Å
25	H	82.3	Confident	83.2	Confident	137 Å²	137	60 Å²	60	63%	0.634	33%	0.331	S	S	*	.	H	α-helix	trans	-58.5	-40.6	174.6	-162.3	-73.6	0	0	0	111.4	L27 L28 D29	H25-L27 VanDerWaalsContact C-N 3.3Å; H25-L27 PolarHBondContact O-N 3.16Å; H25-L28 PolarHBondContact O-N 3.22Å; H25-L28 VanDerWaalsContact O-N 3.16Å; H25-D29 IonicContact CE1-OD1 3.44Å; H25-D29 PolarHBondContact CE1-OD1 3.11Å; H25-D29 IonicContact CE1-OD2 2.89Å; H25-D29 PolarHBondContact CE1-OD2 2.84Å; H25-D29 VanDerWaalsContact CE1-OD2 3.25Å; H25-D29 IonicContact ND1-OD1 2.71Å; H25-D29 IonicContact ND1-OD2 3.38Å; H25-D29 PolarHBondContact ND1-OD2 3.32Å; H25-D29 PolarHBondContact O-N 3Å
26	E	79.7	Confident	83.1	Confident	120 Å²	120	66.5 Å²	66.5	56%	0.561	37%	0.371	S	S	*	.	H	α-helix	trans	-60.7	-36.8	176.5	-62.9	-176.2	174.6	0	0	113	Y3 S24 A30	Y3-E26 HydrophobicContact CD1-CB 4.28Å; Y3-E26 HydrophobicContact CE1-CB 3.82Å; S24-E26 VanDerWaalsContact C-N 3.25Å; S24-E26 PolarHBondContact O-N 3.38Å; E26-A30 VanDerWaalsContact O-CB 3.24Å; E26-A30 WeakPolarHBondContact O-CB 3.26Å; E26-A30 PolarHBondContact O-N 3.3Å
27	L	83.4	Confident	83	Confident	11 Å²	11	67.2 Å²	67.2	6%	0.058	37%	0.373	C	S	.	.	H	α-helix	trans	-67.6	-43.8	175.6	176	62	0	0	0	110.9	Y3 V19 P23 S24 H25 D29 A30 L31	Y3-L27 HydrophobicContact CD1-CB 4.5Å; Y3-L27 HydrophobicContact CD2-CD1 4.04Å; Y3-L27 HydrophobicContact CG-CB 4.24Å; Y3-L27 HydrophobicContact CG-CD1 4.06Å; V19-L27 HydrophobicContact CG1-CD2 3.27Å; P23-L27 HydrophobicContact CB-CD2 4.3Å; S24-L27 WeakPolarHBondContact O-CB 3.5Å; S24-L27 PolarHBondContact O-N 3Å; S24-L27 VanDerWaalsContact O-N 3.14Å; S24-L27 WeakPolarHBondContact OG-CB 3.37Å; S24-L27 PolarHBondContact OG-N 3.35Å; H25-L27 VanDerWaalsContact C-N 3.3Å; H25-L27 PolarHBondContact O-N 3.16Å; L27-D29 VanDerWaalsContact C-N 3.35Å; L27-A30 PolarHBondContact O-N 2.98Å; L27-L31 HydrophobicContact CD1-CD1 3.94Å; L27-L31 HydrophobicContact CD1-CG 3.94Å; L27-L31 HydrophobicContact CG-CD1 3.89Å; L27-L31 HydrophobicContact CG-CG 4.31Å; L27-L31 WeakPolarHBondContact O-CB 3.24Å; L27-L31 VanDerWaalsContact O-CG 3.29Å; L27-L31 WeakPolarHBondContact O-CG 3.4Å; L27-L31 PolarHBondContact O-N 2.93Å
28	L	83.8	Confident	82.9	Confident	54 Å²	54	75.2 Å²	75.2	28%	0.283	40%	0.403	S	S	.	.	H	α-helix	trans	-60.8	-46	177.7	-67.8	173.1	0	0	0	110.8	P23 S24 H25 A30 L31 H32 I41	P23-L28 HydrophobicContact CB-CD2 4.25Å; P23-L28 HydrophobicContact CB-CG 4.27Å; P23-L28 HydrophobicContact CG-CD2 4.42Å; S24-L28 PolarHBondContact O-N 3Å; S24-L28 VanDerWaalsContact O-N 3.12Å; H25-L28 PolarHBondContact O-N 3.22Å; H25-L28 VanDerWaalsContact O-N 3.16Å; L28-A30 VanDerWaalsContact C-N 3.35Å; L28-A30 PolarHBondContact O-N 3.25Å; L28-L31 PolarHBondContact O-N 3.41Å; L28-H32 PolarHBondContact O-N 3.02Å; L28-H32 PolarHBondContact O-ND1 3.26Å; L28-I41 HydrophobicContact CD2-CD1 3.42Å; L28-I41 VanDerWaalsContact CD2-CD1 3.42Å
29	D	78.6	Confident	83	Confident	85 Å²	85	77 Å²	77	46%	0.455	41%	0.412	S	S	.	.	H	α-helix	trans	-61.6	-43.8	176.6	-66.7	-28.2	0	0	0	111.4	H25 L27 L31 H32 F33	H25-D29 IonicContact CE1-OD1 3.44Å; H25-D29 PolarHBondContact CE1-OD1 3.11Å; H25-D29 IonicContact CE1-OD2 2.89Å; H25-D29 PolarHBondContact CE1-OD2 2.84Å; H25-D29 VanDerWaalsContact CE1-OD2 3.25Å; H25-D29 IonicContact ND1-OD1 2.71Å; H25-D29 IonicContact ND1-OD2 3.38Å; H25-D29 PolarHBondContact ND1-OD2 3.32Å; H25-D29 PolarHBondContact O-N 3Å; L27-D29 VanDerWaalsContact C-N 3.35Å; D29-L31 PolarHBondContact O-N 3.04Å; D29-H32 PolarHBondContact O-N 3.14Å; D29-F33 WeakPolarHBondContact O-CB 3.41Å; D29-F33 PolarHBondContact O-N 2.93Å
30	A	79.6	Confident	83	Confident	30 Å²	30	80.6 Å²	80.6	25%	0.248	43%	0.428	C	S	.	.	H	α-helix	trans	-63.9	-39.7	177.7	0	0	0	0	0	112.5	Y3 E26 L27 L28 F33 A34	Y3-A30 HydrophobicContact CE2-CB 4Å; E26-A30 VanDerWaalsContact O-CB 3.24Å; E26-A30 WeakPolarHBondContact O-CB 3.26Å; E26-A30 PolarHBondContact O-N 3.3Å; L27-A30 PolarHBondContact O-N 2.98Å; L28-A30 VanDerWaalsContact C-N 3.35Å; L28-A30 PolarHBondContact O-N 3.25Å; A30-F33 PolarHBondContact O-N 3.48Å; A30-A34 WeakPolarHBondContact O-CB 3.11Å; A30-A34 PolarHBondContact O-N 3.22Å
31	L	84.1	Confident	83.2	Confident	25 Å²	25	82 Å²	82	13%	0.131	43%	0.434	C	S	.	.	H	α-helix	trans	-68.4	-44.8	177.4	-71.6	171.5	0	0	0	111.2	V17 L27 L28 D29 F33 A34 T35 I39 I41	V17-L31 HydrophobicContact CG2-CD1 4.29Å; V17-L31 HydrophobicContact CG2-CD2 4.11Å; L27-L31 HydrophobicContact CD1-CD1 3.94Å; L27-L31 HydrophobicContact CD1-CG 3.94Å; L27-L31 HydrophobicContact CG-CD1 3.89Å; L27-L31 HydrophobicContact CG-CG 4.31Å; L27-L31 WeakPolarHBondContact O-CB 3.24Å; L27-L31 VanDerWaalsContact O-CG 3.29Å; L27-L31 WeakPolarHBondContact O-CG 3.4Å; L27-L31 PolarHBondContact O-N 2.93Å; L28-L31 PolarHBondContact O-N 3.41Å; D29-L31 PolarHBondContact O-N 3.04Å; L31-F33 VanDerWaalsContact C-N 3.28Å; L31-F33 PolarHBondContact O-N 3.13Å; L31-A34 PolarHBondContact O-N 3.03Å; L31-T35 WeakPolarHBondContact O-CG2 3.3Å; L31-T35 PolarHBondContact O-N 3.29Å; L31-I39 HydrophobicContact CB-CD1 3.66Å; L31-I39 HydrophobicContact CB-CG1 4.36Å; L31-I39 HydrophobicContact CD1-CG2 3.89Å; L31-I41 HydrophobicContact CD1-CD1 4.24Å
32	H	82.3	Confident	83.7	Confident	126 Å²	126	79.5 Å²	79.5	58%	0.583	42%	0.423	S	S	*	.	H	α-helix	trans	-64.6	-31.8	175.7	-70.2	113.3	0	0	0	112.8	L28 D29	L28-H32 PolarHBondContact O-N 3.02Å; L28-H32 PolarHBondContact O-ND1 3.26Å; D29-H32 PolarHBondContact O-N 3.14Å
33	F	76.7	Confident	83.9	Confident	193 Å²	193	79.5 Å²	79.5	85%	0.846	42%	0.418	S	S	*	.	H	α-helix	trans	-71.9	-39.8	172.9	-179	-95.7	0	0	0	112.3	D29 A30 L31	D29-F33 WeakPolarHBondContact O-CB 3.41Å; D29-F33 PolarHBondContact O-N 2.93Å; A30-F33 PolarHBondContact O-N 3.48Å; L31-F33 VanDerWaalsContact C-N 3.28Å; L31-F33 PolarHBondContact O-N 3.13Å
34	A	79.2	Confident	84	Confident	80 Å²	80	79.5 Å²	79.5	66%	0.661	41%	0.412	S	S	*	.	H	α-helix	trans	-76.8	-24.9	-174.2	0	0	0	0	0	113.7	A30 L31	A30-A34 WeakPolarHBondContact O-CB 3.11Å; A30-A34 PolarHBondContact O-N 3.22Å; L31-A34 PolarHBondContact O-N 3.03Å
35	T	80	Confident	83.9	Confident	30 Å²	30	80.4 Å²	80.4	18%	0.184	42%	0.416	C	S	.	.			trans	-151	144.8	-176	-175.5	0	0	0	0	112.8	V15 L31 K37 I39	V15-T35 HydrophobicContact CG2-CG2 4.2Å; L31-T35 WeakPolarHBondContact O-CG2 3.3Å; L31-T35 PolarHBondContact O-N 3.29Å; T35-K37 VanDerWaalsContact C-N 3.33Å; T35-K37 HydrophobicContact CG2-CB 4.47Å; T35-K37 VanDerWaalsContact OG1-CB 3.26Å; T35-K37 WeakPolarHBondContact OG1-CB 3.36Å; T35-K37 VanDerWaalsContact OG1-CG 3.26Å; T35-K37 WeakPolarHBondContact OG1-CG 3.45Å; T35-K37 PolarHBondContact OG1-N 3.02Å; T35-K37 VanDerWaalsContact OG1-N 3.08Å; T35-I39 HydrophobicContact CG2-CD1 4.42Å; T35-I39 HydrophobicContact CG2-CG1 4.23Å
36	T	83.5	Confident	83.7	Confident	152 Å²	152	82 Å²	82	93%	0.933	42%	0.417	S	S	*	.	S	Bend	trans	-91.5	3	169.7	59.6	0	0	0	0	112.7
37	K	86.8	Confident	83.4	Confident	66 Å²	66	83.9 Å²	83.9	29%	0.287	43%	0.425	S	S	.	.	S	Bend	trans	-72.6	161.4	178	-64.6	178.5	-177.9	-172.4	0	111.1	S11 E12 E13 V15 T35 I39	S11-K37 PolarHBondContact O-NZ 2.87Å; E12-K37 WeakPolarHBondContact O-CD 3.41Å; E12-K37 WeakPolarHBondContact O-CE 3.36Å; E13-K37 WeakPolarHBondContact O-CB 3.45Å; V15-K37 HydrophobicContact CG2-CB 4.01Å; V15-K37 HydrophobicContact CG2-CD 3.76Å; T35-K37 VanDerWaalsContact C-N 3.33Å; T35-K37 HydrophobicContact CG2-CB 4.47Å; T35-K37 VanDerWaalsContact OG1-CB 3.26Å; T35-K37 WeakPolarHBondContact OG1-CB 3.36Å; T35-K37 VanDerWaalsContact OG1-CG 3.26Å; T35-K37 WeakPolarHBondContact OG1-CG 3.45Å; T35-K37 PolarHBondContact OG1-N 3.02Å; T35-K37 VanDerWaalsContact OG1-N 3.08Å; K37-I39 PolarHBondContact O-N 3.18Å
38	R	86.1	Confident	83.2	Confident	178 Å²	178	88.2 Å²	88.2	67%	0.672	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	127.4	171.9	-175.2	177.9	178.5	170.7	-2.2	109.4	E13 V14 V15 E40	E13-R38 WeakPolarHBondContact O-CB 3.16Å; E13-R38 PolarHBondContact O-N 3.24Å; V14-R38 CarbonylContact C-O 3.52Å; V14-R38 VanDerWaalsContact CA-O 3.26Å; V14-R38 WeakPolarHBondContact CA-O 3.12Å; V14-R38 HydrophobicContact CG2-CB 4.3Å; V15-R38 PolarHBondContact N-O 3.38Å; R38-E40 IonicContact NE-OE1 3.3Å
39	I	90	Very high	83.1	Confident	37 Å²	37	86.9 Å²	86.9	19%	0.19	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	121.4	-179.2	-62.1	154.5	0	0	0	108.6	V15 L31 T35 K37 I41	V15-I39 WeakPolarHBondContact O-CA 3.29Å; L31-I39 HydrophobicContact CB-CD1 3.66Å; L31-I39 HydrophobicContact CB-CG1 4.36Å; L31-I39 HydrophobicContact CD1-CG2 3.89Å; T35-I39 HydrophobicContact CG2-CD1 4.42Å; T35-I39 HydrophobicContact CG2-CG1 4.23Å; K37-I39 PolarHBondContact O-N 3.18Å; I39-I41 HydrophobicContact CG2-CD1 4.12Å; I39-I41 HydrophobicContact CG2-CG1 3.81Å
40	E	89.3	Confident	83	Confident	79 Å²	79	89.2 Å²	89.2	37%	0.369	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	126.7	171.2	-69.4	-173.7	173.8	0	0	109	V14 V15 H16 V17 R38	V14-E40 HydrophobicContact CG1-CB 4.23Å; V14-E40 HydrophobicContact CG1-CG 3.75Å; V15-E40 PolarHBondContact O-N 2.94Å; H16-E40 CarbonylContact C-O 3.58Å; H16-E40 WeakPolarHBondContact CA-O 3.46Å; H16-E40 PolarHBondContact CD2-O 3.17Å; V17-E40 PolarHBondContact N-O 3.42Å; R38-E40 IonicContact NE-OE1 3.3Å
41	I	90.1	Very high	82.7	Confident	51 Å²	51	89.4 Å²	89.4	26%	0.262	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127	-178.7	-56.7	-178.9	0	0	0	108.9	V17 V19 P23 L28 L31 I39	V17-I41 CarbonylContact O-C 3.57Å; V17-I41 VanDerWaalsContact O-CA 3.29Å; V17-I41 WeakPolarHBondContact O-CA 3.31Å; V19-I41 HydrophobicContact CG1-CG2 4.27Å; V19-I41 HydrophobicContact CG2-CG2 3.61Å; P23-I41 HydrophobicContact CB-CD1 3.97Å; P23-I41 HydrophobicContact CB-CG2 4.33Å; P23-I41 HydrophobicContact CG-CD1 4.18Å; P23-I41 HydrophobicContact CG-CG2 4.32Å; L28-I41 HydrophobicContact CD2-CD1 3.42Å; L28-I41 VanDerWaalsContact CD2-CD1 3.42Å; L31-I41 HydrophobicContact CD1-CD1 4.24Å; I39-I41 HydrophobicContact CG2-CD1 4.12Å; I39-I41 HydrophobicContact CG2-CG1 3.81Å
42	T	90	Very high	82.2	Confident	53 Å²	53	91.1 Å²	91.1	33%	0.325	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	127.5	171.5	-59.9	0	0	0	0	110	H16 V17 A18 V19	H16-T42 PolarHBondContact NE2-OG1 2.94Å; V17-T42 PolarHBondContact O-N 3.26Å; A18-T42 CarbonylContact C-O 3.58Å; A18-T42 VanDerWaalsContact CA-O 3.24Å; A18-T42 WeakPolarHBondContact CA-O 3.41Å; V19-T42 PolarHBondContact N-O 3.47Å
43	C	88.2	Confident	81.4	Confident	70 Å²	70	87.7 Å²	87.7	47%	0.473	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	119.3	176.6	-61.3	0	0	0	0	109.7	V19 D21	V19-C43 CarbonylContact O-C 3.53Å; V19-C43 WeakPolarHBondContact O-CA 3.34Å; D21-C43 WeakPolarHBondContact O-CB 3.41Å; D21-C43 PolarHBondContact O-SG 3.44Å
44	W	87.2	Confident	80.5	Confident	42 Å²	42	81.5 Å²	81.5	16%	0.159	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	150.9	173.8	-77	-3	0	0	0	110.7	L8 A18 V19 V20 D21 Q48 M49 H52	L8-W44 HydrophobicContact CD1-CH2 4.46Å; L8-W44 HydrophobicContact CD1-CZ2 3.85Å; L8-W44 HydrophobicContact CD2-CH2 3.2Å; L8-W44 HydrophobicContact CD2-CZ2 3.46Å; L8-W44 VanDerWaalsContact CD2-CZ2 3.46Å; L8-W44 HydrophobicContact CD2-CZ3 4.01Å; L8-W44 HydrophobicContact CG-CH2 4.42Å; L8-W44 HydrophobicContact CG-CZ2 4.29Å; A18-W44 HydrophobicContact CB-CD2 3.52Å; A18-W44 HydrophobicContact CB-CE3 3.58Å; A18-W44 HydrophobicContact CB-CG 4.09Å; A18-W44 HydrophobicContact CB-CH2 4.07Å; A18-W44 HydrophobicContact CB-CZ2 3.99Å; A18-W44 HydrophobicContact CB-CZ3 3.85Å; V19-W44 PolarHBondContact O-N 3.35Å; V20-W44 WeakPolarHBondContact CA-O 3.37Å; D21-W44 PolarHBondContact N-O 3.32Å; W44-Q48 HydrophobicContact CB-CB 4Å; W44-Q48 HydrophobicContact CD2-CB 4.28Å; W44-Q48 HydrophobicContact CG-CB 4.07Å; W44-M49 HydrophobicContact CE3-CE 3.93Å; W44-M49 HydrophobicContact CE3-SD 3.97Å; W44-M49 HydrophobicContact CZ3-SD 4.25Å; W44-H52 HydrophobicContact CH2-CB 4.14Å; W44-H52 AromaticContact CH2-CD2 3.66Å; W44-H52 AromaticContact CH2-CG 3.98Å; W44-H52 HydrophobicContact CZ3-CB 3.68Å; W44-H52 AromaticContact CZ3-CD2 4Å; W44-H52 AromaticContact CZ3-CG 3.82Å
45	T	80.6	Confident	79.3	Confident	70 Å²	70	87.1 Å²	87.1	43%	0.429	44%	0.436	S	S	.	.	P	Polyproline II helix	trans	-69.8	157.3	162.4	61.1	0	0	0	0	110	Q47 Q48 M49	T45-Q47 PolarHBondContact O-N 3.04Å; T45-Q48 PolarHBondContact O-N 2.98Å; T45-Q48 VanDerWaalsContact O-N 3.1Å; T45-Q48 WeakPolarHBondContact OG1-CG 3.28Å; T45-Q48 PolarHBondContact OG1-N 3.47Å; T45-Q48 PolarHBondContact OG1-OE1 3Å; T45-M49 PolarHBondContact O-N 3.41Å; T45-M49 VanDerWaalsContact O-N 3.12Å
46	R	77.5	Confident	77.8	Confident	171 Å²	171	89.2 Å²	89.2	65%	0.645	45%	0.449	S	S	*	.	H	α-helix	trans	-52.8	-39.1	173	-72.2	-176.5	-175.1	-178.8	0.9	112.5	V20 Q48 M49 E50	V20-R46 HydrophobicContact CG1-CG 3.54Å; R46-Q48 PolarHBondContact O-N 3.38Å; R46-M49 WeakPolarHBondContact O-CB 3.5Å; R46-M49 PolarHBondContact O-N 2.98Å; R46-E50 WeakPolarHBondContact O-CG 3.38Å; R46-E50 PolarHBondContact O-N 2.81Å
47	Q	75.3	Confident	75.7	Confident	158 Å²	158	90 Å²	90	74%	0.738	44%	0.442	S	S	*	.	H	α-helix	trans	-64.5	-39.1	179.5	-167.6	178.6	6.1	0	0	112.7	T45 G51	T45-Q47 PolarHBondContact O-N 3.04Å; Q47-G51 PolarHBondContact O-N 3.07Å
48	Q	78.4	Confident	73.1	Confident	102 Å²	102	93.7 Å²	93.7	48%	0.477	46%	0.46	S	S	.	.	H	α-helix	trans	-66.6	-39.5	174.4	-73.7	166.1	-55.6	0	0	111.6	W44 T45 R46 G51 H52	W44-Q48 HydrophobicContact CB-CB 4Å; W44-Q48 HydrophobicContact CD2-CB 4.28Å; W44-Q48 HydrophobicContact CG-CB 4.07Å; T45-Q48 PolarHBondContact O-N 2.98Å; T45-Q48 VanDerWaalsContact O-N 3.1Å; T45-Q48 WeakPolarHBondContact OG1-CG 3.28Å; T45-Q48 PolarHBondContact OG1-N 3.47Å; T45-Q48 PolarHBondContact OG1-OE1 3Å; R46-Q48 PolarHBondContact O-N 3.38Å; Q48-G51 PolarHBondContact O-N 2.71Å; Q48-H52 PolarHBondContact O-N 3.31Å
49	M	80.7	Confident	70.4	Confident	26 Å²	26	91.1 Å²	91.1	13%	0.128	47%	0.465	C	S	.	.	H	α-helix	trans	-64.4	-45.3	178.1	-170.4	62.5	76.5	0	0	112.1	V6 A18 V20 W44 T45 R46 H52 A53	V6-M49 HydrophobicContact CB-SD 4.17Å; V6-M49 HydrophobicContact CG2-CE 4.15Å; V6-M49 HydrophobicContact CG2-SD 3.37Å; V6-M49 WeakPolarHBondContact CG2-SD 3.49Å; A18-M49 HydrophobicContact CB-CE 4.36Å; V20-M49 HydrophobicContact CG2-CB 3.96Å; V20-M49 HydrophobicContact CG2-CE 3.82Å; V20-M49 HydrophobicContact CG2-CG 3.91Å; W44-M49 HydrophobicContact CE3-CE 3.93Å; W44-M49 HydrophobicContact CE3-SD 3.97Å; W44-M49 HydrophobicContact CZ3-SD 4.25Å; T45-M49 PolarHBondContact O-N 3.41Å; T45-M49 VanDerWaalsContact O-N 3.12Å; R46-M49 WeakPolarHBondContact O-CB 3.5Å; R46-M49 PolarHBondContact O-N 2.98Å; M49-H52 PolarHBondContact O-N 3.45Å; M49-A53 PolarHBondContact O-N 2.73Å; M49-A53 VanDerWaalsContact O-N 3.08Å
50	E	76.9	Confident	67.6	Low	135 Å²	135	95.7 Å²	95.7	63%	0.631	49%	0.489	S	S	*	.	H	α-helix	trans	-64.5	-42.6	176	-72.1	171.6	179	0	0	111.8	R46 H52 A53 S54	R46-E50 WeakPolarHBondContact O-CG 3.38Å; R46-E50 PolarHBondContact O-N 2.81Å; E50-H52 VanDerWaalsContact C-N 3.29Å; E50-H52 PolarHBondContact O-N 3.38Å; E50-A53 PolarHBondContact O-N 3.41Å; E50-S54 PolarHBondContact O-N 3.48Å; E50-S54 VanDerWaalsContact O-N 3.08Å
51	G	73.1	Confident	65.1	Low	33 Å²	33	97.4 Å²	97.4	34%	0.34	51%	0.507	S	S	.	.	H	α-helix	trans	-60.3	-38.2	175.5	0	0	0	0	0	112.6	Q47 Q48 S54 R55	Q47-G51 PolarHBondContact O-N 3.07Å; Q48-G51 PolarHBondContact O-N 2.71Å; G51-S54 PolarHBondContact O-OG 3.45Å; G51-R55 PolarHBondContact O-N 2.8Å; G51-R55 VanDerWaalsContact O-N 3.14Å
52	H	73.4	Confident	62.6	Low	62 Å²	62	99.2 Å²	99.2	29%	0.287	52%	0.52	S	S	.	.	H	α-helix	trans	-65.1	-46.1	173.6	-174.1	-83.7	0	0	0	111.9	W44 Q48 M49 E50 S54 R55 T56	W44-H52 HydrophobicContact CH2-CB 4.14Å; W44-H52 AromaticContact CH2-CD2 3.66Å; W44-H52 AromaticContact CH2-CG 3.98Å; W44-H52 HydrophobicContact CZ3-CB 3.68Å; W44-H52 AromaticContact CZ3-CD2 4Å; W44-H52 AromaticContact CZ3-CG 3.82Å; Q48-H52 PolarHBondContact O-N 3.31Å; M49-H52 PolarHBondContact O-N 3.45Å; E50-H52 VanDerWaalsContact C-N 3.29Å; E50-H52 PolarHBondContact O-N 3.38Å; H52-S54 VanDerWaalsContact C-N 3.27Å; H52-S54 PolarHBondContact O-N 3.48Å; H52-R55 PolarHBondContact O-N 3.06Å; H52-T56 PolarHBondContact O-N 2.87Å; H52-T56 PolarHBondContact O-OG1 3.43Å
53	A	66.8	Low	60	Low	53 Å²	53	100 Å²	100	44%	0.438	53%	0.532	S	S	.	.	H	α-helix	trans	-56.6	-40.7	178.3	0	0	0	0	0	112.3	M49 E50 T56	M49-A53 PolarHBondContact O-N 2.73Å; M49-A53 VanDerWaalsContact O-N 3.08Å; E50-A53 PolarHBondContact O-N 3.41Å; A53-T56 WeakPolarHBondContact CA-OG1 3.31Å; A53-T56 PolarHBondContact O-OG1 3.26Å
54	S	57.5	Low	57.7	Low	64 Å²	64	99 Å²	99	45%	0.448	52%	0.524	S	S	.	.	H	α-helix	trans	-69.1	-32.9	175	70.2	0	0	0	0	113.9	E50 G51 H52 Q57	E50-S54 PolarHBondContact O-N 3.48Å; E50-S54 VanDerWaalsContact O-N 3.08Å; G51-S54 PolarHBondContact O-OG 3.45Å; H52-S54 VanDerWaalsContact C-N 3.27Å; H52-S54 PolarHBondContact O-N 3.48Å; S54-Q57 WeakPolarHBondContact O-CB 3.49Å; S54-Q57 PolarHBondContact O-N 3.32Å
55	R	53.4	Low	55.3	Low	197 Å²	197	105 Å²	105	74%	0.743	55%	0.554	S	S	*	*	H	α-helix	trans	-71.6	-36.6	176.9	-89.4	-177.6	174.1	-179.3	-1	111.9	G51 H52 Q57 Q58	G51-R55 PolarHBondContact O-N 2.8Å; G51-R55 VanDerWaalsContact O-N 3.14Å; H52-R55 PolarHBondContact O-N 3.06Å; R55-Q57 PolarHBondContact O-N 3.2Å; R55-Q58 PolarHBondContact O-N 3.31Å
56	T	48.9	Very low	53.6	Low	74 Å²	74	105.3 Å²	105.3	45%	0.454	55%	0.55	S	S	.	*	H	α-helix	trans	-67.5	-15	173.6	30	0	0	0	0	114.2	H52 A53 Q58	H52-T56 PolarHBondContact O-N 2.87Å; H52-T56 PolarHBondContact O-OG1 3.43Å; A53-T56 WeakPolarHBondContact CA-OG1 3.31Å; A53-T56 PolarHBondContact O-OG1 3.26Å; T56-Q58 VanDerWaalsContact C-N 3.26Å
57	Q	39.9	Very low	51.9	Low	168 Å²	168	106.4 Å²	106.4	79%	0.785	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	-17.1	169.9	-69.4	177.2	-6.8	0	0	112.5	S54 R55	S54-Q57 WeakPolarHBondContact O-CB 3.49Å; S54-Q57 PolarHBondContact O-N 3.32Å; R55-Q57 PolarHBondContact O-N 3.2Å
58	Q	32.2	Very low	50.4	Low	144 Å²	144	106.4 Å²	106.4	67%	0.673	56%	0.559	S	S	*	*	S	Bend	trans	-94.4	123.6	169.5	-67.1	176.3	-9.2	0	0	107.3	R55 T56	R55-Q58 PolarHBondContact O-N 3.31Å; T56-Q58 VanDerWaalsContact C-N 3.26Å
59	T	29.5	Very low	49.2	Very low	124 Å²	124	106.2 Å²	106.2	76%	0.761	56%	0.558	S	S	*	*			trans	65.8	92.6	177.3	45.4	0	0	0	0	117.8
60	L	31.7	Very low	48.4	Very low	134 Å²	134	108.5 Å²	108.5	70%	0.702	58%	0.575	S	S	*	*			trans	-143.1	103.1	140.8	-76.4	173.3	0	0	0	110.1	V62	L60-V62 PolarHBondContact O-N 3.17Å
61	P	36.8	Very low	48	Very low	114 Å²	114	108.5 Å²	108.5	74%	0.74	57%	0.573	S	S	*	*				-63.4	117.2	127.8	17.6	-4.3	0	0	0	105.8	A63	P61-A63 PolarHBondContact O-N 3.37Å
62	V	37.5	Very low	47.9	Very low	89 Å²	89	109.6 Å²	109.6	54%	0.539	58%	0.579	S	S	.	*			trans	-62.7	89.1	174.1	178.2	0	0	0	0	107.3	L60 V64 P113	L60-V62 PolarHBondContact O-N 3.17Å; V62-V64 PolarHBondContact O-N 2.97Å; V62-P113 VanDerWaalsContact O-CG 3.27Å; V62-P113 WeakPolarHBondContact O-CG 3.48Å
63	A	35.1	Very low	48.4	Very low	70 Å²	70	110.4 Å²	110.4	58%	0.579	58%	0.583	S	S	*	*			trans	-71.6	112.7	163.3	0	0	0	0	0	106.2	P61 Q65	P61-A63 PolarHBondContact O-N 3.37Å; A63-Q65 VanDerWaalsContact C-N 3.26Å; A63-Q65 PolarHBondContact O-N 3.26Å
64	V	39.3	Very low	49.3	Very low	50 Å²	50	109.2 Å²	109.2	30%	0.303	57%	0.569	S	S	.	*			trans	-64.4	93.2	169.6	-176.3	0	0	0	0	106.5	V62 E66 L74 P113	V62-V64 PolarHBondContact O-N 2.97Å; V64-E66 HydrophobicContact CG1-CG 4.2Å; V64-E66 PolarHBondContact O-N 3.35Å; V64-L74 HydrophobicContact CG1-CD1 3.93Å; V64-P113 HydrophobicContact CG2-CB 4.31Å; V64-P113 HydrophobicContact CG2-CG 4.43Å
65	Q	36.1	Very low	51	Low	168 Å²	168	106.4 Å²	106.4	79%	0.785	55%	0.549	S	S	*	.			trans	-72.5	95.4	172.8	-74.8	-170.4	-3.5	0	0	108	A63 K67	A63-Q65 VanDerWaalsContact C-N 3.26Å; A63-Q65 PolarHBondContact O-N 3.26Å; Q65-K67 VanDerWaalsContact C-N 3.33Å; Q65-K67 PolarHBondContact O-N 2.81Å
66	E	45.3	Very low	52.7	Low	76 Å²	76	100 Å²	100	36%	0.355	53%	0.531	S	S	.	.			trans	-83.5	5.8	-162.8	-136.3	-175.4	179.4	0	0	115.1	V64 V115 S116 A119	V64-E66 HydrophobicContact CG1-CG 4.2Å; V64-E66 PolarHBondContact O-N 3.35Å; E66-V115 WeakPolarHBondContact OE1-CB 3.14Å; E66-S116 WeakPolarHBondContact OE1-CB 3.18Å; E66-S116 PolarHBondContact OE1-N 3.12Å; E66-S116 PolarHBondContact OE1-OG 3.41Å; E66-S116 WeakPolarHBondContact OE2-CB 3.39Å; E66-S116 PolarHBondContact OE2-N 2.59Å; E66-S116 VanDerWaalsContact OE2-N 3.16Å; E66-A119 WeakPolarHBondContact OE1-CB 3.24Å
67	K	42.2	Very low	54.6	Low	194 Å²	194	101.7 Å²	101.7	84%	0.843	53%	0.529	S	S	*	.	S	Bend	trans	-74.5	-35.5	-164.4	-74.5	-164.9	174	-175.7	0	116.3	Q65	Q65-K67 VanDerWaalsContact C-N 3.33Å; Q65-K67 PolarHBondContact O-N 2.81Å
68	H	43.1	Very low	57.1	Low	158 Å²	158	94.2 Å²	94.2	73%	0.731	50%	0.496	S	S	*	.	S	Bend	trans	-149.2	36.6	-177.5	-77.1	-22.9	0	0	0	116.7
69	Q	53.3	Low	60.1	Low	98 Å²	98	87.6 Å²	87.6	46%	0.458	46%	0.464	S	S	.	.			trans	-97.8	141.7	178.6	-80.7	174.4	-0.7	0	0	113.8	K71 R77	Q69-K71 PolarHBondContact O-N 3.43Å; Q69-R77 VanDerWaalsContact CD-NH1 3.35Å; Q69-R77 VanDerWaalsContact OE1-CZ 3.27Å
70	P	64.9	Low	63	Low	74 Å²	74	85 Å²	85	48%	0.481	44%	0.444	S	S	.	.			trans	-57.1	131.6	175.7	-22.9	32.5	0	0	0	111.8	A72 E73	P70-A72 PolarHBondContact O-N 3.14Å; P70-E73 HydrophobicContact CB-CG 4.35Å; P70-E73 HydrophobicContact CG-CG 4.49Å; P70-E73 WeakPolarHBondContact O-CB 3.3Å; P70-E73 PolarHBondContact O-N 3.39Å
71	K	68.6	Low	65.8	Low	134 Å²	134	79.6 Å²	79.6	58%	0.583	42%	0.417	S	S	*	.	H	α-helix	trans	-51.6	-30	-177.7	-68.6	162.3	167.3	-167.2	0	114	Q69 L74 L75 A122	Q69-K71 PolarHBondContact O-N 3.43Å; K71-L74 PolarHBondContact O-N 2.94Å; K71-L75 PolarHBondContact O-N 3.11Å; K71-A122 HydrophobicContact CB-CB 4.17Å; K71-A122 HydrophobicContact CD-CB 3.51Å; K71-A122 HydrophobicContact CG-CB 3.9Å
72	A	70.8	Confident	68.5	Low	56 Å²	56	74.3 Å²	74.3	46%	0.463	38%	0.383	S	S	.	.	H	α-helix	trans	-69.1	-32.3	176.2	0	0	0	0	0	113.4	P70 T76	P70-A72 PolarHBondContact O-N 3.14Å; A72-T76 PolarHBondContact O-N 3.39Å; A72-T76 PolarHBondContact O-OG1 2.76Å
73	E	83	Confident	71.1	Confident	80 Å²	80	72.6 Å²	72.6	37%	0.374	37%	0.371	S	S	.	.	H	α-helix	trans	-69.7	-37.7	175.8	-67.1	-174.9	-160.5	0	0	111.3	P70 L75 T76 R77	P70-E73 HydrophobicContact CB-CG 4.35Å; P70-E73 HydrophobicContact CG-CG 4.49Å; P70-E73 WeakPolarHBondContact O-CB 3.3Å; P70-E73 PolarHBondContact O-N 3.39Å; E73-L75 PolarHBondContact O-N 3.18Å; E73-T76 PolarHBondContact O-N 3.3Å; E73-R77 WeakPolarHBondContact O-CB 3.37Å; E73-R77 VanDerWaalsContact O-CG 3.27Å; E73-R77 WeakPolarHBondContact O-CG 3.31Å; E73-R77 PolarHBondContact O-N 3.38Å; E73-R77 IonicContact OE2-CZ 2.72Å; E73-R77 IonicContact OE2-NH2 3.59Å; E73-R77 PolarHBondContact OE2-NH2 3.38Å
74	L	86.8	Confident	73.6	Confident	27 Å²	27	76.5 Å²	76.5	14%	0.141	38%	0.377	C	S	.	.	H	α-helix	trans	-57.9	-51.4	176.6	-179.6	62.3	0	0	0	110.7	V64 K71 T76 R77 T78 V115 A119 L123	V64-L74 HydrophobicContact CG1-CD1 3.93Å; K71-L74 PolarHBondContact O-N 2.94Å; L74-T76 PolarHBondContact O-N 3.15Å; L74-R77 PolarHBondContact O-N 2.94Å; L74-T78 PolarHBondContact O-N 3.26Å; L74-T78 PolarHBondContact O-OG1 3.28Å; L74-V115 HydrophobicContact CD2-CG1 4.42Å; L74-A119 HydrophobicContact CD2-CB 3.92Å; L74-L123 HydrophobicContact CB-CD2 4.47Å; L74-L123 HydrophobicContact CD2-CD1 3.98Å; L74-L123 HydrophobicContact CD2-CD2 4.21Å; L74-L123 HydrophobicContact CD2-CG 4.19Å; L74-L123 HydrophobicContact CG-CD1 4.39Å; L74-L123 HydrophobicContact CG-CD2 4.15Å
75	L	91.8	Very high	76.1	Confident	5 Å²	5	76.2 Å²	76.2	3%	0.026	37%	0.372	C	S	.	.	H	α-helix	trans	-57.9	-50.2	177.7	178	59.6	0	0	0	111.4	K71 E73 R77 T78 L79 L123 R126 L127 L130	K71-L75 PolarHBondContact O-N 3.11Å; E73-L75 PolarHBondContact O-N 3.18Å; L75-R77 VanDerWaalsContact C-N 3.3Å; L75-R77 PolarHBondContact O-N 3.03Å; L75-T78 PolarHBondContact O-N 2.85Å; L75-T78 VanDerWaalsContact O-N 3.16Å; L75-L79 HydrophobicContact CD1-CD1 4.11Å; L75-L79 HydrophobicContact CD1-CD2 4.29Å; L75-L79 HydrophobicContact CD1-CG 3.97Å; L75-L79 HydrophobicContact CG-CD1 4.12Å; L75-L79 HydrophobicContact CG-CG 4.34Å; L75-L79 WeakPolarHBondContact O-CG 3.29Å; L75-L79 PolarHBondContact O-N 2.88Å; L75-L123 HydrophobicContact CB-CD2 3.61Å; L75-L123 HydrophobicContact CD1-CD2 4.14Å; L75-L123 HydrophobicContact CG-CD2 4.43Å; L75-R126 HydrophobicContact CD2-CB 4.14Å; L75-R126 HydrophobicContact CD2-CG 3.43Å; L75-R126 VanDerWaalsContact CD2-CG 3.43Å; L75-L127 HydrophobicContact CD1-CD1 4.25Å; L75-L127 HydrophobicContact CD1-CD2 3.79Å; L75-L127 HydrophobicContact CD1-CG 3.99Å; L75-L127 HydrophobicContact CD2-CD2 4.14Å; L75-L127 HydrophobicContact CD2-CG 4.3Å; L75-L130 HydrophobicContact CD2-CD1 3.85Å
76	T	90.5	Very high	78.7	Confident	62 Å²	62	71.8 Å²	71.8	38%	0.38	35%	0.348	S	S	.	.	H	α-helix	trans	-58.4	-44	-177.8	-54.6	0	0	0	0	111	A72 E73 L74 L79 Q80 L150	A72-T76 PolarHBondContact O-N 3.39Å; A72-T76 PolarHBondContact O-OG1 2.76Å; E73-T76 PolarHBondContact O-N 3.3Å; L74-T76 PolarHBondContact O-N 3.15Å; T76-L79 PolarHBondContact O-N 3.23Å; T76-Q80 WeakPolarHBondContact O-CB 3.3Å; T76-Q80 VanDerWaalsContact O-CG 3.29Å; T76-Q80 WeakPolarHBondContact O-CG 3.25Å; T76-Q80 PolarHBondContact O-N 2.93Å; T76-L150 HydrophobicContact CG2-CD2 4.34Å
77	R	89	Confident	81	Confident	110 Å²	110	68.4 Å²	68.4	42%	0.415	33%	0.333	S	S	.	.	H	α-helix	trans	-67	-40	176.5	-70.2	179.7	-167	177.8	13.5	112.6	Q69 E73 L74 L75 L79 Q80 S81	Q69-R77 VanDerWaalsContact CD-NH1 3.35Å; Q69-R77 VanDerWaalsContact OE1-CZ 3.27Å; E73-R77 WeakPolarHBondContact O-CB 3.37Å; E73-R77 VanDerWaalsContact O-CG 3.27Å; E73-R77 WeakPolarHBondContact O-CG 3.31Å; E73-R77 PolarHBondContact O-N 3.38Å; E73-R77 IonicContact OE2-CZ 2.72Å; E73-R77 IonicContact OE2-NH2 3.59Å; E73-R77 PolarHBondContact OE2-NH2 3.38Å; L74-R77 PolarHBondContact O-N 2.94Å; L75-R77 VanDerWaalsContact C-N 3.3Å; L75-R77 PolarHBondContact O-N 3.03Å; R77-L79 VanDerWaalsContact C-N 3.33Å; R77-L79 PolarHBondContact O-N 2.86Å; R77-Q80 PolarHBondContact O-N 3.01Å; R77-S81 WeakPolarHBondContact O-CB 3.46Å; R77-S81 PolarHBondContact O-N 2.92Å
78	T	91.9	Very high	83.3	Confident	12 Å²	12	60.7 Å²	60.7	7%	0.074	30%	0.304	C	S	.	.	H	α-helix	trans	-60.2	-44.9	174.7	-59.4	0	0	0	0	110.9	L74 L75 A82 I90 I101	L74-T78 PolarHBondContact O-N 3.26Å; L74-T78 PolarHBondContact O-OG1 3.28Å; L75-T78 PolarHBondContact O-N 2.85Å; L75-T78 VanDerWaalsContact O-N 3.16Å; T78-A82 WeakPolarHBondContact O-CB 3.32Å; T78-A82 PolarHBondContact O-N 3.07Å; T78-I90 HydrophobicContact CG2-CG2 4.22Å; T78-I101 HydrophobicContact CG2-CG2 4.21Å
79	L	94.3	Very high	85.9	Confident	4 Å²	4	53.6 Å²	53.6	2%	0.021	27%	0.271	C	S	.	.	H	α-helix	trans	-66.4	-43.9	177.7	-62.7	-179.4	0	0	0	112.1	L75 T76 R77 A82 L83 I90 V148 L150 F157 L172	L75-L79 HydrophobicContact CD1-CD1 4.11Å; L75-L79 HydrophobicContact CD1-CD2 4.29Å; L75-L79 HydrophobicContact CD1-CG 3.97Å; L75-L79 HydrophobicContact CG-CD1 4.12Å; L75-L79 HydrophobicContact CG-CG 4.34Å; L75-L79 WeakPolarHBondContact O-CG 3.29Å; L75-L79 PolarHBondContact O-N 2.88Å; T76-L79 PolarHBondContact O-N 3.23Å; R77-L79 VanDerWaalsContact C-N 3.33Å; R77-L79 PolarHBondContact O-N 2.86Å; L79-A82 PolarHBondContact O-N 2.78Å; L79-L83 WeakPolarHBondContact O-CG 3.33Å; L79-L83 PolarHBondContact O-N 2.86Å; L79-L83 VanDerWaalsContact O-N 3.08Å; L79-I90 HydrophobicContact CD2-CD1 3.57Å; L79-V148 HydrophobicContact CD1-CG2 4.16Å; L79-L150 HydrophobicContact CB-CD1 3.72Å; L79-L150 HydrophobicContact CB-CD2 4.2Å; L79-L150 HydrophobicContact CD1-CD1 4.38Å; L79-F157 HydrophobicContact CD2-CE1 4.42Å; L79-F157 HydrophobicContact CD2-CE2 4.47Å; L79-F157 HydrophobicContact CD2-CZ 4.13Å; L79-L172 HydrophobicContact CD2-CD1 3.76Å
80	Q	91.8	Very high	88	Confident	70 Å²	70	49.1 Å²	49.1	33%	0.327	25%	0.251	S	S	.	.	H	α-helix	trans	-60.9	-48.3	175.6	-75.8	173.6	-15.3	0	0	111.6	T76 R77 A82 L83 E84 L150	T76-Q80 WeakPolarHBondContact O-CB 3.3Å; T76-Q80 VanDerWaalsContact O-CG 3.29Å; T76-Q80 WeakPolarHBondContact O-CG 3.25Å; T76-Q80 PolarHBondContact O-N 2.93Å; R77-Q80 PolarHBondContact O-N 3.01Å; Q80-A82 VanDerWaalsContact C-N 3.29Å; Q80-A82 PolarHBondContact O-N 2.89Å; Q80-L83 WeakPolarHBondContact O-CB 3.41Å; Q80-L83 PolarHBondContact O-N 2.86Å; Q80-L83 VanDerWaalsContact O-N 3.09Å; Q80-E84 WeakPolarHBondContact O-CG 3.44Å; Q80-E84 PolarHBondContact O-N 2.81Å; Q80-L150 HydrophobicContact CG-CD2 4.06Å
81	S	90.7	Very high	89.6	Confident	21 Å²	21	46.3 Å²	46.3	15%	0.147	23%	0.231	C	C	.	.	H	α-helix	trans	-61.8	-38.6	179.1	-165.9	0	0	0	0	111.8	R77 L83 Q85	R77-S81 WeakPolarHBondContact O-CB 3.46Å; R77-S81 PolarHBondContact O-N 2.92Å; S81-L83 VanDerWaalsContact C-N 3.34Å; S81-L83 PolarHBondContact O-N 2.76Å; S81-Q85 VanDerWaalsContact O-CB 3.31Å; S81-Q85 WeakPolarHBondContact O-CB 3.49Å; S81-Q85 VanDerWaalsContact O-CG 3.25Å; S81-Q85 WeakPolarHBondContact O-CG 3.34Å; S81-Q85 PolarHBondContact O-N 3Å; S81-Q85 PolarHBondContact O-NE2 3.07Å; S81-Q85 PolarHBondContact OG-NE2 3.25Å
82	A	92.9	Very high	90.9	Very high	3 Å²	3	40 Å²	40	3%	0.025	20%	0.203	C	C	.	.	H	α-helix	trans	-62.2	-41	174.5	0	0	0	0	0	112.1	T78 L79 Q80 R86 A87 I90 L103	T78-A82 WeakPolarHBondContact O-CB 3.32Å; T78-A82 PolarHBondContact O-N 3.07Å; L79-A82 PolarHBondContact O-N 2.78Å; Q80-A82 VanDerWaalsContact C-N 3.29Å; Q80-A82 PolarHBondContact O-N 2.89Å; A82-R86 PolarHBondContact O-N 2.92Å; A82-A87 HydrophobicContact CB-CB 4.07Å; A82-A87 VanDerWaalsContact O-CB 3.31Å; A82-A87 WeakPolarHBondContact O-CB 3.46Å; A82-A87 PolarHBondContact O-N 3.41Å; A82-I90 HydrophobicContact CB-CD1 3.41Å; A82-I90 VanDerWaalsContact CB-CD1 3.41Å; A82-I90 HydrophobicContact CB-CG1 3.69Å; A82-L103 HydrophobicContact CB-CD1 4.39Å; A82-L103 HydrophobicContact CB-CD2 3.76Å
83	L	90.7	Very high	92.2	Very high	52 Å²	52	38.3 Å²	38.3	27%	0.272	19%	0.186	S	C	.	.	H	α-helix	trans	-68	-47.6	176.3	-72.4	174.7	0	0	0	112.6	L79 Q80 S81 Q85 R86 L150 V155 L174	L79-L83 WeakPolarHBondContact O-CG 3.33Å; L79-L83 PolarHBondContact O-N 2.86Å; L79-L83 VanDerWaalsContact O-N 3.08Å; Q80-L83 WeakPolarHBondContact O-CB 3.41Å; Q80-L83 PolarHBondContact O-N 2.86Å; Q80-L83 VanDerWaalsContact O-N 3.09Å; S81-L83 VanDerWaalsContact C-N 3.34Å; S81-L83 PolarHBondContact O-N 2.76Å; L83-Q85 PolarHBondContact O-N 2.99Å; L83-R86 PolarHBondContact O-N 3.41Å; L83-L150 HydrophobicContact CD1-CB 3.69Å; L83-L150 HydrophobicContact CD1-CD1 3.41Å; L83-L150 VanDerWaalsContact CD1-CD1 3.41Å; L83-L150 HydrophobicContact CD1-CG 4.18Å; L83-L150 HydrophobicContact CG-CD1 4.42Å; L83-V155 HydrophobicContact CD1-CG1 4.32Å; L83-V155 HydrophobicContact CD1-CG2 3.89Å; L83-V155 HydrophobicContact CD2-CG1 4.05Å; L83-L174 HydrophobicContact CD2-CD1 3.87Å; L83-L174 HydrophobicContact CD2-CD2 3.79Å
84	E	89.4	Confident	92.8	Very high	153 Å²	153	35.6 Å²	35.6	72%	0.715	18%	0.175	S	C	*	.	H	α-helix	trans	-57	-37.3	177.2	-72.6	172.4	179	0	0	111.4	Q80 R86	Q80-E84 WeakPolarHBondContact O-CG 3.44Å; Q80-E84 PolarHBondContact O-N 2.81Å; E84-R86 VanDerWaalsContact C-N 3.32Å; E84-R86 PolarHBondContact O-N 3.39Å
85	Q	90.2	Very high	93	Very high	43 Å²	43	35.9 Å²	35.9	20%	0.201	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	3.8	177.9	-65.9	179.6	58.5	0	0	114.3	S81 L83 A87 L103 I105	S81-Q85 VanDerWaalsContact O-CB 3.31Å; S81-Q85 WeakPolarHBondContact O-CB 3.49Å; S81-Q85 VanDerWaalsContact O-CG 3.25Å; S81-Q85 WeakPolarHBondContact O-CG 3.34Å; S81-Q85 PolarHBondContact O-N 3Å; S81-Q85 PolarHBondContact O-NE2 3.07Å; S81-Q85 PolarHBondContact OG-NE2 3.25Å; L83-Q85 PolarHBondContact O-N 2.99Å; Q85-A87 VanDerWaalsContact C-N 3.31Å; Q85-A87 PolarHBondContact O-N 3.05Å; Q85-L103 HydrophobicContact CB-CD1 4.43Å; Q85-I105 HydrophobicContact CB-CD1 3.85Å; Q85-I105 WeakPolarHBondContact O-CG2 3.44Å
86	R	90.6	Very high	92.8	Very high	75 Å²	75	42.4 Å²	42.4	28%	0.283	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	36.5	-178.5	-50.9	-179.4	-64.6	104	7.5	113.8	A82 L83 E84 D106	A82-R86 PolarHBondContact O-N 2.92Å; L83-R86 PolarHBondContact O-N 3.41Å; E84-R86 VanDerWaalsContact C-N 3.32Å; E84-R86 PolarHBondContact O-N 3.39Å; R86-D106 IonicContact CZ-OD1 3.58Å; R86-D106 IonicContact CZ-OD2 2.8Å; R86-D106 IonicContact NH1-OD1 3.57Å; R86-D106 PolarHBondContact NH1-OD1 3.13Å; R86-D106 IonicContact NH1-OD2 3.35Å; R86-D106 PolarHBondContact NH1-OD2 3.13Å; R86-D106 IonicContact NH2-OD1 2.93Å; R86-D106 IonicContact NH2-OD2 3.86Å; R86-D106 PolarHBondContact NH2-OD2 3.05Å
87	A	93.7	Very high	92.8	Very high	5 Å²	5	46.4 Å²	46.4	4%	0.041	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	135.9	177.2	0	0	0	0	0	111.6	A82 Q85 L103 R104 I105	A82-A87 HydrophobicContact CB-CB 4.07Å; A82-A87 VanDerWaalsContact O-CB 3.31Å; A82-A87 WeakPolarHBondContact O-CB 3.46Å; A82-A87 PolarHBondContact O-N 3.41Å; Q85-A87 VanDerWaalsContact C-N 3.31Å; Q85-A87 PolarHBondContact O-N 3.05Å; A87-L103 HydrophobicContact CB-CB 3.96Å; A87-L103 HydrophobicContact CB-CD1 4.44Å; A87-L103 HydrophobicContact CB-CD2 4.33Å; A87-L103 HydrophobicContact CB-CG 4.48Å; A87-R104 CarbonylContact C-O 3.57Å; A87-R104 WeakPolarHBondContact CA-O 3.14Å; A87-I105 HydrophobicContact CB-CG1 4.04Å
88	S	92.4	Very high	93	Very high	32 Å²	32	42.1 Å²	42.1	22%	0.224	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	-31.3	172.7	63.3	0	0	0	0	112.6	R104 L174	S88-R104 PolarHBondContact N-O 3.2Å; S88-R104 PolarHBondContact OG-O 3.18Å; S88-L174 PolarHBondContact O-N 3.2Å
89	D	96	Very high	93.1	Very high	9 Å²	9	42 Å²	42	5%	0.048	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	146.2	-178.1	-47	-107.9	0	0	0	110.3	R104 L172 R173	D89-R104 HydrophobicContact CB-CB 3.9Å; D89-R104 PolarHBondContact O-N 2.76Å; D89-R104 VanDerWaalsContact OD2-CD 3.23Å; D89-R104 WeakPolarHBondContact OD2-CD 3.37Å; D89-R104 IonicContact OD2-NE 3.64Å; D89-R104 PolarHBondContact OD2-NE 3.48Å; D89-L172 CarbonylContact C-O 3.55Å; D89-L172 WeakPolarHBondContact CA-O 3.35Å; D89-R173 IonicContact OD1-CZ 3.58Å; D89-R173 IonicContact OD1-NE 3.58Å; D89-R173 PolarHBondContact OD1-NE 3.12Å; D89-R173 IonicContact OD1-NH2 2.76Å; D89-R173 PolarHBondContact OD1-NH2 2.71Å
90	I	97.6	Very high	93.2	Very high	4 Å²	4	47 Å²	47	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	123.1	173.2	-51.3	172.2	0	0	0	106.8	T78 L79 A82 I92 I101 L103 F157 V171 L172	T78-I90 HydrophobicContact CG2-CG2 4.22Å; L79-I90 HydrophobicContact CD2-CD1 3.57Å; A82-I90 HydrophobicContact CB-CD1 3.41Å; A82-I90 VanDerWaalsContact CB-CD1 3.41Å; A82-I90 HydrophobicContact CB-CG1 3.69Å; I90-I92 HydrophobicContact CG2-CG1 4.37Å; I90-I101 HydrophobicContact CG2-CG2 4.32Å; I90-L103 HydrophobicContact CB-CD2 4.33Å; I90-L103 HydrophobicContact CG1-CD2 3.95Å; I90-L103 HydrophobicContact CG2-CD2 4.02Å; I90-F157 HydrophobicContact CD1-CE1 4.28Å; I90-V171 CarbonylContact O-C 3.5Å; I90-V171 WeakPolarHBondContact O-CA 3.34Å; I90-L172 HydrophobicContact CB-CB 4.14Å; I90-L172 HydrophobicContact CB-CD1 4.38Å; I90-L172 HydrophobicContact CD1-CD1 4.22Å; I90-L172 PolarHBondContact N-O 3.49Å; I90-L172 PolarHBondContact O-N 2.87Å
91	H	98.1	Very high	93.4	Very high	15 Å²	15	43.9 Å²	43.9	7%	0.069	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	122.7	178.4	-65.9	-103.4	0	0	0	108.8	E93 I101 R102 R104 L109	H91-E93 HydrophobicContact CB-CG 4.36Å; H91-I101 CarbonylContact O-C 3.59Å; H91-I101 VanDerWaalsContact O-CA 3.27Å; H91-I101 WeakPolarHBondContact O-CA 3.36Å; H91-R102 HydrophobicContact CB-CB 4.24Å; H91-R102 PolarHBondContact N-O 3.19Å; H91-R102 PolarHBondContact O-N 3.2Å; H91-R104 PolarHBondContact NE2-NH2 3.05Å; H91-L109 WeakPolarHBondContact CD2-CD2 3.3Å
92	I	97.4	Very high	93.7	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	113.8	173.6	-58.3	171.2	0	0	0	106.2	I90 Y99 I101 L123 L127 K169 V170	I90-I92 HydrophobicContact CG2-CG1 4.37Å; I92-Y99 HydrophobicContact CG2-CD1 3.83Å; I92-I101 HydrophobicContact CG1-CG1 4.4Å; I92-L123 HydrophobicContact CD1-CB 4.44Å; I92-L123 HydrophobicContact CD1-CD1 4.46Å; I92-L127 HydrophobicContact CD1-CD1 3.57Å; I92-K169 CarbonylContact O-C 3.57Å; I92-K169 WeakPolarHBondContact O-CA 3.4Å; I92-V170 HydrophobicContact CB-CB 4.3Å; I92-V170 PolarHBondContact N-O 3.3Å; I92-V170 PolarHBondContact O-N 2.86Å
93	E	97	Very high	93.9	Very high	22 Å²	22	45.6 Å²	45.6	10%	0.103	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	132.1	-166	-63.6	176.2	127.5	0	0	110.9	H91 Y99 R100 R102 K169	H91-E93 HydrophobicContact CB-CG 4.36Å; E93-Y99 CarbonylContact O-C 3.54Å; E93-Y99 WeakPolarHBondContact O-CA 3.33Å; E93-R100 PolarHBondContact N-O 2.88Å; E93-R100 PolarHBondContact O-N 3.41Å; E93-R102 IonicContact OE1-CZ 2.76Å; E93-R102 IonicContact OE1-NH2 2.71Å; E93-R102 PolarHBondContact OE1-NH2 3.43Å; E93-R102 IonicContact OE2-CZ 3.26Å; E93-R102 IonicContact OE2-NE 3.5Å; E93-R102 PolarHBondContact OE2-NE 3.29Å; E93-R102 IonicContact OE2-NH2 3.45Å; E93-R102 PolarHBondContact OE2-NH2 3.47Å; E93-K169 HydrophobicContact CG-CD 3.91Å; E93-K169 HydrophobicContact CG-CG 3.97Å; E93-K169 VanDerWaalsContact OE1-CE 3.23Å; E93-K169 WeakPolarHBondContact OE1-CE 3.23Å; E93-K169 IonicContact OE1-NZ 2.92Å; E93-K169 PolarHBondContact OE1-NZ 3.16Å
94	P	96.1	Very high	94.1	Very high	22 Å²	22	46.2 Å²	46.2	14%	0.143	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	138.3	172.6	29.3	-34.2	0	0	0	110	Y99 C164	P94-Y99 HydrophobicContact CB-CE1 4.03Å; P94-Y99 HydrophobicContact CB-CE2 4.38Å; P94-C164 HydrophobicContact CG-CB 3.74Å
95	A	91.6	Very high	94.3	Very high	34 Å²	34	39 Å²	39	28%	0.281	19%	0.194	S	C	.	.			trans	-124.5	177.3	166.3	0	0	0	0	0	108.9	N97 A98	A95-N97 VanDerWaalsContact C-N 3.34Å; A95-N97 PolarHBondContact O-N 3.14Å; A95-A98 CarbonylContact C-O 3.52Å; A95-A98 WeakPolarHBondContact CA-O 3.43Å; A95-A98 WeakPolarHBondContact CB-O 3.48Å; A95-A98 PolarHBondContact N-O 3.32Å
96	D	86.8	Confident	94.5	Very high	141 Å²	141	37.8 Å²	37.8	75%	0.754	19%	0.188	S	C	*	.	S	Bend	trans	-57.2	-42.3	-170.4	-68.7	-35.5	0	0	0	113.6
97	N	89.8	Confident	94.5	Very high	147 Å²	147	35.3 Å²	35.3	79%	0.786	19%	0.187	S	C	*	.	S	Bend	trans	-131.9	14.9	-177.6	-71.5	-25.4	0	0	0	113.7	A95 P117	A95-N97 VanDerWaalsContact C-N 3.34Å; A95-N97 PolarHBondContact O-N 3.14Å; N97-P117 WeakPolarHBondContact O-CG 3.49Å
98	A	93.6	Very high	94.5	Very high	19 Å²	19	36.6 Å²	36.6	16%	0.157	19%	0.194	C	C	.	.	S	Bend	trans	-159	170.8	-178.1	0	0	0	0	0	110.6	A95 D114	A95-A98 CarbonylContact C-O 3.52Å; A95-A98 WeakPolarHBondContact CA-O 3.43Å; A95-A98 WeakPolarHBondContact CB-O 3.48Å; A95-A98 PolarHBondContact N-O 3.32Å; A98-D114 HydrophobicContact CB-CB 4Å
99	Y	95	Very high	94.7	Very high	10 Å²	10	37.3 Å²	37.3	4%	0.039	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	128.5	163.2	-88.5	-110.4	0	0	0	109.6	I92 E93 P94 D114 V115 V121	I92-Y99 HydrophobicContact CG2-CD1 3.83Å; E93-Y99 CarbonylContact O-C 3.54Å; E93-Y99 WeakPolarHBondContact O-CA 3.33Å; P94-Y99 HydrophobicContact CB-CE1 4.03Å; P94-Y99 HydrophobicContact CB-CE2 4.38Å; Y99-D114 WeakPolarHBondContact O-CA 3.24Å; Y99-V115 PolarHBondContact N-O 3.2Å; Y99-V115 PolarHBondContact O-N 3.47Å; Y99-V121 HydrophobicContact CE2-CG2 4.34Å
100	R	95.7	Very high	94.6	Very high	110 Å²	110	38 Å²	38	42%	0.415	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	130.5	174.8	-175	179.5	-65.5	160	0.9	109.6	E93 R102 D114	E93-R100 PolarHBondContact N-O 2.88Å; E93-R100 PolarHBondContact O-N 3.41Å; R100-R102 HydrophobicContact CG-CG 3.94Å; R100-D114 WeakPolarHBondContact CA-OD1 3.41Å
101	I	96.2	Very high	94.4	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	130.2	170.5	-54.4	-179.5	0	0	0	108.8	T78 I90 H91 I92 L112 V115 L123	T78-I101 HydrophobicContact CG2-CG2 4.21Å; I90-I101 HydrophobicContact CG2-CG2 4.32Å; H91-I101 CarbonylContact O-C 3.59Å; H91-I101 VanDerWaalsContact O-CA 3.27Å; H91-I101 WeakPolarHBondContact O-CA 3.36Å; I92-I101 HydrophobicContact CG1-CG1 4.4Å; I101-L112 HydrophobicContact CB-CB 4.23Å; I101-L112 HydrophobicContact CG2-CB 4.43Å; I101-L112 HydrophobicContact CG2-CD1 3.88Å; I101-L112 HydrophobicContact CG2-CG 4.43Å; I101-L112 PolarHBondContact O-N 3.43Å; I101-V115 HydrophobicContact CD1-CG1 3.76Å; I101-V115 HydrophobicContact CD1-CG2 4.17Å; I101-V115 HydrophobicContact CG1-CG1 4.5Å; I101-V115 HydrophobicContact CG1-CG2 4.43Å; I101-L123 HydrophobicContact CD1-CD1 4.1Å
102	R	97.2	Very high	94.2	Very high	59 Å²	59	43.4 Å²	43.4	22%	0.223	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	139.2	175	-54.4	-175.9	-73.2	168.3	4.5	110.8	H91 E93 R100 L109 H110	H91-R102 HydrophobicContact CB-CB 4.24Å; H91-R102 PolarHBondContact N-O 3.19Å; H91-R102 PolarHBondContact O-N 3.2Å; E93-R102 IonicContact OE1-CZ 2.76Å; E93-R102 IonicContact OE1-NH2 2.71Å; E93-R102 PolarHBondContact OE1-NH2 3.43Å; E93-R102 IonicContact OE2-CZ 3.26Å; E93-R102 IonicContact OE2-NE 3.5Å; E93-R102 PolarHBondContact OE2-NE 3.29Å; E93-R102 IonicContact OE2-NH2 3.45Å; E93-R102 PolarHBondContact OE2-NH2 3.47Å; R100-R102 HydrophobicContact CG-CG 3.94Å; R102-L109 HydrophobicContact CB-CD2 4.09Å; R102-H110 CarbonylContact C-O 3.57Å; R102-H110 WeakPolarHBondContact CA-O 3.38Å
103	L	96.5	Very high	93.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	133.8	173	-58.2	-175.7	0	0	0	109.4	A82 Q85 A87 I90 I105 L109 H110 L112	A82-L103 HydrophobicContact CB-CD1 4.39Å; A82-L103 HydrophobicContact CB-CD2 3.76Å; Q85-L103 HydrophobicContact CB-CD1 4.43Å; A87-L103 HydrophobicContact CB-CB 3.96Å; A87-L103 HydrophobicContact CB-CD1 4.44Å; A87-L103 HydrophobicContact CB-CD2 4.33Å; A87-L103 HydrophobicContact CB-CG 4.48Å; I90-L103 HydrophobicContact CB-CD2 4.33Å; I90-L103 HydrophobicContact CG1-CD2 3.95Å; I90-L103 HydrophobicContact CG2-CD2 4.02Å; L103-I105 HydrophobicContact CB-CD1 4.09Å; L103-I105 HydrophobicContact CB-CG1 4.06Å; L103-I105 HydrophobicContact CD1-CD1 4.4Å; L103-L109 CarbonylContact O-C 3.51Å; L103-L109 WeakPolarHBondContact O-CA 3.35Å; L103-H110 PolarHBondContact N-O 2.92Å; L103-H110 PolarHBondContact O-N 3.38Å; L103-L112 HydrophobicContact CD1-CD1 3.97Å; L103-L112 HydrophobicContact CD1-CD2 4.04Å; L103-L112 HydrophobicContact CD1-CG 4.26Å; L103-L112 HydrophobicContact CD2-CD1 4.14Å; L103-L112 HydrophobicContact CG-CD1 3.86Å; L103-L112 HydrophobicContact CG-CD2 4.29Å; L103-L112 HydrophobicContact CG-CG 4.03Å
104	R	95.6	Very high	93.7	Very high	66 Å²	66	49.1 Å²	49.1	25%	0.249	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	108.8	166.9	-172	177.1	-52.9	-79.5	-8	108.7	A87 S88 D89 H91 G107 V108 L109	A87-R104 CarbonylContact C-O 3.57Å; A87-R104 WeakPolarHBondContact CA-O 3.14Å; S88-R104 PolarHBondContact N-O 3.2Å; S88-R104 PolarHBondContact OG-O 3.18Å; D89-R104 HydrophobicContact CB-CB 3.9Å; D89-R104 PolarHBondContact O-N 2.76Å; D89-R104 VanDerWaalsContact OD2-CD 3.23Å; D89-R104 WeakPolarHBondContact OD2-CD 3.37Å; D89-R104 IonicContact OD2-NE 3.64Å; D89-R104 PolarHBondContact OD2-NE 3.48Å; H91-R104 PolarHBondContact NE2-NH2 3.05Å; R104-G107 PolarHBondContact NH1-O 3.24Å; R104-G107 VanDerWaalsContact NH1-O 3.12Å; R104-V108 CarbonylContact C-O 3.6Å; R104-V108 VanDerWaalsContact CA-O 3.3Å; R104-V108 WeakPolarHBondContact CA-O 3.35Å; R104-L109 HydrophobicContact CB-CD2 3.93Å
105	I	94	Very high	93.6	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	126.8	179.5	-57.9	164	0	0	0	107.6	Q85 A87 L103 G107 V108 Y379	Q85-I105 HydrophobicContact CB-CD1 3.85Å; Q85-I105 WeakPolarHBondContact O-CG2 3.44Å; A87-I105 HydrophobicContact CB-CG1 4.04Å; L103-I105 HydrophobicContact CB-CD1 4.09Å; L103-I105 HydrophobicContact CB-CG1 4.06Å; L103-I105 HydrophobicContact CD1-CD1 4.4Å; I105-G107 PolarHBondContact O-N 3.25Å; I105-V108 PolarHBondContact N-O 3.46Å; I105-V108 PolarHBondContact O-N 2.91Å; I105-Y379 HydrophobicContact CB-CD1 4.43Å; I105-Y379 HydrophobicContact CD1-CD1 4.02Å; I105-Y379 HydrophobicContact CD1-CD2 3.84Å; I105-Y379 HydrophobicContact CD1-CE1 3.83Å; I105-Y379 HydrophobicContact CD1-CE2 3.6Å; I105-Y379 HydrophobicContact CD1-CG 4.02Å; I105-Y379 HydrophobicContact CG2-CD1 4.31Å; I105-Y379 HydrophobicContact CG2-CG 4.14Å
106	D	92.5	Very high	93.7	Very high	16 Å²	16	48.5 Å²	48.5	9%	0.086	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.9	36	-177.6	-59.3	-37.8	0	0	0	112.7	R86 R342 G384 R385	R86-D106 IonicContact CZ-OD1 3.58Å; R86-D106 IonicContact CZ-OD2 2.8Å; R86-D106 IonicContact NH1-OD1 3.57Å; R86-D106 PolarHBondContact NH1-OD1 3.13Å; R86-D106 IonicContact NH1-OD2 3.35Å; R86-D106 PolarHBondContact NH1-OD2 3.13Å; R86-D106 IonicContact NH2-OD1 2.93Å; R86-D106 IonicContact NH2-OD2 3.86Å; R86-D106 PolarHBondContact NH2-OD2 3.05Å; D106-R342 HydrophobicContact CB-CG 3.96Å; D106-R342 WeakPolarHBondContact O-CG 3.31Å; D106-G384 VanDerWaalsContact CG-N 3.35Å; D106-G384 VanDerWaalsContact OD1-CA 3.22Å; D106-G384 WeakPolarHBondContact OD1-CA 3.46Å; D106-G384 PolarHBondContact OD1-N 2.84Å; D106-G384 PolarHBondContact OD2-N 2.76Å; D106-R385 HydrophobicContact CB-CG 4Å; D106-R385 WeakPolarHBondContact O-CD 3.41Å
107	G	91.5	Very high	93.9	Very high	24 Å²	24	44.6 Å²	44.6	25%	0.247	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.5	-13.6	178.1	0	0	0	0	0	116.1	R104 I105	R104-G107 PolarHBondContact NH1-O 3.24Å; R104-G107 VanDerWaalsContact NH1-O 3.12Å; I105-G107 PolarHBondContact O-N 3.25Å
108	V	94.2	Very high	94.1	Very high	31 Å²	31	43.6 Å²	43.6	19%	0.188	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	141	-176.9	178.8	0	0	0	0	110.7	R104 I105 H110	R104-V108 CarbonylContact C-O 3.6Å; R104-V108 VanDerWaalsContact CA-O 3.3Å; R104-V108 WeakPolarHBondContact CA-O 3.35Å; I105-V108 PolarHBondContact N-O 3.46Å; I105-V108 PolarHBondContact O-N 2.91Å; V108-H110 PolarHBondContact O-CD2 3.18Å; V108-H110 VanDerWaalsContact O-CD2 3.25Å
109	L	95.7	Very high	94	Very high	48 Å²	48	43.1 Å²	43.1	25%	0.251	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	131.1	177.7	-75.9	169.1	0	0	0	111.2	H91 R102 L103 R104	H91-L109 WeakPolarHBondContact CD2-CD2 3.3Å; R102-L109 HydrophobicContact CB-CD2 4.09Å; L103-L109 CarbonylContact O-C 3.51Å; L103-L109 WeakPolarHBondContact O-CA 3.35Å; R104-L109 HydrophobicContact CB-CD2 3.93Å
110	H	94.5	Very high	93.9	Very high	24 Å²	24	42.6 Å²	42.6	11%	0.111	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	126.4	178.9	-62.5	-76.3	0	0	0	110.2	R102 L103 V108 Y379	R102-H110 CarbonylContact C-O 3.57Å; R102-H110 WeakPolarHBondContact CA-O 3.38Å; L103-H110 PolarHBondContact N-O 2.92Å; L103-H110 PolarHBondContact O-N 3.38Å; V108-H110 PolarHBondContact O-CD2 3.18Å; V108-H110 VanDerWaalsContact O-CD2 3.25Å; H110-Y379 HydrophobicContact CB-CE1 3.86Å; H110-Y379 WeakPolarHBondContact CB-OH 3.48Å; H110-Y379 AromaticContact CD2-CD1 3.85Å; H110-Y379 AromaticContact CD2-CE1 3.35Å; H110-Y379 WeakPolarHBondContact CD2-CE1 3.44Å; H110-Y379 AromaticContact CE1-CD1 3.93Å; H110-Y379 AromaticContact CE1-CE1 3.55Å; H110-Y379 AromaticContact CG-CE1 3.27Å; H110-Y379 AromaticContact CG-CZ 3.93Å; H110-Y379 AromaticContact ND1-CE1 3.44Å; H110-Y379 WeakPolarHBondContact ND1-CE1 3.22Å; H110-Y379 AromaticContact NE2-CD1 3.68Å; H110-Y379 AromaticContact NE2-CE1 3.53Å
111	P	94.2	Very high	93.8	Very high	94 Å²	94	41.3 Å²	41.3	61%	0.61	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	139.4	178.4	30.8	-33.7	0	0	0	111.1
112	L	91.9	Very high	93.6	Very high	37 Å²	37	42 Å²	42	19%	0.194	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-95.3	169.7	159.2	-61.9	-173.1	0	0	0	108.8	I101 L103 D114	I101-L112 HydrophobicContact CB-CB 4.23Å; I101-L112 HydrophobicContact CG2-CB 4.43Å; I101-L112 HydrophobicContact CG2-CD1 3.88Å; I101-L112 HydrophobicContact CG2-CG 4.43Å; I101-L112 PolarHBondContact O-N 3.43Å; L103-L112 HydrophobicContact CD1-CD1 3.97Å; L103-L112 HydrophobicContact CD1-CD2 4.04Å; L103-L112 HydrophobicContact CD1-CG 4.26Å; L103-L112 HydrophobicContact CD2-CD1 4.14Å; L103-L112 HydrophobicContact CG-CD1 3.86Å; L103-L112 HydrophobicContact CG-CD2 4.29Å; L103-L112 HydrophobicContact CG-CG 4.03Å; L112-D114 PolarHBondContact O-N 3.25Å
113	P	91.4	Very high	93.5	Very high	59 Å²	59	39.4 Å²	39.4	38%	0.383	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-54.1	138.4	170.5	-24.9	34.8	0	0	0	111.2	V62 V64	V62-P113 VanDerWaalsContact O-CG 3.27Å; V62-P113 WeakPolarHBondContact O-CG 3.48Å; V64-P113 HydrophobicContact CG2-CB 4.31Å; V64-P113 HydrophobicContact CG2-CG 4.43Å
114	D	93	Very high	93.4	Very high	85 Å²	85	39.5 Å²	39.5	46%	0.455	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-62.2	150.2	173.7	-67	-23.3	0	0	0	110.1	A98 Y99 R100 L112	A98-D114 HydrophobicContact CB-CB 4Å; Y99-D114 WeakPolarHBondContact O-CA 3.24Å; R100-D114 WeakPolarHBondContact CA-OD1 3.41Å; L112-D114 PolarHBondContact O-N 3.25Å
115	V	93.6	Very high	93.4	Very high	4 Å²	4	38 Å²	38	2%	0.024	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-112.6	155.5	174.9	-57.7	0	0	0	0	109.8	E66 L74 Y99 I101 A119 L123	E66-V115 WeakPolarHBondContact OE1-CB 3.14Å; L74-V115 HydrophobicContact CD2-CG1 4.42Å; Y99-V115 PolarHBondContact N-O 3.2Å; Y99-V115 PolarHBondContact O-N 3.47Å; I101-V115 HydrophobicContact CD1-CG1 3.76Å; I101-V115 HydrophobicContact CD1-CG2 4.17Å; I101-V115 HydrophobicContact CG1-CG1 4.5Å; I101-V115 HydrophobicContact CG1-CG2 4.43Å; V115-A119 HydrophobicContact CB-CB 4.12Å; V115-A119 HydrophobicContact CG2-CB 4.27Å; V115-L123 HydrophobicContact CG2-CD1 4.46Å
116	S	94.2	Very high	93.4	Very high	39 Å²	39	43.7 Å²	43.7	27%	0.273	26%	0.257	S	S	.	.			trans	-57.5	153.3	176.9	60.9	0	0	0	0	112.4	E66 D118 A119 G120	E66-S116 WeakPolarHBondContact OE1-CB 3.18Å; E66-S116 PolarHBondContact OE1-N 3.12Å; E66-S116 PolarHBondContact OE1-OG 3.41Å; E66-S116 WeakPolarHBondContact OE2-CB 3.39Å; E66-S116 PolarHBondContact OE2-N 2.59Å; E66-S116 VanDerWaalsContact OE2-N 3.16Å; S116-D118 VanDerWaalsContact C-N 3.26Å; S116-D118 PolarHBondContact O-N 3.44Å; S116-A119 WeakPolarHBondContact O-CB 3.47Å; S116-A119 PolarHBondContact O-N 2.88Å; S116-A119 VanDerWaalsContact O-N 3.11Å; S116-A119 WeakPolarHBondContact OG-CB 3.4Å; S116-A119 PolarHBondContact OG-N 2.9Å; S116-G120 PolarHBondContact O-N 3.31Å
117	P	92.6	Very high	93.6	Very high	59 Å²	59	43 Å²	43	38%	0.383	25%	0.252	S	S	.	.	H	α-helix	trans	-52.1	-43.3	174.4	-28.9	36.8	0	0	0	113.6	N97 A119 G120 V121	N97-P117 WeakPolarHBondContact O-CG 3.49Å; P117-A119 VanDerWaalsContact C-N 3.34Å; P117-A119 PolarHBondContact O-N 3.07Å; P117-G120 PolarHBondContact O-N 3.37Å; P117-V121 WeakPolarHBondContact O-CG2 3.37Å; P117-V121 PolarHBondContact O-N 3.31Å
118	D	92.2	Very high	93.9	Very high	125 Å²	125	41.9 Å²	41.9	67%	0.668	24%	0.241	S	C	*	.	H	α-helix	trans	-65.6	-35.7	179.4	-69.7	-16.5	0	0	0	112.6	S116 A122	S116-D118 VanDerWaalsContact C-N 3.26Å; S116-D118 PolarHBondContact O-N 3.44Å; D118-A122 VanDerWaalsContact O-CB 3.29Å; D118-A122 WeakPolarHBondContact O-CB 3.35Å; D118-A122 PolarHBondContact O-N 3.33Å; D118-A122 VanDerWaalsContact O-N 3.12Å
119	A	92.5	Very high	94	Very high	9 Å²	9	43.5 Å²	43.5	7%	0.074	25%	0.251	C	S	.	.	H	α-helix	trans	-68.8	-44.2	173.7	0	0	0	0	0	111.1	E66 L74 V115 S116 P117 A122 L123	E66-A119 WeakPolarHBondContact OE1-CB 3.24Å; L74-A119 HydrophobicContact CD2-CB 3.92Å; V115-A119 HydrophobicContact CB-CB 4.12Å; V115-A119 HydrophobicContact CG2-CB 4.27Å; S116-A119 WeakPolarHBondContact O-CB 3.47Å; S116-A119 PolarHBondContact O-N 2.88Å; S116-A119 VanDerWaalsContact O-N 3.11Å; S116-A119 WeakPolarHBondContact OG-CB 3.4Å; S116-A119 PolarHBondContact OG-N 2.9Å; P117-A119 VanDerWaalsContact C-N 3.34Å; P117-A119 PolarHBondContact O-N 3.07Å; A119-A122 WeakPolarHBondContact O-CB 3.48Å; A119-A122 PolarHBondContact O-N 2.9Å; A119-L123 VanDerWaalsContact O-CG 3.32Å; A119-L123 WeakPolarHBondContact O-CG 3.5Å; A119-L123 PolarHBondContact O-N 2.64Å
120	G	93.3	Very high	94	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-58.7	-48.1	176.6	0	0	0	0	0	113.2	S116 P117 A122 L123 T124	S116-G120 PolarHBondContact O-N 3.31Å; P117-G120 PolarHBondContact O-N 3.37Å; G120-A122 VanDerWaalsContact C-N 3.3Å; G120-A122 PolarHBondContact O-N 2.9Å; G120-L123 PolarHBondContact O-N 2.85Å; G120-T124 PolarHBondContact O-N 2.81Å; G120-T124 PolarHBondContact O-OG1 2.85Å
121	V	92.8	Very high	94	Very high	82 Å²	82	42.3 Å²	42.3	50%	0.497	25%	0.247	S	C	.	.	H	α-helix	trans	-60	-41.8	175.3	172.8	0	0	0	0	111.1	Y99 P117 T124 A125	Y99-V121 HydrophobicContact CE2-CG2 4.34Å; P117-V121 WeakPolarHBondContact O-CG2 3.37Å; P117-V121 PolarHBondContact O-N 3.31Å; V121-T124 PolarHBondContact O-N 3.23Å; V121-A125 WeakPolarHBondContact O-CB 3.38Å; V121-A125 PolarHBondContact O-N 2.69Å
122	A	92.8	Very high	94.1	Very high	19 Å²	19	45 Å²	45	16%	0.157	26%	0.256	C	S	.	.	H	α-helix	trans	-65.4	-40.3	177.3	0	0	0	0	0	113.4	K71 D118 A119 G120 A125 R126	K71-A122 HydrophobicContact CB-CB 4.17Å; K71-A122 HydrophobicContact CD-CB 3.51Å; K71-A122 HydrophobicContact CG-CB 3.9Å; D118-A122 VanDerWaalsContact O-CB 3.29Å; D118-A122 WeakPolarHBondContact O-CB 3.35Å; D118-A122 PolarHBondContact O-N 3.33Å; D118-A122 VanDerWaalsContact O-N 3.12Å; A119-A122 WeakPolarHBondContact O-CB 3.48Å; A119-A122 PolarHBondContact O-N 2.9Å; G120-A122 VanDerWaalsContact C-N 3.3Å; G120-A122 PolarHBondContact O-N 2.9Å; A122-A125 PolarHBondContact O-N 3.13Å; A122-R126 WeakPolarHBondContact O-CB 3.12Å; A122-R126 PolarHBondContact O-N 3.02Å
123	L	94.7	Very high	94.3	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.021	25%	0.252	C	S	.	.	H	α-helix	trans	-61.4	-48	175.2	-72.6	175.1	0	0	0	110.5	L74 L75 I92 I101 V115 A119 G120 A125 R126 L127	L74-L123 HydrophobicContact CB-CD2 4.47Å; L74-L123 HydrophobicContact CD2-CD1 3.98Å; L74-L123 HydrophobicContact CD2-CD2 4.21Å; L74-L123 HydrophobicContact CD2-CG 4.19Å; L74-L123 HydrophobicContact CG-CD1 4.39Å; L74-L123 HydrophobicContact CG-CD2 4.15Å; L75-L123 HydrophobicContact CB-CD2 3.61Å; L75-L123 HydrophobicContact CD1-CD2 4.14Å; L75-L123 HydrophobicContact CG-CD2 4.43Å; I92-L123 HydrophobicContact CD1-CB 4.44Å; I92-L123 HydrophobicContact CD1-CD1 4.46Å; I101-L123 HydrophobicContact CD1-CD1 4.1Å; V115-L123 HydrophobicContact CG2-CD1 4.46Å; A119-L123 VanDerWaalsContact O-CG 3.32Å; A119-L123 WeakPolarHBondContact O-CG 3.5Å; A119-L123 PolarHBondContact O-N 2.64Å; G120-L123 PolarHBondContact O-N 2.85Å; L123-A125 PolarHBondContact O-N 2.92Å; L123-R126 PolarHBondContact O-N 2.85Å; L123-L127 WeakPolarHBondContact O-CB 3.48Å; L123-L127 VanDerWaalsContact O-CG 3.29Å; L123-L127 WeakPolarHBondContact O-CG 3.42Å; L123-L127 PolarHBondContact O-N 3.46Å
124	T	94.9	Very high	94.6	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.018	26%	0.257	C	S	.	.	H	α-helix	trans	-57.8	-49.3	176.7	-63.4	0	0	0	0	111.5	G120 V121 R126 L127 K128 E168 V170	G120-T124 PolarHBondContact O-N 2.81Å; G120-T124 PolarHBondContact O-OG1 2.85Å; V121-T124 PolarHBondContact O-N 3.23Å; T124-R126 VanDerWaalsContact C-N 3.34Å; T124-R126 PolarHBondContact O-N 2.95Å; T124-L127 PolarHBondContact O-N 2.87Å; T124-K128 WeakPolarHBondContact O-CG 3.29Å; T124-K128 PolarHBondContact O-N 2.96Å; T124-E168 HydrophobicContact CG2-CB 4.03Å; T124-V170 HydrophobicContact CG2-CG2 3.76Å; T124-V170 WeakPolarHBondContact OG1-CG2 3.29Å
125	A	94.5	Very high	94.6	Very high	35 Å²	35	45.6 Å²	45.6	29%	0.289	26%	0.255	S	S	.	.	H	α-helix	trans	-59.8	-43.7	178.8	0	0	0	0	0	112	V121 A122 L123 K128 V129 I135	V121-A125 WeakPolarHBondContact O-CB 3.38Å; V121-A125 PolarHBondContact O-N 2.69Å; A122-A125 PolarHBondContact O-N 3.13Å; L123-A125 PolarHBondContact O-N 2.92Å; A125-K128 PolarHBondContact O-N 3.02Å; A125-V129 WeakPolarHBondContact O-CG2 3.4Å; A125-V129 PolarHBondContact O-N 2.77Å; A125-V129 VanDerWaalsContact O-N 3.09Å; A125-I135 HydrophobicContact CB-CG2 4.34Å
126	R	94.9	Very high	94.7	Very high	121 Å²	121	49.1 Å²	49.1	46%	0.457	29%	0.285	S	S	.	.	H	α-helix	trans	-65.6	-40.3	178.2	-178.2	57.8	176.3	167.6	0.7	112.2	L75 A122 L123 T124 K128 V129 L130	L75-R126 HydrophobicContact CD2-CB 4.14Å; L75-R126 HydrophobicContact CD2-CG 3.43Å; L75-R126 VanDerWaalsContact CD2-CG 3.43Å; A122-R126 WeakPolarHBondContact O-CB 3.12Å; A122-R126 PolarHBondContact O-N 3.02Å; L123-R126 PolarHBondContact O-N 2.85Å; T124-R126 VanDerWaalsContact C-N 3.34Å; T124-R126 PolarHBondContact O-N 2.95Å; R126-K128 VanDerWaalsContact C-N 3.34Å; R126-V129 WeakPolarHBondContact O-CB 3.49Å; R126-V129 PolarHBondContact O-N 3.45Å; R126-L130 WeakPolarHBondContact O-CG 3.45Å; R126-L130 PolarHBondContact O-N 2.86Å
127	L	96.9	Very high	94.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-65.7	-37.6	177	-77.3	170.9	0	0	0	111.9	L75 I92 L123 T124 L130 G131 F146 I159 V170 L172	L75-L127 HydrophobicContact CD1-CD1 4.25Å; L75-L127 HydrophobicContact CD1-CD2 3.79Å; L75-L127 HydrophobicContact CD1-CG 3.99Å; L75-L127 HydrophobicContact CD2-CD2 4.14Å; L75-L127 HydrophobicContact CD2-CG 4.3Å; I92-L127 HydrophobicContact CD1-CD1 3.57Å; L123-L127 WeakPolarHBondContact O-CB 3.48Å; L123-L127 VanDerWaalsContact O-CG 3.29Å; L123-L127 WeakPolarHBondContact O-CG 3.42Å; L123-L127 PolarHBondContact O-N 3.46Å; T124-L127 PolarHBondContact O-N 2.87Å; L127-L130 HydrophobicContact CD2-CD1 4.4Å; L127-L130 PolarHBondContact O-N 3.35Å; L127-G131 PolarHBondContact O-N 3.38Å; L127-F146 HydrophobicContact CD2-CE1 4.01Å; L127-F146 HydrophobicContact CD2-CZ 3.72Å; L127-I159 HydrophobicContact CB-CD1 3.67Å; L127-V170 HydrophobicContact CD1-CG1 3.91Å; L127-L172 HydrophobicContact CD1-CD1 4.06Å; L127-L172 HydrophobicContact CD1-CD2 4.33Å; L127-L172 HydrophobicContact CD1-CG 4.48Å; L127-L172 HydrophobicContact CD2-CD1 3.7Å; L127-L172 HydrophobicContact CD2-CD2 3.98Å; L127-L172 HydrophobicContact CD2-CG 4.45Å
128	K	97	Very high	94.7	Very high	1 Å²	1	50.5 Å²	50.5	0%	0.004	28%	0.282	C	S	.	.	H	α-helix	trans	-60.8	-43.3	171	-75.1	-174.2	172.7	179.1	0	112.3	T124 A125 R126 L130 G131 N132 L133 I135 E137 T161 E168	T124-K128 WeakPolarHBondContact O-CG 3.29Å; T124-K128 PolarHBondContact O-N 2.96Å; A125-K128 PolarHBondContact O-N 3.02Å; R126-K128 VanDerWaalsContact C-N 3.34Å; K128-L130 PolarHBondContact O-N 2.9Å; K128-G131 CarbonylContact O-C 3.55Å; K128-G131 PolarHBondContact O-N 2.61Å; K128-N132 PolarHBondContact O-N 3.18Å; K128-N132 VanDerWaalsContact O-N 3.11Å; K128-L133 HydrophobicContact CB-CB 3.93Å; K128-L133 HydrophobicContact CG-CB 3.96Å; K128-L133 HydrophobicContact CG-CD1 4.17Å; K128-L133 PolarHBondContact O-N 3.07Å; K128-I135 HydrophobicContact CB-CG1 4.21Å; K128-E137 PolarHBondContact NZ-O 3.33Å; K128-T161 HydrophobicContact CG-CG2 4.43Å; K128-E168 VanDerWaalsContact CE-OE2 3.3Å; K128-E168 WeakPolarHBondContact CE-OE2 3.37Å; K128-E168 IonicContact NZ-OE1 3.2Å; K128-E168 PolarHBondContact NZ-OE1 3.01Å; K128-E168 IonicContact NZ-OE2 3.55Å; K128-E168 PolarHBondContact NZ-OE2 3.29Å
129	V	96.1	Very high	94.8	Very high	65 Å²	65	53.9 Å²	53.9	39%	0.394	29%	0.285	S	S	.	.	H	α-helix	trans	-58.4	-48.1	174	176.9	0	0	0	0	111.1	A125 R126 G131 N132 I135	A125-V129 WeakPolarHBondContact O-CG2 3.4Å; A125-V129 PolarHBondContact O-N 2.77Å; A125-V129 VanDerWaalsContact O-N 3.09Å; R126-V129 WeakPolarHBondContact O-CB 3.49Å; R126-V129 PolarHBondContact O-N 3.45Å; V129-G131 VanDerWaalsContact C-N 3.32Å; V129-G131 PolarHBondContact O-N 2.71Å; V129-N132 PolarHBondContact O-N 2.92Å; V129-I135 HydrophobicContact CG2-CD1 3.47Å; V129-I135 VanDerWaalsContact CG2-CD1 3.47Å; V129-I135 HydrophobicContact CG2-CG1 4.15Å
130	L	95.4	Very high	94.9	Very high	42 Å²	42	58.2 Å²	58.2	22%	0.22	31%	0.306	C	S	.	.	H	α-helix	trans	-61.4	-42.3	-179.6	-70	172.7	0	0	0	111.6	L75 R126 L127 K128 N132 F146 V148	L75-L130 HydrophobicContact CD2-CD1 3.85Å; R126-L130 WeakPolarHBondContact O-CG 3.45Å; R126-L130 PolarHBondContact O-N 2.86Å; L127-L130 HydrophobicContact CD2-CD1 4.4Å; L127-L130 PolarHBondContact O-N 3.35Å; K128-L130 PolarHBondContact O-N 2.9Å; L130-N132 VanDerWaalsContact C-N 3.28Å; L130-N132 PolarHBondContact O-N 3.09Å; L130-F146 HydrophobicContact CB-CB 4.06Å; L130-F146 HydrophobicContact CB-CD1 4.07Å; L130-F146 HydrophobicContact CB-CD2 3.98Å; L130-F146 HydrophobicContact CB-CE1 4.49Å; L130-F146 HydrophobicContact CB-CE2 4.41Å; L130-F146 HydrophobicContact CB-CG 3.78Å; L130-F146 HydrophobicContact CD1-CD2 4.3Å; L130-F146 HydrophobicContact CD1-CE2 4.08Å; L130-F146 HydrophobicContact CD1-CZ 4.45Å; L130-F146 WeakPolarHBondContact O-CB 3.34Å; L130-V148 HydrophobicContact CD1-CG1 4.14Å; L130-V148 HydrophobicContact CD2-CG1 4.22Å
131	G	95.8	Very high	95.1	Very high	6 Å²	6	62.1 Å²	62.1	6%	0.062	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	3.8	179.2	0	0	0	0	0	115.8	L127 K128 V129 L133	L127-G131 PolarHBondContact O-N 3.38Å; K128-G131 CarbonylContact O-C 3.55Å; K128-G131 PolarHBondContact O-N 2.61Å; V129-G131 VanDerWaalsContact C-N 3.32Å; V129-G131 PolarHBondContact O-N 2.71Å; G131-L133 PolarHBondContact O-N 3.4Å
132	N	95.7	Very high	95.4	Very high	150 Å²	150	59.5 Å²	59.5	80%	0.802	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	38.1	-171.8	-62	-51.2	0	0	0	113.6	K128 V129 L130	K128-N132 PolarHBondContact O-N 3.18Å; K128-N132 VanDerWaalsContact O-N 3.11Å; V129-N132 PolarHBondContact O-N 2.92Å; L130-N132 VanDerWaalsContact C-N 3.28Å; L130-N132 PolarHBondContact O-N 3.09Å
133	L	96.8	Very high	95.5	Very high	21 Å²	21	64.7 Å²	64.7	11%	0.11	34%	0.339	C	S	.	.			trans	-90.5	160.2	178	-55	-175.8	0	0	0	111.1	K128 G131 I135 Q142 D143 I159 T161	K128-L133 HydrophobicContact CB-CB 3.93Å; K128-L133 HydrophobicContact CG-CB 3.96Å; K128-L133 HydrophobicContact CG-CD1 4.17Å; K128-L133 PolarHBondContact O-N 3.07Å; G131-L133 PolarHBondContact O-N 3.4Å; L133-I135 PolarHBondContact O-N 3.08Å; L133-I135 VanDerWaalsContact O-N 3.16Å; L133-Q142 HydrophobicContact CD1-CB 4.11Å; L133-Q142 HydrophobicContact CD2-CB 4.21Å; L133-D143 VanDerWaalsContact CD2-O 3.32Å; L133-D143 WeakPolarHBondContact CD2-O 3.45Å; L133-I159 HydrophobicContact CD1-CD1 4.03Å; L133-I159 HydrophobicContact CD1-CG1 4.24Å; L133-I159 HydrophobicContact CD1-CG2 4.14Å; L133-T161 HydrophobicContact CD1-CG2 3.89Å
134	D	96.7	Very high	95.5	Very high	90 Å²	90	65.6 Å²	65.6	48%	0.481	35%	0.349	S	S	.	.			trans	-73	109.5	174.6	-173.3	-14.8	0	0	0	109.9	A136 E137 Q142	D134-A136 VanDerWaalsContact C-N 3.27Å; D134-A136 PolarHBondContact O-N 3.45Å; D134-A136 WeakPolarHBondContact OD1-CB 3.2Å; D134-A136 PolarHBondContact OD1-N 3.01Å; D134-E137 HydrophobicContact CB-CB 3.89Å; D134-E137 PolarHBondContact O-N 3.35Å; D134-E137 PolarHBondContact OD1-N 2.76Å; D134-Q142 PolarHBondContact O-NE2 3.11Å
135	I	94.2	Very high	95.4	Very high	82 Å²	82	70.4 Å²	70.4	42%	0.421	37%	0.371	S	S	.	.	S	Bend	trans	-65.9	-32.4	-179	-52.4	165.9	0	0	0	111.1	A125 K128 V129 L133 H138	A125-I135 HydrophobicContact CB-CG2 4.34Å; K128-I135 HydrophobicContact CB-CG1 4.21Å; V129-I135 HydrophobicContact CG2-CD1 3.47Å; V129-I135 VanDerWaalsContact CG2-CD1 3.47Å; V129-I135 HydrophobicContact CG2-CG1 4.15Å; L133-I135 PolarHBondContact O-N 3.08Å; L133-I135 VanDerWaalsContact O-N 3.16Å; I135-H138 PolarHBondContact O-CE1 2.88Å; I135-H138 PolarHBondContact O-NE2 3.26Å
136	A	94.2	Very high	95.4	Very high	78 Å²	78	69.2 Å²	69.2	65%	0.645	36%	0.36	S	S	*	.	S	Bend	trans	-85.4	-19.6	-177	0	0	0	0	0	112.7	D134 H138	D134-A136 VanDerWaalsContact C-N 3.27Å; D134-A136 PolarHBondContact O-N 3.45Å; D134-A136 WeakPolarHBondContact OD1-CB 3.2Å; D134-A136 PolarHBondContact OD1-N 3.01Å; A136-H138 PolarHBondContact O-CD2 3.38Å
137	E	95.9	Very high	95.4	Very high	26 Å²	26	67.3 Å²	67.3	12%	0.121	36%	0.362	C	S	.	.			trans	-84.2	116.5	175.7	-173.7	52.9	-95.4	0	0	111.1	K128 D134 R139 L140 Q142	K128-E137 PolarHBondContact NZ-O 3.33Å; D134-E137 HydrophobicContact CB-CB 3.89Å; D134-E137 PolarHBondContact O-N 3.35Å; D134-E137 PolarHBondContact OD1-N 2.76Å; E137-R139 WeakPolarHBondContact OE1-CA 3.33Å; E137-R139 WeakPolarHBondContact OE1-CB 3.45Å; E137-R139 IonicContact OE1-CZ 3.58Å; E137-R139 PolarHBondContact OE1-N 2.98Å; E137-R139 IonicContact OE1-NE 2.68Å; E137-R139 PolarHBondContact OE1-NE 2.76Å; E137-R139 IonicContact OE1-NH2 3.29Å; E137-R139 IonicContact OE2-CZ 2.97Å; E137-R139 IonicContact OE2-NE 3.49Å; E137-R139 IonicContact OE2-NH2 2.77Å; E137-R139 PolarHBondContact OE2-NH2 2.81Å; E137-L140 HydrophobicContact CG-CB 4.14Å; E137-L140 HydrophobicContact CG-CD1 4.37Å; E137-L140 HydrophobicContact CG-CG 4.35Å; E137-Q142 PolarHBondContact O-NE2 3.11Å
138	H	92.5	Very high	95.2	Very high	102 Å²	102	68.5 Å²	68.5	47%	0.472	37%	0.369	S	S	.	.			trans	-121.1	1.8	-178.4	-57.6	-78.7	0	0	0	113	I135 A136 P163 E168	I135-H138 PolarHBondContact O-CE1 2.88Å; I135-H138 PolarHBondContact O-NE2 3.26Å; A136-H138 PolarHBondContact O-CD2 3.38Å; H138-P163 WeakPolarHBondContact O-CB 3.27Å; H138-P163 VanDerWaalsContact O-CG 3.32Å; H138-P163 WeakPolarHBondContact O-CG 3.28Å; H138-E168 HydrophobicContact CB-CG 4.5Å; H138-E168 IonicContact CE1-OE1 2.9Å; H138-E168 IonicContact CG-OE1 3.71Å; H138-E168 IonicContact ND1-OE1 2.8Å; H138-E168 PolarHBondContact ND1-OE1 3.15Å
139	R	92.8	Very high	94.9	Very high	196 Å²	196	75.9 Å²	75.9	74%	0.74	40%	0.403	S	S	*	.	S	Bend	trans	-108.8	-11.3	-170.6	-54.6	162.9	-66.2	-173.1	1.3	113	E137 P163	E137-R139 WeakPolarHBondContact OE1-CA 3.33Å; E137-R139 WeakPolarHBondContact OE1-CB 3.45Å; E137-R139 IonicContact OE1-CZ 3.58Å; E137-R139 PolarHBondContact OE1-N 2.98Å; E137-R139 IonicContact OE1-NE 2.68Å; E137-R139 PolarHBondContact OE1-NE 2.76Å; E137-R139 IonicContact OE1-NH2 3.29Å; E137-R139 IonicContact OE2-CZ 2.97Å; E137-R139 IonicContact OE2-NE 3.49Å; E137-R139 IonicContact OE2-NH2 2.77Å; E137-R139 PolarHBondContact OE2-NH2 2.81Å; R139-P163 VanDerWaalsContact C-CG 3.4Å
140	L	95.9	Very high	94.4	Very high	100 Å²	100	73.1 Å²	73.1	52%	0.524	39%	0.386	S	S	.	.	S	Bend	trans	-119	145.9	-179.3	-62.7	176.8	0	0	0	110.8	E137	E137-L140 HydrophobicContact CG-CB 4.14Å; E137-L140 HydrophobicContact CG-CD1 4.37Å; E137-L140 HydrophobicContact CG-CG 4.35Å
141	P	97.6	Very high	93.8	Very high	82 Å²	82	75.5 Å²	75.5	53%	0.532	41%	0.412	S	S	.	.			trans	-58.7	141.9	165	-17.2	29.5	0	0	0	110.6	T161 L162	P141-T161 VanDerWaalsContact CA-O 3.25Å; P141-T161 WeakPolarHBondContact CA-O 3.31Å; P141-L162 HydrophobicContact CB-CD1 4.3Å; P141-L162 HydrophobicContact CG-CD1 3.96Å
142	Q	97.9	Very high	93.3	Very high	26 Å²	26	77.8 Å²	77.8	12%	0.121	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	139.8	175.9	-53	-173.6	61.2	0	0	110.1	L133 D134 E137 A160 T161	L133-Q142 HydrophobicContact CD1-CB 4.11Å; L133-Q142 HydrophobicContact CD2-CB 4.21Å; D134-Q142 PolarHBondContact O-NE2 3.11Å; E137-Q142 PolarHBondContact O-NE2 3.11Å; Q142-A160 CarbonylContact O-C 3.56Å; Q142-A160 WeakPolarHBondContact O-CA 3.43Å; Q142-T161 WeakPolarHBondContact CB-OG1 3.5Å; Q142-T161 PolarHBondContact N-O 2.83Å; Q142-T161 VanDerWaalsContact N-O 3.15Å; Q142-T161 PolarHBondContact N-OG1 3.43Å; Q142-T161 PolarHBondContact O-N 2.92Å
143	D	95.3	Very high	92.8	Very high	129 Å²	129	75.7 Å²	75.7	69%	0.69	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.4	143.3	178.3	-63.8	-76.5	0	0	0	109.7	L133 I159 A160	L133-D143 VanDerWaalsContact CD2-O 3.32Å; L133-D143 WeakPolarHBondContact CD2-O 3.45Å; D143-I159 CarbonylContact C-O 3.53Å; D143-I159 WeakPolarHBondContact CA-O 3.4Å; D143-A160 WeakPolarHBondContact OD1-CB 3.38Å
144	G	94.1	Very high	92.4	Very high	22 Å²	22	77.2 Å²	77.2	23%	0.227	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	-176.3	178.1	0	0	0	0	0	112.4	I159	G144-I159 VanDerWaalsContact C-CG2 3.44Å; G144-I159 PolarHBondContact N-O 3.35Å; G144-I159 WeakPolarHBondContact O-CG2 3.47Å; G144-I159 PolarHBondContact O-N 3.36Å
145	Q	93.8	Very high	92.1	Very high	104 Å²	104	73.6 Å²	73.6	49%	0.486	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	146.9	175.3	175.6	174.3	-19.5	0	0	109.1	F157 L175	Q145-F157 VanDerWaalsContact CA-O 3.27Å; Q145-F157 WeakPolarHBondContact CA-O 3.38Å; Q145-F157 WeakPolarHBondContact CG-O 3.17Å; Q145-L175 HydrophobicContact CG-CD1 4.25Å
146	F	94.9	Very high	92	Very high	10 Å²	10	70.8 Å²	70.8	4%	0.044	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	161.1	173.2	66	-95.4	0	0	0	111.4	L127 L130 V148 S156 F157 I159 L172	L127-F146 HydrophobicContact CD2-CE1 4.01Å; L127-F146 HydrophobicContact CD2-CZ 3.72Å; L130-F146 HydrophobicContact CB-CB 4.06Å; L130-F146 HydrophobicContact CB-CD1 4.07Å; L130-F146 HydrophobicContact CB-CD2 3.98Å; L130-F146 HydrophobicContact CB-CE1 4.49Å; L130-F146 HydrophobicContact CB-CE2 4.41Å; L130-F146 HydrophobicContact CB-CG 3.78Å; L130-F146 HydrophobicContact CD1-CD2 4.3Å; L130-F146 HydrophobicContact CD1-CE2 4.08Å; L130-F146 HydrophobicContact CD1-CZ 4.45Å; L130-F146 WeakPolarHBondContact O-CB 3.34Å; F146-V148 HydrophobicContact CD2-CG1 3.86Å; F146-V148 HydrophobicContact CE2-CG1 3.93Å; F146-V148 HydrophobicContact CE2-CG2 4.2Å; F146-S156 CarbonylContact O-C 3.52Å; F146-S156 WeakPolarHBondContact O-CA 3.47Å; F146-F157 HydrophobicContact CD1-CB 4.4Å; F146-F157 HydrophobicContact CD2-CB 4.44Å; F146-F157 HydrophobicContact CD2-CD2 4.31Å; F146-F157 HydrophobicContact CE1-CB 3.93Å; F146-F157 HydrophobicContact CE2-CB 3.98Å; F146-F157 AromaticContact CE2-CD2 3.61Å; F146-F157 HydrophobicContact CE2-CD2 3.61Å; F146-F157 HydrophobicContact CE2-CE2 4.46Å; F146-F157 HydrophobicContact CE2-CG 4.08Å; F146-F157 HydrophobicContact CZ-CB 3.7Å; F146-F157 AromaticContact CZ-CD2 3.99Å; F146-F157 HydrophobicContact CZ-CD2 3.99Å; F146-F157 HydrophobicContact CZ-CG 4Å; F146-F157 PolarHBondContact N-O 3.42Å; F146-F157 PolarHBondContact O-N 3.45Å; F146-I159 HydrophobicContact CD1-CB 4.35Å; F146-I159 HydrophobicContact CD1-CG2 4.04Å; F146-I159 HydrophobicContact CE1-CB 4.08Å; F146-I159 HydrophobicContact CE1-CD1 4.42Å; F146-I159 HydrophobicContact CE1-CG2 4.26Å; F146-L172 HydrophobicContact CE1-CD2 3.89Å; F146-L172 HydrophobicContact CZ-CD1 4.37Å; F146-L172 HydrophobicContact CZ-CD2 4.15Å
147	T	93.4	Very high	92	Very high	81 Å²	81	67.3 Å²	67.3	50%	0.497	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	134.8	174.5	-54.5	0	0	0	0	108.7	A154 V155 S156	T147-A154 HydrophobicContact CG2-CB 4.07Å; T147-V155 CarbonylContact C-O 3.52Å; T147-V155 WeakPolarHBondContact CA-O 3.4Å; T147-S156 PolarHBondContact OG1-OG 3.16Å
148	V	92.4	Very high	91.9	Very high	25 Å²	25	68.9 Å²	68.9	15%	0.152	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	149	176.4	-74.1	0	0	0	0	109.8	L79 L130 F146 L150 V155 F157	L79-V148 HydrophobicContact CD1-CG2 4.16Å; L130-V148 HydrophobicContact CD1-CG1 4.14Å; L130-V148 HydrophobicContact CD2-CG1 4.22Å; F146-V148 HydrophobicContact CD2-CG1 3.86Å; F146-V148 HydrophobicContact CE2-CG1 3.93Å; F146-V148 HydrophobicContact CE2-CG2 4.2Å; V148-L150 HydrophobicContact CB-CG 4.48Å; V148-L150 HydrophobicContact CG2-CD1 3.68Å; V148-L150 HydrophobicContact CG2-CD2 4.47Å; V148-L150 HydrophobicContact CG2-CG 3.87Å; V148-V155 PolarHBondContact N-O 3.13Å; V148-V155 PolarHBondContact O-N 2.95Å; V148-F157 HydrophobicContact CG2-CD2 4.06Å; V148-F157 HydrophobicContact CG2-CE2 3.7Å
149	E	90.6	Very high	92.2	Very high	156 Å²	156	64.2 Å²	64.2	73%	0.729	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.9	117.9	172.5	-164.3	-176.2	159.1	0	0	109.6	N153	E149-N153 WeakPolarHBondContact CA-O 3.45Å
150	L	87.4	Confident	92.4	Very high	7 Å²	7	56.5 Å²	56.5	4%	0.037	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	118.8	-179.2	-64	171.1	0	0	0	108.6	T76 L79 Q80 L83 V148 G152 N153 V155 F157	T76-L150 HydrophobicContact CG2-CD2 4.34Å; L79-L150 HydrophobicContact CB-CD1 3.72Å; L79-L150 HydrophobicContact CB-CD2 4.2Å; L79-L150 HydrophobicContact CD1-CD1 4.38Å; Q80-L150 HydrophobicContact CG-CD2 4.06Å; L83-L150 HydrophobicContact CD1-CB 3.69Å; L83-L150 HydrophobicContact CD1-CD1 3.41Å; L83-L150 VanDerWaalsContact CD1-CD1 3.41Å; L83-L150 HydrophobicContact CD1-CG 4.18Å; L83-L150 HydrophobicContact CG-CD1 4.42Å; V148-L150 HydrophobicContact CB-CG 4.48Å; V148-L150 HydrophobicContact CG2-CD1 3.68Å; V148-L150 HydrophobicContact CG2-CD2 4.47Å; V148-L150 HydrophobicContact CG2-CG 3.87Å; L150-G152 PolarHBondContact O-N 2.84Å; L150-N153 PolarHBondContact N-O 3.36Å; L150-N153 PolarHBondContact O-N 3.42Å; L150-V155 HydrophobicContact CB-CG2 4.2Å; L150-V155 HydrophobicContact CD1-CB 4.24Å; L150-V155 HydrophobicContact CD1-CG2 4.4Å; L150-F157 HydrophobicContact CD1-CE2 4.13Å; L150-F157 HydrophobicContact CD1-CZ 4.33Å
151	A	82.4	Confident	92.5	Very high	92 Å²	92	52 Å²	52	76%	0.76	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	37.1	-176.3	0	0	0	0	0	113.8	N153	A151-N153 VanDerWaalsContact C-N 3.31Å; A151-N153 PolarHBondContact O-N 3.4Å
152	G	84.2	Confident	92.5	Very high	55 Å²	55	52.1 Å²	52.1	57%	0.567	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	-0.8	-179.9	0	0	0	0	0	115.3	L150	L150-G152 PolarHBondContact O-N 2.84Å
153	N	84.9	Confident	92.4	Very high	106 Å²	106	53 Å²	53	57%	0.567	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.3	137	177.2	-63.1	-49.4	0	0	0	110.7	E149 L150 A151 V155	E149-N153 WeakPolarHBondContact CA-O 3.45Å; L150-N153 PolarHBondContact N-O 3.36Å; L150-N153 PolarHBondContact O-N 3.42Å; A151-N153 VanDerWaalsContact C-N 3.31Å; A151-N153 PolarHBondContact O-N 3.4Å; N153-V155 HydrophobicContact CB-CG2 4.38Å; N153-V155 PolarHBondContact O-N 2.88Å
154	A	89.6	Confident	92.3	Very high	52 Å²	52	49.4 Å²	49.4	43%	0.43	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	113.5	171.6	0	0	0	0	0	109.7	T147 Q177	T147-A154 HydrophobicContact CG2-CB 4.07Å; A154-Q177 PolarHBondContact O-NE2 2.81Å; A154-Q177 PolarHBondContact O-OE1 3.03Å
155	V	90.7	Very high	92.1	Very high	15 Å²	15	59 Å²	59	9%	0.091	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123.5	-174.8	-175.4	0	0	0	0	109.8	L83 T147 V148 L150 N153 F157 L174	L83-V155 HydrophobicContact CD1-CG1 4.32Å; L83-V155 HydrophobicContact CD1-CG2 3.89Å; L83-V155 HydrophobicContact CD2-CG1 4.05Å; T147-V155 CarbonylContact C-O 3.52Å; T147-V155 WeakPolarHBondContact CA-O 3.4Å; V148-V155 PolarHBondContact N-O 3.13Å; V148-V155 PolarHBondContact O-N 2.95Å; L150-V155 HydrophobicContact CB-CG2 4.2Å; L150-V155 HydrophobicContact CD1-CB 4.24Å; L150-V155 HydrophobicContact CD1-CG2 4.4Å; N153-V155 HydrophobicContact CB-CG2 4.38Å; N153-V155 PolarHBondContact O-N 2.88Å; V155-F157 HydrophobicContact CB-CE2 4.07Å; V155-F157 HydrophobicContact CG1-CD2 4.21Å; V155-F157 HydrophobicContact CG1-CE2 3.44Å; V155-F157 VanDerWaalsContact CG1-CE2 3.44Å; V155-F157 HydrophobicContact CG1-CZ 3.65Å; V155-L174 HydrophobicContact CG1-CD1 3.18Å
156	S	92.2	Very high	91.8	Very high	23 Å²	23	57 Å²	57	16%	0.161	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	139.9	-178.5	-60.3	0	0	0	0	111.6	F146 T147 L175	F146-S156 CarbonylContact O-C 3.52Å; F146-S156 WeakPolarHBondContact O-CA 3.47Å; T147-S156 PolarHBondContact OG1-OG 3.16Å; S156-L175 WeakPolarHBondContact O-CB 3.35Å; S156-L175 PolarHBondContact O-N 2.71Å
157	F	94.6	Very high	91.7	Very high	4 Å²	4	57.8 Å²	57.8	2%	0.018	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	137.7	179.1	-66.3	-89.5	0	0	0	110.1	L79 I90 Q145 F146 V148 L150 V155 L172 R173 L174	L79-F157 HydrophobicContact CD2-CE1 4.42Å; L79-F157 HydrophobicContact CD2-CE2 4.47Å; L79-F157 HydrophobicContact CD2-CZ 4.13Å; I90-F157 HydrophobicContact CD1-CE1 4.28Å; Q145-F157 VanDerWaalsContact CA-O 3.27Å; Q145-F157 WeakPolarHBondContact CA-O 3.38Å; Q145-F157 WeakPolarHBondContact CG-O 3.17Å; F146-F157 HydrophobicContact CD1-CB 4.4Å; F146-F157 HydrophobicContact CD2-CB 4.44Å; F146-F157 HydrophobicContact CD2-CD2 4.31Å; F146-F157 HydrophobicContact CE1-CB 3.93Å; F146-F157 HydrophobicContact CE2-CB 3.98Å; F146-F157 AromaticContact CE2-CD2 3.61Å; F146-F157 HydrophobicContact CE2-CD2 3.61Å; F146-F157 HydrophobicContact CE2-CE2 4.46Å; F146-F157 HydrophobicContact CE2-CG 4.08Å; F146-F157 HydrophobicContact CZ-CB 3.7Å; F146-F157 AromaticContact CZ-CD2 3.99Å; F146-F157 HydrophobicContact CZ-CD2 3.99Å; F146-F157 HydrophobicContact CZ-CG 4Å; F146-F157 PolarHBondContact N-O 3.42Å; F146-F157 PolarHBondContact O-N 3.45Å; V148-F157 HydrophobicContact CG2-CD2 4.06Å; V148-F157 HydrophobicContact CG2-CE2 3.7Å; L150-F157 HydrophobicContact CD1-CE2 4.13Å; L150-F157 HydrophobicContact CD1-CZ 4.33Å; V155-F157 HydrophobicContact CB-CE2 4.07Å; V155-F157 HydrophobicContact CG1-CD2 4.21Å; V155-F157 HydrophobicContact CG1-CE2 3.44Å; V155-F157 VanDerWaalsContact CG1-CE2 3.44Å; V155-F157 HydrophobicContact CG1-CZ 3.65Å; F157-L172 HydrophobicContact CD1-CB 4.11Å; F157-R173 CarbonylContact C-O 3.56Å; F157-R173 VanDerWaalsContact CA-O 3.3Å; F157-R173 WeakPolarHBondContact CA-O 3.46Å; F157-L174 HydrophobicContact CD1-CB 4.37Å; F157-L174 HydrophobicContact CD1-CD1 4.16Å; F157-L174 HydrophobicContact CE1-CB 4.15Å; F157-L174 HydrophobicContact CE1-CD1 3.61Å; F157-L174 HydrophobicContact CE1-CG 4.5Å; F157-L174 HydrophobicContact CE2-CD1 4.39Å; F157-L174 HydrophobicContact CZ-CD1 3.75Å
158	R	93.6	Very high	91.8	Very high	60 Å²	60	54.5 Å²	54.5	23%	0.226	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	138.8	156.1	-67.9	-175.3	-174.2	139.3	25.1	108.4	L172 R173 L175 E244	R158-L172 CarbonylContact O-C 3.57Å; R158-L172 VanDerWaalsContact O-CA 3.28Å; R158-L172 WeakPolarHBondContact O-CA 3.4Å; R158-R173 HydrophobicContact CB-CB 4.42Å; R158-R173 PolarHBondContact N-O 3.33Å; R158-R173 PolarHBondContact O-N 3.17Å; R158-L175 HydrophobicContact CG-CD1 4.11Å; R158-L175 HydrophobicContact CG-CD2 3.87Å; R158-L175 HydrophobicContact CG-CG 4.11Å; R158-E244 IonicContact CZ-OE1 3.76Å; R158-E244 IonicContact CZ-OE2 3.93Å; R158-E244 IonicContact NH1-OE1 3.44Å; R158-E244 PolarHBondContact NH1-OE1 3.14Å; R158-E244 IonicContact NH1-OE2 3.75Å; R158-E244 PolarHBondContact NH1-OE2 2.87Å; R158-E244 VanDerWaalsContact NH2-CD 3.27Å; R158-E244 IonicContact NH2-OE1 2.71Å; R158-E244 PolarHBondContact NH2-OE1 2.86Å; R158-E244 IonicContact NH2-OE2 3.45Å; R158-E244 PolarHBondContact NH2-OE2 3.5Å
159	I	97.4	Very high	92.1	Very high	3 Å²	3	55.9 Å²	55.9	2%	0.015	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	134.2	175.6	177.7	169.8	0	0	0	109.2	L127 L133 D143 G144 F146 T161 V170 V171 L172	L127-I159 HydrophobicContact CB-CD1 3.67Å; L133-I159 HydrophobicContact CD1-CD1 4.03Å; L133-I159 HydrophobicContact CD1-CG1 4.24Å; L133-I159 HydrophobicContact CD1-CG2 4.14Å; D143-I159 CarbonylContact C-O 3.53Å; D143-I159 WeakPolarHBondContact CA-O 3.4Å; G144-I159 VanDerWaalsContact C-CG2 3.44Å; G144-I159 PolarHBondContact N-O 3.35Å; G144-I159 WeakPolarHBondContact O-CG2 3.47Å; G144-I159 PolarHBondContact O-N 3.36Å; F146-I159 HydrophobicContact CD1-CB 4.35Å; F146-I159 HydrophobicContact CD1-CG2 4.04Å; F146-I159 HydrophobicContact CE1-CB 4.08Å; F146-I159 HydrophobicContact CE1-CD1 4.42Å; F146-I159 HydrophobicContact CE1-CG2 4.26Å; I159-T161 HydrophobicContact CD1-CG2 4.28Å; I159-T161 HydrophobicContact CG1-CG2 4.23Å; I159-V170 HydrophobicContact CD1-CG1 3.89Å; I159-V170 HydrophobicContact CG1-CG1 3.88Å; I159-V171 WeakPolarHBondContact CA-O 3.27Å; I159-L172 HydrophobicContact CB-CD2 3.71Å; I159-L172 HydrophobicContact CD1-CD2 3.92Å; I159-L172 HydrophobicContact CG1-CD2 3.69Å
160	A	97.9	Very high	92.4	Very high	35 Å²	35	48.5 Å²	48.5	29%	0.289	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	129.8	168.7	0	0	0	0	0	109.2	Q142 D143 V170 V171	Q142-A160 CarbonylContact O-C 3.56Å; Q142-A160 WeakPolarHBondContact O-CA 3.43Å; D143-A160 WeakPolarHBondContact OD1-CB 3.38Å; A160-V170 WeakPolarHBondContact O-CA 3.38Å; A160-V171 PolarHBondContact N-O 3.32Å; A160-V171 PolarHBondContact O-N 3.28Å
161	T	97.9	Very high	92.9	Very high	4 Å²	4	49.7 Å²	49.7	3%	0.025	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	141.6	174.6	73.5	0	0	0	0	110.2	K128 L133 P141 Q142 I159 K169 V170	K128-T161 HydrophobicContact CG-CG2 4.43Å; L133-T161 HydrophobicContact CD1-CG2 3.89Å; P141-T161 VanDerWaalsContact CA-O 3.25Å; P141-T161 WeakPolarHBondContact CA-O 3.31Å; Q142-T161 WeakPolarHBondContact CB-OG1 3.5Å; Q142-T161 PolarHBondContact N-O 2.83Å; Q142-T161 VanDerWaalsContact N-O 3.15Å; Q142-T161 PolarHBondContact N-OG1 3.43Å; Q142-T161 PolarHBondContact O-N 2.92Å; I159-T161 HydrophobicContact CD1-CG2 4.28Å; I159-T161 HydrophobicContact CG1-CG2 4.23Å; T161-K169 CarbonylContact C-O 3.52Å; T161-K169 VanDerWaalsContact CA-O 3.28Å; T161-K169 WeakPolarHBondContact CA-O 3.14Å; T161-V170 HydrophobicContact CG2-CG1 4.45Å; T161-V170 HydrophobicContact CG2-CG2 4.07Å
162	L	97.7	Very high	93.7	Very high	85 Å²	85	45.3 Å²	45.3	45%	0.445	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	123.7	179.6	-175.5	70.2	0	0	0	110.2	P141 C164 K169	P141-L162 HydrophobicContact CB-CD1 4.3Å; P141-L162 HydrophobicContact CG-CD1 3.96Å; L162-C164 PolarHBondContact O-N 3.23Å; L162-K169 PolarHBondContact N-O 2.99Å; L162-K169 PolarHBondContact O-N 2.52Å
163	P	95.8	Very high	94.2	Very high	45 Å²	45	48.3 Å²	48.3	29%	0.292	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	129.4	171.7	-19.5	30.6	0	0	0	110.6	H138 R139	H138-P163 WeakPolarHBondContact O-CB 3.27Å; H138-P163 VanDerWaalsContact O-CG 3.32Å; H138-P163 WeakPolarHBondContact O-CG 3.28Å; R139-P163 VanDerWaalsContact C-CG 3.4Å
164	C	93.8	Very high	94.5	Very high	53 Å²	53	45 Å²	45	36%	0.358	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	167.7	-179.1	-74.6	0	0	0	0	110.1	P94 L162 G166 G167	P94-C164 HydrophobicContact CG-CB 3.74Å; L162-C164 PolarHBondContact O-N 3.23Å; C164-G166 PolarHBondContact O-N 3.44Å; C164-G167 CarbonylContact C-O 3.57Å; C164-G167 WeakPolarHBondContact CA-O 3.38Å; C164-G167 PolarHBondContact N-O 3.44Å; C164-G167 PolarHBondContact O-N 3.12Å
165	R	90.2	Very high	94.1	Very high	225 Å²	225	44 Å²	44	85%	0.849	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	127	168.5	-176.1	179	173.4	-175.8	-4.2	108.9
166	G	87.3	Confident	92.9	Very high	62 Å²	62	49.6 Å²	49.6	64%	0.639	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.3	-3.2	178.8	0	0	0	0	0	115.5	C164	C164-G166 PolarHBondContact O-N 3.44Å
167	G	92.3	Very high	91.2	Very high	26 Å²	26	55.1 Å²	55.1	27%	0.268	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	151.8	-157	176.1	0	0	0	0	0	113.4	C164	C164-G167 CarbonylContact C-O 3.57Å; C164-G167 WeakPolarHBondContact CA-O 3.38Å; C164-G167 PolarHBondContact N-O 3.44Å; C164-G167 PolarHBondContact O-N 3.12Å
168	E	95.6	Very high	89.1	Confident	12 Å²	12	57.8 Å²	57.8	6%	0.056	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	128.5	178.9	-72	-174.6	-82	0	0	111	T124 K128 H138	T124-E168 HydrophobicContact CG2-CB 4.03Å; K128-E168 VanDerWaalsContact CE-OE2 3.3Å; K128-E168 WeakPolarHBondContact CE-OE2 3.37Å; K128-E168 IonicContact NZ-OE1 3.2Å; K128-E168 PolarHBondContact NZ-OE1 3.01Å; K128-E168 IonicContact NZ-OE2 3.55Å; K128-E168 PolarHBondContact NZ-OE2 3.29Å; H138-E168 HydrophobicContact CB-CG 4.5Å; H138-E168 IonicContact CE1-OE1 2.9Å; H138-E168 IonicContact CG-OE1 3.71Å; H138-E168 IonicContact ND1-OE1 2.8Å; H138-E168 PolarHBondContact ND1-OE1 3.15Å
169	K	97.6	Very high	87.2	Confident	54 Å²	54	61 Å²	61	24%	0.235	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	134.7	168.8	170.1	168.2	177.2	165	0	109.3	I92 E93 T161 L162 V171	I92-K169 CarbonylContact O-C 3.57Å; I92-K169 WeakPolarHBondContact O-CA 3.4Å; E93-K169 HydrophobicContact CG-CD 3.91Å; E93-K169 HydrophobicContact CG-CG 3.97Å; E93-K169 VanDerWaalsContact OE1-CE 3.23Å; E93-K169 WeakPolarHBondContact OE1-CE 3.23Å; E93-K169 IonicContact OE1-NZ 2.92Å; E93-K169 PolarHBondContact OE1-NZ 3.16Å; T161-K169 CarbonylContact C-O 3.52Å; T161-K169 VanDerWaalsContact CA-O 3.28Å; T161-K169 WeakPolarHBondContact CA-O 3.14Å; L162-K169 PolarHBondContact N-O 2.99Å; L162-K169 PolarHBondContact O-N 2.52Å; K169-V171 HydrophobicContact CG-CG2 4.38Å
170	V	98.2	Very high	85.7	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	133.4	172.6	-175.1	0	0	0	0	109.2	I92 T124 L127 I159 A160 T161 L172	I92-V170 HydrophobicContact CB-CB 4.3Å; I92-V170 PolarHBondContact N-O 3.3Å; I92-V170 PolarHBondContact O-N 2.86Å; T124-V170 HydrophobicContact CG2-CG2 3.76Å; T124-V170 WeakPolarHBondContact OG1-CG2 3.29Å; L127-V170 HydrophobicContact CD1-CG1 3.91Å; I159-V170 HydrophobicContact CD1-CG1 3.89Å; I159-V170 HydrophobicContact CG1-CG1 3.88Å; A160-V170 WeakPolarHBondContact O-CA 3.38Å; T161-V170 HydrophobicContact CG2-CG1 4.45Å; T161-V170 HydrophobicContact CG2-CG2 4.07Å; V170-L172 HydrophobicContact CG1-CD2 3.95Å; V170-L172 HydrophobicContact CG1-CG 4.41Å
171	V	98.2	Very high	84.6	Confident	32 Å²	32	68.8 Å²	68.8	19%	0.194	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	125.2	169.4	-177.5	0	0	0	0	108.1	I90 I159 A160 K169	I90-V171 CarbonylContact O-C 3.5Å; I90-V171 WeakPolarHBondContact O-CA 3.34Å; I159-V171 WeakPolarHBondContact CA-O 3.27Å; A160-V171 PolarHBondContact N-O 3.32Å; A160-V171 PolarHBondContact O-N 3.28Å; K169-V171 HydrophobicContact CG-CG2 4.38Å
172	L	97.6	Very high	84.1	Confident	1 Å²	1	70.3 Å²	70.3	1%	0.005	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	129.6	169.7	-50.7	177.5	0	0	0	107.8	L79 D89 I90 L127 F146 F157 R158 I159 V170	L79-L172 HydrophobicContact CD2-CD1 3.76Å; D89-L172 CarbonylContact C-O 3.55Å; D89-L172 WeakPolarHBondContact CA-O 3.35Å; I90-L172 HydrophobicContact CB-CB 4.14Å; I90-L172 HydrophobicContact CB-CD1 4.38Å; I90-L172 HydrophobicContact CD1-CD1 4.22Å; I90-L172 PolarHBondContact N-O 3.49Å; I90-L172 PolarHBondContact O-N 2.87Å; L127-L172 HydrophobicContact CD1-CD1 4.06Å; L127-L172 HydrophobicContact CD1-CD2 4.33Å; L127-L172 HydrophobicContact CD1-CG 4.48Å; L127-L172 HydrophobicContact CD2-CD1 3.7Å; L127-L172 HydrophobicContact CD2-CD2 3.98Å; L127-L172 HydrophobicContact CD2-CG 4.45Å; F146-L172 HydrophobicContact CE1-CD2 3.89Å; F146-L172 HydrophobicContact CZ-CD1 4.37Å; F146-L172 HydrophobicContact CZ-CD2 4.15Å; F157-L172 HydrophobicContact CD1-CB 4.11Å; R158-L172 CarbonylContact O-C 3.57Å; R158-L172 VanDerWaalsContact O-CA 3.28Å; R158-L172 WeakPolarHBondContact O-CA 3.4Å; I159-L172 HydrophobicContact CB-CD2 3.71Å; I159-L172 HydrophobicContact CD1-CD2 3.92Å; I159-L172 HydrophobicContact CG1-CD2 3.69Å; V170-L172 HydrophobicContact CG1-CD2 3.95Å; V170-L172 HydrophobicContact CG1-CG 4.41Å
173	R	94.7	Very high	83.9	Confident	117 Å²	117	68.9 Å²	68.9	44%	0.442	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	123.2	168.6	177.6	168	-68.4	164.4	3.8	108.7	D89 F157 R158 L175	D89-R173 IonicContact OD1-CZ 3.58Å; D89-R173 IonicContact OD1-NE 3.58Å; D89-R173 PolarHBondContact OD1-NE 3.12Å; D89-R173 IonicContact OD1-NH2 2.76Å; D89-R173 PolarHBondContact OD1-NH2 2.71Å; F157-R173 CarbonylContact C-O 3.56Å; F157-R173 VanDerWaalsContact CA-O 3.3Å; F157-R173 WeakPolarHBondContact CA-O 3.46Å; R158-R173 HydrophobicContact CB-CB 4.42Å; R158-R173 PolarHBondContact N-O 3.33Å; R158-R173 PolarHBondContact O-N 3.17Å; R173-L175 PolarHBondContact O-N 3.14Å
174	L	91.2	Very high	83.9	Confident	38 Å²	38	67.4 Å²	67.4	20%	0.199	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	121.9	173.9	-177.7	66.6	0	0	0	108.9	L83 S88 V155 F157 Q176	L83-L174 HydrophobicContact CD2-CD1 3.87Å; L83-L174 HydrophobicContact CD2-CD2 3.79Å; S88-L174 PolarHBondContact O-N 3.2Å; V155-L174 HydrophobicContact CG1-CD1 3.18Å; F157-L174 HydrophobicContact CD1-CB 4.37Å; F157-L174 HydrophobicContact CD1-CD1 4.16Å; F157-L174 HydrophobicContact CE1-CB 4.15Å; F157-L174 HydrophobicContact CE1-CD1 3.61Å; F157-L174 HydrophobicContact CE1-CG 4.5Å; F157-L174 HydrophobicContact CE2-CD1 4.39Å; F157-L174 HydrophobicContact CZ-CD1 3.75Å; L174-Q176 PolarHBondContact O-N 3.42Å
175	L	81.8	Confident	83.9	Confident	30 Å²	30	70.1 Å²	70.1	16%	0.157	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	112.5	168.3	-66.9	176.3	0	0	0	107.3	Q145 S156 R158 R173 Q177	Q145-L175 HydrophobicContact CG-CD1 4.25Å; S156-L175 WeakPolarHBondContact O-CB 3.35Å; S156-L175 PolarHBondContact O-N 2.71Å; R158-L175 HydrophobicContact CG-CD1 4.11Å; R158-L175 HydrophobicContact CG-CD2 3.87Å; R158-L175 HydrophobicContact CG-CG 4.11Å; R173-L175 PolarHBondContact O-N 3.14Å; L175-Q177 PolarHBondContact O-N 2.78Å
176	Q	64.9	Low	84	Confident	132 Å²	132	63.5 Å²	63.5	62%	0.617	36%	0.362	S	S	*	.			trans	-66.5	117.3	179.1	-70.2	-174	-39.3	0	0	109.5	L174 V178	L174-Q176 PolarHBondContact O-N 3.42Å; Q176-V178 PolarHBondContact O-N 2.87Å
177	Q	56.2	Low	84.3	Confident	139 Å²	139	61.5 Å²	61.5	65%	0.65	34%	0.337	S	S	*	.			trans	-72.3	110.7	151.5	-73.5	179.3	-19.9	0	0	105.9	A154 L175 S179	A154-Q177 PolarHBondContact O-NE2 2.81Å; A154-Q177 PolarHBondContact O-OE1 3.03Å; L175-Q177 PolarHBondContact O-N 2.78Å; Q177-S179 PolarHBondContact O-N 3.44Å; Q177-S179 VanDerWaalsContact O-N 3.1Å
178	V	52	Low	84.3	Confident	61 Å²	61	61.9 Å²	61.9	37%	0.37	34%	0.341	S	S	.	.			trans	-61.9	116.4	-173.8	178.7	0	0	0	0	110.1	Q176 Q180 I245	Q176-V178 PolarHBondContact O-N 2.87Å; V178-Q180 HydrophobicContact CG1-CB 4.1Å; V178-Q180 VanDerWaalsContact CG1-N 3.3Å; V178-Q180 WeakPolarHBondContact CG1-O 3.39Å; V178-I245 HydrophobicContact CG2-CD1 3.26Å; V178-I245 HydrophobicContact CG2-CG1 3.69Å; V178-I245 HydrophobicContact CG2-CG2 4.42Å
179	S	53.9	Low	84.3	Confident	127 Å²	127	62.2 Å²	62.2	89%	0.888	34%	0.343	S	S	*	.			trans	-93.5	-5.3	158.9	55.9	0	0	0	0	112.3	Q177	Q177-S179 PolarHBondContact O-N 3.44Å; Q177-S179 VanDerWaalsContact O-N 3.1Å
180	Q	64.6	Low	84.2	Confident	127 Å²	127	62.6 Å²	62.6	59%	0.593	35%	0.345	S	S	*	.	S	Bend	trans	-93.4	121.2	-174.2	-151.7	167.4	10.9	0	0	110.8	V178 L182	V178-Q180 HydrophobicContact CG1-CB 4.1Å; V178-Q180 VanDerWaalsContact CG1-N 3.3Å; V178-Q180 WeakPolarHBondContact CG1-O 3.39Å; Q180-L182 PolarHBondContact O-N 3.22Å
181	A	76	Confident	84.1	Confident	74 Å²	74	67.5 Å²	67.5	61%	0.612	38%	0.378	S	S	*	.			trans	-58.2	126.8	176	0	0	0	0	0	110.4	D183	A181-D183 PolarHBondContact O-N 2.93Å
182	L	87.3	Confident	83.9	Confident	36 Å²	36	70.9 Å²	70.9	19%	0.188	39%	0.394	C	S	.	.			trans	-75.7	79	173.2	-66	174.7	0	0	0	109	Q180 Q227 I247	Q180-L182 PolarHBondContact O-N 3.22Å; L182-Q227 HydrophobicContact CB-CB 4.16Å; L182-Q227 HydrophobicContact CB-CG 4.29Å; L182-I247 HydrophobicContact CD1-CD1 4.05Å; L182-I247 HydrophobicContact CD1-CG1 4.48Å
183	D	92.7	Very high	84	Confident	56 Å²	56	71.6 Å²	71.6	30%	0.299	40%	0.397	S	S	.	.			trans	-129.7	122.6	-177.9	178.5	5.1	0	0	0	110.6	A181 N185 T186 S224	A181-D183 PolarHBondContact O-N 2.93Å; D183-N185 PolarHBondContact O-N 3.49Å; D183-N185 WeakPolarHBondContact OD1-CB 3.35Å; D183-N185 PolarHBondContact OD1-N 3.18Å; D183-N185 PolarHBondContact OD1-ND2 3.15Å; D183-T186 HydrophobicContact CB-CG2 4.08Å; D183-T186 PolarHBondContact O-N 3.44Å; D183-T186 PolarHBondContact O-OG1 3.46Å; D183-S224 PolarHBondContact N-OG 2.94Å
184	V	95.1	Very high	84.1	Confident	13 Å²	13	67.8 Å²	67.8	8%	0.079	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-58.3	-31.6	178.9	-65.5	0	0	0	0	112.6	T186 L187 L194 F197 S224 T228	V184-T186 PolarHBondContact O-N 2.8Å; V184-L187 HydrophobicContact CB-CD1 4.32Å; V184-L187 HydrophobicContact CG1-CD1 4.38Å; V184-L187 PolarHBondContact O-N 3.34Å; V184-L194 HydrophobicContact CB-CD1 4.39Å; V184-L194 HydrophobicContact CG2-CD1 4.44Å; V184-F197 HydrophobicContact CB-CE1 4.49Å; V184-F197 HydrophobicContact CG1-CD1 4.47Å; V184-F197 HydrophobicContact CG1-CE1 3.93Å; V184-S224 WeakPolarHBondContact CG1-O 3.25Å; V184-T228 WeakPolarHBondContact CG1-OG1 3.41Å
185	N	94.4	Very high	84.4	Confident	111 Å²	111	68.6 Å²	68.6	59%	0.594	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-69.8	-18.9	-179.7	-58.8	-71.3	0	0	0	112.6	D183	D183-N185 PolarHBondContact O-N 3.49Å; D183-N185 WeakPolarHBondContact OD1-CB 3.35Å; D183-N185 PolarHBondContact OD1-N 3.18Å; D183-N185 PolarHBondContact OD1-ND2 3.15Å
186	T	92	Very high	85.2	Confident	86 Å²	86	69.1 Å²	69.1	53%	0.528	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-100.4	-0.5	-177.8	69.9	0	0	0	0	113.6	D183 V184 G188	D183-T186 HydrophobicContact CB-CG2 4.08Å; D183-T186 PolarHBondContact O-N 3.44Å; D183-T186 PolarHBondContact O-OG1 3.46Å; V184-T186 PolarHBondContact O-N 2.8Å; T186-G188 VanDerWaalsContact C-N 3.25Å; T186-G188 PolarHBondContact O-N 2.71Å
187	L	93.5	Very high	86.8	Confident	19 Å²	19	62.9 Å²	62.9	10%	0.099	37%	0.371	C	S	.	.	S	Bend	trans	-67.5	-23.8	-177.1	-70.1	175.9	0	0	0	113.5	V184 M189 F197 V220 T221 F389	V184-L187 HydrophobicContact CB-CD1 4.32Å; V184-L187 HydrophobicContact CG1-CD1 4.38Å; V184-L187 PolarHBondContact O-N 3.34Å; L187-M189 HydrophobicContact CD1-CE 4.39Å; L187-F197 HydrophobicContact CD1-CE1 4.26Å; L187-V220 HydrophobicContact CD2-CG1 4.08Å; L187-T221 HydrophobicContact CD1-CG2 4.08Å; L187-F389 HydrophobicContact CB-CE2 4.32Å; L187-F389 HydrophobicContact CB-CZ 3.95Å; L187-F389 WeakPolarHBondContact O-CE2 3.25Å
188	G	92.6	Very high	88.8	Confident	35 Å²	35	58.2 Å²	58.2	36%	0.361	36%	0.356	S	S	.	.			trans	95.4	15.7	-177	0	0	0	0	0	114.6	T186	T186-G188 VanDerWaalsContact C-N 3.25Å; T186-G188 PolarHBondContact O-N 2.71Å
189	M	96.3	Very high	90.9	Very high	19 Å²	19	60.6 Å²	60.6	9%	0.094	36%	0.363	C	S	.	.			trans	-64.6	142	170.6	-72.2	-176.6	-179.9	0	0	111	L187 Q193 L194 F197 T221 I336 F389	L187-M189 HydrophobicContact CD1-CE 4.39Å; M189-Q193 HydrophobicContact CB-CB 4.02Å; M189-Q193 HydrophobicContact CG-CB 4.39Å; M189-L194 HydrophobicContact CB-CB 4.03Å; M189-L194 HydrophobicContact SD-CD1 4.48Å; M189-F197 HydrophobicContact CE-CB 4.31Å; M189-F197 HydrophobicContact CE-CD1 3.55Å; M189-F197 HydrophobicContact CE-CE1 3.91Å; M189-F197 HydrophobicContact CE-CG 3.99Å; M189-F197 HydrophobicContact SD-CB 3.9Å; M189-F197 HydrophobicContact SD-CD1 3.67Å; M189-F197 HydrophobicContact SD-CG 4.1Å; M189-T221 HydrophobicContact CE-CG2 4.38Å; M189-I336 HydrophobicContact CE-CD1 3.94Å; M189-F389 HydrophobicContact CB-CD2 4.39Å; M189-F389 HydrophobicContact CE-CD1 3.75Å; M189-F389 HydrophobicContact CE-CE1 3.69Å; M189-F389 HydrophobicContact CE-CG 4.31Å; M189-F389 HydrophobicContact CE-CZ 4.22Å; M189-F389 HydrophobicContact CG-CB 4.5Å; M189-F389 HydrophobicContact CG-CD1 4.2Å; M189-F389 HydrophobicContact CG-CD2 3.61Å; M189-F389 HydrophobicContact CG-CE1 4.31Å; M189-F389 HydrophobicContact CG-CE2 3.75Å; M189-F389 HydrophobicContact CG-CG 3.85Å; M189-F389 HydrophobicContact CG-CZ 4.11Å
190	Q	95	Very high	93	Very high	61 Å²	61	54.7 Å²	54.7	29%	0.285	32%	0.322	S	S	.	.			trans	-66.5	157.2	169.3	-60.6	-55	-55.1	0	0	110.4	L192 Q193 L194	Q190-L192 VanDerWaalsContact C-N 3.3Å; Q190-L192 PolarHBondContact O-N 3.22Å; Q190-L192 VanDerWaalsContact O-N 3.15Å; Q190-Q193 HydrophobicContact CB-CG 4.17Å; Q190-Q193 WeakPolarHBondContact O-CA 3.43Å; Q190-Q193 WeakPolarHBondContact O-CB 3.24Å; Q190-Q193 PolarHBondContact O-N 3.42Å; Q190-L194 PolarHBondContact O-N 3.23Å
191	P	95.3	Very high	94.6	Very high	104 Å²	104	49 Å²	49	68%	0.675	30%	0.296	S	S	*	.	H	α-helix	trans	-52.4	-42.2	-174.8	-30.2	36.1	0	0	0	114.8	A195	P191-A195 WeakPolarHBondContact O-CB 3.32Å; P191-A195 PolarHBondContact O-N 3.32Å
192	L	95.5	Very high	95.6	Very high	103 Å²	103	52.6 Å²	52.6	54%	0.539	30%	0.3	S	S	.	.	H	α-helix	trans	-65.5	-44.9	176.3	-179.4	61.7	0	0	0	111.9	Q190 L194 A195 D196	Q190-L192 VanDerWaalsContact C-N 3.3Å; Q190-L192 PolarHBondContact O-N 3.22Å; Q190-L192 VanDerWaalsContact O-N 3.15Å; L192-L194 VanDerWaalsContact C-N 3.33Å; L192-L194 PolarHBondContact O-N 3.44Å; L192-A195 WeakPolarHBondContact O-CB 3.36Å; L192-A195 PolarHBondContact O-N 3.22Å; L192-D196 PolarHBondContact O-N 2.89Å
193	Q	97.9	Very high	96.1	Very high	15 Å²	15	53.8 Å²	53.8	7%	0.07	30%	0.304	C	S	.	.	H	α-helix	trans	-61.9	-41.8	178.8	-64.1	176.8	-28.6	0	0	111.8	M189 Q190 A195 D196 F197 F389 V391 N426	M189-Q193 HydrophobicContact CB-CB 4.02Å; M189-Q193 HydrophobicContact CG-CB 4.39Å; Q190-Q193 HydrophobicContact CB-CG 4.17Å; Q190-Q193 WeakPolarHBondContact O-CA 3.43Å; Q190-Q193 WeakPolarHBondContact O-CB 3.24Å; Q190-Q193 PolarHBondContact O-N 3.42Å; Q193-A195 VanDerWaalsContact C-N 3.35Å; Q193-D196 PolarHBondContact O-N 2.63Å; Q193-F197 WeakPolarHBondContact O-CB 3.36Å; Q193-F197 PolarHBondContact O-N 2.96Å; Q193-F389 PolarHBondContact NE2-O 3.4Å; Q193-V391 HydrophobicContact CB-CB 4.32Å; Q193-V391 HydrophobicContact CB-CG2 3.79Å; Q193-V391 HydrophobicContact CG-CB 4.13Å; Q193-V391 HydrophobicContact CG-CG2 3.83Å; Q193-N426 PolarHBondContact NE2-ND2 2.89Å; Q193-N426 PolarHBondContact NE2-OD1 2.84Å
194	L	97.7	Very high	96.2	Very high	38 Å²	38	56.2 Å²	56.2	20%	0.199	32%	0.323	C	S	.	.	H	α-helix	trans	-65.6	-39.9	176.3	-178.5	61.4	0	0	0	111.1	V184 M189 Q190 L192 F197 A198	V184-L194 HydrophobicContact CB-CD1 4.39Å; V184-L194 HydrophobicContact CG2-CD1 4.44Å; M189-L194 HydrophobicContact CB-CB 4.03Å; M189-L194 HydrophobicContact SD-CD1 4.48Å; Q190-L194 PolarHBondContact O-N 3.23Å; L192-L194 VanDerWaalsContact C-N 3.33Å; L192-L194 PolarHBondContact O-N 3.44Å; L194-F197 PolarHBondContact O-N 3.2Å; L194-A198 VanDerWaalsContact O-CB 3.28Å; L194-A198 WeakPolarHBondContact O-CB 3.24Å; L194-A198 PolarHBondContact O-N 3.41Å
195	A	97.5	Very high	96.3	Very high	54 Å²	54	59.4 Å²	59.4	45%	0.446	34%	0.337	S	S	.	.	H	α-helix	trans	-64.6	-45.4	176	0	0	0	0	0	111.9	P191 L192 Q193 F197 A198 H199	P191-A195 WeakPolarHBondContact O-CB 3.32Å; P191-A195 PolarHBondContact O-N 3.32Å; L192-A195 WeakPolarHBondContact O-CB 3.36Å; L192-A195 PolarHBondContact O-N 3.22Å; Q193-A195 VanDerWaalsContact C-N 3.35Å; A195-F197 VanDerWaalsContact C-N 3.31Å; A195-F197 PolarHBondContact O-N 3.37Å; A195-A198 PolarHBondContact O-N 3.06Å; A195-H199 VanDerWaalsContact O-CB 3.24Å; A195-H199 WeakPolarHBondContact O-CB 3.15Å; A195-H199 PolarHBondContact O-N 2.92Å
196	D	97.9	Very high	96.5	Very high	41 Å²	41	54.3 Å²	54.3	22%	0.219	31%	0.31	C	S	.	.	H	α-helix	trans	-61.5	-41	175.6	-70.2	-30.6	0	0	0	111.5	L192 Q193 H199 A200 L334 V391	L192-D196 PolarHBondContact O-N 2.89Å; Q193-D196 PolarHBondContact O-N 2.63Å; D196-H199 PolarHBondContact O-N 2.79Å; D196-A200 WeakPolarHBondContact O-CB 3.41Å; D196-A200 PolarHBondContact O-N 2.95Å; D196-L334 HydrophobicContact CB-CD1 4.25Å; D196-V391 HydrophobicContact CB-CG1 4.13Å
197	F	98.4	Very high	96.8	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.009	29%	0.285	C	S	.	.	H	α-helix	trans	-66.6	-49.2	177.3	-172.5	-143.3	0	0	0	112.1	V184 L187 M189 Q193 L194 A195 H199 A200 L201 V208 T221 A225 L334 I336	V184-F197 HydrophobicContact CB-CE1 4.49Å; V184-F197 HydrophobicContact CG1-CD1 4.47Å; V184-F197 HydrophobicContact CG1-CE1 3.93Å; L187-F197 HydrophobicContact CD1-CE1 4.26Å; M189-F197 HydrophobicContact CE-CB 4.31Å; M189-F197 HydrophobicContact CE-CD1 3.55Å; M189-F197 HydrophobicContact CE-CE1 3.91Å; M189-F197 HydrophobicContact CE-CG 3.99Å; M189-F197 HydrophobicContact SD-CB 3.9Å; M189-F197 HydrophobicContact SD-CD1 3.67Å; M189-F197 HydrophobicContact SD-CG 4.1Å; Q193-F197 WeakPolarHBondContact O-CB 3.36Å; Q193-F197 PolarHBondContact O-N 2.96Å; L194-F197 PolarHBondContact O-N 3.2Å; A195-F197 VanDerWaalsContact C-N 3.31Å; A195-F197 PolarHBondContact O-N 3.37Å; F197-H199 VanDerWaalsContact C-N 3.28Å; F197-H199 PolarHBondContact O-N 2.7Å; F197-A200 PolarHBondContact O-N 3.43Å; F197-A200 VanDerWaalsContact O-N 3.15Å; F197-L201 HydrophobicContact CD1-CD1 4.44Å; F197-L201 HydrophobicContact CD2-CD1 4.39Å; F197-L201 HydrophobicContact CD2-CG 4.22Å; F197-L201 HydrophobicContact CE1-CD1 4.22Å; F197-L201 HydrophobicContact CE2-CD1 4.17Å; F197-L201 HydrophobicContact CE2-CD2 4.01Å; F197-L201 HydrophobicContact CE2-CG 4.11Å; F197-L201 HydrophobicContact CZ-CD1 4.11Å; F197-L201 HydrophobicContact CZ-CD2 4.47Å; F197-L201 WeakPolarHBondContact O-CG 3.26Å; F197-L201 PolarHBondContact O-N 3.12Å; F197-V208 HydrophobicContact CE2-CG1 4.2Å; F197-T221 HydrophobicContact CE1-CG2 4.23Å; F197-T221 HydrophobicContact CZ-CG2 4.01Å; F197-A225 HydrophobicContact CE1-CB 4.41Å; F197-A225 HydrophobicContact CE2-CB 4.47Å; F197-A225 HydrophobicContact CZ-CB 3.75Å; F197-L334 HydrophobicContact CB-CD2 4.23Å; F197-L334 HydrophobicContact CD2-CD2 3.66Å; F197-L334 HydrophobicContact CG-CD2 4.41Å; F197-I336 HydrophobicContact CD2-CD1 3.68Å; F197-I336 HydrophobicContact CE2-CD1 3.8Å; F197-I336 HydrophobicContact CG-CD1 4.19Å; F197-I336 HydrophobicContact CZ-CD1 4.38Å
198	A	98	Very high	97.1	Very high	40 Å²	40	49.3 Å²	49.3	33%	0.331	28%	0.28	S	S	.	.	H	α-helix	trans	-59	-40.9	176.3	0	0	0	0	0	111.7	L194 A195 L201 Q202	L194-A198 VanDerWaalsContact O-CB 3.28Å; L194-A198 WeakPolarHBondContact O-CB 3.24Å; L194-A198 PolarHBondContact O-N 3.41Å; A195-A198 PolarHBondContact O-N 3.06Å; A198-L201 PolarHBondContact O-N 3.11Å; A198-Q202 WeakPolarHBondContact O-CG 3.34Å; A198-Q202 PolarHBondContact O-N 2.91Å; A198-Q202 VanDerWaalsContact O-N 3.17Å
199	H	97.9	Very high	97.3	Very high	112 Å²	112	47.6 Å²	47.6	52%	0.519	26%	0.263	S	S	.	.	H	α-helix	trans	-63.2	-40.9	176.1	-178.4	68.4	0	0	0	112.5	A195 D196 F197 Q202 Q203	A195-H199 VanDerWaalsContact O-CB 3.24Å; A195-H199 WeakPolarHBondContact O-CB 3.15Å; A195-H199 PolarHBondContact O-N 2.92Å; D196-H199 PolarHBondContact O-N 2.79Å; F197-H199 VanDerWaalsContact C-N 3.28Å; F197-H199 PolarHBondContact O-N 2.7Å; H199-Q202 PolarHBondContact O-N 3.36Å; H199-Q203 PolarHBondContact CE1-NE2 3.34Å; H199-Q203 VanDerWaalsContact CE1-NE2 3.31Å; H199-Q203 PolarHBondContact NE2-NE2 2.75Å; H199-Q203 PolarHBondContact O-NE2 3.13Å
200	A	98.2	Very high	97.5	Very high	2 Å²	2	46.7 Å²	46.7	2%	0.017	26%	0.259	C	S	.	.	H	α-helix	trans	-65.5	-37.7	176.6	0	0	0	0	0	112.4	D196 F197 Q202 Q203 V208 T333 L334	D196-A200 WeakPolarHBondContact O-CB 3.41Å; D196-A200 PolarHBondContact O-N 2.95Å; F197-A200 PolarHBondContact O-N 3.43Å; F197-A200 VanDerWaalsContact O-N 3.15Å; A200-Q202 VanDerWaalsContact C-N 3.28Å; A200-Q202 PolarHBondContact O-N 3.42Å; A200-Q203 PolarHBondContact O-N 2.83Å; A200-V208 HydrophobicContact CB-CG2 3.98Å; A200-T333 HydrophobicContact CB-CG2 3.86Å; A200-L334 HydrophobicContact CB-CB 3.84Å; A200-L334 HydrophobicContact CB-CD2 3.85Å; A200-L334 HydrophobicContact CB-CG 4.37Å
201	L	98.1	Very high	97.6	Very high	9 Å²	9	43.8 Å²	43.8	5%	0.047	25%	0.245	C	C	.	.	H	α-helix	trans	-70	-23.7	177.1	-64.1	-180	0	0	0	113.1	F197 A198 Q203 A225 L229 L301 L303	F197-L201 HydrophobicContact CD1-CD1 4.44Å; F197-L201 HydrophobicContact CD2-CD1 4.39Å; F197-L201 HydrophobicContact CD2-CG 4.22Å; F197-L201 HydrophobicContact CE1-CD1 4.22Å; F197-L201 HydrophobicContact CE2-CD1 4.17Å; F197-L201 HydrophobicContact CE2-CD2 4.01Å; F197-L201 HydrophobicContact CE2-CG 4.11Å; F197-L201 HydrophobicContact CZ-CD1 4.11Å; F197-L201 HydrophobicContact CZ-CD2 4.47Å; F197-L201 WeakPolarHBondContact O-CG 3.26Å; F197-L201 PolarHBondContact O-N 3.12Å; A198-L201 PolarHBondContact O-N 3.11Å; L201-Q203 VanDerWaalsContact C-N 3.31Å; L201-A225 HydrophobicContact CD1-CB 3.79Å; L201-A225 HydrophobicContact CD2-CB 3.82Å; L201-A225 HydrophobicContact CG-CB 4.48Å; L201-L229 HydrophobicContact CB-CD2 4.32Å; L201-L229 HydrophobicContact CD2-CD1 4.24Å; L201-L229 WeakPolarHBondContact O-CD2 3.24Å; L201-L301 WeakPolarHBondContact O-CD2 3.36Å; L201-L303 HydrophobicContact CD2-CD1 4.45Å; L201-L303 HydrophobicContact CD2-CD2 3.96Å
202	Q	96.6	Very high	97.7	Very high	149 Å²	149	38.9 Å²	38.9	70%	0.696	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-4.3	176.4	-71.3	172.4	-5.4	0	0	113.6	A198 H199 A200	A198-Q202 WeakPolarHBondContact O-CG 3.34Å; A198-Q202 PolarHBondContact O-N 2.91Å; A198-Q202 VanDerWaalsContact O-N 3.17Å; H199-Q202 PolarHBondContact O-N 3.36Å; A200-Q202 VanDerWaalsContact C-N 3.28Å; A200-Q202 PolarHBondContact O-N 3.42Å
203	Q	97.2	Very high	97.7	Very high	61 Å²	61	36.1 Å²	36.1	29%	0.285	20%	0.201	S	C	.	.	S	Bend	trans	-72.9	137.8	178.6	-61.2	-53.7	-60.2	0	0	110.4	H199 A200 L201 Q205 T333	H199-Q203 PolarHBondContact CE1-NE2 3.34Å; H199-Q203 VanDerWaalsContact CE1-NE2 3.31Å; H199-Q203 PolarHBondContact NE2-NE2 2.75Å; H199-Q203 PolarHBondContact O-NE2 3.13Å; A200-Q203 PolarHBondContact O-N 2.83Å; L201-Q203 VanDerWaalsContact C-N 3.31Å; Q203-Q205 PolarHBondContact O-N 2.79Å; Q203-T333 HydrophobicContact CG-CG2 4.03Å
204	P	95.6	Very high	97.3	Very high	106 Å²	106	40.4 Å²	40.4	69%	0.688	23%	0.229	S	C	*	.	S	Bend	trans	-64.2	-27.3	177	26.7	-34.9	0	0	0	112.2
205	Q	97.4	Very high	96.9	Very high	81 Å²	81	41 Å²	41	38%	0.379	24%	0.244	S	C	.	.	S	Bend	trans	-150.7	160.6	176.2	66.1	173.2	81.6	0	0	112.2	Q203 A296 Q297 H300	Q203-Q205 PolarHBondContact O-N 2.79Å; Q205-A296 PolarHBondContact NE2-O 3.3Å; Q205-Q297 VanDerWaalsContact NE2-C 3.27Å; Q205-Q297 PolarHBondContact NE2-O 3.38Å; Q205-H300 VanDerWaalsContact CA-O 3.25Å; Q205-H300 WeakPolarHBondContact CA-O 3.33Å; Q205-H300 WeakPolarHBondContact CB-O 3.28Å
206	G	97.9	Very high	96.8	Very high	3 Å²	3	38.5 Å²	38.5	3%	0.031	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	138.1	172.3	173.8	0	0	0	0	0	112.4	A296 H300 V302 A331 T333	G206-A296 PolarHBondContact N-O 2.78Å; G206-H300 PolarHBondContact N-O 3.48Å; G206-V302 PolarHBondContact O-N 2.95Å; G206-A331 CarbonylContact C-O 3.51Å; G206-A331 WeakPolarHBondContact CA-O 3.44Å; G206-T333 WeakPolarHBondContact CA-OG1 3.33Å
207	L	98.6	Very high	96.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	119.5	-176.8	178.8	61.5	0	0	0	110.4	L209 I293 A296 V302 A331 L332 T333 L334	L207-L209 HydrophobicContact CD1-CD2 3.81Å; L207-L209 HydrophobicContact CD1-CG 4.38Å; L207-L209 HydrophobicContact CD2-CD1 4.38Å; L207-L209 HydrophobicContact CD2-CD2 4.23Å; L207-L209 HydrophobicContact CD2-CG 4.34Å; L207-L209 HydrophobicContact CG-CD2 3.99Å; L207-L209 HydrophobicContact CG-CG 4.04Å; L207-I293 HydrophobicContact CD2-CG1 3.8Å; L207-A296 HydrophobicContact CB-CB 3.8Å; L207-V302 WeakPolarHBondContact CA-O 3.27Å; L207-V302 HydrophobicContact CD1-CB 3.88Å; L207-V302 HydrophobicContact CD1-CG1 3.71Å; L207-A331 PolarHBondContact N-O 2.9Å; L207-L332 HydrophobicContact CB-CD2 4.14Å; L207-L332 HydrophobicContact CD2-CD2 3.61Å; L207-L332 HydrophobicContact CD2-CG 4.48Å; L207-L332 HydrophobicContact CG-CD2 3.81Å; L207-T333 PolarHBondContact O-N 3Å; L207-L334 PolarHBondContact O-N 3.49Å
208	V	98.7	Very high	96.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	123.9	171.8	178.3	0	0	0	0	109	F197 A200 L301 V302 L303 S304 L334	F197-V208 HydrophobicContact CE2-CG1 4.2Å; A200-V208 HydrophobicContact CB-CG2 3.98Å; V208-L301 HydrophobicContact CG2-CD1 4.24Å; V208-V302 PolarHBondContact N-O 2.99Å; V208-L303 HydrophobicContact CB-CD2 3.63Å; V208-L303 HydrophobicContact CG1-CD2 4.22Å; V208-L303 HydrophobicContact CG2-CD2 4.03Å; V208-L303 WeakPolarHBondContact O-CA 3.3Å; V208-S304 PolarHBondContact O-N 3.38Å; V208-L334 WeakPolarHBondContact CA-O 3.44Å; V208-L334 HydrophobicContact CG1-CB 4.21Å; V208-L334 HydrophobicContact CG1-CD2 4.2Å; V208-L334 HydrophobicContact CG2-CB 4.25Å
209	L	98.7	Very high	96.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	124.5	-179.4	-64.5	177.6	0	0	0	110.6	L207 T211 I283 S304 L306 T314 L318 L332 L334 V335 I336	L207-L209 HydrophobicContact CD1-CD2 3.81Å; L207-L209 HydrophobicContact CD1-CG 4.38Å; L207-L209 HydrophobicContact CD2-CD1 4.38Å; L207-L209 HydrophobicContact CD2-CD2 4.23Å; L207-L209 HydrophobicContact CD2-CG 4.34Å; L207-L209 HydrophobicContact CG-CD2 3.99Å; L207-L209 HydrophobicContact CG-CG 4.04Å; L209-T211 HydrophobicContact CB-CG2 4.2Å; L209-I283 HydrophobicContact CD2-CD1 4.13Å; L209-S304 WeakPolarHBondContact CA-O 3.3Å; L209-L306 HydrophobicContact CD1-CD1 3.99Å; L209-L306 HydrophobicContact CD2-CD1 3.68Å; L209-L306 HydrophobicContact CG-CD1 4.31Å; L209-T314 HydrophobicContact CD1-CG2 3.86Å; L209-L318 HydrophobicContact CD1-CD1 3.69Å; L209-L332 HydrophobicContact CD1-CD2 3.58Å; L209-L332 HydrophobicContact CG-CD2 4.06Å; L209-L334 PolarHBondContact N-O 3.17Å; L209-V335 HydrophobicContact CB-CG1 4.39Å; L209-I336 PolarHBondContact O-N 3.35Å
210	V	98.6	Very high	96	Very high	0 Å²	0	36 Å²	36	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	117.7	168.7	-174.4	0	0	0	0	108.3	K218 T221 L222 S304 T305 L306 I336	V210-K218 HydrophobicContact CG1-CB 3.98Å; V210-K218 HydrophobicContact CG1-CG 4.16Å; V210-K218 WeakPolarHBondContact O-CD 3.48Å; V210-T221 HydrophobicContact CG1-CG2 4.09Å; V210-T221 HydrophobicContact CG2-CG2 3.97Å; V210-L222 HydrophobicContact CB-CD2 4.3Å; V210-L222 HydrophobicContact CG2-CD2 3.67Å; V210-L222 HydrophobicContact CG2-CG 4.3Å; V210-S304 PolarHBondContact N-O 2.96Å; V210-T305 WeakPolarHBondContact O-CA 3.47Å; V210-T305 VanDerWaalsContact O-CB 3.24Å; V210-T305 WeakPolarHBondContact O-CB 3.39Å; V210-L306 PolarHBondContact O-N 3.25Å; V210-I336 CarbonylContact C-O 3.57Å; V210-I336 HydrophobicContact CG2-CD1 4.31Å
211	T	98.4	Very high	95.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	161.9	-170.7	75.8	0	0	0	0	112.6	L209 L306 T308 T314 V335 I336 Q338	L209-T211 HydrophobicContact CB-CG2 4.2Å; T211-L306 VanDerWaalsContact CA-O 3.26Å; T211-L306 WeakPolarHBondContact CA-O 3.5Å; T211-L306 HydrophobicContact CG2-CB 3.97Å; T211-T308 VanDerWaalsContact CB-OG1 3.24Å; T211-T308 WeakPolarHBondContact CB-OG1 3.42Å; T211-T308 PolarHBondContact OG1-OG1 3.41Å; T211-T314 HydrophobicContact CG2-CG2 3.72Å; T211-T314 PolarHBondContact OG1-OG1 2.87Å; T211-V335 HydrophobicContact CG2-CG1 4.46Å; T211-I336 PolarHBondContact N-O 3.33Å; T211-I336 PolarHBondContact OG1-O 3.44Å; T211-I336 VanDerWaalsContact OG1-O 3.14Å; T211-Q338 WeakPolarHBondContact O-CB 3.37Å; T211-Q338 PolarHBondContact O-N 2.99Å
212	G	97.3	Very high	95.9	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.213	C	C	.	.			trans	143.7	165.2	-175.4	0	0	0	0	0	111.2	K218 L306 H307 T308	G212-K218 PolarHBondContact O-NZ 3.08Å; G212-L306 PolarHBondContact N-O 2.83Å; G212-H307 WeakPolarHBondContact O-CA 3.36Å; G212-H307 PolarHBondContact O-ND1 3.43Å; G212-T308 WeakPolarHBondContact CA-O 3.49Å; G212-T308 PolarHBondContact N-O 3.09Å
213	P	94.9	Very high	95.8	Very high	45 Å²	45	28.7 Å²	28.7	29%	0.292	18%	0.18	S	C	.	.	S	Bend	trans	-69.4	176.9	179.5	31	-37.7	0	0	0	111.6	G215 S216 K218	P213-G215 PolarHBondContact O-N 3.07Å; P213-S216 WeakPolarHBondContact O-CB 3.44Å; P213-S216 PolarHBondContact O-N 3.5Å; P213-S216 PolarHBondContact O-OG 2.86Å; P213-K218 PolarHBondContact O-NZ 3.06Å; P213-K218 VanDerWaalsContact O-NZ 3.12Å
214	T	90	Very high	95.8	Very high	106 Å²	106	25.8 Å²	25.8	65%	0.65	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.9	134.8	170.2	-55.9	0	0	0	0	111	S216	T214-S216 VanDerWaalsContact C-N 3.33Å; T214-S216 PolarHBondContact O-N 3.39Å
215	G	89.8	Confident	95.8	Very high	49 Å²	49	20.8 Å²	20.8	51%	0.505	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	11.3	178.9	0	0	0	0	0	115	P213 G217 L340 R385	P213-G215 PolarHBondContact O-N 3.07Å; G215-G217 VanDerWaalsContact C-N 3.26Å; G215-G217 PolarHBondContact O-N 3.48Å; G215-L340 WeakPolarHBondContact O-CD1 3.31Å; G215-R385 PolarHBondContact O-NH1 2.91Å
216	S	94.4	Very high	95.8	Very high	2 Å²	2	16.9 Å²	16.9	1%	0.014	12%	0.116	C	C	.	.	S	Bend	trans	-78.9	-2.7	173.4	68.2	0	0	0	0	114.6	P213 T214 K218 Q338 L340	P213-S216 WeakPolarHBondContact O-CB 3.44Å; P213-S216 PolarHBondContact O-N 3.5Å; P213-S216 PolarHBondContact O-OG 2.86Å; T214-S216 VanDerWaalsContact C-N 3.33Å; T214-S216 PolarHBondContact O-N 3.39Å; S216-K218 VanDerWaalsContact OG-CG 3.22Å; S216-K218 WeakPolarHBondContact OG-CG 3.33Å; S216-Q338 VanDerWaalsContact CB-O 3.28Å; S216-Q338 WeakPolarHBondContact CB-O 3.37Å; S216-Q338 VanDerWaalsContact O-CD 3.31Å; S216-Q338 VanDerWaalsContact O-CG 3.3Å; S216-Q338 WeakPolarHBondContact O-CG 3.41Å; S216-Q338 PolarHBondContact O-NE2 2.98Å; S216-L340 WeakPolarHBondContact O-CG 3.32Å
217	G	93.2	Very high	95.7	Very high	16 Å²	16	20.6 Å²	20.6	17%	0.165	13%	0.133	C	C	.	.	S	Bend	trans	88.7	13.8	176.6	0	0	0	0	0	115.5	G215 T219 V220 T221 Q338	G215-G217 VanDerWaalsContact C-N 3.26Å; G215-G217 PolarHBondContact O-N 3.48Å; G217-T219 VanDerWaalsContact C-N 3.32Å; G217-T219 PolarHBondContact O-N 3.45Å; G217-V220 PolarHBondContact O-N 3.41Å; G217-V220 VanDerWaalsContact O-N 3.13Å; G217-T221 PolarHBondContact O-N 3.48Å; G217-T221 PolarHBondContact O-OG1 3.37Å; G217-Q338 PolarHBondContact O-NE2 2.87Å; G217-Q338 VanDerWaalsContact O-NE2 3.17Å
218	K	95.7	Very high	95.6	Very high	14 Å²	14	24 Å²	24	6%	0.061	15%	0.154	C	C	.	.	H	α-helix	trans	-53.1	-45.3	-179.1	-49.4	-171	-68.7	-84.9	0	113.3	V210 G212 P213 S216 V220 T221 L222 T305 H307	V210-K218 HydrophobicContact CG1-CB 3.98Å; V210-K218 HydrophobicContact CG1-CG 4.16Å; V210-K218 WeakPolarHBondContact O-CD 3.48Å; G212-K218 PolarHBondContact O-NZ 3.08Å; P213-K218 PolarHBondContact O-NZ 3.06Å; P213-K218 VanDerWaalsContact O-NZ 3.12Å; S216-K218 VanDerWaalsContact OG-CG 3.22Å; S216-K218 WeakPolarHBondContact OG-CG 3.33Å; K218-V220 VanDerWaalsContact C-N 3.31Å; K218-V220 PolarHBondContact O-N 2.95Å; K218-T221 WeakPolarHBondContact O-CB 3.17Å; K218-T221 PolarHBondContact O-N 3.18Å; K218-L222 PolarHBondContact O-N 3.43Å; K218-T305 HydrophobicContact CB-CG2 3.86Å; K218-T305 HydrophobicContact CD-CG2 4.15Å; K218-H307 PolarHBondContact NZ-CE1 2.85Å; K218-H307 PolarHBondContact NZ-ND1 3.43Å; K218-H307 VanDerWaalsContact NZ-ND1 3.2Å
219	T	93.3	Very high	95.5	Very high	62 Å²	62	25 Å²	25	38%	0.38	16%	0.159	S	C	.	.	H	α-helix	trans	-59.4	-41.6	179.9	-50.1	0	0	0	0	111.8	G217 L222 Y223 E244	G217-T219 VanDerWaalsContact C-N 3.32Å; G217-T219 PolarHBondContact O-N 3.45Å; T219-L222 PolarHBondContact O-N 3.24Å; T219-Y223 HydrophobicContact CG2-CD1 4.3Å; T219-Y223 HydrophobicContact CG2-CD2 4.19Å; T219-Y223 HydrophobicContact CG2-CE1 4.11Å; T219-Y223 HydrophobicContact CG2-CE2 3.95Å; T219-Y223 HydrophobicContact CG2-CG 4.36Å; T219-Y223 WeakPolarHBondContact O-CB 3.43Å; T219-Y223 PolarHBondContact O-N 2.88Å; T219-E244 HydrophobicContact CG2-CB 4.27Å; T219-E244 HydrophobicContact CG2-CG 4.23Å
220	V	93.5	Very high	95.4	Very high	51 Å²	51	26.7 Å²	26.7	31%	0.309	17%	0.168	S	C	.	.	H	α-helix	trans	-63.5	-45.7	177.4	179.1	0	0	0	0	110.1	L187 G217 K218 L222 Y223 S224	L187-V220 HydrophobicContact CD2-CG1 4.08Å; G217-V220 PolarHBondContact O-N 3.41Å; G217-V220 VanDerWaalsContact O-N 3.13Å; K218-V220 VanDerWaalsContact C-N 3.31Å; K218-V220 PolarHBondContact O-N 2.95Å; V220-L222 PolarHBondContact O-N 3.43Å; V220-Y223 PolarHBondContact O-N 2.75Å; V220-S224 WeakPolarHBondContact O-CB 3.44Å; V220-S224 PolarHBondContact O-N 2.8Å; V220-S224 PolarHBondContact O-OG 2.91Å; V220-S224 VanDerWaalsContact O-OG 3.08Å
221	T	96.4	Very high	95.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-59.8	-46	176.5	-57	0	0	0	0	112	L187 M189 F197 V210 G217 K218 S224 A225 Q338	L187-T221 HydrophobicContact CD1-CG2 4.08Å; M189-T221 HydrophobicContact CE-CG2 4.38Å; F197-T221 HydrophobicContact CE1-CG2 4.23Å; F197-T221 HydrophobicContact CZ-CG2 4.01Å; V210-T221 HydrophobicContact CG1-CG2 4.09Å; V210-T221 HydrophobicContact CG2-CG2 3.97Å; G217-T221 PolarHBondContact O-N 3.48Å; G217-T221 PolarHBondContact O-OG1 3.37Å; K218-T221 WeakPolarHBondContact O-CB 3.17Å; K218-T221 PolarHBondContact O-N 3.18Å; T221-S224 PolarHBondContact O-N 3.19Å; T221-A225 PolarHBondContact O-N 3.2Å; T221-Q338 PolarHBondContact OG1-NE2 3.02Å; T221-Q338 PolarHBondContact OG1-OE1 3.48Å
222	L	97.1	Very high	95.1	Very high	5 Å²	5	35.3 Å²	35.3	3%	0.026	23%	0.233	C	C	.	.	H	α-helix	trans	-64.3	-46.7	177.5	-75.4	-169.6	0	0	0	112	V210 K218 T219 V220 S224 A225 L226 M279 L303 T305	V210-L222 HydrophobicContact CB-CD2 4.3Å; V210-L222 HydrophobicContact CG2-CD2 3.67Å; V210-L222 HydrophobicContact CG2-CG 4.3Å; K218-L222 PolarHBondContact O-N 3.43Å; T219-L222 PolarHBondContact O-N 3.24Å; V220-L222 PolarHBondContact O-N 3.43Å; L222-S224 VanDerWaalsContact C-N 3.33Å; L222-S224 PolarHBondContact O-N 2.99Å; L222-A225 WeakPolarHBondContact O-CB 3.19Å; L222-A225 PolarHBondContact O-N 3.39Å; L222-A225 VanDerWaalsContact O-N 3.12Å; L222-L226 WeakPolarHBondContact O-CG 3.47Å; L222-L226 PolarHBondContact O-N 3.13Å; L222-M279 HydrophobicContact CD1-CG 4.08Å; L222-M279 HydrophobicContact CD1-SD 4.01Å; L222-L303 HydrophobicContact CD2-CB 3.9Å; L222-T305 HydrophobicContact CD1-CG2 3.34Å; L222-T305 HydrophobicContact CG-CG2 4.14Å
223	Y	95.8	Very high	95.1	Very high	1 Å²	1	41.6 Å²	41.6	0%	0.004	27%	0.267	C	S	.	.	H	α-helix	trans	-66.3	-35.4	-180	-76.8	8	0	0	0	112.3	T219 V220 A225 L226 Q227 E240 E244 I245 I247 M279	T219-Y223 HydrophobicContact CG2-CD1 4.3Å; T219-Y223 HydrophobicContact CG2-CD2 4.19Å; T219-Y223 HydrophobicContact CG2-CE1 4.11Å; T219-Y223 HydrophobicContact CG2-CE2 3.95Å; T219-Y223 HydrophobicContact CG2-CG 4.36Å; T219-Y223 WeakPolarHBondContact O-CB 3.43Å; T219-Y223 PolarHBondContact O-N 2.88Å; V220-Y223 PolarHBondContact O-N 2.75Å; Y223-A225 VanDerWaalsContact C-N 3.32Å; Y223-A225 PolarHBondContact O-N 3.26Å; Y223-L226 HydrophobicContact CD1-CD1 4.2Å; Y223-L226 PolarHBondContact O-N 3.3Å; Y223-Q227 VanDerWaalsContact O-CB 3.31Å; Y223-Q227 WeakPolarHBondContact O-CB 3.34Å; Y223-Q227 PolarHBondContact O-N 3.41Å; Y223-E240 PolarHBondContact OH-OE2 3.34Å; Y223-E244 HydrophobicContact CE2-CB 4.3Å; Y223-E244 PolarHBondContact OH-N 2.99Å; Y223-I245 HydrophobicContact CD2-CB 4.15Å; Y223-I245 HydrophobicContact CD2-CD1 3.64Å; Y223-I245 HydrophobicContact CD2-CG1 4.42Å; Y223-I245 HydrophobicContact CE2-CB 3.64Å; Y223-I245 HydrophobicContact CE2-CD1 3.66Å; Y223-I245 HydrophobicContact CE2-CG1 4.03Å; Y223-I245 PolarHBondContact OH-N 3.45Å; Y223-I247 HydrophobicContact CD1-CD1 4.21Å; Y223-I247 HydrophobicContact CD2-CD1 3.89Å; Y223-I247 HydrophobicContact CE2-CD1 4.41Å; Y223-I247 HydrophobicContact CG-CD1 3.78Å; Y223-M279 HydrophobicContact CD1-CE 4.3Å; Y223-M279 HydrophobicContact CE1-CE 3.73Å
224	S	95.7	Very high	95.2	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.007	27%	0.265	C	S	.	.	H	α-helix	trans	-62.8	-38.3	170.5	-66	0	0	0	0	112.3	D183 V184 V220 T221 L222 T228	D183-S224 PolarHBondContact N-OG 2.94Å; V184-S224 WeakPolarHBondContact CG1-O 3.25Å; V220-S224 WeakPolarHBondContact O-CB 3.44Å; V220-S224 PolarHBondContact O-N 2.8Å; V220-S224 PolarHBondContact O-OG 2.91Å; V220-S224 VanDerWaalsContact O-OG 3.08Å; T221-S224 PolarHBondContact O-N 3.19Å; L222-S224 VanDerWaalsContact C-N 3.33Å; L222-S224 PolarHBondContact O-N 2.99Å; S224-T228 PolarHBondContact O-N 3.28Å; S224-T228 VanDerWaalsContact O-N 3.07Å; S224-T228 PolarHBondContact O-OG1 3.11Å
225	A	97.4	Very high	95.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.9	-47.3	174	0	0	0	0	0	111.6	F197 L201 T221 L222 Y223 Q227 T228 L229 L303	F197-A225 HydrophobicContact CE1-CB 4.41Å; F197-A225 HydrophobicContact CE2-CB 4.47Å; F197-A225 HydrophobicContact CZ-CB 3.75Å; L201-A225 HydrophobicContact CD1-CB 3.79Å; L201-A225 HydrophobicContact CD2-CB 3.82Å; L201-A225 HydrophobicContact CG-CB 4.48Å; T221-A225 PolarHBondContact O-N 3.2Å; L222-A225 WeakPolarHBondContact O-CB 3.19Å; L222-A225 PolarHBondContact O-N 3.39Å; L222-A225 VanDerWaalsContact O-N 3.12Å; Y223-A225 VanDerWaalsContact C-N 3.32Å; Y223-A225 PolarHBondContact O-N 3.26Å; A225-Q227 VanDerWaalsContact C-N 3.32Å; A225-Q227 PolarHBondContact O-N 2.66Å; A225-T228 WeakPolarHBondContact O-CB 3.22Å; A225-T228 PolarHBondContact O-N 3.39Å; A225-T228 VanDerWaalsContact O-N 3.16Å; A225-L229 WeakPolarHBondContact O-CG 3.45Å; A225-L229 PolarHBondContact O-N 3.28Å; A225-L229 VanDerWaalsContact O-N 3.11Å; A225-L303 HydrophobicContact CB-CD1 4.05Å
226	L	97.1	Very high	96	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.6	-40.9	177.3	-64	177.7	0	0	0	111.8	L222 Y223 T228 L229 N230 I236 L250 V277 M279 L303	L222-L226 WeakPolarHBondContact O-CG 3.47Å; L222-L226 PolarHBondContact O-N 3.13Å; Y223-L226 HydrophobicContact CD1-CD1 4.2Å; Y223-L226 PolarHBondContact O-N 3.3Å; L226-T228 VanDerWaalsContact C-N 3.29Å; L226-T228 PolarHBondContact O-N 3.17Å; L226-L229 CarbonylContact O-C 3.48Å; L226-L229 PolarHBondContact O-N 3.09Å; L226-L229 VanDerWaalsContact O-N 3.11Å; L226-N230 VanDerWaalsContact O-CB 3.29Å; L226-N230 WeakPolarHBondContact O-CB 3.46Å; L226-N230 PolarHBondContact O-N 3.47Å; L226-I236 HydrophobicContact CD2-CG2 3.75Å; L226-L250 HydrophobicContact CB-CD2 3.89Å; L226-L250 HydrophobicContact CD1-CD2 3.82Å; L226-L250 HydrophobicContact CG-CD2 4.39Å; L226-V277 HydrophobicContact CD2-CG1 4.12Å; L226-M279 HydrophobicContact CD1-CB 4.03Å; L226-M279 HydrophobicContact CD1-CE 3.98Å; L226-M279 HydrophobicContact CD1-CG 4.05Å; L226-M279 HydrophobicContact CD2-CB 4.11Å; L226-L303 HydrophobicContact CD2-CD1 3.66Å; L226-L303 HydrophobicContact CG-CD1 4.27Å
227	Q	95.4	Very high	96.2	Very high	80 Å²	80	36.6 Å²	36.6	37%	0.374	22%	0.222	S	C	.	.	H	α-helix	trans	-62.7	-36	176.4	-171.7	62.2	49.1	0	0	112.2	L182 Y223 A225 L229 N230	L182-Q227 HydrophobicContact CB-CB 4.16Å; L182-Q227 HydrophobicContact CB-CG 4.29Å; Y223-Q227 VanDerWaalsContact O-CB 3.31Å; Y223-Q227 WeakPolarHBondContact O-CB 3.34Å; Y223-Q227 PolarHBondContact O-N 3.41Å; A225-Q227 VanDerWaalsContact C-N 3.32Å; A225-Q227 PolarHBondContact O-N 2.66Å; Q227-L229 VanDerWaalsContact C-N 3.31Å; Q227-N230 PolarHBondContact O-N 3.33Å
228	T	95.9	Very high	96.4	Very high	73 Å²	73	35.9 Å²	35.9	45%	0.448	21%	0.214	S	C	.	.	H	α-helix	trans	-64.5	-36.7	173.6	-57.4	0	0	0	0	112	V184 S224 A225 L226	V184-T228 WeakPolarHBondContact CG1-OG1 3.41Å; S224-T228 PolarHBondContact O-N 3.28Å; S224-T228 VanDerWaalsContact O-N 3.07Å; S224-T228 PolarHBondContact O-OG1 3.11Å; A225-T228 WeakPolarHBondContact O-CB 3.22Å; A225-T228 PolarHBondContact O-N 3.39Å; A225-T228 VanDerWaalsContact O-N 3.16Å; L226-T228 VanDerWaalsContact C-N 3.29Å; L226-T228 PolarHBondContact O-N 3.17Å
229	L	97.2	Very high	96.5	Very high	19 Å²	19	35.2 Å²	35.2	10%	0.099	21%	0.211	C	C	.	.	H	α-helix	trans	-85	-11.4	-179.5	-64.8	169.7	0	0	0	113.5	L201 A225 L226 Q227 T231 I234 I236 V277 L301 L303	L201-L229 HydrophobicContact CB-CD2 4.32Å; L201-L229 HydrophobicContact CD2-CD1 4.24Å; L201-L229 WeakPolarHBondContact O-CD2 3.24Å; A225-L229 WeakPolarHBondContact O-CG 3.45Å; A225-L229 PolarHBondContact O-N 3.28Å; A225-L229 VanDerWaalsContact O-N 3.11Å; L226-L229 CarbonylContact O-C 3.48Å; L226-L229 PolarHBondContact O-N 3.09Å; L226-L229 VanDerWaalsContact O-N 3.11Å; Q227-L229 VanDerWaalsContact C-N 3.31Å; L229-T231 VanDerWaalsContact C-N 3.27Å; L229-T231 PolarHBondContact O-N 2.94Å; L229-I234 WeakPolarHBondContact O-CD1 3.45Å; L229-I236 HydrophobicContact CB-CD1 3.87Å; L229-V277 HydrophobicContact CD1-CG1 4.12Å; L229-V277 HydrophobicContact CD1-CG2 4.15Å; L229-L301 HydrophobicContact CD1-CD2 3.79Å; L229-L303 HydrophobicContact CD1-CD1 4.49Å
230	N	96.4	Very high	96.6	Very high	37 Å²	37	32.6 Å²	32.6	20%	0.198	19%	0.194	C	C	.	.			trans	-76	75	-170.9	-174.6	14.2	0	0	0	111.8	L226 Q227 I236 A248 L250	L226-N230 VanDerWaalsContact O-CB 3.29Å; L226-N230 WeakPolarHBondContact O-CB 3.46Å; L226-N230 PolarHBondContact O-N 3.47Å; Q227-N230 PolarHBondContact O-N 3.33Å; N230-I236 HydrophobicContact CB-CD1 4.19Å; N230-A248 PolarHBondContact ND2-O 2.99Å; N230-L250 HydrophobicContact CB-CD1 3.94Å; N230-L250 WeakPolarHBondContact ND2-CD1 3.37Å
231	T	96.7	Very high	96.6	Very high	62 Å²	62	33.6 Å²	33.6	38%	0.38	20%	0.198	S	C	.	.			trans	-111.3	158.9	172.5	61.2	0	0	0	0	110.2	L229 D233 I234	L229-T231 VanDerWaalsContact C-N 3.27Å; L229-T231 PolarHBondContact O-N 2.94Å; T231-D233 WeakPolarHBondContact CB-OD1 3.31Å; T231-D233 PolarHBondContact O-N 2.87Å; T231-D233 VanDerWaalsContact O-N 3.12Å; T231-D233 PolarHBondContact OG1-OD1 2.98Å; T231-I234 PolarHBondContact O-N 3.4Å; T231-I234 WeakPolarHBondContact OG1-CD1 3.32Å; T231-I234 WeakPolarHBondContact OG1-CG1 3.41Å
232	A	95	Very high	96.3	Very high	119 Å²	119	35.1 Å²	35.1	98%	0.983	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-15.2	-172.9	0	0	0	0	0	114.4
233	D	96.1	Very high	96.1	Very high	132 Å²	132	36.4 Å²	36.4	71%	0.706	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.3	0.2	-179.1	59.6	-40.8	0	0	0	113.9	T231	T231-D233 WeakPolarHBondContact CB-OD1 3.31Å; T231-D233 PolarHBondContact O-N 2.87Å; T231-D233 VanDerWaalsContact O-N 3.12Å; T231-D233 PolarHBondContact OG1-OD1 2.98Å
234	I	97.4	Very high	95.6	Very high	50 Å²	50	40 Å²	40	26%	0.256	23%	0.233	S	C	.	.			trans	-118.1	118.7	-179.2	-61.1	179.3	0	0	0	109.6	L229 T231 I236 D276 V277	L229-I234 WeakPolarHBondContact O-CD1 3.45Å; T231-I234 PolarHBondContact O-N 3.4Å; T231-I234 WeakPolarHBondContact OG1-CD1 3.32Å; T231-I234 WeakPolarHBondContact OG1-CG1 3.41Å; I234-I236 HydrophobicContact CG2-CD1 4.41Å; I234-I236 HydrophobicContact CG2-CG1 3.8Å; I234-I236 PolarHBondContact O-N 2.99Å; I234-D276 HydrophobicContact CG2-CB 3.86Å; I234-V277 HydrophobicContact CG2-CG2 3.74Å
235	N	97.8	Very high	95.1	Very high	42 Å²	42	41.9 Å²	41.9	23%	0.225	24%	0.242	C	C	.	.			trans	-83.4	103	174.7	-176.5	12.3	0	0	0	111	N251 Q273 D274 D276 V277	N235-N251 PolarHBondContact OD1-ND2 2.79Å; N235-N251 VanDerWaalsContact OD1-ND2 3.15Å; N235-Q273 PolarHBondContact ND2-O 2.91Å; N235-D274 PolarHBondContact ND2-O 3.26Å; N235-D276 PolarHBondContact N-OD2 2.83Å; N235-D276 PolarHBondContact O-N 2.84Å; N235-V277 PolarHBondContact O-N 2.92Å
236	I	98.3	Very high	94.7	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	122.1	179.3	-53.8	-177.9	0	0	0	110.4	L226 L229 N230 I234 L250 N251 V277	L226-I236 HydrophobicContact CD2-CG2 3.75Å; L229-I236 HydrophobicContact CB-CD1 3.87Å; N230-I236 HydrophobicContact CB-CD1 4.19Å; I234-I236 HydrophobicContact CG2-CD1 4.41Å; I234-I236 HydrophobicContact CG2-CG1 3.8Å; I234-I236 PolarHBondContact O-N 2.99Å; I236-L250 HydrophobicContact CB-CG 4.02Å; I236-L250 HydrophobicContact CD1-CD1 4.46Å; I236-L250 HydrophobicContact CD1-CG 4.43Å; I236-L250 HydrophobicContact CG2-CD2 4.04Å; I236-L250 HydrophobicContact CG2-CG 3.8Å; I236-N251 PolarHBondContact O-N 2.92Å; I236-V277 HydrophobicContact CB-CB 4.5Å; I236-V277 HydrophobicContact CG1-CB 4.12Å; I236-V277 HydrophobicContact CG1-CG2 4.37Å; I236-V277 HydrophobicContact CG2-CB 4.33Å; I236-V277 HydrophobicContact CG2-CG1 4.4Å
237	C	98.1	Very high	94.4	Very high	4 Å²	4	47.9 Å²	47.9	3%	0.027	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	136.7	176.7	-67.9	0	0	0	0	111.6	N251 L270 P275 V277 I278 M279	C237-N251 CarbonylContact C-O 3.37Å; C237-N251 WeakPolarHBondContact CA-O 3.46Å; C237-L270 HydrophobicContact CB-CD1 4Å; C237-L270 HydrophobicContact CB-CD2 3.65Å; C237-L270 HydrophobicContact CB-CG 4.32Å; C237-P275 HydrophobicContact CB-CB 4.25Å; C237-V277 PolarHBondContact N-O 2.84Å; C237-I278 CarbonylContact O-C 3.56Å; C237-I278 WeakPolarHBondContact O-CA 3.44Å; C237-M279 PolarHBondContact O-N 3.32Å
238	S	97.8	Very high	94.2	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.007	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	155.7	174.2	78.7	0	0	0	0	114.2	E240 N251 Q252 T253 M279	S238-E240 WeakPolarHBondContact CB-OE1 3.34Å; S238-E240 PolarHBondContact OG-OE1 3.36Å; S238-N251 PolarHBondContact N-O 2.66Å; S238-Q252 VanDerWaalsContact OG-CA 3.29Å; S238-Q252 WeakPolarHBondContact OG-CA 3.48Å; S238-Q252 WeakPolarHBondContact OG-CB 3.43Å; S238-Q252 WeakPolarHBondContact OG-CG 3.12Å; S238-T253 VanDerWaalsContact O-CB 3.3Å; S238-T253 WeakPolarHBondContact O-CB 3.4Å; S238-T253 PolarHBondContact O-N 3.15Å; S238-M279 CarbonylContact C-O 3.47Å; S238-M279 WeakPolarHBondContact CA-O 3.28Å
239	V	97.8	Very high	94.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	120.1	169.3	56.9	0	0	0	0	110.2	T253 I255 F263 V266 M279 I280 G281	V239-T253 CarbonylContact C-O 3.56Å; V239-T253 VanDerWaalsContact CA-O 3.32Å; V239-T253 WeakPolarHBondContact CA-O 3.42Å; V239-I255 HydrophobicContact CG2-CD1 3.3Å; V239-I255 HydrophobicContact CG2-CG1 4.25Å; V239-F263 HydrophobicContact CG1-CD1 4.13Å; V239-F263 HydrophobicContact CG1-CE1 4.47Å; V239-F263 HydrophobicContact CG2-CD1 3.76Å; V239-F263 HydrophobicContact CG2-CE1 4.1Å; V239-V266 HydrophobicContact CB-CB 4.35Å; V239-V266 HydrophobicContact CB-CG1 3.72Å; V239-V266 HydrophobicContact CG2-CB 3.77Å; V239-V266 HydrophobicContact CG2-CG1 3.63Å; V239-V266 HydrophobicContact CG2-CG2 4.38Å; V239-M279 PolarHBondContact N-O 2.97Å; V239-I280 HydrophobicContact CG1-CB 4.31Å; V239-I280 HydrophobicContact CG1-CG1 4.2Å; V239-I280 HydrophobicContact CG1-CG2 4.16Å; V239-G281 PolarHBondContact O-N 2.89Å
240	E	96.8	Very high	94	Very high	6 Å²	6	47.7 Å²	47.7	3%	0.028	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	150.6	-165.3	-56.2	-177.2	-128.3	0	0	113.7	Y223 S238 V243 Q252 T253 Q254 I255 M279	Y223-E240 PolarHBondContact OH-OE2 3.34Å; S238-E240 WeakPolarHBondContact CB-OE1 3.34Å; S238-E240 PolarHBondContact OG-OE1 3.36Å; E240-V243 HydrophobicContact CB-CG2 3.97Å; E240-V243 HydrophobicContact CG-CG2 4.46Å; E240-Q252 PolarHBondContact OE1-NE2 2.72Å; E240-T253 PolarHBondContact N-O 3.36Å; E240-Q254 CarbonylContact O-C 3.55Å; E240-Q254 WeakPolarHBondContact O-CA 3.27Å; E240-I255 WeakPolarHBondContact O-CG1 3.45Å; E240-I255 PolarHBondContact O-N 2.83Å; E240-M279 HydrophobicContact CG-CE 3.7Å; E240-M279 HydrophobicContact CG-SD 4.45Å; E240-M279 WeakPolarHBondContact OE1-CE 3.45Å
241	D	93	Very high	94.1	Very high	73 Å²	73	50.2 Å²	50.2	39%	0.39	32%	0.32	S	S	.	.	S	Bend	trans	-136	82.8	-176.7	-176.3	27.7	0	0	0	111.5	I255 F263 R284	D241-I255 HydrophobicContact CB-CB 4.09Å; D241-I255 HydrophobicContact CB-CG1 3.83Å; D241-F263 HydrophobicContact CB-CE2 3.7Å; D241-F263 HydrophobicContact CB-CZ 3.62Å; D241-R284 IonicContact OD2-CZ 2.64Å; D241-R284 IonicContact OD2-NH1 2.61Å; D241-R284 PolarHBondContact OD2-NH1 3.06Å; D241-R284 IonicContact OD2-NH2 3.03Å; D241-R284 PolarHBondContact OD2-NH2 2.8Å
242	P	90.6	Very high	94.1	Very high	32 Å²	32	49.3 Å²	49.3	21%	0.208	31%	0.311	C	S	.	.	S	Bend	cis	-91.1	-178.9	-8.2	37.8	-35.2	0	0	0	112.6	E244 Q254	P242-E244 PolarHBondContact O-N 3.23Å; P242-Q254 HydrophobicContact CB-CG 4.21Å
243	V	90.9	Very high	94.2	Very high	31 Å²	31	45.7 Å²	45.7	19%	0.188	28%	0.276	C	S	.	.			trans	-67.3	118.5	164.6	174.2	0	0	0	0	108.1	E240 Q252 Q254	E240-V243 HydrophobicContact CB-CG2 3.97Å; E240-V243 HydrophobicContact CG-CG2 4.46Å; V243-Q252 HydrophobicContact CG1-CB 4.39Å; V243-Q252 HydrophobicContact CG2-CB 4.04Å; V243-Q254 HydrophobicContact CG2-CB 4.02Å
244	E	86.5	Confident	94.2	Very high	76 Å²	76	44 Å²	44	36%	0.355	26%	0.264	S	S	.	.			trans	-81.1	-43.3	-176.3	-67.9	-66	168.2	0	0	111.7	R158 T219 Y223 P242	R158-E244 IonicContact CZ-OE1 3.76Å; R158-E244 IonicContact CZ-OE2 3.93Å; R158-E244 IonicContact NH1-OE1 3.44Å; R158-E244 PolarHBondContact NH1-OE1 3.14Å; R158-E244 IonicContact NH1-OE2 3.75Å; R158-E244 PolarHBondContact NH1-OE2 2.87Å; R158-E244 VanDerWaalsContact NH2-CD 3.27Å; R158-E244 IonicContact NH2-OE1 2.71Å; R158-E244 PolarHBondContact NH2-OE1 2.86Å; R158-E244 IonicContact NH2-OE2 3.45Å; R158-E244 PolarHBondContact NH2-OE2 3.5Å; T219-E244 HydrophobicContact CG2-CB 4.27Å; T219-E244 HydrophobicContact CG2-CG 4.23Å; Y223-E244 HydrophobicContact CE2-CB 4.3Å; Y223-E244 PolarHBondContact OH-N 2.99Å; P242-E244 PolarHBondContact O-N 3.23Å
245	I	84.3	Confident	94.1	Very high	41 Å²	41	42.2 Å²	42.2	21%	0.21	26%	0.255	C	S	.	.	S	Bend	trans	-137.7	125.9	179	-54.8	141.8	0	0	0	108.6	V178 Y223 I247 Q252	V178-I245 HydrophobicContact CG2-CD1 3.26Å; V178-I245 HydrophobicContact CG2-CG1 3.69Å; V178-I245 HydrophobicContact CG2-CG2 4.42Å; Y223-I245 HydrophobicContact CD2-CB 4.15Å; Y223-I245 HydrophobicContact CD2-CD1 3.64Å; Y223-I245 HydrophobicContact CD2-CG1 4.42Å; Y223-I245 HydrophobicContact CE2-CB 3.64Å; Y223-I245 HydrophobicContact CE2-CD1 3.66Å; Y223-I245 HydrophobicContact CE2-CG1 4.03Å; Y223-I245 PolarHBondContact OH-N 3.45Å; I245-I247 PolarHBondContact O-N 3.35Å; I245-Q252 PolarHBondContact O-NE2 2.93Å; I245-Q252 VanDerWaalsContact O-NE2 3.13Å; I245-Q252 PolarHBondContact O-OE1 2.87Å
246	P	89.5	Confident	93.9	Very high	112 Å²	112	44.8 Å²	44.8	73%	0.727	27%	0.266	S	S	*	.			trans	-70.6	123.7	170.4	28.9	-32.2	0	0	0	109.9
247	I	90.5	Very high	93.5	Very high	14 Å²	14	49.2 Å²	49.2	7%	0.072	30%	0.295	C	S	.	.			trans	-110.7	121	177.4	-54.1	178.3	0	0	0	108.1	L182 Y223 I245 L250	L182-I247 HydrophobicContact CD1-CD1 4.05Å; L182-I247 HydrophobicContact CD1-CG1 4.48Å; Y223-I247 HydrophobicContact CD1-CD1 4.21Å; Y223-I247 HydrophobicContact CD2-CD1 3.89Å; Y223-I247 HydrophobicContact CE2-CD1 4.41Å; Y223-I247 HydrophobicContact CG-CD1 3.78Å; I245-I247 PolarHBondContact O-N 3.35Å; I247-L250 HydrophobicContact CB-CD1 4.18Å; I247-L250 HydrophobicContact CB-CD2 4.08Å; I247-L250 HydrophobicContact CD1-CD2 4.18Å; I247-L250 HydrophobicContact CG2-CD1 3.67Å; I247-L250 HydrophobicContact CG2-CD2 4.27Å; I247-L250 PolarHBondContact O-N 2.82Å
248	A	92.1	Very high	93.1	Very high	90 Å²	90	60.8 Å²	60.8	74%	0.744	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	137.3	176.4	0	0	0	0	0	110.9	N230	N230-A248 PolarHBondContact ND2-O 2.99Å
249	G	94	Very high	92.8	Very high	60 Å²	60	64 Å²	64	62%	0.619	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.6	-10.2	-178.2	0	0	0	0	0	114.8
250	L	94.9	Very high	92.4	Very high	18 Å²	18	66.2 Å²	66.2	9%	0.094	39%	0.388	C	S	.	.	S	Bend	trans	-106.9	148.8	178.4	-74.6	63.1	0	0	0	111.6	L226 N230 I236 I247 Q252	L226-L250 HydrophobicContact CB-CD2 3.89Å; L226-L250 HydrophobicContact CD1-CD2 3.82Å; L226-L250 HydrophobicContact CG-CD2 4.39Å; N230-L250 HydrophobicContact CB-CD1 3.94Å; N230-L250 WeakPolarHBondContact ND2-CD1 3.37Å; I236-L250 HydrophobicContact CB-CG 4.02Å; I236-L250 HydrophobicContact CD1-CD1 4.46Å; I236-L250 HydrophobicContact CD1-CG 4.43Å; I236-L250 HydrophobicContact CG2-CD2 4.04Å; I236-L250 HydrophobicContact CG2-CG 3.8Å; I247-L250 HydrophobicContact CB-CD1 4.18Å; I247-L250 HydrophobicContact CB-CD2 4.08Å; I247-L250 HydrophobicContact CD1-CD2 4.18Å; I247-L250 HydrophobicContact CG2-CD1 3.67Å; I247-L250 HydrophobicContact CG2-CD2 4.27Å; I247-L250 PolarHBondContact O-N 2.82Å; L250-Q252 HydrophobicContact CB-CG 4Å; L250-Q252 PolarHBondContact O-N 3.35Å
251	N	97	Very high	92.3	Very high	91 Å²	91	69.6 Å²	69.6	49%	0.487	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	87.8	170.2	-64.9	-59.3	0	0	0	110.1	N235 I236 C237 S238	N235-N251 PolarHBondContact OD1-ND2 2.79Å; N235-N251 VanDerWaalsContact OD1-ND2 3.15Å; I236-N251 PolarHBondContact O-N 2.92Å; C237-N251 CarbonylContact C-O 3.37Å; C237-N251 WeakPolarHBondContact CA-O 3.46Å; S238-N251 PolarHBondContact N-O 2.66Å
252	Q	97.2	Very high	92.3	Very high	43 Å²	43	68.5 Å²	68.5	20%	0.201	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	119.2	-177.8	-59.3	180	-89.4	0	0	112.2	S238 E240 V243 I245 L250	S238-Q252 VanDerWaalsContact OG-CA 3.29Å; S238-Q252 WeakPolarHBondContact OG-CA 3.48Å; S238-Q252 WeakPolarHBondContact OG-CB 3.43Å; S238-Q252 WeakPolarHBondContact OG-CG 3.12Å; E240-Q252 PolarHBondContact OE1-NE2 2.72Å; V243-Q252 HydrophobicContact CG1-CB 4.39Å; V243-Q252 HydrophobicContact CG2-CB 4.04Å; I245-Q252 PolarHBondContact O-NE2 2.93Å; I245-Q252 VanDerWaalsContact O-NE2 3.13Å; I245-Q252 PolarHBondContact O-OE1 2.87Å; L250-Q252 HydrophobicContact CB-CG 4Å; L250-Q252 PolarHBondContact O-N 3.35Å
253	T	97.1	Very high	92.5	Very high	42 Å²	42	67.9 Å²	67.9	26%	0.258	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	121.9	178.6	-56	0	0	0	0	110.9	S238 V239 E240 V266	S238-T253 VanDerWaalsContact O-CB 3.3Å; S238-T253 WeakPolarHBondContact O-CB 3.4Å; S238-T253 PolarHBondContact O-N 3.15Å; V239-T253 CarbonylContact C-O 3.56Å; V239-T253 VanDerWaalsContact CA-O 3.32Å; V239-T253 WeakPolarHBondContact CA-O 3.42Å; E240-T253 PolarHBondContact N-O 3.36Å; T253-V266 HydrophobicContact CG2-CG1 3.71Å; T253-V266 HydrophobicContact CG2-CG2 3.99Å
254	Q	96.7	Very high	92.7	Very high	96 Å²	96	68.5 Å²	68.5	45%	0.449	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	139	172.6	-170.8	166.1	-72.3	0	0	111.8	E240 P242 V243	E240-Q254 CarbonylContact O-C 3.55Å; E240-Q254 WeakPolarHBondContact O-CA 3.27Å; P242-Q254 HydrophobicContact CB-CG 4.21Å; V243-Q254 HydrophobicContact CG2-CB 4.02Å
255	I	95.4	Very high	93	Very high	13 Å²	13	66.5 Å²	66.5	7%	0.067	40%	0.397	C	S	.	.			trans	-60.4	134.3	171.1	-59.9	-56.8	0	0	0	110.4	V239 E240 D241 P257 L261 F263	V239-I255 HydrophobicContact CG2-CD1 3.3Å; V239-I255 HydrophobicContact CG2-CG1 4.25Å; E240-I255 WeakPolarHBondContact O-CG1 3.45Å; E240-I255 PolarHBondContact O-N 2.83Å; D241-I255 HydrophobicContact CB-CB 4.09Å; D241-I255 HydrophobicContact CB-CG1 3.83Å; I255-P257 HydrophobicContact CG2-CG 3.94Å; I255-L261 WeakPolarHBondContact CA-O 3.47Å; I255-L261 WeakPolarHBondContact CG2-O 3.22Å; I255-F263 HydrophobicContact CD1-CB 4.29Å; I255-F263 HydrophobicContact CD1-CD1 3.95Å; I255-F263 HydrophobicContact CD1-CD2 3.85Å; I255-F263 HydrophobicContact CD1-CE1 4.22Å; I255-F263 HydrophobicContact CD1-CE2 4.13Å; I255-F263 HydrophobicContact CD1-CG 3.75Å; I255-F263 HydrophobicContact CD1-CZ 4.31Å; I255-F263 HydrophobicContact CG1-CD1 4.36Å; I255-F263 HydrophobicContact CG1-CD2 3.86Å; I255-F263 HydrophobicContact CG1-CE1 4.17Å; I255-F263 HydrophobicContact CG1-CE2 3.66Å; I255-F263 HydrophobicContact CG1-CG 4.22Å; I255-F263 HydrophobicContact CG1-CZ 3.82Å
256	H	93.3	Very high	93.6	Very high	96 Å²	96	65 Å²	65	44%	0.444	39%	0.389	S	S	.	.	B	Isolated β-bridge	trans	-142.1	83.6	175.9	-167.2	-71.8	0	0	0	109.8	R258 A259 G260 L261	H256-R258 VanDerWaalsContact C-N 3.28Å; H256-R258 PolarHBondContact O-N 2.84Å; H256-A259 HydrophobicContact CB-CB 4.32Å; H256-A259 WeakPolarHBondContact ND1-CB 3.39Å; H256-A259 PolarHBondContact ND1-N 3.26Å; H256-A259 VanDerWaalsContact ND1-N 3.14Å; H256-A259 PolarHBondContact O-N 3.27Å; H256-G260 PolarHBondContact O-N 2.95Å; H256-L261 HydrophobicContact CB-CB 4.05Å; H256-L261 HydrophobicContact CB-CD1 4.1Å; H256-L261 HydrophobicContact CB-CG 4.48Å; H256-L261 PolarHBondContact N-O 2.69Å; H256-L261 PolarHBondContact O-N 3.24Å; H256-L261 VanDerWaalsContact O-N 3.13Å
257	P	89.5	Confident	93.9	Very high	95 Å²	95	59.7 Å²	59.7	62%	0.617	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-59.9	-35.5	-169.3	-25.7	36.4	0	0	0	113.4	I255 A259 G260	I255-P257 HydrophobicContact CG2-CG 3.94Å; P257-A259 PolarHBondContact O-N 3.23Å; P257-G260 PolarHBondContact O-N 3.33Å
258	R	89.6	Confident	94.2	Very high	246 Å²	246	64.6 Å²	64.6	93%	0.928	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-65.2	-22.4	177.2	-67.3	-176.7	-177.7	171.2	1.8	113.8	H256	H256-R258 VanDerWaalsContact C-N 3.28Å; H256-R258 PolarHBondContact O-N 2.84Å
259	A	91.5	Very high	94.4	Very high	68 Å²	68	62.1 Å²	62.1	56%	0.562	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-100	4	175.7	0	0	0	0	0	111.9	H256 P257 L261	H256-A259 HydrophobicContact CB-CB 4.32Å; H256-A259 WeakPolarHBondContact ND1-CB 3.39Å; H256-A259 PolarHBondContact ND1-N 3.26Å; H256-A259 VanDerWaalsContact ND1-N 3.14Å; H256-A259 PolarHBondContact O-N 3.27Å; P257-A259 PolarHBondContact O-N 3.23Å; A259-L261 VanDerWaalsContact C-N 3.3Å; A259-L261 PolarHBondContact O-N 2.82Å
260	G	90.8	Very high	94.5	Very high	48 Å²	48	59.7 Å²	59.7	50%	0.495	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.9	7.5	-176.5	0	0	0	0	0	115	H256 P257 T262	H256-G260 PolarHBondContact O-N 2.95Å; P257-G260 PolarHBondContact O-N 3.33Å; G260-T262 VanDerWaalsContact C-N 3.33Å; G260-T262 PolarHBondContact O-N 2.92Å
261	L	93.1	Very high	94.5	Very high	76 Å²	76	61.7 Å²	61.7	40%	0.398	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-80.4	80.2	174.5	-65	178.6	0	0	0	109.7	I255 H256 A259 V266	I255-L261 WeakPolarHBondContact CA-O 3.47Å; I255-L261 WeakPolarHBondContact CG2-O 3.22Å; H256-L261 HydrophobicContact CB-CB 4.05Å; H256-L261 HydrophobicContact CB-CD1 4.1Å; H256-L261 HydrophobicContact CB-CG 4.48Å; H256-L261 PolarHBondContact N-O 2.69Å; H256-L261 PolarHBondContact O-N 3.24Å; H256-L261 VanDerWaalsContact O-N 3.13Å; A259-L261 VanDerWaalsContact C-N 3.3Å; A259-L261 PolarHBondContact O-N 2.82Å; L261-V266 HydrophobicContact CB-CG2 4.09Å; L261-V266 HydrophobicContact CD2-CG2 4.09Å
262	T	94.6	Very high	94.4	Very high	51 Å²	51	66 Å²	66	31%	0.313	35%	0.345	S	S	.	.			trans	-94	164.5	175.8	72.3	0	0	0	0	111.8	G260 Q264 G265 V266	G260-T262 VanDerWaalsContact C-N 3.33Å; G260-T262 PolarHBondContact O-N 2.92Å; T262-Q264 VanDerWaalsContact C-N 3.34Å; T262-Q264 PolarHBondContact O-N 2.85Å; T262-Q264 PolarHBondContact OG1-OE1 2.85Å; T262-G265 PolarHBondContact O-N 3.07Å; T262-G265 PolarHBondContact OG1-N 3.18Å; T262-G265 VanDerWaalsContact OG1-N 3.17Å; T262-V266 WeakPolarHBondContact O-CB 3.38Å; T262-V266 VanDerWaalsContact O-CG2 3.3Å; T262-V266 WeakPolarHBondContact O-CG2 3.28Å; T262-V266 PolarHBondContact O-N 2.9Å
263	F	94.3	Very high	94.3	Very high	18 Å²	18	69.6 Å²	69.6	8%	0.079	36%	0.362	C	S	.	.	H	α-helix	trans	-53.9	-49.3	176.5	-86.1	-77.1	0	0	0	111.9	V239 D241 I255 L267 I280 E282	V239-F263 HydrophobicContact CG1-CD1 4.13Å; V239-F263 HydrophobicContact CG1-CE1 4.47Å; V239-F263 HydrophobicContact CG2-CD1 3.76Å; V239-F263 HydrophobicContact CG2-CE1 4.1Å; D241-F263 HydrophobicContact CB-CE2 3.7Å; D241-F263 HydrophobicContact CB-CZ 3.62Å; I255-F263 HydrophobicContact CD1-CB 4.29Å; I255-F263 HydrophobicContact CD1-CD1 3.95Å; I255-F263 HydrophobicContact CD1-CD2 3.85Å; I255-F263 HydrophobicContact CD1-CE1 4.22Å; I255-F263 HydrophobicContact CD1-CE2 4.13Å; I255-F263 HydrophobicContact CD1-CG 3.75Å; I255-F263 HydrophobicContact CD1-CZ 4.31Å; I255-F263 HydrophobicContact CG1-CD1 4.36Å; I255-F263 HydrophobicContact CG1-CD2 3.86Å; I255-F263 HydrophobicContact CG1-CE1 4.17Å; I255-F263 HydrophobicContact CG1-CE2 3.66Å; I255-F263 HydrophobicContact CG1-CG 4.22Å; I255-F263 HydrophobicContact CG1-CZ 3.82Å; F263-L267 WeakPolarHBondContact O-CB 3.5Å; F263-L267 PolarHBondContact O-N 3.33Å; F263-I280 HydrophobicContact CD1-CG2 4.22Å; F263-I280 HydrophobicContact CE1-CG2 4.42Å; F263-E282 HydrophobicContact CZ-CG 4.44Å
264	Q	94.4	Very high	94.3	Very high	44 Å²	44	74.4 Å²	74.4	21%	0.206	39%	0.385	C	S	.	.	H	α-helix	trans	-66.8	-41.5	-179.9	-49.5	108.2	-38.8	0	0	112	T262 R268 E287 I291	T262-Q264 VanDerWaalsContact C-N 3.34Å; T262-Q264 PolarHBondContact O-N 2.85Å; T262-Q264 PolarHBondContact OG1-OE1 2.85Å; Q264-R268 WeakPolarHBondContact O-CB 3.43Å; Q264-R268 VanDerWaalsContact O-CG 3.3Å; Q264-R268 WeakPolarHBondContact O-CG 3.31Å; Q264-R268 PolarHBondContact O-N 3.36Å; Q264-E287 HydrophobicContact CG-CB 4.45Å; Q264-E287 HydrophobicContact CG-CG 4.08Å; Q264-E287 PolarHBondContact NE2-OE2 3.47Å; Q264-I291 HydrophobicContact CB-CD1 4.16Å
265	G	94.5	Very high	94.3	Very high	35 Å²	35	70.1 Å²	70.1	36%	0.361	37%	0.366	S	S	.	.	H	α-helix	trans	-64	-48.7	-178.6	0	0	0	0	0	112	T262 A269	T262-G265 PolarHBondContact O-N 3.07Å; T262-G265 PolarHBondContact OG1-N 3.18Å; T262-G265 VanDerWaalsContact OG1-N 3.17Å; G265-A269 PolarHBondContact O-N 2.88Å; G265-A269 VanDerWaalsContact O-N 3.1Å
266	V	96.4	Very high	94.5	Very high	9 Å²	9	73 Å²	73	6%	0.055	38%	0.382	C	S	.	.	H	α-helix	trans	-65	-48.4	177.3	175.1	0	0	0	0	110.2	V239 T253 L261 T262 R268 A269 L270	V239-V266 HydrophobicContact CB-CB 4.35Å; V239-V266 HydrophobicContact CB-CG1 3.72Å; V239-V266 HydrophobicContact CG2-CB 3.77Å; V239-V266 HydrophobicContact CG2-CG1 3.63Å; V239-V266 HydrophobicContact CG2-CG2 4.38Å; T253-V266 HydrophobicContact CG2-CG1 3.71Å; T253-V266 HydrophobicContact CG2-CG2 3.99Å; L261-V266 HydrophobicContact CB-CG2 4.09Å; L261-V266 HydrophobicContact CD2-CG2 4.09Å; T262-V266 WeakPolarHBondContact O-CB 3.38Å; T262-V266 VanDerWaalsContact O-CG2 3.3Å; T262-V266 WeakPolarHBondContact O-CG2 3.28Å; T262-V266 PolarHBondContact O-N 2.9Å; V266-R268 VanDerWaalsContact C-N 3.32Å; V266-R268 PolarHBondContact O-N 3.27Å; V266-A269 CarbonylContact O-C 3.6Å; V266-A269 WeakPolarHBondContact O-CA 3.49Å; V266-A269 WeakPolarHBondContact O-CB 3.48Å; V266-A269 PolarHBondContact O-N 3.15Å; V266-L270 HydrophobicContact CG1-CD1 4.27Å; V266-L270 HydrophobicContact CG1-CG 4.17Å; V266-L270 WeakPolarHBondContact O-CG 3.41Å; V266-L270 PolarHBondContact O-N 3.33Å
267	L	95.9	Very high	94.7	Very high	1 Å²	1	68.7 Å²	68.7	1%	0.005	36%	0.362	C	S	.	.	H	α-helix	trans	-59.3	-40.9	-179.4	-176.8	59	0	0	0	112.4	F263 A269 L270 L271 I278 I280 T288 I291	F263-L267 WeakPolarHBondContact O-CB 3.5Å; F263-L267 PolarHBondContact O-N 3.33Å; L267-A269 VanDerWaalsContact C-N 3.29Å; L267-A269 PolarHBondContact O-N 2.83Å; L267-L270 PolarHBondContact O-N 3.37Å; L267-L271 PolarHBondContact O-N 2.77Å; L267-I278 HydrophobicContact CD1-CG2 3.69Å; L267-I280 HydrophobicContact CD1-CD1 3.86Å; L267-I280 HydrophobicContact CD1-CG1 3.97Å; L267-I280 HydrophobicContact CD2-CD1 3.65Å; L267-I280 HydrophobicContact CD2-CG1 4.35Å; L267-I280 HydrophobicContact CG-CD1 4.42Å; L267-T288 HydrophobicContact CD2-CG2 4.35Å; L267-I291 HydrophobicContact CB-CG2 4.43Å; L267-I291 HydrophobicContact CD2-CB 3.7Å; L267-I291 HydrophobicContact CD2-CG2 3.51Å; L267-I291 HydrophobicContact CG-CB 4.3Å; L267-I291 HydrophobicContact CG-CG2 3.54Å
268	R	95.5	Very high	95.1	Very high	116 Å²	116	64.2 Å²	64.2	44%	0.438	33%	0.333	S	S	.	.	H	α-helix	trans	-65.4	-31.2	172.6	-75.2	178.8	-177.5	150.5	6.4	113.2	Q264 V266 R272 E287 I291	Q264-R268 WeakPolarHBondContact O-CB 3.43Å; Q264-R268 VanDerWaalsContact O-CG 3.3Å; Q264-R268 WeakPolarHBondContact O-CG 3.31Å; Q264-R268 PolarHBondContact O-N 3.36Å; V266-R268 VanDerWaalsContact C-N 3.32Å; V266-R268 PolarHBondContact O-N 3.27Å; R268-R272 PolarHBondContact O-NH1 3.3Å; R268-E287 IonicContact CZ-OE1 3.54Å; R268-E287 IonicContact NH1-OE1 3.79Å; R268-E287 IonicContact NH2-OE1 2.71Å; R268-E287 PolarHBondContact NH2-OE1 3.31Å; R268-I291 HydrophobicContact CG-CD1 4.02Å
269	A	96.1	Very high	95.6	Very high	38 Å²	38	52.7 Å²	52.7	31%	0.314	29%	0.29	S	S	.	.	H	α-helix	trans	-73.1	-42	176.3	0	0	0	0	0	110.9	G265 V266 L267 L271 R272	G265-A269 PolarHBondContact O-N 2.88Å; G265-A269 VanDerWaalsContact O-N 3.1Å; V266-A269 CarbonylContact O-C 3.6Å; V266-A269 WeakPolarHBondContact O-CA 3.49Å; V266-A269 WeakPolarHBondContact O-CB 3.48Å; V266-A269 PolarHBondContact O-N 3.15Å; L267-A269 VanDerWaalsContact C-N 3.29Å; L267-A269 PolarHBondContact O-N 2.83Å; A269-L271 PolarHBondContact O-N 2.89Å; A269-R272 PolarHBondContact O-N 2.97Å
270	L	96.1	Very high	95.9	Very high	10 Å²	10	49.4 Å²	49.4	5%	0.052	26%	0.263	C	S	.	.	H	α-helix	trans	-55.8	-38.1	177.5	-69.3	-176.1	0	0	0	112.1	C237 V266 L267 R272 Q273 P275 I278	C237-L270 HydrophobicContact CB-CD1 4Å; C237-L270 HydrophobicContact CB-CD2 3.65Å; C237-L270 HydrophobicContact CB-CG 4.32Å; V266-L270 HydrophobicContact CG1-CD1 4.27Å; V266-L270 HydrophobicContact CG1-CG 4.17Å; V266-L270 WeakPolarHBondContact O-CG 3.41Å; V266-L270 PolarHBondContact O-N 3.33Å; L267-L270 PolarHBondContact O-N 3.37Å; L270-R272 PolarHBondContact O-N 3.04Å; L270-Q273 HydrophobicContact CD2-CG 4.49Å; L270-Q273 WeakPolarHBondContact O-CB 3.16Å; L270-Q273 PolarHBondContact O-N 3.35Å; L270-P275 WeakPolarHBondContact O-CD 3.44Å; L270-P275 VanDerWaalsContact O-CG 3.24Å; L270-P275 WeakPolarHBondContact O-CG 3.47Å; L270-I278 HydrophobicContact CD1-CG2 4.24Å
271	L	94.9	Very high	96.2	Very high	60 Å²	60	48.1 Å²	48.1	31%	0.314	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-9.1	175.4	-66.3	174.1	0	0	0	115.2	L267 A269 I278 I291 A295	L267-L271 PolarHBondContact O-N 2.77Å; A269-L271 PolarHBondContact O-N 2.89Å; L271-I278 HydrophobicContact CD2-CD1 3.78Å; L271-I291 HydrophobicContact CD1-CG2 3.98Å; L271-A295 HydrophobicContact CD2-CB 3.65Å
272	R	95.2	Very high	96.3	Very high	181 Å²	181	46 Å²	46	68%	0.683	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.5	16.8	172.1	-62.2	-173	-60.2	-70.3	-5.6	112.2	R268 A269 L270	R268-R272 PolarHBondContact O-NH1 3.3Å; A269-R272 PolarHBondContact O-N 2.97Å; L270-R272 PolarHBondContact O-N 3.04Å
273	Q	96.4	Very high	96.5	Very high	119 Å²	119	44.1 Å²	44.1	56%	0.556	23%	0.225	S	C	*	.	S	Bend	trans	-108.1	14.9	177.7	-64.1	-61.1	-82	0	0	112.5	N235 L270 P275	N235-Q273 PolarHBondContact ND2-O 2.91Å; L270-Q273 HydrophobicContact CD2-CG 4.49Å; L270-Q273 WeakPolarHBondContact O-CB 3.16Å; L270-Q273 PolarHBondContact O-N 3.35Å; Q273-P275 VanDerWaalsContact C-CD 3.42Å
274	D	96.2	Very high	96.5	Very high	142 Å²	142	49.1 Å²	49.1	76%	0.759	24%	0.243	S	C	*	.			trans	52.1	46.7	-177.1	-161.1	38.1	0	0	0	114	N235	N235-D274 PolarHBondContact ND2-O 3.26Å
275	P	97.4	Very high	96.5	Very high	6 Å²	6	49.8 Å²	49.8	4%	0.039	25%	0.248	C	C	.	.			trans	-78.7	141.2	-179.2	31.3	-30.8	0	0	0	111.1	C237 L270 Q273 I278 H300	C237-P275 HydrophobicContact CB-CB 4.25Å; L270-P275 WeakPolarHBondContact O-CD 3.44Å; L270-P275 VanDerWaalsContact O-CG 3.24Å; L270-P275 WeakPolarHBondContact O-CG 3.47Å; Q273-P275 VanDerWaalsContact C-CD 3.42Å; P275-I278 HydrophobicContact CB-CD1 4.46Å; P275-I278 HydrophobicContact CB-CG1 3.87Å; P275-I278 HydrophobicContact CG-CD1 3.81Å; P275-I278 HydrophobicContact CG-CG1 3.77Å; P275-H300 PolarHBondContact O-CD2 3.25Å; P275-H300 PolarHBondContact O-NE2 2.83Å
276	D	98	Very high	96.6	Very high	75 Å²	75	49.1 Å²	49.1	40%	0.401	24%	0.242	S	C	.	.	S	Bend	trans	-85.9	-40.2	166.4	-60.8	-72.2	0	0	0	110.2	I234 N235 L301	I234-D276 HydrophobicContact CG2-CB 3.86Å; N235-D276 PolarHBondContact N-OD2 2.83Å; N235-D276 PolarHBondContact O-N 2.84Å; D276-L301 PolarHBondContact O-N 2.9Å
277	V	98.5	Very high	96.5	Very high	5 Å²	5	52.4 Å²	52.4	3%	0.03	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	129.6	-178.2	-175.1	0	0	0	0	109.9	L226 L229 I234 N235 I236 C237 L301 L303	L226-V277 HydrophobicContact CD2-CG1 4.12Å; L229-V277 HydrophobicContact CD1-CG1 4.12Å; L229-V277 HydrophobicContact CD1-CG2 4.15Å; I234-V277 HydrophobicContact CG2-CG2 3.74Å; N235-V277 PolarHBondContact O-N 2.92Å; I236-V277 HydrophobicContact CB-CB 4.5Å; I236-V277 HydrophobicContact CG1-CB 4.12Å; I236-V277 HydrophobicContact CG1-CG2 4.37Å; I236-V277 HydrophobicContact CG2-CB 4.33Å; I236-V277 HydrophobicContact CG2-CG1 4.4Å; C237-V277 PolarHBondContact N-O 2.84Å; V277-L301 CarbonylContact C-O 3.44Å; V277-L301 VanDerWaalsContact CA-O 3.31Å; V277-L301 WeakPolarHBondContact CA-O 3.3Å; V277-L301 HydrophobicContact CG2-CB 4.31Å; V277-L301 HydrophobicContact CG2-CD2 4.3Å; V277-L303 HydrophobicContact CG1-CG 4.47Å
278	I	98.5	Very high	96.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	124.4	175.5	-59	173.7	0	0	0	109.1	C237 L267 L270 L271 P275 I280 A295 H300 L301 V302 L303	C237-I278 CarbonylContact O-C 3.56Å; C237-I278 WeakPolarHBondContact O-CA 3.44Å; L267-I278 HydrophobicContact CD1-CG2 3.69Å; L270-I278 HydrophobicContact CD1-CG2 4.24Å; L271-I278 HydrophobicContact CD2-CD1 3.78Å; P275-I278 HydrophobicContact CB-CD1 4.46Å; P275-I278 HydrophobicContact CB-CG1 3.87Å; P275-I278 HydrophobicContact CG-CD1 3.81Å; P275-I278 HydrophobicContact CG-CG1 3.77Å; I278-I280 HydrophobicContact CG2-CG1 4.17Å; I278-A295 HydrophobicContact CD1-CB 4.19Å; I278-H300 HydrophobicContact CD1-CB 4.26Å; I278-L301 PolarHBondContact N-O 3.12Å; I278-V302 HydrophobicContact CB-CG2 4.46Å; I278-V302 CarbonylContact O-C 3.58Å; I278-V302 VanDerWaalsContact O-CA 3.29Å; I278-V302 WeakPolarHBondContact O-CA 3.35Å; I278-L303 PolarHBondContact O-N 2.95Å
279	M	98.4	Very high	96.6	Very high	4 Å²	4	47 Å²	47	2%	0.02	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	125.8	169.7	-168	-84.4	-80.4	0	0	111.6	L222 Y223 L226 C237 S238 V239 E240 L303	L222-M279 HydrophobicContact CD1-CG 4.08Å; L222-M279 HydrophobicContact CD1-SD 4.01Å; Y223-M279 HydrophobicContact CD1-CE 4.3Å; Y223-M279 HydrophobicContact CE1-CE 3.73Å; L226-M279 HydrophobicContact CD1-CB 4.03Å; L226-M279 HydrophobicContact CD1-CE 3.98Å; L226-M279 HydrophobicContact CD1-CG 4.05Å; L226-M279 HydrophobicContact CD2-CB 4.11Å; C237-M279 PolarHBondContact O-N 3.32Å; S238-M279 CarbonylContact C-O 3.47Å; S238-M279 WeakPolarHBondContact CA-O 3.28Å; V239-M279 PolarHBondContact N-O 2.97Å; E240-M279 HydrophobicContact CG-CE 3.7Å; E240-M279 HydrophobicContact CG-SD 4.45Å; E240-M279 WeakPolarHBondContact OE1-CE 3.45Å; M279-L303 CarbonylContact C-O 3.51Å; M279-L303 WeakPolarHBondContact CA-O 3.28Å; M279-L303 HydrophobicContact CB-CB 4.48Å; M279-L303 HydrophobicContact CG-CB 4.16Å
280	I	98.3	Very high	96.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	118.7	176.2	-53.7	167.5	0	0	0	107.2	V239 F263 L267 I278 E282 T288 A292 V302 L303 S304	V239-I280 HydrophobicContact CG1-CB 4.31Å; V239-I280 HydrophobicContact CG1-CG1 4.2Å; V239-I280 HydrophobicContact CG1-CG2 4.16Å; F263-I280 HydrophobicContact CD1-CG2 4.22Å; F263-I280 HydrophobicContact CE1-CG2 4.42Å; L267-I280 HydrophobicContact CD1-CD1 3.86Å; L267-I280 HydrophobicContact CD1-CG1 3.97Å; L267-I280 HydrophobicContact CD2-CD1 3.65Å; L267-I280 HydrophobicContact CD2-CG1 4.35Å; L267-I280 HydrophobicContact CG-CD1 4.42Å; I278-I280 HydrophobicContact CG2-CG1 4.17Å; I280-E282 PolarHBondContact O-N 2.82Å; I280-E282 VanDerWaalsContact O-N 3.13Å; I280-T288 HydrophobicContact CG2-CG2 4.18Å; I280-A292 HydrophobicContact CD1-CB 3.38Å; I280-V302 HydrophobicContact CD1-CG1 3.93Å; I280-V302 HydrophobicContact CG1-CG1 4.48Å; I280-L303 PolarHBondContact N-O 2.7Å; I280-S304 VanDerWaalsContact O-CA 3.31Å; I280-S304 WeakPolarHBondContact O-CA 3.32Å; I280-S304 PolarHBondContact O-OG 3.46Å
281	G	97.1	Very high	96.7	Very high	20 Å²	20	49.2 Å²	49.2	21%	0.206	24%	0.24	C	C	.	.	S	Bend	trans	-50.8	-43.7	-176.3	0	0	0	0	0	112.4	V239 T305	V239-G281 PolarHBondContact O-N 2.89Å; G281-T305 WeakPolarHBondContact O-CG2 3.38Å; G281-T305 PolarHBondContact O-OG1 3.47Å
282	E	96.5	Very high	96.8	Very high	33 Å²	33	46.3 Å²	46.3	15%	0.154	23%	0.225	C	C	.	.			trans	-160.8	152.8	168.6	54.7	-177.9	154.6	0	0	113	F263 I280 R284 T305 H307	F263-E282 HydrophobicContact CZ-CG 4.44Å; I280-E282 PolarHBondContact O-N 2.82Å; I280-E282 VanDerWaalsContact O-N 3.13Å; E282-R284 HydrophobicContact CG-CG 3.85Å; E282-R284 IonicContact OE1-CZ 3.55Å; E282-R284 IonicContact OE1-NE 2.72Å; E282-R284 PolarHBondContact OE1-NE 3.24Å; E282-R284 IonicContact OE1-NH2 2.9Å; E282-R284 PolarHBondContact OE1-NH2 2.86Å; E282-R284 IonicContact OE2-NE 2.7Å; E282-T305 WeakPolarHBondContact CA-O 3.23Å; E282-T305 WeakPolarHBondContact CB-OG1 3.29Å; E282-H307 IonicContact OE2-CD2 3.38Å; E282-H307 PolarHBondContact OE2-CD2 3.5Å; E282-H307 IonicContact OE2-CE1 2.78Å; E282-H307 IonicContact OE2-NE2 3.82Å; E282-H307 PolarHBondContact OE2-NE2 3.49Å
283	I	97.5	Very high	96.9	Very high	10 Å²	10	37.8 Å²	37.8	5%	0.051	19%	0.193	C	C	.	.			trans	-95.6	104.9	170.9	-73.6	158.8	0	0	0	108.6	L209 T288 A289 A292 S304 T305 L306 M321	L209-I283 HydrophobicContact CD2-CD1 4.13Å; I283-T288 HydrophobicContact CG1-CG2 4.25Å; I283-A289 HydrophobicContact CG2-CB 3.61Å; I283-A292 HydrophobicContact CD1-CB 4.13Å; I283-S304 VanDerWaalsContact CD1-OG 3.28Å; I283-S304 WeakPolarHBondContact CD1-OG 3.49Å; I283-S304 VanDerWaalsContact CG1-OG 3.27Å; I283-S304 WeakPolarHBondContact CG1-OG 3.21Å; I283-T305 PolarHBondContact N-O 2.98Å; I283-L306 HydrophobicContact CB-CD1 4.18Å; I283-L306 HydrophobicContact CB-CG 4.29Å; I283-L306 HydrophobicContact CD1-CD1 4.22Å; I283-M321 HydrophobicContact CG2-CE 3.56Å; I283-M321 HydrophobicContact CG2-SD 4.45Å
284	R	94.8	Very high	96.9	Very high	123 Å²	123	36.7 Å²	36.7	46%	0.464	19%	0.186	S	C	.	.			trans	-95.2	-32	-179.3	-63	-173.8	179.9	158.9	6.5	113.7	D241 E282 M321	D241-R284 IonicContact OD2-CZ 2.64Å; D241-R284 IonicContact OD2-NH1 2.61Å; D241-R284 PolarHBondContact OD2-NH1 3.06Å; D241-R284 IonicContact OD2-NH2 3.03Å; D241-R284 PolarHBondContact OD2-NH2 2.8Å; E282-R284 HydrophobicContact CG-CG 3.85Å; E282-R284 IonicContact OE1-CZ 3.55Å; E282-R284 IonicContact OE1-NE 2.72Å; E282-R284 PolarHBondContact OE1-NE 3.24Å; E282-R284 IonicContact OE1-NH2 2.9Å; E282-R284 PolarHBondContact OE1-NH2 2.86Å; E282-R284 IonicContact OE2-NE 2.7Å; R284-M321 VanDerWaalsContact C-CE 3.44Å; R284-M321 WeakPolarHBondContact O-CE 3.47Å
285	D	94.9	Very high	96.9	Very high	58 Å²	58	29.9 Å²	29.9	31%	0.31	15%	0.15	S	C	.	.	S	Bend	trans	-134.7	164.2	-172.7	55.9	62.3	0	0	0	113	E287 T288 A289 M321	D285-E287 VanDerWaalsContact C-N 3.31Å; D285-E287 PolarHBondContact O-N 3.29Å; D285-E287 PolarHBondContact OD1-N 2.82Å; D285-T288 PolarHBondContact O-N 3.4Å; D285-T288 VanDerWaalsContact OD1-CB 3.24Å; D285-T288 WeakPolarHBondContact OD1-CB 3.44Å; D285-T288 PolarHBondContact OD1-N 3.28Å; D285-T288 PolarHBondContact OD1-OG1 3.46Å; D285-T288 PolarHBondContact OD2-OG1 2.98Å; D285-A289 PolarHBondContact O-N 3Å; D285-M321 VanDerWaalsContact N-CE 3.28Å; D285-M321 WeakPolarHBondContact O-CE 3.27Å
286	G	95.5	Very high	97	Very high	22 Å²	22	29.7 Å²	29.7	23%	0.227	15%	0.149	C	C	.	.	H	α-helix	trans	-64.3	-32.6	-176.9	0	0	0	0	0	113.8	A289 E290 M321	G286-A289 PolarHBondContact O-N 3.43Å; G286-E290 WeakPolarHBondContact O-CB 3.38Å; G286-E290 PolarHBondContact O-N 2.84Å; G286-M321 WeakPolarHBondContact CA-O 3.32Å
287	E	95.9	Very high	96.9	Very high	78 Å²	78	28.7 Å²	28.7	36%	0.364	14%	0.142	S	C	.	.	H	α-helix	trans	-67.2	-46.3	178.7	-173.2	-179	-166.3	0	0	111	Q264 R268 D285 A289 E290 I291	Q264-E287 HydrophobicContact CG-CB 4.45Å; Q264-E287 HydrophobicContact CG-CG 4.08Å; Q264-E287 PolarHBondContact NE2-OE2 3.47Å; R268-E287 IonicContact CZ-OE1 3.54Å; R268-E287 IonicContact NH1-OE1 3.79Å; R268-E287 IonicContact NH2-OE1 2.71Å; R268-E287 PolarHBondContact NH2-OE1 3.31Å; D285-E287 VanDerWaalsContact C-N 3.31Å; D285-E287 PolarHBondContact O-N 3.29Å; D285-E287 PolarHBondContact OD1-N 2.82Å; E287-A289 VanDerWaalsContact C-N 3.32Å; E287-A289 PolarHBondContact O-N 2.84Å; E287-E290 PolarHBondContact O-N 2.87Å; E287-I291 HydrophobicContact CG-CD1 4.24Å; E287-I291 VanDerWaalsContact O-CG1 3.29Å; E287-I291 WeakPolarHBondContact O-CG1 2.84Å; E287-I291 PolarHBondContact O-N 3.05Å
288	T	96.4	Very high	96.7	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.012	17%	0.167	C	C	.	.	H	α-helix	trans	-61.3	-43.1	174.3	-55.8	0	0	0	0	110.7	L267 I280 I283 D285 E290 I291 A292	L267-T288 HydrophobicContact CD2-CG2 4.35Å; I280-T288 HydrophobicContact CG2-CG2 4.18Å; I283-T288 HydrophobicContact CG1-CG2 4.25Å; D285-T288 PolarHBondContact O-N 3.4Å; D285-T288 VanDerWaalsContact OD1-CB 3.24Å; D285-T288 WeakPolarHBondContact OD1-CB 3.44Å; D285-T288 PolarHBondContact OD1-N 3.28Å; D285-T288 PolarHBondContact OD1-OG1 3.46Å; D285-T288 PolarHBondContact OD2-OG1 2.98Å; T288-E290 PolarHBondContact O-N 2.99Å; T288-I291 PolarHBondContact O-N 3.48Å; T288-A292 WeakPolarHBondContact O-CB 3.42Å; T288-A292 PolarHBondContact O-N 3.27Å
289	A	96.9	Very high	96.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.3	-44.6	176.7	0	0	0	0	0	112.1	I283 D285 G286 E287 A292 I293 L318 M321 V323	I283-A289 HydrophobicContact CG2-CB 3.61Å; D285-A289 PolarHBondContact O-N 3Å; G286-A289 PolarHBondContact O-N 3.43Å; E287-A289 VanDerWaalsContact C-N 3.32Å; E287-A289 PolarHBondContact O-N 2.84Å; A289-A292 PolarHBondContact O-N 3.44Å; A289-I293 WeakPolarHBondContact O-CB 3.39Å; A289-I293 WeakPolarHBondContact O-CD1 3.47Å; A289-I293 VanDerWaalsContact O-CG1 3.28Å; A289-I293 WeakPolarHBondContact O-CG1 3.27Å; A289-I293 PolarHBondContact O-N 3.43Å; A289-L318 HydrophobicContact CB-CD2 4.31Å; A289-M321 HydrophobicContact CB-CE 4.43Å; A289-V323 HydrophobicContact CB-CG2 3.66Å
290	E	96.2	Very high	96.5	Very high	79 Å²	79	35.7 Å²	35.7	37%	0.369	19%	0.191	S	C	.	.	H	α-helix	trans	-64.2	-43.2	179.8	-171.5	-177	175.3	0	0	111.7	G286 E287 T288 I293 K294	G286-E290 WeakPolarHBondContact O-CB 3.38Å; G286-E290 PolarHBondContact O-N 2.84Å; E287-E290 PolarHBondContact O-N 2.87Å; T288-E290 PolarHBondContact O-N 2.99Å; E290-I293 PolarHBondContact O-N 3.28Å; E290-K294 HydrophobicContact CG-CD 4.33Å; E290-K294 WeakPolarHBondContact O-CB 3.37Å; E290-K294 WeakPolarHBondContact O-CG 3.48Å; E290-K294 PolarHBondContact O-N 3Å; E290-K294 VanDerWaalsContact OE1-CE 3.26Å; E290-K294 WeakPolarHBondContact OE1-CE 3.3Å; E290-K294 IonicContact OE1-NZ 2.64Å; E290-K294 PolarHBondContact OE1-NZ 2.79Å
291	I	96.5	Very high	96.6	Very high	16 Å²	16	36 Å²	36	8%	0.082	19%	0.192	C	C	.	.	H	α-helix	trans	-65.3	-43.5	177.1	-59	159.9	0	0	0	110.6	Q264 L267 R268 L271 E287 T288 I293 K294 A295	Q264-I291 HydrophobicContact CB-CD1 4.16Å; L267-I291 HydrophobicContact CB-CG2 4.43Å; L267-I291 HydrophobicContact CD2-CB 3.7Å; L267-I291 HydrophobicContact CD2-CG2 3.51Å; L267-I291 HydrophobicContact CG-CB 4.3Å; L267-I291 HydrophobicContact CG-CG2 3.54Å; R268-I291 HydrophobicContact CG-CD1 4.02Å; L271-I291 HydrophobicContact CD1-CG2 3.98Å; E287-I291 HydrophobicContact CG-CD1 4.24Å; E287-I291 VanDerWaalsContact O-CG1 3.29Å; E287-I291 WeakPolarHBondContact O-CG1 2.84Å; E287-I291 PolarHBondContact O-N 3.05Å; T288-I291 PolarHBondContact O-N 3.48Å; I291-I293 VanDerWaalsContact C-N 3.32Å; I291-I293 PolarHBondContact O-N 3.15Å; I291-K294 PolarHBondContact O-N 3.33Å; I291-A295 WeakPolarHBondContact O-CB 3.43Å; I291-A295 PolarHBondContact O-N 2.71Å
292	A	97.5	Very high	96.6	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59.4	-43.1	178.3	0	0	0	0	0	112.1	I280 I283 T288 A289 A295 A296 V302	I280-A292 HydrophobicContact CD1-CB 3.38Å; I283-A292 HydrophobicContact CD1-CB 4.13Å; T288-A292 WeakPolarHBondContact O-CB 3.42Å; T288-A292 PolarHBondContact O-N 3.27Å; A289-A292 PolarHBondContact O-N 3.44Å; A292-A295 WeakPolarHBondContact O-CB 3.35Å; A292-A295 PolarHBondContact O-N 3.3Å; A292-A296 WeakPolarHBondContact O-CB 3.32Å; A292-A296 PolarHBondContact O-N 2.82Å; A292-V302 HydrophobicContact CB-CG1 4.29Å
293	I	97.2	Very high	96.7	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-68.2	-43.3	178.6	-76.5	170.7	0	0	0	111.5	L207 A289 E290 I291 A295 A296 Q297 V323 M327 L328 A331	L207-I293 HydrophobicContact CD2-CG1 3.8Å; A289-I293 WeakPolarHBondContact O-CB 3.39Å; A289-I293 WeakPolarHBondContact O-CD1 3.47Å; A289-I293 VanDerWaalsContact O-CG1 3.28Å; A289-I293 WeakPolarHBondContact O-CG1 3.27Å; A289-I293 PolarHBondContact O-N 3.43Å; E290-I293 PolarHBondContact O-N 3.28Å; I291-I293 VanDerWaalsContact C-N 3.32Å; I291-I293 PolarHBondContact O-N 3.15Å; I293-A295 VanDerWaalsContact C-N 3.3Å; I293-A295 PolarHBondContact O-N 3.23Å; I293-A296 PolarHBondContact O-N 2.71Å; I293-Q297 VanDerWaalsContact O-CG 3.31Å; I293-Q297 WeakPolarHBondContact O-CG 3.49Å; I293-Q297 PolarHBondContact O-N 3.47Å; I293-V323 HydrophobicContact CD1-CB 4.28Å; I293-V323 HydrophobicContact CD1-CG1 3.23Å; I293-V323 HydrophobicContact CD1-CG2 4.06Å; I293-M327 HydrophobicContact CG2-CB 3.81Å; I293-M327 HydrophobicContact CG2-SD 4.46Å; I293-L328 HydrophobicContact CD1-CD2 3.79Å; I293-A331 HydrophobicContact CB-CB 4.33Å; I293-A331 HydrophobicContact CG1-CB 4.34Å; I293-A331 HydrophobicContact CG2-CB 3.81Å
294	K	96.5	Very high	96.8	Very high	96 Å²	96	33 Å²	33	42%	0.417	17%	0.173	S	C	.	.	H	α-helix	trans	-60.6	-42.2	175.2	-75.4	174.2	-176.5	170.2	0	111.1	E290 I291 Q297 T298	E290-K294 HydrophobicContact CG-CD 4.33Å; E290-K294 WeakPolarHBondContact O-CB 3.37Å; E290-K294 WeakPolarHBondContact O-CG 3.48Å; E290-K294 PolarHBondContact O-N 3Å; E290-K294 VanDerWaalsContact OE1-CE 3.26Å; E290-K294 WeakPolarHBondContact OE1-CE 3.3Å; E290-K294 IonicContact OE1-NZ 2.64Å; E290-K294 PolarHBondContact OE1-NZ 2.79Å; I291-K294 PolarHBondContact O-N 3.33Å; K294-Q297 PolarHBondContact O-N 3.1Å; K294-T298 WeakPolarHBondContact O-CB 3.44Å; K294-T298 VanDerWaalsContact O-CG2 3.3Å; K294-T298 WeakPolarHBondContact O-CG2 3.46Å; K294-T298 PolarHBondContact O-N 3.31Å; K294-T298 PolarHBondContact O-OG1 2.91Å
295	A	97.3	Very high	96.9	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-57.8	-49.4	174.1	0	0	0	0	0	111.4	L271 I278 I291 A292 I293 Q297 T298 H300 V302	L271-A295 HydrophobicContact CD2-CB 3.65Å; I278-A295 HydrophobicContact CD1-CB 4.19Å; I291-A295 WeakPolarHBondContact O-CB 3.43Å; I291-A295 PolarHBondContact O-N 2.71Å; A292-A295 WeakPolarHBondContact O-CB 3.35Å; A292-A295 PolarHBondContact O-N 3.3Å; I293-A295 VanDerWaalsContact C-N 3.3Å; I293-A295 PolarHBondContact O-N 3.23Å; A295-Q297 PolarHBondContact O-N 2.8Å; A295-T298 WeakPolarHBondContact CA-OG1 3.29Å; A295-T298 CarbonylContact O-C 3.57Å; A295-T298 PolarHBondContact O-N 3.37Å; A295-T298 PolarHBondContact O-OG1 2.96Å; A295-H300 HydrophobicContact CB-CB 4.49Å; A295-H300 WeakPolarHBondContact O-CB 3.37Å; A295-H300 PolarHBondContact O-N 3.04Å; A295-H300 PolarHBondContact O-ND1 2.85Å; A295-H300 VanDerWaalsContact O-ND1 3.16Å; A295-V302 HydrophobicContact CB-CG2 3.8Å
296	A	97.8	Very high	97.1	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.008	14%	0.138	C	C	.	.	H	α-helix	trans	-61.4	-28.2	177	0	0	0	0	0	114.2	Q205 G206 L207 A292 I293 H300 V302 A331	Q205-A296 PolarHBondContact NE2-O 3.3Å; G206-A296 PolarHBondContact N-O 2.78Å; L207-A296 HydrophobicContact CB-CB 3.8Å; A292-A296 WeakPolarHBondContact O-CB 3.32Å; A292-A296 PolarHBondContact O-N 2.82Å; I293-A296 PolarHBondContact O-N 2.71Å; A296-H300 WeakPolarHBondContact CA-O 3.14Å; A296-V302 HydrophobicContact CB-CB 4.24Å; A296-V302 HydrophobicContact CB-CG2 3.88Å; A296-A331 HydrophobicContact CB-CB 4.13Å
297	Q	96.3	Very high	97.1	Very high	55 Å²	55	28.2 Å²	28.2	26%	0.257	15%	0.148	S	C	.	.	H	α-helix	trans	-81.7	-21.6	174.7	-71.9	170.8	-23.2	0	0	113.2	Q205 I293 K294 A295 S330 A331	Q205-Q297 VanDerWaalsContact NE2-C 3.27Å; Q205-Q297 PolarHBondContact NE2-O 3.38Å; I293-Q297 VanDerWaalsContact O-CG 3.31Å; I293-Q297 WeakPolarHBondContact O-CG 3.49Å; I293-Q297 PolarHBondContact O-N 3.47Å; K294-Q297 PolarHBondContact O-N 3.1Å; A295-Q297 PolarHBondContact O-N 2.8Å; Q297-S330 PolarHBondContact NE2-OG 2.88Å; Q297-A331 HydrophobicContact CG-CB 3.92Å
298	T	94.7	Very high	97.1	Very high	91 Å²	91	25 Å²	25	56%	0.558	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.4	39.9	-170	53.5	0	0	0	0	112.4	K294 A295 H300	K294-T298 WeakPolarHBondContact O-CB 3.44Å; K294-T298 VanDerWaalsContact O-CG2 3.3Å; K294-T298 WeakPolarHBondContact O-CG2 3.46Å; K294-T298 PolarHBondContact O-N 3.31Å; K294-T298 PolarHBondContact O-OG1 2.91Å; A295-T298 WeakPolarHBondContact CA-OG1 3.29Å; A295-T298 CarbonylContact O-C 3.57Å; A295-T298 PolarHBondContact O-N 3.37Å; A295-T298 PolarHBondContact O-OG1 2.96Å; T298-H300 PolarHBondContact O-CE1 2.8Å; T298-H300 PolarHBondContact O-ND1 2.78Å; T298-H300 VanDerWaalsContact O-ND1 3.11Å
299	G	95.6	Very high	96.9	Very high	39 Å²	39	28.7 Å²	28.7	40%	0.402	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	12.7	169.5	0	0	0	0	0	116.5
300	H	98.1	Very high	96.7	Very high	26 Å²	26	29.6 Å²	29.6	12%	0.12	16%	0.16	C	C	.	.			trans	-114.6	141.3	-179.6	-53.1	78.3	0	0	0	111.7	Q205 G206 P275 I278 A295 A296 T298 V302	Q205-H300 VanDerWaalsContact CA-O 3.25Å; Q205-H300 WeakPolarHBondContact CA-O 3.33Å; Q205-H300 WeakPolarHBondContact CB-O 3.28Å; G206-H300 PolarHBondContact N-O 3.48Å; P275-H300 PolarHBondContact O-CD2 3.25Å; P275-H300 PolarHBondContact O-NE2 2.83Å; I278-H300 HydrophobicContact CD1-CB 4.26Å; A295-H300 HydrophobicContact CB-CB 4.49Å; A295-H300 WeakPolarHBondContact O-CB 3.37Å; A295-H300 PolarHBondContact O-N 3.04Å; A295-H300 PolarHBondContact O-ND1 2.85Å; A295-H300 VanDerWaalsContact O-ND1 3.16Å; A296-H300 WeakPolarHBondContact CA-O 3.14Å; T298-H300 PolarHBondContact O-CE1 2.8Å; T298-H300 PolarHBondContact O-ND1 2.78Å; T298-H300 VanDerWaalsContact O-ND1 3.11Å; H300-V302 HydrophobicContact CB-CG2 4.2Å
301	L	98.6	Very high	96.6	Very high	5 Å²	5	25.8 Å²	25.8	3%	0.026	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	117.7	163	178.6	64.8	0	0	0	108.8	L201 V208 L229 D276 V277 I278 L303	L201-L301 WeakPolarHBondContact O-CD2 3.36Å; V208-L301 HydrophobicContact CG2-CD1 4.24Å; L229-L301 HydrophobicContact CD1-CD2 3.79Å; D276-L301 PolarHBondContact O-N 2.9Å; V277-L301 CarbonylContact C-O 3.44Å; V277-L301 VanDerWaalsContact CA-O 3.31Å; V277-L301 WeakPolarHBondContact CA-O 3.3Å; V277-L301 HydrophobicContact CG2-CB 4.31Å; V277-L301 HydrophobicContact CG2-CD2 4.3Å; I278-L301 PolarHBondContact N-O 3.12Å; L301-L303 HydrophobicContact CD1-CD2 4.4Å; L301-L303 HydrophobicContact CD2-CD2 4.49Å; L301-L303 HydrophobicContact CG-CD2 4.23Å
302	V	98.7	Very high	96.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	123.7	-177.6	-174.3	0	0	0	0	109.9	G206 L207 V208 I278 I280 A292 A295 A296 H300	G206-V302 PolarHBondContact O-N 2.95Å; L207-V302 WeakPolarHBondContact CA-O 3.27Å; L207-V302 HydrophobicContact CD1-CB 3.88Å; L207-V302 HydrophobicContact CD1-CG1 3.71Å; V208-V302 PolarHBondContact N-O 2.99Å; I278-V302 HydrophobicContact CB-CG2 4.46Å; I278-V302 CarbonylContact O-C 3.58Å; I278-V302 VanDerWaalsContact O-CA 3.29Å; I278-V302 WeakPolarHBondContact O-CA 3.35Å; I280-V302 HydrophobicContact CD1-CG1 3.93Å; I280-V302 HydrophobicContact CG1-CG1 4.48Å; A292-V302 HydrophobicContact CB-CG1 4.29Å; A295-V302 HydrophobicContact CB-CG2 3.8Å; A296-V302 HydrophobicContact CB-CB 4.24Å; A296-V302 HydrophobicContact CB-CG2 3.88Å; H300-V302 HydrophobicContact CB-CG2 4.2Å
303	L	98.7	Very high	96.2	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	133.1	173.8	-49.2	-176.6	0	0	0	109.2	L201 V208 L222 A225 L226 L229 V277 I278 M279 I280 L301	L201-L303 HydrophobicContact CD2-CD1 4.45Å; L201-L303 HydrophobicContact CD2-CD2 3.96Å; V208-L303 HydrophobicContact CB-CD2 3.63Å; V208-L303 HydrophobicContact CG1-CD2 4.22Å; V208-L303 HydrophobicContact CG2-CD2 4.03Å; V208-L303 WeakPolarHBondContact O-CA 3.3Å; L222-L303 HydrophobicContact CD2-CB 3.9Å; A225-L303 HydrophobicContact CB-CD1 4.05Å; L226-L303 HydrophobicContact CD2-CD1 3.66Å; L226-L303 HydrophobicContact CG-CD1 4.27Å; L229-L303 HydrophobicContact CD1-CD1 4.49Å; V277-L303 HydrophobicContact CG1-CG 4.47Å; I278-L303 PolarHBondContact O-N 2.95Å; M279-L303 CarbonylContact C-O 3.51Å; M279-L303 WeakPolarHBondContact CA-O 3.28Å; M279-L303 HydrophobicContact CB-CB 4.48Å; M279-L303 HydrophobicContact CG-CB 4.16Å; I280-L303 PolarHBondContact N-O 2.7Å; L301-L303 HydrophobicContact CD1-CD2 4.4Å; L301-L303 HydrophobicContact CD2-CD2 4.49Å; L301-L303 HydrophobicContact CG-CD2 4.23Å
304	S	98.4	Very high	96.1	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	169.6	177.8	-173	0	0	0	0	113.3	V208 L209 V210 I280 I283	V208-S304 PolarHBondContact O-N 3.38Å; L209-S304 WeakPolarHBondContact CA-O 3.3Å; V210-S304 PolarHBondContact N-O 2.96Å; I280-S304 VanDerWaalsContact O-CA 3.31Å; I280-S304 WeakPolarHBondContact O-CA 3.32Å; I280-S304 PolarHBondContact O-OG 3.46Å; I283-S304 VanDerWaalsContact CD1-OG 3.28Å; I283-S304 WeakPolarHBondContact CD1-OG 3.49Å; I283-S304 VanDerWaalsContact CG1-OG 3.27Å; I283-S304 WeakPolarHBondContact CG1-OG 3.21Å
305	T	98.1	Very high	96	Very high	7 Å²	7	24.7 Å²	24.7	4%	0.043	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	153.6	172.9	82.3	0	0	0	0	115.1	V210 K218 L222 G281 E282 I283	V210-T305 WeakPolarHBondContact O-CA 3.47Å; V210-T305 VanDerWaalsContact O-CB 3.24Å; V210-T305 WeakPolarHBondContact O-CB 3.39Å; K218-T305 HydrophobicContact CB-CG2 3.86Å; K218-T305 HydrophobicContact CD-CG2 4.15Å; L222-T305 HydrophobicContact CD1-CG2 3.34Å; L222-T305 HydrophobicContact CG-CG2 4.14Å; G281-T305 WeakPolarHBondContact O-CG2 3.38Å; G281-T305 PolarHBondContact O-OG1 3.47Å; E282-T305 WeakPolarHBondContact CA-O 3.23Å; E282-T305 WeakPolarHBondContact CB-OG1 3.29Å; I283-T305 PolarHBondContact N-O 2.98Å
306	L	97.8	Very high	95.8	Very high	3 Å²	3	27 Å²	27	2%	0.016	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	162.1	166	-75.2	88.9	0	0	0	110	L209 V210 T211 G212 I283 T314 R317 L318 M321	L209-L306 HydrophobicContact CD1-CD1 3.99Å; L209-L306 HydrophobicContact CD2-CD1 3.68Å; L209-L306 HydrophobicContact CG-CD1 4.31Å; V210-L306 PolarHBondContact O-N 3.25Å; T211-L306 VanDerWaalsContact CA-O 3.26Å; T211-L306 WeakPolarHBondContact CA-O 3.5Å; T211-L306 HydrophobicContact CG2-CB 3.97Å; G212-L306 PolarHBondContact N-O 2.83Å; I283-L306 HydrophobicContact CB-CD1 4.18Å; I283-L306 HydrophobicContact CB-CG 4.29Å; I283-L306 HydrophobicContact CD1-CD1 4.22Å; L306-T314 HydrophobicContact CD1-CG2 4.47Å; L306-T314 HydrophobicContact CD2-CG2 4.37Å; L306-R317 HydrophobicContact CD2-CG 4.04Å; L306-L318 HydrophobicContact CD2-CD2 3.93Å; L306-L318 HydrophobicContact CD2-CG 4.14Å; L306-M321 HydrophobicContact CD2-SD 4.46Å
307	H	96.3	Very high	95.7	Very high	94 Å²	94	32.3 Å²	32.3	44%	0.435	17%	0.172	S	C	.	.			trans	-102.6	67.8	175.3	-56	-88.7	0	0	0	111.9	G212 K218 E282	G212-H307 WeakPolarHBondContact O-CA 3.36Å; G212-H307 PolarHBondContact O-ND1 3.43Å; K218-H307 PolarHBondContact NZ-CE1 2.85Å; K218-H307 PolarHBondContact NZ-ND1 3.43Å; K218-H307 VanDerWaalsContact NZ-ND1 3.2Å; E282-H307 IonicContact OE2-CD2 3.38Å; E282-H307 PolarHBondContact OE2-CD2 3.5Å; E282-H307 IonicContact OE2-CE1 2.78Å; E282-H307 IonicContact OE2-NE2 3.82Å; E282-H307 PolarHBondContact OE2-NE2 3.49Å
308	T	95.5	Very high	95.7	Very high	9 Å²	9	29.8 Å²	29.8	6%	0.055	16%	0.16	C	C	.	.			trans	-114.3	163.4	174.7	48	0	0	0	0	111.2	T211 G212 T314 R317	T211-T308 VanDerWaalsContact CB-OG1 3.24Å; T211-T308 WeakPolarHBondContact CB-OG1 3.42Å; T211-T308 PolarHBondContact OG1-OG1 3.41Å; G212-T308 WeakPolarHBondContact CA-O 3.49Å; G212-T308 PolarHBondContact N-O 3.09Å; T308-T314 PolarHBondContact OG1-OG1 3.12Å; T308-R317 HydrophobicContact CG2-CB 3.66Å; T308-R317 HydrophobicContact CG2-CG 3.91Å
309	N	91.4	Very high	95.6	Very high	80 Å²	80	28 Å²	28	43%	0.428	15%	0.146	S	C	.	.	S	Bend	trans	-94.9	-24.3	-173.4	-56.2	-47.2	0	0	0	114	E313 R339 L423	N309-E313 WeakPolarHBondContact CA-OE2 3.19Å; N309-E313 WeakPolarHBondContact CB-OE2 3.44Å; N309-E313 PolarHBondContact N-OE2 2.94Å; N309-R339 VanDerWaalsContact CG-NH2 3.32Å; N309-R339 PolarHBondContact OD1-NH2 3.4Å; N309-L423 WeakPolarHBondContact O-CD1 3.19Å
310	S	92.7	Very high	95.5	Very high	19 Å²	19	32.7 Å²	32.7	13%	0.133	16%	0.157	C	C	.	.	S	Bend	trans	-137.3	168.7	177.3	71.4	0	0	0	0	112.3	E313 T314	S310-E313 WeakPolarHBondContact OG-CB 3.45Å; S310-E313 WeakPolarHBondContact OG-CG 3.34Å; S310-E313 PolarHBondContact OG-N 2.96Å; S310-E313 VanDerWaalsContact OG-N 3.12Å; S310-T314 PolarHBondContact O-N 3.26Å; S310-T314 PolarHBondContact O-OG1 2.91Å
311	T	95.6	Very high	95.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-63	-44.7	175.8	55.5	0	0	0	0	111.1	T314 V335 A337 E390 L392	T311-T314 WeakPolarHBondContact O-CB 3.46Å; T311-T314 PolarHBondContact O-N 2.86Å; T311-T314 PolarHBondContact O-OG1 3.15Å; T311-V335 HydrophobicContact CG2-CB 4.37Å; T311-V335 HydrophobicContact CG2-CG1 4.12Å; T311-V335 WeakPolarHBondContact CG2-O 3.4Å; T311-A337 HydrophobicContact CG2-CB 3.95Å; T311-E390 WeakPolarHBondContact CB-OE1 3.39Å; T311-E390 HydrophobicContact CG2-CB 4.32Å; T311-E390 HydrophobicContact CG2-CG 3.78Å; T311-E390 WeakPolarHBondContact CG2-O 3.23Å; T311-E390 WeakPolarHBondContact CG2-OE1 3.4Å; T311-E390 PolarHBondContact N-OE1 3.4Å; T311-E390 PolarHBondContact OG1-OE1 3.2Å; T311-L392 HydrophobicContact CG2-CB 3.82Å
312	C	92.6	Very high	95.2	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.007	19%	0.189	C	C	.	.	H	α-helix	trans	-69.7	-38.8	-179.5	-53.5	0	0	0	0	113.1	T314 L315 V316 V408 L411	C312-T314 PolarHBondContact O-N 2.84Å; C312-L315 WeakPolarHBondContact O-CB 3.21Å; C312-L315 PolarHBondContact O-N 3.19Å; C312-L315 VanDerWaalsContact O-N 3.08Å; C312-V316 PolarHBondContact O-N 3.38Å; C312-V408 HydrophobicContact CB-CG1 3.71Å; C312-L411 HydrophobicContact CB-CD2 4.35Å; C312-L411 WeakPolarHBondContact SG-CD2 3.49Å
313	E	91.9	Very high	95.1	Very high	82 Å²	82	36 Å²	36	38%	0.383	19%	0.191	S	C	.	.	H	α-helix	trans	-59.1	-30.2	173.2	-80.7	-177.8	-176.1	0	0	112.4	N309 S310 L315 V316 R317	N309-E313 WeakPolarHBondContact CA-OE2 3.19Å; N309-E313 WeakPolarHBondContact CB-OE2 3.44Å; N309-E313 PolarHBondContact N-OE2 2.94Å; S310-E313 WeakPolarHBondContact OG-CB 3.45Å; S310-E313 WeakPolarHBondContact OG-CG 3.34Å; S310-E313 PolarHBondContact OG-N 2.96Å; S310-E313 VanDerWaalsContact OG-N 3.12Å; E313-L315 VanDerWaalsContact C-N 3.27Å; E313-L315 PolarHBondContact O-N 3.3Å; E313-V316 PolarHBondContact O-N 2.87Å; E313-R317 WeakPolarHBondContact O-CB 3.47Å; E313-R317 PolarHBondContact O-N 3.1Å
314	T	95.6	Very high	94.8	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-60.1	-39.7	176.2	-53.5	0	0	0	0	111.5	L209 T211 L306 T308 S310 T311 C312 R317 L318 V335	L209-T314 HydrophobicContact CD1-CG2 3.86Å; T211-T314 HydrophobicContact CG2-CG2 3.72Å; T211-T314 PolarHBondContact OG1-OG1 2.87Å; L306-T314 HydrophobicContact CD1-CG2 4.47Å; L306-T314 HydrophobicContact CD2-CG2 4.37Å; T308-T314 PolarHBondContact OG1-OG1 3.12Å; S310-T314 PolarHBondContact O-N 3.26Å; S310-T314 PolarHBondContact O-OG1 2.91Å; T311-T314 WeakPolarHBondContact O-CB 3.46Å; T311-T314 PolarHBondContact O-N 2.86Å; T311-T314 PolarHBondContact O-OG1 3.15Å; C312-T314 PolarHBondContact O-N 2.84Å; T314-R317 PolarHBondContact O-N 2.72Å; T314-L318 HydrophobicContact CG2-CD1 4.29Å; T314-L318 WeakPolarHBondContact O-CG 3.32Å; T314-L318 PolarHBondContact O-N 2.81Å; T314-V335 HydrophobicContact CG2-CG1 3.99Å
315	L	94.2	Very high	94.5	Very high	6 Å²	6	42.6 Å²	42.6	3%	0.031	22%	0.223	C	C	.	.	H	α-helix	trans	-65.4	-43.6	177.9	-56.5	174.5	0	0	0	110.9	C312 E313 R317 L318 Q319 L332 I402 L411	C312-L315 WeakPolarHBondContact O-CB 3.21Å; C312-L315 PolarHBondContact O-N 3.19Å; C312-L315 VanDerWaalsContact O-N 3.08Å; E313-L315 VanDerWaalsContact C-N 3.27Å; E313-L315 PolarHBondContact O-N 3.3Å; L315-R317 VanDerWaalsContact C-N 3.35Å; L315-L318 PolarHBondContact O-N 2.81Å; L315-Q319 WeakPolarHBondContact O-CG 3.4Å; L315-Q319 PolarHBondContact O-N 3.41Å; L315-Q319 VanDerWaalsContact O-N 3.14Å; L315-L332 HydrophobicContact CD2-CD1 3.52Å; L315-I402 HydrophobicContact CD1-CD1 4.01Å; L315-I402 HydrophobicContact CD1-CG1 3.94Å; L315-I402 HydrophobicContact CD2-CD1 4.07Å; L315-L411 HydrophobicContact CD1-CD1 3.63Å; L315-L411 HydrophobicContact CD1-CD2 4.1Å
316	V	92.7	Very high	94.1	Very high	50 Å²	50	50.4 Å²	50.4	30%	0.303	25%	0.252	S	S	.	.	H	α-helix	trans	-61.7	-45.1	175.6	180	0	0	0	0	110.7	C312 E313 L318 Q319 Q320 V408	C312-V316 PolarHBondContact O-N 3.38Å; E313-V316 PolarHBondContact O-N 2.87Å; V316-L318 VanDerWaalsContact C-N 3.34Å; V316-L318 PolarHBondContact O-N 2.68Å; V316-Q319 WeakPolarHBondContact O-CB 3.37Å; V316-Q319 PolarHBondContact O-N 2.94Å; V316-Q320 HydrophobicContact CG1-CG 4.35Å; V316-Q320 WeakPolarHBondContact O-CG 3.29Å; V316-Q320 PolarHBondContact O-N 3.14Å; V316-V408 HydrophobicContact CG2-CG2 3.28Å
317	R	95.3	Very high	93.9	Very high	112 Å²	112	51 Å²	51	42%	0.423	26%	0.255	S	S	.	.	H	α-helix	trans	-60.2	-44.2	-179.7	179.7	57	-178.5	-178	0.8	111.7	L306 T308 E313 T314 L315 Q319 Q320 M321	L306-R317 HydrophobicContact CD2-CG 4.04Å; T308-R317 HydrophobicContact CG2-CB 3.66Å; T308-R317 HydrophobicContact CG2-CG 3.91Å; E313-R317 WeakPolarHBondContact O-CB 3.47Å; E313-R317 PolarHBondContact O-N 3.1Å; T314-R317 PolarHBondContact O-N 2.72Å; L315-R317 VanDerWaalsContact C-N 3.35Å; R317-Q319 VanDerWaalsContact C-N 3.33Å; R317-Q319 PolarHBondContact O-N 3.44Å; R317-Q320 WeakPolarHBondContact O-CB 3.3Å; R317-Q320 PolarHBondContact O-N 3.25Å; R317-M321 HydrophobicContact CG-SD 4.07Å; R317-M321 VanDerWaalsContact O-CG 3.24Å; R317-M321 WeakPolarHBondContact O-CG 3.43Å; R317-M321 PolarHBondContact O-N 3.47Å
318	L	96.1	Very high	93.8	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-63.7	-38.6	177.2	-70.5	165.5	0	0	0	112.1	L209 A289 L306 T314 L315 V316 M321 V323 L328	L209-L318 HydrophobicContact CD1-CD1 3.69Å; A289-L318 HydrophobicContact CB-CD2 4.31Å; L306-L318 HydrophobicContact CD2-CD2 3.93Å; L306-L318 HydrophobicContact CD2-CG 4.14Å; T314-L318 HydrophobicContact CG2-CD1 4.29Å; T314-L318 WeakPolarHBondContact O-CG 3.32Å; T314-L318 PolarHBondContact O-N 2.81Å; L315-L318 PolarHBondContact O-N 2.81Å; V316-L318 VanDerWaalsContact C-N 3.34Å; V316-L318 PolarHBondContact O-N 2.68Å; L318-M321 WeakPolarHBondContact O-CB 3.2Å; L318-M321 PolarHBondContact O-N 2.8Å; L318-V323 HydrophobicContact CB-CB 4.47Å; L318-V323 HydrophobicContact CB-CG2 4.48Å; L318-V323 VanDerWaalsContact O-CB 3.3Å; L318-V323 WeakPolarHBondContact O-CB 3.42Å; L318-V323 WeakPolarHBondContact O-CG2 3.47Å; L318-V323 PolarHBondContact O-N 3.39Å; L318-V323 VanDerWaalsContact O-N 3.14Å; L318-L328 HydrophobicContact CB-CD1 3.96Å; L318-L328 HydrophobicContact CB-CD2 3.8Å; L318-L328 HydrophobicContact CD1-CD2 3.57Å; L318-L328 HydrophobicContact CG-CD2 4.22Å
319	Q	93.7	Very high	93.7	Very high	55 Å²	55	46.7 Å²	46.7	26%	0.257	24%	0.235	S	C	.	.	H	α-helix	trans	-64.4	-41.5	174	-68.3	-179.1	39.3	0	0	112.3	L315 V316 R317 M321 G322 R325 L328 N405	L315-Q319 WeakPolarHBondContact O-CG 3.4Å; L315-Q319 PolarHBondContact O-N 3.41Å; L315-Q319 VanDerWaalsContact O-N 3.14Å; V316-Q319 WeakPolarHBondContact O-CB 3.37Å; V316-Q319 PolarHBondContact O-N 2.94Å; R317-Q319 VanDerWaalsContact C-N 3.33Å; R317-Q319 PolarHBondContact O-N 3.44Å; Q319-M321 PolarHBondContact O-N 2.88Å; Q319-G322 PolarHBondContact O-N 3.02Å; Q319-R325 HydrophobicContact CG-CG 4.36Å; Q319-L328 HydrophobicContact CG-CD1 3.84Å; Q319-N405 PolarHBondContact OE1-OD1 3.39Å
320	Q	94.4	Very high	93.8	Very high	136 Å²	136	45.8 Å²	45.8	64%	0.636	24%	0.236	S	C	*	.	H	α-helix	trans	-62.5	-27.3	174.4	-71.2	173.6	-8.9	0	0	112.7	V316 R317 G322	V316-Q320 HydrophobicContact CG1-CG 4.35Å; V316-Q320 WeakPolarHBondContact O-CG 3.29Å; V316-Q320 PolarHBondContact O-N 3.14Å; R317-Q320 WeakPolarHBondContact O-CB 3.3Å; R317-Q320 PolarHBondContact O-N 3.25Å; Q320-G322 PolarHBondContact O-N 3.2Å
321	M	95.9	Very high	93.9	Very high	28 Å²	28	45 Å²	45	14%	0.138	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	1.9	173.8	-65.2	170	70.1	0	0	112.9	I283 R284 D285 G286 A289 L306 R317 L318 Q319	I283-M321 HydrophobicContact CG2-CE 3.56Å; I283-M321 HydrophobicContact CG2-SD 4.45Å; R284-M321 VanDerWaalsContact C-CE 3.44Å; R284-M321 WeakPolarHBondContact O-CE 3.47Å; D285-M321 VanDerWaalsContact N-CE 3.28Å; D285-M321 WeakPolarHBondContact O-CE 3.27Å; G286-M321 WeakPolarHBondContact CA-O 3.32Å; A289-M321 HydrophobicContact CB-CE 4.43Å; L306-M321 HydrophobicContact CD2-SD 4.46Å; R317-M321 HydrophobicContact CG-SD 4.07Å; R317-M321 VanDerWaalsContact O-CG 3.24Å; R317-M321 WeakPolarHBondContact O-CG 3.43Å; R317-M321 PolarHBondContact O-N 3.47Å; L318-M321 WeakPolarHBondContact O-CB 3.2Å; L318-M321 PolarHBondContact O-N 2.8Å; Q319-M321 PolarHBondContact O-N 2.88Å
322	G	94.6	Very high	94	Very high	66 Å²	66	45 Å²	45	68%	0.68	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	92.2	5.7	176.9	0	0	0	0	0	114.4	Q319 Q320 A324	Q319-G322 PolarHBondContact O-N 3.02Å; Q320-G322 PolarHBondContact O-N 3.2Å; G322-A324 PolarHBondContact O-N 2.87Å
323	V	94.6	Very high	94.3	Very high	7 Å²	7	46 Å²	46	4%	0.042	24%	0.236	C	C	.	.			trans	-73.7	124.3	177.8	-175.1	0	0	0	0	110.3	A289 I293 L318 M327 L328	A289-V323 HydrophobicContact CB-CG2 3.66Å; I293-V323 HydrophobicContact CD1-CB 4.28Å; I293-V323 HydrophobicContact CD1-CG1 3.23Å; I293-V323 HydrophobicContact CD1-CG2 4.06Å; L318-V323 HydrophobicContact CB-CB 4.47Å; L318-V323 HydrophobicContact CB-CG2 4.48Å; L318-V323 VanDerWaalsContact O-CB 3.3Å; L318-V323 WeakPolarHBondContact O-CB 3.42Å; L318-V323 WeakPolarHBondContact O-CG2 3.47Å; L318-V323 PolarHBondContact O-N 3.39Å; L318-V323 VanDerWaalsContact O-N 3.14Å; V323-M327 HydrophobicContact CG1-CB 4.26Å; V323-M327 HydrophobicContact CG1-CE 4.03Å; V323-L328 HydrophobicContact CB-CD2 4.31Å; V323-L328 HydrophobicContact CB-CG 4.38Å; V323-L328 HydrophobicContact CG1-CD1 4.39Å; V323-L328 HydrophobicContact CG1-CD2 3.62Å; V323-L328 HydrophobicContact CG1-CG 3.67Å
324	A	93.4	Very high	94.6	Very high	32 Å²	32	42.2 Å²	42.2	26%	0.264	22%	0.218	S	C	.	.			trans	-66.8	142.2	176.8	0	0	0	0	0	112.4	G322 W326 M327 L328	G322-A324 PolarHBondContact O-N 2.87Å; A324-W326 VanDerWaalsContact C-N 3.34Å; A324-W326 HydrophobicContact CB-CG 4.46Å; A324-W326 VanDerWaalsContact CB-NE1 3.35Å; A324-W326 PolarHBondContact O-N 2.9Å; A324-M327 HydrophobicContact CB-CE 3.71Å; A324-M327 HydrophobicContact CB-CG 4.29Å; A324-M327 VanDerWaalsContact N-CE 3.35Å; A324-M327 WeakPolarHBondContact O-CA 3.27Å; A324-M327 VanDerWaalsContact O-CB 3.31Å; A324-M327 WeakPolarHBondContact O-CB 3.33Å; A324-M327 PolarHBondContact O-N 3.38Å; A324-L328 PolarHBondContact O-N 3.27Å; A324-L328 VanDerWaalsContact O-N 3.17Å
325	R	91.3	Very high	94.7	Very high	106 Å²	106	42.2 Å²	42.2	40%	0.4	22%	0.218	S	C	.	.	H	α-helix	trans	-58.9	-40.9	-175	-59.6	174.8	-169.7	147.3	-1.1	113.7	Q319 M327 L328 S329 N405	Q319-R325 HydrophobicContact CG-CG 4.36Å; R325-M327 PolarHBondContact O-N 3.08Å; R325-L328 WeakPolarHBondContact O-CB 3.47Å; R325-L328 PolarHBondContact O-N 2.96Å; R325-S329 PolarHBondContact O-N 3.49Å; R325-S329 PolarHBondContact O-OG 3.48Å; R325-N405 PolarHBondContact NE-OD1 3.36Å; R325-N405 VanDerWaalsContact NH1-CB 3.28Å; R325-N405 PolarHBondContact NH2-ND2 2.89Å; R325-N405 VanDerWaalsContact NH2-ND2 3.18Å; R325-N405 PolarHBondContact NH2-OD1 3.09Å; R325-N405 VanDerWaalsContact NH2-OD1 3.11Å
326	W	91.3	Very high	94.9	Very high	171 Å²	171	41.9 Å²	41.9	65%	0.648	22%	0.217	S	C	*	.	H	α-helix	trans	-65.8	-27.5	177.4	64.9	-96.7	0	0	0	112.4	A324 S329 S330	A324-W326 VanDerWaalsContact C-N 3.34Å; A324-W326 HydrophobicContact CB-CG 4.46Å; A324-W326 VanDerWaalsContact CB-NE1 3.35Å; A324-W326 PolarHBondContact O-N 2.9Å; W326-S329 WeakPolarHBondContact CA-OG 3.38Å; W326-S329 PolarHBondContact O-OG 3.41Å; W326-S330 WeakPolarHBondContact O-CB 3.16Å; W326-S330 PolarHBondContact O-N 3.44Å; W326-S330 PolarHBondContact O-OG 2.85Å
327	M	93.6	Very high	95.2	Very high	16 Å²	16	39.5 Å²	39.5	8%	0.079	20%	0.202	C	C	.	.	H	α-helix	trans	-72.7	-42.4	173	-68.3	-165	-70.1	0	0	110.9	I293 V323 A324 R325 S330 A331	I293-M327 HydrophobicContact CG2-CB 3.81Å; I293-M327 HydrophobicContact CG2-SD 4.46Å; V323-M327 HydrophobicContact CG1-CB 4.26Å; V323-M327 HydrophobicContact CG1-CE 4.03Å; A324-M327 HydrophobicContact CB-CE 3.71Å; A324-M327 HydrophobicContact CB-CG 4.29Å; A324-M327 VanDerWaalsContact N-CE 3.35Å; A324-M327 WeakPolarHBondContact O-CA 3.27Å; A324-M327 VanDerWaalsContact O-CB 3.31Å; A324-M327 WeakPolarHBondContact O-CB 3.33Å; A324-M327 PolarHBondContact O-N 3.38Å; R325-M327 PolarHBondContact O-N 3.08Å; M327-S330 PolarHBondContact O-N 2.9Å; M327-S330 PolarHBondContact O-OG 3.5Å; M327-A331 VanDerWaalsContact O-CB 3.3Å; M327-A331 WeakPolarHBondContact O-CB 3.42Å; M327-A331 PolarHBondContact O-N 3.44Å
328	L	93.6	Very high	95.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.9	-48.4	175.1	-67.2	176.5	0	0	0	111.9	I293 L318 Q319 V323 A324 R325 S330 A331 L332 I402	I293-L328 HydrophobicContact CD1-CD2 3.79Å; L318-L328 HydrophobicContact CB-CD1 3.96Å; L318-L328 HydrophobicContact CB-CD2 3.8Å; L318-L328 HydrophobicContact CD1-CD2 3.57Å; L318-L328 HydrophobicContact CG-CD2 4.22Å; Q319-L328 HydrophobicContact CG-CD1 3.84Å; V323-L328 HydrophobicContact CB-CD2 4.31Å; V323-L328 HydrophobicContact CB-CG 4.38Å; V323-L328 HydrophobicContact CG1-CD1 4.39Å; V323-L328 HydrophobicContact CG1-CD2 3.62Å; V323-L328 HydrophobicContact CG1-CG 3.67Å; A324-L328 PolarHBondContact O-N 3.27Å; A324-L328 VanDerWaalsContact O-N 3.17Å; R325-L328 WeakPolarHBondContact O-CB 3.47Å; R325-L328 PolarHBondContact O-N 2.96Å; L328-S330 VanDerWaalsContact C-N 3.26Å; L328-S330 PolarHBondContact O-N 3Å; L328-A331 PolarHBondContact O-N 3.47Å; L328-L332 HydrophobicContact CB-CD1 4.04Å; L328-L332 HydrophobicContact CD2-CD1 4.08Å; L328-L332 VanDerWaalsContact O-CB 3.31Å; L328-L332 WeakPolarHBondContact O-CB 3.48Å; L328-L332 WeakPolarHBondContact O-CG 3.08Å; L328-L332 PolarHBondContact O-N 3.33Å; L328-I402 HydrophobicContact CB-CG2 4.14Å
329	S	92.7	Very high	95.4	Very high	12 Å²	12	35.5 Å²	35.5	8%	0.084	19%	0.187	C	C	.	.	H	α-helix	trans	-68.2	-23.9	-177.3	65.5	0	0	0	0	113.7	R325 W326 R399 S403	R325-S329 PolarHBondContact O-N 3.49Å; R325-S329 PolarHBondContact O-OG 3.48Å; W326-S329 WeakPolarHBondContact CA-OG 3.38Å; W326-S329 PolarHBondContact O-OG 3.41Å; S329-R399 WeakPolarHBondContact CB-O 3.33Å; S329-R399 WeakPolarHBondContact O-CD 3.31Å; S329-R399 WeakPolarHBondContact O-CG 3.35Å; S329-R399 PolarHBondContact O-NH1 3.49Å; S329-S403 WeakPolarHBondContact CB-OG 3.35Å; S329-S403 PolarHBondContact OG-OG 3.23Å
330	S	93.1	Very high	95.5	Very high	62 Å²	62	34.5 Å²	34.5	43%	0.434	18%	0.183	S	C	.	.	H	α-helix	trans	-87.5	-34.8	176	50.7	0	0	0	0	113.1	Q297 W326 M327 L328 R399	Q297-S330 PolarHBondContact NE2-OG 2.88Å; W326-S330 WeakPolarHBondContact O-CB 3.16Å; W326-S330 PolarHBondContact O-N 3.44Å; W326-S330 PolarHBondContact O-OG 2.85Å; M327-S330 PolarHBondContact O-N 2.9Å; M327-S330 PolarHBondContact O-OG 3.5Å; L328-S330 VanDerWaalsContact C-N 3.26Å; L328-S330 PolarHBondContact O-N 3Å; S330-R399 PolarHBondContact O-NH1 2.79Å
331	A	96.1	Very high	95.7	Very high	1 Å²	1	28 Å²	28	1%	0.008	15%	0.153	C	C	.	.	H	α-helix	trans	-90.7	-37.2	-174.9	0	0	0	0	0	114.4	G206 L207 I293 A296 Q297 M327 L328	G206-A331 CarbonylContact C-O 3.51Å; G206-A331 WeakPolarHBondContact CA-O 3.44Å; L207-A331 PolarHBondContact N-O 2.9Å; I293-A331 HydrophobicContact CB-CB 4.33Å; I293-A331 HydrophobicContact CG1-CB 4.34Å; I293-A331 HydrophobicContact CG2-CB 3.81Å; A296-A331 HydrophobicContact CB-CB 4.13Å; Q297-A331 HydrophobicContact CG-CB 3.92Å; M327-A331 VanDerWaalsContact O-CB 3.3Å; M327-A331 WeakPolarHBondContact O-CB 3.42Å; M327-A331 PolarHBondContact O-N 3.44Å; L328-A331 PolarHBondContact O-N 3.47Å
332	L	97.4	Very high	95.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	136.9	-173.1	-69.8	170.1	0	0	0	111.8	L207 L209 L315 L328 V335 I394 R399	L207-L332 HydrophobicContact CB-CD2 4.14Å; L207-L332 HydrophobicContact CD2-CD2 3.61Å; L207-L332 HydrophobicContact CD2-CG 4.48Å; L207-L332 HydrophobicContact CG-CD2 3.81Å; L209-L332 HydrophobicContact CD1-CD2 3.58Å; L209-L332 HydrophobicContact CG-CD2 4.06Å; L315-L332 HydrophobicContact CD2-CD1 3.52Å; L328-L332 HydrophobicContact CB-CD1 4.04Å; L328-L332 HydrophobicContact CD2-CD1 4.08Å; L328-L332 VanDerWaalsContact O-CB 3.31Å; L328-L332 WeakPolarHBondContact O-CB 3.48Å; L328-L332 WeakPolarHBondContact O-CG 3.08Å; L328-L332 PolarHBondContact O-N 3.33Å; L332-V335 HydrophobicContact CD2-CG2 4.38Å; L332-I394 HydrophobicContact CB-CG1 3.93Å; L332-I394 HydrophobicContact CB-CG2 4.39Å; L332-I394 WeakPolarHBondContact O-CG2 3.42Å; L332-R399 VanDerWaalsContact O-CZ 3.26Å; L332-R399 PolarHBondContact O-NH1 3.34Å; L332-R399 PolarHBondContact O-NH2 2.93Å
333	T	97.8	Very high	95.9	Very high	24 Å²	24	29.6 Å²	29.6	15%	0.147	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	-44.1	175.7	-58.7	0	0	0	0	110.8	A200 Q203 G206 L207 I394	A200-T333 HydrophobicContact CB-CG2 3.86Å; Q203-T333 HydrophobicContact CG-CG2 4.03Å; G206-T333 WeakPolarHBondContact CA-OG1 3.33Å; L207-T333 PolarHBondContact O-N 3Å; T333-I394 WeakPolarHBondContact O-CB 3.29Å; T333-I394 PolarHBondContact O-N 3.42Å
334	L	98.3	Very high	96	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	137.6	-175.8	-169.2	75.4	0	0	0	110.4	D196 F197 A200 L207 V208 L209 I336 V391 P393	D196-L334 HydrophobicContact CB-CD1 4.25Å; F197-L334 HydrophobicContact CB-CD2 4.23Å; F197-L334 HydrophobicContact CD2-CD2 3.66Å; F197-L334 HydrophobicContact CG-CD2 4.41Å; A200-L334 HydrophobicContact CB-CB 3.84Å; A200-L334 HydrophobicContact CB-CD2 3.85Å; A200-L334 HydrophobicContact CB-CG 4.37Å; L207-L334 PolarHBondContact O-N 3.49Å; V208-L334 WeakPolarHBondContact CA-O 3.44Å; V208-L334 HydrophobicContact CG1-CB 4.21Å; V208-L334 HydrophobicContact CG1-CD2 4.2Å; V208-L334 HydrophobicContact CG2-CB 4.25Å; L209-L334 PolarHBondContact N-O 3.17Å; L334-I336 HydrophobicContact CD2-CD1 3.72Å; L334-I336 HydrophobicContact CD2-CG1 3.85Å; L334-I336 HydrophobicContact CG-CG1 4.13Å; L334-V391 HydrophobicContact CD1-CG1 3.55Å; L334-V391 HydrophobicContact CD2-CG1 4.34Å; L334-V391 HydrophobicContact CG-CG1 4.2Å; L334-P393 HydrophobicContact CD1-CB 4.08Å
335	V	98.4	Very high	96.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	128	168	-173.6	0	0	0	0	108.4	L209 T211 T311 T314 L332 L392 I394	L209-V335 HydrophobicContact CB-CG1 4.39Å; T211-V335 HydrophobicContact CG2-CG1 4.46Å; T311-V335 HydrophobicContact CG2-CB 4.37Å; T311-V335 HydrophobicContact CG2-CG1 4.12Å; T311-V335 WeakPolarHBondContact CG2-O 3.4Å; T314-V335 HydrophobicContact CG2-CG1 3.99Å; L332-V335 HydrophobicContact CD2-CG2 4.38Å; V335-L392 HydrophobicContact CB-CB 4.42Å; V335-L392 PolarHBondContact N-O 3.16Å; V335-L392 PolarHBondContact O-N 2.88Å; V335-I394 HydrophobicContact CG2-CD1 4.35Å
336	I	98.6	Very high	96.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	123.4	177.6	-62.2	170.8	0	0	0	107.3	M189 F197 L209 V210 T211 L334 F389 E390 V391	M189-I336 HydrophobicContact CE-CD1 3.94Å; F197-I336 HydrophobicContact CD2-CD1 3.68Å; F197-I336 HydrophobicContact CE2-CD1 3.8Å; F197-I336 HydrophobicContact CG-CD1 4.19Å; F197-I336 HydrophobicContact CZ-CD1 4.38Å; L209-I336 PolarHBondContact O-N 3.35Å; V210-I336 CarbonylContact C-O 3.57Å; V210-I336 HydrophobicContact CG2-CD1 4.31Å; T211-I336 PolarHBondContact N-O 3.33Å; T211-I336 PolarHBondContact OG1-O 3.44Å; T211-I336 VanDerWaalsContact OG1-O 3.14Å; L334-I336 HydrophobicContact CD2-CD1 3.72Å; L334-I336 HydrophobicContact CD2-CG1 3.85Å; L334-I336 HydrophobicContact CG-CG1 4.13Å; I336-F389 HydrophobicContact CG2-CD1 3.76Å; I336-E390 CarbonylContact C-O 3.57Å; I336-E390 VanDerWaalsContact CA-O 3.31Å; I336-E390 WeakPolarHBondContact CA-O 3.21Å; I336-V391 HydrophobicContact CG1-CG1 4.32Å; I336-V391 HydrophobicContact CG1-CG2 4.21Å; I336-V391 HydrophobicContact CG2-CG2 4.44Å
337	A	98.3	Very high	96.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	135	163.2	0	0	0	0	0	109.5	T311 F389 E390 L423	T311-A337 HydrophobicContact CG2-CB 3.95Å; A337-F389 WeakPolarHBondContact O-CA 3.47Å; A337-E390 HydrophobicContact CB-CB 4.27Å; A337-E390 PolarHBondContact N-O 3.48Å; A337-E390 PolarHBondContact O-N 2.92Å; A337-L423 HydrophobicContact CB-CD1 4.04Å; A337-L423 HydrophobicContact CB-CG 4.47Å; A337-L423 WeakPolarHBondContact O-CD2 3.45Å
338	Q	98.4	Very high	96.8	Very high	4 Å²	4	25 Å²	25	2%	0.019	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	141.4	-171.8	-167.3	175.9	-37.1	0	0	112	T211 S216 G217 T221 A387 L388 F389	T211-Q338 WeakPolarHBondContact O-CB 3.37Å; T211-Q338 PolarHBondContact O-N 2.99Å; S216-Q338 VanDerWaalsContact CB-O 3.28Å; S216-Q338 WeakPolarHBondContact CB-O 3.37Å; S216-Q338 VanDerWaalsContact O-CD 3.31Å; S216-Q338 VanDerWaalsContact O-CG 3.3Å; S216-Q338 WeakPolarHBondContact O-CG 3.41Å; S216-Q338 PolarHBondContact O-NE2 2.98Å; G217-Q338 PolarHBondContact O-NE2 2.87Å; G217-Q338 VanDerWaalsContact O-NE2 3.17Å; T221-Q338 PolarHBondContact OG1-NE2 3.02Å; T221-Q338 PolarHBondContact OG1-OE1 3.48Å; Q338-A387 HydrophobicContact CG-CB 4.38Å; Q338-L388 WeakPolarHBondContact CA-O 3.22Å; Q338-F389 HydrophobicContact CB-CD1 4.47Å; Q338-F389 HydrophobicContact CG-CD1 4.05Å; Q338-F389 HydrophobicContact CG-CE1 3.8Å; Q338-F389 HydrophobicContact CG-CZ 4.45Å
339	R	97.5	Very high	97	Very high	25 Å²	25	29.9 Å²	29.9	9%	0.094	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	154	168.4	-72.2	-65.9	-167.1	-80.4	5.9	110.5	N309 A387 L388 L423 V444 L445	N309-R339 VanDerWaalsContact CG-NH2 3.32Å; N309-R339 PolarHBondContact OD1-NH2 3.4Å; R339-A387 CarbonylContact O-C 3.53Å; R339-A387 VanDerWaalsContact O-CA 3.3Å; R339-A387 WeakPolarHBondContact O-CA 3.27Å; R339-L388 PolarHBondContact N-O 3.17Å; R339-L388 PolarHBondContact O-N 2.84Å; R339-L423 HydrophobicContact CB-CD2 4.41Å; R339-L423 HydrophobicContact CG-CD1 3.86Å; R339-L423 HydrophobicContact CG-CD2 4.4Å; R339-V444 HydrophobicContact CB-CG1 4.11Å; R339-V444 HydrophobicContact CG-CG1 4.31Å; R339-L445 HydrophobicContact CB-CD2 4.41Å; R339-L445 HydrophobicContact CG-CD2 3.68Å
340	L	96.8	Very high	97.1	Very high	33 Å²	33	35 Å²	35	17%	0.173	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	132	168.6	-63.2	-175.8	0	0	0	109.7	G215 S216 R385 T386 A387	G215-L340 WeakPolarHBondContact O-CD1 3.31Å; S216-L340 WeakPolarHBondContact O-CG 3.32Å; L340-R385 HydrophobicContact CB-CB 4.27Å; L340-R385 HydrophobicContact CD1-CB 4.44Å; L340-T386 WeakPolarHBondContact CA-O 3.39Å; L340-A387 HydrophobicContact CD2-CB 3.63Å
341	V	97.4	Very high	97.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	150.5	169.4	-64.6	0	0	0	0	109.5	R385 T386 L388 T436 E440 V444	V341-R385 CarbonylContact O-C 3.46Å; V341-R385 WeakPolarHBondContact O-CA 3.4Å; V341-R385 WeakPolarHBondContact O-CB 3.38Å; V341-T386 HydrophobicContact CG2-CG2 3.61Å; V341-T386 PolarHBondContact N-O 2.93Å; V341-T386 PolarHBondContact O-N 3.48Å; V341-L388 HydrophobicContact CG1-CD1 3.61Å; V341-L388 HydrophobicContact CG1-CG 4.16Å; V341-L388 HydrophobicContact CG2-CD1 4.26Å; V341-L388 HydrophobicContact CG2-CD2 4.21Å; V341-L388 HydrophobicContact CG2-CG 4.06Å; V341-T436 HydrophobicContact CG2-CG2 4.13Å; V341-E440 HydrophobicContact CB-CG 4.15Å; V341-V444 HydrophobicContact CG1-CB 4.18Å; V341-V444 HydrophobicContact CG1-CG1 4.24Å; V341-V444 HydrophobicContact CG1-CG2 4.13Å
342	R	97.3	Very high	97.1	Very high	34 Å²	34	42 Å²	42	13%	0.128	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	136.4	176	-67.9	-179.5	-65.5	158.8	7.3	110.6	D106 F382 T436 E440	D106-R342 HydrophobicContact CB-CG 3.96Å; D106-R342 WeakPolarHBondContact O-CG 3.31Å; R342-F382 HydrophobicContact CB-CB 3.99Å; R342-F382 HydrophobicContact CB-CD1 3.34Å; R342-F382 HydrophobicContact CB-CE1 3.92Å; R342-F382 HydrophobicContact CB-CG 3.73Å; R342-T436 PolarHBondContact O-OG1 2.97Å; R342-E440 HydrophobicContact CB-CG 4.24Å; R342-E440 WeakPolarHBondContact CB-OE1 3.47Å; R342-E440 VanDerWaalsContact CG-OE1 3.29Å; R342-E440 WeakPolarHBondContact CG-OE1 3.19Å; R342-E440 IonicContact CZ-OE2 2.66Å; R342-E440 VanDerWaalsContact CZ-OE2 3.26Å; R342-E440 PolarHBondContact N-OE1 3.09Å; R342-E440 VanDerWaalsContact NE-CD 3.3Å; R342-E440 IonicContact NE-OE1 3.71Å; R342-E440 PolarHBondContact NE-OE1 3.04Å; R342-E440 IonicContact NE-OE2 3.66Å; R342-E440 PolarHBondContact NE-OE2 3.31Å; R342-E440 IonicContact NH2-OE2 2.79Å; R342-E440 PolarHBondContact NH2-OE2 2.78Å
343	K	97.2	Very high	96.8	Very high	93 Å²	93	44.6 Å²	44.6	40%	0.404	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	129.8	178.8	-172.9	176.6	-178.4	174.5	0	110.1	C345 F382 Y383 G384 L435	K343-C345 PolarHBondContact O-N 2.8Å; K343-F382 CarbonylContact O-C 3.58Å; K343-F382 VanDerWaalsContact O-CA 3.24Å; K343-F382 WeakPolarHBondContact O-CA 3.31Å; K343-F382 WeakPolarHBondContact O-CD1 3.39Å; K343-Y383 PolarHBondContact O-N 2.87Å; K343-G384 PolarHBondContact N-O 2.71Å; K343-L435 CarbonylContact C-O 3.59Å; K343-L435 VanDerWaalsContact CA-O 3.28Å; K343-L435 WeakPolarHBondContact CA-O 3.28Å
344	L	98.2	Very high	96.6	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.01	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	136.2	173.2	-87	169.5	0	0	0	110.8	R349 W370 A372 F382 L435 T436 T437	L344-R349 HydrophobicContact CB-CB 4.07Å; L344-R349 HydrophobicContact CD1-CB 4.34Å; L344-R349 HydrophobicContact CD2-CB 4.21Å; L344-R349 HydrophobicContact CG-CB 4.46Å; L344-W370 HydrophobicContact CD1-CB 3.65Å; L344-W370 HydrophobicContact CD1-CD2 4.36Å; L344-W370 HydrophobicContact CD1-CG 3.95Å; L344-A372 HydrophobicContact CD2-CB 3.7Å; L344-F382 HydrophobicContact CD2-CE1 4.19Å; L344-F382 HydrophobicContact CG-CE1 4.36Å; L344-L435 PolarHBondContact N-O 3.28Å; L344-T436 WeakPolarHBondContact CD1-O 3.42Å; L344-T437 HydrophobicContact CD1-CG2 4Å; L344-T437 HydrophobicContact CD2-CG2 3.65Å; L344-T437 HydrophobicContact CG-CG2 4Å
345	C	97.3	Very high	96.5	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.007	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-64.4	123.9	175.1	174.1	0	0	0	0	110	K343 H347 C348 R349 C378 G381	K343-C345 PolarHBondContact O-N 2.8Å; C345-H347 PolarHBondContact O-N 2.89Å; C345-H347 PolarHBondContact SG-N 3.35Å; C345-H347 VanDerWaalsContact SG-N 3.42Å; C345-C348 PolarHBondContact O-N 2.88Å; C345-R349 VanDerWaalsContact O-CB 3.26Å; C345-R349 WeakPolarHBondContact O-CB 3.23Å; C345-R349 WeakPolarHBondContact O-CG 3.47Å; C345-R349 PolarHBondContact O-N 3.25Å; C345-C378 HydrophobicContact CB-CB 3.5Å; C345-C378 VanDerWaalsContact CB-CB 3.5Å; C345-C378 VanDerWaalsContact SG-CB 3.53Å; C345-G381 WeakPolarHBondContact CB-O 3.21Å; C345-G381 PolarHBondContact N-O 2.84Å
346	P	95.4	Very high	96.4	Very high	84 Å²	84	54.9 Å²	54.9	55%	0.545	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-22.8	-178.9	26.2	-34.3	0	0	0	113.1
347	H	96.4	Very high	96.2	Very high	131 Å²	131	61.7 Å²	61.7	61%	0.606	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-29.6	-178	-61.4	-79.2	0	0	0	114.3	C345 H377	C345-H347 PolarHBondContact O-N 2.89Å; C345-H347 PolarHBondContact SG-N 3.35Å; C345-H347 VanDerWaalsContact SG-N 3.42Å; H347-H377 AromaticContact CD2-CD2 3.88Å; H347-H377 AromaticContact CD2-CG 3.87Å; H347-H377 AromaticContact CG-CD2 3.76Å
348	C	96.7	Very high	95.9	Very high	18 Å²	18	62.7 Å²	62.7	12%	0.122	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.8	-6.7	-172.9	76.8	0	0	0	0	114.3	C345 R350 P373 C375	C345-C348 PolarHBondContact O-N 2.88Å; C348-R350 PolarHBondContact O-N 3.11Å; C348-P373 HydrophobicContact CB-CG 4.1Å; C348-P373 WeakPolarHBondContact O-CD 3.35Å; C348-P373 WeakPolarHBondContact O-CG 3.35Å; C348-C375 HydrophobicContact CB-CB 3.84Å
349	R	97.1	Very high	95.6	Very high	102 Å²	102	65.8 Å²	65.8	39%	0.385	33%	0.33	S	S	.	.			trans	-58.2	133.9	174.7	68.5	-179.7	-177.8	167.8	3.3	109.8	L344 C345 W370 G434	L344-R349 HydrophobicContact CB-CB 4.07Å; L344-R349 HydrophobicContact CD1-CB 4.34Å; L344-R349 HydrophobicContact CD2-CB 4.21Å; L344-R349 HydrophobicContact CG-CB 4.46Å; C345-R349 VanDerWaalsContact O-CB 3.26Å; C345-R349 WeakPolarHBondContact O-CB 3.23Å; C345-R349 WeakPolarHBondContact O-CG 3.47Å; C345-R349 PolarHBondContact O-N 3.25Å; R349-W370 HydrophobicContact CB-CE3 4.49Å; R349-W370 HydrophobicContact CG-CZ3 4.49Å; R349-G434 PolarHBondContact NH1-O 3.38Å
350	R	96.4	Very high	95.2	Very high	120 Å²	120	70.8 Å²	70.8	45%	0.453	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	141.2	176.4	64.4	-174.6	-171.5	-168.3	1.1	109.8	C348 Q352 Q371	C348-R350 PolarHBondContact O-N 3.11Å; R350-Q352 VanDerWaalsContact NH2-OE1 3.07Å; R350-Q371 HydrophobicContact CG-CB 4.14Å; R350-Q371 PolarHBondContact N-O 3.48Å; R350-Q371 PolarHBondContact O-N 3.09Å
351	Q	96.2	Very high	94.8	Very high	119 Å²	119	73.2 Å²	73.2	56%	0.556	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.3	119.8	171.2	-172.4	178	-6.1	0	0	107.9	P368 H369 W370	Q351-P368 HydrophobicContact CG-CB 4.26Å; Q351-H369 WeakPolarHBondContact CA-O 3.39Å; Q351-W370 HydrophobicContact CB-CD2 4.49Å; Q351-W370 HydrophobicContact CB-CE3 4.08Å; Q351-W370 HydrophobicContact CB-CH2 4.28Å; Q351-W370 HydrophobicContact CB-CZ3 3.97Å
352	Q	92.5	Very high	94.4	Very high	91 Å²	91	74 Å²	74	43%	0.425	38%	0.376	S	S	.	.			trans	-151.4	132.5	-177.2	178.2	177.5	1.7	0	0	110.7	R350 H369 Q371	R350-Q352 VanDerWaalsContact NH2-OE1 3.07Å; Q352-H369 PolarHBondContact N-O 2.96Å; Q352-Q371 HydrophobicContact CB-CG 4.16Å
353	G	90.8	Very high	94.2	Very high	55 Å²	55	73 Å²	73	57%	0.567	37%	0.373	S	S	*	.	S	Bend	trans	105.1	174.5	-176.8	0	0	0	0	0	112
354	E	93.8	Very high	94	Very high	162 Å²	162	73.3 Å²	73.3	76%	0.757	38%	0.384	S	S	*	.	S	Bend	trans	-65.2	146.6	173.7	-65.3	-57.4	139.7	0	0	110.6	H369	E354-H369 WeakPolarHBondContact O-CB 3.5Å
355	P	95.5	Very high	93.8	Very high	53 Å²	53	75.1 Å²	75.1	34%	0.344	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-51.1	142.5	169.5	-24.9	34.6	0	0	0	111.7	H357 P366 L367	P355-H357 PolarHBondContact O-CD2 3.24Å; P355-H357 VanDerWaalsContact O-CD2 3.26Å; P355-P366 HydrophobicContact CB-CB 3.68Å; P355-L367 CarbonylContact C-O 3.59Å; P355-L367 WeakPolarHBondContact CA-O 3.4Å
356	I	95.9	Very high	93.7	Very high	26 Å²	26	78.3 Å²	78.3	13%	0.133	42%	0.417	C	S	.	.	B	Isolated β-bridge	trans	-83.6	119.7	179.9	-61.2	170.7	0	0	0	108	I358 P366 L367 H369 F438	I356-I358 HydrophobicContact CG2-CG2 4.31Å; I356-P366 WeakPolarHBondContact O-CA 3.29Å; I356-L367 HydrophobicContact CB-CB 4.3Å; I356-L367 PolarHBondContact N-O 3.08Å; I356-L367 PolarHBondContact O-N 3Å; I356-H369 HydrophobicContact CD1-CB 4.19Å; I356-H369 HydrophobicContact CG1-CB 4.1Å; I356-F438 HydrophobicContact CD1-CB 3.49Å; I356-F438 VanDerWaalsContact CD1-CB 3.49Å; I356-F438 HydrophobicContact CD1-CD1 3.86Å; I356-F438 HydrophobicContact CD1-CG 3.87Å; I356-F438 HydrophobicContact CG2-CD1 3.8Å; I356-F438 HydrophobicContact CG2-CE1 3.86Å; I356-F438 HydrophobicContact CG2-CG 4.14Å; I356-F438 HydrophobicContact CG2-CZ 4.28Å
357	H	94.6	Very high	93.8	Very high	143 Å²	143	74.3 Å²	74.3	66%	0.662	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-97.2	125.5	174.6	-68.1	-95.4	0	0	0	109.7	P355 P366	P355-H357 PolarHBondContact O-CD2 3.24Å; P355-H357 VanDerWaalsContact O-CD2 3.26Å; H357-P366 VanDerWaalsContact CE1-CG 3.41Å; H357-P366 WeakPolarHBondContact CE1-CG 3.4Å
358	I	93.1	Very high	93.9	Very high	21 Å²	21	68.9 Å²	68.9	11%	0.108	37%	0.368	C	S	.	.			trans	-121.1	162.4	170.7	52.9	165.6	0	0	0	108.7	I356 D360 V362 W363 L367 F424 F438 M447	I356-I358 HydrophobicContact CG2-CG2 4.31Å; I358-D360 PolarHBondContact O-N 3.39Å; I358-V362 HydrophobicContact CD1-CG1 4.14Å; I358-W363 HydrophobicContact CD1-CB 3.38Å; I358-W363 HydrophobicContact CD1-CG 4.31Å; I358-W363 HydrophobicContact CG1-CB 3.95Å; I358-L367 HydrophobicContact CD1-CD1 4.07Å; I358-F424 HydrophobicContact CD1-CE1 3.98Å; I358-F438 HydrophobicContact CD1-CE2 4.43Å; I358-F438 HydrophobicContact CG2-CE1 4.35Å; I358-F438 HydrophobicContact CG2-CE2 3.88Å; I358-F438 HydrophobicContact CG2-CZ 3.49Å; I358-F438 VanDerWaalsContact CG2-CZ 3.49Å; I358-M447 HydrophobicContact CB-CE 4.13Å; I358-M447 HydrophobicContact CD1-CE 4.17Å; I358-M447 HydrophobicContact CG2-CE 4.13Å; I358-M447 HydrophobicContact CG2-SD 4.48Å
359	P	91.8	Very high	93.9	Very high	68 Å²	68	70.5 Å²	70.5	44%	0.442	37%	0.374	S	S	.	.			trans	-54.1	135	-178.8	-29.2	37.8	0	0	0	113	N361 V362 W363	P359-N361 WeakPolarHBondContact CB-OD1 3.42Å; P359-N361 PolarHBondContact O-N 2.87Å; P359-N361 VanDerWaalsContact O-N 3.14Å; P359-V362 HydrophobicContact CB-CG2 4.33Å; P359-V362 WeakPolarHBondContact O-CA 3.24Å; P359-V362 WeakPolarHBondContact O-CB 3.41Å; P359-V362 PolarHBondContact O-N 3.25Å; P359-W363 PolarHBondContact O-N 2.84Å; P359-W363 VanDerWaalsContact O-N 3.1Å
360	D	90	Very high	94	Very high	131 Å²	131	67.4 Å²	67.4	70%	0.701	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-26.5	-174.6	-65.6	-16.5	0	0	0	113.3	I358 V362	I358-D360 PolarHBondContact O-N 3.39Å; D360-V362 PolarHBondContact O-N 3.37Å
361	N	87.6	Confident	94	Very high	83 Å²	83	64.2 Å²	64.2	44%	0.444	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-20.6	174.5	64.4	-26.1	0	0	0	113.2	P359	P359-N361 WeakPolarHBondContact CB-OD1 3.42Å; P359-N361 PolarHBondContact O-N 2.87Å; P359-N361 VanDerWaalsContact O-N 3.14Å
362	V	88.8	Confident	94	Very high	17 Å²	17	60 Å²	60	10%	0.103	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-48.2	174.2	-178.7	0	0	0	0	110.8	I358 P359 D360 F424 M447 P448	I358-V362 HydrophobicContact CD1-CG1 4.14Å; P359-V362 HydrophobicContact CB-CG2 4.33Å; P359-V362 WeakPolarHBondContact O-CA 3.24Å; P359-V362 WeakPolarHBondContact O-CB 3.41Å; P359-V362 PolarHBondContact O-N 3.25Å; D360-V362 PolarHBondContact O-N 3.37Å; V362-F424 HydrophobicContact CG1-CD1 3.62Å; V362-F424 HydrophobicContact CG1-CE1 3.43Å; V362-F424 VanDerWaalsContact CG1-CE1 3.43Å; V362-F424 HydrophobicContact CG1-CZ 4.45Å; V362-M447 HydrophobicContact CB-CE 4.25Å; V362-M447 HydrophobicContact CG1-CE 3.73Å; V362-M447 HydrophobicContact CG2-CE 4.21Å; V362-P448 HydrophobicContact CG1-CG 3.56Å; V362-P448 HydrophobicContact CG2-CG 4.14Å
363	W	93.8	Very high	94.1	Very high	13 Å²	13	58.8 Å²	58.8	5%	0.049	34%	0.338	C	S	.	.			trans	-153.1	129.6	177.9	-165.3	-110.4	0	0	0	110.7	I358 P359 S365 R421 E425 C428 L429 E432	I358-W363 HydrophobicContact CD1-CB 3.38Å; I358-W363 HydrophobicContact CD1-CG 4.31Å; I358-W363 HydrophobicContact CG1-CB 3.95Å; P359-W363 PolarHBondContact O-N 2.84Å; P359-W363 VanDerWaalsContact O-N 3.1Å; W363-S365 PolarHBondContact NE1-OG 3.2Å; W363-S365 PolarHBondContact O-N 2.81Å; W363-R421 VanDerWaalsContact CH2-NH1 3.27Å; W363-E425 HydrophobicContact CE3-CB 4.24Å; W363-E425 HydrophobicContact CE3-CG 4.14Å; W363-E425 HydrophobicContact CZ3-CB 3.84Å; W363-E425 HydrophobicContact CZ3-CG 4.13Å; W363-E425 WeakPolarHBondContact CZ3-O 3.15Å; W363-C428 HydrophobicContact CD2-CB 3.44Å; W363-C428 VanDerWaalsContact CD2-CB 3.44Å; W363-C428 HydrophobicContact CE3-CB 3.7Å; W363-C428 HydrophobicContact CG-CB 3.89Å; W363-C428 HydrophobicContact CH2-CB 4.16Å; W363-C428 HydrophobicContact CZ2-CB 3.94Å; W363-C428 HydrophobicContact CZ3-CB 4.05Å; W363-L429 HydrophobicContact CH2-CD2 3.6Å; W363-L429 HydrophobicContact CH2-CG 3.63Å; W363-L429 HydrophobicContact CZ2-CD2 3.84Å; W363-L429 HydrophobicContact CZ2-CG 4.17Å; W363-E432 PolarHBondContact NE1-OE1 3.35Å
364	P	92.8	Very high	94.2	Very high	100 Å²	100	57.5 Å²	57.5	65%	0.649	32%	0.324	S	S	*	.	S	Bend	trans	-81.9	-14.7	-167.3	31.7	-37.3	0	0	0	115
365	S	94.1	Very high	94.3	Very high	40 Å²	40	52 Å²	52	28%	0.28	30%	0.303	S	S	.	.	S	Bend	trans	-114.8	145.7	-175.3	43.7	0	0	0	0	112	W363 L367 E432	W363-S365 PolarHBondContact NE1-OG 3.2Å; W363-S365 PolarHBondContact O-N 2.81Å; S365-L367 PolarHBondContact O-N 2.97Å; S365-E432 PolarHBondContact OG-OE1 2.92Å
366	P	95.5	Very high	94.1	Very high	67 Å²	67	57.1 Å²	57.1	44%	0.435	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-60.8	131.5	169.3	-20.4	32.5	0	0	0	110.5	P355 I356 H357	P355-P366 HydrophobicContact CB-CB 3.68Å; I356-P366 WeakPolarHBondContact O-CA 3.29Å; H357-P366 VanDerWaalsContact CE1-CG 3.41Å; H357-P366 WeakPolarHBondContact CE1-CG 3.4Å
367	L	97.5	Very high	93.9	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	34%	0.342	C	S	.	.	B	Isolated β-bridge	trans	-85.8	141.4	-179.8	-68.5	173.3	0	0	0	111	P355 I356 I358 S365 H369 C428 V431 E432 F438	P355-L367 CarbonylContact C-O 3.59Å; P355-L367 WeakPolarHBondContact CA-O 3.4Å; I356-L367 HydrophobicContact CB-CB 4.3Å; I356-L367 PolarHBondContact N-O 3.08Å; I356-L367 PolarHBondContact O-N 3Å; I358-L367 HydrophobicContact CD1-CD1 4.07Å; S365-L367 PolarHBondContact O-N 2.97Å; L367-H369 PolarHBondContact O-N 3.37Å; L367-C428 HydrophobicContact CD1-CB 4.34Å; L367-C428 HydrophobicContact CD2-CB 4.07Å; L367-V431 HydrophobicContact CB-CG1 4.22Å; L367-V431 HydrophobicContact CD2-CG1 4.46Å; L367-E432 HydrophobicContact CD2-CG 3.61Å; L367-F438 HydrophobicContact CD1-CD2 3.69Å; L367-F438 HydrophobicContact CD1-CE2 4.01Å
368	P	97.3	Very high	93.8	Very high	18 Å²	18	54.9 Å²	54.9	12%	0.117	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-65.1	133.9	174.3	26.8	-34.2	0	0	0	111.3	Q351 W370 V431	Q351-P368 HydrophobicContact CG-CB 4.26Å; P368-W370 VanDerWaalsContact CG-NE1 3.29Å; P368-W370 PolarHBondContact O-N 2.94Å; P368-W370 VanDerWaalsContact O-N 3.12Å; P368-V431 HydrophobicContact CG-CG1 4.39Å
369	H	97.7	Very high	93.7	Very high	51 Å²	51	56.2 Å²	56.2	24%	0.236	32%	0.321	C	S	.	.			trans	-81.4	92.1	175.3	-164.5	153.7	0	0	0	110.4	Q351 Q352 E354 I356 L367 E439	Q351-H369 WeakPolarHBondContact CA-O 3.39Å; Q352-H369 PolarHBondContact N-O 2.96Å; E354-H369 WeakPolarHBondContact O-CB 3.5Å; I356-H369 HydrophobicContact CD1-CB 4.19Å; I356-H369 HydrophobicContact CG1-CB 4.1Å; L367-H369 PolarHBondContact O-N 3.37Å; H369-E439 IonicContact NE2-OE1 3.95Å
370	W	97.7	Very high	93.6	Very high	38 Å²	38	58.8 Å²	58.8	14%	0.144	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	133.1	174.7	-67.8	103.2	0	0	0	112	L344 R349 Q351 P368 V431 G434 T437	L344-W370 HydrophobicContact CD1-CB 3.65Å; L344-W370 HydrophobicContact CD1-CD2 4.36Å; L344-W370 HydrophobicContact CD1-CG 3.95Å; R349-W370 HydrophobicContact CB-CE3 4.49Å; R349-W370 HydrophobicContact CG-CZ3 4.49Å; Q351-W370 HydrophobicContact CB-CD2 4.49Å; Q351-W370 HydrophobicContact CB-CE3 4.08Å; Q351-W370 HydrophobicContact CB-CH2 4.28Å; Q351-W370 HydrophobicContact CB-CZ3 3.97Å; P368-W370 VanDerWaalsContact CG-NE1 3.29Å; P368-W370 PolarHBondContact O-N 2.94Å; P368-W370 VanDerWaalsContact O-N 3.12Å; W370-V431 PolarHBondContact NE1-O 3.29Å; W370-G434 VanDerWaalsContact NE1-CA 3.33Å; W370-T437 HydrophobicContact CB-CG2 4.14Å; W370-T437 WeakPolarHBondContact O-CG2 3.34Å
371	Q	96.2	Very high	93.9	Very high	52 Å²	52	52.5 Å²	52.5	24%	0.243	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	146.5	173.4	-63.7	-170	-6.2	0	0	111.9	R350 Q352 P373	R350-Q371 HydrophobicContact CG-CB 4.14Å; R350-Q371 PolarHBondContact N-O 3.48Å; R350-Q371 PolarHBondContact O-N 3.09Å; Q352-Q371 HydrophobicContact CB-CG 4.16Å; Q371-P373 VanDerWaalsContact C-CD 3.41Å; Q371-P373 WeakPolarHBondContact O-CD 3.21Å
372	A	96.1	Very high	94.3	Very high	30 Å²	30	49.2 Å²	49.2	25%	0.248	28%	0.275	C	S	.	.			trans	-114.5	70.5	179.1	0	0	0	0	0	110.6	L344 G374 F382 T437	L344-A372 HydrophobicContact CD2-CB 3.7Å; A372-G374 PolarHBondContact O-N 2.88Å; A372-F382 HydrophobicContact CB-CD2 4.21Å; A372-F382 HydrophobicContact CB-CE2 3.62Å; A372-F382 HydrophobicContact CB-CZ 3.84Å; A372-T437 HydrophobicContact CB-CG2 4.48Å
373	P	94.9	Very high	94.6	Very high	66 Å²	66	54.1 Å²	54.1	43%	0.429	29%	0.293	S	S	.	.			trans	-68	-19.6	-171.2	27.3	-36.1	0	0	0	114.6	C348 Q371	C348-P373 HydrophobicContact CB-CG 4.1Å; C348-P373 WeakPolarHBondContact O-CD 3.35Å; C348-P373 WeakPolarHBondContact O-CG 3.35Å; Q371-P373 VanDerWaalsContact C-CD 3.41Å; Q371-P373 WeakPolarHBondContact O-CD 3.21Å
374	G	94.2	Very high	94.5	Very high	28 Å²	28	54.2 Å²	54.2	29%	0.289	30%	0.298	S	S	.	.			trans	86	150.4	-174.5	0	0	0	0	0	113.7	A372	A372-G374 PolarHBondContact O-N 2.88Å
375	C	95.1	Very high	94.6	Very high	47 Å²	47	54 Å²	54	32%	0.318	29%	0.285	S	S	.	.			trans	-158	-179	173.1	71	0	0	0	0	110	C348 H377 C378	C348-C375 HydrophobicContact CB-CB 3.84Å; C375-H377 PolarHBondContact O-N 2.81Å; C375-H377 VanDerWaalsContact O-N 3.16Å; C375-H377 PolarHBondContact SG-N 3.05Å; C375-C378 PolarHBondContact N-SG 3.3Å; C375-C378 PolarHBondContact O-N 2.95Å; C375-C378 VanDerWaalsContact SG-SG 3.67Å
376	I	92.2	Very high	94.7	Very high	160 Å²	160	53.5 Å²	53.5	82%	0.821	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-17	180	60.5	168.4	0	0	0	114.7
377	H	90.4	Very high	94.7	Very high	100 Å²	100	50.9 Å²	50.9	46%	0.463	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-3.4	-176.6	-59.9	-65.4	0	0	0	113.6	H347 C375 Y383	H347-H377 AromaticContact CD2-CD2 3.88Å; H347-H377 AromaticContact CD2-CG 3.87Å; H347-H377 AromaticContact CG-CD2 3.76Å; C375-H377 PolarHBondContact O-N 2.81Å; C375-H377 VanDerWaalsContact O-N 3.16Å; C375-H377 PolarHBondContact SG-N 3.05Å; H377-Y383 VanDerWaalsContact O-CD2 3.25Å; H377-Y383 WeakPolarHBondContact O-CD2 3.35Å
378	C	93.2	Very high	94.7	Very high	22 Å²	22	51.2 Å²	51.2	15%	0.149	27%	0.265	C	S	.	.	S	Bend	trans	-141.9	173.4	-171	72.3	0	0	0	0	111.9	C345 C375 G381 F382	C345-C378 HydrophobicContact CB-CB 3.5Å; C345-C378 VanDerWaalsContact CB-CB 3.5Å; C345-C378 VanDerWaalsContact SG-CB 3.53Å; C375-C378 PolarHBondContact N-SG 3.3Å; C375-C378 PolarHBondContact O-N 2.95Å; C375-C378 VanDerWaalsContact SG-SG 3.67Å; C378-G381 WeakPolarHBondContact SG-CA 3.5Å; C378-G381 PolarHBondContact SG-N 3.11Å; C378-F382 WeakPolarHBondContact CB-O 3.32Å
379	Y	90	Very high	94.8	Very high	49 Å²	49	50.4 Å²	50.4	19%	0.192	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-111.3	106.3	176	-158	-89.7	0	0	0	108.7	I105 H110 G381 F382	I105-Y379 HydrophobicContact CB-CD1 4.43Å; I105-Y379 HydrophobicContact CD1-CD1 4.02Å; I105-Y379 HydrophobicContact CD1-CD2 3.84Å; I105-Y379 HydrophobicContact CD1-CE1 3.83Å; I105-Y379 HydrophobicContact CD1-CE2 3.6Å; I105-Y379 HydrophobicContact CD1-CG 4.02Å; I105-Y379 HydrophobicContact CG2-CD1 4.31Å; I105-Y379 HydrophobicContact CG2-CG 4.14Å; H110-Y379 HydrophobicContact CB-CE1 3.86Å; H110-Y379 WeakPolarHBondContact CB-OH 3.48Å; H110-Y379 AromaticContact CD2-CD1 3.85Å; H110-Y379 AromaticContact CD2-CE1 3.35Å; H110-Y379 WeakPolarHBondContact CD2-CE1 3.44Å; H110-Y379 AromaticContact CE1-CD1 3.93Å; H110-Y379 AromaticContact CE1-CE1 3.55Å; H110-Y379 AromaticContact CG-CE1 3.27Å; H110-Y379 AromaticContact CG-CZ 3.93Å; H110-Y379 AromaticContact ND1-CE1 3.44Å; H110-Y379 WeakPolarHBondContact ND1-CE1 3.22Å; H110-Y379 AromaticContact NE2-CD1 3.68Å; H110-Y379 AromaticContact NE2-CE1 3.53Å; Y379-G381 PolarHBondContact O-N 3.45Å; Y379-F382 PolarHBondContact N-O 2.81Å; Y379-F382 PolarHBondContact O-N 3.28Å; Y379-F382 VanDerWaalsContact O-N 3.14Å
380	H	91.2	Very high	94.8	Very high	122 Å²	122	48.3 Å²	48.3	57%	0.565	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.1	41.1	-177	-71.4	-103.2	0	0	0	113.9	F382	H380-F382 VanDerWaalsContact C-N 3.34Å; H380-F382 VanDerWaalsContact O-CD2 3.31Å; H380-F382 WeakPolarHBondContact O-CD2 3.46Å; H380-F382 PolarHBondContact O-N 3.16Å
381	G	95.6	Very high	94.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	-0.5	175.1	0	0	0	0	0	115.1	C345 C378 Y379	C345-G381 WeakPolarHBondContact CB-O 3.21Å; C345-G381 PolarHBondContact N-O 2.84Å; C378-G381 WeakPolarHBondContact SG-CA 3.5Å; C378-G381 PolarHBondContact SG-N 3.11Å; Y379-G381 PolarHBondContact O-N 3.45Å
382	F	96.6	Very high	94.9	Very high	13 Å²	13	44.4 Å²	44.4	6%	0.057	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	147.5	178.6	-63.4	-86.5	0	0	0	112.3	R342 K343 L344 A372 C378 Y379 H380 T437 E440	R342-F382 HydrophobicContact CB-CB 3.99Å; R342-F382 HydrophobicContact CB-CD1 3.34Å; R342-F382 HydrophobicContact CB-CE1 3.92Å; R342-F382 HydrophobicContact CB-CG 3.73Å; K343-F382 CarbonylContact O-C 3.58Å; K343-F382 VanDerWaalsContact O-CA 3.24Å; K343-F382 WeakPolarHBondContact O-CA 3.31Å; K343-F382 WeakPolarHBondContact O-CD1 3.39Å; L344-F382 HydrophobicContact CD2-CE1 4.19Å; L344-F382 HydrophobicContact CG-CE1 4.36Å; A372-F382 HydrophobicContact CB-CD2 4.21Å; A372-F382 HydrophobicContact CB-CE2 3.62Å; A372-F382 HydrophobicContact CB-CZ 3.84Å; C378-F382 WeakPolarHBondContact CB-O 3.32Å; Y379-F382 PolarHBondContact N-O 2.81Å; Y379-F382 PolarHBondContact O-N 3.28Å; Y379-F382 VanDerWaalsContact O-N 3.14Å; H380-F382 VanDerWaalsContact C-N 3.34Å; H380-F382 VanDerWaalsContact O-CD2 3.31Å; H380-F382 WeakPolarHBondContact O-CD2 3.46Å; H380-F382 PolarHBondContact O-N 3.16Å; F382-T437 HydrophobicContact CE1-CG2 4.33Å; F382-T437 HydrophobicContact CZ-CG2 4.08Å; F382-E440 HydrophobicContact CE1-CB 4.37Å; F382-E440 HydrophobicContact CE1-CG 4.4Å; F382-E440 HydrophobicContact CZ-CB 4.36Å
383	Y	94.3	Very high	94.9	Very high	120 Å²	120	44.8 Å²	44.8	47%	0.471	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	101.4	176	-171.6	-87	0	0	0	110.8	K343 H377	K343-Y383 PolarHBondContact O-N 2.87Å; H377-Y383 VanDerWaalsContact O-CD2 3.25Å; H377-Y383 WeakPolarHBondContact O-CD2 3.35Å
384	G	93	Very high	94.9	Very high	16 Å²	16	42 Å²	42	17%	0.165	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	84.3	-172.3	-179.7	0	0	0	0	0	112.4	D106 K343	D106-G384 VanDerWaalsContact CG-N 3.35Å; D106-G384 VanDerWaalsContact OD1-CA 3.22Å; D106-G384 WeakPolarHBondContact OD1-CA 3.46Å; D106-G384 PolarHBondContact OD1-N 2.84Å; D106-G384 PolarHBondContact OD2-N 2.76Å; K343-G384 PolarHBondContact N-O 2.71Å
385	R	94.5	Very high	94.9	Very high	96 Å²	96	43.2 Å²	43.2	36%	0.362	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	152.2	-179.9	-65.3	-178.2	-71.1	174.3	2.5	110.1	D106 G215 L340 V341	D106-R385 HydrophobicContact CB-CG 4Å; D106-R385 WeakPolarHBondContact O-CD 3.41Å; G215-R385 PolarHBondContact O-NH1 2.91Å; L340-R385 HydrophobicContact CB-CB 4.27Å; L340-R385 HydrophobicContact CD1-CB 4.44Å; V341-R385 CarbonylContact O-C 3.46Å; V341-R385 WeakPolarHBondContact O-CA 3.4Å; V341-R385 WeakPolarHBondContact O-CB 3.38Å
386	T	94.8	Very high	94.9	Very high	29 Å²	29	45.8 Å²	45.8	18%	0.178	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	148.8	170.2	-168.9	0	0	0	0	109.3	L340 V341	L340-T386 WeakPolarHBondContact CA-O 3.39Å; V341-T386 HydrophobicContact CG2-CG2 3.61Å; V341-T386 PolarHBondContact N-O 2.93Å; V341-T386 PolarHBondContact O-N 3.48Å
387	A	96.5	Very high	94.9	Very high	11 Å²	11	42 Å²	42	9%	0.091	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	143.6	177.1	0	0	0	0	0	111.3	Q338 R339 L340 F389	Q338-A387 HydrophobicContact CG-CB 4.38Å; R339-A387 CarbonylContact O-C 3.53Å; R339-A387 VanDerWaalsContact O-CA 3.3Å; R339-A387 WeakPolarHBondContact O-CA 3.27Å; L340-A387 HydrophobicContact CD2-CB 3.63Å; A387-F389 HydrophobicContact CB-CD2 4.17Å; A387-F389 HydrophobicContact CB-CE1 4.23Å; A387-F389 HydrophobicContact CB-CE2 3.33Å; A387-F389 HydrophobicContact CB-CZ 3.36Å
388	L	97.9	Very high	95.1	Very high	7 Å²	7	37.5 Å²	37.5	4%	0.037	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	135.2	163.7	-56.5	-179.1	0	0	0	106.9	Q338 R339 V341 L423 A430 L441 L445	Q338-L388 WeakPolarHBondContact CA-O 3.22Å; R339-L388 PolarHBondContact N-O 3.17Å; R339-L388 PolarHBondContact O-N 2.84Å; V341-L388 HydrophobicContact CG1-CD1 3.61Å; V341-L388 HydrophobicContact CG1-CG 4.16Å; V341-L388 HydrophobicContact CG2-CD1 4.26Å; V341-L388 HydrophobicContact CG2-CD2 4.21Å; V341-L388 HydrophobicContact CG2-CG 4.06Å; L388-L423 HydrophobicContact CB-CD2 4.01Å; L388-L423 WeakPolarHBondContact O-CD2 3.33Å; L388-A430 HydrophobicContact CD2-CB 3.85Å; L388-L441 HydrophobicContact CD1-CD1 3.94Å; L388-L445 HydrophobicContact CD1-CD1 4.31Å
389	F	98.3	Very high	95.2	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.009	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	136.2	-178	-61.1	-85.8	0	0	0	109.8	L187 M189 Q193 I336 A337 Q338 A387 V391 N426	L187-F389 HydrophobicContact CB-CE2 4.32Å; L187-F389 HydrophobicContact CB-CZ 3.95Å; L187-F389 WeakPolarHBondContact O-CE2 3.25Å; M189-F389 HydrophobicContact CB-CD2 4.39Å; M189-F389 HydrophobicContact CE-CD1 3.75Å; M189-F389 HydrophobicContact CE-CE1 3.69Å; M189-F389 HydrophobicContact CE-CG 4.31Å; M189-F389 HydrophobicContact CE-CZ 4.22Å; M189-F389 HydrophobicContact CG-CB 4.5Å; M189-F389 HydrophobicContact CG-CD1 4.2Å; M189-F389 HydrophobicContact CG-CD2 3.61Å; M189-F389 HydrophobicContact CG-CE1 4.31Å; M189-F389 HydrophobicContact CG-CE2 3.75Å; M189-F389 HydrophobicContact CG-CG 3.85Å; M189-F389 HydrophobicContact CG-CZ 4.11Å; Q193-F389 PolarHBondContact NE2-O 3.4Å; I336-F389 HydrophobicContact CG2-CD1 3.76Å; A337-F389 WeakPolarHBondContact O-CA 3.47Å; Q338-F389 HydrophobicContact CB-CD1 4.47Å; Q338-F389 HydrophobicContact CG-CD1 4.05Å; Q338-F389 HydrophobicContact CG-CE1 3.8Å; Q338-F389 HydrophobicContact CG-CZ 4.45Å; A387-F389 HydrophobicContact CB-CD2 4.17Å; A387-F389 HydrophobicContact CB-CE1 4.23Å; A387-F389 HydrophobicContact CB-CE2 3.33Å; A387-F389 HydrophobicContact CB-CZ 3.36Å; F389-V391 HydrophobicContact CB-CG2 4.04Å; F389-N426 VanDerWaalsContact O-CG 3.28Å; F389-N426 PolarHBondContact O-ND2 3.13Å
390	E	97.9	Very high	95.3	Very high	7 Å²	7	44.1 Å²	44.1	3%	0.033	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	126.2	159.1	173.6	-173.8	115.1	0	0	106.2	T311 I336 A337 M420 T422 L423	T311-E390 WeakPolarHBondContact CB-OE1 3.39Å; T311-E390 HydrophobicContact CG2-CB 4.32Å; T311-E390 HydrophobicContact CG2-CG 3.78Å; T311-E390 WeakPolarHBondContact CG2-O 3.23Å; T311-E390 WeakPolarHBondContact CG2-OE1 3.4Å; T311-E390 PolarHBondContact N-OE1 3.4Å; T311-E390 PolarHBondContact OG1-OE1 3.2Å; I336-E390 CarbonylContact C-O 3.57Å; I336-E390 VanDerWaalsContact CA-O 3.31Å; I336-E390 WeakPolarHBondContact CA-O 3.21Å; A337-E390 HydrophobicContact CB-CB 4.27Å; A337-E390 PolarHBondContact N-O 3.48Å; A337-E390 PolarHBondContact O-N 2.92Å; E390-M420 HydrophobicContact CG-CE 4.41Å; E390-M420 HydrophobicContact CG-CG 4.36Å; E390-M420 HydrophobicContact CG-SD 4.1Å; E390-T422 VanDerWaalsContact OE2-CA 3.29Å; E390-T422 WeakPolarHBondContact OE2-CA 3.25Å; E390-L423 HydrophobicContact CB-CD2 4.22Å; E390-L423 HydrophobicContact CB-CG 3.79Å; E390-L423 PolarHBondContact OE2-N 2.8Å
391	V	98.1	Very high	95.4	Very high	5 Å²	5	39.7 Å²	39.7	3%	0.03	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	115.7	-169.6	-178.7	0	0	0	0	108.7	Q193 D196 L334 I336 F389 P393 M420	Q193-V391 HydrophobicContact CB-CB 4.32Å; Q193-V391 HydrophobicContact CB-CG2 3.79Å; Q193-V391 HydrophobicContact CG-CB 4.13Å; Q193-V391 HydrophobicContact CG-CG2 3.83Å; D196-V391 HydrophobicContact CB-CG1 4.13Å; L334-V391 HydrophobicContact CD1-CG1 3.55Å; L334-V391 HydrophobicContact CD2-CG1 4.34Å; L334-V391 HydrophobicContact CG-CG1 4.2Å; I336-V391 HydrophobicContact CG1-CG1 4.32Å; I336-V391 HydrophobicContact CG1-CG2 4.21Å; I336-V391 HydrophobicContact CG2-CG2 4.44Å; F389-V391 HydrophobicContact CB-CG2 4.04Å; V391-P393 VanDerWaalsContact O-CD 3.27Å; V391-P393 WeakPolarHBondContact O-CD 3.31Å; V391-M420 WeakPolarHBondContact O-CG 3.19Å
392	L	97.5	Very high	95.3	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	95.1	-179.3	178.5	63.7	0	0	0	109.6	T311 V335 I394 I398 L411 A415 M420	T311-L392 HydrophobicContact CG2-CB 3.82Å; V335-L392 HydrophobicContact CB-CB 4.42Å; V335-L392 PolarHBondContact N-O 3.16Å; V335-L392 PolarHBondContact O-N 2.88Å; L392-I394 HydrophobicContact CD2-CD1 4.2Å; L392-I394 HydrophobicContact CG-CD1 4.09Å; L392-I398 HydrophobicContact CD1-CD1 4.44Å; L392-I398 HydrophobicContact CD1-CG1 4.49Å; L392-L411 HydrophobicContact CD2-CD2 4.15Å; L392-A415 HydrophobicContact CD1-CB 3.54Å; L392-M420 HydrophobicContact CB-SD 3.84Å; L392-M420 HydrophobicContact CD1-SD 3.78Å; L392-M420 HydrophobicContact CG-SD 4.36Å
393	P	96.7	Very high	95.1	Very high	38 Å²	38	42 Å²	42	25%	0.247	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	133.3	169.6	28.1	-33	0	0	0	110.7	L334 V391 T395	L334-P393 HydrophobicContact CD1-CB 4.08Å; V391-P393 VanDerWaalsContact O-CD 3.27Å; V391-P393 WeakPolarHBondContact O-CD 3.31Å; P393-T395 VanDerWaalsContact C-N 3.34Å; P393-T395 PolarHBondContact O-N 2.77Å
394	I	95.7	Very high	94.9	Very high	9 Å²	9	39.7 Å²	39.7	5%	0.046	23%	0.228	C	C	.	.			trans	-87.2	77.7	-175.6	-54.4	-62.4	0	0	0	110.1	L332 T333 V335 L392 I398 R399 I402	L332-I394 HydrophobicContact CB-CG1 3.93Å; L332-I394 HydrophobicContact CB-CG2 4.39Å; L332-I394 WeakPolarHBondContact O-CG2 3.42Å; T333-I394 WeakPolarHBondContact O-CB 3.29Å; T333-I394 PolarHBondContact O-N 3.42Å; V335-I394 HydrophobicContact CG2-CD1 4.35Å; L392-I394 HydrophobicContact CD2-CD1 4.2Å; L392-I394 HydrophobicContact CG-CD1 4.09Å; I394-I398 HydrophobicContact CD1-CG2 3.92Å; I394-R399 HydrophobicContact CG2-CG 3.44Å; I394-R399 VanDerWaalsContact CG2-CG 3.44Å; I394-R399 PolarHBondContact O-NE 2.84Å; I394-R399 VanDerWaalsContact O-NE 3.07Å; I394-R399 PolarHBondContact O-NH2 3.31Å; I394-I402 HydrophobicContact CD1-CD1 4.11Å; I394-I402 HydrophobicContact CG2-CD1 4.35Å
395	T	93.8	Very high	94.5	Very high	53 Å²	53	42.1 Å²	42.1	33%	0.325	24%	0.237	S	C	.	.			trans	-71.2	164	178.2	71.5	0	0	0	0	112	P393 V397 I398 R399	P393-T395 VanDerWaalsContact C-N 3.34Å; P393-T395 PolarHBondContact O-N 2.77Å; T395-V397 PolarHBondContact O-N 2.93Å; T395-I398 PolarHBondContact O-N 3.5Å; T395-I398 VanDerWaalsContact O-N 3.09Å; T395-I398 WeakPolarHBondContact OG1-CG1 3.21Å; T395-I398 PolarHBondContact OG1-N 3.01Å; T395-R399 WeakPolarHBondContact O-CG 3.44Å; T395-R399 PolarHBondContact O-N 2.97Å
396	P	93.9	Very high	94	Very high	100 Å²	100	39.6 Å²	39.6	65%	0.649	23%	0.232	S	C	*	.	H	α-helix	trans	-53.2	-36.6	176.5	-29	36.7	0	0	0	114.2	R399 Q400	P396-R399 PolarHBondContact O-N 2.88Å; P396-Q400 WeakPolarHBondContact O-CG 3.11Å; P396-Q400 PolarHBondContact O-N 3.26Å; P396-Q400 VanDerWaalsContact O-N 3.13Å
397	V	93.6	Very high	93.8	Very high	82 Å²	82	42.1 Å²	42.1	50%	0.497	25%	0.245	S	C	.	.	H	α-helix	trans	-66.5	-49.4	176.1	177.4	0	0	0	0	110.5	T395 R399 Q400 L401	T395-V397 PolarHBondContact O-N 2.93Å; V397-R399 VanDerWaalsContact C-N 3.29Å; V397-R399 PolarHBondContact O-N 2.85Å; V397-Q400 WeakPolarHBondContact O-CB 3.33Å; V397-Q400 PolarHBondContact O-N 3.2Å; V397-Q400 VanDerWaalsContact O-N 3.13Å; V397-L401 HydrophobicContact CG1-CD1 4.48Å; V397-L401 WeakPolarHBondContact O-CG 3.24Å; V397-L401 PolarHBondContact O-N 2.82Å
398	I	94.4	Very high	93.4	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-61	-38.8	177.5	-62.2	-61.7	0	0	0	111	L392 I394 T395 Q400 L401 I402 A415	L392-I398 HydrophobicContact CD1-CD1 4.44Å; L392-I398 HydrophobicContact CD1-CG1 4.49Å; I394-I398 HydrophobicContact CD1-CG2 3.92Å; T395-I398 PolarHBondContact O-N 3.5Å; T395-I398 VanDerWaalsContact O-N 3.09Å; T395-I398 WeakPolarHBondContact OG1-CG1 3.21Å; T395-I398 PolarHBondContact OG1-N 3.01Å; I398-Q400 VanDerWaalsContact C-N 3.32Å; I398-Q400 PolarHBondContact O-N 2.81Å; I398-L401 HydrophobicContact CD1-CD1 4.34Å; I398-L401 PolarHBondContact O-N 3.12Å; I398-I402 HydrophobicContact CG2-CD1 3.82Å; I398-I402 HydrophobicContact CG2-CG1 4.29Å; I398-I402 VanDerWaalsContact O-CG1 3.27Å; I398-I402 WeakPolarHBondContact O-CG1 3.41Å; I398-I402 PolarHBondContact O-N 2.79Å; I398-A415 HydrophobicContact CD1-CB 4.29Å
399	R	94.2	Very high	93	Very high	72 Å²	72	50 Å²	50	27%	0.272	28%	0.283	S	S	.	.	H	α-helix	trans	-59.6	-40.6	174.9	-70.5	179.3	-165.9	-94.6	-2.7	112.6	S329 S330 L332 I394 T395 P396 V397 S403	S329-R399 WeakPolarHBondContact CB-O 3.33Å; S329-R399 WeakPolarHBondContact O-CD 3.31Å; S329-R399 WeakPolarHBondContact O-CG 3.35Å; S329-R399 PolarHBondContact O-NH1 3.49Å; S330-R399 PolarHBondContact O-NH1 2.79Å; L332-R399 VanDerWaalsContact O-CZ 3.26Å; L332-R399 PolarHBondContact O-NH1 3.34Å; L332-R399 PolarHBondContact O-NH2 2.93Å; I394-R399 HydrophobicContact CG2-CG 3.44Å; I394-R399 VanDerWaalsContact CG2-CG 3.44Å; I394-R399 PolarHBondContact O-NE 2.84Å; I394-R399 VanDerWaalsContact O-NE 3.07Å; I394-R399 PolarHBondContact O-NH2 3.31Å; T395-R399 WeakPolarHBondContact O-CG 3.44Å; T395-R399 PolarHBondContact O-N 2.97Å; P396-R399 PolarHBondContact O-N 2.88Å; V397-R399 VanDerWaalsContact C-N 3.29Å; V397-R399 PolarHBondContact O-N 2.85Å; R399-S403 WeakPolarHBondContact O-CB 3.49Å; R399-S403 PolarHBondContact O-N 3.47Å; R399-S403 PolarHBondContact O-OG 3.14Å
400	Q	93.6	Very high	92.6	Very high	139 Å²	139	51.9 Å²	51.9	65%	0.65	30%	0.297	S	S	*	.	H	α-helix	trans	-65.2	-45.5	176.2	-73.3	175.8	-9.5	0	0	111.2	P396 V397 I398 I402 S403 A404	P396-Q400 WeakPolarHBondContact O-CG 3.11Å; P396-Q400 PolarHBondContact O-N 3.26Å; P396-Q400 VanDerWaalsContact O-N 3.13Å; V397-Q400 WeakPolarHBondContact O-CB 3.33Å; V397-Q400 PolarHBondContact O-N 3.2Å; V397-Q400 VanDerWaalsContact O-N 3.13Å; I398-Q400 VanDerWaalsContact C-N 3.32Å; I398-Q400 PolarHBondContact O-N 2.81Å; Q400-I402 PolarHBondContact O-N 3.44Å; Q400-S403 PolarHBondContact O-N 3.36Å; Q400-A404 WeakPolarHBondContact O-CB 3.35Å; Q400-A404 PolarHBondContact O-N 3.1Å
401	L	93.3	Very high	92.3	Very high	28 Å²	28	51.9 Å²	51.9	15%	0.147	30%	0.297	C	S	.	.	H	α-helix	trans	-61.4	-43.1	177.5	-63.3	178.1	0	0	0	112.3	V397 I398 S403 A404 N405 T406 H414	V397-L401 HydrophobicContact CG1-CD1 4.48Å; V397-L401 WeakPolarHBondContact O-CG 3.24Å; V397-L401 PolarHBondContact O-N 2.82Å; I398-L401 HydrophobicContact CD1-CD1 4.34Å; I398-L401 PolarHBondContact O-N 3.12Å; L401-S403 VanDerWaalsContact C-N 3.32Å; L401-S403 PolarHBondContact O-N 2.96Å; L401-A404 PolarHBondContact O-N 2.91Å; L401-N405 PolarHBondContact O-N 3.41Å; L401-T406 HydrophobicContact CD2-CG2 4.31Å; L401-T406 PolarHBondContact O-N 2.78Å; L401-T406 PolarHBondContact O-OG1 3.4Å; L401-H414 HydrophobicContact CD1-CB 3.77Å
402	I	92.7	Very high	92.1	Very high	5 Å²	5	54.2 Å²	54.2	3%	0.026	31%	0.308	C	S	.	.	H	α-helix	trans	-59.1	-45.3	174.5	-68.3	169.6	0	0	0	110.7	L315 L328 I394 I398 Q400 A404 N405 L411	L315-I402 HydrophobicContact CD1-CD1 4.01Å; L315-I402 HydrophobicContact CD1-CG1 3.94Å; L315-I402 HydrophobicContact CD2-CD1 4.07Å; L328-I402 HydrophobicContact CB-CG2 4.14Å; I394-I402 HydrophobicContact CD1-CD1 4.11Å; I394-I402 HydrophobicContact CG2-CD1 4.35Å; I398-I402 HydrophobicContact CG2-CD1 3.82Å; I398-I402 HydrophobicContact CG2-CG1 4.29Å; I398-I402 VanDerWaalsContact O-CG1 3.27Å; I398-I402 WeakPolarHBondContact O-CG1 3.41Å; I398-I402 PolarHBondContact O-N 2.79Å; Q400-I402 PolarHBondContact O-N 3.44Å; I402-A404 VanDerWaalsContact C-N 3.35Å; I402-N405 PolarHBondContact O-N 2.86Å; I402-L411 HydrophobicContact CG1-CD1 3.9Å
403	S	91.5	Very high	91.8	Very high	56 Å²	56	57 Å²	57	39%	0.392	33%	0.325	S	S	.	.	H	α-helix	trans	-67.5	-36.7	-178.8	-55.6	0	0	0	0	112.1	S329 R399 Q400 L401 N405	S329-S403 WeakPolarHBondContact CB-OG 3.35Å; S329-S403 PolarHBondContact OG-OG 3.23Å; R399-S403 WeakPolarHBondContact O-CB 3.49Å; R399-S403 PolarHBondContact O-N 3.47Å; R399-S403 PolarHBondContact O-OG 3.14Å; Q400-S403 PolarHBondContact O-N 3.36Å; L401-S403 VanDerWaalsContact C-N 3.32Å; L401-S403 PolarHBondContact O-N 2.96Å; S403-N405 PolarHBondContact O-N 3.03Å
404	A	90.8	Very high	91.7	Very high	73 Å²	73	58.8 Å²	58.8	60%	0.603	33%	0.33	S	S	*	.	H	α-helix	trans	-74.7	-8.8	178.4	0	0	0	0	0	113.8	Q400 L401 I402 T406	Q400-A404 WeakPolarHBondContact O-CB 3.35Å; Q400-A404 PolarHBondContact O-N 3.1Å; L401-A404 PolarHBondContact O-N 2.91Å; I402-A404 VanDerWaalsContact C-N 3.35Å; A404-T406 VanDerWaalsContact C-N 3.28Å; A404-T406 PolarHBondContact O-N 3.47Å
405	N	84.7	Confident	91.6	Very high	66 Å²	66	58.5 Å²	58.5	35%	0.353	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	42.5	-173.1	-164.3	65.3	0	0	0	113.2	Q319 R325 L401 I402 S403	Q319-N405 PolarHBondContact OE1-OD1 3.39Å; R325-N405 PolarHBondContact NE-OD1 3.36Å; R325-N405 VanDerWaalsContact NH1-CB 3.28Å; R325-N405 PolarHBondContact NH2-ND2 2.89Å; R325-N405 VanDerWaalsContact NH2-ND2 3.18Å; R325-N405 PolarHBondContact NH2-OD1 3.09Å; R325-N405 VanDerWaalsContact NH2-OD1 3.11Å; L401-N405 PolarHBondContact O-N 3.41Å; I402-N405 PolarHBondContact O-N 2.86Å; S403-N405 PolarHBondContact O-N 3.03Å
406	T	85.1	Confident	91.6	Very high	43 Å²	43	60.7 Å²	60.7	26%	0.264	33%	0.331	S	S	.	.			trans	-56.3	144.9	168.1	-56.7	0	0	0	0	109.6	L401 A404 S410	L401-T406 HydrophobicContact CD2-CG2 4.31Å; L401-T406 PolarHBondContact O-N 2.78Å; L401-T406 PolarHBondContact O-OG1 3.4Å; A404-T406 VanDerWaalsContact C-N 3.28Å; A404-T406 PolarHBondContact O-N 3.47Å; T406-S410 VanDerWaalsContact CG2-CB 3.46Å
407	D	89.6	Confident	91.5	Very high	83 Å²	83	62.9 Å²	62.9	44%	0.444	33%	0.332	S	S	.	.			trans	-58.7	152.3	174.6	57.7	98.5	0	0	0	111.4	E409 S410 L411	D407-E409 PolarHBondContact O-N 3.44Å; D407-S410 PolarHBondContact O-N 2.97Å; D407-S410 WeakPolarHBondContact OD1-CB 3.46Å; D407-S410 PolarHBondContact OD1-N 3.07Å; D407-S410 PolarHBondContact OD1-OG 2.86Å; D407-S410 WeakPolarHBondContact OD2-CB 3.43Å; D407-S410 PolarHBondContact OD2-OG 3.32Å; D407-L411 PolarHBondContact O-N 3.48Å
408	V	88.2	Confident	91.4	Very high	57 Å²	57	62.8 Å²	62.8	35%	0.345	34%	0.34	S	S	.	.	H	α-helix	trans	-58.3	-40.4	-175.7	168.3	0	0	0	0	111.7	C312 V316 L411 E412	C312-V408 HydrophobicContact CB-CG1 3.71Å; V316-V408 HydrophobicContact CG2-CG2 3.28Å; V408-L411 PolarHBondContact O-N 2.92Å; V408-E412 WeakPolarHBondContact O-CB 3.43Å; V408-E412 PolarHBondContact O-N 3.31Å
409	E	89	Confident	91.3	Very high	126 Å²	126	64.5 Å²	64.5	59%	0.589	36%	0.359	S	S	*	.	H	α-helix	trans	-64.3	-51.4	-178.3	-175.4	175.5	-174.6	0	0	110.7	D407 L411 E412 T413	D407-E409 PolarHBondContact O-N 3.44Å; E409-L411 VanDerWaalsContact C-N 3.3Å; E409-L411 PolarHBondContact O-N 3.49Å; E409-E412 WeakPolarHBondContact O-CB 3.41Å; E409-E412 PolarHBondContact O-N 3.42Å; E409-E412 VanDerWaalsContact O-N 3.13Å; E409-T413 PolarHBondContact O-N 3.18Å; E409-T413 PolarHBondContact O-OG1 3.48Å
410	S	90.9	Very high	91.3	Very high	41 Å²	41	61.8 Å²	61.8	29%	0.287	35%	0.35	S	S	.	.	H	α-helix	trans	-60.4	-38.7	175.3	-66.7	0	0	0	0	112.3	T406 D407 T413 H414	T406-S410 VanDerWaalsContact CG2-CB 3.46Å; D407-S410 PolarHBondContact O-N 2.97Å; D407-S410 WeakPolarHBondContact OD1-CB 3.46Å; D407-S410 PolarHBondContact OD1-N 3.07Å; D407-S410 PolarHBondContact OD1-OG 2.86Å; D407-S410 WeakPolarHBondContact OD2-CB 3.43Å; D407-S410 PolarHBondContact OD2-OG 3.32Å; S410-T413 PolarHBondContact O-N 3.08Å; S410-H414 PolarHBondContact O-N 3.28Å; S410-H414 PolarHBondContact O-ND1 3.21Å
411	L	91.9	Very high	91.4	Very high	8 Å²	8	60.4 Å²	60.4	4%	0.042	34%	0.339	C	S	.	.	H	α-helix	trans	-63	-44.7	175.3	-170.6	153.6	0	0	0	111	C312 L315 L392 I402 D407 V408 E409 H414 A415	C312-L411 HydrophobicContact CB-CD2 4.35Å; C312-L411 WeakPolarHBondContact SG-CD2 3.49Å; L315-L411 HydrophobicContact CD1-CD1 3.63Å; L315-L411 HydrophobicContact CD1-CD2 4.1Å; L392-L411 HydrophobicContact CD2-CD2 4.15Å; I402-L411 HydrophobicContact CG1-CD1 3.9Å; D407-L411 PolarHBondContact O-N 3.48Å; V408-L411 PolarHBondContact O-N 2.92Å; E409-L411 VanDerWaalsContact C-N 3.3Å; E409-L411 PolarHBondContact O-N 3.49Å; L411-H414 PolarHBondContact O-N 3.16Å; L411-A415 WeakPolarHBondContact O-CB 3.24Å; L411-A415 PolarHBondContact O-N 3.38Å
412	E	92.4	Very high	91.5	Very high	54 Å²	54	59.9 Å²	59.9	25%	0.252	34%	0.336	S	S	.	.	H	α-helix	trans	-62.8	-43.5	176.1	-170.9	177.3	154.2	0	0	111.6	V408 E409 H414 A415 R416 M420 T422	V408-E412 WeakPolarHBondContact O-CB 3.43Å; V408-E412 PolarHBondContact O-N 3.31Å; E409-E412 WeakPolarHBondContact O-CB 3.41Å; E409-E412 PolarHBondContact O-N 3.42Å; E409-E412 VanDerWaalsContact O-N 3.13Å; E412-H414 VanDerWaalsContact C-N 3.35Å; E412-H414 PolarHBondContact O-N 3.33Å; E412-A415 PolarHBondContact O-N 2.97Å; E412-R416 HydrophobicContact CG-CG 4.34Å; E412-R416 WeakPolarHBondContact O-CB 3.26Å; E412-R416 VanDerWaalsContact O-CG 3.32Å; E412-R416 WeakPolarHBondContact O-CG 3.26Å; E412-R416 PolarHBondContact O-N 3.31Å; E412-M420 HydrophobicContact CG-CE 4.19Å; E412-T422 WeakPolarHBondContact OE1-CG2 3.48Å
413	T	92.5	Very high	91.6	Very high	60 Å²	60	60 Å²	60	37%	0.368	34%	0.337	S	S	.	.	H	α-helix	trans	-56.7	-47.4	175.4	-54.4	0	0	0	0	111.4	E409 S410 R416 Q417	E409-T413 PolarHBondContact O-N 3.18Å; E409-T413 PolarHBondContact O-OG1 3.48Å; S410-T413 PolarHBondContact O-N 3.08Å; T413-R416 PolarHBondContact O-N 2.75Å; T413-Q417 WeakPolarHBondContact O-CB 3.43Å; T413-Q417 VanDerWaalsContact O-CG 3.27Å; T413-Q417 WeakPolarHBondContact O-CG 3.39Å; T413-Q417 PolarHBondContact O-N 3.48Å
414	H	93.1	Very high	91.9	Very high	76 Å²	76	58 Å²	58	35%	0.352	32%	0.321	S	S	.	.	H	α-helix	trans	-66.2	-39	178.3	-74.9	82.1	0	0	0	112	L401 S410 L411 E412 Q417 A418	L401-H414 HydrophobicContact CD1-CB 3.77Å; S410-H414 PolarHBondContact O-N 3.28Å; S410-H414 PolarHBondContact O-ND1 3.21Å; L411-H414 PolarHBondContact O-N 3.16Å; E412-H414 VanDerWaalsContact C-N 3.35Å; E412-H414 PolarHBondContact O-N 3.33Å; H414-Q417 PolarHBondContact O-N 3.32Å; H414-A418 WeakPolarHBondContact O-CB 3.26Å; H414-A418 PolarHBondContact O-N 3.23Å
415	A	94	Very high	92.1	Very high	3 Å²	3	55.7 Å²	55.7	3%	0.025	30%	0.298	C	S	.	.	H	α-helix	trans	-63.4	-43.2	175.5	0	0	0	0	0	111.6	L392 I398 L411 E412 A418 G419 M420	L392-A415 HydrophobicContact CD1-CB 3.54Å; I398-A415 HydrophobicContact CD1-CB 4.29Å; L411-A415 WeakPolarHBondContact O-CB 3.24Å; L411-A415 PolarHBondContact O-N 3.38Å; E412-A415 PolarHBondContact O-N 2.97Å; A415-A418 CarbonylContact O-C 3.57Å; A415-A418 WeakPolarHBondContact O-CB 3.2Å; A415-A418 PolarHBondContact O-N 3.3Å; A415-A418 VanDerWaalsContact O-N 3.15Å; A415-G419 PolarHBondContact O-N 2.85Å; A415-M420 HydrophobicContact CB-CB 4.12Å; A415-M420 HydrophobicContact CB-CE 3.56Å; A415-M420 HydrophobicContact CB-SD 3.78Å; A415-M420 WeakPolarHBondContact O-CB 3.27Å; A415-M420 PolarHBondContact O-N 3.26Å
416	R	93.4	Very high	92.7	Very high	98 Å²	98	52.8 Å²	52.8	37%	0.37	28%	0.283	S	S	.	.	H	α-helix	trans	-63.8	-42.3	176.1	-71.3	175.1	73.2	-160.9	0.1	111.9	E412 T413 A418 G419 M420 T422 E425	E412-R416 HydrophobicContact CG-CG 4.34Å; E412-R416 WeakPolarHBondContact O-CB 3.26Å; E412-R416 VanDerWaalsContact O-CG 3.32Å; E412-R416 WeakPolarHBondContact O-CG 3.26Å; E412-R416 PolarHBondContact O-N 3.31Å; T413-R416 PolarHBondContact O-N 2.75Å; R416-A418 PolarHBondContact O-N 3.39Å; R416-G419 PolarHBondContact O-N 2.83Å; R416-M420 WeakPolarHBondContact CA-O 3.33Å; R416-M420 HydrophobicContact CG-CE 4.31Å; R416-T422 HydrophobicContact CG-CG2 4.39Å; R416-E425 IonicContact CZ-OE1 3.58Å; R416-E425 IonicContact NE-OE1 2.97Å; R416-E425 PolarHBondContact NE-OE1 3.19Å; R416-E425 IonicContact NH2-OE1 3.26Å; R416-E425 PolarHBondContact NH2-OE1 2.94Å
417	Q	92.2	Very high	93.3	Very high	146 Å²	146	50.8 Å²	50.8	68%	0.682	27%	0.27	S	S	*	.	H	α-helix	trans	-61.5	-32.2	172.9	-73.4	172.7	-0.7	0	0	112.7	T413 H414 G419	T413-Q417 WeakPolarHBondContact O-CB 3.43Å; T413-Q417 VanDerWaalsContact O-CG 3.27Å; T413-Q417 WeakPolarHBondContact O-CG 3.39Å; T413-Q417 PolarHBondContact O-N 3.48Å; H414-Q417 PolarHBondContact O-N 3.32Å; Q417-G419 PolarHBondContact O-N 3Å
418	A	91.9	Very high	93.7	Very high	80 Å²	80	46.8 Å²	46.8	66%	0.661	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	2.1	173.9	0	0	0	0	0	113.8	H414 A415 R416	H414-A418 WeakPolarHBondContact O-CB 3.26Å; H414-A418 PolarHBondContact O-N 3.23Å; A415-A418 CarbonylContact O-C 3.57Å; A415-A418 WeakPolarHBondContact O-CB 3.2Å; A415-A418 PolarHBondContact O-N 3.3Å; A415-A418 VanDerWaalsContact O-N 3.15Å; R416-A418 PolarHBondContact O-N 3.39Å
419	G	91.8	Very high	94.1	Very high	41 Å²	41	45.3 Å²	45.3	42%	0.423	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	101.2	2.6	175.7	0	0	0	0	0	115.2	A415 R416 Q417 R421	A415-G419 PolarHBondContact O-N 2.85Å; R416-G419 PolarHBondContact O-N 2.83Å; Q417-G419 PolarHBondContact O-N 3Å; G419-R421 PolarHBondContact O-N 3.25Å
420	M	94.8	Very high	94.5	Very high	15 Å²	15	39.6 Å²	39.6	7%	0.074	21%	0.213	C	C	.	.			trans	-64	134.4	171.4	-175	-178.9	81.1	0	0	109.9	E390 V391 L392 E412 A415 R416	E390-M420 HydrophobicContact CG-CE 4.41Å; E390-M420 HydrophobicContact CG-CG 4.36Å; E390-M420 HydrophobicContact CG-SD 4.1Å; V391-M420 WeakPolarHBondContact O-CG 3.19Å; L392-M420 HydrophobicContact CB-SD 3.84Å; L392-M420 HydrophobicContact CD1-SD 3.78Å; L392-M420 HydrophobicContact CG-SD 4.36Å; E412-M420 HydrophobicContact CG-CE 4.19Å; A415-M420 HydrophobicContact CB-CB 4.12Å; A415-M420 HydrophobicContact CB-CE 3.56Å; A415-M420 HydrophobicContact CB-SD 3.78Å; A415-M420 WeakPolarHBondContact O-CB 3.27Å; A415-M420 PolarHBondContact O-N 3.26Å; R416-M420 WeakPolarHBondContact CA-O 3.33Å; R416-M420 HydrophobicContact CG-CE 4.31Å
421	R	95	Very high	94.8	Very high	110 Å²	110	37.6 Å²	37.6	42%	0.415	20%	0.199	S	C	.	.			trans	-104.8	136.8	168	-71.6	179	-174.3	-100.8	1.7	110.2	W363 G419 E425 N426	W363-R421 VanDerWaalsContact CH2-NH1 3.27Å; G419-R421 PolarHBondContact O-N 3.25Å; R421-E425 WeakPolarHBondContact CA-OE2 3.43Å; R421-E425 HydrophobicContact CB-CB 4.13Å; R421-N426 WeakPolarHBondContact CB-ND2 3.43Å; R421-N426 PolarHBondContact O-ND2 3.38Å
422	T	95.2	Very high	95.1	Very high	16 Å²	16	40.7 Å²	40.7	10%	0.098	21%	0.213	C	C	.	.			trans	-66.3	165.3	175.6	69.8	0	0	0	0	111.3	E390 E412 R416 F424 E425 N426	E390-T422 VanDerWaalsContact OE2-CA 3.29Å; E390-T422 WeakPolarHBondContact OE2-CA 3.25Å; E412-T422 WeakPolarHBondContact OE1-CG2 3.48Å; R416-T422 HydrophobicContact CG-CG2 4.39Å; T422-F424 PolarHBondContact O-N 3.16Å; T422-F424 PolarHBondContact OG1-N 3.12Å; T422-E425 PolarHBondContact N-OE2 3.42Å; T422-E425 PolarHBondContact O-N 2.79Å; T422-E425 WeakPolarHBondContact OG1-CG 3.4Å; T422-E425 PolarHBondContact OG1-N 2.93Å; T422-E425 VanDerWaalsContact OG1-N 3.15Å; T422-N426 PolarHBondContact O-N 3.36Å; T422-N426 PolarHBondContact O-ND2 3.44Å
423	L	96.6	Very high	95.2	Very high	9 Å²	9	42.5 Å²	42.5	5%	0.047	22%	0.222	C	C	.	.	H	α-helix	trans	-55.5	-38.1	172.1	-82.6	172.5	0	0	0	112.2	N309 A337 R339 L388 E390 G427 L445	N309-L423 WeakPolarHBondContact O-CD1 3.19Å; A337-L423 HydrophobicContact CB-CD1 4.04Å; A337-L423 HydrophobicContact CB-CG 4.47Å; A337-L423 WeakPolarHBondContact O-CD2 3.45Å; R339-L423 HydrophobicContact CB-CD2 4.41Å; R339-L423 HydrophobicContact CG-CD1 3.86Å; R339-L423 HydrophobicContact CG-CD2 4.4Å; L388-L423 HydrophobicContact CB-CD2 4.01Å; L388-L423 WeakPolarHBondContact O-CD2 3.33Å; E390-L423 HydrophobicContact CB-CD2 4.22Å; E390-L423 HydrophobicContact CB-CG 3.79Å; E390-L423 PolarHBondContact OE2-N 2.8Å; L423-G427 PolarHBondContact O-N 3.45Å; L423-L445 HydrophobicContact CB-CD1 3.91Å; L423-L445 HydrophobicContact CB-CD2 4.09Å; L423-L445 HydrophobicContact CD1-CD2 4.22Å; L423-L445 WeakPolarHBondContact O-CD1 3.46Å
424	F	96.4	Very high	95.4	Very high	13 Å²	13	39.6 Å²	39.6	6%	0.057	20%	0.204	C	C	.	.	H	α-helix	trans	-69.7	-46.1	-179.4	-168.1	-90.6	0	0	0	111.5	I358 V362 T422 N426 G427 C428 F438 L441 I442 L445 G446 M447 P448	I358-F424 HydrophobicContact CD1-CE1 3.98Å; V362-F424 HydrophobicContact CG1-CD1 3.62Å; V362-F424 HydrophobicContact CG1-CE1 3.43Å; V362-F424 VanDerWaalsContact CG1-CE1 3.43Å; V362-F424 HydrophobicContact CG1-CZ 4.45Å; T422-F424 PolarHBondContact O-N 3.16Å; T422-F424 PolarHBondContact OG1-N 3.12Å; F424-N426 VanDerWaalsContact C-N 3.35Å; F424-N426 PolarHBondContact O-N 2.8Å; F424-G427 CarbonylContact O-C 3.54Å; F424-G427 VanDerWaalsContact O-CA 3.27Å; F424-G427 WeakPolarHBondContact O-CA 3.46Å; F424-G427 PolarHBondContact O-N 2.76Å; F424-C428 WeakPolarHBondContact CE1-SG 3.29Å; F424-C428 PolarHBondContact O-N 3.01Å; F424-C428 PolarHBondContact O-SG 3.34Å; F424-C428 VanDerWaalsContact O-SG 3.41Å; F424-F438 HydrophobicContact CZ-CE2 4.12Å; F424-L441 HydrophobicContact CD2-CD2 4.35Å; F424-L441 HydrophobicContact CD2-CG 4.27Å; F424-L441 HydrophobicContact CE2-CD2 4.04Å; F424-L441 HydrophobicContact CE2-CG 4.04Å; F424-L441 HydrophobicContact CZ-CD2 4.16Å; F424-I442 HydrophobicContact CE2-CD1 3.81Å; F424-I442 HydrophobicContact CZ-CD1 4.05Å; F424-L445 HydrophobicContact CB-CD1 4.24Å; F424-L445 HydrophobicContact CD2-CB 4.26Å; F424-L445 HydrophobicContact CD2-CD1 4.29Å; F424-G446 WeakPolarHBondContact CE2-O 3.45Å; F424-M447 HydrophobicContact CE1-CE 3.86Å; F424-M447 HydrophobicContact CE2-SD 4.23Å; F424-M447 HydrophobicContact CZ-CE 3.61Å; F424-M447 HydrophobicContact CZ-SD 3.69Å; F424-P448 HydrophobicContact CD1-CG 3.9Å; F424-P448 VanDerWaalsContact CD2-CD 3.46Å; F424-P448 HydrophobicContact CD2-CG 4.21Å; F424-P448 HydrophobicContact CE1-CG 4.12Å; F424-P448 VanDerWaalsContact CE2-CD 3.44Å; F424-P448 HydrophobicContact CE2-CG 4.41Å; F424-P448 HydrophobicContact CG-CG 3.94Å; F424-P448 HydrophobicContact CZ-CG 4.36Å
425	E	96	Very high	95.6	Very high	24 Å²	24	38.1 Å²	38.1	11%	0.112	20%	0.199	C	C	.	.	H	α-helix	trans	-60.7	-41.4	176.6	-72.9	169.1	161.4	0	0	112.1	W363 R416 R421 T422 G427 C428 L429	W363-E425 HydrophobicContact CE3-CB 4.24Å; W363-E425 HydrophobicContact CE3-CG 4.14Å; W363-E425 HydrophobicContact CZ3-CB 3.84Å; W363-E425 HydrophobicContact CZ3-CG 4.13Å; W363-E425 WeakPolarHBondContact CZ3-O 3.15Å; R416-E425 IonicContact CZ-OE1 3.58Å; R416-E425 IonicContact NE-OE1 2.97Å; R416-E425 PolarHBondContact NE-OE1 3.19Å; R416-E425 IonicContact NH2-OE1 3.26Å; R416-E425 PolarHBondContact NH2-OE1 2.94Å; R421-E425 WeakPolarHBondContact CA-OE2 3.43Å; R421-E425 HydrophobicContact CB-CB 4.13Å; T422-E425 PolarHBondContact N-OE2 3.42Å; T422-E425 PolarHBondContact O-N 2.79Å; T422-E425 WeakPolarHBondContact OG1-CG 3.4Å; T422-E425 PolarHBondContact OG1-N 2.93Å; T422-E425 VanDerWaalsContact OG1-N 3.15Å; E425-G427 VanDerWaalsContact C-N 3.27Å; E425-G427 PolarHBondContact O-N 2.94Å; E425-C428 WeakPolarHBondContact O-CB 3.47Å; E425-C428 PolarHBondContact O-N 2.79Å; E425-L429 PolarHBondContact O-N 3.14Å; E425-L429 VanDerWaalsContact O-N 3.09Å
426	N	97.1	Very high	95.8	Very high	6 Å²	6	38 Å²	38	3%	0.032	20%	0.197	C	C	.	.	H	α-helix	trans	-66.9	-31	172.4	-74.2	-69.5	0	0	0	112.4	Q193 F389 R421 T422 F424 L429 A430	Q193-N426 PolarHBondContact NE2-ND2 2.89Å; Q193-N426 PolarHBondContact NE2-OD1 2.84Å; F389-N426 VanDerWaalsContact O-CG 3.28Å; F389-N426 PolarHBondContact O-ND2 3.13Å; R421-N426 WeakPolarHBondContact CB-ND2 3.43Å; R421-N426 PolarHBondContact O-ND2 3.38Å; T422-N426 PolarHBondContact O-N 3.36Å; T422-N426 PolarHBondContact O-ND2 3.44Å; F424-N426 VanDerWaalsContact C-N 3.35Å; F424-N426 PolarHBondContact O-N 2.8Å; N426-L429 PolarHBondContact O-N 2.82Å; N426-A430 PolarHBondContact O-N 3.39Å
427	G	97.6	Very high	96	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-64.1	-42.8	169.7	0	0	0	0	0	113.1	L423 F424 E425 L429 A430 V431	L423-G427 PolarHBondContact O-N 3.45Å; F424-G427 CarbonylContact O-C 3.54Å; F424-G427 VanDerWaalsContact O-CA 3.27Å; F424-G427 WeakPolarHBondContact O-CA 3.46Å; F424-G427 PolarHBondContact O-N 2.76Å; E425-G427 VanDerWaalsContact C-N 3.27Å; E425-G427 PolarHBondContact O-N 2.94Å; G427-L429 VanDerWaalsContact C-N 3.34Å; G427-L429 PolarHBondContact O-N 2.82Å; G427-A430 WeakPolarHBondContact O-CB 3.2Å; G427-A430 PolarHBondContact O-N 3.38Å; G427-A430 VanDerWaalsContact O-N 3.11Å; G427-V431 WeakPolarHBondContact O-CG2 3.29Å; G427-V431 PolarHBondContact O-N 2.85Å
428	C	97.7	Very high	96.3	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-58.7	-45.1	173.9	-67.5	0	0	0	0	111.2	W363 L367 F424 E425 A430 V431 E432	W363-C428 HydrophobicContact CD2-CB 3.44Å; W363-C428 VanDerWaalsContact CD2-CB 3.44Å; W363-C428 HydrophobicContact CE3-CB 3.7Å; W363-C428 HydrophobicContact CG-CB 3.89Å; W363-C428 HydrophobicContact CH2-CB 4.16Å; W363-C428 HydrophobicContact CZ2-CB 3.94Å; W363-C428 HydrophobicContact CZ3-CB 4.05Å; L367-C428 HydrophobicContact CD1-CB 4.34Å; L367-C428 HydrophobicContact CD2-CB 4.07Å; F424-C428 WeakPolarHBondContact CE1-SG 3.29Å; F424-C428 PolarHBondContact O-N 3.01Å; F424-C428 PolarHBondContact O-SG 3.34Å; F424-C428 VanDerWaalsContact O-SG 3.41Å; E425-C428 WeakPolarHBondContact O-CB 3.47Å; E425-C428 PolarHBondContact O-N 2.79Å; C428-A430 VanDerWaalsContact C-N 3.31Å; C428-A430 PolarHBondContact O-N 2.87Å; C428-V431 WeakPolarHBondContact O-CA 3.14Å; C428-V431 WeakPolarHBondContact O-CB 3.4Å; C428-V431 PolarHBondContact O-N 3.4Å; C428-V431 VanDerWaalsContact O-N 3.09Å; C428-E432 PolarHBondContact O-N 2.9Å
429	L	96.6	Very high	96.5	Very high	26 Å²	26	28.5 Å²	28.5	14%	0.136	14%	0.144	C	C	.	.	H	α-helix	trans	-57.8	-42.7	172.4	-69.8	173.6	0	0	0	112.3	W363 E425 N426 G427 V431 E432 Q433	W363-L429 HydrophobicContact CH2-CD2 3.6Å; W363-L429 HydrophobicContact CH2-CG 3.63Å; W363-L429 HydrophobicContact CZ2-CD2 3.84Å; W363-L429 HydrophobicContact CZ2-CG 4.17Å; E425-L429 PolarHBondContact O-N 3.14Å; E425-L429 VanDerWaalsContact O-N 3.09Å; N426-L429 PolarHBondContact O-N 2.82Å; G427-L429 VanDerWaalsContact C-N 3.34Å; G427-L429 PolarHBondContact O-N 2.82Å; L429-V431 VanDerWaalsContact C-N 3.27Å; L429-V431 PolarHBondContact O-N 3.33Å; L429-E432 PolarHBondContact O-N 3.08Å; L429-Q433 WeakPolarHBondContact O-CB 3.1Å; L429-Q433 VanDerWaalsContact O-CG 3.23Å; L429-Q433 WeakPolarHBondContact O-CG 3.24Å; L429-Q433 PolarHBondContact O-N 3.2Å
430	A	97.5	Very high	96.8	Very high	5 Å²	5	26.7 Å²	26.7	4%	0.041	12%	0.124	C	C	.	.	H	α-helix	trans	-64.9	-31.9	177.5	0	0	0	0	0	112.4	L388 N426 G427 C428 G434 L435 T436	L388-A430 HydrophobicContact CD2-CB 3.85Å; N426-A430 PolarHBondContact O-N 3.39Å; G427-A430 WeakPolarHBondContact O-CB 3.2Å; G427-A430 PolarHBondContact O-N 3.38Å; G427-A430 VanDerWaalsContact O-N 3.11Å; C428-A430 VanDerWaalsContact C-N 3.31Å; C428-A430 PolarHBondContact O-N 2.87Å; A430-G434 PolarHBondContact O-N 2.86Å; A430-L435 HydrophobicContact CB-CB 4.34Å; A430-L435 HydrophobicContact CB-CD1 4.41Å; A430-L435 WeakPolarHBondContact O-CB 3.37Å; A430-L435 PolarHBondContact O-N 3.36Å; A430-T436 HydrophobicContact CB-CG2 4.03Å
431	V	98	Very high	96.9	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-69.4	-46.2	171.5	175.7	0	0	0	0	110.5	L367 P368 W370 G427 C428 L429 Q433 G434 T436 F438 L441	L367-V431 HydrophobicContact CB-CG1 4.22Å; L367-V431 HydrophobicContact CD2-CG1 4.46Å; P368-V431 HydrophobicContact CG-CG1 4.39Å; W370-V431 PolarHBondContact NE1-O 3.29Å; G427-V431 WeakPolarHBondContact O-CG2 3.29Å; G427-V431 PolarHBondContact O-N 2.85Å; C428-V431 WeakPolarHBondContact O-CA 3.14Å; C428-V431 WeakPolarHBondContact O-CB 3.4Å; C428-V431 PolarHBondContact O-N 3.4Å; C428-V431 VanDerWaalsContact O-N 3.09Å; L429-V431 VanDerWaalsContact C-N 3.27Å; L429-V431 PolarHBondContact O-N 3.33Å; V431-Q433 PolarHBondContact O-N 2.95Å; V431-G434 PolarHBondContact O-N 3Å; V431-T436 HydrophobicContact CG2-CG2 3.81Å; V431-F438 HydrophobicContact CG1-CB 4.47Å; V431-L441 HydrophobicContact CG2-CB 4.47Å; V431-L441 HydrophobicContact CG2-CD2 4.26Å
432	E	96.9	Very high	97	Very high	72 Å²	72	23.1 Å²	23.1	34%	0.336	11%	0.113	S	C	.	.	H	α-helix	trans	-56.3	-39.3	175.7	-70.5	-178.3	156.1	0	0	111.9	W363 S365 L367 C428 L429 G434	W363-E432 PolarHBondContact NE1-OE1 3.35Å; S365-E432 PolarHBondContact OG-OE1 2.92Å; L367-E432 HydrophobicContact CD2-CG 3.61Å; C428-E432 PolarHBondContact O-N 2.9Å; L429-E432 PolarHBondContact O-N 3.08Å; E432-G434 PolarHBondContact O-N 3.02Å
433	Q	95.6	Very high	97	Very high	92 Å²	92	28.1 Å²	28.1	43%	0.43	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-3.8	177.2	-66.3	168.5	8.4	0	0	114.2	L429 V431 L435	L429-Q433 WeakPolarHBondContact O-CB 3.1Å; L429-Q433 VanDerWaalsContact O-CG 3.23Å; L429-Q433 WeakPolarHBondContact O-CG 3.24Å; L429-Q433 PolarHBondContact O-N 3.2Å; V431-Q433 PolarHBondContact O-N 2.95Å; Q433-L435 HydrophobicContact CB-CD1 4.26Å; Q433-L435 HydrophobicContact CB-CG 3.96Å; Q433-L435 PolarHBondContact O-N 3.14Å
434	G	96.6	Very high	97	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	26.7	-177	0	0	0	0	0	113.9	R349 W370 A430 V431 E432	R349-G434 PolarHBondContact NH1-O 3.38Å; W370-G434 VanDerWaalsContact NE1-CA 3.33Å; A430-G434 PolarHBondContact O-N 2.86Å; V431-G434 PolarHBondContact O-N 3Å; E432-G434 PolarHBondContact O-N 3.02Å
435	L	97.1	Very high	96.9	Very high	44 Å²	44	31 Å²	31	23%	0.23	15%	0.147	C	C	.	.	S	Bend	trans	-80.2	-32.1	175.3	-62.7	178.7	0	0	0	111.8	K343 L344 A430 Q433	K343-L435 CarbonylContact C-O 3.59Å; K343-L435 VanDerWaalsContact CA-O 3.28Å; K343-L435 WeakPolarHBondContact CA-O 3.28Å; L344-L435 PolarHBondContact N-O 3.28Å; A430-L435 HydrophobicContact CB-CB 4.34Å; A430-L435 HydrophobicContact CB-CD1 4.41Å; A430-L435 WeakPolarHBondContact O-CB 3.37Å; A430-L435 PolarHBondContact O-N 3.36Å; Q433-L435 HydrophobicContact CB-CD1 4.26Å; Q433-L435 HydrophobicContact CB-CG 3.96Å; Q433-L435 PolarHBondContact O-N 3.14Å
436	T	97.9	Very high	96.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	-143.3	174.5	178.4	-172.2	0	0	0	0	110.1	V341 R342 L344 A430 V431 E440	V341-T436 HydrophobicContact CG2-CG2 4.13Å; R342-T436 PolarHBondContact O-OG1 2.97Å; L344-T436 WeakPolarHBondContact CD1-O 3.42Å; A430-T436 HydrophobicContact CB-CG2 4.03Å; V431-T436 HydrophobicContact CG2-CG2 3.81Å; T436-E440 WeakPolarHBondContact OG1-CB 3.49Å; T436-E440 VanDerWaalsContact OG1-CG 3.24Å; T436-E440 WeakPolarHBondContact OG1-CG 3.26Å
437	T	97.7	Very high	96.6	Very high	7 Å²	7	34.6 Å²	34.6	4%	0.043	17%	0.173	C	C	.	.			trans	-98.5	161.6	171.4	82.7	0	0	0	0	111.3	L344 W370 A372 F382 E439 E440 L441	L344-T437 HydrophobicContact CD1-CG2 4Å; L344-T437 HydrophobicContact CD2-CG2 3.65Å; L344-T437 HydrophobicContact CG-CG2 4Å; W370-T437 HydrophobicContact CB-CG2 4.14Å; W370-T437 WeakPolarHBondContact O-CG2 3.34Å; A372-T437 HydrophobicContact CB-CG2 4.48Å; F382-T437 HydrophobicContact CE1-CG2 4.33Å; F382-T437 HydrophobicContact CZ-CG2 4.08Å; T437-E439 VanDerWaalsContact C-N 3.32Å; T437-E439 WeakPolarHBondContact CB-OE2 3.43Å; T437-E439 PolarHBondContact OG1-N 2.82Å; T437-E439 PolarHBondContact OG1-OE2 3.03Å; T437-E440 PolarHBondContact O-N 2.83Å; T437-E440 PolarHBondContact OG1-N 2.83Å; T437-E440 VanDerWaalsContact OG1-N 3.13Å; T437-L441 PolarHBondContact O-N 3.35Å; T437-L441 VanDerWaalsContact O-N 3.08Å
438	F	97.6	Very high	96.1	Very high	29 Å²	29	37 Å²	37	13%	0.127	19%	0.189	C	C	.	.	H	α-helix	trans	-64.4	-38.1	174.4	-178.9	-107.5	0	0	0	111.7	I356 I358 L367 F424 V431 E440 L441 I442 M447	I356-F438 HydrophobicContact CD1-CB 3.49Å; I356-F438 VanDerWaalsContact CD1-CB 3.49Å; I356-F438 HydrophobicContact CD1-CD1 3.86Å; I356-F438 HydrophobicContact CD1-CG 3.87Å; I356-F438 HydrophobicContact CG2-CD1 3.8Å; I356-F438 HydrophobicContact CG2-CE1 3.86Å; I356-F438 HydrophobicContact CG2-CG 4.14Å; I356-F438 HydrophobicContact CG2-CZ 4.28Å; I358-F438 HydrophobicContact CD1-CE2 4.43Å; I358-F438 HydrophobicContact CG2-CE1 4.35Å; I358-F438 HydrophobicContact CG2-CE2 3.88Å; I358-F438 HydrophobicContact CG2-CZ 3.49Å; I358-F438 VanDerWaalsContact CG2-CZ 3.49Å; L367-F438 HydrophobicContact CD1-CD2 3.69Å; L367-F438 HydrophobicContact CD1-CE2 4.01Å; F424-F438 HydrophobicContact CZ-CE2 4.12Å; V431-F438 HydrophobicContact CG1-CB 4.47Å; F438-E440 VanDerWaalsContact C-N 3.31Å; F438-E440 PolarHBondContact O-N 3.03Å; F438-L441 HydrophobicContact CD2-CD2 4.46Å; F438-L441 WeakPolarHBondContact O-CB 3.5Å; F438-L441 PolarHBondContact O-N 3.2Å; F438-L441 VanDerWaalsContact O-N 3.17Å; F438-I442 HydrophobicContact CD1-CG1 4.13Å; F438-I442 HydrophobicContact CD2-CG1 4.47Å; F438-I442 HydrophobicContact CE1-CD1 4.14Å; F438-I442 HydrophobicContact CE1-CG1 3.71Å; F438-I442 HydrophobicContact CE2-CD1 4.05Å; F438-I442 HydrophobicContact CE2-CG1 4.08Å; F438-I442 HydrophobicContact CG-CG1 4.5Å; F438-I442 HydrophobicContact CZ-CD1 3.63Å; F438-I442 HydrophobicContact CZ-CG1 3.67Å; F438-I442 WeakPolarHBondContact O-CG1 3.47Å; F438-I442 PolarHBondContact O-N 2.94Å; F438-M447 HydrophobicContact CZ-SD 4.12Å
439	E	96.5	Very high	95	Very high	90 Å²	90	46.1 Å²	46.1	42%	0.421	23%	0.231	S	C	.	.	H	α-helix	trans	-63.2	-39.2	177	-56.4	72.1	-158	0	0	111.4	H369 T437 I442 R443	H369-E439 IonicContact NE2-OE1 3.95Å; T437-E439 VanDerWaalsContact C-N 3.32Å; T437-E439 WeakPolarHBondContact CB-OE2 3.43Å; T437-E439 PolarHBondContact OG1-N 2.82Å; T437-E439 PolarHBondContact OG1-OE2 3.03Å; E439-I442 PolarHBondContact O-N 3.21Å; E439-R443 VanDerWaalsContact O-CB 3.31Å; E439-R443 WeakPolarHBondContact O-CB 3.35Å; E439-R443 PolarHBondContact O-N 3.47Å
440	E	97.5	Very high	92.9	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.009	24%	0.243	C	C	.	.	H	α-helix	trans	-66.8	-39.1	175.3	175.6	62.3	-178.1	0	0	111.7	V341 R342 F382 T436 T437 F438 R443 V444	V341-E440 HydrophobicContact CB-CG 4.15Å; R342-E440 HydrophobicContact CB-CG 4.24Å; R342-E440 WeakPolarHBondContact CB-OE1 3.47Å; R342-E440 VanDerWaalsContact CG-OE1 3.29Å; R342-E440 WeakPolarHBondContact CG-OE1 3.19Å; R342-E440 IonicContact CZ-OE2 2.66Å; R342-E440 VanDerWaalsContact CZ-OE2 3.26Å; R342-E440 PolarHBondContact N-OE1 3.09Å; R342-E440 VanDerWaalsContact NE-CD 3.3Å; R342-E440 IonicContact NE-OE1 3.71Å; R342-E440 PolarHBondContact NE-OE1 3.04Å; R342-E440 IonicContact NE-OE2 3.66Å; R342-E440 PolarHBondContact NE-OE2 3.31Å; R342-E440 IonicContact NH2-OE2 2.79Å; R342-E440 PolarHBondContact NH2-OE2 2.78Å; F382-E440 HydrophobicContact CE1-CB 4.37Å; F382-E440 HydrophobicContact CE1-CG 4.4Å; F382-E440 HydrophobicContact CZ-CB 4.36Å; T436-E440 WeakPolarHBondContact OG1-CB 3.49Å; T436-E440 VanDerWaalsContact OG1-CG 3.24Å; T436-E440 WeakPolarHBondContact OG1-CG 3.26Å; T437-E440 PolarHBondContact O-N 2.83Å; T437-E440 PolarHBondContact OG1-N 2.83Å; T437-E440 VanDerWaalsContact OG1-N 3.13Å; F438-E440 VanDerWaalsContact C-N 3.31Å; F438-E440 PolarHBondContact O-N 3.03Å; E440-R443 PolarHBondContact O-N 3.12Å; E440-R443 IonicContact OE1-CZ 3.42Å; E440-R443 IonicContact OE1-NE 3.25Å; E440-R443 IonicContact OE1-NH2 3.7Å; E440-R443 PolarHBondContact OE1-NH2 3.44Å; E440-R443 IonicContact OE2-CZ 2.75Å; E440-R443 IonicContact OE2-NE 2.79Å; E440-R443 PolarHBondContact OE2-NE 3.01Å; E440-R443 IonicContact OE2-NH2 3.5Å; E440-R443 PolarHBondContact OE2-NH2 3.38Å; E440-V444 WeakPolarHBondContact O-CG2 3.42Å; E440-V444 PolarHBondContact O-N 3.02Å
441	L	97.6	Very high	90.1	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-59.2	-51.4	173.9	178.1	60.1	0	0	0	110.9	L388 F424 V431 T437 F438 R443 V444 L445	L388-L441 HydrophobicContact CD1-CD1 3.94Å; F424-L441 HydrophobicContact CD2-CD2 4.35Å; F424-L441 HydrophobicContact CD2-CG 4.27Å; F424-L441 HydrophobicContact CE2-CD2 4.04Å; F424-L441 HydrophobicContact CE2-CG 4.04Å; F424-L441 HydrophobicContact CZ-CD2 4.16Å; V431-L441 HydrophobicContact CG2-CB 4.47Å; V431-L441 HydrophobicContact CG2-CD2 4.26Å; T437-L441 PolarHBondContact O-N 3.35Å; T437-L441 VanDerWaalsContact O-N 3.08Å; F438-L441 HydrophobicContact CD2-CD2 4.46Å; F438-L441 WeakPolarHBondContact O-CB 3.5Å; F438-L441 PolarHBondContact O-N 3.2Å; F438-L441 VanDerWaalsContact O-N 3.17Å; L441-R443 VanDerWaalsContact C-N 3.32Å; L441-R443 PolarHBondContact O-N 3.1Å; L441-V444 PolarHBondContact O-N 3.08Å; L441-V444 VanDerWaalsContact O-N 3.15Å; L441-L445 HydrophobicContact CD1-CD1 3.56Å; L441-L445 HydrophobicContact CD1-CG 4.24Å; L441-L445 PolarHBondContact O-N 2.77Å
442	I	97.1	Very high	89.7	Confident	50 Å²	50	60.1 Å²	60.1	26%	0.256	31%	0.306	S	S	.	.	H	α-helix	trans	-62.5	-38.2	178.2	-63.5	-68.9	0	0	0	111.6	F424 F438 E439 V444 G446 M447	F424-I442 HydrophobicContact CE2-CD1 3.81Å; F424-I442 HydrophobicContact CZ-CD1 4.05Å; F438-I442 HydrophobicContact CD1-CG1 4.13Å; F438-I442 HydrophobicContact CD2-CG1 4.47Å; F438-I442 HydrophobicContact CE1-CD1 4.14Å; F438-I442 HydrophobicContact CE1-CG1 3.71Å; F438-I442 HydrophobicContact CE2-CD1 4.05Å; F438-I442 HydrophobicContact CE2-CG1 4.08Å; F438-I442 HydrophobicContact CG-CG1 4.5Å; F438-I442 HydrophobicContact CZ-CD1 3.63Å; F438-I442 HydrophobicContact CZ-CG1 3.67Å; F438-I442 WeakPolarHBondContact O-CG1 3.47Å; F438-I442 PolarHBondContact O-N 2.94Å; E439-I442 PolarHBondContact O-N 3.21Å; I442-V444 PolarHBondContact O-N 2.79Å; I442-G446 WeakPolarHBondContact O-CA 3.4Å; I442-G446 PolarHBondContact O-N 3.33Å; I442-M447 HydrophobicContact CD1-CB 3.97Å; I442-M447 HydrophobicContact CD1-CG 4.35Å; I442-M447 HydrophobicContact CD1-SD 3.42Å; I442-M447 WeakPolarHBondContact CD1-SD 3.38Å
443	R	95.3	Very high	89.4	Confident	122 Å²	122	59.5 Å²	59.5	46%	0.46	31%	0.305	S	S	.	.	H	α-helix	trans	-60.4	-35.2	176.5	-171.2	-164.9	65.5	71.5	-3.5	112.3	E439 E440 L441	E439-R443 VanDerWaalsContact O-CB 3.31Å; E439-R443 WeakPolarHBondContact O-CB 3.35Å; E439-R443 PolarHBondContact O-N 3.47Å; E440-R443 PolarHBondContact O-N 3.12Å; E440-R443 IonicContact OE1-CZ 3.42Å; E440-R443 IonicContact OE1-NE 3.25Å; E440-R443 IonicContact OE1-NH2 3.7Å; E440-R443 PolarHBondContact OE1-NH2 3.44Å; E440-R443 IonicContact OE2-CZ 2.75Å; E440-R443 IonicContact OE2-NE 2.79Å; E440-R443 PolarHBondContact OE2-NE 3.01Å; E440-R443 IonicContact OE2-NH2 3.5Å; E440-R443 PolarHBondContact OE2-NH2 3.38Å; L441-R443 VanDerWaalsContact C-N 3.32Å; L441-R443 PolarHBondContact O-N 3.1Å
444	V	96.1	Very high	89	Confident	33 Å²	33	57.7 Å²	57.7	20%	0.2	30%	0.298	C	S	.	.	H	α-helix	trans	-90.2	-40	-174.8	173.5	0	0	0	0	112.6	R339 V341 E440 L441 I442	R339-V444 HydrophobicContact CB-CG1 4.11Å; R339-V444 HydrophobicContact CG-CG1 4.31Å; V341-V444 HydrophobicContact CG1-CB 4.18Å; V341-V444 HydrophobicContact CG1-CG1 4.24Å; V341-V444 HydrophobicContact CG1-CG2 4.13Å; E440-V444 WeakPolarHBondContact O-CG2 3.42Å; E440-V444 PolarHBondContact O-N 3.02Å; L441-V444 PolarHBondContact O-N 3.08Å; L441-V444 VanDerWaalsContact O-N 3.15Å; I442-V444 PolarHBondContact O-N 2.79Å
445	L	95.2	Very high	88.6	Confident	50 Å²	50	61.1 Å²	61.1	26%	0.262	32%	0.315	S	S	.	.	H	α-helix	trans	-108.1	-17.5	-173.3	-69.1	-177.5	0	0	0	114.1	R339 L388 L423 F424 L441	R339-L445 HydrophobicContact CB-CD2 4.41Å; R339-L445 HydrophobicContact CG-CD2 3.68Å; L388-L445 HydrophobicContact CD1-CD1 4.31Å; L423-L445 HydrophobicContact CB-CD1 3.91Å; L423-L445 HydrophobicContact CB-CD2 4.09Å; L423-L445 HydrophobicContact CD1-CD2 4.22Å; L423-L445 WeakPolarHBondContact O-CD1 3.46Å; F424-L445 HydrophobicContact CB-CD1 4.24Å; F424-L445 HydrophobicContact CD2-CB 4.26Å; F424-L445 HydrophobicContact CD2-CD1 4.29Å; L441-L445 HydrophobicContact CD1-CD1 3.56Å; L441-L445 HydrophobicContact CD1-CG 4.24Å; L441-L445 PolarHBondContact O-N 2.77Å
446	G	94.2	Very high	88	Confident	31 Å²	31	62.1 Å²	62.1	32%	0.32	32%	0.321	S	S	.	.			trans	71.7	174.4	-162.9	0	0	0	0	0	111.7	F424 I442	F424-G446 WeakPolarHBondContact CE2-O 3.45Å; I442-G446 WeakPolarHBondContact O-CA 3.4Å; I442-G446 PolarHBondContact O-N 3.33Å
447	M	91.9	Very high	87.4	Confident	74 Å²	74	66.3 Å²	66.3	37%	0.365	34%	0.342	S	S	.	.			trans	-82.2	128	164.9	-163.7	68.3	-147.5	0	0	107.5	I358 V362 F424 F438 I442	I358-M447 HydrophobicContact CB-CE 4.13Å; I358-M447 HydrophobicContact CD1-CE 4.17Å; I358-M447 HydrophobicContact CG2-CE 4.13Å; I358-M447 HydrophobicContact CG2-SD 4.48Å; V362-M447 HydrophobicContact CB-CE 4.25Å; V362-M447 HydrophobicContact CG1-CE 3.73Å; V362-M447 HydrophobicContact CG2-CE 4.21Å; F424-M447 HydrophobicContact CE1-CE 3.86Å; F424-M447 HydrophobicContact CE2-SD 4.23Å; F424-M447 HydrophobicContact CZ-CE 3.61Å; F424-M447 HydrophobicContact CZ-SD 3.69Å; F438-M447 HydrophobicContact CZ-SD 4.12Å; I442-M447 HydrophobicContact CD1-CB 3.97Å; I442-M447 HydrophobicContact CD1-CG 4.35Å; I442-M447 HydrophobicContact CD1-SD 3.42Å; I442-M447 WeakPolarHBondContact CD1-SD 3.38Å
448	P	87.1	Confident	86.6	Confident	50 Å²	50	70.5 Å²	70.5	33%	0.325	36%	0.363	S	S	.	.			trans	-56.4	143.9	169.8	23.2	-33	0	0	0	109.3	V362 F424 G450	V362-P448 HydrophobicContact CG1-CG 3.56Å; V362-P448 HydrophobicContact CG2-CG 4.14Å; F424-P448 HydrophobicContact CD1-CG 3.9Å; F424-P448 VanDerWaalsContact CD2-CD 3.46Å; F424-P448 HydrophobicContact CD2-CG 4.21Å; F424-P448 HydrophobicContact CE1-CG 4.12Å; F424-P448 VanDerWaalsContact CE2-CD 3.44Å; F424-P448 HydrophobicContact CE2-CG 4.41Å; F424-P448 HydrophobicContact CG-CG 3.94Å; F424-P448 HydrophobicContact CZ-CG 4.36Å; P448-G450 PolarHBondContact O-N 2.94Å
449	H	74.7	Confident	85.8	Confident	191 Å²	191	73.7 Å²	73.7	88%	0.884	38%	0.382	S	S	*	.			trans	-62.7	105.4	169.8	-66.4	-65.2	0	0	0	107.1
450	G	53.8	Low	84.9	Confident	39 Å²	39	72.3 Å²	72.3	40%	0.402	38%	0.378	S	S	.	.			trans	-65.3	132.3	164.9	0	0	0	0	0	107.5	P448	P448-G450 PolarHBondContact O-N 2.94Å
451	E	38.6	Very low	83.8	Confident	226 Å²	226	78.7 Å²	78.7	100%	1.056	41%	0.412	S	S	*	.			trans	-46.9	0	165.9	-69.2	177.1	172.2	0	0	112.2

Retrieved 451 of 451 residues in 233.7 ms (Link to these results)

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