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Bifunctional protein GlmU

Catalyzes the last two sequential reactions in the de novo biosynthetic pathway for UDP-N-acetylglucosamine (UDP-GlcNAc). The C-terminal domain catalyzes the transfer of acetyl group from acetyl coenzyme A to glucosamine-1-phosphate (GlcN-1-P) to produce N-acetylglucosamine-1-phosphate (GlcNAc-1-P), which is converted into UDP-GlcNAc by the transfer of uridine 5-monophosphate (from uridine 5-triphosphate), a reaction catalyzed by the N-terminal domain.

AlphaFold DB , UniProt , Accession P0ACC7, Species ECOLI (Escherichia coli (strain K12)), Gene glmU, Length 456 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.1	Very low	82	Confident	226 Å²	226	57.3 Å²	57.3	100%	1.113	31%	0.308	S	S	*	.				0	127.5	0	-75.3	-174.2	-101.5	0	0	105.9	N3	M1-N3 PolarHBondContact O-N 3.1Å
2	L	50.8	Low	83.2	Confident	131 Å²	131	52.8 Å²	52.8	69%	0.686	29%	0.285	S	S	*	.			trans	-57.5	125.4	169.9	-80.1	147.9	0	0	0	106.7	N4	L2-N4 PolarHBondContact O-N 3.37Å; L2-N4 PolarHBondContact O-OD1 2.81Å
3	N	59.9	Low	83.7	Confident	65 Å²	65	49.6 Å²	49.6	35%	0.348	27%	0.27	S	S	.	.			trans	-65.7	124.3	173.8	-92.1	-20.5	0	0	0	108.1	M1 D96	M1-N3 PolarHBondContact O-N 3.1Å; N3-D96 WeakPolarHBondContact CB-O 3.48Å; N3-D96 VanDerWaalsContact ND2-C 3.27Å; N3-D96 WeakPolarHBondContact ND2-CA 3.37Å; N3-D96 PolarHBondContact ND2-O 2.95Å
4	N	71.7	Confident	83.6	Confident	144 Å²	144	48.9 Å²	48.9	77%	0.77	28%	0.28	S	S	*	.			trans	-81	-20.1	-176.7	-77.6	-8.6	0	0	0	112.3	L2 R118	L2-N4 PolarHBondContact O-N 3.37Å; L2-N4 PolarHBondContact O-OD1 2.81Å; N4-R118 PolarHBondContact O-NH2 3.47Å
5	A	93.9	Very high	83.3	Confident	46 Å²	46	54.5 Å²	54.5	38%	0.38	30%	0.3	S	S	.	.			trans	-77	135.1	178	0	0	0	0	0	111.1	E97 D98	A5-E97 HydrophobicContact CB-CB 3.97Å; A5-D98 PolarHBondContact O-N 2.87Å
6	M	96.5	Very high	83.6	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	135.7	176	177.9	-84.1	-61.9	0	0	108.4	V8 L46 A48 A49 D98 L100	M6-V8 HydrophobicContact CE-CG2 4.19Å; M6-V8 HydrophobicContact SD-CG2 3.42Å; M6-V8 WeakPolarHBondContact SD-CG2 3.37Å; M6-L46 HydrophobicContact CE-CB 4.03Å; M6-L46 HydrophobicContact CE-CD2 3.66Å; M6-L46 HydrophobicContact CE-CG 3.74Å; M6-A48 HydrophobicContact CE-CB 4.08Å; M6-A48 CarbonylContact O-C 3.57Å; M6-A48 WeakPolarHBondContact O-CA 3.46Å; M6-A48 HydrophobicContact SD-CB 4.3Å; M6-A49 PolarHBondContact O-N 2.93Å; M6-D98 CarbonylContact C-O 3.57Å; M6-D98 VanDerWaalsContact CA-O 3.22Å; M6-D98 WeakPolarHBondContact CA-O 3.19Å; M6-D98 HydrophobicContact CB-CB 4.4Å; M6-D98 HydrophobicContact CG-CB 4.28Å; M6-L100 HydrophobicContact SD-CB 4.09Å
7	S	98	Very high	83.9	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	153.9	171.9	-68.7	0	0	0	0	109.6	H50 E97 D98 I99 L100	S7-H50 WeakPolarHBondContact CA-O 3.21Å; S7-H50 WeakPolarHBondContact CB-O 3.29Å; S7-H50 PolarHBondContact OG-N 3.33Å; S7-E97 VanDerWaalsContact CB-OE2 3.3Å; S7-E97 WeakPolarHBondContact CB-OE2 3.43Å; S7-E97 PolarHBondContact OG-OE2 3.44Å; S7-D98 PolarHBondContact N-O 3.28Å; S7-I99 WeakPolarHBondContact O-CA 3.43Å; S7-L100 PolarHBondContact O-N 3.01Å
8	V	98.4	Very high	84.5	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	136	-175.5	-179.6	0	0	0	0	109.8	M6 I10 A43 A48 H50 V51 H52 L100 L102	M6-V8 HydrophobicContact CE-CG2 4.19Å; M6-V8 HydrophobicContact SD-CG2 3.42Å; M6-V8 WeakPolarHBondContact SD-CG2 3.37Å; V8-I10 HydrophobicContact CG1-CG1 3.85Å; V8-A43 HydrophobicContact CB-CB 4.03Å; V8-A43 HydrophobicContact CG1-CB 3.97Å; V8-A43 HydrophobicContact CG2-CB 3.79Å; V8-A48 HydrophobicContact CB-CB 4.4Å; V8-A48 HydrophobicContact CG2-CB 3.68Å; V8-H50 PolarHBondContact N-O 2.8Å; V8-V51 CarbonylContact O-C 3.48Å; V8-V51 WeakPolarHBondContact O-CA 3.09Å; V8-H52 PolarHBondContact O-N 3.37Å; V8-L100 CarbonylContact C-O 3.6Å; V8-L100 VanDerWaalsContact CA-O 3.3Å; V8-L100 WeakPolarHBondContact CA-O 3.38Å; V8-L100 HydrophobicContact CG2-CB 4.22Å; V8-L100 HydrophobicContact CG2-CD2 4.2Å; V8-L102 HydrophobicContact CG1-CB 4.43Å; V8-L102 HydrophobicContact CG1-CD1 3.66Å; V8-L102 HydrophobicContact CG1-CG 3.93Å
9	V	98.7	Very high	85	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	120.4	167.8	-173.8	0	0	0	0	108.8	L11 H52 V54 M86 A89 F93 I99 L100 L102	V9-L11 HydrophobicContact CG1-CD2 4.17Å; V9-H52 CarbonylContact C-O 3.24Å; V9-H52 WeakPolarHBondContact CA-O 3.31Å; V9-H52 HydrophobicContact CG2-CB 4.17Å; V9-V54 HydrophobicContact CG1-CG2 3.71Å; V9-M86 HydrophobicContact CB-CE 4.13Å; V9-M86 HydrophobicContact CB-SD 3.77Å; V9-M86 HydrophobicContact CG1-CE 4.42Å; V9-M86 HydrophobicContact CG1-SD 3.51Å; V9-M86 VanDerWaalsContact CG1-SD 3.51Å; V9-M86 HydrophobicContact CG2-CE 4.04Å; V9-M86 HydrophobicContact CG2-SD 4.2Å; V9-A89 HydrophobicContact CG1-CB 3.9Å; V9-A89 HydrophobicContact CG2-CB 4.05Å; V9-F93 HydrophobicContact CG2-CE1 3.48Å; V9-F93 VanDerWaalsContact CG2-CE1 3.48Å; V9-F93 HydrophobicContact CG2-CZ 3.63Å; V9-I99 HydrophobicContact CG2-CG2 3.76Å; V9-L100 PolarHBondContact N-O 3.33Å; V9-L102 PolarHBondContact O-N 3.1Å
10	I	98.3	Very high	85.6	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	116.8	177.3	-56.4	176.5	0	0	0	108.7	V8 A12 V36 V39 I40 V51 H52 L53 V54 L102	V8-I10 HydrophobicContact CG1-CG1 3.85Å; I10-A12 PolarHBondContact O-N 3.47Å; I10-V36 HydrophobicContact CG2-CG2 4.2Å; I10-V39 HydrophobicContact CD1-CB 4.31Å; I10-V39 HydrophobicContact CD1-CG1 3.83Å; I10-V39 HydrophobicContact CG1-CG1 4.09Å; I10-V39 HydrophobicContact CG2-CG1 4.18Å; I10-I40 HydrophobicContact CD1-CB 4.44Å; I10-I40 HydrophobicContact CD1-CG1 3.62Å; I10-V51 HydrophobicContact CD1-CG1 3.54Å; I10-V51 HydrophobicContact CG1-CG1 4.09Å; I10-H52 PolarHBondContact N-O 2.94Å; I10-L53 HydrophobicContact CB-CD1 3.72Å; I10-L53 HydrophobicContact CG2-CD1 3.72Å; I10-V54 PolarHBondContact O-N 3.22Å; I10-L102 WeakPolarHBondContact CA-O 3.43Å; I10-L102 HydrophobicContact CG1-CB 4.34Å
11	L	97.8	Very high	86	Confident	17 Å²	17	64.3 Å²	64.3	9%	0.089	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	115.8	174.8	-61.5	-161.9	0	0	0	111.1	V9 V54 T82 A85 M86 M101 L102 Y103 G104	V9-L11 HydrophobicContact CG1-CD2 4.17Å; L11-V54 HydrophobicContact CD2-CB 4.02Å; L11-V54 HydrophobicContact CD2-CG2 4.03Å; L11-T82 HydrophobicContact CD1-CG2 3.8Å; L11-A85 HydrophobicContact CD1-CB 4.31Å; L11-A85 HydrophobicContact CD2-CB 3.72Å; L11-M86 HydrophobicContact CD2-SD 4.25Å; L11-M101 HydrophobicContact CD1-CE 3.28Å; L11-M101 HydrophobicContact CG-CE 3.85Å; L11-L102 PolarHBondContact N-O 3.29Å; L11-Y103 HydrophobicContact CB-CD1 4.33Å; L11-Y103 HydrophobicContact CD1-CE1 4.1Å; L11-G104 PolarHBondContact O-N 3.18Å
12	A	96.2	Very high	88.6	Confident	4 Å²	4	61.3 Å²	61.3	3%	0.033	32%	0.323	C	S	.	.			trans	-134.2	13.4	-175.4	0	0	0	0	0	113.8	I10 G14 V26 L53 V54	I10-A12 PolarHBondContact O-N 3.47Å; A12-G14 VanDerWaalsContact C-N 3.32Å; A12-G14 PolarHBondContact O-N 2.83Å; A12-V26 HydrophobicContact CB-CG1 4.35Å; A12-V26 HydrophobicContact CB-CG2 4.04Å; A12-L53 HydrophobicContact CB-CD1 3.71Å; A12-L53 HydrophobicContact CB-CG 4.34Å; A12-V54 CarbonylContact C-O 3.18Å; A12-V54 VanDerWaalsContact C-O 3.31Å; A12-V54 VanDerWaalsContact CA-O 3.29Å; A12-V54 WeakPolarHBondContact CA-O 3.34Å; A12-V54 WeakPolarHBondContact CB-O 3.16Å; A12-V54 PolarHBondContact N-O 2.79Å
13	A	90.2	Very high	90.6	Very high	11 Å²	11	58.3 Å²	58.3	9%	0.091	31%	0.307	C	S	.	.			trans	-80.7	-3.4	-174.4	0	0	0	0	0	115.4	V54 Q76	A13-V54 PolarHBondContact N-O 3.47Å; A13-V54 VanDerWaalsContact N-O 3.17Å; A13-Q76 HydrophobicContact CB-CB 4.35Å
14	G	82.1	Confident	92.3	Very high	39 Å²	39	55.5 Å²	55.5	40%	0.402	29%	0.292	S	S	.	.			trans	-70.9	133.8	-173.6	0	0	0	0	0	114.2	A12 G16	A12-G14 VanDerWaalsContact C-N 3.32Å; A12-G14 PolarHBondContact O-N 2.83Å; G14-G16 PolarHBondContact O-N 3.22Å
15	K	79.3	Confident	93.4	Very high	133 Å²	133	49.7 Å²	49.7	58%	0.578	26%	0.26	S	S	*	.			trans	-64.8	-32.1	-178.8	-173.2	172.1	-178.9	178.1	0	114.7	T17	K15-T17 HydrophobicContact CB-CG2 4.34Å; K15-T17 HydrophobicContact CD-CG2 3.72Å; K15-T17 HydrophobicContact CG-CG2 3.88Å
16	G	87.7	Confident	93.5	Very high	16 Å²	16	47.7 Å²	47.7	17%	0.165	24%	0.243	C	C	.	.			trans	67.7	36.7	-179.7	0	0	0	0	0	115.4	G14 R18 M19	G14-G16 PolarHBondContact O-N 3.22Å; G16-R18 PolarHBondContact O-N 3.14Å; G16-R18 VanDerWaalsContact O-N 3.09Å; G16-M19 WeakPolarHBondContact O-CB 3.39Å; G16-M19 WeakPolarHBondContact O-CG 3.46Å; G16-M19 PolarHBondContact O-N 2.88Å
17	T	89.5	Confident	93.5	Very high	96 Å²	96	48.1 Å²	48.1	59%	0.589	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-51.7	-36.9	-175	51.8	0	0	0	0	114.5	K15 M19 Y20	K15-T17 HydrophobicContact CB-CG2 4.34Å; K15-T17 HydrophobicContact CD-CG2 3.72Å; K15-T17 HydrophobicContact CG-CG2 3.88Å; T17-M19 PolarHBondContact O-N 3.42Å; T17-Y20 PolarHBondContact O-N 3.21Å
18	R	93.3	Very high	93.5	Very high	171 Å²	171	48.8 Å²	48.8	65%	0.645	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-74	-3.1	178.4	-67.5	179.1	-174.3	163	1.6	114.4	G16 Y20 N227 N228	G16-R18 PolarHBondContact O-N 3.14Å; G16-R18 VanDerWaalsContact O-N 3.09Å; R18-Y20 VanDerWaalsContact C-N 3.34Å; R18-Y20 WeakPolarHBondContact O-CD2 3.31Å; R18-N227 WeakPolarHBondContact CB-O 3.41Å; R18-N228 HydrophobicContact CB-CB 4.38Å
19	M	95.3	Very high	93.5	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.005	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-79.3	-18.7	171.2	-63.6	-61.1	-76.5	0	0	112.8	G16 T17 S21 K25 H28 V226 N228 R229 L232	G16-M19 WeakPolarHBondContact O-CB 3.39Å; G16-M19 WeakPolarHBondContact O-CG 3.46Å; G16-M19 PolarHBondContact O-N 2.88Å; T17-M19 PolarHBondContact O-N 3.42Å; M19-S21 PolarHBondContact O-N 3.17Å; M19-K25 HydrophobicContact CG-CG 4.03Å; M19-H28 HydrophobicContact CE-CB 3.86Å; M19-H28 WeakPolarHBondContact CE-ND1 3.38Å; M19-V226 HydrophobicContact CE-CG1 4.4Å; M19-V226 HydrophobicContact SD-CG1 4.24Å; M19-N228 VanDerWaalsContact SD-C 3.51Å; M19-N228 WeakPolarHBondContact SD-CA 3.29Å; M19-R229 HydrophobicContact CE-CG 4.05Å; M19-R229 PolarHBondContact O-NE 2.85Å; M19-R229 PolarHBondContact O-NH2 3.01Å; M19-R229 HydrophobicContact SD-CG 4.43Å; M19-L232 HydrophobicContact CE-CD2 4.08Å
20	Y	96	Very high	93.5	Very high	205 Å²	205	52.3 Å²	52.3	80%	0.804	27%	0.27	S	S	*	.			trans	46.2	61.1	-172.9	-59.3	-82.7	0	0	0	110.7	T17 R18 R229	T17-Y20 PolarHBondContact O-N 3.21Å; R18-Y20 VanDerWaalsContact C-N 3.34Å; R18-Y20 WeakPolarHBondContact O-CD2 3.31Å; Y20-R229 PolarHBondContact O-NH2 3.32Å
21	S	94.6	Very high	93.5	Very high	44 Å²	44	52.6 Å²	52.6	31%	0.308	27%	0.272	S	S	.	.			trans	-146.7	142.2	-171.1	-169.3	0	0	0	0	109.8	M19 L23 H28	M19-S21 PolarHBondContact O-N 3.17Å; S21-L23 WeakPolarHBondContact OG-CB 3.38Å; S21-L23 PolarHBondContact OG-N 3.24Å; S21-H28 VanDerWaalsContact CB-CE1 3.48Å; S21-H28 WeakPolarHBondContact CB-CE1 3.45Å; S21-H28 WeakPolarHBondContact CB-NE2 3.47Å; S21-H28 PolarHBondContact OG-CE1 3.25Å; S21-H28 PolarHBondContact OG-NE2 3.15Å
22	D	92.6	Very high	93.5	Very high	164 Å²	164	54.2 Å²	54.2	88%	0.877	29%	0.293	S	S	*	.	S	Bend	trans	-75.4	-16.2	168.2	-61.7	-38.1	0	0	0	111.7
23	L	93.6	Very high	93.5	Very high	68 Å²	68	57.8 Å²	57.8	36%	0.356	31%	0.308	S	S	.	.	S	Bend	trans	-77.8	135	176.3	-155.2	80.8	0	0	0	110.4	S21 L27	S21-L23 WeakPolarHBondContact OG-CB 3.38Å; S21-L23 PolarHBondContact OG-N 3.24Å; L23-L27 HydrophobicContact CD1-CB 4.39Å; L23-L27 HydrophobicContact CD1-CD1 4.45Å; L23-L27 VanDerWaalsContact CD2-C 3.45Å; L23-L27 HydrophobicContact CD2-CB 3.6Å; L23-L27 WeakPolarHBondContact CD2-O 3.49Å; L23-L27 HydrophobicContact CG-CB 3.74Å; L23-L27 HydrophobicContact CG-CD1 4.46Å
24	P	93.9	Very high	93.9	Very high	5 Å²	5	58.1 Å²	58.1	3%	0.032	31%	0.31	C	S	.	.			trans	-50.5	142.5	169.4	-30.2	35.7	0	0	0	112.6	V26 L27 L61	P24-V26 PolarHBondContact O-N 3.48Å; P24-V26 VanDerWaalsContact O-N 3.09Å; P24-L27 HydrophobicContact CB-CD1 4.34Å; P24-L27 HydrophobicContact CB-CG 4.41Å; P24-L27 HydrophobicContact CG-CD1 4.12Å; P24-L27 PolarHBondContact O-N 3.07Å; P24-L61 HydrophobicContact CG-CB 4.25Å; P24-L61 HydrophobicContact CG-CD1 4.3Å
25	K	95.4	Very high	94.6	Very high	23 Å²	23	56.2 Å²	56.2	10%	0.1	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-46.8	-48.7	-173.6	-164.3	172.2	80.6	166.4	0	112.6	M19 L27 H28 M35 D105 V226 N227	M19-K25 HydrophobicContact CG-CG 4.03Å; K25-L27 VanDerWaalsContact C-N 3.28Å; K25-L27 PolarHBondContact O-N 3.05Å; K25-H28 PolarHBondContact O-CD2 2.98Å; K25-H28 PolarHBondContact O-N 3.18Å; K25-M35 WeakPolarHBondContact O-CE 3.46Å; K25-D105 VanDerWaalsContact CE-CB 3.44Å; K25-D105 WeakPolarHBondContact CE-OD2 3.45Å; K25-D105 IonicContact NZ-OD2 2.71Å; K25-D105 PolarHBondContact NZ-OD2 3.06Å; K25-V226 VanDerWaalsContact CD-O 3.28Å; K25-V226 WeakPolarHBondContact CD-O 3.48Å; K25-V226 VanDerWaalsContact CE-O 3.26Å; K25-V226 WeakPolarHBondContact CE-O 3.39Å; K25-V226 PolarHBondContact NZ-O 2.81Å; K25-N227 PolarHBondContact NZ-OD1 3.44Å
26	V	96.6	Very high	95.5	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.018	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-78.3	-9.2	-171.6	-52.2	0	0	0	0	114.3	A12 P24 M35 V36 L62 D105	A12-V26 HydrophobicContact CB-CG1 4.35Å; A12-V26 HydrophobicContact CB-CG2 4.04Å; P24-V26 PolarHBondContact O-N 3.48Å; P24-V26 VanDerWaalsContact O-N 3.09Å; V26-M35 PolarHBondContact O-N 2.91Å; V26-V36 HydrophobicContact CB-CB 3.92Å; V26-V36 HydrophobicContact CB-CG1 4.37Å; V26-V36 HydrophobicContact CG2-CB 3.92Å; V26-V36 HydrophobicContact CG2-CG1 4.02Å; V26-V36 HydrophobicContact CG2-CG2 4.47Å; V26-V36 PolarHBondContact O-N 2.98Å; V26-V36 VanDerWaalsContact O-N 3.09Å; V26-L62 HydrophobicContact CG2-CD2 3.62Å; V26-D105 HydrophobicContact CG1-CB 4.28Å
27	L	96.7	Very high	96	Very high	10 Å²	10	50.6 Å²	50.6	5%	0.052	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-89.1	-9.6	174.3	-73.7	-177	0	0	0	113.2	L23 P24 K25 A34 V36 L61 L62 A65 L66	L23-L27 HydrophobicContact CD1-CB 4.39Å; L23-L27 HydrophobicContact CD1-CD1 4.45Å; L23-L27 VanDerWaalsContact CD2-C 3.45Å; L23-L27 HydrophobicContact CD2-CB 3.6Å; L23-L27 WeakPolarHBondContact CD2-O 3.49Å; L23-L27 HydrophobicContact CG-CB 3.74Å; L23-L27 HydrophobicContact CG-CD1 4.46Å; P24-L27 HydrophobicContact CB-CD1 4.34Å; P24-L27 HydrophobicContact CB-CG 4.41Å; P24-L27 HydrophobicContact CG-CD1 4.12Å; P24-L27 PolarHBondContact O-N 3.07Å; K25-L27 VanDerWaalsContact C-N 3.28Å; K25-L27 PolarHBondContact O-N 3.05Å; L27-A34 HydrophobicContact CD2-CB 4.12Å; L27-V36 HydrophobicContact CD2-CG1 4.33Å; L27-L61 HydrophobicContact CD1-CB 4.01Å; L27-L62 HydrophobicContact CD1-CD2 4.08Å; L27-L62 HydrophobicContact CD1-CG 4.24Å; L27-L62 HydrophobicContact CD2-CD2 3.76Å; L27-L62 HydrophobicContact CG-CD2 3.64Å; L27-L62 HydrophobicContact CG-CG 4.33Å; L27-A65 HydrophobicContact CD1-CB 4.19Å; L27-A65 HydrophobicContact CD2-CB 3.75Å; L27-L66 HydrophobicContact CD2-CD2 4.22Å; L27-L66 HydrophobicContact CD2-CG 4.35Å
28	H	97.6	Very high	96.3	Very high	14 Å²	14	46.8 Å²	46.8	7%	0.065	24%	0.238	C	C	.	.	S	Bend	trans	-59.3	143.3	167.1	-75.9	-95.1	0	0	0	109.7	M19 S21 K25 M35 L232	M19-H28 HydrophobicContact CE-CB 3.86Å; M19-H28 WeakPolarHBondContact CE-ND1 3.38Å; S21-H28 VanDerWaalsContact CB-CE1 3.48Å; S21-H28 WeakPolarHBondContact CB-CE1 3.45Å; S21-H28 WeakPolarHBondContact CB-NE2 3.47Å; S21-H28 PolarHBondContact OG-CE1 3.25Å; S21-H28 PolarHBondContact OG-NE2 3.15Å; K25-H28 PolarHBondContact O-CD2 2.98Å; K25-H28 PolarHBondContact O-N 3.18Å; H28-M35 HydrophobicContact CB-CE 4.18Å; H28-M35 WeakPolarHBondContact O-CG 3.36Å; H28-M35 PolarHBondContact O-N 3.01Å; H28-L232 HydrophobicContact CB-CD2 3.83Å
29	T	98.3	Very high	96.6	Very high	75 Å²	75	38.7 Å²	38.7	46%	0.46	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	147	-169	56.2	0	0	0	0	112.8	K33	T29-K33 CarbonylContact C-O 3.59Å; T29-K33 WeakPolarHBondContact CA-O 3.2Å; T29-K33 WeakPolarHBondContact CB-O 3.42Å
30	L	98.2	Very high	96.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	126.1	165.9	-179.6	151.7	0	0	0	106.9	G32 K33 M35 H38 P107 L108 L232 L235 E236 Y239	L30-G32 PolarHBondContact O-N 3.09Å; L30-K33 PolarHBondContact N-O 3.39Å; L30-K33 PolarHBondContact O-N 3.18Å; L30-K33 VanDerWaalsContact O-N 3.07Å; L30-M35 HydrophobicContact CB-CG 4.48Å; L30-H38 PolarHBondContact O-NE2 3.3Å; L30-P107 HydrophobicContact CD1-CB 4.39Å; L30-P107 HydrophobicContact CD1-CG 3.79Å; L30-L108 HydrophobicContact CD1-CD2 3.83Å; L30-L108 HydrophobicContact CD1-CG 4.34Å; L30-L108 HydrophobicContact CD2-CD2 4.08Å; L30-L232 HydrophobicContact CB-CD1 4.42Å; L30-L235 HydrophobicContact CD1-CB 3.73Å; L30-E236 VanDerWaalsContact CA-OE2 3.24Å; L30-E236 WeakPolarHBondContact CA-OE2 3.46Å; L30-Y239 HydrophobicContact CD2-CD1 3.5Å; L30-Y239 HydrophobicContact CD2-CD2 3.93Å; L30-Y239 HydrophobicContact CD2-CE1 3.97Å; L30-Y239 HydrophobicContact CD2-CE2 4.33Å; L30-Y239 HydrophobicContact CD2-CG 3.45Å; L30-Y239 VanDerWaalsContact CD2-CG 3.45Å
31	A	98.4	Very high	96.7	Very high	5 Å²	5	31.3 Å²	31.3	4%	0.041	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	42.1	-171.7	0	0	0	0	0	113.5	K33 E236 Y239 R263	A31-K33 PolarHBondContact O-N 3.07Å; A31-E236 PolarHBondContact N-OE1 3.49Å; A31-E236 PolarHBondContact N-OE2 3.42Å; A31-Y239 HydrophobicContact CB-CD1 3.52Å; A31-Y239 HydrophobicContact CB-CE1 3.43Å; A31-Y239 VanDerWaalsContact CB-CE1 3.43Å; A31-R263 CarbonylContact O-C 3.54Å; A31-R263 WeakPolarHBondContact O-CA 3.19Å
32	G	97.2	Very high	96.8	Very high	51 Å²	51	29.7 Å²	29.7	53%	0.526	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.6	-3.6	178.6	0	0	0	0	0	115.9	L30	L30-G32 PolarHBondContact O-N 3.09Å
33	K	97.6	Very high	97	Very high	80 Å²	80	21.9 Å²	21.9	35%	0.348	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	141.2	178.2	175.3	-173.6	-63.5	-179.6	0	110.4	T29 L30 A31 Q37 D41	T29-K33 CarbonylContact C-O 3.59Å; T29-K33 WeakPolarHBondContact CA-O 3.2Å; T29-K33 WeakPolarHBondContact CB-O 3.42Å; L30-K33 PolarHBondContact N-O 3.39Å; L30-K33 PolarHBondContact O-N 3.18Å; L30-K33 VanDerWaalsContact O-N 3.07Å; A31-K33 PolarHBondContact O-N 3.07Å; K33-Q37 HydrophobicContact CD-CB 4.06Å; K33-Q37 HydrophobicContact CD-CG 3.82Å; K33-Q37 HydrophobicContact CG-CB 3.73Å; K33-Q37 HydrophobicContact CG-CG 3.83Å; K33-D41 WeakPolarHBondContact CD-OD2 3.22Å; K33-D41 WeakPolarHBondContact CE-OD2 3.47Å; K33-D41 IonicContact NZ-OD2 3.99Å; K33-D41 PolarHBondContact NZ-OD2 2.87Å
34	A	97.5	Very high	97.1	Very high	17 Å²	17	21 Å²	21	14%	0.14	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	140.7	178.6	0	0	0	0	0	111.3	L27 V36 Q37 H38	L27-A34 HydrophobicContact CD2-CB 4.12Å; A34-V36 VanDerWaalsContact C-N 3.28Å; A34-V36 HydrophobicContact CB-CG1 4.3Å; A34-V36 PolarHBondContact O-N 3.02Å; A34-Q37 HydrophobicContact CB-CB 4.25Å; A34-Q37 WeakPolarHBondContact O-CB 3.25Å; A34-Q37 PolarHBondContact O-N 3.48Å; A34-H38 PolarHBondContact O-CD2 3.31Å; A34-H38 PolarHBondContact O-N 2.68Å
35	M	98	Very high	97.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-52.5	-46.3	-179.7	-75.2	-173.2	-59.4	0	0	112.3	K25 V26 H28 L30 Q37 H38 V39 G104 D105 P107 V226 L232	K25-M35 WeakPolarHBondContact O-CE 3.46Å; V26-M35 PolarHBondContact O-N 2.91Å; H28-M35 HydrophobicContact CB-CE 4.18Å; H28-M35 WeakPolarHBondContact O-CG 3.36Å; H28-M35 PolarHBondContact O-N 3.01Å; L30-M35 HydrophobicContact CB-CG 4.48Å; M35-Q37 PolarHBondContact O-N 2.79Å; M35-H38 WeakPolarHBondContact O-CB 3.31Å; M35-H38 PolarHBondContact O-N 3.07Å; M35-V39 PolarHBondContact O-N 3.2Å; M35-G104 CarbonylContact C-O 3.59Å; M35-D105 HydrophobicContact CE-CB 4.49Å; M35-P107 HydrophobicContact CB-CB 4Å; M35-P107 HydrophobicContact CB-CG 4.35Å; M35-P107 HydrophobicContact CG-CB 4.04Å; M35-P107 HydrophobicContact CG-CG 3.94Å; M35-P107 HydrophobicContact SD-CG 4.17Å; M35-V226 HydrophobicContact CE-CB 4.04Å; M35-V226 HydrophobicContact CE-CG1 4.09Å; M35-V226 HydrophobicContact SD-CB 3.59Å; M35-V226 VanDerWaalsContact SD-CB 3.59Å; M35-V226 HydrophobicContact SD-CG1 3.94Å; M35-V226 HydrophobicContact SD-CG2 3.53Å; M35-V226 VanDerWaalsContact SD-CG2 3.53Å; M35-L232 HydrophobicContact CG-CD1 4.21Å; M35-L232 HydrophobicContact SD-CD1 3.73Å
36	V	97.4	Very high	97.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.2	-31.4	178.1	64	0	0	0	0	112.9	I10 V26 L27 A34 H38 V39 I40 L53 L66 G104	I10-V36 HydrophobicContact CG2-CG2 4.2Å; V26-V36 HydrophobicContact CB-CB 3.92Å; V26-V36 HydrophobicContact CB-CG1 4.37Å; V26-V36 HydrophobicContact CG2-CB 3.92Å; V26-V36 HydrophobicContact CG2-CG1 4.02Å; V26-V36 HydrophobicContact CG2-CG2 4.47Å; V26-V36 PolarHBondContact O-N 2.98Å; V26-V36 VanDerWaalsContact O-N 3.09Å; L27-V36 HydrophobicContact CD2-CG1 4.33Å; A34-V36 VanDerWaalsContact C-N 3.28Å; A34-V36 HydrophobicContact CB-CG1 4.3Å; A34-V36 PolarHBondContact O-N 3.02Å; V36-H38 VanDerWaalsContact C-N 3.34Å; V36-H38 PolarHBondContact O-N 2.95Å; V36-V39 PolarHBondContact O-N 3.1Å; V36-I40 HydrophobicContact CG2-CD1 3.97Å; V36-I40 HydrophobicContact CG2-CG1 4.35Å; V36-I40 VanDerWaalsContact O-CG1 3.29Å; V36-I40 WeakPolarHBondContact O-CG1 3.45Å; V36-I40 PolarHBondContact O-N 3.2Å; V36-L53 HydrophobicContact CG2-CD1 3.69Å; V36-L66 HydrophobicContact CG1-CD1 3.64Å; V36-L66 HydrophobicContact CG1-CD2 3.72Å; V36-L66 HydrophobicContact CG1-CG 4.29Å; V36-L66 HydrophobicContact CG2-CD1 4.39Å; V36-G104 PolarHBondContact N-O 3.46Å
37	Q	97.4	Very high	97.1	Very high	31 Å²	31	29.3 Å²	29.3	15%	0.145	18%	0.177	C	C	.	.	H	α-helix	trans	-68.7	-34.8	179.1	-172.6	65.7	56.5	0	0	111.1	K33 A34 M35 V39 I40 D41 L66	K33-Q37 HydrophobicContact CD-CB 4.06Å; K33-Q37 HydrophobicContact CD-CG 3.82Å; K33-Q37 HydrophobicContact CG-CB 3.73Å; K33-Q37 HydrophobicContact CG-CG 3.83Å; A34-Q37 HydrophobicContact CB-CB 4.25Å; A34-Q37 WeakPolarHBondContact O-CB 3.25Å; A34-Q37 PolarHBondContact O-N 3.48Å; M35-Q37 PolarHBondContact O-N 2.79Å; Q37-V39 VanDerWaalsContact C-N 3.27Å; Q37-V39 PolarHBondContact O-N 3.43Å; Q37-I40 PolarHBondContact O-N 2.9Å; Q37-D41 PolarHBondContact NE2-OD1 3.44Å; Q37-D41 WeakPolarHBondContact O-CB 3.26Å; Q37-D41 PolarHBondContact O-N 3.38Å; Q37-L66 HydrophobicContact CB-CD2 4.33Å
38	H	97.7	Very high	97.1	Very high	16 Å²	16	29.2 Å²	29.2	7%	0.074	18%	0.178	C	C	.	.	H	α-helix	trans	-60.3	-39.5	171.5	-70	-88.8	0	0	0	112	L30 A34 M35 V36 D41 A42 P107 Y239	L30-H38 PolarHBondContact O-NE2 3.3Å; A34-H38 PolarHBondContact O-CD2 3.31Å; A34-H38 PolarHBondContact O-N 2.68Å; M35-H38 WeakPolarHBondContact O-CB 3.31Å; M35-H38 PolarHBondContact O-N 3.07Å; V36-H38 VanDerWaalsContact C-N 3.34Å; V36-H38 PolarHBondContact O-N 2.95Å; H38-D41 PolarHBondContact O-N 2.91Å; H38-A42 PolarHBondContact O-N 3.36Å; H38-P107 HydrophobicContact CB-CB 4.16Å; H38-P107 WeakPolarHBondContact CB-O 3.41Å; H38-Y239 AromaticContact CE1-CZ 3.79Å
39	V	97.8	Very high	97	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-69.9	-39.3	178.2	-172.4	0	0	0	0	111.5	I10 M35 V36 Q37 A42 A43 L102	I10-V39 HydrophobicContact CD1-CB 4.31Å; I10-V39 HydrophobicContact CD1-CG1 3.83Å; I10-V39 HydrophobicContact CG1-CG1 4.09Å; I10-V39 HydrophobicContact CG2-CG1 4.18Å; M35-V39 PolarHBondContact O-N 3.2Å; V36-V39 PolarHBondContact O-N 3.1Å; Q37-V39 VanDerWaalsContact C-N 3.27Å; Q37-V39 PolarHBondContact O-N 3.43Å; V39-A42 PolarHBondContact O-N 3Å; V39-A43 WeakPolarHBondContact O-CB 3.45Å; V39-A43 PolarHBondContact O-N 3.32Å; V39-L102 HydrophobicContact CG1-CB 3.81Å; V39-L102 HydrophobicContact CG1-CD1 3.67Å; V39-L102 HydrophobicContact CG1-CG 4.38Å
40	I	97.5	Very high	96.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63	-45.2	174	-67.6	163.3	0	0	0	110.2	I10 V36 Q37 A42 A43 N44 V51 L66 D68 L71	I10-I40 HydrophobicContact CD1-CB 4.44Å; I10-I40 HydrophobicContact CD1-CG1 3.62Å; V36-I40 HydrophobicContact CG2-CD1 3.97Å; V36-I40 HydrophobicContact CG2-CG1 4.35Å; V36-I40 VanDerWaalsContact O-CG1 3.29Å; V36-I40 WeakPolarHBondContact O-CG1 3.45Å; V36-I40 PolarHBondContact O-N 3.2Å; Q37-I40 PolarHBondContact O-N 2.9Å; I40-A42 PolarHBondContact O-N 3.44Å; I40-A43 WeakPolarHBondContact O-CB 3.23Å; I40-A43 PolarHBondContact O-N 2.6Å; I40-N44 PolarHBondContact O-N 3.01Å; I40-N44 PolarHBondContact O-ND2 2.94Å; I40-V51 HydrophobicContact CG1-CG1 4.44Å; I40-L66 HydrophobicContact CD1-CD1 4.12Å; I40-D68 WeakPolarHBondContact CG2-OD2 3.36Å; I40-L71 HydrophobicContact CD1-CD1 4.19Å; I40-L71 HydrophobicContact CD1-CD2 3.91Å; I40-L71 HydrophobicContact CG1-CD2 4.11Å; I40-L71 HydrophobicContact CG2-CD2 4.33Å
41	D	96.7	Very high	96.9	Very high	51 Å²	51	31.9 Å²	31.9	27%	0.273	19%	0.193	S	C	.	.	H	α-helix	trans	-60.4	-45.4	178.6	-64.4	-11.8	0	0	0	110.8	K33 Q37 H38 A43 N44 E45	K33-D41 WeakPolarHBondContact CD-OD2 3.22Å; K33-D41 WeakPolarHBondContact CE-OD2 3.47Å; K33-D41 IonicContact NZ-OD2 3.99Å; K33-D41 PolarHBondContact NZ-OD2 2.87Å; Q37-D41 PolarHBondContact NE2-OD1 3.44Å; Q37-D41 WeakPolarHBondContact O-CB 3.26Å; Q37-D41 PolarHBondContact O-N 3.38Å; H38-D41 PolarHBondContact O-N 2.91Å; D41-A43 VanDerWaalsContact C-N 3.35Å; D41-A43 PolarHBondContact O-N 2.97Å; D41-N44 PolarHBondContact O-N 3.46Å; D41-E45 WeakPolarHBondContact O-CB 3.12Å; D41-E45 PolarHBondContact O-N 2.93Å
42	A	97	Very high	96.9	Very high	10 Å²	10	31.8 Å²	31.8	8%	0.083	19%	0.192	C	C	.	.	H	α-helix	trans	-63.3	-38	176.1	0	0	0	0	0	112.8	H38 V39 I40 L46 V111	H38-A42 PolarHBondContact O-N 3.36Å; V39-A42 PolarHBondContact O-N 3Å; I40-A42 PolarHBondContact O-N 3.44Å; A42-L46 WeakPolarHBondContact O-CB 3.49Å; A42-L46 PolarHBondContact O-N 3.42Å; A42-V111 HydrophobicContact CB-CG2 4.08Å
43	A	96.9	Very high	96.9	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.5	-44.9	175	0	0	0	0	0	111.9	V8 V39 I40 D41 L46 G47 A48 V51	V8-A43 HydrophobicContact CB-CB 4.03Å; V8-A43 HydrophobicContact CG1-CB 3.97Å; V8-A43 HydrophobicContact CG2-CB 3.79Å; V39-A43 WeakPolarHBondContact O-CB 3.45Å; V39-A43 PolarHBondContact O-N 3.32Å; I40-A43 WeakPolarHBondContact O-CB 3.23Å; I40-A43 PolarHBondContact O-N 2.6Å; D41-A43 VanDerWaalsContact C-N 3.35Å; D41-A43 PolarHBondContact O-N 2.97Å; A43-L46 PolarHBondContact O-N 3.12Å; A43-G47 PolarHBondContact O-N 3.35Å; A43-A48 HydrophobicContact CB-CB 4.46Å; A43-A48 VanDerWaalsContact O-CB 3.23Å; A43-A48 WeakPolarHBondContact O-CB 3.24Å; A43-A48 PolarHBondContact O-N 3.39Å; A43-A48 VanDerWaalsContact O-N 3.15Å; A43-V51 HydrophobicContact CB-CG2 4.04Å
44	N	95.7	Very high	96.9	Very high	51 Å²	51	25.5 Å²	25.5	27%	0.273	15%	0.15	S	C	.	.	H	α-helix	trans	-66.5	-41.3	177.4	-73.4	-30.2	0	0	0	111.8	I40 D41 L46 G47 D68 N70	I40-N44 PolarHBondContact O-N 3.01Å; I40-N44 PolarHBondContact O-ND2 2.94Å; D41-N44 PolarHBondContact O-N 3.46Å; N44-L46 VanDerWaalsContact C-N 3.28Å; N44-L46 PolarHBondContact O-N 2.63Å; N44-G47 WeakPolarHBondContact O-CA 3.37Å; N44-G47 PolarHBondContact O-N 2.66Å; N44-D68 PolarHBondContact ND2-OD2 3.33Å; N44-N70 PolarHBondContact OD1-ND2 3.41Å
45	E	95.8	Very high	96.9	Very high	145 Å²	145	25.8 Å²	25.8	68%	0.678	15%	0.148	S	C	*	.	H	α-helix	trans	-63.5	-33.3	176.6	-170.6	174.8	165.6	0	0	112.3	D41 G47 V111	D41-E45 WeakPolarHBondContact O-CB 3.12Å; D41-E45 PolarHBondContact O-N 2.93Å; E45-G47 PolarHBondContact O-N 3.22Å; E45-V111 HydrophobicContact CB-CG2 4Å; E45-V111 HydrophobicContact CG-CG1 4.26Å; E45-V111 HydrophobicContact CG-CG2 4.07Å
46	L	95.4	Very high	96.6	Very high	10 Å²	10	26.4 Å²	26.4	5%	0.052	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-6.7	172.8	-163.2	68.2	0	0	0	113.5	M6 A42 A43 N44 L100 V111 L114 Q115	M6-L46 HydrophobicContact CE-CB 4.03Å; M6-L46 HydrophobicContact CE-CD2 3.66Å; M6-L46 HydrophobicContact CE-CG 3.74Å; A42-L46 WeakPolarHBondContact O-CB 3.49Å; A42-L46 PolarHBondContact O-N 3.42Å; A43-L46 PolarHBondContact O-N 3.12Å; N44-L46 VanDerWaalsContact C-N 3.28Å; N44-L46 PolarHBondContact O-N 2.63Å; L46-L100 HydrophobicContact CD2-CD2 3.57Å; L46-V111 HydrophobicContact CD1-CG1 4.07Å; L46-L114 HydrophobicContact CD1-CB 4.25Å; L46-L114 HydrophobicContact CD2-CB 3.75Å; L46-L114 HydrophobicContact CD2-CD1 4.38Å; L46-Q115 HydrophobicContact CD1-CB 4.04Å
47	G	94.9	Very high	96	Very high	49 Å²	49	31.1 Å²	31.1	51%	0.505	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	83	37.2	178.4	0	0	0	0	0	114.2	A43 N44 E45 A49	A43-G47 PolarHBondContact O-N 3.35Å; N44-G47 WeakPolarHBondContact O-CA 3.37Å; N44-G47 PolarHBondContact O-N 2.66Å; E45-G47 PolarHBondContact O-N 3.22Å; G47-A49 PolarHBondContact O-N 2.8Å
48	A	96.4	Very high	95.5	Very high	9 Å²	9	30.9 Å²	30.9	7%	0.074	18%	0.182	C	C	.	.			trans	-62.2	126.3	174.4	0	0	0	0	0	112.1	M6 V8 A43 V51 N70	M6-A48 HydrophobicContact CE-CB 4.08Å; M6-A48 CarbonylContact O-C 3.57Å; M6-A48 WeakPolarHBondContact O-CA 3.46Å; M6-A48 HydrophobicContact SD-CB 4.3Å; V8-A48 HydrophobicContact CB-CB 4.4Å; V8-A48 HydrophobicContact CG2-CB 3.68Å; A43-A48 HydrophobicContact CB-CB 4.46Å; A43-A48 VanDerWaalsContact O-CB 3.23Å; A43-A48 WeakPolarHBondContact O-CB 3.24Å; A43-A48 PolarHBondContact O-N 3.39Å; A43-A48 VanDerWaalsContact O-N 3.15Å; A48-V51 HydrophobicContact CB-CG2 4.02Å; A48-N70 PolarHBondContact O-ND2 2.74Å
49	A	95.2	Very high	95.2	Very high	48 Å²	48	30.4 Å²	30.4	40%	0.397	18%	0.181	S	C	.	.	S	Bend	trans	-70.1	-36.3	174.7	0	0	0	0	0	112	M6 G47 N70	M6-A49 PolarHBondContact O-N 2.93Å; G47-A49 PolarHBondContact O-N 2.8Å; A49-N70 PolarHBondContact O-OD1 3.04Å
50	H	96.5	Very high	94.9	Very high	96 Å²	96	36.1 Å²	36.1	44%	0.444	21%	0.212	S	C	.	.			trans	-140.3	145.3	172.1	-61.9	-56.6	0	0	0	110.8	S7 V8	S7-H50 WeakPolarHBondContact CA-O 3.21Å; S7-H50 WeakPolarHBondContact CB-O 3.29Å; S7-H50 PolarHBondContact OG-N 3.33Å; V8-H50 PolarHBondContact N-O 2.8Å
51	V	97.9	Very high	94.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	103	170.4	-178.3	0	0	0	0	109.1	V8 I10 I40 A43 A48 L53 N70 L71 N72	V8-V51 CarbonylContact O-C 3.48Å; V8-V51 WeakPolarHBondContact O-CA 3.09Å; I10-V51 HydrophobicContact CD1-CG1 3.54Å; I10-V51 HydrophobicContact CG1-CG1 4.09Å; I40-V51 HydrophobicContact CG1-CG1 4.44Å; A43-V51 HydrophobicContact CB-CG2 4.04Å; A48-V51 HydrophobicContact CB-CG2 4.02Å; V51-L53 PolarHBondContact O-N 3.02Å; V51-N70 PolarHBondContact N-O 2.85Å; V51-N70 VanDerWaalsContact N-O 3.07Å; V51-L71 HydrophobicContact CB-CD2 3.94Å; V51-L71 HydrophobicContact CG1-CD2 3.66Å; V51-L71 WeakPolarHBondContact O-CA 3.16Å; V51-N72 PolarHBondContact O-N 2.86Å
52	H	98.2	Very high	94.6	Very high	3 Å²	3	37.1 Å²	37.1	1%	0.014	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	102.5	177	-52.3	-47.9	0	0	0	110.4	V8 V9 I10 V54 N72 V74 A89 F93	V8-H52 PolarHBondContact O-N 3.37Å; V9-H52 CarbonylContact C-O 3.24Å; V9-H52 WeakPolarHBondContact CA-O 3.31Å; V9-H52 HydrophobicContact CG2-CB 4.17Å; I10-H52 PolarHBondContact N-O 2.94Å; H52-V54 PolarHBondContact O-N 3.11Å; H52-N72 CarbonylContact C-O 3.6Å; H52-N72 WeakPolarHBondContact CA-O 3.4Å; H52-N72 WeakPolarHBondContact ND1-CB 3.4Å; H52-N72 PolarHBondContact ND1-ND2 3.03Å; H52-V74 HydrophobicContact CB-CG2 4.24Å; H52-A89 HydrophobicContact CB-CB 4.27Å; H52-F93 AromaticContact CD2-CE1 3.92Å
53	L	98	Very high	94.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	106.8	179.4	-172.1	65.8	0	0	0	109.8	I10 A12 V36 V51 Y55 L66 L71 N72 W73 V74	I10-L53 HydrophobicContact CB-CD1 3.72Å; I10-L53 HydrophobicContact CG2-CD1 3.72Å; A12-L53 HydrophobicContact CB-CD1 3.71Å; A12-L53 HydrophobicContact CB-CG 4.34Å; V36-L53 HydrophobicContact CG2-CD1 3.69Å; V51-L53 PolarHBondContact O-N 3.02Å; L53-Y55 PolarHBondContact O-N 3.26Å; L53-L66 HydrophobicContact CD2-CD1 3.63Å; L53-L71 HydrophobicContact CB-CD2 4.28Å; L53-N72 PolarHBondContact N-O 3.09Å; L53-W73 HydrophobicContact CD2-CE3 4.13Å; L53-W73 HydrophobicContact CD2-CH2 3.82Å; L53-W73 HydrophobicContact CD2-CZ3 3.57Å; L53-V74 PolarHBondContact O-N 3.2Å
54	V	97.9	Very high	94.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	110.6	178.1	-174.7	0	0	0	0	109.4	V9 I10 L11 A12 A13 H52 V74 Q76 A85 A89	V9-V54 HydrophobicContact CG1-CG2 3.71Å; I10-V54 PolarHBondContact O-N 3.22Å; L11-V54 HydrophobicContact CD2-CB 4.02Å; L11-V54 HydrophobicContact CD2-CG2 4.03Å; A12-V54 CarbonylContact C-O 3.18Å; A12-V54 VanDerWaalsContact C-O 3.31Å; A12-V54 VanDerWaalsContact CA-O 3.29Å; A12-V54 WeakPolarHBondContact CA-O 3.34Å; A12-V54 WeakPolarHBondContact CB-O 3.16Å; A12-V54 PolarHBondContact N-O 2.79Å; A13-V54 PolarHBondContact N-O 3.47Å; A13-V54 VanDerWaalsContact N-O 3.17Å; H52-V54 PolarHBondContact O-N 3.11Å; V54-V74 CarbonylContact C-O 3.53Å; V54-V74 VanDerWaalsContact CA-O 3.28Å; V54-V74 WeakPolarHBondContact CA-O 3.34Å; V54-V74 HydrophobicContact CG2-CB 4.14Å; V54-V74 HydrophobicContact CG2-CG1 4.21Å; V54-Q76 HydrophobicContact CG1-CB 3.8Å; V54-A85 HydrophobicContact CG1-CB 4.01Å; V54-A89 HydrophobicContact CG2-CB 4.07Å
55	Y	96.2	Very high	94.1	Very high	22 Å²	22	48 Å²	48	9%	0.086	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	161.2	-176.9	71.1	-78.3	0	0	0	111.6	L53 G59 K63 W73 V74 L75 Q76	L53-Y55 PolarHBondContact O-N 3.26Å; Y55-G59 VanDerWaalsContact CD2-CA 3.46Å; Y55-K63 VanDerWaalsContact OH-CE 3.29Å; Y55-K63 WeakPolarHBondContact OH-CE 3.44Å; Y55-K63 PolarHBondContact OH-NZ 2.8Å; Y55-W73 HydrophobicContact CD1-CB 4.39Å; Y55-W73 AromaticContact CD1-CE3 3.75Å; Y55-W73 HydrophobicContact CD1-CE3 3.75Å; Y55-W73 HydrophobicContact CE1-CB 3.73Å; Y55-W73 AromaticContact CE1-CE3 3.99Å; Y55-W73 HydrophobicContact CE1-CE3 3.99Å; Y55-W73 HydrophobicContact CG-CE3 4.24Å; Y55-V74 WeakPolarHBondContact CD1-O 3.38Å; Y55-V74 VanDerWaalsContact CE1-C 3.44Å; Y55-V74 WeakPolarHBondContact CE1-O 3.37Å; Y55-V74 PolarHBondContact N-O 3.04Å; Y55-L75 HydrophobicContact CD2-CD1 4.09Å; Y55-L75 HydrophobicContact CE1-CB 4.18Å; Y55-L75 HydrophobicContact CE2-CB 4.43Å; Y55-L75 HydrophobicContact CE2-CD1 3.67Å; Y55-Q76 PolarHBondContact O-N 3.49Å
56	G	92.3	Very high	94	Very high	14 Å²	14	41.5 Å²	41.5	14%	0.144	24%	0.243	C	C	.	.			trans	-145.5	-102.8	177.1	0	0	0	0	0	109.5	G58 G59	G56-G58 PolarHBondContact O-N 2.91Å; G56-G59 PolarHBondContact O-N 3.21Å
57	H	83.8	Confident	93.3	Very high	99 Å²	99	49.7 Å²	49.7	46%	0.458	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	130.3	179.9	-169.7	69.4	0	0	0	112.6	G59	H57-G59 VanDerWaalsContact C-N 3.34Å
58	G	87.9	Confident	92.7	Very high	26 Å²	26	49.4 Å²	49.4	27%	0.268	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.1	25.9	179.5	0	0	0	0	0	114.9	G56 D60 L61 L62	G56-G58 PolarHBondContact O-N 2.91Å; G58-D60 PolarHBondContact O-N 2.9Å; G58-L61 PolarHBondContact O-N 2.83Å; G58-L62 PolarHBondContact O-N 2.86Å
59	G	90.3	Very high	91.9	Very high	6 Å²	6	57.5 Å²	57.5	6%	0.062	31%	0.308	C	S	.	.	H	α-helix	trans	-50.9	-36.4	177.8	0	0	0	0	0	115	Y55 G56 H57 L61 L62 K63	Y55-G59 VanDerWaalsContact CD2-CA 3.46Å; G56-G59 PolarHBondContact O-N 3.21Å; H57-G59 VanDerWaalsContact C-N 3.34Å; G59-L61 PolarHBondContact O-N 2.84Å; G59-L62 WeakPolarHBondContact O-CB 3.38Å; G59-L62 PolarHBondContact O-N 3.44Å; G59-K63 WeakPolarHBondContact O-CG 3.5Å; G59-K63 PolarHBondContact O-N 3.4Å
60	D	92.5	Very high	91.7	Very high	119 Å²	119	57.1 Å²	57.1	64%	0.636	30%	0.299	S	S	*	.	H	α-helix	trans	-64.7	-40.2	178.3	-66.5	-20.4	0	0	0	112.2	G58 L62 K63 Q64	G58-D60 PolarHBondContact O-N 2.9Å; D60-L62 VanDerWaalsContact C-N 3.35Å; D60-K63 PolarHBondContact O-N 2.68Å; D60-Q64 VanDerWaalsContact O-CG 3.24Å; D60-Q64 WeakPolarHBondContact O-CG 3.31Å; D60-Q64 PolarHBondContact O-N 3.01Å
61	L	93.7	Very high	91.6	Very high	72 Å²	72	53.5 Å²	53.5	38%	0.377	28%	0.283	S	S	.	.	H	α-helix	trans	-66.4	-38.7	175.5	-68.6	172.4	0	0	0	111.3	P24 L27 G58 G59 Q64 A65	P24-L61 HydrophobicContact CG-CB 4.25Å; P24-L61 HydrophobicContact CG-CD1 4.3Å; L27-L61 HydrophobicContact CD1-CB 4.01Å; G58-L61 PolarHBondContact O-N 2.83Å; G59-L61 PolarHBondContact O-N 2.84Å; L61-Q64 PolarHBondContact O-N 2.87Å; L61-A65 VanDerWaalsContact O-CB 3.29Å; L61-A65 WeakPolarHBondContact O-CB 3.46Å; L61-A65 PolarHBondContact O-N 3.34Å
62	L	94.1	Very high	91.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-60.6	-49.8	174.3	-75.5	162.9	0	0	0	111.1	V26 L27 G58 G59 D60 Q64 A65 L66 W73	V26-L62 HydrophobicContact CG2-CD2 3.62Å; L27-L62 HydrophobicContact CD1-CD2 4.08Å; L27-L62 HydrophobicContact CD1-CG 4.24Å; L27-L62 HydrophobicContact CD2-CD2 3.76Å; L27-L62 HydrophobicContact CG-CD2 3.64Å; L27-L62 HydrophobicContact CG-CG 4.33Å; G58-L62 PolarHBondContact O-N 2.86Å; G59-L62 WeakPolarHBondContact O-CB 3.38Å; G59-L62 PolarHBondContact O-N 3.44Å; D60-L62 VanDerWaalsContact C-N 3.35Å; L62-Q64 VanDerWaalsContact C-N 3.27Å; L62-Q64 PolarHBondContact O-N 2.86Å; L62-A65 PolarHBondContact O-N 3.27Å; L62-L66 HydrophobicContact CD2-CD1 3.99Å; L62-L66 WeakPolarHBondContact O-CB 3.39Å; L62-L66 WeakPolarHBondContact O-CG 3.25Å; L62-L66 PolarHBondContact O-N 3.38Å; L62-W73 VanDerWaalsContact C-CH2 3.5Å; L62-W73 HydrophobicContact CB-CH2 4.03Å; L62-W73 HydrophobicContact CB-CZ3 3.77Å; L62-W73 WeakPolarHBondContact O-CH2 3.17Å
63	K	92.6	Very high	91.4	Very high	90 Å²	90	58.8 Å²	58.8	39%	0.391	31%	0.306	S	S	.	.	H	α-helix	trans	-63.9	-29.4	179.8	-71.8	177.3	-177.5	176.4	0	113.7	Y55 G59 D60 W73	Y55-K63 VanDerWaalsContact OH-CE 3.29Å; Y55-K63 WeakPolarHBondContact OH-CE 3.44Å; Y55-K63 PolarHBondContact OH-NZ 2.8Å; G59-K63 WeakPolarHBondContact O-CG 3.5Å; G59-K63 PolarHBondContact O-N 3.4Å; D60-K63 PolarHBondContact O-N 2.68Å; K63-W73 HydrophobicContact CB-CH2 4.28Å; K63-W73 HydrophobicContact CB-CZ2 4.35Å; K63-W73 HydrophobicContact CG-CD2 3.79Å; K63-W73 HydrophobicContact CG-CE3 3.68Å; K63-W73 HydrophobicContact CG-CH2 3.81Å; K63-W73 HydrophobicContact CG-CZ2 3.93Å; K63-W73 HydrophobicContact CG-CZ3 3.69Å
64	Q	93.4	Very high	91.4	Very high	139 Å²	139	59.1 Å²	59.1	65%	0.65	31%	0.308	S	S	*	.	H	α-helix	trans	-76	-39.2	175.4	-72.8	171.4	20.3	0	0	112.2	D60 L61 L62	D60-Q64 VanDerWaalsContact O-CG 3.24Å; D60-Q64 WeakPolarHBondContact O-CG 3.31Å; D60-Q64 PolarHBondContact O-N 3.01Å; L61-Q64 PolarHBondContact O-N 2.87Å; L62-Q64 VanDerWaalsContact C-N 3.27Å; L62-Q64 PolarHBondContact O-N 2.86Å
65	A	93.4	Very high	91.4	Very high	62 Å²	62	63.4 Å²	63.4	51%	0.512	33%	0.331	S	S	.	.	H	α-helix	trans	-81.8	-34.7	-174.2	0	0	0	0	0	113.4	L27 L61 L62	L27-A65 HydrophobicContact CD1-CB 4.19Å; L27-A65 HydrophobicContact CD2-CB 3.75Å; L61-A65 VanDerWaalsContact O-CB 3.29Å; L61-A65 WeakPolarHBondContact O-CB 3.46Å; L61-A65 PolarHBondContact O-N 3.34Å; L62-A65 PolarHBondContact O-N 3.27Å
66	L	93.7	Very high	91.4	Very high	7 Å²	7	62.8 Å²	62.8	4%	0.037	33%	0.328	C	S	.	.			trans	-99.8	124.6	-175.4	-53.3	176.6	0	0	0	110.1	L27 V36 Q37 I40 L53 L62 L71 W73	L27-L66 HydrophobicContact CD2-CD2 4.22Å; L27-L66 HydrophobicContact CD2-CG 4.35Å; V36-L66 HydrophobicContact CG1-CD1 3.64Å; V36-L66 HydrophobicContact CG1-CD2 3.72Å; V36-L66 HydrophobicContact CG1-CG 4.29Å; V36-L66 HydrophobicContact CG2-CD1 4.39Å; Q37-L66 HydrophobicContact CB-CD2 4.33Å; I40-L66 HydrophobicContact CD1-CD1 4.12Å; L53-L66 HydrophobicContact CD2-CD1 3.63Å; L62-L66 HydrophobicContact CD2-CD1 3.99Å; L62-L66 WeakPolarHBondContact O-CB 3.39Å; L62-L66 WeakPolarHBondContact O-CG 3.25Å; L62-L66 PolarHBondContact O-N 3.38Å; L66-L71 HydrophobicContact CB-CD1 4.29Å; L66-W73 HydrophobicContact CB-CH2 4.06Å; L66-W73 HydrophobicContact CB-CZ2 4.22Å; L66-W73 HydrophobicContact CD1-CH2 4Å; L66-W73 HydrophobicContact CG-CH2 4.48Å
67	K	81.2	Confident	91.4	Very high	183 Å²	183	65.9 Å²	65.9	80%	0.796	35%	0.353	S	S	*	.			trans	-130.3	101.5	177.4	-64.1	-175.6	-177.8	-178.6	0	108.5
68	D	81.5	Confident	91.8	Very high	42 Å²	42	67.2 Å²	67.2	23%	0.225	36%	0.359	C	S	.	.			trans	-149.6	131.2	176.1	-174.9	-36.1	0	0	0	107.8	I40 N44 N70 L71	I40-D68 WeakPolarHBondContact CG2-OD2 3.36Å; N44-D68 PolarHBondContact ND2-OD2 3.33Å; D68-N70 PolarHBondContact O-N 3.44Å; D68-N70 WeakPolarHBondContact OD1-CB 3.46Å; D68-N70 PolarHBondContact OD1-N 2.91Å; D68-L71 HydrophobicContact CB-CD1 3.69Å; D68-L71 HydrophobicContact CB-CG 3.83Å; D68-L71 PolarHBondContact O-N 2.75Å
69	D	80.7	Confident	91.9	Very high	180 Å²	180	70.9 Å²	70.9	96%	0.963	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-18.6	-174.5	-66.1	-25.8	0	0	0	112.2	L71	D69-L71 VanDerWaalsContact C-N 3.35Å
70	N	89.6	Confident	92.1	Very high	39 Å²	39	73.6 Å²	73.6	21%	0.209	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	0.2	-179.2	-159.8	19.4	0	0	0	113.8	N44 A48 A49 V51 D68	N44-N70 PolarHBondContact OD1-ND2 3.41Å; A48-N70 PolarHBondContact O-ND2 2.74Å; A49-N70 PolarHBondContact O-OD1 3.04Å; V51-N70 PolarHBondContact N-O 2.85Å; V51-N70 VanDerWaalsContact N-O 3.07Å; D68-N70 PolarHBondContact O-N 3.44Å; D68-N70 WeakPolarHBondContact OD1-CB 3.46Å; D68-N70 PolarHBondContact OD1-N 2.91Å
71	L	94.4	Very high	92.1	Very high	21 Å²	21	68.4 Å²	68.4	11%	0.11	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	122.8	-176	-70.7	173.1	0	0	0	112.9	I40 V51 L53 L66 D68 D69 W73	I40-L71 HydrophobicContact CD1-CD1 4.19Å; I40-L71 HydrophobicContact CD1-CD2 3.91Å; I40-L71 HydrophobicContact CG1-CD2 4.11Å; I40-L71 HydrophobicContact CG2-CD2 4.33Å; V51-L71 HydrophobicContact CB-CD2 3.94Å; V51-L71 HydrophobicContact CG1-CD2 3.66Å; V51-L71 WeakPolarHBondContact O-CA 3.16Å; L53-L71 HydrophobicContact CB-CD2 4.28Å; L66-L71 HydrophobicContact CB-CD1 4.29Å; D68-L71 HydrophobicContact CB-CD1 3.69Å; D68-L71 HydrophobicContact CB-CG 3.83Å; D68-L71 PolarHBondContact O-N 2.75Å; D69-L71 VanDerWaalsContact C-N 3.35Å; L71-W73 HydrophobicContact CD1-CZ2 4.2Å
72	N	96.7	Very high	92.2	Very high	45 Å²	45	67.1 Å²	67.1	24%	0.241	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	119.9	162.5	-178.3	25.5	0	0	0	110.1	V51 H52 L53 V74 F92	V51-N72 PolarHBondContact O-N 2.86Å; H52-N72 CarbonylContact C-O 3.6Å; H52-N72 WeakPolarHBondContact CA-O 3.4Å; H52-N72 WeakPolarHBondContact ND1-CB 3.4Å; H52-N72 PolarHBondContact ND1-ND2 3.03Å; L53-N72 PolarHBondContact N-O 3.09Å; N72-V74 PolarHBondContact O-N 3.23Å; N72-F92 WeakPolarHBondContact ND2-CD1 3.1Å; N72-F92 WeakPolarHBondContact ND2-CD2 3.48Å; N72-F92 VanDerWaalsContact ND2-CG 3.34Å; N72-F92 WeakPolarHBondContact ND2-CG 3.45Å
73	W	96.8	Very high	92.3	Very high	68 Å²	68	67.1 Å²	67.1	26%	0.258	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	109.6	-177.5	-68.2	91.2	0	0	0	111.4	L53 Y55 L62 K63 L66 L71	L53-W73 HydrophobicContact CD2-CE3 4.13Å; L53-W73 HydrophobicContact CD2-CH2 3.82Å; L53-W73 HydrophobicContact CD2-CZ3 3.57Å; Y55-W73 HydrophobicContact CD1-CB 4.39Å; Y55-W73 AromaticContact CD1-CE3 3.75Å; Y55-W73 HydrophobicContact CD1-CE3 3.75Å; Y55-W73 HydrophobicContact CE1-CB 3.73Å; Y55-W73 AromaticContact CE1-CE3 3.99Å; Y55-W73 HydrophobicContact CE1-CE3 3.99Å; Y55-W73 HydrophobicContact CG-CE3 4.24Å; L62-W73 VanDerWaalsContact C-CH2 3.5Å; L62-W73 HydrophobicContact CB-CH2 4.03Å; L62-W73 HydrophobicContact CB-CZ3 3.77Å; L62-W73 WeakPolarHBondContact O-CH2 3.17Å; K63-W73 HydrophobicContact CB-CH2 4.28Å; K63-W73 HydrophobicContact CB-CZ2 4.35Å; K63-W73 HydrophobicContact CG-CD2 3.79Å; K63-W73 HydrophobicContact CG-CE3 3.68Å; K63-W73 HydrophobicContact CG-CH2 3.81Å; K63-W73 HydrophobicContact CG-CZ2 3.93Å; K63-W73 HydrophobicContact CG-CZ3 3.69Å; L66-W73 HydrophobicContact CB-CH2 4.06Å; L66-W73 HydrophobicContact CB-CZ2 4.22Å; L66-W73 HydrophobicContact CD1-CH2 4Å; L66-W73 HydrophobicContact CG-CH2 4.48Å; L71-W73 HydrophobicContact CD1-CZ2 4.2Å
74	V	97.3	Very high	92.6	Very high	8 Å²	8	64 Å²	64	5%	0.048	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	113.6	-178.3	-178	0	0	0	0	110.6	H52 L53 V54 Y55 N72 Q88 A89 F92	H52-V74 HydrophobicContact CB-CG2 4.24Å; L53-V74 PolarHBondContact O-N 3.2Å; V54-V74 CarbonylContact C-O 3.53Å; V54-V74 VanDerWaalsContact CA-O 3.28Å; V54-V74 WeakPolarHBondContact CA-O 3.34Å; V54-V74 HydrophobicContact CG2-CB 4.14Å; V54-V74 HydrophobicContact CG2-CG1 4.21Å; Y55-V74 WeakPolarHBondContact CD1-O 3.38Å; Y55-V74 VanDerWaalsContact CE1-C 3.44Å; Y55-V74 WeakPolarHBondContact CE1-O 3.37Å; Y55-V74 PolarHBondContact N-O 3.04Å; N72-V74 PolarHBondContact O-N 3.23Å; V74-Q88 VanDerWaalsContact CG1-C 3.46Å; V74-Q88 HydrophobicContact CG1-CB 3.56Å; V74-Q88 WeakPolarHBondContact CG1-O 3.38Å; V74-A89 HydrophobicContact CG1-CB 4.35Å; V74-A89 HydrophobicContact CG2-CB 4.41Å; V74-F92 HydrophobicContact CG2-CD2 4.1Å; V74-F92 HydrophobicContact CG2-CE2 3.9Å
75	L	97	Very high	92.7	Very high	90 Å²	90	57.5 Å²	57.5	47%	0.471	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	122.4	-179.5	178.9	64.6	0	0	0	111.1	Y55	Y55-L75 HydrophobicContact CD2-CD1 4.09Å; Y55-L75 HydrophobicContact CE1-CB 4.18Å; Y55-L75 HydrophobicContact CE2-CB 4.43Å; Y55-L75 HydrophobicContact CE2-CD1 3.67Å
76	Q	96.4	Very high	93	Very high	9 Å²	9	54.6 Å²	54.6	4%	0.042	28%	0.284	C	S	.	.			trans	-97	93.7	162.2	-175.4	-174.2	34.5	0	0	108.9	A13 V54 Y55 E78 Q79 G81 Q88	A13-Q76 HydrophobicContact CB-CB 4.35Å; V54-Q76 HydrophobicContact CG1-CB 3.8Å; Y55-Q76 PolarHBondContact O-N 3.49Å; Q76-E78 WeakPolarHBondContact CG-O 3.38Å; Q76-E78 PolarHBondContact NE2-O 3.39Å; Q76-E78 PolarHBondContact O-N 3.28Å; Q76-Q79 PolarHBondContact O-NE2 3.2Å; Q76-Q79 VanDerWaalsContact O-NE2 3.09Å; Q76-G81 PolarHBondContact NE2-O 2.86Å; Q76-Q88 HydrophobicContact CB-CG 4.37Å; Q76-Q88 HydrophobicContact CG-CG 4.45Å
77	A	92.4	Very high	93.2	Very high	79 Å²	79	56.6 Å²	56.6	65%	0.653	29%	0.294	S	S	*	.	S	Bend	trans	-63.4	-41.9	-178.1	0	0	0	0	0	112.1
78	E	92	Very high	94	Very high	127 Å²	127	50.9 Å²	50.9	59%	0.593	27%	0.27	S	S	*	.	S	Bend	trans	-116.2	129.3	179.7	-59.8	-176.7	146.7	0	0	111	Q76 L80 H84	Q76-E78 WeakPolarHBondContact CG-O 3.38Å; Q76-E78 PolarHBondContact NE2-O 3.39Å; Q76-E78 PolarHBondContact O-N 3.28Å; E78-L80 VanDerWaalsContact C-N 3.27Å; E78-L80 HydrophobicContact CB-CD1 4.3Å; E78-L80 HydrophobicContact CB-CD2 4.26Å; E78-L80 HydrophobicContact CB-CG 3.92Å; E78-L80 PolarHBondContact O-N 3.32Å; E78-H84 PolarHBondContact O-CE1 3.08Å; E78-H84 PolarHBondContact O-ND1 2.89Å; E78-H84 VanDerWaalsContact O-ND1 3.14Å
79	Q	90.6	Very high	94.8	Very high	103 Å²	103	48.9 Å²	48.9	48%	0.481	26%	0.259	S	S	.	.			trans	-82.5	68.5	-178.6	-71.2	73.3	64.1	0	0	111.2	Q76 G81	Q76-Q79 PolarHBondContact O-NE2 3.2Å; Q76-Q79 VanDerWaalsContact O-NE2 3.09Å; Q79-G81 PolarHBondContact O-N 2.67Å
80	L	94.6	Very high	95.6	Very high	62 Å²	62	40.9 Å²	40.9	33%	0.325	22%	0.218	S	C	.	.			trans	-86.7	29.1	179.5	-51.4	176.7	0	0	0	113.5	E78 H84 Y196	E78-L80 VanDerWaalsContact C-N 3.27Å; E78-L80 HydrophobicContact CB-CD1 4.3Å; E78-L80 HydrophobicContact CB-CD2 4.26Å; E78-L80 HydrophobicContact CB-CG 3.92Å; E78-L80 PolarHBondContact O-N 3.32Å; L80-H84 HydrophobicContact CB-CB 3.83Å; L80-Y196 HydrophobicContact CB-CD2 4.19Å; L80-Y196 HydrophobicContact CB-CE2 4.46Å; L80-Y196 WeakPolarHBondContact O-CD2 3.46Å; L80-Y196 PolarHBondContact O-N 2.99Å
81	G	93.2	Very high	96	Very high	11 Å²	11	44 Å²	44	11%	0.113	24%	0.24	C	C	.	.			trans	96.3	172.4	-177.6	0	0	0	0	0	115.6	Q76 Q79 H84 A85	Q76-G81 PolarHBondContact NE2-O 2.86Å; Q79-G81 PolarHBondContact O-N 2.67Å; G81-H84 PolarHBondContact O-N 2.83Å; G81-A85 PolarHBondContact O-N 2.85Å; G81-A85 VanDerWaalsContact O-N 3.12Å
82	T	95.1	Very high	96.2	Very high	44 Å²	44	48 Å²	48	27%	0.27	26%	0.257	S	S	.	.	H	α-helix	trans	-71.7	-32.6	-176.5	49	0	0	0	0	113	L11 A85 M86 Y103 I198	L11-T82 HydrophobicContact CD1-CG2 3.8Å; T82-A85 WeakPolarHBondContact O-CB 3.31Å; T82-A85 PolarHBondContact O-N 2.95Å; T82-M86 PolarHBondContact O-N 3.27Å; T82-Y103 HydrophobicContact CG2-CE1 4.39Å; T82-I198 WeakPolarHBondContact OG1-CG2 3.42Å; T82-I198 PolarHBondContact OG1-N 3.44Å
83	G	97.1	Very high	96.2	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.6	-42.9	172.1	0	0	0	0	0	111.5	A85 M86 Q87 Y196	G83-A85 VanDerWaalsContact C-N 3.34Å; G83-A85 PolarHBondContact O-N 3.23Å; G83-M86 PolarHBondContact O-N 3.33Å; G83-Q87 WeakPolarHBondContact O-CG 3.27Å; G83-Q87 PolarHBondContact O-N 3.06Å; G83-Y196 VanDerWaalsContact CA-O 3.31Å; G83-Y196 WeakPolarHBondContact CA-O 3.43Å; G83-Y196 PolarHBondContact N-O 3.18Å
84	H	97.3	Very high	96.3	Very high	25 Å²	25	44.6 Å²	44.6	12%	0.116	25%	0.249	C	C	.	.	H	α-helix	trans	-64.1	-39	174.4	-177.8	-117.4	0	0	0	112.2	E78 L80 G81 M86 Q87 Q88 Y196	E78-H84 PolarHBondContact O-CE1 3.08Å; E78-H84 PolarHBondContact O-ND1 2.89Å; E78-H84 VanDerWaalsContact O-ND1 3.14Å; L80-H84 HydrophobicContact CB-CB 3.83Å; G81-H84 PolarHBondContact O-N 2.83Å; H84-M86 VanDerWaalsContact C-N 3.34Å; H84-M86 PolarHBondContact O-N 3.48Å; H84-Q87 WeakPolarHBondContact O-CB 3.39Å; H84-Q87 PolarHBondContact O-N 3.02Å; H84-Q88 PolarHBondContact CD2-NE2 3.15Å; H84-Q88 PolarHBondContact CE1-NE2 3.15Å; H84-Q88 PolarHBondContact NE2-NE2 3.18Å; H84-Q88 WeakPolarHBondContact O-CG 3.46Å; H84-Q88 PolarHBondContact O-N 2.72Å; H84-Q88 VanDerWaalsContact O-N 3.11Å; H84-Q88 PolarHBondContact O-NE2 3.3Å; H84-Y196 HydrophobicContact CB-CD2 4.03Å
85	A	97.2	Very high	96.2	Very high	3 Å²	3	48.9 Å²	48.9	3%	0.025	27%	0.271	C	S	.	.	H	α-helix	trans	-60.1	-44.6	175.5	0	0	0	0	0	111.5	L11 V54 G81 T82 G83 Q88	L11-A85 HydrophobicContact CD1-CB 4.31Å; L11-A85 HydrophobicContact CD2-CB 3.72Å; V54-A85 HydrophobicContact CG1-CB 4.01Å; G81-A85 PolarHBondContact O-N 2.85Å; G81-A85 VanDerWaalsContact O-N 3.12Å; T82-A85 WeakPolarHBondContact O-CB 3.31Å; T82-A85 PolarHBondContact O-N 2.95Å; G83-A85 VanDerWaalsContact C-N 3.34Å; G83-A85 PolarHBondContact O-N 3.23Å; A85-Q88 WeakPolarHBondContact O-CB 3.45Å; A85-Q88 PolarHBondContact O-N 3.42Å
86	M	98.2	Very high	96.2	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65.3	-38.4	174.5	-72.7	-63.5	-69.3	0	0	112.4	V9 L11 T82 G83 H84 Q88 A89 A90 F93 I99 M101 M180 L184 I198	V9-M86 HydrophobicContact CB-CE 4.13Å; V9-M86 HydrophobicContact CB-SD 3.77Å; V9-M86 HydrophobicContact CG1-CE 4.42Å; V9-M86 HydrophobicContact CG1-SD 3.51Å; V9-M86 VanDerWaalsContact CG1-SD 3.51Å; V9-M86 HydrophobicContact CG2-CE 4.04Å; V9-M86 HydrophobicContact CG2-SD 4.2Å; L11-M86 HydrophobicContact CD2-SD 4.25Å; T82-M86 PolarHBondContact O-N 3.27Å; G83-M86 PolarHBondContact O-N 3.33Å; H84-M86 VanDerWaalsContact C-N 3.34Å; H84-M86 PolarHBondContact O-N 3.48Å; M86-Q88 PolarHBondContact O-N 3.25Å; M86-A89 PolarHBondContact O-N 3.31Å; M86-A89 VanDerWaalsContact O-N 3.09Å; M86-A90 PolarHBondContact O-N 3.24Å; M86-F93 HydrophobicContact CE-CE2 4.37Å; M86-F93 HydrophobicContact CE-CZ 4.07Å; M86-I99 HydrophobicContact CE-CG2 4.16Å; M86-M101 HydrophobicContact CE-CB 4.19Å; M86-M101 HydrophobicContact CE-CG 4.23Å; M86-M101 HydrophobicContact CE-SD 4.18Å; M86-M101 HydrophobicContact CG-CE 3.92Å; M86-M101 HydrophobicContact CG-SD 3.82Å; M86-M101 HydrophobicContact SD-CB 4.34Å; M86-M101 HydrophobicContact SD-CE 4.14Å; M86-M101 HydrophobicContact SD-CG 3.77Å; M86-M101 HydrophobicContact SD-SD 3.75Å; M86-M180 HydrophobicContact CE-CE 4.37Å; M86-M180 HydrophobicContact CE-SD 4.45Å; M86-L184 HydrophobicContact CB-CD1 3.92Å; M86-L184 HydrophobicContact CB-CD2 3.74Å; M86-I198 HydrophobicContact CB-CD1 4.21Å; M86-I198 HydrophobicContact CG-CD1 3.88Å; M86-I198 HydrophobicContact CG-CG1 4.43Å
87	Q	98.2	Very high	96.2	Very high	49 Å²	49	49.5 Å²	49.5	23%	0.229	28%	0.275	C	S	.	.	H	α-helix	trans	-59	-32.7	173.7	-74.3	169.8	-12.8	0	0	112.5	G83 H84 A89 A90 P91 L184	G83-Q87 WeakPolarHBondContact O-CG 3.27Å; G83-Q87 PolarHBondContact O-N 3.06Å; H84-Q87 WeakPolarHBondContact O-CB 3.39Å; H84-Q87 PolarHBondContact O-N 3.02Å; Q87-A89 VanDerWaalsContact C-N 3.32Å; Q87-A89 PolarHBondContact O-N 3.42Å; Q87-A90 WeakPolarHBondContact O-CB 3.4Å; Q87-A90 PolarHBondContact O-N 3.29Å; Q87-P91 WeakPolarHBondContact O-CD 3.41Å; Q87-L184 HydrophobicContact CG-CB 3.99Å; Q87-L184 HydrophobicContact CG-CD2 4.48Å; Q87-L184 PolarHBondContact NE2-O 3.23Å
88	Q	98.2	Very high	96.5	Very high	63 Å²	63	46 Å²	46	29%	0.294	25%	0.246	S	C	.	.	H	α-helix	trans	-68	-32.7	176.1	-57.2	-45.1	-68	0	0	112.5	V74 Q76 H84 A85 M86 P91	V74-Q88 VanDerWaalsContact CG1-C 3.46Å; V74-Q88 HydrophobicContact CG1-CB 3.56Å; V74-Q88 WeakPolarHBondContact CG1-O 3.38Å; Q76-Q88 HydrophobicContact CB-CG 4.37Å; Q76-Q88 HydrophobicContact CG-CG 4.45Å; H84-Q88 PolarHBondContact CD2-NE2 3.15Å; H84-Q88 PolarHBondContact CE1-NE2 3.15Å; H84-Q88 PolarHBondContact NE2-NE2 3.18Å; H84-Q88 WeakPolarHBondContact O-CG 3.46Å; H84-Q88 PolarHBondContact O-N 2.72Å; H84-Q88 VanDerWaalsContact O-N 3.11Å; H84-Q88 PolarHBondContact O-NE2 3.3Å; A85-Q88 WeakPolarHBondContact O-CB 3.45Å; A85-Q88 PolarHBondContact O-N 3.42Å; M86-Q88 PolarHBondContact O-N 3.25Å; Q88-P91 WeakPolarHBondContact O-CD 3.25Å
89	A	98.2	Very high	96.8	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-83.7	-23.7	177.3	0	0	0	0	0	112.3	V9 H52 V54 V74 M86 Q87 P91 F92 F93	V9-A89 HydrophobicContact CG1-CB 3.9Å; V9-A89 HydrophobicContact CG2-CB 4.05Å; H52-A89 HydrophobicContact CB-CB 4.27Å; V54-A89 HydrophobicContact CG2-CB 4.07Å; V74-A89 HydrophobicContact CG1-CB 4.35Å; V74-A89 HydrophobicContact CG2-CB 4.41Å; M86-A89 PolarHBondContact O-N 3.31Å; M86-A89 VanDerWaalsContact O-N 3.09Å; Q87-A89 VanDerWaalsContact C-N 3.32Å; Q87-A89 PolarHBondContact O-N 3.42Å; A89-P91 VanDerWaalsContact C-N 3.35Å; A89-F92 WeakPolarHBondContact O-CB 3.43Å; A89-F92 WeakPolarHBondContact O-CD2 3.25Å; A89-F92 PolarHBondContact O-N 2.75Å; A89-F93 VanDerWaalsContact C-CE1 3.4Å; A89-F93 HydrophobicContact CB-CE1 3.71Å; A89-F93 HydrophobicContact CB-CZ 3.84Å; A89-F93 WeakPolarHBondContact O-CD1 3.41Å; A89-F93 WeakPolarHBondContact O-CE1 3.42Å
90	A	98.2	Very high	97.2	Very high	12 Å²	12	35.1 Å²	35.1	10%	0.099	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-52.9	-35.5	-174.9	0	0	0	0	0	116.5	M86 Q87 F92 F93 K181 L184	M86-A90 PolarHBondContact O-N 3.24Å; Q87-A90 WeakPolarHBondContact O-CB 3.4Å; Q87-A90 PolarHBondContact O-N 3.29Å; A90-F92 PolarHBondContact O-N 2.74Å; A90-F92 VanDerWaalsContact O-N 3.11Å; A90-F93 VanDerWaalsContact CA-CE2 3.45Å; A90-F93 HydrophobicContact CB-CD2 4.12Å; A90-F93 HydrophobicContact CB-CE2 3.87Å; A90-F93 HydrophobicContact CB-CZ 4.32Å; A90-F93 PolarHBondContact O-N 2.69Å; A90-F93 VanDerWaalsContact O-N 3.13Å; A90-K181 HydrophobicContact CB-CG 4.19Å; A90-K181 WeakPolarHBondContact O-CD 3.45Å; A90-L184 HydrophobicContact CB-CD1 3.96Å
91	P	98	Very high	97.4	Very high	105 Å²	105	32.2 Å²	32.2	68%	0.682	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-59.2	-20.3	175.2	-27.1	36.4	0	0	0	114.6	Q87 Q88 A89	Q87-P91 WeakPolarHBondContact O-CD 3.41Å; Q88-P91 WeakPolarHBondContact O-CD 3.25Å; A89-P91 VanDerWaalsContact C-N 3.35Å
92	F	97.6	Very high	97.6	Very high	104 Å²	104	31.7 Å²	31.7	46%	0.456	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-91.8	-8.8	-179.5	-56.7	-73.7	0	0	0	113.6	N72 V74 A89 A90 A94	N72-F92 WeakPolarHBondContact ND2-CD1 3.1Å; N72-F92 WeakPolarHBondContact ND2-CD2 3.48Å; N72-F92 VanDerWaalsContact ND2-CG 3.34Å; N72-F92 WeakPolarHBondContact ND2-CG 3.45Å; V74-F92 HydrophobicContact CG2-CD2 4.1Å; V74-F92 HydrophobicContact CG2-CE2 3.9Å; A89-F92 WeakPolarHBondContact O-CB 3.43Å; A89-F92 WeakPolarHBondContact O-CD2 3.25Å; A89-F92 PolarHBondContact O-N 2.75Å; A90-F92 PolarHBondContact O-N 2.74Å; A90-F92 VanDerWaalsContact O-N 3.11Å; F92-A94 PolarHBondContact O-N 3.45Å
93	F	97.8	Very high	97.8	Very high	6 Å²	6	31.7 Å²	31.7	3%	0.026	17%	0.17	C	C	.	.			trans	-75	124.6	-176.8	-55.5	-12.5	0	0	0	110.4	V9 H52 M86 A89 A90 E97 I99 M180 K181 L184	V9-F93 HydrophobicContact CG2-CE1 3.48Å; V9-F93 VanDerWaalsContact CG2-CE1 3.48Å; V9-F93 HydrophobicContact CG2-CZ 3.63Å; H52-F93 AromaticContact CD2-CE1 3.92Å; M86-F93 HydrophobicContact CE-CE2 4.37Å; M86-F93 HydrophobicContact CE-CZ 4.07Å; A89-F93 VanDerWaalsContact C-CE1 3.4Å; A89-F93 HydrophobicContact CB-CE1 3.71Å; A89-F93 HydrophobicContact CB-CZ 3.84Å; A89-F93 WeakPolarHBondContact O-CD1 3.41Å; A89-F93 WeakPolarHBondContact O-CE1 3.42Å; A90-F93 VanDerWaalsContact CA-CE2 3.45Å; A90-F93 HydrophobicContact CB-CD2 4.12Å; A90-F93 HydrophobicContact CB-CE2 3.87Å; A90-F93 HydrophobicContact CB-CZ 4.32Å; A90-F93 PolarHBondContact O-N 2.69Å; A90-F93 VanDerWaalsContact O-N 3.13Å; F93-E97 WeakPolarHBondContact CA-OE1 3.41Å; F93-I99 HydrophobicContact CB-CD1 3.83Å; F93-I99 HydrophobicContact CB-CG1 4.08Å; F93-I99 HydrophobicContact CD1-CD1 3.58Å; F93-I99 HydrophobicContact CD1-CG1 4.09Å; F93-I99 HydrophobicContact CD1-CG2 4.44Å; F93-I99 HydrophobicContact CD2-CD1 4.23Å; F93-I99 HydrophobicContact CD2-CG1 3.83Å; F93-I99 HydrophobicContact CD2-CG2 4.41Å; F93-I99 HydrophobicContact CE1-CD1 4.23Å; F93-I99 HydrophobicContact CE1-CG2 4.1Å; F93-I99 HydrophobicContact CE2-CG1 4.31Å; F93-I99 HydrophobicContact CE2-CG2 4.05Å; F93-I99 HydrophobicContact CG-CD1 3.61Å; F93-I99 HydrophobicContact CG-CG1 3.73Å; F93-I99 HydrophobicContact CZ-CG2 3.91Å; F93-M180 HydrophobicContact CD2-CB 4.47Å; F93-M180 HydrophobicContact CD2-CG 4.27Å; F93-M180 HydrophobicContact CE2-CG 3.88Å; F93-K181 HydrophobicContact CB-CD 4.42Å; F93-K181 HydrophobicContact CD2-CG 4.23Å; F93-K181 PolarHBondContact O-NZ 3.11Å; F93-L184 HydrophobicContact CE2-CD1 4.22Å
94	A	97.2	Very high	97.8	Very high	36 Å²	36	31.7 Å²	31.7	30%	0.298	17%	0.17	S	C	.	.			trans	-66.3	144.1	165.8	0	0	0	0	0	110	F92 D96 E97 G177	F92-A94 PolarHBondContact O-N 3.45Å; A94-D96 PolarHBondContact O-N 3.12Å; A94-E97 HydrophobicContact CB-CB 4.15Å; A94-E97 HydrophobicContact CB-CG 3.83Å; A94-E97 PolarHBondContact N-OE1 3.31Å; A94-G177 WeakPolarHBondContact O-CA 3.46Å
95	D	97	Very high	97.8	Very high	98 Å²	98	31.3 Å²	31.3	52%	0.524	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-26.2	178.9	-79.3	-25.6	0	0	0	112	N176 A178 K181	D95-N176 PolarHBondContact O-ND2 2.9Å; D95-N176 PolarHBondContact O-OD1 3.29Å; D95-A178 HydrophobicContact CB-CB 3.93Å; D95-A178 WeakPolarHBondContact OD1-CB 3.25Å; D95-K181 WeakPolarHBondContact OD1-CE 3.38Å; D95-K181 IonicContact OD1-NZ 3.28Å; D95-K181 PolarHBondContact OD1-NZ 3.23Å
96	D	95.7	Very high	97.8	Very high	104 Å²	104	31.6 Å²	31.6	56%	0.556	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.6	24.9	-175.5	66.1	-28.8	0	0	0	113.2	N3 A94	N3-D96 WeakPolarHBondContact CB-O 3.48Å; N3-D96 VanDerWaalsContact ND2-C 3.27Å; N3-D96 WeakPolarHBondContact ND2-CA 3.37Å; N3-D96 PolarHBondContact ND2-O 2.95Å; A94-D96 PolarHBondContact O-N 3.12Å
97	E	96.8	Very high	97.8	Very high	9 Å²	9	31.9 Å²	31.9	4%	0.042	17%	0.171	C	C	.	.	S	Bend	trans	-115.4	165.6	168.8	76.9	-175.3	156	0	0	111.8	A5 S7 F93 A94 I99 N176 G177	A5-E97 HydrophobicContact CB-CB 3.97Å; S7-E97 VanDerWaalsContact CB-OE2 3.3Å; S7-E97 WeakPolarHBondContact CB-OE2 3.43Å; S7-E97 PolarHBondContact OG-OE2 3.44Å; F93-E97 WeakPolarHBondContact CA-OE1 3.41Å; A94-E97 HydrophobicContact CB-CB 4.15Å; A94-E97 HydrophobicContact CB-CG 3.83Å; A94-E97 PolarHBondContact N-OE1 3.31Å; E97-I99 HydrophobicContact CG-CD1 3.69Å; E97-I99 HydrophobicContact CG-CG1 4.46Å; E97-I99 WeakPolarHBondContact OE1-CD1 3.27Å; E97-N176 CarbonylContact O-C 3.48Å; E97-N176 WeakPolarHBondContact O-CA 3.49Å; E97-N176 PolarHBondContact O-ND2 2.65Å; E97-G177 PolarHBondContact O-N 3.12Å
98	D	98	Very high	97.8	Very high	6 Å²	6	30 Å²	30	3%	0.032	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	138.8	165.7	-74.3	-31	0	0	0	111	A5 M6 S7 K121 I174	A5-D98 PolarHBondContact O-N 2.87Å; M6-D98 CarbonylContact C-O 3.57Å; M6-D98 VanDerWaalsContact CA-O 3.22Å; M6-D98 WeakPolarHBondContact CA-O 3.19Å; M6-D98 HydrophobicContact CB-CB 4.4Å; M6-D98 HydrophobicContact CG-CB 4.28Å; S7-D98 PolarHBondContact N-O 3.28Å; D98-K121 VanDerWaalsContact CG-CE 3.4Å; D98-K121 WeakPolarHBondContact OD1-CE 3.41Å; D98-K121 IonicContact OD1-NZ 3.66Å; D98-K121 PolarHBondContact OD1-NZ 3.46Å; D98-K121 WeakPolarHBondContact OD2-CE 3.39Å; D98-K121 IonicContact OD2-NZ 2.79Å; D98-K121 PolarHBondContact OD2-NZ 3.01Å; D98-I174 HydrophobicContact CB-CD1 3.92Å; D98-I174 HydrophobicContact CB-CG1 4.06Å
99	I	98.5	Very high	97.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	110	178.1	-56.1	-60	0	0	0	108.7	S7 V9 M86 F93 E97 I174 A175	S7-I99 WeakPolarHBondContact O-CA 3.43Å; V9-I99 HydrophobicContact CG2-CG2 3.76Å; M86-I99 HydrophobicContact CE-CG2 4.16Å; F93-I99 HydrophobicContact CB-CD1 3.83Å; F93-I99 HydrophobicContact CB-CG1 4.08Å; F93-I99 HydrophobicContact CD1-CD1 3.58Å; F93-I99 HydrophobicContact CD1-CG1 4.09Å; F93-I99 HydrophobicContact CD1-CG2 4.44Å; F93-I99 HydrophobicContact CD2-CD1 4.23Å; F93-I99 HydrophobicContact CD2-CG1 3.83Å; F93-I99 HydrophobicContact CD2-CG2 4.41Å; F93-I99 HydrophobicContact CE1-CD1 4.23Å; F93-I99 HydrophobicContact CE1-CG2 4.1Å; F93-I99 HydrophobicContact CE2-CG1 4.31Å; F93-I99 HydrophobicContact CE2-CG2 4.05Å; F93-I99 HydrophobicContact CG-CD1 3.61Å; F93-I99 HydrophobicContact CG-CG1 3.73Å; F93-I99 HydrophobicContact CZ-CG2 3.91Å; E97-I99 HydrophobicContact CG-CD1 3.69Å; E97-I99 HydrophobicContact CG-CG1 4.46Å; E97-I99 WeakPolarHBondContact OE1-CD1 3.27Å; I99-I174 WeakPolarHBondContact O-CA 3.18Å; I99-A175 PolarHBondContact N-O 3.3Å; I99-A175 PolarHBondContact O-N 3.01Å
100	L	98.6	Very high	97.7	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	125.5	173.9	174.2	66.2	0	0	0	109.8	M6 S7 V8 V9 L46 L102 L114 L117 I172 I174	M6-L100 HydrophobicContact SD-CB 4.09Å; S7-L100 PolarHBondContact O-N 3.01Å; V8-L100 CarbonylContact C-O 3.6Å; V8-L100 VanDerWaalsContact CA-O 3.3Å; V8-L100 WeakPolarHBondContact CA-O 3.38Å; V8-L100 HydrophobicContact CG2-CB 4.22Å; V8-L100 HydrophobicContact CG2-CD2 4.2Å; V9-L100 PolarHBondContact N-O 3.33Å; L46-L100 HydrophobicContact CD2-CD2 3.57Å; L100-L102 HydrophobicContact CD1-CD2 4.26Å; L100-L102 HydrophobicContact CD2-CD1 4.32Å; L100-L102 HydrophobicContact CD2-CD2 4.21Å; L100-L102 HydrophobicContact CD2-CG 4.32Å; L100-L102 HydrophobicContact CG-CD2 4.08Å; L100-L102 HydrophobicContact CG-CG 4.15Å; L100-L114 HydrophobicContact CD1-CD2 4.29Å; L100-L114 HydrophobicContact CD2-CB 4.44Å; L100-L114 HydrophobicContact CD2-CD1 4.21Å; L100-L114 HydrophobicContact CD2-CD2 4.16Å; L100-L117 HydrophobicContact CD1-CD2 3.89Å; L100-I172 HydrophobicContact CD1-CG2 4.28Å; L100-I174 HydrophobicContact CB-CD1 4.27Å; L100-I174 HydrophobicContact CB-CG1 4.23Å; L100-I174 HydrophobicContact CD1-CB 4.06Å
101	M	98.6	Very high	97.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	124.4	179	-178.6	-179.7	175.1	0	0	110.9	L11 M86 Y103 I172 L173 I198	L11-M101 HydrophobicContact CD1-CE 3.28Å; L11-M101 HydrophobicContact CG-CE 3.85Å; M86-M101 HydrophobicContact CE-CB 4.19Å; M86-M101 HydrophobicContact CE-CG 4.23Å; M86-M101 HydrophobicContact CE-SD 4.18Å; M86-M101 HydrophobicContact CG-CE 3.92Å; M86-M101 HydrophobicContact CG-SD 3.82Å; M86-M101 HydrophobicContact SD-CB 4.34Å; M86-M101 HydrophobicContact SD-CE 4.14Å; M86-M101 HydrophobicContact SD-CG 3.77Å; M86-M101 HydrophobicContact SD-SD 3.75Å; M101-Y103 HydrophobicContact CE-CE2 4.25Å; M101-I172 WeakPolarHBondContact O-CA 3.47Å; M101-L173 HydrophobicContact CB-CD1 4.26Å; M101-L173 HydrophobicContact CB-CG 4.26Å; M101-L173 PolarHBondContact N-O 3.42Å; M101-L173 HydrophobicContact SD-CG 4.38Å; M101-I198 HydrophobicContact CE-CB 4.43Å; M101-I198 HydrophobicContact CE-CG1 4.05Å; M101-I198 HydrophobicContact CE-CG2 4.2Å; M101-I198 HydrophobicContact SD-CD1 4.29Å; M101-I198 HydrophobicContact SD-CG1 3.68Å
102	L	98.6	Very high	97.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	166.5	178.7	-58.3	-178.8	0	0	0	111.5	V8 V9 I10 L11 V39 L100 L114 I172	V8-L102 HydrophobicContact CG1-CB 4.43Å; V8-L102 HydrophobicContact CG1-CD1 3.66Å; V8-L102 HydrophobicContact CG1-CG 3.93Å; V9-L102 PolarHBondContact O-N 3.1Å; I10-L102 WeakPolarHBondContact CA-O 3.43Å; I10-L102 HydrophobicContact CG1-CB 4.34Å; L11-L102 PolarHBondContact N-O 3.29Å; V39-L102 HydrophobicContact CG1-CB 3.81Å; V39-L102 HydrophobicContact CG1-CD1 3.67Å; V39-L102 HydrophobicContact CG1-CG 4.38Å; L100-L102 HydrophobicContact CD1-CD2 4.26Å; L100-L102 HydrophobicContact CD2-CD1 4.32Å; L100-L102 HydrophobicContact CD2-CD2 4.21Å; L100-L102 HydrophobicContact CD2-CG 4.32Å; L100-L102 HydrophobicContact CG-CD2 4.08Å; L100-L102 HydrophobicContact CG-CG 4.15Å; L102-L114 HydrophobicContact CD1-CD1 4.16Å; L102-L114 HydrophobicContact CD2-CD1 4.23Å; L102-L114 HydrophobicContact CD2-CD2 3.74Å; L102-I172 HydrophobicContact CD2-CD1 4.29Å; L102-I172 HydrophobicContact CD2-CG1 4.15Å; L102-I172 HydrophobicContact CD2-CG2 3.8Å
103	Y	98	Very high	97.7	Very high	45 Å²	45	24.4 Å²	24.4	18%	0.176	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	130	178.1	-71.7	-98.6	0	0	0	110.2	L11 T82 M101 D105 V106 I172	L11-Y103 HydrophobicContact CB-CD1 4.33Å; L11-Y103 HydrophobicContact CD1-CE1 4.1Å; T82-Y103 HydrophobicContact CG2-CE1 4.39Å; M101-Y103 HydrophobicContact CE-CE2 4.25Å; Y103-D105 WeakPolarHBondContact CB-OD1 3.34Å; Y103-D105 PolarHBondContact O-N 3.14Å; Y103-D105 VanDerWaalsContact O-N 3.15Å; Y103-V106 PolarHBondContact O-N 3.27Å; Y103-I172 HydrophobicContact CD2-CG1 4.35Å
104	G	97.4	Very high	97.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-9.3	-176.9	0	0	0	0	0	114.8	L11 M35 V36	L11-G104 PolarHBondContact O-N 3.18Å; M35-G104 CarbonylContact C-O 3.59Å; V36-G104 PolarHBondContact N-O 3.46Å
105	D	97	Very high	97.8	Very high	16 Å²	16	25.8 Å²	25.8	9%	0.086	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	10.8	176.4	65.9	-42.4	0	0	0	114	K25 V26 M35 Y103 P107 G225 V226	K25-D105 VanDerWaalsContact CE-CB 3.44Å; K25-D105 WeakPolarHBondContact CE-OD2 3.45Å; K25-D105 IonicContact NZ-OD2 2.71Å; K25-D105 PolarHBondContact NZ-OD2 3.06Å; V26-D105 HydrophobicContact CG1-CB 4.28Å; M35-D105 HydrophobicContact CE-CB 4.49Å; Y103-D105 WeakPolarHBondContact CB-OD1 3.34Å; Y103-D105 PolarHBondContact O-N 3.14Å; Y103-D105 VanDerWaalsContact O-N 3.15Å; D105-P107 VanDerWaalsContact C-CD 3.41Å; D105-P107 VanDerWaalsContact O-CD 3.25Å; D105-P107 WeakPolarHBondContact O-CD 3.4Å; D105-G225 CarbonylContact O-C 3.57Å; D105-G225 WeakPolarHBondContact O-CA 3.49Å; D105-V226 PolarHBondContact O-N 3.17Å
106	V	98	Very high	97.8	Very high	9 Å²	9	25.2 Å²	25.2	6%	0.055	12%	0.121	C	C	.	.			trans	-114.2	73.7	174.1	-175.2	0	0	0	0	108.4	Y103 L108 E222	Y103-V106 PolarHBondContact O-N 3.27Å; V106-L108 VanDerWaalsContact C-N 3.33Å; V106-L108 PolarHBondContact O-N 3.4Å; V106-E222 WeakPolarHBondContact CG1-O 3.45Å
107	P	98	Very high	97.9	Very high	6 Å²	6	20.2 Å²	20.2	4%	0.039	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-13.7	-164.5	31.1	-38.1	0	0	0	115	L30 M35 H38 D105 L235	L30-P107 HydrophobicContact CD1-CB 4.39Å; L30-P107 HydrophobicContact CD1-CG 3.79Å; M35-P107 HydrophobicContact CB-CB 4Å; M35-P107 HydrophobicContact CB-CG 4.35Å; M35-P107 HydrophobicContact CG-CB 4.04Å; M35-P107 HydrophobicContact CG-CG 3.94Å; M35-P107 HydrophobicContact SD-CG 4.17Å; H38-P107 HydrophobicContact CB-CB 4.16Å; H38-P107 WeakPolarHBondContact CB-O 3.41Å; D105-P107 VanDerWaalsContact C-CD 3.41Å; D105-P107 VanDerWaalsContact O-CD 3.25Å; D105-P107 WeakPolarHBondContact O-CD 3.4Å; P107-L235 HydrophobicContact CG-CD1 3.98Å
108	L	98.3	Very high	97.9	Very high	11 Å²	11	21.8 Å²	21.8	6%	0.058	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	9.5	-171.4	-60	-167.7	0	0	0	114	L30 V106 S110 S221 E222 L235 V238 Y239	L30-L108 HydrophobicContact CD1-CD2 3.83Å; L30-L108 HydrophobicContact CD1-CG 4.34Å; L30-L108 HydrophobicContact CD2-CD2 4.08Å; V106-L108 VanDerWaalsContact C-N 3.33Å; V106-L108 PolarHBondContact O-N 3.4Å; L108-S110 PolarHBondContact O-N 3.21Å; L108-S221 WeakPolarHBondContact CB-O 3.45Å; L108-E222 WeakPolarHBondContact O-CA 3.17Å; L108-L235 HydrophobicContact CD1-CB 4.07Å; L108-L235 HydrophobicContact CD1-CD2 4.01Å; L108-L235 HydrophobicContact CD1-CG 4.46Å; L108-V238 HydrophobicContact CD1-CB 4.28Å; L108-V238 HydrophobicContact CD1-CG1 4.03Å; L108-Y239 HydrophobicContact CD2-CD2 3.46Å; L108-Y239 VanDerWaalsContact CD2-CD2 3.46Å; L108-Y239 HydrophobicContact CD2-CE2 4.22Å; L108-Y239 HydrophobicContact CD2-CG 4.08Å
109	I	98.1	Very high	97.8	Very high	10 Å²	10	26.8 Å²	26.8	5%	0.051	13%	0.127	C	C	.	.			trans	-61.6	122.5	177.1	-176.3	57.3	0	0	0	110.1	T113 L114 L129 I172 E222 V223	I109-T113 HydrophobicContact CD1-CG2 3.84Å; I109-L114 HydrophobicContact CD1-CD2 3.92Å; I109-L114 HydrophobicContact CD1-CG 4.19Å; I109-L114 HydrophobicContact CG1-CD1 3.91Å; I109-L114 HydrophobicContact CG1-CD2 3.55Å; I109-L114 HydrophobicContact CG1-CG 3.66Å; I109-L114 HydrophobicContact CG2-CD1 4.48Å; I109-L129 HydrophobicContact CD1-CD2 3.93Å; I109-I172 HydrophobicContact CD1-CD1 4.15Å; I109-I172 HydrophobicContact CG1-CD1 4.13Å; I109-E222 VanDerWaalsContact CA-O 3.24Å; I109-E222 WeakPolarHBondContact CA-O 3.3Å; I109-E222 WeakPolarHBondContact CB-O 3.26Å; I109-E222 PolarHBondContact N-O 3.12Å; I109-V223 HydrophobicContact CD1-CG1 4.5Å
110	S	97.2	Very high	97.7	Very high	13 Å²	13	28.3 Å²	28.3	9%	0.091	14%	0.139	C	C	.	.			trans	-85.2	145.8	-175.5	64.8	0	0	0	0	112.3	L108 E112 T113 L114 E222	L108-S110 PolarHBondContact O-N 3.21Å; S110-E112 WeakPolarHBondContact CB-OE2 3.37Å; S110-E112 PolarHBondContact O-N 2.83Å; S110-T113 PolarHBondContact O-N 2.97Å; S110-T113 VanDerWaalsContact OG-CB 3.27Å; S110-T113 WeakPolarHBondContact OG-CB 3.45Å; S110-T113 PolarHBondContact OG-N 3.29Å; S110-T113 PolarHBondContact OG-OG1 3.11Å; S110-T113 VanDerWaalsContact OG-OG1 3.1Å; S110-L114 WeakPolarHBondContact O-CG 3.35Å; S110-L114 PolarHBondContact O-N 2.86Å; S110-E222 VanDerWaalsContact CB-OE2 3.25Å; S110-E222 WeakPolarHBondContact CB-OE2 3.44Å; S110-E222 PolarHBondContact OG-OE1 2.88Å; S110-E222 PolarHBondContact OG-OE2 2.75Å
111	V	97.6	Very high	97.6	Very high	26 Å²	26	29.1 Å²	29.1	16%	0.158	14%	0.143	C	C	.	.	H	α-helix	trans	-60.3	-37.1	176.7	178.3	0	0	0	0	110.2	A42 E45 L46 T113 L114 Q115	A42-V111 HydrophobicContact CB-CG2 4.08Å; E45-V111 HydrophobicContact CB-CG2 4Å; E45-V111 HydrophobicContact CG-CG1 4.26Å; E45-V111 HydrophobicContact CG-CG2 4.07Å; L46-V111 HydrophobicContact CD1-CG1 4.07Å; V111-T113 PolarHBondContact O-N 3.17Å; V111-L114 PolarHBondContact O-N 3.46Å; V111-Q115 WeakPolarHBondContact O-CB 3.11Å; V111-Q115 PolarHBondContact O-N 2.83Å
112	E	97.5	Very high	97.5	Very high	117 Å²	117	30 Å²	30	55%	0.547	15%	0.149	S	C	.	.	H	α-helix	trans	-64.3	-39.2	177.5	-60.6	82.1	177.6	0	0	112.4	S110 R116	S110-E112 WeakPolarHBondContact CB-OE2 3.37Å; S110-E112 PolarHBondContact O-N 2.83Å; E112-R116 WeakPolarHBondContact O-CG 3.46Å; E112-R116 PolarHBondContact O-N 2.84Å; E112-R116 VanDerWaalsContact O-N 3.14Å
113	T	98.3	Very high	97.3	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-68	-41.6	174.9	-73.9	0	0	0	0	111.3	I109 S110 V111 R116 L117 L129 P217 E222	I109-T113 HydrophobicContact CD1-CG2 3.84Å; S110-T113 PolarHBondContact O-N 2.97Å; S110-T113 VanDerWaalsContact OG-CB 3.27Å; S110-T113 WeakPolarHBondContact OG-CB 3.45Å; S110-T113 PolarHBondContact OG-N 3.29Å; S110-T113 PolarHBondContact OG-OG1 3.11Å; S110-T113 VanDerWaalsContact OG-OG1 3.1Å; V111-T113 PolarHBondContact O-N 3.17Å; T113-R116 PolarHBondContact O-N 3.36Å; T113-R116 PolarHBondContact OG1-NH2 2.78Å; T113-L117 PolarHBondContact O-N 3.43Å; T113-L129 HydrophobicContact CG2-CD1 3.65Å; T113-L129 HydrophobicContact CG2-CD2 4.02Å; T113-P217 HydrophobicContact CG2-CB 4.31Å; T113-E222 WeakPolarHBondContact CB-OE1 3.24Å; T113-E222 PolarHBondContact OG1-OE1 2.95Å
114	L	98.2	Very high	97.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-66.9	-37.1	177.2	-64.2	178.6	0	0	0	112.6	L46 L100 L102 I109 S110 V111 L117 R118 I172	L46-L114 HydrophobicContact CD1-CB 4.25Å; L46-L114 HydrophobicContact CD2-CB 3.75Å; L46-L114 HydrophobicContact CD2-CD1 4.38Å; L100-L114 HydrophobicContact CD1-CD2 4.29Å; L100-L114 HydrophobicContact CD2-CB 4.44Å; L100-L114 HydrophobicContact CD2-CD1 4.21Å; L100-L114 HydrophobicContact CD2-CD2 4.16Å; L102-L114 HydrophobicContact CD1-CD1 4.16Å; L102-L114 HydrophobicContact CD2-CD1 4.23Å; L102-L114 HydrophobicContact CD2-CD2 3.74Å; I109-L114 HydrophobicContact CD1-CD2 3.92Å; I109-L114 HydrophobicContact CD1-CG 4.19Å; I109-L114 HydrophobicContact CG1-CD1 3.91Å; I109-L114 HydrophobicContact CG1-CD2 3.55Å; I109-L114 HydrophobicContact CG1-CG 3.66Å; I109-L114 HydrophobicContact CG2-CD1 4.48Å; S110-L114 WeakPolarHBondContact O-CG 3.35Å; S110-L114 PolarHBondContact O-N 2.86Å; V111-L114 PolarHBondContact O-N 3.46Å; L114-L117 WeakPolarHBondContact O-CB 3.37Å; L114-L117 PolarHBondContact O-N 3.08Å; L114-R118 PolarHBondContact O-N 3.16Å; L114-I172 HydrophobicContact CD2-CG2 4.06Å
115	Q	97.5	Very high	97.2	Very high	70 Å²	70	35.5 Å²	35.5	33%	0.327	18%	0.179	S	C	.	.	H	α-helix	trans	-63.1	-46.5	174.6	-173.3	60.3	56	0	0	111.1	L46 V111 L117 R118 D119	L46-Q115 HydrophobicContact CD1-CB 4.04Å; V111-Q115 WeakPolarHBondContact O-CB 3.11Å; V111-Q115 PolarHBondContact O-N 2.83Å; Q115-L117 VanDerWaalsContact C-N 3.27Å; Q115-L117 PolarHBondContact O-N 3.14Å; Q115-R118 WeakPolarHBondContact O-CB 3.19Å; Q115-R118 PolarHBondContact O-N 2.92Å; Q115-R118 VanDerWaalsContact O-N 3.16Å; Q115-D119 PolarHBondContact NE2-OD1 2.81Å; Q115-D119 PolarHBondContact O-N 3.29Å
116	R	97.6	Very high	97.2	Very high	86 Å²	86	34.8 Å²	34.8	33%	0.325	18%	0.175	S	C	.	.	H	α-helix	trans	-59.9	-38.2	174.6	-71.3	-178.1	-58.9	112.6	-3.2	112.4	E112 T113 D119 A120 V215 H216	E112-R116 WeakPolarHBondContact O-CG 3.46Å; E112-R116 PolarHBondContact O-N 2.84Å; E112-R116 VanDerWaalsContact O-N 3.14Å; T113-R116 PolarHBondContact O-N 3.36Å; T113-R116 PolarHBondContact OG1-NH2 2.78Å; R116-D119 PolarHBondContact O-N 3.27Å; R116-A120 VanDerWaalsContact O-CB 3.25Å; R116-A120 WeakPolarHBondContact O-CB 3.47Å; R116-A120 PolarHBondContact O-N 3.38Å; R116-V215 HydrophobicContact CB-CG1 4.27Å; R116-H216 PolarHBondContact NH1-O 3.39Å; R116-H216 PolarHBondContact NH2-O 3.25Å
117	L	98	Very high	97.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.3	-44.6	175.8	179.8	66.1	0	0	0	111.5	L100 T113 L114 Q115 A120 K121 G127 L129 I172 I174 V215	L100-L117 HydrophobicContact CD1-CD2 3.89Å; T113-L117 PolarHBondContact O-N 3.43Å; L114-L117 WeakPolarHBondContact O-CB 3.37Å; L114-L117 PolarHBondContact O-N 3.08Å; Q115-L117 VanDerWaalsContact C-N 3.27Å; Q115-L117 PolarHBondContact O-N 3.14Å; L117-A120 PolarHBondContact O-N 2.8Å; L117-K121 PolarHBondContact O-N 2.68Å; L117-G127 VanDerWaalsContact CD1-C 3.47Å; L117-L129 HydrophobicContact CD1-CB 4.37Å; L117-L129 HydrophobicContact CD2-CB 4.26Å; L117-I172 HydrophobicContact CD2-CG2 3.67Å; L117-I174 HydrophobicContact CD1-CG2 4.48Å; L117-I174 HydrophobicContact CD2-CG2 4.45Å; L117-I174 HydrophobicContact CG-CG2 3.92Å; L117-V215 HydrophobicContact CD1-CB 4.15Å; L117-V215 HydrophobicContact CD1-CG2 4.18Å
118	R	96.2	Very high	97.3	Very high	42 Å²	42	34 Å²	34	16%	0.158	17%	0.17	C	C	.	.	H	α-helix	trans	-61.1	-46.8	175.7	-177.8	178.4	-178	178.5	2.1	111.5	N4 L114 Q115 A120 K121 I174	N4-R118 PolarHBondContact O-NH2 3.47Å; L114-R118 PolarHBondContact O-N 3.16Å; Q115-R118 WeakPolarHBondContact O-CB 3.19Å; Q115-R118 PolarHBondContact O-N 2.92Å; Q115-R118 VanDerWaalsContact O-N 3.16Å; R118-A120 VanDerWaalsContact C-N 3.29Å; R118-A120 PolarHBondContact O-N 3.1Å; R118-K121 WeakPolarHBondContact O-CB 3.31Å; R118-K121 PolarHBondContact O-N 3.39Å; R118-I174 HydrophobicContact CB-CD1 4.01Å; R118-I174 HydrophobicContact CG-CD1 3.91Å
119	D	96.1	Very high	97.3	Very high	110 Å²	110	33.5 Å²	33.5	59%	0.588	17%	0.167	S	C	*	.	H	α-helix	trans	-66.3	-31.7	-178.5	-63.9	-19.4	0	0	0	112.6	Q115 R116 K121	Q115-D119 PolarHBondContact NE2-OD1 2.81Å; Q115-D119 PolarHBondContact O-N 3.29Å; R116-D119 PolarHBondContact O-N 3.27Å; D119-K121 VanDerWaalsContact C-N 3.33Å
120	A	96.8	Very high	97.3	Very high	32 Å²	32	33 Å²	33	26%	0.264	17%	0.165	S	C	.	.	H	α-helix	trans	-79.7	-12	180	0	0	0	0	0	114.1	R116 L117 R118 P122 V213 V215	R116-A120 VanDerWaalsContact O-CB 3.25Å; R116-A120 WeakPolarHBondContact O-CB 3.47Å; R116-A120 PolarHBondContact O-N 3.38Å; L117-A120 PolarHBondContact O-N 2.8Å; R118-A120 VanDerWaalsContact C-N 3.29Å; R118-A120 PolarHBondContact O-N 3.1Å; A120-P122 WeakPolarHBondContact O-CD 3.48Å; A120-V213 HydrophobicContact CB-CG1 4Å; A120-V213 WeakPolarHBondContact O-CB 3.21Å; A120-V215 HydrophobicContact CB-CG2 3.4Å
121	K	97.3	Very high	97.3	Very high	18 Å²	18	32.9 Å²	32.9	8%	0.078	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-68.6	119	-175.8	-178.7	-158.6	66.9	110	0	110.9	D98 L117 R118 D119 I174	D98-K121 VanDerWaalsContact CG-CE 3.4Å; D98-K121 WeakPolarHBondContact OD1-CE 3.41Å; D98-K121 IonicContact OD1-NZ 3.66Å; D98-K121 PolarHBondContact OD1-NZ 3.46Å; D98-K121 WeakPolarHBondContact OD2-CE 3.39Å; D98-K121 IonicContact OD2-NZ 2.79Å; D98-K121 PolarHBondContact OD2-NZ 3.01Å; L117-K121 PolarHBondContact O-N 2.68Å; R118-K121 WeakPolarHBondContact O-CB 3.31Å; R118-K121 PolarHBondContact O-N 3.39Å; D119-K121 VanDerWaalsContact C-N 3.33Å; K121-I174 HydrophobicContact CB-CG2 3.85Å; K121-I174 HydrophobicContact CD-CG1 4.14Å; K121-I174 HydrophobicContact CD-CG2 4.01Å; K121-I174 HydrophobicContact CG-CG2 4.03Å
122	P	96.5	Very high	97.3	Very high	20 Å²	20	38 Å²	38	13%	0.13	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-72	154.9	178.1	30.4	-34.6	0	0	0	111.7	A120 G124 G125 E211 V213	A120-P122 WeakPolarHBondContact O-CD 3.48Å; P122-G124 PolarHBondContact O-N 3.17Å; P122-G125 PolarHBondContact O-N 3.07Å; P122-G125 VanDerWaalsContact O-N 3.08Å; P122-E211 HydrophobicContact CB-CB 4.16Å; P122-E211 HydrophobicContact CG-CB 3.87Å; P122-E211 HydrophobicContact CG-CG 4.18Å; P122-E211 VanDerWaalsContact CG-O 3.26Å; P122-E211 WeakPolarHBondContact CG-O 3.49Å; P122-V213 HydrophobicContact CB-CG2 4.49Å; P122-V213 HydrophobicContact CG-CG2 3.93Å
123	Q	94.2	Very high	97.1	Very high	151 Å²	151	34 Å²	34	71%	0.706	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	122.2	176.1	-172.7	69.9	26.9	0	0	110.5	G125	Q123-G125 PolarHBondContact O-N 3.02Å
124	G	94.8	Very high	96.9	Very high	8 Å²	8	41.7 Å²	41.7	8%	0.082	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	9.2	-178.4	0	0	0	0	0	115.1	P122 D179 R210	P122-G124 PolarHBondContact O-N 3.17Å; G124-D179 WeakPolarHBondContact CA-OD2 3.47Å; G124-R210 WeakPolarHBondContact O-CB 3.39Å; G124-R210 VanDerWaalsContact O-CD 3.23Å; G124-R210 WeakPolarHBondContact O-CD 3.4Å; G124-R210 VanDerWaalsContact O-CG 3.24Å; G124-R210 WeakPolarHBondContact O-CG 3.3Å
125	G	97.3	Very high	96.6	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.01	24%	0.235	C	C	.	.	S	Bend	trans	-119.6	-158.3	176.6	0	0	0	0	0	112.8	P122 Q123 E211	P122-G125 PolarHBondContact O-N 3.07Å; P122-G125 VanDerWaalsContact O-N 3.08Å; Q123-G125 PolarHBondContact O-N 3.02Å; G125-E211 CarbonylContact C-O 3.51Å; G125-E211 VanDerWaalsContact CA-O 3.22Å; G125-E211 WeakPolarHBondContact CA-O 3.48Å
126	I	98.5	Very high	96.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	132.1	-170.6	-58.7	179.5	0	0	0	110.2	L128 L173 I174 A175 W183 I201 I202 A205 E211 I212 V213	I126-L128 HydrophobicContact CG2-CB 4.5Å; I126-L173 HydrophobicContact CG2-CB 4.23Å; I126-I174 WeakPolarHBondContact CA-O 3.2Å; I126-A175 HydrophobicContact CG1-CB 4.16Å; I126-W183 HydrophobicContact CD1-CE3 4.02Å; I126-W183 HydrophobicContact CD1-CH2 4.01Å; I126-W183 HydrophobicContact CD1-CZ3 3.55Å; I126-W183 HydrophobicContact CG1-CE3 4.43Å; I126-W183 HydrophobicContact CG1-CH2 3.71Å; I126-W183 HydrophobicContact CG1-CZ3 3.49Å; I126-W183 VanDerWaalsContact CG1-CZ3 3.49Å; I126-I201 HydrophobicContact CD1-CD1 4.29Å; I126-I201 HydrophobicContact CD1-CG1 4.04Å; I126-I202 HydrophobicContact CD1-CD1 3.75Å; I126-I202 HydrophobicContact CG2-CD1 4.01Å; I126-A205 HydrophobicContact CD1-CB 3.65Å; I126-A205 HydrophobicContact CG1-CB 4.24Å; I126-E211 PolarHBondContact N-O 3.32Å; I126-I212 HydrophobicContact CB-CG1 4.11Å; I126-I212 HydrophobicContact CB-CG2 4.23Å; I126-I212 HydrophobicContact CD1-CG1 4.47Å; I126-I212 HydrophobicContact CG2-CG2 4.42Å; I126-I212 CarbonylContact O-C 3.59Å; I126-I212 WeakPolarHBondContact O-CA 3.45Å; I126-V213 PolarHBondContact O-N 3.09Å
127	G	98.4	Very high	96.2	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	125.7	159.3	0	0	0	0	0	108.7	L117 L173 I174	L117-G127 VanDerWaalsContact CD1-C 3.47Å; G127-L173 CarbonylContact O-C 3.39Å; G127-L173 WeakPolarHBondContact O-CA 3.28Å; G127-L173 WeakPolarHBondContact O-CB 3.36Å; G127-I174 PolarHBondContact N-O 3.5Å; G127-I174 PolarHBondContact O-N 2.91Å
128	L	98.5	Very high	95.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	126.9	-177.8	179	65.9	0	0	0	110.4	I126 T130 I142 V149 I152 L173 I202 I212 V213 A214 V215	I126-L128 HydrophobicContact CG2-CB 4.5Å; L128-T130 HydrophobicContact CD2-CG2 3.86Å; L128-T130 HydrophobicContact CG-CG2 3.83Å; L128-I142 HydrophobicContact CD2-CD1 3.97Å; L128-V149 HydrophobicContact CD2-CG1 4.45Å; L128-I152 HydrophobicContact CD1-CD1 4.37Å; L128-I152 HydrophobicContact CD2-CD1 3.95Å; L128-I152 HydrophobicContact CD2-CG1 4.47Å; L128-L173 HydrophobicContact CD1-CB 3.97Å; L128-L173 HydrophobicContact CD1-CD2 4.46Å; L128-I202 HydrophobicContact CD1-CD1 4.46Å; L128-I202 HydrophobicContact CD2-CD1 4.44Å; L128-I212 HydrophobicContact CB-CG2 4.1Å; L128-I212 HydrophobicContact CD2-CG2 4.4Å; L128-V213 PolarHBondContact N-O 2.83Å; L128-A214 CarbonylContact O-C 3.56Å; L128-A214 VanDerWaalsContact O-CA 3.25Å; L128-A214 WeakPolarHBondContact O-CA 3.38Å; L128-V215 PolarHBondContact O-N 2.87Å
129	L	98.5	Very high	95.6	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	127.9	172.6	-167.5	69.7	0	0	0	109.5	I109 T113 L117 T170 I172 V215 V223	I109-L129 HydrophobicContact CD1-CD2 3.93Å; T113-L129 HydrophobicContact CG2-CD1 3.65Å; T113-L129 HydrophobicContact CG2-CD2 4.02Å; L117-L129 HydrophobicContact CD1-CB 4.37Å; L117-L129 HydrophobicContact CD2-CB 4.26Å; L129-T170 HydrophobicContact CG-CG2 4.32Å; L129-T170 PolarHBondContact O-N 3.21Å; L129-T170 PolarHBondContact O-OG1 3.42Å; L129-I172 HydrophobicContact CB-CB 4Å; L129-I172 HydrophobicContact CB-CG2 4.12Å; L129-I172 WeakPolarHBondContact CB-O 3.26Å; L129-I172 HydrophobicContact CD2-CB 4.07Å; L129-I172 HydrophobicContact CD2-CD1 3.98Å; L129-I172 HydrophobicContact CD2-CG2 4.11Å; L129-I172 PolarHBondContact N-O 3.31Å; L129-V215 WeakPolarHBondContact CA-O 3.45Å; L129-V215 HydrophobicContact CD1-CB 4.36Å; L129-V215 HydrophobicContact CD1-CG1 4.32Å; L129-V215 WeakPolarHBondContact CD1-O 3.43Å; L129-V223 HydrophobicContact CD2-CG1 3.48Å; L129-V223 VanDerWaalsContact CD2-CG1 3.48Å; L129-V223 HydrophobicContact CG-CG1 4.31Å
130	T	98.3	Very high	95.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	157	-175.8	61	0	0	0	0	109.3	L128 I142 E167 I168 A214 V215 H216 P217	L128-T130 HydrophobicContact CD2-CG2 3.86Å; L128-T130 HydrophobicContact CG-CG2 3.83Å; T130-I142 HydrophobicContact CG2-CD1 3.77Å; T130-I142 HydrophobicContact CG2-CG1 3.75Å; T130-E167 WeakPolarHBondContact CB-OE1 3.43Å; T130-E167 PolarHBondContact OG1-OE1 3.38Å; T130-E167 VanDerWaalsContact OG1-OE1 3.07Å; T130-I168 WeakPolarHBondContact CA-O 3.49Å; T130-A214 HydrophobicContact CG2-CB 3.97Å; T130-V215 PolarHBondContact N-O 3.09Å; T130-V215 PolarHBondContact OG1-O 2.9Å; T130-H216 WeakPolarHBondContact O-CA 3.47Å; T130-H216 PolarHBondContact O-ND1 3.27Å; T130-H216 PolarHBondContact OG1-CE1 2.68Å; T130-H216 PolarHBondContact OG1-ND1 3.36Å; T130-P217 WeakPolarHBondContact O-CD 3.44Å
131	V	97.3	Very high	95.6	Very high	10 Å²	10	43.3 Å²	43.3	6%	0.061	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	147.2	176.8	66.1	0	0	0	0	110.3	L133 E167 I168 T170 P217 L220 V223	V131-L133 HydrophobicContact CG1-CD2 4.25Å; V131-L133 HydrophobicContact CG1-CG 4.3Å; V131-L133 HydrophobicContact CG2-CD2 4.3Å; V131-E167 WeakPolarHBondContact O-CA 3.38Å; V131-I168 HydrophobicContact CG1-CD1 3.37Å; V131-I168 HydrophobicContact CG1-CG1 3.66Å; V131-I168 PolarHBondContact N-O 3.4Å; V131-I168 VanDerWaalsContact N-O 3.09Å; V131-I168 PolarHBondContact O-N 3.19Å; V131-T170 HydrophobicContact CB-CG2 4.34Å; V131-T170 HydrophobicContact CG1-CG2 3.99Å; V131-P217 HydrophobicContact CB-CG 4.18Å; V131-P217 HydrophobicContact CG2-CG 4.03Å; V131-L220 HydrophobicContact CG2-CD2 3.26Å; V131-V223 HydrophobicContact CB-CG2 4.33Å; V131-V223 HydrophobicContact CG1-CG2 4.09Å
132	K	96.5	Very high	95.7	Very high	134 Å²	134	42.6 Å²	42.6	58%	0.583	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.6	126.4	174	-67.1	-179	-178.8	179.3	0	109.1	Q166 E167	K132-Q166 WeakPolarHBondContact CA-O 3.38Å; K132-E167 HydrophobicContact CG-CB 4.12Å; K132-E167 HydrophobicContact CG-CG 4.26Å
133	L	94.1	Very high	95.7	Very high	33 Å²	33	43 Å²	43	17%	0.173	23%	0.23	C	C	.	.			trans	-117.8	145.1	177.9	-59.6	-177.7	0	0	0	110.2	V131 D135 Y139 Q166 I168 L220	V131-L133 HydrophobicContact CG1-CD2 4.25Å; V131-L133 HydrophobicContact CG1-CG 4.3Å; V131-L133 HydrophobicContact CG2-CD2 4.3Å; L133-D135 VanDerWaalsContact C-N 3.33Å; L133-Y139 HydrophobicContact CD1-CD2 4.08Å; L133-Y139 HydrophobicContact CD1-CE2 3.95Å; L133-Q166 PolarHBondContact N-O 2.6Å; L133-I168 HydrophobicContact CD1-CD1 4.34Å; L133-I168 HydrophobicContact CD1-CG1 3.77Å; L133-I168 HydrophobicContact CG-CG1 4Å; L133-L220 HydrophobicContact CD2-CD1 4.46Å; L133-L220 HydrophobicContact CD2-CD2 3.95Å
134	D	93.5	Very high	95.9	Very high	160 Å²	160	40.4 Å²	40.4	86%	0.856	21%	0.214	S	C	*	.	S	Bend	trans	-64.9	-40.3	172.3	-66.8	-29.1	0	0	0	111.1
135	D	93.3	Very high	95.9	Very high	110 Å²	110	45 Å²	45	59%	0.588	23%	0.233	S	C	*	.			trans	-115.9	98.8	170.8	-177.4	5.3	0	0	0	110.6	L133 T137	L133-D135 VanDerWaalsContact C-N 3.33Å; D135-T137 VanDerWaalsContact C-N 3.27Å; D135-T137 PolarHBondContact O-N 2.82Å; D135-T137 WeakPolarHBondContact OD1-CB 3.39Å; D135-T137 PolarHBondContact OD1-N 3.46Å; D135-T137 PolarHBondContact OD1-OG1 3.37Å
136	P	93.4	Very high	95.7	Very high	13 Å²	13	53.1 Å²	53.1	8%	0.084	28%	0.277	C	S	.	.			trans	-83.6	5.5	179.5	33.2	-35.6	0	0	0	113.3	G138 Y139 R141 I165 I168	P136-G138 PolarHBondContact O-N 2.91Å; P136-Y139 PolarHBondContact O-N 3.45Å; P136-R141 PolarHBondContact O-NH1 3.26Å; P136-R141 PolarHBondContact O-NH2 2.83Å; P136-R141 VanDerWaalsContact O-NH2 3.12Å; P136-I165 WeakPolarHBondContact CG-O 3.42Å; P136-I168 HydrophobicContact CB-CG2 3.45Å; P136-I168 VanDerWaalsContact CB-CG2 3.45Å
137	T	92.4	Very high	95.5	Very high	82 Å²	82	55.7 Å²	55.7	50%	0.503	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	130.9	-174.4	-61.1	0	0	0	0	112.7	D135 Y139	D135-T137 VanDerWaalsContact C-N 3.27Å; D135-T137 PolarHBondContact O-N 2.82Å; D135-T137 WeakPolarHBondContact OD1-CB 3.39Å; D135-T137 PolarHBondContact OD1-N 3.46Å; D135-T137 PolarHBondContact OD1-OG1 3.37Å; T137-Y139 WeakPolarHBondContact O-CD2 3.24Å; T137-Y139 PolarHBondContact O-N 2.92Å
138	G	90.5	Very high	95.4	Very high	49 Å²	49	62 Å²	62	51%	0.505	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.9	-15.2	178.4	0	0	0	0	0	116.6	P136 H155	P136-G138 PolarHBondContact O-N 2.91Å; G138-H155 PolarHBondContact N-ND1 2.61Å
139	Y	92.5	Very high	95.4	Very high	113 Å²	113	62 Å²	62	44%	0.443	33%	0.331	S	S	.	.	S	Bend	trans	-93.8	157	-178.5	-62.6	-86.2	0	0	0	114.2	L133 P136 T137 R141 I168	L133-Y139 HydrophobicContact CD1-CD2 4.08Å; L133-Y139 HydrophobicContact CD1-CE2 3.95Å; P136-Y139 PolarHBondContact O-N 3.45Å; T137-Y139 WeakPolarHBondContact O-CD2 3.24Å; T137-Y139 PolarHBondContact O-N 2.92Å; Y139-R141 PolarHBondContact O-NH1 3.22Å; Y139-I168 HydrophobicContact CD1-CD1 4.01Å; Y139-I168 HydrophobicContact CG-CB 4.41Å; Y139-I168 HydrophobicContact CG-CD1 4.17Å; Y139-I168 HydrophobicContact CG-CG1 4.27Å
140	G	94.7	Very high	95.3	Very high	5 Å²	5	62.9 Å²	62.9	5%	0.052	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-66.3	133.5	170.5	0	0	0	0	0	111.8	V153 I168 N169	G140-V153 CarbonylContact C-O 3.58Å; G140-V153 WeakPolarHBondContact CA-O 3.36Å; G140-I168 CarbonylContact O-C 3.57Å; G140-I168 WeakPolarHBondContact O-CA 3.33Å; G140-I168 WeakPolarHBondContact O-CB 3.37Å; G140-N169 PolarHBondContact O-N 3.43Å
141	R	97.7	Very high	95.3	Very high	3 Å²	3	63.1 Å²	63.1	1%	0.011	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	133.7	-176.2	-56.4	-62.6	-161.7	-93.3	9.7	111.3	P136 Y139 T143 I152 V153 H155 Q162 R163 I165	P136-R141 PolarHBondContact O-NH1 3.26Å; P136-R141 PolarHBondContact O-NH2 2.83Å; P136-R141 VanDerWaalsContact O-NH2 3.12Å; Y139-R141 PolarHBondContact O-NH1 3.22Å; R141-T143 PolarHBondContact O-N 3.11Å; R141-I152 VanDerWaalsContact O-CA 3.29Å; R141-I152 WeakPolarHBondContact O-CA 3.45Å; R141-V153 HydrophobicContact CB-CG1 3.78Å; R141-V153 HydrophobicContact CG-CG1 4.36Å; R141-V153 PolarHBondContact N-O 3.04Å; R141-V153 PolarHBondContact O-N 2.87Å; R141-H155 PolarHBondContact NH1-ND1 2.83Å; R141-Q162 WeakPolarHBondContact CG-O 3.37Å; R141-R163 PolarHBondContact NE-O 3.44Å; R141-R163 PolarHBondContact NH2-O 3.11Å; R141-I165 HydrophobicContact CB-CB 4.11Å; R141-I165 HydrophobicContact CB-CD1 4.29Å; R141-I165 HydrophobicContact CB-CG2 4.29Å; R141-I165 WeakPolarHBondContact CD-O 3.39Å; R141-I165 HydrophobicContact CG-CB 4.43Å; R141-I165 PolarHBondContact NE-O 3.32Å; R141-I165 VanDerWaalsContact NE-O 3.15Å
142	I	98.3	Very high	95.3	Very high	3 Å²	3	63.6 Å²	63.6	2%	0.015	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	112.9	176.5	-55	-53.1	0	0	0	109.8	L128 T130 R144 V149 I152 I165 E167 N169	L128-I142 HydrophobicContact CD2-CD1 3.97Å; T130-I142 HydrophobicContact CG2-CD1 3.77Å; T130-I142 HydrophobicContact CG2-CG1 3.75Å; I142-R144 HydrophobicContact CG2-CG 4.24Å; I142-V149 HydrophobicContact CG2-CG1 4.04Å; I142-V149 HydrophobicContact CG2-CG2 3.88Å; I142-I152 HydrophobicContact CD1-CD1 4.15Å; I142-I152 HydrophobicContact CD1-CG1 3.83Å; I142-I165 WeakPolarHBondContact O-CG2 3.46Å; I142-E167 HydrophobicContact CB-CB 4.23Å; I142-E167 HydrophobicContact CB-CG 3.98Å; I142-E167 HydrophobicContact CG1-CB 4.36Å; I142-E167 HydrophobicContact CG1-CG 3.78Å; I142-E167 PolarHBondContact N-O 3.28Å; I142-N169 HydrophobicContact CD1-CB 3.92Å
143	T	97.8	Very high	95.2	Very high	27 Å²	27	58.2 Å²	58.2	17%	0.166	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	138.4	175.3	56	0	0	0	0	110.5	R141 V149 T150 G151 V153 I165	R141-T143 PolarHBondContact O-N 3.11Å; T143-V149 WeakPolarHBondContact O-CA 3.31Å; T143-T150 PolarHBondContact O-N 2.86Å; T143-T150 PolarHBondContact O-OG1 3.07Å; T143-T150 PolarHBondContact OG1-OG1 3.07Å; T143-G151 PolarHBondContact N-O 2.93Å; T143-G151 VanDerWaalsContact N-O 3.09Å; T143-G151 VanDerWaalsContact OG1-C 3.22Å; T143-G151 WeakPolarHBondContact OG1-CA 3.48Å; T143-G151 PolarHBondContact OG1-N 3.35Å; T143-G151 PolarHBondContact OG1-O 3.35Å; T143-G151 VanDerWaalsContact OG1-O 3.07Å; T143-V153 HydrophobicContact CG2-CG1 4.01Å; T143-I165 HydrophobicContact CG2-CD1 4.3Å
144	R	97.4	Very high	95.2	Very high	98 Å²	98	58.8 Å²	58.8	37%	0.37	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	141.1	-178.3	-64.5	179.9	177.4	-87.7	-2.2	112.4	I142 G147 K148 V149 E167	I142-R144 HydrophobicContact CG2-CG 4.24Å; R144-G147 PolarHBondContact NH1-O 2.82Å; R144-K148 CarbonylContact C-O 3.5Å; R144-K148 WeakPolarHBondContact CA-O 3.42Å; R144-K148 WeakPolarHBondContact CB-O 3.2Å; R144-V149 HydrophobicContact CG-CG2 4.43Å; R144-E167 IonicContact CZ-OE1 3.36Å; R144-E167 IonicContact CZ-OE2 2.8Å; R144-E167 IonicContact NE-OE1 2.68Å; R144-E167 IonicContact NE-OE2 3.89Å; R144-E167 PolarHBondContact NE-OE2 3.2Å; R144-E167 VanDerWaalsContact NH2-CD 3.34Å; R144-E167 IonicContact NH2-OE1 3.47Å; R144-E167 PolarHBondContact NH2-OE1 2.99Å; R144-E167 IonicContact NH2-OE2 2.6Å; R144-E167 PolarHBondContact NH2-OE2 3.02Å
145	E	95.3	Very high	95.2	Very high	103 Å²	103	53.3 Å²	53.3	48%	0.481	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	124.4	168.6	-68.1	177.1	177.6	0	0	108.7	G147 K148 T150 Y206	E145-G147 PolarHBondContact O-N 3.35Å; E145-G147 VanDerWaalsContact O-N 3.1Å; E145-K148 PolarHBondContact N-O 2.94Å; E145-K148 PolarHBondContact O-N 3.37Å; E145-T150 HydrophobicContact CB-CG2 3.67Å; E145-T150 HydrophobicContact CG-CG2 3.67Å; E145-Y206 PolarHBondContact OE2-OH 2.61Å
146	N	93.9	Very high	95	Very high	172 Å²	172	54.3 Å²	54.3	92%	0.92	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	37.3	-177.4	-56.9	-49.8	0	0	0	113.5	K148	N146-K148 VanDerWaalsContact C-N 3.29Å; N146-K148 PolarHBondContact O-N 3.28Å
147	G	93.7	Very high	94.9	Very high	54 Å²	54	57 Å²	57	56%	0.557	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	-14.4	-178.8	0	0	0	0	0	115.6	R144 E145	R144-G147 PolarHBondContact NH1-O 2.82Å; E145-G147 PolarHBondContact O-N 3.35Å; E145-G147 VanDerWaalsContact O-N 3.1Å
148	K	96.1	Very high	94.9	Very high	132 Å²	132	53.4 Å²	53.4	57%	0.574	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.2	139.2	178.8	-61.2	-173.2	177.4	-172.9	0	111	R144 E145 N146 T150	R144-K148 CarbonylContact C-O 3.5Å; R144-K148 WeakPolarHBondContact CA-O 3.42Å; R144-K148 WeakPolarHBondContact CB-O 3.2Å; E145-K148 PolarHBondContact N-O 2.94Å; E145-K148 PolarHBondContact O-N 3.37Å; N146-K148 VanDerWaalsContact C-N 3.29Å; N146-K148 PolarHBondContact O-N 3.28Å; K148-T150 PolarHBondContact O-N 2.99Å
149	V	98	Very high	95.1	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.012	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	127.8	173	178.2	0	0	0	0	109	L128 I142 T143 R144 I202 I212 A214	L128-V149 HydrophobicContact CD2-CG1 4.45Å; I142-V149 HydrophobicContact CG2-CG1 4.04Å; I142-V149 HydrophobicContact CG2-CG2 3.88Å; T143-V149 WeakPolarHBondContact O-CA 3.31Å; R144-V149 HydrophobicContact CG-CG2 4.43Å; V149-I202 HydrophobicContact CG1-CG2 3.81Å; V149-I212 HydrophobicContact CB-CB 4.04Å; V149-I212 HydrophobicContact CB-CG2 3.95Å; V149-I212 HydrophobicContact CG1-CB 4.32Å; V149-I212 HydrophobicContact CG1-CG2 3.91Å; V149-A214 HydrophobicContact CG2-CB 4.15Å
150	T	97.4	Very high	95.3	Very high	18 Å²	18	54 Å²	54	11%	0.11	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	-20.2	-179.1	59.9	0	0	0	0	113.3	T143 E145 K148 Y206	T143-T150 PolarHBondContact O-N 2.86Å; T143-T150 PolarHBondContact O-OG1 3.07Å; T143-T150 PolarHBondContact OG1-OG1 3.07Å; E145-T150 HydrophobicContact CB-CG2 3.67Å; E145-T150 HydrophobicContact CG-CG2 3.67Å; K148-T150 PolarHBondContact O-N 2.99Å; T150-Y206 HydrophobicContact CG2-CD1 4.14Å; T150-Y206 HydrophobicContact CG2-CD2 4.13Å; T150-Y206 HydrophobicContact CG2-CE1 3.66Å; T150-Y206 HydrophobicContact CG2-CE2 3.69Å; T150-Y206 HydrophobicContact CG2-CG 4.35Å; T150-Y206 VanDerWaalsContact CG2-CZ 3.41Å
151	G	97.4	Very high	95.4	Very high	5 Å²	5	60.5 Å²	60.5	5%	0.052	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.6	-175.3	-179.4	0	0	0	0	0	112.2	T143	T143-G151 PolarHBondContact N-O 2.93Å; T143-G151 VanDerWaalsContact N-O 3.09Å; T143-G151 VanDerWaalsContact OG1-C 3.22Å; T143-G151 WeakPolarHBondContact OG1-CA 3.48Å; T143-G151 PolarHBondContact OG1-N 3.35Å; T143-G151 PolarHBondContact OG1-O 3.35Å; T143-G151 VanDerWaalsContact OG1-O 3.07Å
152	I	97.6	Very high	95.3	Very high	19 Å²	19	63.1 Å²	63.1	10%	0.097	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	131.5	171.3	-58.2	172.3	0	0	0	106.3	L128 R141 I142 N169 T199 I202	L128-I152 HydrophobicContact CD1-CD1 4.37Å; L128-I152 HydrophobicContact CD2-CD1 3.95Å; L128-I152 HydrophobicContact CD2-CG1 4.47Å; R141-I152 VanDerWaalsContact O-CA 3.29Å; R141-I152 WeakPolarHBondContact O-CA 3.45Å; I142-I152 HydrophobicContact CD1-CD1 4.15Å; I142-I152 HydrophobicContact CD1-CG1 3.83Å; I152-N169 HydrophobicContact CD1-CB 3.93Å; I152-N169 HydrophobicContact CG2-CB 3.89Å; I152-T199 HydrophobicContact CB-CG2 4.12Å; I152-T199 HydrophobicContact CD1-CG2 4Å; I152-T199 HydrophobicContact CG2-CG2 3.81Å; I152-I202 HydrophobicContact CD1-CB 4.48Å; I152-I202 HydrophobicContact CD1-CG1 3.59Å; I152-I202 HydrophobicContact CG1-CB 4.39Å; I152-I202 HydrophobicContact CG1-CG1 4.01Å; I152-I202 HydrophobicContact CG1-CG2 4.45Å
153	V	94.8	Very high	95.2	Very high	22 Å²	22	67 Å²	67	13%	0.133	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	122.4	174.4	61.6	0	0	0	0	110	G140 R141 T143 D157 A158 Q162	G140-V153 CarbonylContact C-O 3.58Å; G140-V153 WeakPolarHBondContact CA-O 3.36Å; R141-V153 HydrophobicContact CB-CG1 3.78Å; R141-V153 HydrophobicContact CG-CG1 4.36Å; R141-V153 PolarHBondContact N-O 3.04Å; R141-V153 PolarHBondContact O-N 2.87Å; T143-V153 HydrophobicContact CG2-CG1 4.01Å; V153-D157 HydrophobicContact CG2-CB 4.32Å; V153-A158 HydrophobicContact CG1-CB 4.1Å; V153-A158 HydrophobicContact CG2-CB 3.98Å; V153-Q162 HydrophobicContact CG1-CB 4.01Å; V153-Q162 HydrophobicContact CG1-CG 4.25Å
154	E	93.7	Very high	95.1	Very high	44 Å²	44	72.8 Å²	72.8	21%	0.206	36%	0.364	C	S	.	.			trans	-64.1	146	177.6	-71.5	-59	152.5	0	0	111.1	K156 D157 A158 Y197 T199	E154-K156 PolarHBondContact O-N 2.81Å; E154-D157 CarbonylContact O-C 3.47Å; E154-D157 PolarHBondContact O-N 2.74Å; E154-A158 WeakPolarHBondContact O-CB 3.44Å; E154-A158 PolarHBondContact O-N 3.33Å; E154-Y197 HydrophobicContact CG-CD2 4.08Å; E154-Y197 HydrophobicContact CG-CE2 4.02Å; E154-T199 VanDerWaalsContact OE1-CG2 3.27Å; E154-T199 WeakPolarHBondContact OE1-CG2 3.48Å
155	H	92.9	Very high	95.1	Very high	45 Å²	45	70.4 Å²	70.4	21%	0.208	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	-33.5	-173.1	-178	76.2	0	0	0	113.8	G138 R141 D157 R163	G138-H155 PolarHBondContact N-ND1 2.61Å; R141-H155 PolarHBondContact NH1-ND1 2.83Å; H155-D157 VanDerWaalsContact C-N 3.34Å; H155-R163 PolarHBondContact O-NE 3.18Å; H155-R163 PolarHBondContact O-NH2 3.05Å
156	K	90.3	Very high	95.2	Very high	131 Å²	131	70.5 Å²	70.5	57%	0.57	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-30.1	178.8	-68	-177.4	-178.7	171.8	0	112.9	E154 Q193	E154-K156 PolarHBondContact O-N 2.81Å; K156-Q193 HydrophobicContact CD-CG 4.35Å; K156-Q193 VanDerWaalsContact NZ-CD 3.35Å
157	D	90.9	Very high	95.4	Very high	71 Å²	71	63 Å²	63	38%	0.38	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-8.8	-177.7	-55.4	-52.8	0	0	0	112.2	V153 E154 H155	V153-D157 HydrophobicContact CG2-CB 4.32Å; E154-D157 CarbonylContact O-C 3.47Å; E154-D157 PolarHBondContact O-N 2.74Å; H155-D157 VanDerWaalsContact C-N 3.34Å
158	A	92.6	Very high	95.6	Very high	6 Å²	6	60.7 Å²	60.7	5%	0.05	29%	0.293	C	S	.	.			trans	-71.5	136.7	-179.1	0	0	0	0	0	113	V153 E154 Q162 R163	V153-A158 HydrophobicContact CG1-CB 4.1Å; V153-A158 HydrophobicContact CG2-CB 3.98Å; E154-A158 WeakPolarHBondContact O-CB 3.44Å; E154-A158 PolarHBondContact O-N 3.33Å; A158-Q162 HydrophobicContact CB-CB 3.97Å; A158-R163 HydrophobicContact CB-CG 3.85Å; A158-R163 PolarHBondContact O-NE 3.28Å
159	T	95.1	Very high	95.7	Very high	66 Å²	66	55.2 Å²	55.2	41%	0.405	27%	0.27	S	S	.	.			trans	-67.5	167.7	167.7	78.7	0	0	0	0	111.5	E161 Q162 R163	T159-E161 VanDerWaalsContact C-N 3.25Å; T159-E161 WeakPolarHBondContact CB-OE2 3.3Å; T159-E161 PolarHBondContact O-N 3.09Å; T159-E161 PolarHBondContact OG1-N 3.03Å; T159-E161 PolarHBondContact OG1-OE2 2.8Å; T159-Q162 PolarHBondContact O-N 3.3Å; T159-Q162 VanDerWaalsContact O-N 3.17Å; T159-Q162 PolarHBondContact OG1-N 2.92Å; T159-R163 VanDerWaalsContact O-CG 3.31Å; T159-R163 WeakPolarHBondContact O-CG 3.42Å; T159-R163 PolarHBondContact O-N 3.12Å
160	D	95.8	Very high	95.6	Very high	108 Å²	108	56.3 Å²	56.3	58%	0.578	28%	0.277	S	S	*	.	H	α-helix	trans	-62.5	-33.5	178.6	-70	-23.4	0	0	0	112.4	R163 Q164	D160-R163 IonicContact OD1-NH1 3.19Å; D160-R163 PolarHBondContact OD1-NH1 3.29Å; D160-Q164 WeakPolarHBondContact O-CG 3.5Å; D160-Q164 PolarHBondContact O-NE2 3.35Å
161	E	95.9	Very high	95.5	Very high	141 Å²	141	55.5 Å²	55.5	66%	0.659	27%	0.272	S	S	*	.	H	α-helix	trans	-68.1	-45.6	172.4	-58.1	75.2	-163.7	0	0	111.5	T159 R163 Q164	T159-E161 VanDerWaalsContact C-N 3.25Å; T159-E161 WeakPolarHBondContact CB-OE2 3.3Å; T159-E161 PolarHBondContact O-N 3.09Å; T159-E161 PolarHBondContact OG1-N 3.03Å; T159-E161 PolarHBondContact OG1-OE2 2.8Å; E161-R163 VanDerWaalsContact C-N 3.26Å; E161-R163 PolarHBondContact O-N 2.71Å; E161-Q164 WeakPolarHBondContact O-CB 3.38Å; E161-Q164 PolarHBondContact O-N 3.4Å; E161-Q164 VanDerWaalsContact O-N 3.14Å
162	Q	96.4	Very high	95.6	Very high	58 Å²	58	55.3 Å²	55.3	27%	0.271	27%	0.27	S	S	.	.	H	α-helix	trans	-64	-33.8	178.4	-71	172.6	-28	0	0	111.6	R141 V153 A158 T159 Q164 I165	R141-Q162 WeakPolarHBondContact CG-O 3.37Å; V153-Q162 HydrophobicContact CG1-CB 4.01Å; V153-Q162 HydrophobicContact CG1-CG 4.25Å; A158-Q162 HydrophobicContact CB-CB 3.97Å; T159-Q162 PolarHBondContact O-N 3.3Å; T159-Q162 VanDerWaalsContact O-N 3.17Å; T159-Q162 PolarHBondContact OG1-N 2.92Å; Q162-Q164 PolarHBondContact O-N 3Å; Q162-I165 VanDerWaalsContact O-CB 3.31Å; Q162-I165 WeakPolarHBondContact O-CB 3.41Å; Q162-I165 WeakPolarHBondContact O-CG1 3.22Å; Q162-I165 PolarHBondContact O-N 3.12Å
163	R	95.9	Very high	95.6	Very high	84 Å²	84	54.6 Å²	54.6	32%	0.317	27%	0.266	S	S	.	.	H	α-helix	trans	-62.7	-22.3	176.2	-76.1	171.6	178.2	163	1.7	113.6	R141 H155 A158 T159 D160 E161 I165	R141-R163 PolarHBondContact NE-O 3.44Å; R141-R163 PolarHBondContact NH2-O 3.11Å; H155-R163 PolarHBondContact O-NE 3.18Å; H155-R163 PolarHBondContact O-NH2 3.05Å; A158-R163 HydrophobicContact CB-CG 3.85Å; A158-R163 PolarHBondContact O-NE 3.28Å; T159-R163 VanDerWaalsContact O-CG 3.31Å; T159-R163 WeakPolarHBondContact O-CG 3.42Å; T159-R163 PolarHBondContact O-N 3.12Å; D160-R163 IonicContact OD1-NH1 3.19Å; D160-R163 PolarHBondContact OD1-NH1 3.29Å; E161-R163 VanDerWaalsContact C-N 3.26Å; E161-R163 PolarHBondContact O-N 2.71Å; R163-I165 VanDerWaalsContact C-N 3.27Å; R163-I165 PolarHBondContact O-N 3.35Å
164	Q	96.3	Very high	95.8	Very high	149 Å²	149	53.6 Å²	53.6	70%	0.696	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-12.5	174.9	-55.8	-52	-51.7	0	0	113.7	D160 E161 Q162 Q166	D160-Q164 WeakPolarHBondContact O-CG 3.5Å; D160-Q164 PolarHBondContact O-NE2 3.35Å; E161-Q164 WeakPolarHBondContact O-CB 3.38Å; E161-Q164 PolarHBondContact O-N 3.4Å; E161-Q164 VanDerWaalsContact O-N 3.14Å; Q162-Q164 PolarHBondContact O-N 3Å; Q164-Q166 PolarHBondContact O-N 2.9Å
165	I	97.4	Very high	96	Very high	48 Å²	48	51.5 Å²	51.5	25%	0.246	25%	0.25	C	C	.	.			trans	-66.2	122.3	177.3	-62.7	170.3	0	0	0	108.9	P136 R141 I142 T143 Q162 R163 E167	P136-I165 WeakPolarHBondContact CG-O 3.42Å; R141-I165 HydrophobicContact CB-CB 4.11Å; R141-I165 HydrophobicContact CB-CD1 4.29Å; R141-I165 HydrophobicContact CB-CG2 4.29Å; R141-I165 WeakPolarHBondContact CD-O 3.39Å; R141-I165 HydrophobicContact CG-CB 4.43Å; R141-I165 PolarHBondContact NE-O 3.32Å; R141-I165 VanDerWaalsContact NE-O 3.15Å; I142-I165 WeakPolarHBondContact O-CG2 3.46Å; T143-I165 HydrophobicContact CG2-CD1 4.3Å; Q162-I165 VanDerWaalsContact O-CB 3.31Å; Q162-I165 WeakPolarHBondContact O-CB 3.41Å; Q162-I165 WeakPolarHBondContact O-CG1 3.22Å; Q162-I165 PolarHBondContact O-N 3.12Å; R163-I165 VanDerWaalsContact C-N 3.27Å; R163-I165 PolarHBondContact O-N 3.35Å; I165-E167 HydrophobicContact CG2-CB 4.32Å; I165-E167 WeakPolarHBondContact CG2-O 3Å
166	Q	97.4	Very high	96.2	Very high	105 Å²	105	50.3 Å²	50.3	49%	0.491	25%	0.245	S	C	.	.			trans	-84.8	-19.5	180	-70.5	-177.3	-36	0	0	113.7	K132 L133 Q164	K132-Q166 WeakPolarHBondContact CA-O 3.38Å; L133-Q166 PolarHBondContact N-O 2.6Å; Q164-Q166 PolarHBondContact O-N 2.9Å
167	E	98.2	Very high	96.6	Very high	16 Å²	16	44.1 Å²	44.1	8%	0.075	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	121.4	176.6	-168.2	-176.3	-176.6	0	0	110.3	T130 V131 K132 I142 R144 I165 H216	T130-E167 WeakPolarHBondContact CB-OE1 3.43Å; T130-E167 PolarHBondContact OG1-OE1 3.38Å; T130-E167 VanDerWaalsContact OG1-OE1 3.07Å; V131-E167 WeakPolarHBondContact O-CA 3.38Å; K132-E167 HydrophobicContact CG-CB 4.12Å; K132-E167 HydrophobicContact CG-CG 4.26Å; I142-E167 HydrophobicContact CB-CB 4.23Å; I142-E167 HydrophobicContact CB-CG 3.98Å; I142-E167 HydrophobicContact CG1-CB 4.36Å; I142-E167 HydrophobicContact CG1-CG 3.78Å; I142-E167 PolarHBondContact N-O 3.28Å; R144-E167 IonicContact CZ-OE1 3.36Å; R144-E167 IonicContact CZ-OE2 2.8Å; R144-E167 IonicContact NE-OE1 2.68Å; R144-E167 IonicContact NE-OE2 3.89Å; R144-E167 PolarHBondContact NE-OE2 3.2Å; R144-E167 VanDerWaalsContact NH2-CD 3.34Å; R144-E167 IonicContact NH2-OE1 3.47Å; R144-E167 PolarHBondContact NH2-OE1 2.99Å; R144-E167 IonicContact NH2-OE2 2.6Å; R144-E167 PolarHBondContact NH2-OE2 3.02Å; I165-E167 HydrophobicContact CG2-CB 4.32Å; I165-E167 WeakPolarHBondContact CG2-O 3Å; E167-H216 IonicContact OE1-CE1 3.22Å; E167-H216 PolarHBondContact OE1-CE1 2.86Å
168	I	97.6	Very high	96.9	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	156	-174.5	70.3	82	0	0	0	112.2	T130 V131 L133 P136 Y139 G140	T130-I168 WeakPolarHBondContact CA-O 3.49Å; V131-I168 HydrophobicContact CG1-CD1 3.37Å; V131-I168 HydrophobicContact CG1-CG1 3.66Å; V131-I168 PolarHBondContact N-O 3.4Å; V131-I168 VanDerWaalsContact N-O 3.09Å; V131-I168 PolarHBondContact O-N 3.19Å; L133-I168 HydrophobicContact CD1-CD1 4.34Å; L133-I168 HydrophobicContact CD1-CG1 3.77Å; L133-I168 HydrophobicContact CG-CG1 4Å; P136-I168 HydrophobicContact CB-CG2 3.45Å; P136-I168 VanDerWaalsContact CB-CG2 3.45Å; Y139-I168 HydrophobicContact CD1-CD1 4.01Å; Y139-I168 HydrophobicContact CG-CB 4.41Å; Y139-I168 HydrophobicContact CG-CD1 4.17Å; Y139-I168 HydrophobicContact CG-CG1 4.27Å; G140-I168 CarbonylContact O-C 3.57Å; G140-I168 WeakPolarHBondContact O-CA 3.33Å; G140-I168 WeakPolarHBondContact O-CB 3.37Å
169	N	97.4	Very high	97.2	Very high	18 Å²	18	42.6 Å²	42.6	10%	0.096	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	128.3	173.1	177.6	36.5	0	0	0	111.1	G140 I142 I152 G171 T199	G140-N169 PolarHBondContact O-N 3.43Å; I142-N169 HydrophobicContact CD1-CB 3.92Å; I152-N169 HydrophobicContact CD1-CB 3.93Å; I152-N169 HydrophobicContact CG2-CB 3.89Å; N169-G171 VanDerWaalsContact CG-N 3.33Å; N169-G171 WeakPolarHBondContact OD1-CA 3.48Å; N169-G171 PolarHBondContact OD1-N 2.93Å; N169-T199 WeakPolarHBondContact ND2-CG2 3.36Å
170	T	96.7	Very high	97.3	Very high	24 Å²	24	39.4 Å²	39.4	15%	0.147	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-14.6	171.2	72.5	0	0	0	0	112.2	L129 V131 I172 V223	L129-T170 HydrophobicContact CG-CG2 4.32Å; L129-T170 PolarHBondContact O-N 3.21Å; L129-T170 PolarHBondContact O-OG1 3.42Å; V131-T170 HydrophobicContact CB-CG2 4.34Å; V131-T170 HydrophobicContact CG1-CG2 3.99Å; T170-I172 PolarHBondContact O-N 2.99Å; T170-I172 PolarHBondContact OG1-N 3.49Å; T170-V223 HydrophobicContact CG2-CB 3.83Å; T170-V223 HydrophobicContact CG2-CG1 3.93Å; T170-V223 HydrophobicContact CG2-CG2 3.96Å
171	G	95.5	Very high	97.4	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	84.1	-12.8	-173.4	0	0	0	0	0	113.9	N169	N169-G171 VanDerWaalsContact CG-N 3.33Å; N169-G171 WeakPolarHBondContact OD1-CA 3.48Å; N169-G171 PolarHBondContact OD1-N 2.93Å
172	I	98.5	Very high	97.5	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	123.3	179.8	-65.3	167.4	0	0	0	109.1	L100 M101 L102 Y103 I109 L114 L117 L129 T170	L100-I172 HydrophobicContact CD1-CG2 4.28Å; M101-I172 WeakPolarHBondContact O-CA 3.47Å; L102-I172 HydrophobicContact CD2-CD1 4.29Å; L102-I172 HydrophobicContact CD2-CG1 4.15Å; L102-I172 HydrophobicContact CD2-CG2 3.8Å; Y103-I172 HydrophobicContact CD2-CG1 4.35Å; I109-I172 HydrophobicContact CD1-CD1 4.15Å; I109-I172 HydrophobicContact CG1-CD1 4.13Å; L114-I172 HydrophobicContact CD2-CG2 4.06Å; L117-I172 HydrophobicContact CD2-CG2 3.67Å; L129-I172 HydrophobicContact CB-CB 4Å; L129-I172 HydrophobicContact CB-CG2 4.12Å; L129-I172 WeakPolarHBondContact CB-O 3.26Å; L129-I172 HydrophobicContact CD2-CB 4.07Å; L129-I172 HydrophobicContact CD2-CD1 3.98Å; L129-I172 HydrophobicContact CD2-CG2 4.11Å; L129-I172 PolarHBondContact N-O 3.31Å; T170-I172 PolarHBondContact O-N 2.99Å; T170-I172 PolarHBondContact OG1-N 3.49Å
173	L	98.5	Very high	97.6	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.016	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	161.5	-177.8	62.7	84.3	0	0	0	111.7	M101 I126 G127 L128 M180 I198 I201	M101-L173 HydrophobicContact CB-CD1 4.26Å; M101-L173 HydrophobicContact CB-CG 4.26Å; M101-L173 PolarHBondContact N-O 3.42Å; M101-L173 HydrophobicContact SD-CG 4.38Å; I126-L173 HydrophobicContact CG2-CB 4.23Å; G127-L173 CarbonylContact O-C 3.39Å; G127-L173 WeakPolarHBondContact O-CA 3.28Å; G127-L173 WeakPolarHBondContact O-CB 3.36Å; L128-L173 HydrophobicContact CD1-CB 3.97Å; L128-L173 HydrophobicContact CD1-CD2 4.46Å; L173-M180 HydrophobicContact CD1-CE 3.46Å; L173-M180 VanDerWaalsContact CD1-CE 3.46Å; L173-I198 HydrophobicContact CD2-CG1 4.41Å; L173-I201 HydrophobicContact CD1-CD1 4.04Å; L173-I201 HydrophobicContact CD2-CD1 3.85Å
174	I	98.5	Very high	97.7	Very high	1 Å²	1	28 Å²	28	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	134.5	176.2	-168.1	175	0	0	0	110.5	D98 I99 L100 L117 R118 K121 I126 G127	D98-I174 HydrophobicContact CB-CD1 3.92Å; D98-I174 HydrophobicContact CB-CG1 4.06Å; I99-I174 WeakPolarHBondContact O-CA 3.18Å; L100-I174 HydrophobicContact CB-CD1 4.27Å; L100-I174 HydrophobicContact CB-CG1 4.23Å; L100-I174 HydrophobicContact CD1-CB 4.06Å; L117-I174 HydrophobicContact CD1-CG2 4.48Å; L117-I174 HydrophobicContact CD2-CG2 4.45Å; L117-I174 HydrophobicContact CG-CG2 3.92Å; R118-I174 HydrophobicContact CB-CD1 4.01Å; R118-I174 HydrophobicContact CG-CD1 3.91Å; K121-I174 HydrophobicContact CB-CG2 3.85Å; K121-I174 HydrophobicContact CD-CG1 4.14Å; K121-I174 HydrophobicContact CD-CG2 4.01Å; K121-I174 HydrophobicContact CG-CG2 4.03Å; I126-I174 WeakPolarHBondContact CA-O 3.2Å; G127-I174 PolarHBondContact N-O 3.5Å; G127-I174 PolarHBondContact O-N 2.91Å
175	A	98.3	Very high	97.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	163.9	175.2	0	0	0	0	0	110.8	I99 I126 M180 W183	I99-A175 PolarHBondContact N-O 3.3Å; I99-A175 PolarHBondContact O-N 3.01Å; I126-A175 HydrophobicContact CG1-CB 4.16Å; A175-M180 HydrophobicContact CB-CE 3.71Å; A175-W183 HydrophobicContact CB-CZ3 3.83Å
176	N	97.7	Very high	97.8	Very high	21 Å²	21	27.3 Å²	27.3	11%	0.112	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	144	172.8	169.1	-101.8	0	0	0	111.3	D95 E97 A178 D179 M180	D95-N176 PolarHBondContact O-ND2 2.9Å; D95-N176 PolarHBondContact O-OD1 3.29Å; E97-N176 CarbonylContact O-C 3.48Å; E97-N176 WeakPolarHBondContact O-CA 3.49Å; E97-N176 PolarHBondContact O-ND2 2.65Å; N176-A178 PolarHBondContact O-N 3.18Å; N176-A178 WeakPolarHBondContact OD1-CB 3.47Å; N176-A178 PolarHBondContact OD1-N 3.48Å; N176-A178 VanDerWaalsContact OD1-N 3.08Å; N176-D179 HydrophobicContact CB-CB 4.45Å; N176-D179 PolarHBondContact O-N 3.15Å; N176-D179 PolarHBondContact OD1-N 3.02Å; N176-M180 WeakPolarHBondContact O-CB 3.25Å; N176-M180 PolarHBondContact O-N 3.38Å
177	G	97.9	Very high	97.8	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.4	-39.7	-176.8	0	0	0	0	0	114.8	A94 E97 K181	A94-G177 WeakPolarHBondContact O-CA 3.46Å; E97-G177 PolarHBondContact O-N 3.12Å; G177-K181 WeakPolarHBondContact O-CB 3.44Å; G177-K181 WeakPolarHBondContact O-CE 3.41Å; G177-K181 WeakPolarHBondContact O-CG 3.43Å; G177-K181 PolarHBondContact O-N 3.36Å
178	A	97.7	Very high	97.7	Very high	32 Å²	32	25.9 Å²	25.9	26%	0.264	14%	0.144	S	C	.	.	H	α-helix	trans	-66.7	-43.2	177.2	0	0	0	0	0	112	D95 N176 R182	D95-A178 HydrophobicContact CB-CB 3.93Å; D95-A178 WeakPolarHBondContact OD1-CB 3.25Å; N176-A178 PolarHBondContact O-N 3.18Å; N176-A178 WeakPolarHBondContact OD1-CB 3.47Å; N176-A178 PolarHBondContact OD1-N 3.48Å; N176-A178 VanDerWaalsContact OD1-N 3.08Å; A178-R182 PolarHBondContact O-N 3.48Å; A178-R182 VanDerWaalsContact O-N 3.11Å
179	D	98	Very high	97.5	Very high	13 Å²	13	29.2 Å²	29.2	7%	0.07	16%	0.162	C	C	.	.	H	α-helix	trans	-65.8	-44	177	-67.1	-44.3	0	0	0	111.4	G124 N176 K181 R182 W183	G124-D179 WeakPolarHBondContact CA-OD2 3.47Å; N176-D179 HydrophobicContact CB-CB 4.45Å; N176-D179 PolarHBondContact O-N 3.15Å; N176-D179 PolarHBondContact OD1-N 3.02Å; D179-K181 PolarHBondContact O-N 3.19Å; D179-R182 WeakPolarHBondContact O-CB 3.41Å; D179-R182 PolarHBondContact O-N 2.91Å; D179-R182 VanDerWaalsContact O-N 3.17Å; D179-R182 IonicContact OD1-CZ 3.2Å; D179-R182 IonicContact OD1-NH1 3.96Å; D179-R182 PolarHBondContact OD1-NH1 3.4Å; D179-R182 IonicContact OD1-NH2 3.43Å; D179-R182 PolarHBondContact OD1-NH2 2.88Å; D179-W183 HydrophobicContact CB-CE3 4.28Å; D179-W183 HydrophobicContact CB-CH2 3.61Å; D179-W183 HydrophobicContact CB-CZ2 3.86Å; D179-W183 HydrophobicContact CB-CZ3 3.82Å; D179-W183 VanDerWaalsContact O-CD2 3.26Å; D179-W183 PolarHBondContact O-N 3.27Å
180	M	98	Very high	97.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-57	-49.9	175.7	-171.2	69.2	79.8	0	0	111.2	M86 F93 L173 A175 N176 R182 W183 L184 I201	M86-M180 HydrophobicContact CE-CE 4.37Å; M86-M180 HydrophobicContact CE-SD 4.45Å; F93-M180 HydrophobicContact CD2-CB 4.47Å; F93-M180 HydrophobicContact CD2-CG 4.27Å; F93-M180 HydrophobicContact CE2-CG 3.88Å; L173-M180 HydrophobicContact CD1-CE 3.46Å; L173-M180 VanDerWaalsContact CD1-CE 3.46Å; A175-M180 HydrophobicContact CB-CE 3.71Å; N176-M180 WeakPolarHBondContact O-CB 3.25Å; N176-M180 PolarHBondContact O-N 3.38Å; M180-R182 VanDerWaalsContact C-N 3.31Å; M180-R182 PolarHBondContact O-N 3.29Å; M180-W183 PolarHBondContact O-N 3.3Å; M180-L184 HydrophobicContact CG-CD1 3.77Å; M180-L184 HydrophobicContact CG-CG 4.18Å; M180-L184 VanDerWaalsContact O-CB 3.31Å; M180-L184 WeakPolarHBondContact O-CB 3.35Å; M180-L184 WeakPolarHBondContact O-CG 3.5Å; M180-L184 PolarHBondContact O-N 3.38Å; M180-L184 HydrophobicContact SD-CD1 4.42Å; M180-L184 HydrophobicContact SD-CG 4.36Å; M180-I201 HydrophobicContact CE-CD1 4.43Å; M180-I201 HydrophobicContact SD-CD1 3.81Å
181	K	98.4	Very high	96.9	Very high	60 Å²	60	36.3 Å²	36.3	26%	0.261	20%	0.199	S	C	.	.	H	α-helix	trans	-56.2	-44.5	176.1	-78.3	-178.4	-68.3	-164.7	0	111.9	A90 F93 D95 G177 D179 A185	A90-K181 HydrophobicContact CB-CG 4.19Å; A90-K181 WeakPolarHBondContact O-CD 3.45Å; F93-K181 HydrophobicContact CB-CD 4.42Å; F93-K181 HydrophobicContact CD2-CG 4.23Å; F93-K181 PolarHBondContact O-NZ 3.11Å; D95-K181 WeakPolarHBondContact OD1-CE 3.38Å; D95-K181 IonicContact OD1-NZ 3.28Å; D95-K181 PolarHBondContact OD1-NZ 3.23Å; G177-K181 WeakPolarHBondContact O-CB 3.44Å; G177-K181 WeakPolarHBondContact O-CE 3.41Å; G177-K181 WeakPolarHBondContact O-CG 3.43Å; G177-K181 PolarHBondContact O-N 3.36Å; D179-K181 PolarHBondContact O-N 3.19Å; K181-A185 WeakPolarHBondContact O-CB 3.39Å; K181-A185 PolarHBondContact O-N 2.98Å; K181-A185 VanDerWaalsContact O-N 3.11Å
182	R	98	Very high	96.3	Very high	88 Å²	88	40 Å²	40	33%	0.332	23%	0.23	S	C	.	.	H	α-helix	trans	-62	-44.8	179.2	-177.6	173.1	72.1	-116.9	-0.8	112.3	A178 D179 M180 E208	A178-R182 PolarHBondContact O-N 3.48Å; A178-R182 VanDerWaalsContact O-N 3.11Å; D179-R182 WeakPolarHBondContact O-CB 3.41Å; D179-R182 PolarHBondContact O-N 2.91Å; D179-R182 VanDerWaalsContact O-N 3.17Å; D179-R182 IonicContact OD1-CZ 3.2Å; D179-R182 IonicContact OD1-NH1 3.96Å; D179-R182 PolarHBondContact OD1-NH1 3.4Å; D179-R182 IonicContact OD1-NH2 3.43Å; D179-R182 PolarHBondContact OD1-NH2 2.88Å; M180-R182 VanDerWaalsContact C-N 3.31Å; M180-R182 PolarHBondContact O-N 3.29Å; R182-E208 IonicContact CZ-OE2 2.66Å; R182-E208 VanDerWaalsContact CZ-OE2 3.28Å; R182-E208 IonicContact NE-OE1 2.65Å; R182-E208 PolarHBondContact NE-OE1 3.42Å; R182-E208 IonicContact NE-OE2 3.96Å; R182-E208 PolarHBondContact NE-OE2 2.78Å; R182-E208 IonicContact NH2-OE2 3.66Å; R182-E208 PolarHBondContact NH2-OE2 3.4Å
183	W	98.3	Very high	95.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-73.9	-41.2	179.7	-58.2	-40.1	0	0	0	112.4	I126 A175 D179 M180 A185 K186 L187 I201 L204 A205 E208 R210	I126-W183 HydrophobicContact CD1-CE3 4.02Å; I126-W183 HydrophobicContact CD1-CH2 4.01Å; I126-W183 HydrophobicContact CD1-CZ3 3.55Å; I126-W183 HydrophobicContact CG1-CE3 4.43Å; I126-W183 HydrophobicContact CG1-CH2 3.71Å; I126-W183 HydrophobicContact CG1-CZ3 3.49Å; I126-W183 VanDerWaalsContact CG1-CZ3 3.49Å; A175-W183 HydrophobicContact CB-CZ3 3.83Å; D179-W183 HydrophobicContact CB-CE3 4.28Å; D179-W183 HydrophobicContact CB-CH2 3.61Å; D179-W183 HydrophobicContact CB-CZ2 3.86Å; D179-W183 HydrophobicContact CB-CZ3 3.82Å; D179-W183 VanDerWaalsContact O-CD2 3.26Å; D179-W183 PolarHBondContact O-N 3.27Å; M180-W183 PolarHBondContact O-N 3.3Å; W183-A185 PolarHBondContact O-N 2.94Å; W183-K186 PolarHBondContact O-N 2.9Å; W183-L187 PolarHBondContact O-N 3.34Å; W183-I201 HydrophobicContact CB-CB 3.94Å; W183-I201 HydrophobicContact CB-CG2 3.95Å; W183-L204 HydrophobicContact CB-CB 4.45Å; W183-L204 HydrophobicContact CB-CD1 4.2Å; W183-L204 HydrophobicContact CG-CB 4.29Å; W183-L204 WeakPolarHBondContact O-CD1 3.49Å; W183-A205 HydrophobicContact CD2-CB 4.36Å; W183-A205 HydrophobicContact CH2-CB 3.91Å; W183-A205 HydrophobicContact CZ2-CB 3.58Å; W183-A205 HydrophobicContact CZ3-CB 4.43Å; W183-E208 PolarHBondContact NE1-OE2 2.89Å; W183-R210 HydrophobicContact CZ2-CG 4.18Å
184	L	98.3	Very high	95.5	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.01	26%	0.264	C	S	.	.	H	α-helix	trans	-57.2	-38.2	176	-73.2	176	0	0	0	112	M86 Q87 A90 F93 M180 K186 L187 I198 I201	M86-L184 HydrophobicContact CB-CD1 3.92Å; M86-L184 HydrophobicContact CB-CD2 3.74Å; Q87-L184 HydrophobicContact CG-CB 3.99Å; Q87-L184 HydrophobicContact CG-CD2 4.48Å; Q87-L184 PolarHBondContact NE2-O 3.23Å; A90-L184 HydrophobicContact CB-CD1 3.96Å; F93-L184 HydrophobicContact CE2-CD1 4.22Å; M180-L184 HydrophobicContact CG-CD1 3.77Å; M180-L184 HydrophobicContact CG-CG 4.18Å; M180-L184 VanDerWaalsContact O-CB 3.31Å; M180-L184 WeakPolarHBondContact O-CB 3.35Å; M180-L184 WeakPolarHBondContact O-CG 3.5Å; M180-L184 PolarHBondContact O-N 3.38Å; M180-L184 HydrophobicContact SD-CD1 4.42Å; M180-L184 HydrophobicContact SD-CG 4.36Å; L184-K186 PolarHBondContact O-N 3.11Å; L184-L187 HydrophobicContact CD2-CD1 3.78Å; L184-L187 WeakPolarHBondContact O-CB 3.3Å; L184-L187 PolarHBondContact O-N 2.9Å; L184-I198 HydrophobicContact CD2-CD1 3.67Å; L184-I201 HydrophobicContact CD2-CG2 4.4Å
185	A	97.8	Very high	95.2	Very high	83 Å²	83	48.4 Å²	48.4	69%	0.686	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-19.4	177.8	0	0	0	0	0	114.2	K181 W183	K181-A185 WeakPolarHBondContact O-CB 3.39Å; K181-A185 PolarHBondContact O-N 2.98Å; K181-A185 VanDerWaalsContact O-N 3.11Å; W183-A185 PolarHBondContact O-N 2.94Å
186	K	97.6	Very high	95.1	Very high	101 Å²	101	51.2 Å²	51.2	44%	0.439	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-6.6	178.8	-67.5	176.8	-180	-178.6	0	113.1	W183 L184 L204 E208	W183-K186 PolarHBondContact O-N 2.9Å; L184-K186 PolarHBondContact O-N 3.11Å; K186-L204 HydrophobicContact CB-CD1 3.79Å; K186-L204 HydrophobicContact CB-CD2 4.14Å; K186-L204 HydrophobicContact CD-CD2 4.16Å; K186-E208 IonicContact NZ-OE1 3.48Å; K186-E208 PolarHBondContact NZ-OE1 3.27Å
187	L	97.2	Very high	95	Very high	12 Å²	12	51 Å²	51	6%	0.063	29%	0.287	C	S	.	.			trans	-61.7	141.2	178.9	-66.1	-176.2	0	0	0	110.5	W183 L184 Y196 Y197 D200 I201 L204	W183-L187 PolarHBondContact O-N 3.34Å; L184-L187 HydrophobicContact CD2-CD1 3.78Å; L184-L187 WeakPolarHBondContact O-CB 3.3Å; L184-L187 PolarHBondContact O-N 2.9Å; L187-Y196 HydrophobicContact CB-CD1 3.88Å; L187-Y196 WeakPolarHBondContact O-CE1 3.48Å; L187-Y197 WeakPolarHBondContact CD2-O 3.32Å; L187-D200 HydrophobicContact CD2-CB 3.6Å; L187-I201 HydrophobicContact CD1-CG2 4.34Å; L187-I201 HydrophobicContact CD2-CG2 3.9Å; L187-I201 HydrophobicContact CG-CG2 4.37Å; L187-L204 HydrophobicContact CD2-CD1 4.11Å
188	T	95.7	Very high	94.9	Very high	78 Å²	78	51.1 Å²	51.1	48%	0.479	29%	0.288	S	S	.	.			trans	-118.6	165.2	172.4	76.7	0	0	0	0	109
189	N	93.4	Very high	94.8	Very high	75 Å²	75	49.9 Å²	49.9	40%	0.401	28%	0.277	S	S	.	.			trans	-108.1	21.6	174	67.3	-21.4	0	0	0	112.2	N191 G194 E195 Y196	N189-N191 VanDerWaalsContact C-N 3.26Å; N189-N191 PolarHBondContact O-N 2.88Å; N189-G194 WeakPolarHBondContact O-CA 3.4Å; N189-E195 WeakPolarHBondContact CA-O 3.35Å; N189-Y196 HydrophobicContact CB-CD1 4.31Å; N189-Y196 HydrophobicContact CB-CD2 4.26Å; N189-Y196 HydrophobicContact CB-CE1 4.18Å; N189-Y196 HydrophobicContact CB-CE2 4.12Å; N189-Y196 HydrophobicContact CB-CG 4.36Å
190	N	91.8	Very high	94.7	Very high	152 Å²	152	51.7 Å²	51.7	81%	0.813	29%	0.287	S	S	*	.			trans	-83.6	67.6	-179.8	-172.4	30.3	0	0	0	111.3
191	N	88.8	Confident	94.7	Very high	38 Å²	38	51.7 Å²	51.7	20%	0.203	29%	0.287	C	S	.	.	S	Bend	trans	-140	176	175.3	55.5	57.9	0	0	0	110.1	N189 Q193 G194 E195 Y197	N189-N191 VanDerWaalsContact C-N 3.26Å; N189-N191 PolarHBondContact O-N 2.88Å; N191-Q193 PolarHBondContact O-N 3.5Å; N191-Q193 PolarHBondContact OD1-N 2.92Å; N191-Q193 VanDerWaalsContact OD1-N 3.07Å; N191-G194 PolarHBondContact O-N 3.3Å; N191-G194 PolarHBondContact OD1-N 3.23Å; N191-E195 PolarHBondContact ND2-O 3.09Å; N191-E195 PolarHBondContact OD1-N 3.4Å; N191-Y197 HydrophobicContact CB-CD2 4.31Å; N191-Y197 HydrophobicContact CB-CE2 3.65Å; N191-Y197 WeakPolarHBondContact ND2-CD2 3.45Å; N191-Y197 WeakPolarHBondContact ND2-CE2 3.47Å; N191-Y197 PolarHBondContact OD1-OH 3.1Å; N191-Y197 VanDerWaalsContact OD1-OH 3.1Å
192	A	84.7	Confident	94.7	Very high	80 Å²	80	48.9 Å²	48.9	66%	0.661	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-17.5	-175.8	0	0	0	0	0	114.6
193	Q	86.6	Confident	94.7	Very high	80 Å²	80	46.2 Å²	46.2	37%	0.374	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-10.8	-179.4	-57.1	-176.8	88.3	0	0	113.7	K156 N191 E195 Y197	K156-Q193 HydrophobicContact CD-CG 4.35Å; K156-Q193 VanDerWaalsContact NZ-CD 3.35Å; N191-Q193 PolarHBondContact O-N 3.5Å; N191-Q193 PolarHBondContact OD1-N 2.92Å; N191-Q193 VanDerWaalsContact OD1-N 3.07Å; Q193-E195 VanDerWaalsContact C-N 3.27Å; Q193-E195 HydrophobicContact CB-CG 4.32Å; Q193-E195 PolarHBondContact O-N 2.87Å; Q193-Y197 HydrophobicContact CB-CE1 4.36Å; Q193-Y197 WeakPolarHBondContact CB-OH 3.49Å; Q193-Y197 VanDerWaalsContact CD-OH 3.28Å; Q193-Y197 WeakPolarHBondContact CG-OH 3.45Å; Q193-Y197 PolarHBondContact NE2-OH 2.99Å
194	G	92.5	Very high	94.6	Very high	36 Å²	36	47.4 Å²	47.4	37%	0.371	28%	0.278	S	S	.	.			trans	69.4	24.4	-177.7	0	0	0	0	0	113.7	N189 N191	N189-G194 WeakPolarHBondContact O-CA 3.4Å; N191-G194 PolarHBondContact O-N 3.3Å; N191-G194 PolarHBondContact OD1-N 3.23Å
195	E	93.3	Very high	94.6	Very high	66 Å²	66	47.3 Å²	47.3	31%	0.308	28%	0.277	S	S	.	.	S	Bend	trans	-114.6	153.6	-174.8	-72.1	-177.8	-177.4	0	0	111.5	N189 N191 Q193 Y197	N189-E195 WeakPolarHBondContact CA-O 3.35Å; N191-E195 PolarHBondContact ND2-O 3.09Å; N191-E195 PolarHBondContact OD1-N 3.4Å; Q193-E195 VanDerWaalsContact C-N 3.27Å; Q193-E195 HydrophobicContact CB-CG 4.32Å; Q193-E195 PolarHBondContact O-N 2.87Å; E195-Y197 HydrophobicContact CB-CD1 4.24Å; E195-Y197 HydrophobicContact CB-CE1 3.94Å; E195-Y197 PolarHBondContact O-N 3.2Å
196	Y	96.1	Very high	94.6	Very high	59 Å²	59	47.4 Å²	47.4	23%	0.231	26%	0.26	C	S	.	.			trans	-80	107.8	170.9	-63.3	-87.7	0	0	0	109.4	L80 G83 H84 L187 N189	L80-Y196 HydrophobicContact CB-CD2 4.19Å; L80-Y196 HydrophobicContact CB-CE2 4.46Å; L80-Y196 WeakPolarHBondContact O-CD2 3.46Å; L80-Y196 PolarHBondContact O-N 2.99Å; G83-Y196 VanDerWaalsContact CA-O 3.31Å; G83-Y196 WeakPolarHBondContact CA-O 3.43Å; G83-Y196 PolarHBondContact N-O 3.18Å; H84-Y196 HydrophobicContact CB-CD2 4.03Å; L187-Y196 HydrophobicContact CB-CD1 3.88Å; L187-Y196 WeakPolarHBondContact O-CE1 3.48Å; N189-Y196 HydrophobicContact CB-CD1 4.31Å; N189-Y196 HydrophobicContact CB-CD2 4.26Å; N189-Y196 HydrophobicContact CB-CE1 4.18Å; N189-Y196 HydrophobicContact CB-CE2 4.12Å; N189-Y196 HydrophobicContact CB-CG 4.36Å
197	Y	94.2	Very high	94.6	Very high	15 Å²	15	49.7 Å²	49.7	6%	0.059	27%	0.273	C	S	.	.			trans	-81.2	123.6	178.8	-64.6	-24.3	0	0	0	111.3	E154 L187 N191 Q193 E195 T199 D200	E154-Y197 HydrophobicContact CG-CD2 4.08Å; E154-Y197 HydrophobicContact CG-CE2 4.02Å; L187-Y197 WeakPolarHBondContact CD2-O 3.32Å; N191-Y197 HydrophobicContact CB-CD2 4.31Å; N191-Y197 HydrophobicContact CB-CE2 3.65Å; N191-Y197 WeakPolarHBondContact ND2-CD2 3.45Å; N191-Y197 WeakPolarHBondContact ND2-CE2 3.47Å; N191-Y197 PolarHBondContact OD1-OH 3.1Å; N191-Y197 VanDerWaalsContact OD1-OH 3.1Å; Q193-Y197 HydrophobicContact CB-CE1 4.36Å; Q193-Y197 WeakPolarHBondContact CB-OH 3.49Å; Q193-Y197 VanDerWaalsContact CD-OH 3.28Å; Q193-Y197 WeakPolarHBondContact CG-OH 3.45Å; Q193-Y197 PolarHBondContact NE2-OH 2.99Å; E195-Y197 HydrophobicContact CB-CD1 4.24Å; E195-Y197 HydrophobicContact CB-CE1 3.94Å; E195-Y197 PolarHBondContact O-N 3.2Å; Y197-T199 WeakPolarHBondContact CB-OG1 3.48Å; Y197-T199 PolarHBondContact O-N 3.02Å; Y197-D200 PolarHBondContact O-N 3.45Å
198	I	96.6	Very high	94.5	Very high	4 Å²	4	52 Å²	52	2%	0.021	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-26.8	173	-170.5	58.5	0	0	0	112.2	T82 M86 M101 L173 L184 D200 I201	T82-I198 WeakPolarHBondContact OG1-CG2 3.42Å; T82-I198 PolarHBondContact OG1-N 3.44Å; M86-I198 HydrophobicContact CB-CD1 4.21Å; M86-I198 HydrophobicContact CG-CD1 3.88Å; M86-I198 HydrophobicContact CG-CG1 4.43Å; M101-I198 HydrophobicContact CE-CB 4.43Å; M101-I198 HydrophobicContact CE-CG1 4.05Å; M101-I198 HydrophobicContact CE-CG2 4.2Å; M101-I198 HydrophobicContact SD-CD1 4.29Å; M101-I198 HydrophobicContact SD-CG1 3.68Å; L173-I198 HydrophobicContact CD2-CG1 4.41Å; L184-I198 HydrophobicContact CD2-CD1 3.67Å; I198-D200 PolarHBondContact O-N 3.48Å; I198-I201 HydrophobicContact CD1-CD1 3.9Å; I198-I201 HydrophobicContact CD1-CG2 4.09Å; I198-I201 HydrophobicContact CG1-CD1 4.33Å; I198-I201 VanDerWaalsContact O-CG1 3.25Å; I198-I201 WeakPolarHBondContact O-CG1 3.25Å; I198-I201 WeakPolarHBondContact O-CG2 3.4Å; I198-I201 PolarHBondContact O-N 2.98Å
199	T	95.6	Very high	94.6	Very high	5 Å²	5	51.6 Å²	51.6	3%	0.031	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-26.3	-180	49	0	0	0	0	113.7	I152 E154 N169 Y197 I201 I202	I152-T199 HydrophobicContact CB-CG2 4.12Å; I152-T199 HydrophobicContact CD1-CG2 4Å; I152-T199 HydrophobicContact CG2-CG2 3.81Å; E154-T199 VanDerWaalsContact OE1-CG2 3.27Å; E154-T199 WeakPolarHBondContact OE1-CG2 3.48Å; N169-T199 WeakPolarHBondContact ND2-CG2 3.36Å; Y197-T199 WeakPolarHBondContact CB-OG1 3.48Å; Y197-T199 PolarHBondContact O-N 3.02Å; T199-I201 PolarHBondContact O-N 2.98Å; T199-I202 WeakPolarHBondContact O-CB 3.4Å; T199-I202 WeakPolarHBondContact O-CG1 3.37Å; T199-I202 PolarHBondContact O-N 3.2Å; T199-I202 VanDerWaalsContact O-N 3.11Å
200	D	96.3	Very high	94.8	Very high	52 Å²	52	53 Å²	53	28%	0.278	29%	0.294	S	S	.	.	H	α-helix	trans	-67.5	-19.8	-178.6	-67.2	-8	0	0	0	112	L187 Y197 I198 I202 A203 L204	L187-D200 HydrophobicContact CD2-CB 3.6Å; Y197-D200 PolarHBondContact O-N 3.45Å; I198-D200 PolarHBondContact O-N 3.48Å; D200-I202 PolarHBondContact O-N 3.45Å; D200-A203 PolarHBondContact O-N 3.06Å; D200-L204 WeakPolarHBondContact O-CG 3.18Å; D200-L204 PolarHBondContact O-N 2.74Å
201	I	97.8	Very high	95.1	Very high	0 Å²	0	51 Å²	51	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62	-26.9	174.3	79.8	-178.4	0	0	0	112	I126 L173 M180 W183 L184 L187 I198 T199 L204 A205	I126-I201 HydrophobicContact CD1-CD1 4.29Å; I126-I201 HydrophobicContact CD1-CG1 4.04Å; L173-I201 HydrophobicContact CD1-CD1 4.04Å; L173-I201 HydrophobicContact CD2-CD1 3.85Å; M180-I201 HydrophobicContact CE-CD1 4.43Å; M180-I201 HydrophobicContact SD-CD1 3.81Å; W183-I201 HydrophobicContact CB-CB 3.94Å; W183-I201 HydrophobicContact CB-CG2 3.95Å; L184-I201 HydrophobicContact CD2-CG2 4.4Å; L187-I201 HydrophobicContact CD1-CG2 4.34Å; L187-I201 HydrophobicContact CD2-CG2 3.9Å; L187-I201 HydrophobicContact CG-CG2 4.37Å; I198-I201 HydrophobicContact CD1-CD1 3.9Å; I198-I201 HydrophobicContact CD1-CG2 4.09Å; I198-I201 HydrophobicContact CG1-CD1 4.33Å; I198-I201 VanDerWaalsContact O-CG1 3.25Å; I198-I201 WeakPolarHBondContact O-CG1 3.25Å; I198-I201 WeakPolarHBondContact O-CG2 3.4Å; I198-I201 PolarHBondContact O-N 2.98Å; T199-I201 PolarHBondContact O-N 2.98Å; I201-L204 PolarHBondContact O-N 3.13Å; I201-A205 VanDerWaalsContact O-CB 3.31Å; I201-A205 WeakPolarHBondContact O-CB 3.43Å; I201-A205 PolarHBondContact O-N 3.11Å
202	I	98.2	Very high	95.5	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-66.2	-45.6	178.5	-54.8	-52.3	0	0	0	110	I126 L128 V149 I152 T199 D200 A205 Y206 I212	I126-I202 HydrophobicContact CD1-CD1 3.75Å; I126-I202 HydrophobicContact CG2-CD1 4.01Å; L128-I202 HydrophobicContact CD1-CD1 4.46Å; L128-I202 HydrophobicContact CD2-CD1 4.44Å; V149-I202 HydrophobicContact CG1-CG2 3.81Å; I152-I202 HydrophobicContact CD1-CB 4.48Å; I152-I202 HydrophobicContact CD1-CG1 3.59Å; I152-I202 HydrophobicContact CG1-CB 4.39Å; I152-I202 HydrophobicContact CG1-CG1 4.01Å; I152-I202 HydrophobicContact CG1-CG2 4.45Å; T199-I202 WeakPolarHBondContact O-CB 3.4Å; T199-I202 WeakPolarHBondContact O-CG1 3.37Å; T199-I202 PolarHBondContact O-N 3.2Å; T199-I202 VanDerWaalsContact O-N 3.11Å; D200-I202 PolarHBondContact O-N 3.45Å; I202-A205 PolarHBondContact O-N 3.39Å; I202-Y206 PolarHBondContact O-N 3.15Å; I202-I212 HydrophobicContact CG2-CD1 4.47Å; I202-I212 HydrophobicContact CG2-CG1 4.19Å; I202-I212 HydrophobicContact CG2-CG2 4.27Å
203	A	96.9	Very high	96.2	Very high	32 Å²	32	47.8 Å²	47.8	26%	0.264	25%	0.253	S	S	.	.	H	α-helix	trans	-66.4	-39.8	176	0	0	0	0	0	111.4	D200 Y206 Q207	D200-A203 PolarHBondContact O-N 3.06Å; A203-Y206 PolarHBondContact O-N 3.39Å; A203-Q207 WeakPolarHBondContact O-CB 3.46Å; A203-Q207 WeakPolarHBondContact O-CG 3.49Å; A203-Q207 PolarHBondContact O-N 2.89Å
204	L	97.5	Very high	96.7	Very high	26 Å²	26	45.2 Å²	45.2	14%	0.136	25%	0.245	C	C	.	.	H	α-helix	trans	-62.8	-42.9	175.9	-68.3	170.1	0	0	0	112.2	W183 K186 L187 D200 I201 Q207 E208	W183-L204 HydrophobicContact CB-CB 4.45Å; W183-L204 HydrophobicContact CB-CD1 4.2Å; W183-L204 HydrophobicContact CG-CB 4.29Å; W183-L204 WeakPolarHBondContact O-CD1 3.49Å; K186-L204 HydrophobicContact CB-CD1 3.79Å; K186-L204 HydrophobicContact CB-CD2 4.14Å; K186-L204 HydrophobicContact CD-CD2 4.16Å; L187-L204 HydrophobicContact CD2-CD1 4.11Å; D200-L204 WeakPolarHBondContact O-CG 3.18Å; D200-L204 PolarHBondContact O-N 2.74Å; I201-L204 PolarHBondContact O-N 3.13Å; L204-Q207 PolarHBondContact O-N 3.4Å; L204-E208 WeakPolarHBondContact O-CG 3.46Å; L204-E208 PolarHBondContact O-N 3.43Å; L204-E208 VanDerWaalsContact O-N 3.1Å
205	A	97.9	Very high	97	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.3	-44.3	175.7	0	0	0	0	0	111.4	I126 W183 I201 I202 E208 G209 R210 I212	I126-A205 HydrophobicContact CD1-CB 3.65Å; I126-A205 HydrophobicContact CG1-CB 4.24Å; W183-A205 HydrophobicContact CD2-CB 4.36Å; W183-A205 HydrophobicContact CH2-CB 3.91Å; W183-A205 HydrophobicContact CZ2-CB 3.58Å; W183-A205 HydrophobicContact CZ3-CB 4.43Å; I201-A205 VanDerWaalsContact O-CB 3.31Å; I201-A205 WeakPolarHBondContact O-CB 3.43Å; I201-A205 PolarHBondContact O-N 3.11Å; I202-A205 PolarHBondContact O-N 3.39Å; A205-E208 PolarHBondContact O-N 3.27Å; A205-G209 PolarHBondContact O-N 3.3Å; A205-R210 HydrophobicContact CB-CB 4.28Å; A205-R210 VanDerWaalsContact O-CB 3.31Å; A205-R210 WeakPolarHBondContact O-CB 3.23Å; A205-R210 PolarHBondContact O-N 3.45Å; A205-I212 HydrophobicContact CB-CD1 4.15Å; A205-I212 HydrophobicContact CB-CG1 4.35Å
206	Y	97.7	Very high	97.2	Very high	85 Å²	85	44.7 Å²	44.7	33%	0.333	23%	0.234	S	C	.	.	H	α-helix	trans	-61.4	-44.3	176.1	-179.1	-115.1	0	0	0	112.2	E145 T150 I202 A203 E208 G209	E145-Y206 PolarHBondContact OE2-OH 2.61Å; T150-Y206 HydrophobicContact CG2-CD1 4.14Å; T150-Y206 HydrophobicContact CG2-CD2 4.13Å; T150-Y206 HydrophobicContact CG2-CE1 3.66Å; T150-Y206 HydrophobicContact CG2-CE2 3.69Å; T150-Y206 HydrophobicContact CG2-CG 4.35Å; T150-Y206 VanDerWaalsContact CG2-CZ 3.41Å; I202-Y206 PolarHBondContact O-N 3.15Å; A203-Y206 PolarHBondContact O-N 3.39Å; Y206-E208 PolarHBondContact O-N 2.97Å; Y206-G209 WeakPolarHBondContact O-CA 3.36Å; Y206-G209 PolarHBondContact O-N 2.89Å
207	Q	96.6	Very high	97.2	Very high	149 Å²	149	42.7 Å²	42.7	70%	0.696	23%	0.228	S	C	*	.	H	α-helix	trans	-62.3	-29.4	176.5	-73.5	168.8	10.4	0	0	113	A203 L204 G209	A203-Q207 WeakPolarHBondContact O-CB 3.46Å; A203-Q207 WeakPolarHBondContact O-CG 3.49Å; A203-Q207 PolarHBondContact O-N 2.89Å; L204-Q207 PolarHBondContact O-N 3.4Å; Q207-G209 PolarHBondContact O-N 2.79Å
208	E	96.8	Very high	97.3	Very high	59 Å²	59	48 Å²	48	28%	0.276	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	4.6	172.4	-71.4	-177.6	179.5	0	0	113.4	R182 W183 K186 L204 A205 Y206 R210	R182-E208 IonicContact CZ-OE2 2.66Å; R182-E208 VanDerWaalsContact CZ-OE2 3.28Å; R182-E208 IonicContact NE-OE1 2.65Å; R182-E208 PolarHBondContact NE-OE1 3.42Å; R182-E208 IonicContact NE-OE2 3.96Å; R182-E208 PolarHBondContact NE-OE2 2.78Å; R182-E208 IonicContact NH2-OE2 3.66Å; R182-E208 PolarHBondContact NH2-OE2 3.4Å; W183-E208 PolarHBondContact NE1-OE2 2.89Å; K186-E208 IonicContact NZ-OE1 3.48Å; K186-E208 PolarHBondContact NZ-OE1 3.27Å; L204-E208 WeakPolarHBondContact O-CG 3.46Å; L204-E208 PolarHBondContact O-N 3.43Å; L204-E208 VanDerWaalsContact O-N 3.1Å; A205-E208 PolarHBondContact O-N 3.27Å; Y206-E208 PolarHBondContact O-N 2.97Å; E208-R210 VanDerWaalsContact C-N 3.27Å; E208-R210 HydrophobicContact CB-CG 4.11Å; E208-R210 PolarHBondContact O-N 3.5Å
209	G	97	Very high	97.2	Very high	70 Å²	70	52 Å²	52	72%	0.722	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.8	19.3	-178.6	0	0	0	0	0	113.8	A205 Y206 Q207	A205-G209 PolarHBondContact O-N 3.3Å; Y206-G209 WeakPolarHBondContact O-CA 3.36Å; Y206-G209 PolarHBondContact O-N 2.89Å; Q207-G209 PolarHBondContact O-N 2.79Å
210	R	97.5	Very high	97.2	Very high	105 Å²	105	56 Å²	56	40%	0.396	29%	0.289	S	S	.	.			trans	-85.4	148.1	176.8	-53.5	-55.6	-171.2	168.9	1.4	110.6	G124 W183 A205 E208	G124-R210 WeakPolarHBondContact O-CB 3.39Å; G124-R210 VanDerWaalsContact O-CD 3.23Å; G124-R210 WeakPolarHBondContact O-CD 3.4Å; G124-R210 VanDerWaalsContact O-CG 3.24Å; G124-R210 WeakPolarHBondContact O-CG 3.3Å; W183-R210 HydrophobicContact CZ2-CG 4.18Å; A205-R210 HydrophobicContact CB-CB 4.28Å; A205-R210 VanDerWaalsContact O-CB 3.31Å; A205-R210 WeakPolarHBondContact O-CB 3.23Å; A205-R210 PolarHBondContact O-N 3.45Å; E208-R210 VanDerWaalsContact C-N 3.27Å; E208-R210 HydrophobicContact CB-CG 4.11Å; E208-R210 PolarHBondContact O-N 3.5Å
211	E	97.7	Very high	97.2	Very high	109 Å²	109	54.1 Å²	54.1	51%	0.509	28%	0.28	S	S	.	.			trans	-84.5	140	179.6	-173.5	171	-148.8	0	0	111.1	P122 G125 I126 V213	P122-E211 HydrophobicContact CB-CB 4.16Å; P122-E211 HydrophobicContact CG-CB 3.87Å; P122-E211 HydrophobicContact CG-CG 4.18Å; P122-E211 VanDerWaalsContact CG-O 3.26Å; P122-E211 WeakPolarHBondContact CG-O 3.49Å; G125-E211 CarbonylContact C-O 3.51Å; G125-E211 VanDerWaalsContact CA-O 3.22Å; G125-E211 WeakPolarHBondContact CA-O 3.48Å; I126-E211 PolarHBondContact N-O 3.32Å; E211-V213 HydrophobicContact CG-CG2 4Å
212	I	98.5	Very high	97.1	Very high	11 Å²	11	54.1 Å²	54.1	6%	0.056	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	115.1	172.7	-58	95.1	0	0	0	107.8	I126 L128 V149 I202 A205	I126-I212 HydrophobicContact CB-CG1 4.11Å; I126-I212 HydrophobicContact CB-CG2 4.23Å; I126-I212 HydrophobicContact CD1-CG1 4.47Å; I126-I212 HydrophobicContact CG2-CG2 4.42Å; I126-I212 CarbonylContact O-C 3.59Å; I126-I212 WeakPolarHBondContact O-CA 3.45Å; L128-I212 HydrophobicContact CB-CG2 4.1Å; L128-I212 HydrophobicContact CD2-CG2 4.4Å; V149-I212 HydrophobicContact CB-CB 4.04Å; V149-I212 HydrophobicContact CB-CG2 3.95Å; V149-I212 HydrophobicContact CG1-CB 4.32Å; V149-I212 HydrophobicContact CG1-CG2 3.91Å; I202-I212 HydrophobicContact CG2-CD1 4.47Å; I202-I212 HydrophobicContact CG2-CG1 4.19Å; I202-I212 HydrophobicContact CG2-CG2 4.27Å; A205-I212 HydrophobicContact CB-CD1 4.15Å; A205-I212 HydrophobicContact CB-CG1 4.35Å
213	V	98.2	Very high	97	Very high	41 Å²	41	55.1 Å²	55.1	25%	0.248	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	120.3	-178.2	179.3	0	0	0	0	109.3	A120 P122 I126 L128 E211	A120-V213 HydrophobicContact CB-CG1 4Å; A120-V213 WeakPolarHBondContact O-CB 3.21Å; P122-V213 HydrophobicContact CB-CG2 4.49Å; P122-V213 HydrophobicContact CG-CG2 3.93Å; I126-V213 PolarHBondContact O-N 3.09Å; L128-V213 PolarHBondContact N-O 2.83Å; E211-V213 HydrophobicContact CG-CG2 4Å
214	A	98	Very high	96.9	Very high	25 Å²	25	57.4 Å²	57.4	21%	0.207	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	133.9	176.6	0	0	0	0	0	111.3	L128 T130 V149	L128-A214 CarbonylContact O-C 3.56Å; L128-A214 VanDerWaalsContact O-CA 3.25Å; L128-A214 WeakPolarHBondContact O-CA 3.38Å; T130-A214 HydrophobicContact CG2-CB 3.97Å; V149-A214 HydrophobicContact CG2-CB 4.15Å
215	V	97.9	Very high	96.7	Very high	15 Å²	15	57.3 Å²	57.3	9%	0.091	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	152.9	171.2	-179.2	0	0	0	0	108.7	R116 L117 A120 L128 L129 T130	R116-V215 HydrophobicContact CB-CG1 4.27Å; L117-V215 HydrophobicContact CD1-CB 4.15Å; L117-V215 HydrophobicContact CD1-CG2 4.18Å; A120-V215 HydrophobicContact CB-CG2 3.4Å; L128-V215 PolarHBondContact O-N 2.87Å; L129-V215 WeakPolarHBondContact CA-O 3.45Å; L129-V215 HydrophobicContact CD1-CB 4.36Å; L129-V215 HydrophobicContact CD1-CG1 4.32Å; L129-V215 WeakPolarHBondContact CD1-O 3.43Å; T130-V215 PolarHBondContact N-O 3.09Å; T130-V215 PolarHBondContact OG1-O 2.9Å
216	H	97.6	Very high	96.6	Very high	77 Å²	77	57.3 Å²	57.3	36%	0.356	30%	0.296	S	S	.	.			trans	-112.5	145	177.3	-59.1	-53.7	0	0	0	112	R116 T130 E167	R116-H216 PolarHBondContact NH1-O 3.39Å; R116-H216 PolarHBondContact NH2-O 3.25Å; T130-H216 WeakPolarHBondContact O-CA 3.47Å; T130-H216 PolarHBondContact O-ND1 3.27Å; T130-H216 PolarHBondContact OG1-CE1 2.68Å; T130-H216 PolarHBondContact OG1-ND1 3.36Å; E167-H216 IonicContact OE1-CE1 3.22Å; E167-H216 PolarHBondContact OE1-CE1 2.86Å
217	P	97.3	Very high	96.4	Very high	16 Å²	16	56.3 Å²	56.3	10%	0.104	30%	0.297	C	S	.	.			trans	-68.2	160.8	171.5	32.1	-36.1	0	0	0	110.6	T113 T130 V131 E222 V223	T113-P217 HydrophobicContact CG2-CB 4.31Å; T130-P217 WeakPolarHBondContact O-CD 3.44Å; V131-P217 HydrophobicContact CB-CG 4.18Å; V131-P217 HydrophobicContact CG2-CG 4.03Å; P217-E222 HydrophobicContact CB-CB 4.11Å; P217-E222 WeakPolarHBondContact CB-OE1 3.37Å; P217-V223 HydrophobicContact CB-CG1 3.9Å; P217-V223 HydrophobicContact CG-CG1 3.95Å; P217-V223 HydrophobicContact CG-CG2 3.99Å
218	Q	95.1	Very high	96.4	Very high	127 Å²	127	51.3 Å²	51.3	59%	0.593	28%	0.275	S	S	*	.	S	Bend	trans	-77.7	-31.6	176.3	-68.8	-173.5	-2.7	0	0	112.1	E222	Q218-E222 PolarHBondContact N-OE1 3.45Å; Q218-E222 VanDerWaalsContact N-OE1 3.12Å
219	R	95.2	Very high	96.4	Very high	88 Å²	88	54.7 Å²	54.7	33%	0.332	29%	0.285	S	S	.	.	S	Bend	trans	-132.7	144.5	179.8	-55.2	-178.4	-60.3	-57.8	-1.3	108.8	S221 E222 E242	R219-S221 PolarHBondContact O-N 2.77Å; R219-E222 HydrophobicContact CB-CG 4.22Å; R219-E222 IonicContact CZ-OE2 3.79Å; R219-E222 IonicContact NH1-OE2 2.68Å; R219-E222 PolarHBondContact NH1-OE2 3.47Å; R219-E222 IonicContact NH2-OE2 3.8Å; R219-E222 PolarHBondContact NH2-OE2 2.93Å; R219-E222 WeakPolarHBondContact O-CB 3.44Å; R219-E222 PolarHBondContact O-N 3.38Å; R219-E242 IonicContact CZ-OE1 2.68Å; R219-E242 VanDerWaalsContact CZ-OE1 3.22Å; R219-E242 IonicContact NE-OE1 2.74Å; R219-E242 PolarHBondContact NE-OE1 2.96Å; R219-E242 IonicContact NH2-OE1 2.75Å; R219-E242 PolarHBondContact NH2-OE1 3.3Å; R219-E242 IonicContact NH2-OE2 3.58Å
220	L	95.2	Very high	96.4	Very high	89 Å²	89	56 Å²	56	47%	0.466	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-58.6	-37.6	178.2	-63.6	-178.9	0	0	0	111.7	V131 L133 E222 V223	V131-L220 HydrophobicContact CG2-CD2 3.26Å; L133-L220 HydrophobicContact CD2-CD1 4.46Å; L133-L220 HydrophobicContact CD2-CD2 3.95Å; L220-E222 PolarHBondContact O-N 3.14Å; L220-E222 VanDerWaalsContact O-N 3.15Å; L220-V223 VanDerWaalsContact O-CG2 3.31Å; L220-V223 WeakPolarHBondContact O-CG2 3.45Å; L220-V223 PolarHBondContact O-N 3.42Å; L220-V223 VanDerWaalsContact O-N 3.15Å
221	S	95.7	Very high	96.4	Very high	12 Å²	12	53.7 Å²	53.7	8%	0.084	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-59	-25.2	179.4	52.7	0	0	0	0	114.2	L108 R219 V223 E224	L108-S221 WeakPolarHBondContact CB-O 3.45Å; R219-S221 PolarHBondContact O-N 2.77Å; S221-V223 PolarHBondContact O-N 3.23Å; S221-E224 PolarHBondContact O-N 2.81Å
222	E	96.8	Very high	96.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-63.7	-21.5	179.1	-65.6	-173.6	-21.3	0	0	112.7	V106 L108 I109 S110 T113 P217 Q218 R219 L220	V106-E222 WeakPolarHBondContact CG1-O 3.45Å; L108-E222 WeakPolarHBondContact O-CA 3.17Å; I109-E222 VanDerWaalsContact CA-O 3.24Å; I109-E222 WeakPolarHBondContact CA-O 3.3Å; I109-E222 WeakPolarHBondContact CB-O 3.26Å; I109-E222 PolarHBondContact N-O 3.12Å; S110-E222 VanDerWaalsContact CB-OE2 3.25Å; S110-E222 WeakPolarHBondContact CB-OE2 3.44Å; S110-E222 PolarHBondContact OG-OE1 2.88Å; S110-E222 PolarHBondContact OG-OE2 2.75Å; T113-E222 WeakPolarHBondContact CB-OE1 3.24Å; T113-E222 PolarHBondContact OG1-OE1 2.95Å; P217-E222 HydrophobicContact CB-CB 4.11Å; P217-E222 WeakPolarHBondContact CB-OE1 3.37Å; Q218-E222 PolarHBondContact N-OE1 3.45Å; Q218-E222 VanDerWaalsContact N-OE1 3.12Å; R219-E222 HydrophobicContact CB-CG 4.22Å; R219-E222 IonicContact CZ-OE2 3.79Å; R219-E222 IonicContact NH1-OE2 2.68Å; R219-E222 PolarHBondContact NH1-OE2 3.47Å; R219-E222 IonicContact NH2-OE2 3.8Å; R219-E222 PolarHBondContact NH2-OE2 2.93Å; R219-E222 WeakPolarHBondContact O-CB 3.44Å; R219-E222 PolarHBondContact O-N 3.38Å; L220-E222 PolarHBondContact O-N 3.14Å; L220-E222 VanDerWaalsContact O-N 3.15Å
223	V	96.2	Very high	96.4	Very high	21 Å²	21	51.7 Å²	51.7	13%	0.127	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-122	9.6	-175.4	-60.1	0	0	0	0	112.7	I109 L129 V131 T170 P217 L220 S221 G225	I109-V223 HydrophobicContact CD1-CG1 4.5Å; L129-V223 HydrophobicContact CD2-CG1 3.48Å; L129-V223 VanDerWaalsContact CD2-CG1 3.48Å; L129-V223 HydrophobicContact CG-CG1 4.31Å; V131-V223 HydrophobicContact CB-CG2 4.33Å; V131-V223 HydrophobicContact CG1-CG2 4.09Å; T170-V223 HydrophobicContact CG2-CB 3.83Å; T170-V223 HydrophobicContact CG2-CG1 3.93Å; T170-V223 HydrophobicContact CG2-CG2 3.96Å; P217-V223 HydrophobicContact CB-CG1 3.9Å; P217-V223 HydrophobicContact CG-CG1 3.95Å; P217-V223 HydrophobicContact CG-CG2 3.99Å; L220-V223 VanDerWaalsContact O-CG2 3.31Å; L220-V223 WeakPolarHBondContact O-CG2 3.45Å; L220-V223 PolarHBondContact O-N 3.42Å; L220-V223 VanDerWaalsContact O-N 3.15Å; S221-V223 PolarHBondContact O-N 3.23Å; V223-G225 PolarHBondContact O-N 3.29Å
224	E	94.4	Very high	96.4	Very high	80 Å²	80	57 Å²	57	37%	0.374	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-78.6	120.8	176.4	-80.8	-176.5	-154.4	0	0	111.2	S221 L235	S221-E224 PolarHBondContact O-N 2.81Å; E224-L235 HydrophobicContact CB-CD2 3.81Å; E224-L235 WeakPolarHBondContact O-CD1 3.29Å
225	G	93.6	Very high	96.4	Very high	24 Å²	24	55.9 Å²	55.9	25%	0.247	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-87.1	149.9	174	0	0	0	0	0	113.5	D105 V223	D105-G225 CarbonylContact O-C 3.57Å; D105-G225 WeakPolarHBondContact O-CA 3.49Å; V223-G225 PolarHBondContact O-N 3.29Å
226	V	95.2	Very high	96.4	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-99.6	119.3	178.5	177.5	0	0	0	0	111.5	M19 K25 M35 D105 L232 L235	M19-V226 HydrophobicContact CE-CG1 4.4Å; M19-V226 HydrophobicContact SD-CG1 4.24Å; K25-V226 VanDerWaalsContact CD-O 3.28Å; K25-V226 WeakPolarHBondContact CD-O 3.48Å; K25-V226 VanDerWaalsContact CE-O 3.26Å; K25-V226 WeakPolarHBondContact CE-O 3.39Å; K25-V226 PolarHBondContact NZ-O 2.81Å; M35-V226 HydrophobicContact CE-CB 4.04Å; M35-V226 HydrophobicContact CE-CG1 4.09Å; M35-V226 HydrophobicContact SD-CB 3.59Å; M35-V226 VanDerWaalsContact SD-CB 3.59Å; M35-V226 HydrophobicContact SD-CG1 3.94Å; M35-V226 HydrophobicContact SD-CG2 3.53Å; M35-V226 VanDerWaalsContact SD-CG2 3.53Å; D105-V226 PolarHBondContact O-N 3.17Å; V226-L232 HydrophobicContact CG1-CB 3.71Å; V226-L232 HydrophobicContact CG1-CD1 4.35Å; V226-L232 HydrophobicContact CG2-CB 4.49Å; V226-L232 HydrophobicContact CG2-CD1 4.27Å; V226-L235 HydrophobicContact CG2-CD1 3.4Å; V226-L235 HydrophobicContact CG2-CG 4.25Å
227	N	94.1	Very high	96.5	Very high	64 Å²	64	58.1 Å²	58.1	34%	0.342	28%	0.277	S	S	.	.	S	Bend	trans	-117	-19.1	173.6	-65.1	-64.3	0	0	0	113.7	R18 K25 Q231	R18-N227 WeakPolarHBondContact CB-O 3.41Å; K25-N227 PolarHBondContact NZ-OD1 3.44Å; N227-Q231 VanDerWaalsContact CB-OE1 3.32Å
228	N	95.9	Very high	96.5	Very high	44 Å²	44	59.7 Å²	59.7	24%	0.235	29%	0.286	C	S	.	.	S	Bend	trans	-145.2	169.3	176.5	62.4	50.9	0	0	0	110.6	R18 M19 L230 Q231 L232	R18-N228 HydrophobicContact CB-CB 4.38Å; M19-N228 VanDerWaalsContact SD-C 3.51Å; M19-N228 WeakPolarHBondContact SD-CA 3.29Å; N228-L230 VanDerWaalsContact C-N 3.27Å; N228-L230 PolarHBondContact O-N 3.07Å; N228-L230 WeakPolarHBondContact OD1-CB 3.28Å; N228-L230 PolarHBondContact OD1-N 3.44Å; N228-L230 VanDerWaalsContact OD1-N 3.09Å; N228-Q231 PolarHBondContact O-N 3.34Å; N228-Q231 PolarHBondContact OD1-N 3.5Å; N228-L232 PolarHBondContact O-N 2.98Å; N228-L232 VanDerWaalsContact O-N 3.09Å
229	R	97.6	Very high	96.7	Very high	130 Å²	130	56.2 Å²	56.2	49%	0.491	27%	0.268	S	S	.	.	H	α-helix	trans	-68	-23.2	-177.4	-62.4	179	-172.6	-112.4	7	113.8	M19 Y20 L232 S233	M19-R229 HydrophobicContact CE-CG 4.05Å; M19-R229 PolarHBondContact O-NE 2.85Å; M19-R229 PolarHBondContact O-NH2 3.01Å; M19-R229 HydrophobicContact SD-CG 4.43Å; Y20-R229 PolarHBondContact O-NH2 3.32Å; R229-L232 PolarHBondContact O-N 2.66Å; R229-S233 WeakPolarHBondContact O-CB 3.33Å; R229-S233 PolarHBondContact O-N 2.83Å; R229-S233 PolarHBondContact O-OG 3.26Å
230	L	97.7	Very high	96.8	Very high	99 Å²	99	52.1 Å²	52.1	52%	0.518	25%	0.253	S	S	.	.	H	α-helix	trans	-65.8	-48.4	174	174.5	64.7	0	0	0	110.2	N228 S233 R234	N228-L230 VanDerWaalsContact C-N 3.27Å; N228-L230 PolarHBondContact O-N 3.07Å; N228-L230 WeakPolarHBondContact OD1-CB 3.28Å; N228-L230 PolarHBondContact OD1-N 3.44Å; N228-L230 VanDerWaalsContact OD1-N 3.09Å; L230-S233 PolarHBondContact O-N 3.22Å; L230-S233 PolarHBondContact O-OG 2.84Å; L230-R234 WeakPolarHBondContact O-CG 3.46Å; L230-R234 PolarHBondContact O-N 3.38Å; L230-R234 VanDerWaalsContact O-N 3.12Å
231	Q	96.6	Very high	97	Very high	56 Å²	56	51.1 Å²	51.1	26%	0.262	25%	0.253	S	S	.	.	H	α-helix	trans	-60.3	-46.1	174.2	-71.4	169	-30.1	0	0	111.1	N227 N228 S233 R234 L235	N227-Q231 VanDerWaalsContact CB-OE1 3.32Å; N228-Q231 PolarHBondContact O-N 3.34Å; N228-Q231 PolarHBondContact OD1-N 3.5Å; Q231-S233 VanDerWaalsContact C-N 3.33Å; Q231-S233 PolarHBondContact O-N 3.18Å; Q231-R234 WeakPolarHBondContact O-CB 3.43Å; Q231-R234 PolarHBondContact O-N 3.18Å; Q231-R234 VanDerWaalsContact O-N 3.12Å; Q231-L235 PolarHBondContact O-N 2.92Å
232	L	98.2	Very high	97.1	Very high	19 Å²	19	52.4 Å²	52.4	10%	0.099	26%	0.258	C	S	.	.	H	α-helix	trans	-56.6	-45.6	176	-175.3	55.4	0	0	0	112.2	M19 H28 L30 M35 V226 N228 R229 R234 L235 E236	M19-L232 HydrophobicContact CE-CD2 4.08Å; H28-L232 HydrophobicContact CB-CD2 3.83Å; L30-L232 HydrophobicContact CB-CD1 4.42Å; M35-L232 HydrophobicContact CG-CD1 4.21Å; M35-L232 HydrophobicContact SD-CD1 3.73Å; V226-L232 HydrophobicContact CG1-CB 3.71Å; V226-L232 HydrophobicContact CG1-CD1 4.35Å; V226-L232 HydrophobicContact CG2-CB 4.49Å; V226-L232 HydrophobicContact CG2-CD1 4.27Å; N228-L232 PolarHBondContact O-N 2.98Å; N228-L232 VanDerWaalsContact O-N 3.09Å; R229-L232 PolarHBondContact O-N 2.66Å; L232-R234 VanDerWaalsContact C-N 3.27Å; L232-R234 PolarHBondContact O-N 3.46Å; L232-L235 PolarHBondContact O-N 2.9Å; L232-E236 WeakPolarHBondContact O-CB 3.5Å; L232-E236 PolarHBondContact O-N 2.93Å
233	S	98.3	Very high	97.2	Very high	59 Å²	59	53.7 Å²	53.7	41%	0.413	26%	0.264	S	S	.	.	H	α-helix	trans	-64.9	-30.1	179.6	72.4	0	0	0	0	113.4	R229 L230 Q231 R237	R229-S233 WeakPolarHBondContact O-CB 3.33Å; R229-S233 PolarHBondContact O-N 2.83Å; R229-S233 PolarHBondContact O-OG 3.26Å; L230-S233 PolarHBondContact O-N 3.22Å; L230-S233 PolarHBondContact O-OG 2.84Å; Q231-S233 VanDerWaalsContact C-N 3.33Å; Q231-S233 PolarHBondContact O-N 3.18Å; S233-R237 WeakPolarHBondContact O-CG 3.44Å; S233-R237 PolarHBondContact O-N 2.96Å
234	R	97.7	Very high	97.3	Very high	152 Å²	152	52.7 Å²	52.7	57%	0.574	26%	0.258	S	S	*	.	H	α-helix	trans	-69.8	-48.4	174.2	-70.8	174.1	179.7	-179.6	-1.7	110.5	L230 Q231 L232 E236 R237 V238	L230-R234 WeakPolarHBondContact O-CG 3.46Å; L230-R234 PolarHBondContact O-N 3.38Å; L230-R234 VanDerWaalsContact O-N 3.12Å; Q231-R234 WeakPolarHBondContact O-CB 3.43Å; Q231-R234 PolarHBondContact O-N 3.18Å; Q231-R234 VanDerWaalsContact O-N 3.12Å; L232-R234 VanDerWaalsContact C-N 3.27Å; L232-R234 PolarHBondContact O-N 3.46Å; R234-E236 VanDerWaalsContact C-N 3.28Å; R234-E236 PolarHBondContact O-N 3.4Å; R234-R237 PolarHBondContact O-N 2.95Å; R234-R237 VanDerWaalsContact O-N 3.11Å; R234-V238 WeakPolarHBondContact O-CG2 3.36Å; R234-V238 PolarHBondContact O-N 3.29Å
235	L	98.2	Very high	97.5	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-62.3	-37.1	176.4	-61	-167.9	0	0	0	112	L30 P107 L108 E224 V226 Q231 L232 R237 V238 Y239	L30-L235 HydrophobicContact CD1-CB 3.73Å; P107-L235 HydrophobicContact CG-CD1 3.98Å; L108-L235 HydrophobicContact CD1-CB 4.07Å; L108-L235 HydrophobicContact CD1-CD2 4.01Å; L108-L235 HydrophobicContact CD1-CG 4.46Å; E224-L235 HydrophobicContact CB-CD2 3.81Å; E224-L235 WeakPolarHBondContact O-CD1 3.29Å; V226-L235 HydrophobicContact CG2-CD1 3.4Å; V226-L235 HydrophobicContact CG2-CG 4.25Å; Q231-L235 PolarHBondContact O-N 2.92Å; L232-L235 PolarHBondContact O-N 2.9Å; L235-R237 VanDerWaalsContact C-N 3.33Å; L235-R237 PolarHBondContact O-N 2.65Å; L235-V238 PolarHBondContact O-N 3.42Å; L235-Y239 WeakPolarHBondContact O-CB 3.37Å; L235-Y239 PolarHBondContact O-N 3.31Å
236	E	98.7	Very high	97.7	Very high	28 Å²	28	60.6 Å²	60.6	13%	0.131	29%	0.286	C	S	.	.	H	α-helix	trans	-56.3	-47.6	172.3	179.6	68.7	-153.8	0	0	110.9	L30 A31 L232 R234 Y239 Q240	L30-E236 VanDerWaalsContact CA-OE2 3.24Å; L30-E236 WeakPolarHBondContact CA-OE2 3.46Å; A31-E236 PolarHBondContact N-OE1 3.49Å; A31-E236 PolarHBondContact N-OE2 3.42Å; L232-E236 WeakPolarHBondContact O-CB 3.5Å; L232-E236 PolarHBondContact O-N 2.93Å; R234-E236 VanDerWaalsContact C-N 3.28Å; R234-E236 PolarHBondContact O-N 3.4Å; E236-Y239 PolarHBondContact O-N 3.39Å; E236-Q240 HydrophobicContact CG-CG 4.46Å; E236-Q240 WeakPolarHBondContact O-CB 3.43Å; E236-Q240 VanDerWaalsContact O-CG 3.25Å; E236-Q240 WeakPolarHBondContact O-CG 3.36Å; E236-Q240 PolarHBondContact O-N 2.87Å; E236-Q240 PolarHBondContact OE1-NE2 2.81Å
237	R	98.6	Very high	97.9	Very high	111 Å²	111	61.3 Å²	61.3	42%	0.419	29%	0.289	S	S	.	.	H	α-helix	trans	-66.7	-39.4	178.8	-70.1	-56.3	87.6	174.7	4.3	112.9	S233 R234 L235 S241 D261	S233-R237 WeakPolarHBondContact O-CG 3.44Å; S233-R237 PolarHBondContact O-N 2.96Å; R234-R237 PolarHBondContact O-N 2.95Å; R234-R237 VanDerWaalsContact O-N 3.11Å; L235-R237 VanDerWaalsContact C-N 3.33Å; L235-R237 PolarHBondContact O-N 2.65Å; R237-S241 WeakPolarHBondContact O-CB 3.29Å; R237-S241 PolarHBondContact O-N 3.07Å; R237-D261 IonicContact CZ-OD1 3.23Å; R237-D261 IonicContact NH1-OD1 2.75Å; R237-D261 PolarHBondContact NH1-OD1 2.82Å; R237-D261 IonicContact NH1-OD2 3.04Å; R237-D261 IonicContact NH2-OD1 3.2Å; R237-D261 PolarHBondContact NH2-OD1 2.86Å
238	V	98.2	Very high	98.1	Very high	48 Å²	48	61.2 Å²	61.2	29%	0.291	29%	0.289	S	S	.	.	H	α-helix	trans	-58.8	-50.6	174.5	172.8	0	0	0	0	110.1	L108 R234 L235 Q240 S241 E242	L108-V238 HydrophobicContact CD1-CB 4.28Å; L108-V238 HydrophobicContact CD1-CG1 4.03Å; R234-V238 WeakPolarHBondContact O-CG2 3.36Å; R234-V238 PolarHBondContact O-N 3.29Å; L235-V238 PolarHBondContact O-N 3.42Å; V238-Q240 PolarHBondContact O-N 2.85Å; V238-S241 WeakPolarHBondContact O-CB 3.4Å; V238-S241 PolarHBondContact O-N 2.79Å; V238-E242 WeakPolarHBondContact O-CG 3.37Å; V238-E242 PolarHBondContact O-N 2.93Å
239	Y	98.3	Very high	98.3	Very high	54 Å²	54	66 Å²	66	21%	0.212	31%	0.313	C	S	.	.	H	α-helix	trans	-65	-42.3	-178.4	-169.4	-102.7	0	0	0	113	L30 A31 H38 L108 L235 E236 S241 E242 Q243	L30-Y239 HydrophobicContact CD2-CD1 3.5Å; L30-Y239 HydrophobicContact CD2-CD2 3.93Å; L30-Y239 HydrophobicContact CD2-CE1 3.97Å; L30-Y239 HydrophobicContact CD2-CE2 4.33Å; L30-Y239 HydrophobicContact CD2-CG 3.45Å; L30-Y239 VanDerWaalsContact CD2-CG 3.45Å; A31-Y239 HydrophobicContact CB-CD1 3.52Å; A31-Y239 HydrophobicContact CB-CE1 3.43Å; A31-Y239 VanDerWaalsContact CB-CE1 3.43Å; H38-Y239 AromaticContact CE1-CZ 3.79Å; L108-Y239 HydrophobicContact CD2-CD2 3.46Å; L108-Y239 VanDerWaalsContact CD2-CD2 3.46Å; L108-Y239 HydrophobicContact CD2-CE2 4.22Å; L108-Y239 HydrophobicContact CD2-CG 4.08Å; L235-Y239 WeakPolarHBondContact O-CB 3.37Å; L235-Y239 PolarHBondContact O-N 3.31Å; E236-Y239 PolarHBondContact O-N 3.39Å; Y239-S241 VanDerWaalsContact C-N 3.29Å; Y239-S241 PolarHBondContact O-N 3.02Å; Y239-E242 PolarHBondContact O-N 3.1Å; Y239-Q243 HydrophobicContact CD1-CG 4.13Å; Y239-Q243 HydrophobicContact CE1-CG 3.93Å; Y239-Q243 WeakPolarHBondContact O-CG 3.38Å; Y239-Q243 PolarHBondContact O-N 3.27Å
240	Q	98.8	Very high	98.3	Very high	3 Å²	3	62.7 Å²	62.7	1%	0.014	31%	0.314	C	S	.	.	H	α-helix	trans	-61.9	-39.1	175	-68.3	-58.5	-15.7	0	0	111.8	E236 V238 Q243 A244 L262	E236-Q240 HydrophobicContact CG-CG 4.46Å; E236-Q240 WeakPolarHBondContact O-CB 3.43Å; E236-Q240 VanDerWaalsContact O-CG 3.25Å; E236-Q240 WeakPolarHBondContact O-CG 3.36Å; E236-Q240 PolarHBondContact O-N 2.87Å; E236-Q240 PolarHBondContact OE1-NE2 2.81Å; V238-Q240 PolarHBondContact O-N 2.85Å; Q240-Q243 PolarHBondContact O-N 3.25Å; Q240-Q243 VanDerWaalsContact OE1-NE2 3.11Å; Q240-A244 VanDerWaalsContact O-CB 3.3Å; Q240-A244 WeakPolarHBondContact O-CB 3.49Å; Q240-A244 PolarHBondContact O-N 3.36Å; Q240-L262 PolarHBondContact NE2-O 2.84Å; Q240-L262 PolarHBondContact OE1-O 2.84Å
241	S	98.5	Very high	98.3	Very high	68 Å²	68	60.2 Å²	60.2	48%	0.476	31%	0.313	S	S	.	.	H	α-helix	trans	-62.3	-44.4	175.4	-168.7	0	0	0	0	111.9	R237 V238 Y239 A244 E245	R237-S241 WeakPolarHBondContact O-CB 3.29Å; R237-S241 PolarHBondContact O-N 3.07Å; V238-S241 WeakPolarHBondContact O-CB 3.4Å; V238-S241 PolarHBondContact O-N 2.79Å; Y239-S241 VanDerWaalsContact C-N 3.29Å; Y239-S241 PolarHBondContact O-N 3.02Å; S241-A244 PolarHBondContact O-N 3.07Å; S241-E245 WeakPolarHBondContact O-CB 3.34Å; S241-E245 PolarHBondContact O-N 3.29Å
242	E	97.6	Very high	98.5	Very high	39 Å²	39	57.7 Å²	57.7	18%	0.182	30%	0.301	C	S	.	.	H	α-helix	trans	-63.3	-41.2	177.4	-69.9	176.4	176.3	0	0	111.8	R219 V238 Y239 K246	R219-E242 IonicContact CZ-OE1 2.68Å; R219-E242 VanDerWaalsContact CZ-OE1 3.22Å; R219-E242 IonicContact NE-OE1 2.74Å; R219-E242 PolarHBondContact NE-OE1 2.96Å; R219-E242 IonicContact NH2-OE1 2.75Å; R219-E242 PolarHBondContact NH2-OE1 3.3Å; R219-E242 IonicContact NH2-OE2 3.58Å; V238-E242 WeakPolarHBondContact O-CG 3.37Å; V238-E242 PolarHBondContact O-N 2.93Å; Y239-E242 PolarHBondContact O-N 3.1Å; E242-K246 WeakPolarHBondContact O-CG 3.32Å; E242-K246 PolarHBondContact O-N 2.87Å; E242-K246 VanDerWaalsContact O-N 3.11Å
243	Q	98.5	Very high	98.5	Very high	26 Å²	26	60.7 Å²	60.7	12%	0.121	32%	0.316	C	S	.	.	H	α-helix	trans	-64.6	-45.5	175.3	-70.2	-171.9	107.3	0	0	111.9	Y239 Q240 K246 L247 L262	Y239-Q243 HydrophobicContact CD1-CG 4.13Å; Y239-Q243 HydrophobicContact CE1-CG 3.93Å; Y239-Q243 WeakPolarHBondContact O-CG 3.38Å; Y239-Q243 PolarHBondContact O-N 3.27Å; Q240-Q243 PolarHBondContact O-N 3.25Å; Q240-Q243 VanDerWaalsContact OE1-NE2 3.11Å; Q243-K246 PolarHBondContact O-N 3.37Å; Q243-L247 WeakPolarHBondContact O-CG 3.22Å; Q243-L247 PolarHBondContact O-N 3.37Å; Q243-L247 VanDerWaalsContact O-N 3.1Å; Q243-L262 PolarHBondContact NE2-O 2.97Å
244	A	98.8	Very high	98.5	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-63.7	-41.2	179.5	0	0	0	0	0	111.8	Q240 S241 L247 L248 L254 P257 F260	Q240-A244 VanDerWaalsContact O-CB 3.3Å; Q240-A244 WeakPolarHBondContact O-CB 3.49Å; Q240-A244 PolarHBondContact O-N 3.36Å; S241-A244 PolarHBondContact O-N 3.07Å; A244-L247 PolarHBondContact O-N 3.33Å; A244-L248 WeakPolarHBondContact O-CG 2.97Å; A244-L248 PolarHBondContact O-N 2.92Å; A244-L254 HydrophobicContact CB-CD1 3.73Å; A244-P257 HydrophobicContact CB-CB 3.69Å; A244-F260 HydrophobicContact CB-CD1 4.12Å
245	E	98.6	Very high	98.6	Very high	114 Å²	114	57.4 Å²	57.4	53%	0.533	30%	0.295	S	S	.	.	H	α-helix	trans	-62.4	-44.6	175.6	-174.5	175.5	177.2	0	0	111.7	S241 L247 L248 L249	S241-E245 WeakPolarHBondContact O-CB 3.34Å; S241-E245 PolarHBondContact O-N 3.29Å; E245-L247 VanDerWaalsContact C-N 3.31Å; E245-L247 PolarHBondContact O-N 3.48Å; E245-L248 PolarHBondContact O-N 2.65Å; E245-L249 HydrophobicContact CG-CD1 4.04Å; E245-L249 HydrophobicContact CG-CG 4.44Å; E245-L249 WeakPolarHBondContact O-CB 3.15Å; E245-L249 WeakPolarHBondContact O-CG 3.44Å; E245-L249 PolarHBondContact O-N 3.49Å
246	K	98.3	Very high	98.6	Very high	156 Å²	156	59.4 Å²	59.4	68%	0.678	31%	0.305	S	S	*	.	H	α-helix	trans	-57.3	-43.2	174.6	-74.1	177.4	-176.5	-178.5	0	112	E242 Q243 A250	E242-K246 WeakPolarHBondContact O-CG 3.32Å; E242-K246 PolarHBondContact O-N 2.87Å; E242-K246 VanDerWaalsContact O-N 3.11Å; Q243-K246 PolarHBondContact O-N 3.37Å; K246-A250 VanDerWaalsContact O-CB 3.25Å; K246-A250 WeakPolarHBondContact O-CB 3.5Å; K246-A250 PolarHBondContact O-N 3.35Å
247	L	98.9	Very high	98.6	Very high	15 Å²	15	60.5 Å²	60.5	8%	0.079	32%	0.315	C	S	.	.	H	α-helix	trans	-66.9	-42.9	178	-71.9	168.7	0	0	0	112.7	Q243 A244 E245 A250 G251 V252 L254 F260 L262 L266	Q243-L247 WeakPolarHBondContact O-CG 3.22Å; Q243-L247 PolarHBondContact O-N 3.37Å; Q243-L247 VanDerWaalsContact O-N 3.1Å; A244-L247 PolarHBondContact O-N 3.33Å; E245-L247 VanDerWaalsContact C-N 3.31Å; E245-L247 PolarHBondContact O-N 3.48Å; L247-A250 CarbonylContact O-C 3.53Å; L247-A250 PolarHBondContact O-N 2.99Å; L247-G251 PolarHBondContact O-N 3.09Å; L247-V252 HydrophobicContact CB-CB 4.24Å; L247-V252 HydrophobicContact CB-CG2 4.43Å; L247-V252 HydrophobicContact CD2-CG2 4.24Å; L247-V252 WeakPolarHBondContact O-CB 3.26Å; L247-V252 PolarHBondContact O-N 3.11Å; L247-L254 HydrophobicContact CB-CD1 4.39Å; L247-F260 HydrophobicContact CD1-CE1 3.45Å; L247-F260 VanDerWaalsContact CD1-CE1 3.45Å; L247-F260 HydrophobicContact CD1-CZ 3.63Å; L247-L262 HydrophobicContact CD1-CD2 4.37Å; L247-L266 HydrophobicContact CD1-CD2 3.95Å; L247-L266 HydrophobicContact CD2-CD2 3.91Å; L247-L266 HydrophobicContact CD2-CG 4.45Å
248	L	98.8	Very high	98.6	Very high	63 Å²	63	58.8 Å²	58.8	33%	0.33	32%	0.324	S	S	.	.	H	α-helix	trans	-60.3	-48	175.9	-77.9	163.6	0	0	0	111.4	A244 E245 A250 G251 V252 L254 P257	A244-L248 WeakPolarHBondContact O-CG 2.97Å; A244-L248 PolarHBondContact O-N 2.92Å; E245-L248 PolarHBondContact O-N 2.65Å; L248-A250 PolarHBondContact O-N 3.09Å; L248-G251 PolarHBondContact O-N 3.48Å; L248-G251 VanDerWaalsContact O-N 3.07Å; L248-V252 WeakPolarHBondContact CA-O 3.37Å; L248-V252 WeakPolarHBondContact CD2-O 3.29Å; L248-L254 HydrophobicContact CD2-CB 3.98Å; L248-L254 HydrophobicContact CD2-CG 4.26Å; L248-L254 HydrophobicContact CG-CB 4.29Å; L248-L254 HydrophobicContact CG-CD1 4.18Å; L248-L254 HydrophobicContact CG-CG 4.2Å; L248-P257 HydrophobicContact CD1-CB 3.86Å; L248-P257 HydrophobicContact CD1-CG 3.98Å
249	L	98.6	Very high	98.6	Very high	143 Å²	143	61.3 Å²	61.3	75%	0.749	33%	0.329	S	S	*	.	H	α-helix	trans	-65.5	-27.1	176.7	-67.4	173.8	0	0	0	112.5	E245 G251	E245-L249 HydrophobicContact CG-CD1 4.04Å; E245-L249 HydrophobicContact CG-CG 4.44Å; E245-L249 WeakPolarHBondContact O-CB 3.15Å; E245-L249 WeakPolarHBondContact O-CG 3.44Å; E245-L249 PolarHBondContact O-N 3.49Å; L249-G251 VanDerWaalsContact C-N 3.29Å
250	A	98.7	Very high	98.7	Very high	61 Å²	61	58.9 Å²	58.9	50%	0.504	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-1.6	173.8	0	0	0	0	0	114.2	K246 L247 L248	K246-A250 VanDerWaalsContact O-CB 3.25Å; K246-A250 WeakPolarHBondContact O-CB 3.5Å; K246-A250 PolarHBondContact O-N 3.35Å; L247-A250 CarbonylContact O-C 3.53Å; L247-A250 PolarHBondContact O-N 2.99Å; L248-A250 PolarHBondContact O-N 3.09Å
251	G	98.6	Very high	98.7	Very high	48 Å²	48	59.7 Å²	59.7	50%	0.495	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.3	9.9	173.4	0	0	0	0	0	115.9	L247 L248 L249	L247-G251 PolarHBondContact O-N 3.09Å; L248-G251 PolarHBondContact O-N 3.48Å; L248-G251 VanDerWaalsContact O-N 3.07Å; L249-G251 VanDerWaalsContact C-N 3.29Å
252	V	98.9	Very high	98.7	Very high	2 Å²	2	57 Å²	57	1%	0.012	30%	0.304	C	S	.	.			trans	-81.2	127	169.2	-178.3	0	0	0	0	109.2	L247 L248 L254 H268 V272 I274	L247-V252 HydrophobicContact CB-CB 4.24Å; L247-V252 HydrophobicContact CB-CG2 4.43Å; L247-V252 HydrophobicContact CD2-CG2 4.24Å; L247-V252 WeakPolarHBondContact O-CB 3.26Å; L247-V252 PolarHBondContact O-N 3.11Å; L248-V252 WeakPolarHBondContact CA-O 3.37Å; L248-V252 WeakPolarHBondContact CD2-O 3.29Å; V252-L254 HydrophobicContact CG1-CD2 3.8Å; V252-L254 HydrophobicContact CG1-CG 4.41Å; V252-L254 PolarHBondContact O-N 3.25Å; V252-H268 HydrophobicContact CG2-CB 4.03Å; V252-H268 WeakPolarHBondContact CG2-ND1 3.24Å; V252-V272 HydrophobicContact CG1-CB 4.31Å; V252-V272 HydrophobicContact CG1-CG1 4.12Å; V252-I274 HydrophobicContact CG1-CD1 3.96Å; V252-I274 HydrophobicContact CG1-CG1 4.11Å
253	M	98.9	Very high	98.7	Very high	83 Å²	83	59.1 Å²	59.1	41%	0.409	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	100.1	174.8	-178.3	61.5	-168.8	0	0	110.5	V272 E273 I274	M253-V272 PolarHBondContact N-O 3.44Å; M253-E273 HydrophobicContact CB-CG 4.24Å; M253-I274 PolarHBondContact O-N 2.84Å
254	L	98.9	Very high	98.7	Very high	6 Å²	6	59.5 Å²	59.5	3%	0.031	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	121.7	167.5	-53	-178.2	0	0	0	109.3	A244 L247 L248 V252 D256 P257 F260 I274	A244-L254 HydrophobicContact CB-CD1 3.73Å; L247-L254 HydrophobicContact CB-CD1 4.39Å; L248-L254 HydrophobicContact CD2-CB 3.98Å; L248-L254 HydrophobicContact CD2-CG 4.26Å; L248-L254 HydrophobicContact CG-CB 4.29Å; L248-L254 HydrophobicContact CG-CD1 4.18Å; L248-L254 HydrophobicContact CG-CG 4.2Å; V252-L254 HydrophobicContact CG1-CD2 3.8Å; V252-L254 HydrophobicContact CG1-CG 4.41Å; V252-L254 PolarHBondContact O-N 3.25Å; L254-D256 VanDerWaalsContact C-N 3.28Å; L254-D256 PolarHBondContact O-N 3.27Å; L254-P257 HydrophobicContact CD1-CB 4.48Å; L254-F260 HydrophobicContact CD1-CB 4.34Å; L254-F260 HydrophobicContact CD1-CD1 3.81Å; L254-F260 HydrophobicContact CD1-CE1 4.25Å; L254-F260 HydrophobicContact CD1-CG 3.98Å; L254-F260 HydrophobicContact CD2-CD2 3.97Å; L254-F260 HydrophobicContact CD2-CE2 4.1Å; L254-F260 HydrophobicContact CD2-CG 4.2Å; L254-F260 HydrophobicContact CD2-CZ 4.45Å; L254-I274 HydrophobicContact CD2-CB 3.75Å; L254-I274 HydrophobicContact CD2-CD1 3.85Å; L254-I274 HydrophobicContact CD2-CG1 4.06Å; L254-I274 HydrophobicContact CD2-CG2 4.36Å
255	R	98.7	Very high	98.7	Very high	136 Å²	136	63 Å²	63	51%	0.513	34%	0.343	S	S	.	.	S	Bend	trans	-65.9	-30.9	-179.2	-66.2	-62.6	-179.6	178	-2.4	113.3	E273 I274 D275 T276	R255-E273 IonicContact CZ-OE2 3.32Å; R255-E273 IonicContact NE-OE2 2.86Å; R255-E273 IonicContact NH2-OE2 2.67Å; R255-E273 PolarHBondContact NH2-OE2 3.09Å; R255-I274 WeakPolarHBondContact CG-O 3.44Å; R255-I274 PolarHBondContact N-O 3.07Å; R255-D275 HydrophobicContact CG-CB 4.36Å; R255-T276 HydrophobicContact CB-CG2 4.06Å
256	D	98.8	Very high	98.7	Very high	44 Å²	44	58.7 Å²	58.7	24%	0.235	32%	0.323	C	S	.	.			trans	-151.1	103.2	171.6	-173.4	-17.5	0	0	0	109.5	L254 A258 R259 T276	L254-D256 VanDerWaalsContact C-N 3.28Å; L254-D256 PolarHBondContact O-N 3.27Å; D256-A258 PolarHBondContact O-N 2.92Å; D256-A258 WeakPolarHBondContact OD1-CB 3.46Å; D256-A258 PolarHBondContact OD1-N 3.2Å; D256-R259 HydrophobicContact CB-CB 4.33Å; D256-R259 CarbonylContact O-C 3.53Å; D256-R259 PolarHBondContact O-N 2.8Å; D256-R259 IonicContact OD2-CZ 3.5Å; D256-R259 IonicContact OD2-NE 3.58Å; D256-R259 PolarHBondContact OD2-NE 2.77Å; D256-R259 IonicContact OD2-NH2 3.46Å; D256-R259 PolarHBondContact OD2-NH2 2.77Å; D256-T276 HydrophobicContact CB-CG2 3.77Å
257	P	98.7	Very high	98.7	Very high	51 Å²	51	55.4 Å²	55.4	33%	0.331	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-63.7	-20.9	-179.1	25.5	-34	0	0	0	113.4	A244 L248 L254 R259	A244-P257 HydrophobicContact CB-CB 3.69Å; L248-P257 HydrophobicContact CD1-CB 3.86Å; L248-P257 HydrophobicContact CD1-CG 3.98Å; L254-P257 HydrophobicContact CD1-CB 4.48Å; P257-R259 PolarHBondContact O-N 2.86Å
258	A	98.7	Very high	98.8	Very high	74 Å²	74	57.2 Å²	57.2	61%	0.612	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-76.8	-12.6	175.9	0	0	0	0	0	112.9	D256	D256-A258 PolarHBondContact O-N 2.92Å; D256-A258 WeakPolarHBondContact OD1-CB 3.46Å; D256-A258 PolarHBondContact OD1-N 3.2Å
259	R	98.8	Very high	98.7	Very high	102 Å²	102	54.9 Å²	54.9	39%	0.385	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-121	40.4	176.4	-67.6	-175.6	-71.4	147.8	-2.3	111.3	D256 P257 T276 N277	D256-R259 HydrophobicContact CB-CB 4.33Å; D256-R259 CarbonylContact O-C 3.53Å; D256-R259 PolarHBondContact O-N 2.8Å; D256-R259 IonicContact OD2-CZ 3.5Å; D256-R259 IonicContact OD2-NE 3.58Å; D256-R259 PolarHBondContact OD2-NE 2.77Å; D256-R259 IonicContact OD2-NH2 3.46Å; D256-R259 PolarHBondContact OD2-NH2 2.77Å; P257-R259 PolarHBondContact O-N 2.86Å; R259-T276 VanDerWaalsContact NH1-CB 3.31Å; R259-T276 PolarHBondContact NH1-OG1 3.42Å; R259-T276 VanDerWaalsContact NH2-CG2 3.29Å; R259-N277 WeakPolarHBondContact CD-OD1 3.48Å; R259-N277 VanDerWaalsContact O-CA 3.26Å; R259-N277 WeakPolarHBondContact O-CA 3.46Å; R259-N277 PolarHBondContact O-N 2.9Å
260	F	98.9	Very high	98.7	Very high	2 Å²	2	57 Å²	57	1%	0.009	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	138.3	172	172.2	-99.6	0	0	0	108.9	A244 L247 L254 L262 L266 I274 I280	A244-F260 HydrophobicContact CB-CD1 4.12Å; L247-F260 HydrophobicContact CD1-CE1 3.45Å; L247-F260 VanDerWaalsContact CD1-CE1 3.45Å; L247-F260 HydrophobicContact CD1-CZ 3.63Å; L254-F260 HydrophobicContact CD1-CB 4.34Å; L254-F260 HydrophobicContact CD1-CD1 3.81Å; L254-F260 HydrophobicContact CD1-CE1 4.25Å; L254-F260 HydrophobicContact CD1-CG 3.98Å; L254-F260 HydrophobicContact CD2-CD2 3.97Å; L254-F260 HydrophobicContact CD2-CE2 4.1Å; L254-F260 HydrophobicContact CD2-CG 4.2Å; L254-F260 HydrophobicContact CD2-CZ 4.45Å; F260-L262 HydrophobicContact CE1-CB 3.83Å; F260-L262 HydrophobicContact CZ-CB 4.08Å; F260-L266 HydrophobicContact CZ-CD2 4.35Å; F260-I274 HydrophobicContact CD2-CG2 4.17Å; F260-I274 HydrophobicContact CE2-CD1 4.04Å; F260-I274 HydrophobicContact CE2-CG2 4.29Å; F260-I280 HydrophobicContact CE2-CG1 3.87Å; F260-I280 HydrophobicContact CZ-CG1 4.19Å
261	D	98.9	Very high	98.7	Very high	21 Å²	21	59.4 Å²	59.4	11%	0.112	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	120.5	179.5	-69.2	-96.4	0	0	0	110.2	R237 V278 I279 I280	R237-D261 IonicContact CZ-OD1 3.23Å; R237-D261 IonicContact NH1-OD1 2.75Å; R237-D261 PolarHBondContact NH1-OD1 2.82Å; R237-D261 IonicContact NH1-OD2 3.04Å; R237-D261 IonicContact NH2-OD1 3.2Å; R237-D261 PolarHBondContact NH2-OD1 2.86Å; D261-V278 PolarHBondContact N-O 2.86Å; D261-V278 VanDerWaalsContact N-O 3.12Å; D261-I279 HydrophobicContact CB-CG1 4.31Å; D261-I279 HydrophobicContact CB-CG2 4.28Å; D261-I279 WeakPolarHBondContact O-CA 3.45Å; D261-I280 PolarHBondContact O-N 2.75Å
262	L	98.9	Very high	98.8	Very high	11 Å²	11	57.1 Å²	57.1	6%	0.058	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	120.6	171.1	177	59.3	0	0	0	109.8	Q240 Q243 L247 F260 L266 I280	Q240-L262 PolarHBondContact NE2-O 2.84Å; Q240-L262 PolarHBondContact OE1-O 2.84Å; Q243-L262 PolarHBondContact NE2-O 2.97Å; L247-L262 HydrophobicContact CD1-CD2 4.37Å; F260-L262 HydrophobicContact CE1-CB 3.83Å; F260-L262 HydrophobicContact CZ-CB 4.08Å; L262-L266 HydrophobicContact CD1-CB 3.91Å; L262-L266 HydrophobicContact CD2-CB 4.12Å; L262-I280 HydrophobicContact CD1-CB 3.81Å; L262-I280 HydrophobicContact CD1-CG2 3.58Å
263	R	98.7	Very high	98.8	Very high	83 Å²	83	60 Å²	60	31%	0.313	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	62.5	-179.1	-58.6	176.8	-176.4	160	2.4	110.9	A31 I280 E281 G282	A31-R263 CarbonylContact O-C 3.54Å; A31-R263 WeakPolarHBondContact O-CA 3.19Å; R263-I280 PolarHBondContact N-O 3.46Å; R263-E281 HydrophobicContact CB-CG 4.23Å; R263-E281 WeakPolarHBondContact CD-OE1 3.45Å; R263-E281 IonicContact CZ-OE1 3.36Å; R263-E281 IonicContact NH1-OE1 2.66Å; R263-E281 PolarHBondContact NH1-OE1 2.71Å; R263-E281 WeakPolarHBondContact O-CA 3.43Å; R263-G282 PolarHBondContact O-N 2.81Å
264	G	98.4	Very high	98.8	Very high	34 Å²	34	56.1 Å²	56.1	35%	0.351	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	151.4	-136.8	-174.2	0	0	0	0	0	111.1	G282	G264-G282 CarbonylContact C-O 3.51Å; G264-G282 VanDerWaalsContact CA-O 3.29Å; G264-G282 WeakPolarHBondContact CA-O 3.35Å
265	T	98.3	Very high	98.8	Very high	75 Å²	75	58.8 Å²	58.8	46%	0.46	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	142.4	178.6	68.9	0	0	0	0	110.9	G282 N283 V284	T265-G282 PolarHBondContact N-O 3.4Å; T265-N283 PolarHBondContact OG1-OD1 3.46Å; T265-V284 PolarHBondContact O-N 3.01Å
266	L	98.8	Very high	98.8	Very high	22 Å²	22	53.2 Å²	53.2	12%	0.115	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	112	176.4	177.4	59.9	0	0	0	109.3	L247 F260 L262 I274 I280 V284 L286	L247-L266 HydrophobicContact CD1-CD2 3.95Å; L247-L266 HydrophobicContact CD2-CD2 3.91Å; L247-L266 HydrophobicContact CD2-CG 4.45Å; F260-L266 HydrophobicContact CZ-CD2 4.35Å; L262-L266 HydrophobicContact CD1-CB 3.91Å; L262-L266 HydrophobicContact CD2-CB 4.12Å; L266-I274 HydrophobicContact CD2-CD1 4.47Å; L266-I280 HydrophobicContact CD1-CG2 4.35Å; L266-V284 WeakPolarHBondContact CA-O 3.19Å; L266-V284 HydrophobicContact CD1-CB 4.23Å; L266-V284 HydrophobicContact CD1-CG1 4.02Å; L266-L286 HydrophobicContact CD1-CD1 3.82Å; L266-L286 HydrophobicContact CD1-CG 3.81Å
267	T	98.8	Very high	98.8	Very high	87 Å²	87	54.9 Å²	54.9	53%	0.534	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	130.8	165.9	-57.3	0	0	0	0	108.2	V284 T285 L286	T267-V284 PolarHBondContact N-O 2.8Å; T267-T285 HydrophobicContact CG2-CG2 4.36Å; T267-T285 CarbonylContact O-C 3.45Å; T267-T285 WeakPolarHBondContact O-CA 3.48Å; T267-L286 PolarHBondContact O-N 3.18Å
268	H	98.9	Very high	98.8	Very high	53 Å²	53	52.5 Å²	52.5	25%	0.245	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	148.6	-175.8	67.1	80.8	0	0	0	112.8	V252 V272 L286	V252-H268 HydrophobicContact CG2-CB 4.03Å; V252-H268 WeakPolarHBondContact CG2-ND1 3.24Å; H268-V272 HydrophobicContact CB-CG2 4.4Å; H268-L286 CarbonylContact C-O 3.6Å; H268-L286 WeakPolarHBondContact CA-O 3.22Å
269	G	98.7	Very high	98.8	Very high	15 Å²	15	50.9 Å²	50.9	16%	0.155	26%	0.258	C	S	.	.			trans	-80.1	-155.3	167.6	0	0	0	0	0	112.8	L286	G269-L286 PolarHBondContact N-O 3.47Å
270	R	98.7	Very high	98.8	Very high	188 Å²	188	46 Å²	46	71%	0.709	24%	0.24	S	C	*	.	S	Bend	trans	-97.3	153.4	177.1	-64.1	-177.9	-178.7	174.6	0.6	110.7	V272 H288 R289	R270-V272 PolarHBondContact O-N 3.11Å; R270-H288 PolarHBondContact N-ND1 3.16Å; R270-H288 VanDerWaalsContact N-ND1 3.1Å; R270-H288 CarbonylContact O-C 3.52Å; R270-H288 WeakPolarHBondContact O-CA 3.42Å; R270-R289 PolarHBondContact O-N 2.85Å
271	D	98.7	Very high	98.8	Very high	110 Å²	110	48.3 Å²	48.3	59%	0.588	25%	0.251	S	S	*	.	S	Bend	trans	57.3	32	174.8	-51.7	-48.9	0	0	0	113.5	R289	D271-R289 HydrophobicContact CB-CG 3.9Å; D271-R289 WeakPolarHBondContact O-CA 3.48Å
272	V	98.9	Very high	98.8	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.006	26%	0.256	C	S	.	.			trans	-75.7	131.6	174.6	175.2	0	0	0	0	109.2	V252 M253 H268 R270 I274 L286 G287 V290	V252-V272 HydrophobicContact CG1-CB 4.31Å; V252-V272 HydrophobicContact CG1-CG1 4.12Å; M253-V272 PolarHBondContact N-O 3.44Å; H268-V272 HydrophobicContact CB-CG2 4.4Å; R270-V272 PolarHBondContact O-N 3.11Å; V272-I274 HydrophobicContact CG1-CD1 4.35Å; V272-I274 HydrophobicContact CG1-CG1 4Å; V272-L286 HydrophobicContact CG1-CD1 3.8Å; V272-L286 HydrophobicContact CG2-CB 4.41Å; V272-G287 VanDerWaalsContact CG2-O 3.29Å; V272-G287 WeakPolarHBondContact CG2-O 3.48Å; V272-V290 WeakPolarHBondContact CA-O 3.16Å; V272-V290 HydrophobicContact CG2-CB 4.49Å
273	E	98.9	Very high	98.8	Very high	62 Å²	62	52.9 Å²	52.9	29%	0.29	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	125.9	176.2	-62.8	-176.1	-138.2	0	0	110.8	M253 R255 V290 K291 I292	M253-E273 HydrophobicContact CB-CG 4.24Å; R255-E273 IonicContact CZ-OE2 3.32Å; R255-E273 IonicContact NE-OE2 2.86Å; R255-E273 IonicContact NH2-OE2 2.67Å; R255-E273 PolarHBondContact NH2-OE2 3.09Å; E273-V290 PolarHBondContact N-O 2.77Å; E273-K291 HydrophobicContact CB-CG 4.38Å; E273-K291 WeakPolarHBondContact O-CA 3.26Å; E273-I292 PolarHBondContact O-N 3.07Å
274	I	98.9	Very high	98.8	Very high	1 Å²	1	49 Å²	49	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	118.4	179.1	-49.5	-173	0	0	0	108.9	V252 M253 L254 R255 F260 L266 V272 V278 L286 I292	V252-I274 HydrophobicContact CG1-CD1 3.96Å; V252-I274 HydrophobicContact CG1-CG1 4.11Å; M253-I274 PolarHBondContact O-N 2.84Å; L254-I274 HydrophobicContact CD2-CB 3.75Å; L254-I274 HydrophobicContact CD2-CD1 3.85Å; L254-I274 HydrophobicContact CD2-CG1 4.06Å; L254-I274 HydrophobicContact CD2-CG2 4.36Å; R255-I274 WeakPolarHBondContact CG-O 3.44Å; R255-I274 PolarHBondContact N-O 3.07Å; F260-I274 HydrophobicContact CD2-CG2 4.17Å; F260-I274 HydrophobicContact CE2-CD1 4.04Å; F260-I274 HydrophobicContact CE2-CG2 4.29Å; L266-I274 HydrophobicContact CD2-CD1 4.47Å; V272-I274 HydrophobicContact CG1-CD1 4.35Å; V272-I274 HydrophobicContact CG1-CG1 4Å; I274-V278 HydrophobicContact CG2-CB 3.59Å; I274-V278 HydrophobicContact CG2-CG1 3.71Å; I274-V278 HydrophobicContact CG2-CG2 3.68Å; I274-L286 HydrophobicContact CD1-CD1 4.22Å; I274-I292 HydrophobicContact CD1-CD1 4.32Å; I274-I292 HydrophobicContact CG1-CD1 4.22Å; I274-I292 HydrophobicContact CG2-CB 4.36Å
275	D	98.9	Very high	98.8	Very high	62 Å²	62	50 Å²	50	33%	0.332	27%	0.265	S	S	.	.			trans	-78.7	179.9	177.6	-159.2	-2.7	0	0	0	111.6	R255 V278 I292 T294	R255-D275 HydrophobicContact CG-CB 4.36Å; D275-V278 VanDerWaalsContact O-CG2 3.3Å; D275-V278 WeakPolarHBondContact O-CG2 3.29Å; D275-I292 VanDerWaalsContact CB-O 3.26Å; D275-I292 WeakPolarHBondContact CB-O 3.29Å; D275-I292 PolarHBondContact N-O 2.9Å; D275-T294 PolarHBondContact OD2-N 2.78Å
276	T	98.9	Very high	98.8	Very high	20 Å²	20	46.6 Å²	46.6	12%	0.123	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	151	-169.6	66.3	0	0	0	0	113.1	R255 D256 R259 V278 T294 G295	R255-T276 HydrophobicContact CB-CG2 4.06Å; D256-T276 HydrophobicContact CB-CG2 3.77Å; R259-T276 VanDerWaalsContact NH1-CB 3.31Å; R259-T276 PolarHBondContact NH1-OG1 3.42Å; R259-T276 VanDerWaalsContact NH2-CG2 3.29Å; T276-V278 VanDerWaalsContact C-N 3.35Å; T276-T294 WeakPolarHBondContact O-CA 3.28Å; T276-T294 VanDerWaalsContact O-CB 3.29Å; T276-T294 WeakPolarHBondContact O-CB 3.35Å; T276-T294 PolarHBondContact O-OG1 3.07Å; T276-T294 PolarHBondContact OG1-OG1 2.88Å; T276-G295 PolarHBondContact O-N 3.49Å; T276-G295 VanDerWaalsContact O-N 3.11Å
277	N	98.9	Very high	98.8	Very high	79 Å²	79	46.1 Å²	46.1	42%	0.422	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	34.5	179.1	-49.4	-56.8	0	0	0	114	R259 G295	R259-N277 WeakPolarHBondContact CD-OD1 3.48Å; R259-N277 VanDerWaalsContact O-CA 3.26Å; R259-N277 WeakPolarHBondContact O-CA 3.46Å; R259-N277 PolarHBondContact O-N 2.9Å; N277-G295 VanDerWaalsContact O-CA 3.24Å; N277-G295 WeakPolarHBondContact O-CA 3.33Å; N277-G295 PolarHBondContact O-N 3.19Å
278	V	98.9	Very high	98.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	134.8	174.4	172.7	0	0	0	0	110.2	D261 I274 D275 T276 I280 I292 G293 C296	D261-V278 PolarHBondContact N-O 2.86Å; D261-V278 VanDerWaalsContact N-O 3.12Å; I274-V278 HydrophobicContact CG2-CB 3.59Å; I274-V278 HydrophobicContact CG2-CG1 3.71Å; I274-V278 HydrophobicContact CG2-CG2 3.68Å; D275-V278 VanDerWaalsContact O-CG2 3.3Å; D275-V278 WeakPolarHBondContact O-CG2 3.29Å; T276-V278 VanDerWaalsContact C-N 3.35Å; V278-I280 HydrophobicContact CG1-CD1 3.76Å; V278-I280 HydrophobicContact CG1-CG1 4.18Å; V278-I292 HydrophobicContact CG1-CG2 4.05Å; V278-I292 HydrophobicContact CG2-CG2 3.78Å; V278-G293 WeakPolarHBondContact CG2-O 3.26Å; V278-C296 WeakPolarHBondContact CA-O 3.35Å; V278-C296 HydrophobicContact CG2-CB 4.32Å
279	I	98.9	Very high	98.8	Very high	40 Å²	40	47.6 Å²	47.6	21%	0.205	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	122.6	174.9	-51.6	178.6	0	0	0	108.9	D261 E281 C296 V297 I298	D261-I279 HydrophobicContact CB-CG1 4.31Å; D261-I279 HydrophobicContact CB-CG2 4.28Å; D261-I279 WeakPolarHBondContact O-CA 3.45Å; I279-E281 HydrophobicContact CG2-CG 3.73Å; I279-C296 PolarHBondContact N-O 3.36Å; I279-V297 HydrophobicContact CB-CG1 4.41Å; I279-V297 HydrophobicContact CB-CG2 4.29Å; I279-V297 HydrophobicContact CD1-CG2 4.5Å; I279-V297 WeakPolarHBondContact O-CA 3.36Å; I279-I298 PolarHBondContact O-N 2.75Å
280	I	98.9	Very high	98.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	125.9	174.9	-56.4	-59.4	0	0	0	108.4	F260 D261 L262 R263 L266 V278 V284 I298	F260-I280 HydrophobicContact CE2-CG1 3.87Å; F260-I280 HydrophobicContact CZ-CG1 4.19Å; D261-I280 PolarHBondContact O-N 2.75Å; L262-I280 HydrophobicContact CD1-CB 3.81Å; L262-I280 HydrophobicContact CD1-CG2 3.58Å; R263-I280 PolarHBondContact N-O 3.46Å; L266-I280 HydrophobicContact CD1-CG2 4.35Å; V278-I280 HydrophobicContact CG1-CD1 3.76Å; V278-I280 HydrophobicContact CG1-CG1 4.18Å; I280-V284 HydrophobicContact CG2-CB 3.71Å; I280-V284 HydrophobicContact CG2-CG1 4.22Å; I280-V284 HydrophobicContact CG2-CG2 3.7Å; I280-I298 CarbonylContact C-O 3.59Å; I280-I298 WeakPolarHBondContact CA-O 3.27Å; I280-I298 HydrophobicContact CD1-CB 3.99Å; I280-I298 HydrophobicContact CD1-CD1 4.24Å; I280-I298 HydrophobicContact CD1-CG1 4.41Å
281	E	98.9	Very high	98.9	Very high	51 Å²	51	42.5 Å²	42.5	24%	0.238	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	145.8	-176.8	-52.3	-168.3	137.8	0	0	112.7	R263 I279 I298 K299 N300	R263-E281 HydrophobicContact CB-CG 4.23Å; R263-E281 WeakPolarHBondContact CD-OE1 3.45Å; R263-E281 IonicContact CZ-OE1 3.36Å; R263-E281 IonicContact NH1-OE1 2.66Å; R263-E281 PolarHBondContact NH1-OE1 2.71Å; R263-E281 WeakPolarHBondContact O-CA 3.43Å; I279-E281 HydrophobicContact CG2-CG 3.73Å; E281-I298 PolarHBondContact N-O 2.85Å; E281-K299 HydrophobicContact CB-CB 4.06Å; E281-K299 HydrophobicContact CB-CD 4.22Å; E281-K299 HydrophobicContact CB-CG 3.92Å; E281-K299 VanDerWaalsContact O-CA 3.23Å; E281-K299 WeakPolarHBondContact O-CA 3.44Å; E281-N300 PolarHBondContact O-N 2.88Å; E281-N300 VanDerWaalsContact O-N 3.13Å
282	G	98.4	Very high	98.9	Very high	22 Å²	22	37.5 Å²	37.5	23%	0.227	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	67	-138.7	179.7	0	0	0	0	0	112.4	R263 G264 T265 N300	R263-G282 PolarHBondContact O-N 2.81Å; G264-G282 CarbonylContact C-O 3.51Å; G264-G282 VanDerWaalsContact CA-O 3.29Å; G264-G282 WeakPolarHBondContact CA-O 3.35Å; T265-G282 PolarHBondContact N-O 3.4Å; G282-N300 WeakPolarHBondContact CA-OD1 3.29Å
283	N	98.6	Very high	98.9	Very high	106 Å²	106	38 Å²	38	57%	0.567	20%	0.198	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-105.4	106.2	-178.9	-61.1	-41.9	0	0	0	110.6	T265 N300 S301	T265-N283 PolarHBondContact OG1-OD1 3.46Å; N283-N300 PolarHBondContact N-OD1 2.98Å; N283-N300 VanDerWaalsContact N-OD1 3.1Å; N283-N300 CarbonylContact O-C 3.56Å; N283-N300 VanDerWaalsContact O-CA 3.22Å; N283-N300 WeakPolarHBondContact O-CA 3.48Å; N283-S301 PolarHBondContact O-N 2.93Å
284	V	98.9	Very high	98.9	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	136.5	-178.6	175.4	0	0	0	0	110.6	T265 L266 T267 I280 L286 I298 S301	T265-V284 PolarHBondContact O-N 3.01Å; L266-V284 WeakPolarHBondContact CA-O 3.19Å; L266-V284 HydrophobicContact CD1-CB 4.23Å; L266-V284 HydrophobicContact CD1-CG1 4.02Å; T267-V284 PolarHBondContact N-O 2.8Å; I280-V284 HydrophobicContact CG2-CB 3.71Å; I280-V284 HydrophobicContact CG2-CG1 4.22Å; I280-V284 HydrophobicContact CG2-CG2 3.7Å; V284-L286 HydrophobicContact CG1-CD2 3.83Å; V284-L286 HydrophobicContact CG1-CG 4.25Å; V284-I298 HydrophobicContact CG1-CG2 3.83Å; V284-I298 HydrophobicContact CG2-CG2 3.97Å; V284-S301 WeakPolarHBondContact CA-O 3.48Å
285	T	98.9	Very high	98.9	Very high	56 Å²	56	37.2 Å²	37.2	34%	0.344	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	124.9	175	-59.9	0	0	0	0	109.6	T267 S301 V302 I303	T267-T285 HydrophobicContact CG2-CG2 4.36Å; T267-T285 CarbonylContact O-C 3.45Å; T267-T285 WeakPolarHBondContact O-CA 3.48Å; T285-S301 PolarHBondContact N-O 3.03Å; T285-V302 HydrophobicContact CG2-CG1 4.46Å; T285-I303 PolarHBondContact O-N 3.33Å
286	L	98.9	Very high	98.9	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.016	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	127.8	174	-52.2	-179.8	0	0	0	109.2	L266 T267 H268 G269 V272 I274 V284 V290 I292 I303	L266-L286 HydrophobicContact CD1-CD1 3.82Å; L266-L286 HydrophobicContact CD1-CG 3.81Å; T267-L286 PolarHBondContact O-N 3.18Å; H268-L286 CarbonylContact C-O 3.6Å; H268-L286 WeakPolarHBondContact CA-O 3.22Å; G269-L286 PolarHBondContact N-O 3.47Å; V272-L286 HydrophobicContact CG1-CD1 3.8Å; V272-L286 HydrophobicContact CG2-CB 4.41Å; I274-L286 HydrophobicContact CD1-CD1 4.22Å; V284-L286 HydrophobicContact CG1-CD2 3.83Å; V284-L286 HydrophobicContact CG1-CG 4.25Å; L286-V290 HydrophobicContact CB-CB 4.41Å; L286-V290 HydrophobicContact CB-CG2 4.39Å; L286-V290 HydrophobicContact CD2-CG1 4.33Å; L286-I292 HydrophobicContact CD1-CD1 3.63Å; L286-I292 HydrophobicContact CD2-CD1 4.03Å; L286-I303 CarbonylContact C-O 3.51Å; L286-I303 HydrophobicContact CD2-CB 3.78Å; L286-I303 HydrophobicContact CD2-CG1 3.65Å; L286-I303 HydrophobicContact CD2-CG2 4.48Å
287	G	98.8	Very high	98.9	Very high	12 Å²	12	35.1 Å²	35.1	12%	0.124	19%	0.191	C	C	.	.			trans	-69	-164.4	173.2	0	0	0	0	0	113.2	V272 I303 D305	V272-G287 VanDerWaalsContact CG2-O 3.29Å; V272-G287 WeakPolarHBondContact CG2-O 3.48Å; G287-I303 PolarHBondContact N-O 3.02Å; G287-D305 VanDerWaalsContact CA-OD1 3.27Å; G287-D305 WeakPolarHBondContact CA-OD1 3.41Å
288	H	98.8	Very high	98.9	Very high	70 Å²	70	31.3 Å²	31.3	32%	0.324	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	144	175.5	-58.2	-79.2	0	0	0	111.6	R270 V290 D305 D306	R270-H288 PolarHBondContact N-ND1 3.16Å; R270-H288 VanDerWaalsContact N-ND1 3.1Å; R270-H288 CarbonylContact O-C 3.52Å; R270-H288 WeakPolarHBondContact O-CA 3.42Å; H288-V290 PolarHBondContact O-N 3.38Å; H288-V290 VanDerWaalsContact O-N 3.11Å; H288-D305 IonicContact CD2-OD1 3.51Å; H288-D305 PolarHBondContact CD2-OD1 2.94Å; H288-D305 IonicContact CD2-OD2 2.9Å; H288-D305 PolarHBondContact CD2-OD2 3.03Å; H288-D305 IonicContact CG-OD1 3.22Å; H288-D305 PolarHBondContact N-OD1 2.89Å; H288-D305 CarbonylContact O-C 3.58Å; H288-D305 WeakPolarHBondContact O-CA 3.37Å; H288-D306 PolarHBondContact O-N 3.1Å
289	R	98.9	Very high	98.9	Very high	101 Å²	101	34.4 Å²	34.4	38%	0.381	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	23.1	173.2	-59.8	169.6	-60.3	-73.5	-9.3	114.6	R270 D271 D305 D306	R270-R289 PolarHBondContact O-N 2.85Å; D271-R289 HydrophobicContact CB-CG 3.9Å; D271-R289 WeakPolarHBondContact O-CA 3.48Å; R289-D305 IonicContact NH2-OD2 2.75Å; R289-D306 IonicContact CZ-OD1 2.8Å; R289-D306 IonicContact CZ-OD2 3.4Å; R289-D306 IonicContact NE-OD1 3.93Å; R289-D306 PolarHBondContact NE-OD1 3.46Å; R289-D306 IonicContact NE-OD2 2.81Å; R289-D306 IonicContact NH2-OD1 3.72Å; R289-D306 PolarHBondContact NH2-OD1 3.13Å; R289-D306 IonicContact NH2-OD2 3.46Å; R289-D306 PolarHBondContact NH2-OD2 3.1Å
290	V	98.9	Very high	98.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.189	C	C	.	.			trans	-68.8	134.8	174.9	175.3	0	0	0	0	109.8	V272 E273 L286 H288 I292 I303 G304 C307	V272-V290 WeakPolarHBondContact CA-O 3.16Å; V272-V290 HydrophobicContact CG2-CB 4.49Å; E273-V290 PolarHBondContact N-O 2.77Å; L286-V290 HydrophobicContact CB-CB 4.41Å; L286-V290 HydrophobicContact CB-CG2 4.39Å; L286-V290 HydrophobicContact CD2-CG1 4.33Å; H288-V290 PolarHBondContact O-N 3.38Å; H288-V290 VanDerWaalsContact O-N 3.11Å; V290-I292 HydrophobicContact CG1-CG1 4.11Å; V290-I303 HydrophobicContact CG1-CG2 3.74Å; V290-I303 HydrophobicContact CG2-CG2 4.01Å; V290-G304 VanDerWaalsContact CG2-O 3.29Å; V290-G304 WeakPolarHBondContact CG2-O 3.44Å; V290-C307 WeakPolarHBondContact CA-O 3.33Å
291	K	99	Very high	98.9	Very high	95 Å²	95	35.2 Å²	35.2	41%	0.413	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	126.3	176.4	-64.6	-178.9	179.6	176.6	0	110.6	E273 C307 E308 I309	E273-K291 HydrophobicContact CB-CG 4.38Å; E273-K291 WeakPolarHBondContact O-CA 3.26Å; K291-C307 PolarHBondContact N-O 2.97Å; K291-E308 HydrophobicContact CB-CG 4.31Å; K291-I309 PolarHBondContact O-N 3.24Å
292	I	99	Very high	98.9	Very high	5 Å²	5	36 Å²	36	3%	0.026	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	116.1	178.3	-55.5	171.7	0	0	0	108.9	E273 I274 D275 V278 L286 V290 C296 I298 I309	E273-I292 PolarHBondContact O-N 3.07Å; I274-I292 HydrophobicContact CD1-CD1 4.32Å; I274-I292 HydrophobicContact CG1-CD1 4.22Å; I274-I292 HydrophobicContact CG2-CB 4.36Å; D275-I292 VanDerWaalsContact CB-O 3.26Å; D275-I292 WeakPolarHBondContact CB-O 3.29Å; D275-I292 PolarHBondContact N-O 2.9Å; V278-I292 HydrophobicContact CG1-CG2 4.05Å; V278-I292 HydrophobicContact CG2-CG2 3.78Å; L286-I292 HydrophobicContact CD1-CD1 3.63Å; L286-I292 HydrophobicContact CD2-CD1 4.03Å; V290-I292 HydrophobicContact CG1-CG1 4.11Å; I292-C296 HydrophobicContact CG2-CB 3.61Å; I292-I298 HydrophobicContact CD1-CD1 3.58Å; I292-I298 HydrophobicContact CG1-CD1 4.12Å; I292-I298 HydrophobicContact CG2-CD1 4.17Å; I292-I309 HydrophobicContact CG1-CD1 4.43Å
293	G	98.9	Very high	98.9	Very high	12 Å²	12	35 Å²	35	12%	0.124	19%	0.187	C	C	.	.			trans	-75.2	169.6	177.6	0	0	0	0	0	113.7	V278 C296 I309	V278-G293 WeakPolarHBondContact CG2-O 3.26Å; G293-C296 PolarHBondContact O-SG 3.21Å; G293-I309 PolarHBondContact N-O 2.81Å
294	T	98.9	Very high	98.9	Very high	25 Å²	25	30.8 Å²	30.8	15%	0.153	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	144.4	-173.8	-172.4	0	0	0	0	113.8	D275 T276 C296 P311 Y312	D275-T294 PolarHBondContact OD2-N 2.78Å; T276-T294 WeakPolarHBondContact O-CA 3.28Å; T276-T294 VanDerWaalsContact O-CB 3.29Å; T276-T294 WeakPolarHBondContact O-CB 3.35Å; T276-T294 PolarHBondContact O-OG1 3.07Å; T276-T294 PolarHBondContact OG1-OG1 2.88Å; T294-C296 PolarHBondContact O-N 3.26Å; T294-P311 HydrophobicContact CG2-CB 3.91Å; T294-P311 HydrophobicContact CG2-CG 4.11Å; T294-P311 VanDerWaalsContact O-CA 3.26Å; T294-P311 WeakPolarHBondContact O-CA 3.46Å; T294-P311 WeakPolarHBondContact O-CB 3.15Å; T294-Y312 PolarHBondContact O-N 3.26Å
295	G	98.8	Very high	98.9	Very high	21 Å²	21	33.3 Å²	33.3	22%	0.216	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	8.8	171.8	0	0	0	0	0	115	T276 N277	T276-G295 PolarHBondContact O-N 3.49Å; T276-G295 VanDerWaalsContact O-N 3.11Å; N277-G295 VanDerWaalsContact O-CA 3.24Å; N277-G295 WeakPolarHBondContact O-CA 3.33Å; N277-G295 PolarHBondContact O-N 3.19Å
296	C	98.9	Very high	98.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.185	C	C	.	.			trans	-71.6	145.6	176.1	-69.8	0	0	0	0	111.6	V278 I279 I292 G293 T294 S310 T313	V278-C296 WeakPolarHBondContact CA-O 3.35Å; V278-C296 HydrophobicContact CG2-CB 4.32Å; I279-C296 PolarHBondContact N-O 3.36Å; I292-C296 HydrophobicContact CG2-CB 3.61Å; G293-C296 PolarHBondContact O-SG 3.21Å; T294-C296 PolarHBondContact O-N 3.26Å; C296-S310 PolarHBondContact SG-O 3.04Å; C296-T313 VanDerWaalsContact CA-O 3.26Å; C296-T313 WeakPolarHBondContact CA-O 3.41Å
297	V	98.9	Very high	98.9	Very high	38 Å²	38	34.2 Å²	34.2	23%	0.23	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	122.6	172.5	-179	0	0	0	0	108	I279 T313 V314 V315	I279-V297 HydrophobicContact CB-CG1 4.41Å; I279-V297 HydrophobicContact CB-CG2 4.29Å; I279-V297 HydrophobicContact CD1-CG2 4.5Å; I279-V297 WeakPolarHBondContact O-CA 3.36Å; V297-T313 PolarHBondContact N-O 2.73Å; V297-V314 HydrophobicContact CB-CG1 4.23Å; V297-V314 WeakPolarHBondContact O-CA 3.43Å; V297-V315 PolarHBondContact O-N 3.32Å
298	I	98.9	Very high	98.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	124.4	-176.8	-55	175.9	0	0	0	108.7	I279 I280 E281 V284 I292 I309 V315	I279-I298 PolarHBondContact O-N 2.75Å; I280-I298 CarbonylContact C-O 3.59Å; I280-I298 WeakPolarHBondContact CA-O 3.27Å; I280-I298 HydrophobicContact CD1-CB 3.99Å; I280-I298 HydrophobicContact CD1-CD1 4.24Å; I280-I298 HydrophobicContact CD1-CG1 4.41Å; E281-I298 PolarHBondContact N-O 2.85Å; V284-I298 HydrophobicContact CG1-CG2 3.83Å; V284-I298 HydrophobicContact CG2-CG2 3.97Å; I292-I298 HydrophobicContact CD1-CD1 3.58Å; I292-I298 HydrophobicContact CG1-CD1 4.12Å; I292-I298 HydrophobicContact CG2-CD1 4.17Å; I298-I309 HydrophobicContact CD1-CD1 3.65Å; I298-V315 CarbonylContact C-O 3.52Å; I298-V315 WeakPolarHBondContact CA-O 3.29Å; I298-V315 HydrophobicContact CG1-CB 4.41Å; I298-V315 HydrophobicContact CG2-CB 4.37Å
299	K	98.9	Very high	98.9	Very high	64 Å²	64	35 Å²	35	28%	0.278	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	131.1	-177.1	-179.4	176.1	167.7	-156.5	0	111.9	E281 S301 V315 E316 D317	E281-K299 HydrophobicContact CB-CB 4.06Å; E281-K299 HydrophobicContact CB-CD 4.22Å; E281-K299 HydrophobicContact CB-CG 3.92Å; E281-K299 VanDerWaalsContact O-CA 3.23Å; E281-K299 WeakPolarHBondContact O-CA 3.44Å; K299-S301 PolarHBondContact O-N 3.23Å; K299-S301 VanDerWaalsContact O-N 3.1Å; K299-S301 PolarHBondContact O-OG 3.41Å; K299-V315 PolarHBondContact N-O 2.86Å; K299-E316 HydrophobicContact CB-CB 4.49Å; K299-E316 HydrophobicContact CB-CG 4.3Å; K299-E316 HydrophobicContact CD-CG 4.16Å; K299-E316 HydrophobicContact CG-CG 4.38Å; K299-E316 IonicContact NZ-OE1 3.62Å; K299-E316 PolarHBondContact NZ-OE1 3.01Å; K299-E316 WeakPolarHBondContact O-CA 3.14Å; K299-D317 PolarHBondContact O-N 2.95Å
300	N	98.8	Very high	98.9	Very high	58 Å²	58	31.6 Å²	31.6	31%	0.31	18%	0.177	S	C	.	.	S	Bend	trans	47.8	40.5	174.3	-65.2	-27.1	0	0	0	114.4	E281 G282 N283 D317	E281-N300 PolarHBondContact O-N 2.88Å; E281-N300 VanDerWaalsContact O-N 3.13Å; G282-N300 WeakPolarHBondContact CA-OD1 3.29Å; N283-N300 PolarHBondContact N-OD1 2.98Å; N283-N300 VanDerWaalsContact N-OD1 3.1Å; N283-N300 CarbonylContact O-C 3.56Å; N283-N300 VanDerWaalsContact O-CA 3.22Å; N283-N300 WeakPolarHBondContact O-CA 3.48Å; N300-D317 WeakPolarHBondContact CB-OD1 3.45Å; N300-D317 PolarHBondContact ND2-OD1 2.8Å; N300-D317 WeakPolarHBondContact O-CA 3.4Å
301	S	98.9	Very high	98.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.191	C	C	.	.			trans	-126	150.6	-168.5	-63.6	0	0	0	0	111.7	N283 V284 T285 K299 V315 D317 A318	N283-S301 PolarHBondContact O-N 2.93Å; V284-S301 WeakPolarHBondContact CA-O 3.48Å; T285-S301 PolarHBondContact N-O 3.03Å; K299-S301 PolarHBondContact O-N 3.23Å; K299-S301 VanDerWaalsContact O-N 3.1Å; K299-S301 PolarHBondContact O-OG 3.41Å; S301-V315 WeakPolarHBondContact OG-CG1 3.12Å; S301-D317 PolarHBondContact OG-N 3.19Å; S301-A318 VanDerWaalsContact CA-O 3.27Å; S301-A318 WeakPolarHBondContact CA-O 3.24Å; S301-A318 VanDerWaalsContact CB-O 3.27Å; S301-A318 WeakPolarHBondContact CB-O 3.42Å; S301-A318 PolarHBondContact OG-N 3.03Å
302	V	98.9	Very high	98.9	Very high	67 Å²	67	35.2 Å²	35.2	41%	0.406	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	120.5	177.5	-177.7	0	0	0	0	108.8	T285 A318 L320	T285-V302 HydrophobicContact CG2-CG1 4.46Å; V302-A318 PolarHBondContact N-O 2.95Å; V302-L320 PolarHBondContact O-N 3.05Å
303	I	98.9	Very high	98.9	Very high	1 Å²	1	35 Å²	35	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	111.1	-177.1	-49.7	-56.3	0	0	0	108.4	T285 L286 G287 V290 C307 I309 L320	T285-I303 PolarHBondContact O-N 3.33Å; L286-I303 CarbonylContact C-O 3.51Å; L286-I303 HydrophobicContact CD2-CB 3.78Å; L286-I303 HydrophobicContact CD2-CG1 3.65Å; L286-I303 HydrophobicContact CD2-CG2 4.48Å; G287-I303 PolarHBondContact N-O 3.02Å; V290-I303 HydrophobicContact CG1-CG2 3.74Å; V290-I303 HydrophobicContact CG2-CG2 4.01Å; I303-C307 HydrophobicContact CG2-CB 3.57Å; I303-I309 HydrophobicContact CD1-CD1 3.98Å; I303-I309 HydrophobicContact CG1-CD1 4.13Å; I303-I309 HydrophobicContact CG2-CD1 4.18Å; I303-L320 HydrophobicContact CD1-CB 4.41Å; I303-L320 HydrophobicContact CD1-CD1 3.88Å; I303-L320 HydrophobicContact CD1-CD2 3.78Å; I303-L320 HydrophobicContact CD1-CG 4.23Å; I303-L320 HydrophobicContact CG2-CD2 4.18Å
304	G	98.9	Very high	98.9	Very high	17 Å²	17	36.8 Å²	36.8	18%	0.175	20%	0.202	C	C	.	.			trans	-68.2	172.7	-180	0	0	0	0	0	114	V290 C307 L320	V290-G304 VanDerWaalsContact CG2-O 3.29Å; V290-G304 WeakPolarHBondContact CG2-O 3.44Å; G304-C307 WeakPolarHBondContact O-CB 3.23Å; G304-C307 PolarHBondContact O-SG 3.01Å; G304-L320 WeakPolarHBondContact CA-O 3.4Å; G304-L320 PolarHBondContact N-O 3.42Å
305	D	98.9	Very high	98.9	Very high	54 Å²	54	35.6 Å²	35.6	29%	0.289	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	147.9	-178.9	-70.8	4.9	0	0	0	112.9	G287 H288 R289 C307 A322 A323	G287-D305 VanDerWaalsContact CA-OD1 3.27Å; G287-D305 WeakPolarHBondContact CA-OD1 3.41Å; H288-D305 IonicContact CD2-OD1 3.51Å; H288-D305 PolarHBondContact CD2-OD1 2.94Å; H288-D305 IonicContact CD2-OD2 2.9Å; H288-D305 PolarHBondContact CD2-OD2 3.03Å; H288-D305 IonicContact CG-OD1 3.22Å; H288-D305 PolarHBondContact N-OD1 2.89Å; H288-D305 CarbonylContact O-C 3.58Å; H288-D305 WeakPolarHBondContact O-CA 3.37Å; R289-D305 IonicContact NH2-OD2 2.75Å; D305-C307 PolarHBondContact O-N 2.82Å; D305-A322 HydrophobicContact CB-CB 4.4Å; D305-A322 CarbonylContact O-C 3.46Å; D305-A322 WeakPolarHBondContact O-CA 3.49Å; D305-A322 WeakPolarHBondContact O-CB 3.46Å; D305-A323 PolarHBondContact O-N 3.17Å
306	D	98.9	Very high	98.9	Very high	77 Å²	77	36.8 Å²	36.8	41%	0.412	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	17.9	172.4	-58.6	-71.5	0	0	0	114.5	H288 R289	H288-D306 PolarHBondContact O-N 3.1Å; R289-D306 IonicContact CZ-OD1 2.8Å; R289-D306 IonicContact CZ-OD2 3.4Å; R289-D306 IonicContact NE-OD1 3.93Å; R289-D306 PolarHBondContact NE-OD1 3.46Å; R289-D306 IonicContact NE-OD2 2.81Å; R289-D306 IonicContact NH2-OD1 3.72Å; R289-D306 PolarHBondContact NH2-OD1 3.13Å; R289-D306 IonicContact NH2-OD2 3.46Å; R289-D306 PolarHBondContact NH2-OD2 3.1Å
307	C	98.9	Very high	98.9	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.007	21%	0.211	C	C	.	.			trans	-75.8	143.6	174.2	-68.8	0	0	0	0	111.9	V290 K291 I303 G304 D305 L320 A321 C324	V290-C307 WeakPolarHBondContact CA-O 3.33Å; K291-C307 PolarHBondContact N-O 2.97Å; I303-C307 HydrophobicContact CG2-CB 3.57Å; G304-C307 WeakPolarHBondContact O-CB 3.23Å; G304-C307 PolarHBondContact O-SG 3.01Å; D305-C307 PolarHBondContact O-N 2.82Å; C307-L320 HydrophobicContact CB-CD2 4.49Å; C307-A321 PolarHBondContact SG-O 3.16Å; C307-C324 VanDerWaalsContact CA-O 3.29Å; C307-C324 WeakPolarHBondContact CA-O 3.22Å; C307-C324 PolarHBondContact SG-N 3.06Å
308	E	98.9	Very high	98.9	Very high	97 Å²	97	38 Å²	38	45%	0.453	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	117.2	173.2	-175.5	170.5	-175.4	0	0	110.7	K291 C324 T325 I326	K291-E308 HydrophobicContact CB-CG 4.31Å; E308-C324 PolarHBondContact N-O 3.49Å; E308-T325 HydrophobicContact CB-CG2 4.48Å; E308-T325 WeakPolarHBondContact O-CA 3.29Å; E308-I326 PolarHBondContact O-N 2.87Å
309	I	98.9	Very high	98.9	Very high	1 Å²	1	42 Å²	42	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	100.6	176.8	-55	179.7	0	0	0	107.8	K291 I292 G293 I298 I303 T313	K291-I309 PolarHBondContact O-N 3.24Å; I292-I309 HydrophobicContact CG1-CD1 4.43Å; G293-I309 PolarHBondContact N-O 2.81Å; I298-I309 HydrophobicContact CD1-CD1 3.65Å; I303-I309 HydrophobicContact CD1-CD1 3.98Å; I303-I309 HydrophobicContact CG1-CD1 4.13Å; I303-I309 HydrophobicContact CG2-CD1 4.18Å; I309-T313 HydrophobicContact CG2-CG2 3.73Å
310	S	98.9	Very high	98.9	Very high	31 Å²	31	39.3 Å²	39.3	22%	0.217	21%	0.21	C	C	.	.			trans	-67.5	158.4	178.7	-72.7	0	0	0	0	112.6	C296 T313 I326	C296-S310 PolarHBondContact SG-O 3.04Å; S310-T313 WeakPolarHBondContact O-CB 3.43Å; S310-T313 PolarHBondContact O-OG1 3.04Å; S310-I326 VanDerWaalsContact CB-O 3.28Å; S310-I326 WeakPolarHBondContact CB-O 3.5Å; S310-I326 PolarHBondContact N-O 2.83Å
311	P	98.9	Very high	98.9	Very high	44 Å²	44	38.2 Å²	38.2	29%	0.286	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	151.4	-170.5	-31.8	37	0	0	0	116.6	T294 T313 P328 F329	T294-P311 HydrophobicContact CG2-CB 3.91Å; T294-P311 HydrophobicContact CG2-CG 4.11Å; T294-P311 VanDerWaalsContact O-CA 3.26Å; T294-P311 WeakPolarHBondContact O-CA 3.46Å; T294-P311 WeakPolarHBondContact O-CB 3.15Å; P311-T313 PolarHBondContact O-N 3.09Å; P311-P328 CarbonylContact O-C 3.42Å; P311-P328 WeakPolarHBondContact O-CA 3.03Å; P311-P328 WeakPolarHBondContact O-CB 3.45Å; P311-F329 PolarHBondContact O-N 2.88Å; P311-F329 VanDerWaalsContact O-N 3.09Å
312	Y	98.9	Very high	98.9	Very high	127 Å²	127	39.9 Å²	39.9	50%	0.498	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	31.1	175.6	-49.9	-69.4	0	0	0	114.1	T294 F329	T294-Y312 PolarHBondContact O-N 3.26Å; Y312-F329 HydrophobicContact CD2-CD1 4.39Å; Y312-F329 AromaticContact CD2-CE1 3.59Å; Y312-F329 HydrophobicContact CD2-CE1 3.59Å; Y312-F329 AromaticContact CD2-CZ 3.79Å; Y312-F329 HydrophobicContact CD2-CZ 3.79Å; Y312-F329 HydrophobicContact CE2-CZ 4.48Å; Y312-F329 HydrophobicContact CG-CD1 4.33Å; Y312-F329 AromaticContact CG-CE1 3.83Å; Y312-F329 HydrophobicContact CG-CE1 3.83Å; Y312-F329 HydrophobicContact CG-CZ 4.48Å; Y312-F329 WeakPolarHBondContact O-CA 3.27Å
313	T	98.9	Very high	98.8	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.222	C	C	.	.			trans	-92	136.6	174.2	-65.3	0	0	0	0	109.9	C296 V297 I309 S310 P311 V315 I326 G327 A330	C296-T313 VanDerWaalsContact CA-O 3.26Å; C296-T313 WeakPolarHBondContact CA-O 3.41Å; V297-T313 PolarHBondContact N-O 2.73Å; I309-T313 HydrophobicContact CG2-CG2 3.73Å; S310-T313 WeakPolarHBondContact O-CB 3.43Å; S310-T313 PolarHBondContact O-OG1 3.04Å; P311-T313 PolarHBondContact O-N 3.09Å; T313-V315 HydrophobicContact CG2-CG2 3.77Å; T313-I326 HydrophobicContact CG2-CB 4.46Å; T313-I326 HydrophobicContact CG2-CG2 3.52Å; T313-G327 WeakPolarHBondContact OG1-CA 3.27Å; T313-A330 WeakPolarHBondContact CA-O 3.24Å; T313-A330 HydrophobicContact CG2-CB 4.06Å
314	V	98.9	Very high	98.8	Very high	49 Å²	49	38.9 Å²	38.9	30%	0.297	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	117.9	179.4	-174	0	0	0	0	109.7	V297 A330 R331 L332	V297-V314 HydrophobicContact CB-CG1 4.23Å; V297-V314 WeakPolarHBondContact O-CA 3.43Å; V314-A330 PolarHBondContact N-O 2.99Å; V314-R331 VanDerWaalsContact CG1-NH1 3.32Å; V314-R331 WeakPolarHBondContact O-CA 3.07Å; V314-R331 PolarHBondContact O-NH1 3.22Å; V314-L332 PolarHBondContact O-N 2.75Å
315	V	98.9	Very high	98.8	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	127.1	-174.2	-171.2	0	0	0	0	109.6	V297 I298 K299 S301 T313 A318 L332	V297-V315 PolarHBondContact O-N 3.32Å; I298-V315 CarbonylContact C-O 3.52Å; I298-V315 WeakPolarHBondContact CA-O 3.29Å; I298-V315 HydrophobicContact CG1-CB 4.41Å; I298-V315 HydrophobicContact CG2-CB 4.37Å; K299-V315 PolarHBondContact N-O 2.86Å; S301-V315 WeakPolarHBondContact OG-CG1 3.12Å; T313-V315 HydrophobicContact CG2-CG2 3.77Å; V315-A318 HydrophobicContact CG1-CB 3.66Å; V315-L332 HydrophobicContact CG1-CB 4.13Å; V315-L332 HydrophobicContact CG1-CD1 4.31Å
316	E	98.9	Very high	98.8	Very high	45 Å²	45	38.1 Å²	38.1	21%	0.21	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	127.1	179.1	-177.1	173.7	-156.1	0	0	111.3	K299 A318 R331 L332 R333 P334	K299-E316 HydrophobicContact CB-CB 4.49Å; K299-E316 HydrophobicContact CB-CG 4.3Å; K299-E316 HydrophobicContact CD-CG 4.16Å; K299-E316 HydrophobicContact CG-CG 4.38Å; K299-E316 IonicContact NZ-OE1 3.62Å; K299-E316 PolarHBondContact NZ-OE1 3.01Å; K299-E316 WeakPolarHBondContact O-CA 3.14Å; E316-A318 VanDerWaalsContact C-N 3.28Å; E316-A318 PolarHBondContact O-N 2.82Å; E316-R331 IonicContact OE2-CZ 2.74Å; E316-R331 IonicContact OE2-NH2 3.45Å; E316-R331 PolarHBondContact OE2-NH2 3.32Å; E316-L332 PolarHBondContact N-O 2.93Å; E316-R333 CarbonylContact O-C 3.58Å; E316-P334 HydrophobicContact CG-CG 4.23Å; E316-P334 WeakPolarHBondContact O-CA 3.32Å; E316-P334 VanDerWaalsContact O-N 3.15Å
317	D	98.8	Very high	98.8	Very high	64 Å²	64	34.8 Å²	34.8	34%	0.342	20%	0.2	S	C	.	.	S	Bend	trans	46.7	49.9	-178.5	-56.6	-66.1	0	0	0	112.3	K299 N300 S301 P334 G335	K299-D317 PolarHBondContact O-N 2.95Å; N300-D317 WeakPolarHBondContact CB-OD1 3.45Å; N300-D317 PolarHBondContact ND2-OD1 2.8Å; N300-D317 WeakPolarHBondContact O-CA 3.4Å; S301-D317 PolarHBondContact OG-N 3.19Å; D317-P334 HydrophobicContact CB-CB 3.79Å; D317-P334 HydrophobicContact CB-CG 3.99Å; D317-G335 PolarHBondContact O-N 2.96Å
318	A	98.7	Very high	98.8	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.214	C	C	.	.			trans	-122.6	153.6	-176.8	0	0	0	0	0	112.4	S301 V302 V315 E316 L332 A336	S301-A318 VanDerWaalsContact CA-O 3.27Å; S301-A318 WeakPolarHBondContact CA-O 3.24Å; S301-A318 VanDerWaalsContact CB-O 3.27Å; S301-A318 WeakPolarHBondContact CB-O 3.42Å; S301-A318 PolarHBondContact OG-N 3.03Å; V302-A318 PolarHBondContact N-O 2.95Å; V315-A318 HydrophobicContact CG1-CB 3.66Å; E316-A318 VanDerWaalsContact C-N 3.28Å; E316-A318 PolarHBondContact O-N 2.82Å; A318-L332 HydrophobicContact CB-CB 4.11Å; A318-L332 HydrophobicContact CB-CD1 4.3Å; A318-A336 VanDerWaalsContact CA-O 3.3Å; A318-A336 WeakPolarHBondContact CA-O 3.43Å; A318-A336 HydrophobicContact CB-CB 4.08Å; A318-A336 WeakPolarHBondContact CB-O 3.48Å
319	N	98.8	Very high	98.8	Very high	84 Å²	84	36.9 Å²	36.9	45%	0.449	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	126.8	177.8	-62.9	-54.6	0	0	0	110.4	A336 E337 L338	N319-A336 PolarHBondContact N-O 2.94Å; N319-E337 CarbonylContact O-C 3.46Å; N319-E337 WeakPolarHBondContact O-CA 3.21Å; N319-L338 PolarHBondContact O-N 2.85Å
320	L	98.8	Very high	98.8	Very high	7 Å²	7	36.9 Å²	36.9	4%	0.037	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	126	173.1	-76.6	57.8	0	0	0	108.7	V302 I303 G304 C307 C324 I326 L332 L338	V302-L320 PolarHBondContact O-N 3.05Å; I303-L320 HydrophobicContact CD1-CB 4.41Å; I303-L320 HydrophobicContact CD1-CD1 3.88Å; I303-L320 HydrophobicContact CD1-CD2 3.78Å; I303-L320 HydrophobicContact CD1-CG 4.23Å; I303-L320 HydrophobicContact CG2-CD2 4.18Å; G304-L320 WeakPolarHBondContact CA-O 3.4Å; G304-L320 PolarHBondContact N-O 3.42Å; C307-L320 HydrophobicContact CB-CD2 4.49Å; L320-C324 HydrophobicContact CB-CB 4.33Å; L320-C324 HydrophobicContact CD2-CB 4.17Å; L320-C324 HydrophobicContact CG-CB 4.28Å; L320-I326 HydrophobicContact CD1-CD1 3.81Å; L320-I326 HydrophobicContact CD2-CD1 3.07Å; L320-I326 HydrophobicContact CD2-CG1 4.05Å; L320-I326 HydrophobicContact CG-CD1 3.65Å; L320-L332 HydrophobicContact CD1-CD1 3.83Å; L320-L338 HydrophobicContact CG-CB 4.29Å; L320-L338 HydrophobicContact CG-CD2 4.41Å
321	A	98.8	Very high	98.8	Very high	35 Å²	35	39 Å²	39	29%	0.289	22%	0.216	S	C	.	.			trans	-71.9	179.9	164.5	0	0	0	0	0	110.9	C307 C324 L338 E340	C307-A321 PolarHBondContact SG-O 3.16Å; A321-C324 PolarHBondContact O-SG 3.33Å; A321-L338 WeakPolarHBondContact CB-O 3.41Å; A321-L338 PolarHBondContact N-O 3.01Å; A321-E340 HydrophobicContact CB-CB 4.4Å
322	A	98.8	Very high	98.8	Very high	35 Å²	35	37 Å²	37	29%	0.289	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	154	-175.9	0	0	0	0	0	113.7	D305 C324 E340 G341	D305-A322 HydrophobicContact CB-CB 4.4Å; D305-A322 CarbonylContact O-C 3.46Å; D305-A322 WeakPolarHBondContact O-CA 3.49Å; D305-A322 WeakPolarHBondContact O-CB 3.46Å; A322-C324 PolarHBondContact O-N 3.32Å; A322-C324 VanDerWaalsContact O-N 3.08Å; A322-E340 WeakPolarHBondContact O-CA 3.29Å; A322-G341 PolarHBondContact O-N 3Å
323	A	98.7	Very high	98.8	Very high	48 Å²	48	34.4 Å²	34.4	40%	0.397	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	22.3	173.4	0	0	0	0	0	115.2	D305 G341	D305-A323 PolarHBondContact O-N 3.17Å; A323-G341 WeakPolarHBondContact O-CA 3.39Å
324	C	98.8	Very high	98.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.206	C	C	.	.			trans	-72.7	146.8	173.7	-65.4	0	0	0	0	110.9	C307 E308 L320 A321 A322 L338 L339 A342	C307-C324 VanDerWaalsContact CA-O 3.29Å; C307-C324 WeakPolarHBondContact CA-O 3.22Å; C307-C324 PolarHBondContact SG-N 3.06Å; E308-C324 PolarHBondContact N-O 3.49Å; L320-C324 HydrophobicContact CB-CB 4.33Å; L320-C324 HydrophobicContact CD2-CB 4.17Å; L320-C324 HydrophobicContact CG-CB 4.28Å; A321-C324 PolarHBondContact O-SG 3.33Å; A322-C324 PolarHBondContact O-N 3.32Å; A322-C324 VanDerWaalsContact O-N 3.08Å; C324-L338 HydrophobicContact CB-CD2 4.36Å; C324-L339 PolarHBondContact SG-O 3Å; C324-A342 WeakPolarHBondContact CA-O 3.37Å
325	T	98.9	Very high	98.7	Very high	53 Å²	53	36.4 Å²	36.4	33%	0.325	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	125.5	173.5	51.6	0	0	0	0	110	E308 A342 H343 V344	E308-T325 HydrophobicContact CB-CG2 4.48Å; E308-T325 WeakPolarHBondContact O-CA 3.29Å; T325-A342 PolarHBondContact N-O 2.72Å; T325-H343 WeakPolarHBondContact O-CA 3.34Å; T325-H343 PolarHBondContact OG1-ND1 3.2Å; T325-V344 PolarHBondContact O-N 3.24Å
326	I	98.5	Very high	98.7	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	137.7	-178.1	-57	169.4	0	0	0	110.8	E308 S310 T313 L320 A330 L332 L338 V344	E308-I326 PolarHBondContact O-N 2.87Å; S310-I326 VanDerWaalsContact CB-O 3.28Å; S310-I326 WeakPolarHBondContact CB-O 3.5Å; S310-I326 PolarHBondContact N-O 2.83Å; T313-I326 HydrophobicContact CG2-CB 4.46Å; T313-I326 HydrophobicContact CG2-CG2 3.52Å; L320-I326 HydrophobicContact CD1-CD1 3.81Å; L320-I326 HydrophobicContact CD2-CD1 3.07Å; L320-I326 HydrophobicContact CD2-CG1 4.05Å; L320-I326 HydrophobicContact CG-CD1 3.65Å; I326-A330 HydrophobicContact CG2-CB 3.4Å; I326-A330 VanDerWaalsContact CG2-CB 3.4Å; I326-L332 HydrophobicContact CD1-CD1 3.43Å; I326-L332 VanDerWaalsContact CD1-CD1 3.43Å; I326-L332 HydrophobicContact CD1-CG 4.37Å; I326-L332 HydrophobicContact CG1-CD1 4.42Å; I326-L338 HydrophobicContact CD1-CD2 3.98Å; I326-L338 HydrophobicContact CG1-CD2 3.76Å; I326-V344 CarbonylContact C-O 3.6Å; I326-V344 WeakPolarHBondContact CA-O 3.47Å; I326-V344 HydrophobicContact CG2-CB 4.36Å; I326-V344 HydrophobicContact CG2-CG1 4.42Å
327	G	98.3	Very high	98.7	Very high	8 Å²	8	38 Å²	38	8%	0.082	22%	0.221	C	C	.	.			trans	91.4	-165.9	169.7	0	0	0	0	0	113.9	T313 V344	T313-G327 WeakPolarHBondContact OG1-CA 3.27Å; G327-V344 PolarHBondContact N-O 3.15Å
328	P	98.7	Very high	98.7	Very high	47 Å²	47	35 Å²	35	31%	0.305	21%	0.205	S	C	.	.	S	Bend	cis	-68.2	166.2	-2.2	31.1	-36.9	0	0	0	112.2	P311 A330 N346	P311-P328 CarbonylContact O-C 3.42Å; P311-P328 WeakPolarHBondContact O-CA 3.03Å; P311-P328 WeakPolarHBondContact O-CB 3.45Å; P328-A330 VanDerWaalsContact C-N 3.27Å; P328-A330 PolarHBondContact O-N 3.08Å; P328-N346 WeakPolarHBondContact O-CA 3.37Å; P328-N346 VanDerWaalsContact O-CB 3.24Å; P328-N346 WeakPolarHBondContact O-CB 3.47Å
329	F	98.8	Very high	98.7	Very high	94 Å²	94	37 Å²	37	41%	0.412	22%	0.216	S	C	.	.	S	Bend	trans	59.4	29.7	176.7	-46.7	-74.1	0	0	0	115.5	P311 Y312 F347	P311-F329 PolarHBondContact O-N 2.88Å; P311-F329 VanDerWaalsContact O-N 3.09Å; Y312-F329 HydrophobicContact CD2-CD1 4.39Å; Y312-F329 AromaticContact CD2-CE1 3.59Å; Y312-F329 HydrophobicContact CD2-CE1 3.59Å; Y312-F329 AromaticContact CD2-CZ 3.79Å; Y312-F329 HydrophobicContact CD2-CZ 3.79Å; Y312-F329 HydrophobicContact CE2-CZ 4.48Å; Y312-F329 HydrophobicContact CG-CD1 4.33Å; Y312-F329 AromaticContact CG-CE1 3.83Å; Y312-F329 HydrophobicContact CG-CE1 3.83Å; Y312-F329 HydrophobicContact CG-CZ 4.48Å; Y312-F329 WeakPolarHBondContact O-CA 3.27Å; F329-F347 HydrophobicContact CB-CD1 3.68Å; F329-F347 HydrophobicContact CB-CE1 3.56Å; F329-F347 HydrophobicContact CB-CZ 4.42Å; F329-F347 HydrophobicContact CD1-CE1 4.3Å; F329-F347 AromaticContact CD2-CE1 3.89Å; F329-F347 HydrophobicContact CD2-CE1 3.89Å; F329-F347 AromaticContact CD2-CZ 4Å; F329-F347 HydrophobicContact CD2-CZ 4Å; F329-F347 HydrophobicContact CG-CD1 4.31Å; F329-F347 AromaticContact CG-CE1 3.67Å; F329-F347 HydrophobicContact CG-CE1 3.67Å; F329-F347 HydrophobicContact CG-CZ 4.26Å; F329-F347 WeakPolarHBondContact O-CA 3.35Å; F329-F347 PolarHBondContact O-N 3Å; F329-F347 VanDerWaalsContact O-N 3.07Å
330	A	98.9	Very high	98.7	Very high	2 Å²	2	38 Å²	38	2%	0.017	22%	0.218	C	C	.	.			trans	-86	150.9	171.6	0	0	0	0	0	111	T313 V314 I326 P328 V344	T313-A330 WeakPolarHBondContact CA-O 3.24Å; T313-A330 HydrophobicContact CG2-CB 4.06Å; V314-A330 PolarHBondContact N-O 2.99Å; I326-A330 HydrophobicContact CG2-CB 3.4Å; I326-A330 VanDerWaalsContact CG2-CB 3.4Å; P328-A330 VanDerWaalsContact C-N 3.27Å; P328-A330 PolarHBondContact O-N 3.08Å; A330-V344 HydrophobicContact CB-CG1 3.89Å
331	R	98.8	Very high	98.7	Very high	76 Å²	76	39.2 Å²	39.2	29%	0.287	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	103.3	173.7	-176.3	63.5	179.5	119.1	-4.7	110.4	V314 E316 R333 V348 E349 M350	V314-R331 VanDerWaalsContact CG1-NH1 3.32Å; V314-R331 WeakPolarHBondContact O-CA 3.07Å; V314-R331 PolarHBondContact O-NH1 3.22Å; E316-R331 IonicContact OE2-CZ 2.74Å; E316-R331 IonicContact OE2-NH2 3.45Å; E316-R331 PolarHBondContact OE2-NH2 3.32Å; R331-R333 HydrophobicContact CG-CG 4Å; R331-V348 PolarHBondContact N-O 2.84Å; R331-E349 HydrophobicContact CB-CB 4.49Å; R331-E349 HydrophobicContact CB-CG 4.37Å; R331-E349 HydrophobicContact CG-CG 4.41Å; R331-E349 WeakPolarHBondContact O-CA 3.3Å; R331-M350 PolarHBondContact O-N 3.03Å
332	L	98.9	Very high	98.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	117.9	170.1	-58.4	-165.5	0	0	0	109.3	V314 V315 E316 A318 L320 I326 A336 L338 V344 M350	V314-L332 PolarHBondContact O-N 2.75Å; V315-L332 HydrophobicContact CG1-CB 4.13Å; V315-L332 HydrophobicContact CG1-CD1 4.31Å; E316-L332 PolarHBondContact N-O 2.93Å; A318-L332 HydrophobicContact CB-CB 4.11Å; A318-L332 HydrophobicContact CB-CD1 4.3Å; L320-L332 HydrophobicContact CD1-CD1 3.83Å; I326-L332 HydrophobicContact CD1-CD1 3.43Å; I326-L332 VanDerWaalsContact CD1-CD1 3.43Å; I326-L332 HydrophobicContact CD1-CG 4.37Å; I326-L332 HydrophobicContact CG1-CD1 4.42Å; L332-A336 HydrophobicContact CB-CB 4.05Å; L332-A336 HydrophobicContact CD2-CB 4.39Å; L332-L338 HydrophobicContact CD1-CD1 3.86Å; L332-L338 HydrophobicContact CD2-CD1 4.26Å; L332-V344 HydrophobicContact CD2-CG1 4.25Å; L332-M350 HydrophobicContact CD2-CB 3.84Å; L332-M350 HydrophobicContact CD2-CG 4.11Å; L332-M350 HydrophobicContact CD2-SD 4.13Å
333	R	98.8	Very high	98.7	Very high	74 Å²	74	38.3 Å²	38.3	28%	0.279	22%	0.215	S	C	.	.	P	Polyproline II helix	trans	-100.8	168.8	-180	-63.6	177.5	60.1	179.3	10.6	110.5	E316 R331 G335 A336 E349 M350 K351	E316-R333 CarbonylContact O-C 3.58Å; R331-R333 HydrophobicContact CG-CG 4Å; R333-G335 PolarHBondContact O-N 3.35Å; R333-A336 VanDerWaalsContact O-CB 3.29Å; R333-A336 WeakPolarHBondContact O-CB 3.06Å; R333-A336 PolarHBondContact O-N 2.97Å; R333-E349 WeakPolarHBondContact CD-OE1 3.26Å; R333-E349 HydrophobicContact CG-CG 4.42Å; R333-E349 IonicContact CZ-OE1 3.34Å; R333-E349 IonicContact NE-OE1 2.71Å; R333-E349 IonicContact NH1-OE1 2.9Å; R333-E349 PolarHBondContact NH1-OE1 2.85Å; R333-M350 VanDerWaalsContact CB-O 3.29Å; R333-M350 WeakPolarHBondContact CB-O 3.35Å; R333-M350 PolarHBondContact N-O 3.07Å; R333-K351 HydrophobicContact CB-CB 3.99Å; R333-K351 HydrophobicContact CB-CG 4.06Å; R333-K351 VanDerWaalsContact NH2-NZ 3.12Å
334	P	98.7	Very high	98.7	Very high	47 Å²	47	36 Å²	36	31%	0.305	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	131.4	-176.4	-32.7	36.3	0	0	0	114.7	E316 D317 K352	E316-P334 HydrophobicContact CG-CG 4.23Å; E316-P334 WeakPolarHBondContact O-CA 3.32Å; E316-P334 VanDerWaalsContact O-N 3.15Å; D317-P334 HydrophobicContact CB-CB 3.79Å; D317-P334 HydrophobicContact CB-CG 3.99Å; P334-K352 WeakPolarHBondContact O-CG 3.32Å; P334-K352 PolarHBondContact O-N 2.75Å; P334-K352 VanDerWaalsContact O-N 3.15Å
335	G	98.3	Very high	98.7	Very high	43 Å²	43	36.1 Å²	36.1	44%	0.443	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	14.3	-177.2	0	0	0	0	0	114.6	D317 R333 K352 A353	D317-G335 PolarHBondContact O-N 2.96Å; R333-G335 PolarHBondContact O-N 3.35Å; G335-K352 CarbonylContact O-C 3.6Å; G335-K352 VanDerWaalsContact O-CA 3.23Å; G335-K352 WeakPolarHBondContact O-CA 3.35Å; G335-A353 PolarHBondContact O-N 3.2Å; G335-A353 VanDerWaalsContact O-N 3.11Å
336	A	98.8	Very high	98.7	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.008	19%	0.193	C	C	.	.			trans	-72.7	129.7	166.6	0	0	0	0	0	110.1	A318 N319 L332 R333 M350 A353	A318-A336 VanDerWaalsContact CA-O 3.3Å; A318-A336 WeakPolarHBondContact CA-O 3.43Å; A318-A336 HydrophobicContact CB-CB 4.08Å; A318-A336 WeakPolarHBondContact CB-O 3.48Å; N319-A336 PolarHBondContact N-O 2.94Å; L332-A336 HydrophobicContact CB-CB 4.05Å; L332-A336 HydrophobicContact CD2-CB 4.39Å; R333-A336 VanDerWaalsContact O-CB 3.29Å; R333-A336 WeakPolarHBondContact O-CB 3.06Å; R333-A336 PolarHBondContact O-N 2.97Å; A336-M350 HydrophobicContact CB-CB 4.1Å; A336-A353 WeakPolarHBondContact CA-O 3.42Å
337	E	98.8	Very high	98.7	Very high	80 Å²	80	41 Å²	41	37%	0.374	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	122	179.3	-175.9	-177.4	-165.3	0	0	109.3	N319 L339 A353 R354 L355	N319-E337 CarbonylContact O-C 3.46Å; N319-E337 WeakPolarHBondContact O-CA 3.21Å; E337-L339 HydrophobicContact CG-CD2 4.19Å; E337-A353 PolarHBondContact N-O 2.88Å; E337-R354 HydrophobicContact CB-CB 4.29Å; E337-R354 HydrophobicContact CB-CG 4.22Å; E337-R354 HydrophobicContact CG-CG 4.18Å; E337-R354 CarbonylContact O-C 3.55Å; E337-R354 VanDerWaalsContact O-CA 3.29Å; E337-R354 WeakPolarHBondContact O-CA 3.33Å; E337-R354 WeakPolarHBondContact OE2-CD 3.47Å; E337-R354 WeakPolarHBondContact OE2-CG 3.44Å; E337-L355 PolarHBondContact O-N 2.87Å
338	L	98.9	Very high	98.7	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	121.9	175.1	-81.5	68.6	0	0	0	108.3	N319 L320 A321 C324 I326 L332 A342 V344 M350	N319-L338 PolarHBondContact O-N 2.85Å; L320-L338 HydrophobicContact CG-CB 4.29Å; L320-L338 HydrophobicContact CG-CD2 4.41Å; A321-L338 WeakPolarHBondContact CB-O 3.41Å; A321-L338 PolarHBondContact N-O 3.01Å; C324-L338 HydrophobicContact CB-CD2 4.36Å; I326-L338 HydrophobicContact CD1-CD2 3.98Å; I326-L338 HydrophobicContact CG1-CD2 3.76Å; L332-L338 HydrophobicContact CD1-CD1 3.86Å; L332-L338 HydrophobicContact CD2-CD1 4.26Å; L338-A342 HydrophobicContact CB-CB 4.11Å; L338-A342 HydrophobicContact CD2-CB 4.46Å; L338-A342 HydrophobicContact CG-CB 4.26Å; L338-V344 HydrophobicContact CD1-CG2 4.39Å; L338-V344 HydrophobicContact CD2-CB 4.38Å; L338-V344 HydrophobicContact CD2-CG2 3.71Å; L338-V344 HydrophobicContact CG-CG2 4.23Å; L338-M350 HydrophobicContact CD1-CE 4.19Å; L338-M350 HydrophobicContact CD1-SD 3.88Å
339	L	98.8	Very high	98.8	Very high	42 Å²	42	41.4 Å²	41.4	22%	0.22	21%	0.212	C	C	.	.			trans	-83.1	171.4	174.1	-56.5	-172.7	0	0	0	111	C324 E337 G341 A342 R354 L355 K357	C324-L339 PolarHBondContact SG-O 3Å; E337-L339 HydrophobicContact CG-CD2 4.19Å; L339-G341 PolarHBondContact O-N 2.9Å; L339-A342 WeakPolarHBondContact O-CB 3.35Å; L339-A342 PolarHBondContact O-N 2.88Å; L339-R354 HydrophobicContact CD1-CG 4.48Å; L339-R354 HydrophobicContact CG-CG 4.32Å; L339-L355 WeakPolarHBondContact CB-O 3.49Å; L339-L355 PolarHBondContact N-O 2.92Å; L339-K357 HydrophobicContact CB-CG 3.91Å; L339-K357 HydrophobicContact CD1-CG 4.48Å
340	E	98.8	Very high	98.7	Very high	105 Å²	105	37 Å²	37	49%	0.491	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	127.9	-169.1	-172	-177.6	174.1	0	0	112.9	A321 A322 A342 K357 G358	A321-E340 HydrophobicContact CB-CB 4.4Å; A322-E340 WeakPolarHBondContact O-CA 3.29Å; E340-A342 PolarHBondContact O-N 3.03Å; E340-K357 HydrophobicContact CB-CG 4.33Å; E340-K357 CarbonylContact O-C 3.57Å; E340-K357 VanDerWaalsContact O-CA 3.26Å; E340-K357 WeakPolarHBondContact O-CA 3.32Å; E340-K357 IonicContact OE2-NZ 3.57Å; E340-G358 PolarHBondContact O-N 2.95Å
341	G	98.6	Very high	98.7	Very high	31 Å²	31	38.8 Å²	38.8	32%	0.32	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	8.7	178.8	0	0	0	0	0	115.7	A322 A323 L339	A322-G341 PolarHBondContact O-N 3Å; A323-G341 WeakPolarHBondContact O-CA 3.39Å; L339-G341 PolarHBondContact O-N 2.9Å
342	A	98.8	Very high	98.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.213	C	C	.	.			trans	-66.2	149.4	176.2	0	0	0	0	0	111.9	C324 T325 L338 L339 E340 L355 S359	C324-A342 WeakPolarHBondContact CA-O 3.37Å; T325-A342 PolarHBondContact N-O 2.72Å; L338-A342 HydrophobicContact CB-CB 4.11Å; L338-A342 HydrophobicContact CD2-CB 4.46Å; L338-A342 HydrophobicContact CG-CB 4.26Å; L339-A342 WeakPolarHBondContact O-CB 3.35Å; L339-A342 PolarHBondContact O-N 2.88Å; E340-A342 PolarHBondContact O-N 3.03Å; A342-L355 HydrophobicContact CB-CD2 4.03Å; A342-L355 HydrophobicContact CB-CG 4.13Å; A342-S359 WeakPolarHBondContact CA-O 3.23Å
343	H	98.8	Very high	98.7	Very high	51 Å²	51	41.6 Å²	41.6	24%	0.236	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	127.4	-178.9	177.5	68.2	0	0	0	111.7	T325 S359 K360 A361	T325-H343 WeakPolarHBondContact O-CA 3.34Å; T325-H343 PolarHBondContact OG1-ND1 3.2Å; H343-S359 PolarHBondContact N-O 2.85Å; H343-K360 HydrophobicContact CB-CB 4.26Å; H343-K360 HydrophobicContact CB-CG 4.03Å; H343-K360 WeakPolarHBondContact O-CA 3.12Å; H343-A361 PolarHBondContact O-N 3.33Å
344	V	98.8	Very high	98.7	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	111.2	171	173	0	0	0	0	107.9	T325 I326 G327 A330 L332 L338 V348 M350 L355 A361	T325-V344 PolarHBondContact O-N 3.24Å; I326-V344 CarbonylContact C-O 3.6Å; I326-V344 WeakPolarHBondContact CA-O 3.47Å; I326-V344 HydrophobicContact CG2-CB 4.36Å; I326-V344 HydrophobicContact CG2-CG1 4.42Å; G327-V344 PolarHBondContact N-O 3.15Å; A330-V344 HydrophobicContact CB-CG1 3.89Å; L332-V344 HydrophobicContact CD2-CG1 4.25Å; L338-V344 HydrophobicContact CD1-CG2 4.39Å; L338-V344 HydrophobicContact CD2-CB 4.38Å; L338-V344 HydrophobicContact CD2-CG2 3.71Å; L338-V344 HydrophobicContact CG-CG2 4.23Å; V344-V348 HydrophobicContact CG1-CB 3.73Å; V344-V348 HydrophobicContact CG1-CG1 3.71Å; V344-M350 HydrophobicContact CG2-SD 3.54Å; V344-M350 VanDerWaalsContact CG2-SD 3.54Å; V344-L355 HydrophobicContact CG2-CD2 3.9Å; V344-A361 CarbonylContact C-O 3.55Å; V344-A361 WeakPolarHBondContact CA-O 3.31Å
345	G	98.7	Very high	98.7	Very high	2 Å²	2	39.8 Å²	39.8	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-146.9	-177.1	0	0	0	0	0	113.3	A361 G362	G345-A361 PolarHBondContact N-O 2.93Å; G345-G362 CarbonylContact C-O 3.58Å; G345-G362 VanDerWaalsContact C-O 3.24Å; G345-G362 WeakPolarHBondContact CA-O 3.42Å
346	N	98.5	Very high	98.7	Very high	44 Å²	44	37.8 Å²	37.8	24%	0.235	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	138.7	-166.2	68	-83.6	0	0	0	115.2	P328 V348 G362 H363 L364	P328-N346 WeakPolarHBondContact O-CA 3.37Å; P328-N346 VanDerWaalsContact O-CB 3.24Å; P328-N346 WeakPolarHBondContact O-CB 3.47Å; N346-V348 PolarHBondContact O-N 2.91Å; N346-G362 PolarHBondContact N-O 2.64Å; N346-H363 CarbonylContact O-C 3.53Å; N346-H363 VanDerWaalsContact O-CA 3.32Å; N346-H363 WeakPolarHBondContact O-CA 3.29Å; N346-H363 PolarHBondContact OD1-ND1 3.07Å; N346-L364 PolarHBondContact O-N 3.26Å
347	F	98.7	Very high	98.7	Very high	112 Å²	112	42.5 Å²	42.5	49%	0.491	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	57.1	36.7	-178.3	-44.5	-55.7	0	0	0	112.6	F329 L364 T365	F329-F347 HydrophobicContact CB-CD1 3.68Å; F329-F347 HydrophobicContact CB-CE1 3.56Å; F329-F347 HydrophobicContact CB-CZ 4.42Å; F329-F347 HydrophobicContact CD1-CE1 4.3Å; F329-F347 AromaticContact CD2-CE1 3.89Å; F329-F347 HydrophobicContact CD2-CE1 3.89Å; F329-F347 AromaticContact CD2-CZ 4Å; F329-F347 HydrophobicContact CD2-CZ 4Å; F329-F347 HydrophobicContact CG-CD1 4.31Å; F329-F347 AromaticContact CG-CE1 3.67Å; F329-F347 HydrophobicContact CG-CE1 3.67Å; F329-F347 HydrophobicContact CG-CZ 4.26Å; F329-F347 WeakPolarHBondContact O-CA 3.35Å; F329-F347 PolarHBondContact O-N 3Å; F329-F347 VanDerWaalsContact O-N 3.07Å; F347-L364 HydrophobicContact CB-CD2 3.7Å; F347-L364 HydrophobicContact CB-CG 4.36Å; F347-L364 HydrophobicContact CD2-CD2 3.78Å; F347-L364 HydrophobicContact CD2-CG 4.36Å; F347-L364 HydrophobicContact CG-CD2 4.1Å; F347-L364 VanDerWaalsContact O-CA 3.24Å; F347-L364 WeakPolarHBondContact O-CA 3.41Å; F347-L364 PolarHBondContact O-N 2.89Å; F347-T365 PolarHBondContact O-N 2.91Å
348	V	98.9	Very high	98.7	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.012	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	129.5	174.2	-179	0	0	0	0	109.4	R331 V344 N346 A361 T365	R331-V348 PolarHBondContact N-O 2.84Å; V344-V348 HydrophobicContact CG1-CB 3.73Å; V344-V348 HydrophobicContact CG1-CG1 3.71Å; N346-V348 PolarHBondContact O-N 2.91Å; V348-A361 HydrophobicContact CG1-CB 4.16Å; V348-A361 WeakPolarHBondContact CG2-O 3.5Å; V348-T365 CarbonylContact C-O 3.53Å; V348-T365 VanDerWaalsContact CA-O 3.32Å; V348-T365 WeakPolarHBondContact CA-O 3.27Å; V348-T365 HydrophobicContact CG1-CG2 4.3Å
349	E	98.9	Very high	98.7	Very high	63 Å²	63	39.9 Å²	39.9	29%	0.294	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	124.5	174.4	-177.2	-173.4	159.2	0	0	109.9	R331 R333 T365 Y366 L367	R331-E349 HydrophobicContact CB-CB 4.49Å; R331-E349 HydrophobicContact CB-CG 4.37Å; R331-E349 HydrophobicContact CG-CG 4.41Å; R331-E349 WeakPolarHBondContact O-CA 3.3Å; R333-E349 WeakPolarHBondContact CD-OE1 3.26Å; R333-E349 HydrophobicContact CG-CG 4.42Å; R333-E349 IonicContact CZ-OE1 3.34Å; R333-E349 IonicContact NE-OE1 2.71Å; R333-E349 IonicContact NH1-OE1 2.9Å; R333-E349 PolarHBondContact NH1-OE1 2.85Å; E349-T365 PolarHBondContact N-O 3.11Å; E349-Y366 HydrophobicContact CB-CD2 4.16Å; E349-Y366 HydrophobicContact CG-CD2 4.14Å; E349-Y366 HydrophobicContact CG-CE2 4.41Å; E349-Y366 WeakPolarHBondContact O-CA 3.44Å; E349-L367 PolarHBondContact O-N 2.9Å
350	M	98.7	Very high	98.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	138.1	170.9	-68	-172.4	62.8	0	0	110.8	R331 L332 R333 A336 L338 V344 A353 L355 L367	R331-M350 PolarHBondContact O-N 3.03Å; L332-M350 HydrophobicContact CD2-CB 3.84Å; L332-M350 HydrophobicContact CD2-CG 4.11Å; L332-M350 HydrophobicContact CD2-SD 4.13Å; R333-M350 VanDerWaalsContact CB-O 3.29Å; R333-M350 WeakPolarHBondContact CB-O 3.35Å; R333-M350 PolarHBondContact N-O 3.07Å; A336-M350 HydrophobicContact CB-CB 4.1Å; L338-M350 HydrophobicContact CD1-CE 4.19Å; L338-M350 HydrophobicContact CD1-SD 3.88Å; V344-M350 HydrophobicContact CG2-SD 3.54Å; V344-M350 VanDerWaalsContact CG2-SD 3.54Å; M350-A353 HydrophobicContact CE-CB 3.92Å; M350-A353 WeakPolarHBondContact CE-O 3.28Å; M350-L355 HydrophobicContact CE-CB 3.87Å; M350-L355 HydrophobicContact SD-CB 4.47Å; M350-L355 HydrophobicContact SD-CD2 4.47Å; M350-L367 CarbonylContact C-O 3.59Å; M350-L367 WeakPolarHBondContact CA-O 3.24Å; M350-L367 HydrophobicContact CG-CB 4.21Å; M350-L367 HydrophobicContact CG-CD1 4.27Å; M350-L367 HydrophobicContact SD-CD1 4.49Å
351	K	98.6	Very high	98.7	Very high	40 Å²	40	38.2 Å²	38.2	17%	0.174	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	125.2	177.2	-177.9	-165	-178.8	153.2	0	110.8	R333 A353 L367 G368 D369	R333-K351 HydrophobicContact CB-CB 3.99Å; R333-K351 HydrophobicContact CB-CG 4.06Å; R333-K351 VanDerWaalsContact NH2-NZ 3.12Å; K351-A353 PolarHBondContact O-N 3.42Å; K351-L367 PolarHBondContact N-O 2.89Å; K351-G368 WeakPolarHBondContact O-CA 3.5Å; K351-D369 PolarHBondContact O-N 3Å
352	K	98.4	Very high	98.7	Very high	132 Å²	132	37.1 Å²	37.1	57%	0.574	17%	0.174	S	C	*	.	S	Bend	trans	47.6	45.9	179.8	-66.4	-174.6	172.4	-170	0	111.4	P334 G335 D369 A370	P334-K352 WeakPolarHBondContact O-CG 3.32Å; P334-K352 PolarHBondContact O-N 2.75Å; P334-K352 VanDerWaalsContact O-N 3.15Å; G335-K352 CarbonylContact O-C 3.6Å; G335-K352 VanDerWaalsContact O-CA 3.23Å; G335-K352 WeakPolarHBondContact O-CA 3.35Å; K352-D369 VanDerWaalsContact O-CA 3.26Å; K352-D369 WeakPolarHBondContact O-CA 3.36Å; K352-D369 PolarHBondContact O-N 3.35Å; K352-A370 PolarHBondContact O-N 3.34Å
353	A	98.7	Very high	98.7	Very high	3 Å²	3	41.6 Å²	41.6	3%	0.025	20%	0.195	C	C	.	.			trans	-136.7	139.9	-172.2	0	0	0	0	0	110.7	G335 A336 E337 M350 K351 L367 A370	G335-A353 PolarHBondContact O-N 3.2Å; G335-A353 VanDerWaalsContact O-N 3.11Å; A336-A353 WeakPolarHBondContact CA-O 3.42Å; E337-A353 PolarHBondContact N-O 2.88Å; M350-A353 HydrophobicContact CE-CB 3.92Å; M350-A353 WeakPolarHBondContact CE-O 3.28Å; K351-A353 PolarHBondContact O-N 3.42Å; A353-L367 HydrophobicContact CB-CB 4.43Å; A353-L367 WeakPolarHBondContact CB-O 2.89Å; A353-A370 CarbonylContact C-O 3.5Å; A353-A370 WeakPolarHBondContact CA-O 3.48Å; A353-A370 HydrophobicContact CB-CB 4.06Å
354	R	98.8	Very high	98.7	Very high	84 Å²	84	44.2 Å²	44.2	32%	0.317	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	128.7	175.4	-176.2	-178.8	67.7	-115.4	-4.1	110	E337 L339 A370 E371 I372	E337-R354 HydrophobicContact CB-CB 4.29Å; E337-R354 HydrophobicContact CB-CG 4.22Å; E337-R354 HydrophobicContact CG-CG 4.18Å; E337-R354 CarbonylContact O-C 3.55Å; E337-R354 VanDerWaalsContact O-CA 3.29Å; E337-R354 WeakPolarHBondContact O-CA 3.33Å; E337-R354 WeakPolarHBondContact OE2-CD 3.47Å; E337-R354 WeakPolarHBondContact OE2-CG 3.44Å; L339-R354 HydrophobicContact CD1-CG 4.48Å; L339-R354 HydrophobicContact CG-CG 4.32Å; R354-A370 PolarHBondContact N-O 3.29Å; R354-E371 IonicContact CZ-OE2 3.53Å; R354-E371 IonicContact NH1-OE2 2.91Å; R354-E371 PolarHBondContact NH1-OE2 3.05Å; R354-E371 IonicContact NH2-OE2 2.61Å; R354-E371 PolarHBondContact NH2-OE2 2.89Å; R354-I372 WeakPolarHBondContact O-CB 3.29Å; R354-I372 PolarHBondContact O-N 3.4Å
355	L	98.8	Very high	98.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	115.8	172.5	-171.7	63.1	0	0	0	109	E337 L339 A342 V344 M350 S359 I372	E337-L355 PolarHBondContact O-N 2.87Å; L339-L355 WeakPolarHBondContact CB-O 3.49Å; L339-L355 PolarHBondContact N-O 2.92Å; A342-L355 HydrophobicContact CB-CD2 4.03Å; A342-L355 HydrophobicContact CB-CG 4.13Å; V344-L355 HydrophobicContact CG2-CD2 3.9Å; M350-L355 HydrophobicContact CE-CB 3.87Å; M350-L355 HydrophobicContact SD-CB 4.47Å; M350-L355 HydrophobicContact SD-CD2 4.47Å; L355-S359 VanDerWaalsContact CD1-CB 3.47Å; L355-I372 HydrophobicContact CD1-CB 4.08Å; L355-I372 HydrophobicContact CD1-CD1 4.06Å; L355-I372 HydrophobicContact CD1-CG2 3.83Å
356	G	98.8	Very high	98.7	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.01	22%	0.219	C	C	.	.			trans	-65.8	176.8	-176.2	0	0	0	0	0	114.7	G358 S359 I372 G373 D374	G356-G358 PolarHBondContact O-N 3.22Å; G356-S359 VanDerWaalsContact O-CB 3.31Å; G356-S359 WeakPolarHBondContact O-CB 3.38Å; G356-S359 PolarHBondContact O-N 2.9Å; G356-S359 PolarHBondContact O-OG 3.09Å; G356-I372 PolarHBondContact N-O 2.66Å; G356-G373 VanDerWaalsContact CA-O 3.26Å; G356-G373 WeakPolarHBondContact CA-O 3.08Å; G356-G373 PolarHBondContact N-O 3.48Å; G356-D374 WeakPolarHBondContact CA-OD1 3.29Å
357	K	98.8	Very high	98.7	Very high	99 Å²	99	44.4 Å²	44.4	43%	0.43	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	132.1	-173.7	-62.4	-173.4	177.2	-163	0	110.9	L339 E340 S359 D374 N375	L339-K357 HydrophobicContact CB-CG 3.91Å; L339-K357 HydrophobicContact CD1-CG 4.48Å; E340-K357 HydrophobicContact CB-CG 4.33Å; E340-K357 CarbonylContact O-C 3.57Å; E340-K357 VanDerWaalsContact O-CA 3.26Å; E340-K357 WeakPolarHBondContact O-CA 3.32Å; E340-K357 IonicContact OE2-NZ 3.57Å; K357-S359 PolarHBondContact O-N 3.15Å; K357-D374 HydrophobicContact CB-CB 4.37Å; K357-D374 PolarHBondContact N-OD1 2.83Å; K357-D374 WeakPolarHBondContact O-CA 3.35Å; K357-N375 PolarHBondContact O-N 3.33Å
358	G	98.5	Very high	98.7	Very high	26 Å²	26	39 Å²	39	27%	0.268	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.8	0.9	179.4	0	0	0	0	0	115.8	E340 G356	E340-G358 PolarHBondContact O-N 2.95Å; G356-G358 PolarHBondContact O-N 3.22Å
359	S	98.8	Very high	98.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.19	C	C	.	.			trans	-73.2	149.4	-179.7	-65.5	0	0	0	0	111.5	A342 H343 L355 G356 K357 G373 D374 N375 V376	A342-S359 WeakPolarHBondContact CA-O 3.23Å; H343-S359 PolarHBondContact N-O 2.85Å; L355-S359 VanDerWaalsContact CD1-CB 3.47Å; G356-S359 VanDerWaalsContact O-CB 3.31Å; G356-S359 WeakPolarHBondContact O-CB 3.38Å; G356-S359 PolarHBondContact O-N 2.9Å; G356-S359 PolarHBondContact O-OG 3.09Å; K357-S359 PolarHBondContact O-N 3.15Å; S359-G373 PolarHBondContact OG-O 2.86Å; S359-D374 VanDerWaalsContact OG-C 3.32Å; S359-N375 PolarHBondContact OG-N 2.99Å; S359-N375 VanDerWaalsContact OG-N 3.07Å; S359-V376 CarbonylContact C-O 3.54Å; S359-V376 VanDerWaalsContact CA-O 3.28Å; S359-V376 WeakPolarHBondContact CA-O 3.5Å; S359-V376 PolarHBondContact OG-N 3.42Å
360	K	98.8	Very high	98.7	Very high	113 Å²	113	37.2 Å²	37.2	49%	0.491	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	129.4	-169.8	-50.7	-171.8	179.6	178.7	0	111.5	H343 V376 I378	H343-K360 HydrophobicContact CB-CB 4.26Å; H343-K360 HydrophobicContact CB-CG 4.03Å; H343-K360 WeakPolarHBondContact O-CA 3.12Å; K360-V376 PolarHBondContact N-O 3.42Å; K360-I378 WeakPolarHBondContact O-CB 3.28Å; K360-I378 PolarHBondContact O-N 3.19Å
361	A	98.7	Very high	98.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	91.4	164.2	0	0	0	0	0	107.7	H343 V344 G345 V348 T365 L367 I378	H343-A361 PolarHBondContact O-N 3.33Å; V344-A361 CarbonylContact C-O 3.55Å; V344-A361 WeakPolarHBondContact CA-O 3.31Å; G345-A361 PolarHBondContact N-O 2.93Å; V348-A361 HydrophobicContact CG1-CB 4.16Å; V348-A361 WeakPolarHBondContact CG2-O 3.5Å; A361-T365 HydrophobicContact CB-CG2 4.41Å; A361-L367 HydrophobicContact CB-CD1 3.91Å; A361-I378 HydrophobicContact CB-CB 4.07Å; A361-I378 HydrophobicContact CB-CG2 4.43Å
362	G	98.3	Very high	98.7	Very high	8 Å²	8	38 Å²	38	8%	0.082	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-32.8	-165.1	0	0	0	0	0	115	G345 N346	G345-G362 CarbonylContact C-O 3.58Å; G345-G362 VanDerWaalsContact C-O 3.24Å; G345-G362 WeakPolarHBondContact CA-O 3.42Å; N346-G362 PolarHBondContact N-O 2.64Å
363	H	98.6	Very high	98.7	Very high	93 Å²	93	32.3 Å²	32.3	43%	0.431	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	139.3	-166	-41.3	-74.2	0	0	0	112.7	N346 T365 A380 G381	N346-H363 CarbonylContact O-C 3.53Å; N346-H363 VanDerWaalsContact O-CA 3.32Å; N346-H363 WeakPolarHBondContact O-CA 3.29Å; N346-H363 PolarHBondContact OD1-ND1 3.07Å; H363-T365 PolarHBondContact O-N 2.92Å; H363-T365 PolarHBondContact O-OG1 3.49Å; H363-T365 VanDerWaalsContact O-OG1 3.05Å; H363-A380 HydrophobicContact CB-CB 3.85Å; H363-A380 VanDerWaalsContact O-CA 3.28Å; H363-A380 WeakPolarHBondContact O-CA 3.13Å; H363-G381 PolarHBondContact O-N 3.38Å
364	L	98.5	Very high	98.7	Very high	106 Å²	106	34.7 Å²	34.7	56%	0.555	17%	0.172	S	C	*	.	E	Extended strand (participates in β ladder)	trans	50.2	48.6	160.1	-64	166.2	0	0	0	114.2	N346 F347 G381	N346-L364 PolarHBondContact O-N 3.26Å; F347-L364 HydrophobicContact CB-CD2 3.7Å; F347-L364 HydrophobicContact CB-CG 4.36Å; F347-L364 HydrophobicContact CD2-CD2 3.78Å; F347-L364 HydrophobicContact CD2-CG 4.36Å; F347-L364 HydrophobicContact CG-CD2 4.1Å; F347-L364 VanDerWaalsContact O-CA 3.24Å; F347-L364 WeakPolarHBondContact O-CA 3.41Å; F347-L364 PolarHBondContact O-N 2.89Å; L364-G381 WeakPolarHBondContact O-CA 3.26Å; L364-G381 PolarHBondContact O-N 2.83Å
365	T	98.8	Very high	98.7	Very high	6 Å²	6	35.4 Å²	35.4	4%	0.037	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	143.9	-168.9	-80.1	0	0	0	0	111.5	F347 V348 E349 A361 H363 L367 I378 G379 T382	F347-T365 PolarHBondContact O-N 2.91Å; V348-T365 CarbonylContact C-O 3.53Å; V348-T365 VanDerWaalsContact CA-O 3.32Å; V348-T365 WeakPolarHBondContact CA-O 3.27Å; V348-T365 HydrophobicContact CG1-CG2 4.3Å; E349-T365 PolarHBondContact N-O 3.11Å; A361-T365 HydrophobicContact CB-CG2 4.41Å; H363-T365 PolarHBondContact O-N 2.92Å; H363-T365 PolarHBondContact O-OG1 3.49Å; H363-T365 VanDerWaalsContact O-OG1 3.05Å; T365-L367 HydrophobicContact CG2-CD1 4.19Å; T365-L367 HydrophobicContact CG2-CD2 3.76Å; T365-L367 HydrophobicContact CG2-CG 3.65Å; T365-I378 HydrophobicContact CG2-CG2 3.85Å; T365-G379 PolarHBondContact OG1-O 3.2Å; T365-T382 VanDerWaalsContact CA-O 3.26Å; T365-T382 WeakPolarHBondContact CA-O 3.44Å; T365-T382 WeakPolarHBondContact CB-O 3.13Å; T365-T382 WeakPolarHBondContact CG2-O 3.49Å; T365-T382 PolarHBondContact OG1-N 2.71Å; T365-T382 PolarHBondContact OG1-O 2.92Å
366	Y	98.8	Very high	98.7	Very high	44 Å²	44	35.5 Å²	35.5	17%	0.173	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	121	169.8	172.3	-111.8	0	0	0	110.7	E349 G368 T382 I383 T384 N386	E349-Y366 HydrophobicContact CB-CD2 4.16Å; E349-Y366 HydrophobicContact CG-CD2 4.14Å; E349-Y366 HydrophobicContact CG-CE2 4.41Å; E349-Y366 WeakPolarHBondContact O-CA 3.44Å; Y366-G368 WeakPolarHBondContact OH-CA 3.26Å; Y366-T382 PolarHBondContact N-O 2.81Å; Y366-T382 VanDerWaalsContact N-O 3.08Å; Y366-I383 HydrophobicContact CD1-CG2 4.16Å; Y366-T384 WeakPolarHBondContact CD1-O 3.42Å; Y366-T384 VanDerWaalsContact CE1-O 3.32Å; Y366-T384 WeakPolarHBondContact CE1-O 3.35Å; Y366-T384 PolarHBondContact O-N 3.43Å; Y366-T384 PolarHBondContact O-OG1 2.87Å; Y366-N386 PolarHBondContact OH-ND2 2.84Å; Y366-N386 VanDerWaalsContact OH-ND2 3.13Å
367	L	98.8	Very high	98.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	96.8	175.4	-55.3	173.9	0	0	0	109.9	E349 M350 K351 A353 A361 T365 I372 I378 T384	E349-L367 PolarHBondContact O-N 2.9Å; M350-L367 CarbonylContact C-O 3.59Å; M350-L367 WeakPolarHBondContact CA-O 3.24Å; M350-L367 HydrophobicContact CG-CB 4.21Å; M350-L367 HydrophobicContact CG-CD1 4.27Å; M350-L367 HydrophobicContact SD-CD1 4.49Å; K351-L367 PolarHBondContact N-O 2.89Å; A353-L367 HydrophobicContact CB-CB 4.43Å; A353-L367 WeakPolarHBondContact CB-O 2.89Å; A361-L367 HydrophobicContact CB-CD1 3.91Å; T365-L367 HydrophobicContact CG2-CD1 4.19Å; T365-L367 HydrophobicContact CG2-CD2 3.76Å; T365-L367 HydrophobicContact CG2-CG 3.65Å; L367-I372 HydrophobicContact CD1-CD1 3.65Å; L367-I372 HydrophobicContact CD2-CD1 4.01Å; L367-I372 HydrophobicContact CG-CD1 4.3Å; L367-I378 HydrophobicContact CD2-CG2 4.36Å; L367-T384 HydrophobicContact CD2-CG2 4Å
368	G	98.6	Very high	98.7	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	132.2	179.8	0	0	0	0	0	111.8	K351 Y366 A370 T384	K351-G368 WeakPolarHBondContact O-CA 3.5Å; Y366-G368 WeakPolarHBondContact OH-CA 3.26Å; G368-A370 VanDerWaalsContact C-N 3.3Å; G368-A370 PolarHBondContact O-N 2.86Å; G368-T384 PolarHBondContact N-OG1 3.04Å; G368-T384 PolarHBondContact O-OG1 2.87Å
369	D	98.7	Very high	98.7	Very high	25 Å²	25	33.4 Å²	33.4	13%	0.134	17%	0.172	C	C	.	.	S	Bend	trans	54.1	47.5	177.1	-57.3	-77.2	0	0	0	111.5	K351 K352 N386 K394 T395	K351-D369 PolarHBondContact O-N 3Å; K352-D369 VanDerWaalsContact O-CA 3.26Å; K352-D369 WeakPolarHBondContact O-CA 3.36Å; K352-D369 PolarHBondContact O-N 3.35Å; D369-N386 HydrophobicContact CB-CB 4.43Å; D369-N386 PolarHBondContact OD2-ND2 2.9Å; D369-K394 WeakPolarHBondContact O-CA 3.22Å; D369-T395 PolarHBondContact O-N 2.84Å; D369-T395 VanDerWaalsContact O-N 3.09Å
370	A	98.8	Very high	98.7	Very high	2 Å²	2	35 Å²	35	2%	0.017	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	142.7	-171	0	0	0	0	0	113.3	K352 A353 R354 G368 I372 T384 T395	K352-A370 PolarHBondContact O-N 3.34Å; A353-A370 CarbonylContact C-O 3.5Å; A353-A370 WeakPolarHBondContact CA-O 3.48Å; A353-A370 HydrophobicContact CB-CB 4.06Å; R354-A370 PolarHBondContact N-O 3.29Å; G368-A370 VanDerWaalsContact C-N 3.3Å; G368-A370 PolarHBondContact O-N 2.86Å; A370-I372 HydrophobicContact CB-CD1 4.48Å; A370-I372 HydrophobicContact CB-CG1 4.32Å; A370-T384 HydrophobicContact CB-CG2 4.29Å; A370-T395 CarbonylContact C-O 3.49Å; A370-T395 VanDerWaalsContact CA-O 3.27Å; A370-T395 WeakPolarHBondContact CA-O 3.47Å
371	E	98.8	Very high	98.7	Very high	56 Å²	56	30.4 Å²	30.4	26%	0.262	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	108.9	170.2	-68.6	-171.5	-141.4	0	0	108.6	R354 K394 T395 I396 I397	R354-E371 IonicContact CZ-OE2 3.53Å; R354-E371 IonicContact NH1-OE2 2.91Å; R354-E371 PolarHBondContact NH1-OE2 3.05Å; R354-E371 IonicContact NH2-OE2 2.61Å; R354-E371 PolarHBondContact NH2-OE2 2.89Å; E371-K394 IonicContact OE1-NZ 3.79Å; E371-K394 PolarHBondContact OE1-NZ 3.46Å; E371-T395 PolarHBondContact N-O 2.81Å; E371-I396 CarbonylContact O-C 3.6Å; E371-I396 WeakPolarHBondContact O-CA 3.11Å; E371-I397 PolarHBondContact O-N 3.03Å
372	I	98.9	Very high	98.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	126	-175	-53.7	175.4	0	0	0	108.5	R354 L355 G356 L367 A370 V376 I378 I397	R354-I372 WeakPolarHBondContact O-CB 3.29Å; R354-I372 PolarHBondContact O-N 3.4Å; L355-I372 HydrophobicContact CD1-CB 4.08Å; L355-I372 HydrophobicContact CD1-CD1 4.06Å; L355-I372 HydrophobicContact CD1-CG2 3.83Å; G356-I372 PolarHBondContact N-O 2.66Å; L367-I372 HydrophobicContact CD1-CD1 3.65Å; L367-I372 HydrophobicContact CD2-CD1 4.01Å; L367-I372 HydrophobicContact CG-CD1 4.3Å; A370-I372 HydrophobicContact CB-CD1 4.48Å; A370-I372 HydrophobicContact CB-CG1 4.32Å; I372-V376 HydrophobicContact CG2-CB 3.65Å; I372-V376 HydrophobicContact CG2-CG1 3.66Å; I372-V376 HydrophobicContact CG2-CG2 3.72Å; I372-I378 HydrophobicContact CD1-CD1 4.38Å; I372-I378 HydrophobicContact CD1-CG1 4.39Å; I372-I397 CarbonylContact C-O 3.41Å; I372-I397 HydrophobicContact CD1-CD1 4.38Å; I372-I397 HydrophobicContact CG1-CB 4.37Å; I372-I397 HydrophobicContact CG1-CD1 4.09Å; I372-I397 HydrophobicContact CG1-CG1 4.41Å; I372-I397 HydrophobicContact CG2-CB 4.26Å; I372-I397 HydrophobicContact CG2-CG2 4.44Å
373	G	98.8	Very high	98.7	Very high	12 Å²	12	33.3 Å²	33.3	12%	0.124	18%	0.182	C	C	.	.			trans	-69.3	-168	-179.9	0	0	0	0	0	114.2	G356 S359 I397 D399	G356-G373 VanDerWaalsContact CA-O 3.26Å; G356-G373 WeakPolarHBondContact CA-O 3.08Å; G356-G373 PolarHBondContact N-O 3.48Å; S359-G373 PolarHBondContact OG-O 2.86Å; G373-I397 PolarHBondContact N-O 3.4Å; G373-D399 VanDerWaalsContact CA-OD1 3.29Å; G373-D399 WeakPolarHBondContact CA-OD1 3.22Å
374	D	98.8	Very high	98.7	Very high	53 Å²	53	28.9 Å²	28.9	28%	0.283	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	152.1	-177.1	-66	-7.2	0	0	0	111.4	G356 K357 S359 V376 D399 D400	G356-D374 WeakPolarHBondContact CA-OD1 3.29Å; K357-D374 HydrophobicContact CB-CB 4.37Å; K357-D374 PolarHBondContact N-OD1 2.83Å; K357-D374 WeakPolarHBondContact O-CA 3.35Å; S359-D374 VanDerWaalsContact OG-C 3.32Å; D374-V376 PolarHBondContact O-N 3.08Å; D374-V376 VanDerWaalsContact O-N 3.09Å; D374-D399 PolarHBondContact N-OD1 2.92Å; D374-D399 CarbonylContact O-C 3.31Å; D374-D399 VanDerWaalsContact O-CA 3.27Å; D374-D399 WeakPolarHBondContact O-CA 3.4Å; D374-D400 PolarHBondContact O-N 3.22Å
375	N	98.8	Very high	98.7	Very high	100 Å²	100	26.2 Å²	26.2	54%	0.535	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	28.8	177.9	-52.4	-48.7	0	0	0	115.3	K357 S359 D400	K357-N375 PolarHBondContact O-N 3.33Å; S359-N375 PolarHBondContact OG-N 2.99Å; S359-N375 VanDerWaalsContact OG-N 3.07Å; N375-D400 WeakPolarHBondContact CB-OD1 3.36Å; N375-D400 PolarHBondContact ND2-OD1 3.43Å
376	V	98.9	Very high	98.7	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.012	15%	0.153	C	C	.	.			trans	-82.4	136.7	178	177.6	0	0	0	0	110.5	S359 K360 I372 D374 I378 I397 G398 V401	S359-V376 CarbonylContact C-O 3.54Å; S359-V376 VanDerWaalsContact CA-O 3.28Å; S359-V376 WeakPolarHBondContact CA-O 3.5Å; S359-V376 PolarHBondContact OG-N 3.42Å; K360-V376 PolarHBondContact N-O 3.42Å; I372-V376 HydrophobicContact CG2-CB 3.65Å; I372-V376 HydrophobicContact CG2-CG1 3.66Å; I372-V376 HydrophobicContact CG2-CG2 3.72Å; D374-V376 PolarHBondContact O-N 3.08Å; D374-V376 VanDerWaalsContact O-N 3.09Å; V376-I378 HydrophobicContact CG1-CD1 3.6Å; V376-I378 HydrophobicContact CG1-CG1 4.09Å; V376-I397 HydrophobicContact CG1-CG2 4.05Å; V376-I397 HydrophobicContact CG2-CG2 4.24Å; V376-G398 WeakPolarHBondContact CG2-O 3.26Å; V376-V401 WeakPolarHBondContact CA-O 3.46Å; V376-V401 HydrophobicContact CG1-CB 4.2Å; V376-V401 WeakPolarHBondContact CG1-O 3.27Å; V376-V401 HydrophobicContact CG2-CB 4.21Å
377	N	98.8	Very high	98.7	Very high	72 Å²	72	31 Å²	31	39%	0.385	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	111.8	170.3	-167.5	-37.9	0	0	0	110.2	V401 F402 V403	N377-V401 PolarHBondContact N-O 3.01Å; N377-F402 HydrophobicContact CB-CD2 3.88Å; N377-F402 HydrophobicContact CB-CE2 4.28Å; N377-V403 PolarHBondContact O-N 2.97Å
378	I	98.9	Very high	98.6	Very high	3 Å²	3	35.8 Å²	35.8	2%	0.015	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	111	173	-55.2	-60.6	0	0	0	109.1	K360 A361 T365 L367 I372 V376 T382 I397 V403	K360-I378 WeakPolarHBondContact O-CB 3.28Å; K360-I378 PolarHBondContact O-N 3.19Å; A361-I378 HydrophobicContact CB-CB 4.07Å; A361-I378 HydrophobicContact CB-CG2 4.43Å; T365-I378 HydrophobicContact CG2-CG2 3.85Å; L367-I378 HydrophobicContact CD2-CG2 4.36Å; I372-I378 HydrophobicContact CD1-CD1 4.38Å; I372-I378 HydrophobicContact CD1-CG1 4.39Å; V376-I378 HydrophobicContact CG1-CD1 3.6Å; V376-I378 HydrophobicContact CG1-CG1 4.09Å; I378-T382 HydrophobicContact CG2-CG2 3.8Å; I378-I397 HydrophobicContact CD1-CD1 3.91Å; I378-V403 HydrophobicContact CD1-CB 4.08Å; I378-V403 HydrophobicContact CD1-CG2 3.7Å
379	G	98.5	Very high	98.5	Very high	7 Å²	7	38.2 Å²	38.2	7%	0.072	22%	0.221	C	C	.	.			trans	-65.5	154.3	179.4	0	0	0	0	0	113.4	T365 G381 T382 V403	T365-G379 PolarHBondContact OG1-O 3.2Å; G379-G381 PolarHBondContact O-N 3.46Å; G379-T382 WeakPolarHBondContact O-CB 3.5Å; G379-T382 PolarHBondContact O-N 3.13Å; G379-T382 PolarHBondContact O-OG1 2.81Å; G379-V403 VanDerWaalsContact CA-O 3.29Å; G379-V403 WeakPolarHBondContact CA-O 3.24Å; G379-V403 PolarHBondContact N-O 2.79Å
380	A	98.5	Very high	98.4	Very high	32 Å²	32	40.5 Å²	40.5	26%	0.264	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	138.5	178.3	0	0	0	0	0	112.2	H363 T382 S405 D406	H363-A380 HydrophobicContact CB-CB 3.85Å; H363-A380 VanDerWaalsContact O-CA 3.28Å; H363-A380 WeakPolarHBondContact O-CA 3.13Å; A380-T382 VanDerWaalsContact C-N 3.29Å; A380-S405 CarbonylContact O-C 3.55Å; A380-S405 WeakPolarHBondContact O-CA 3.32Å; A380-S405 VanDerWaalsContact O-CB 3.22Å; A380-S405 WeakPolarHBondContact O-CB 3.38Å; A380-D406 PolarHBondContact O-N 2.83Å
381	G	98.4	Very high	98.3	Very high	17 Å²	17	45 Å²	45	18%	0.175	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.6	-0.7	-179.5	0	0	0	0	0	114.3	H363 L364 G379 I383	H363-G381 PolarHBondContact O-N 3.38Å; L364-G381 WeakPolarHBondContact O-CA 3.26Å; L364-G381 PolarHBondContact O-N 2.83Å; G379-G381 PolarHBondContact O-N 3.46Å; G381-I383 PolarHBondContact O-N 3.38Å
382	T	98.8	Very high	98.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.275	C	S	.	.			trans	-64.8	136.8	176.1	-63.6	0	0	0	0	111.4	T365 Y366 I378 G379 A380 V403 G404 T407 L409	T365-T382 VanDerWaalsContact CA-O 3.26Å; T365-T382 WeakPolarHBondContact CA-O 3.44Å; T365-T382 WeakPolarHBondContact CB-O 3.13Å; T365-T382 WeakPolarHBondContact CG2-O 3.49Å; T365-T382 PolarHBondContact OG1-N 2.71Å; T365-T382 PolarHBondContact OG1-O 2.92Å; Y366-T382 PolarHBondContact N-O 2.81Å; Y366-T382 VanDerWaalsContact N-O 3.08Å; I378-T382 HydrophobicContact CG2-CG2 3.8Å; G379-T382 WeakPolarHBondContact O-CB 3.5Å; G379-T382 PolarHBondContact O-N 3.13Å; G379-T382 PolarHBondContact O-OG1 2.81Å; A380-T382 VanDerWaalsContact C-N 3.29Å; T382-V403 HydrophobicContact CG2-CG1 3.91Å; T382-G404 PolarHBondContact OG1-O 2.91Å; T382-T407 VanDerWaalsContact CA-O 3.24Å; T382-T407 WeakPolarHBondContact CA-O 3.36Å; T382-L409 HydrophobicContact CG2-CD1 4.11Å; T382-L409 HydrophobicContact CG2-CG 4.48Å
383	I	98.8	Very high	98.2	Very high	70 Å²	70	50.5 Å²	50.5	36%	0.359	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	125.7	179.3	-63.8	172.1	0	0	0	109.3	Y366 G381 C385 T407 Q408 L409	Y366-I383 HydrophobicContact CD1-CG2 4.16Å; G381-I383 PolarHBondContact O-N 3.38Å; I383-C385 PolarHBondContact O-N 2.82Å; I383-T407 PolarHBondContact N-O 2.86Å; I383-Q408 WeakPolarHBondContact O-CA 3.27Å; I383-L409 PolarHBondContact O-N 3.46Å
384	T	98.8	Very high	98.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	105.2	163.3	56.2	0	0	0	0	109.5	Y366 L367 G368 A370 N386 T395 L409	Y366-T384 WeakPolarHBondContact CD1-O 3.42Å; Y366-T384 VanDerWaalsContact CE1-O 3.32Å; Y366-T384 WeakPolarHBondContact CE1-O 3.35Å; Y366-T384 PolarHBondContact O-N 3.43Å; Y366-T384 PolarHBondContact O-OG1 2.87Å; L367-T384 HydrophobicContact CD2-CG2 4Å; G368-T384 PolarHBondContact N-OG1 3.04Å; G368-T384 PolarHBondContact O-OG1 2.87Å; A370-T384 HydrophobicContact CB-CG2 4.29Å; T384-N386 VanDerWaalsContact C-N 3.33Å; T384-N386 PolarHBondContact O-N 3.34Å; T384-T395 HydrophobicContact CG2-CG2 4.15Å; T384-L409 CarbonylContact C-O 3.59Å; T384-L409 HydrophobicContact CG2-CB 4.49Å; T384-L409 HydrophobicContact CG2-CD1 4.21Å
385	C	98.5	Very high	98.2	Very high	50 Å²	50	53 Å²	53	34%	0.338	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	85	174.1	-59.3	0	0	0	0	108.8	I383 L409 V410 A411	I383-C385 PolarHBondContact O-N 2.82Å; C385-L409 PolarHBondContact N-O 2.9Å; C385-V410 HydrophobicContact CB-CG2 4.38Å; C385-A411 PolarHBondContact O-N 2.71Å
386	N	98.2	Very high	98.2	Very high	11 Å²	11	51.6 Å²	51.6	6%	0.059	29%	0.287	C	S	.	.			trans	-91.8	-4.7	-170.5	64.2	-21.2	0	0	0	115.1	Y366 D369 T384 K392 F393	Y366-N386 PolarHBondContact OH-ND2 2.84Å; Y366-N386 VanDerWaalsContact OH-ND2 3.13Å; D369-N386 HydrophobicContact CB-CB 4.43Å; D369-N386 PolarHBondContact OD2-ND2 2.9Å; T384-N386 VanDerWaalsContact C-N 3.33Å; T384-N386 PolarHBondContact O-N 3.34Å; N386-K392 CarbonylContact O-C 3.57Å; N386-K392 WeakPolarHBondContact O-CA 3.39Å; N386-F393 PolarHBondContact O-N 3.31Å
387	Y	97.9	Very high	98.2	Very high	138 Å²	138	51.7 Å²	51.7	54%	0.541	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-127.3	129.9	-170.5	178.9	-122.8	0	0	0	111.5	G389 N391 K392	Y387-G389 VanDerWaalsContact CE2-C 3.44Å; Y387-G389 PolarHBondContact OH-O 3.39Å; Y387-N391 VanDerWaalsContact CD2-O 3.3Å; Y387-N391 WeakPolarHBondContact CD2-O 3.42Å; Y387-K392 HydrophobicContact CD2-CG 4.04Å
388	D	96.5	Very high	98.2	Very high	102 Å²	102	49.2 Å²	49.2	55%	0.545	28%	0.279	S	S	.	.			trans	-98.5	-1.6	-178.9	71	-9.2	0	0	0	114.1	A390 N391 F393	D388-A390 WeakPolarHBondContact OD1-CA 3.29Å; D388-A390 PolarHBondContact OD1-N 3.32Å; D388-N391 PolarHBondContact N-O 2.85Å; D388-N391 PolarHBondContact OD1-N 3.5Å; D388-F393 HydrophobicContact CB-CE2 4.08Å; D388-F393 WeakPolarHBondContact OD2-CE2 3.29Å
389	G	96.9	Very high	98.2	Very high	50 Å²	50	51.8 Å²	51.8	52%	0.515	29%	0.293	S	S	.	.	S	Bend	trans	106.5	-12.4	-170.7	0	0	0	0	0	114.3	Y387	Y387-G389 VanDerWaalsContact CE2-C 3.44Å; Y387-G389 PolarHBondContact OH-O 3.39Å
390	A	96.9	Very high	98.2	Very high	73 Å²	73	55 Å²	55	60%	0.603	31%	0.308	S	S	*	.	S	Bend	trans	-133	-49.7	177.6	0	0	0	0	0	112.6	D388	D388-A390 WeakPolarHBondContact OD1-CA 3.29Å; D388-A390 PolarHBondContact OD1-N 3.32Å
391	N	97.5	Very high	98.3	Very high	98 Å²	98	53.6 Å²	53.6	52%	0.524	30%	0.296	S	S	.	.			trans	-123.8	161.4	-173	-64.2	-67	0	0	0	111.9	Y387 D388 F393	Y387-N391 VanDerWaalsContact CD2-O 3.3Å; Y387-N391 WeakPolarHBondContact CD2-O 3.42Å; D388-N391 PolarHBondContact N-O 2.85Å; D388-N391 PolarHBondContact OD1-N 3.5Å; N391-F393 HydrophobicContact CB-CE1 4.46Å; N391-F393 HydrophobicContact CB-CE2 3.87Å; N391-F393 HydrophobicContact CB-CZ 3.72Å
392	K	97.1	Very high	98.3	Very high	99 Å²	99	57.4 Å²	57.4	43%	0.43	31%	0.308	S	S	.	.	B	Isolated β-bridge	trans	-109.3	139.4	173.7	-62.6	-168.9	175.7	-158	0	111.8	N386 Y387	N386-K392 CarbonylContact O-C 3.57Å; N386-K392 WeakPolarHBondContact O-CA 3.39Å; Y387-K392 HydrophobicContact CD2-CG 4.04Å
393	F	98.5	Very high	98.3	Very high	71 Å²	71	57.4 Å²	57.4	31%	0.311	31%	0.308	S	S	.	.			trans	-125.3	152.8	-176.1	-56.1	-84.7	0	0	0	110.9	N386 D388 N391 A411 P412	N386-F393 PolarHBondContact O-N 3.31Å; D388-F393 HydrophobicContact CB-CE2 4.08Å; D388-F393 WeakPolarHBondContact OD2-CE2 3.29Å; N391-F393 HydrophobicContact CB-CE1 4.46Å; N391-F393 HydrophobicContact CB-CE2 3.87Å; N391-F393 HydrophobicContact CB-CZ 3.72Å; F393-A411 HydrophobicContact CB-CB 3.73Å; F393-A411 VanDerWaalsContact O-CB 3.31Å; F393-A411 WeakPolarHBondContact O-CB 3.3Å; F393-P412 HydrophobicContact CB-CB 4.12Å; F393-P412 HydrophobicContact CB-CG 4.44Å; F393-P412 HydrophobicContact CD1-CG 4.41Å
394	K	98.5	Very high	98.2	Very high	117 Å²	117	54.1 Å²	54.1	51%	0.509	29%	0.292	S	S	.	.			trans	-83.4	143.6	-176.8	-73.6	-171.1	171.4	-171.1	0	113.1	D369 E371 P412 V413	D369-K394 WeakPolarHBondContact O-CA 3.22Å; E371-K394 IonicContact OE1-NZ 3.79Å; E371-K394 PolarHBondContact OE1-NZ 3.46Å; K394-P412 WeakPolarHBondContact O-CA 3.42Å; K394-V413 PolarHBondContact O-N 3.26Å
395	T	98.9	Very high	98.2	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	129.7	162.6	-59.9	0	0	0	0	109	D369 A370 E371 T384 I397 L409 V413	D369-T395 PolarHBondContact O-N 2.84Å; D369-T395 VanDerWaalsContact O-N 3.09Å; A370-T395 CarbonylContact C-O 3.49Å; A370-T395 VanDerWaalsContact CA-O 3.27Å; A370-T395 WeakPolarHBondContact CA-O 3.47Å; E371-T395 PolarHBondContact N-O 2.81Å; T384-T395 HydrophobicContact CG2-CG2 4.15Å; T395-I397 HydrophobicContact CG2-CD1 4.42Å; T395-I397 HydrophobicContact CG2-CG1 4.12Å; T395-L409 HydrophobicContact CG2-CB 4.03Å; T395-L409 HydrophobicContact CG2-CD1 3.96Å; T395-V413 HydrophobicContact CG2-CG1 3.97Å
396	I	98.9	Very high	98.2	Very high	71 Å²	71	59 Å²	59	36%	0.364	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	125.9	179.6	-59.5	171	0	0	0	108.4	E371 V413 T414 V415	E371-I396 CarbonylContact O-C 3.6Å; E371-I396 WeakPolarHBondContact O-CA 3.11Å; I396-V413 PolarHBondContact N-O 3.21Å; I396-T414 HydrophobicContact CB-CG2 4.2Å; I396-T414 HydrophobicContact CG2-CG2 4.15Å; I396-T414 CarbonylContact O-C 3.58Å; I396-T414 VanDerWaalsContact O-CA 3.28Å; I396-T414 WeakPolarHBondContact O-CA 3.32Å; I396-V415 PolarHBondContact O-N 2.99Å
397	I	98.9	Very high	98.2	Very high	4 Å²	4	58.4 Å²	58.4	2%	0.021	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	121.7	178.6	-53.4	-178.7	0	0	0	107.9	E371 I372 G373 V376 I378 T395 V401 V403 L409 V415	E371-I397 PolarHBondContact O-N 3.03Å; I372-I397 CarbonylContact C-O 3.41Å; I372-I397 HydrophobicContact CD1-CD1 4.38Å; I372-I397 HydrophobicContact CG1-CB 4.37Å; I372-I397 HydrophobicContact CG1-CD1 4.09Å; I372-I397 HydrophobicContact CG1-CG1 4.41Å; I372-I397 HydrophobicContact CG2-CB 4.26Å; I372-I397 HydrophobicContact CG2-CG2 4.44Å; G373-I397 PolarHBondContact N-O 3.4Å; V376-I397 HydrophobicContact CG1-CG2 4.05Å; V376-I397 HydrophobicContact CG2-CG2 4.24Å; I378-I397 HydrophobicContact CD1-CD1 3.91Å; T395-I397 HydrophobicContact CG2-CD1 4.42Å; T395-I397 HydrophobicContact CG2-CG1 4.12Å; I397-V401 HydrophobicContact CG2-CB 3.64Å; I397-V401 HydrophobicContact CG2-CG1 3.68Å; I397-V401 HydrophobicContact CG2-CG2 3.79Å; I397-V403 HydrophobicContact CD1-CG2 4.35Å; I397-L409 HydrophobicContact CD1-CD1 3.74Å; I397-V415 HydrophobicContact CG2-CB 4.37Å
398	G	98.8	Very high	98.3	Very high	20 Å²	20	54 Å²	54	21%	0.206	30%	0.3	C	S	.	.			trans	-72.4	-177.9	177	0	0	0	0	0	113.4	V376 V401 V415	V376-G398 WeakPolarHBondContact CG2-O 3.26Å; G398-V401 VanDerWaalsContact O-CG2 3.3Å; G398-V401 WeakPolarHBondContact O-CG2 3.15Å; G398-V415 PolarHBondContact N-O 2.9Å
399	D	98.8	Very high	98.4	Very high	57 Å²	57	49.1 Å²	49.1	31%	0.305	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	158.5	-179.9	-49	-37.8	0	0	0	112.3	G373 D374 V401 K417 G418	G373-D399 VanDerWaalsContact CA-OD1 3.29Å; G373-D399 WeakPolarHBondContact CA-OD1 3.22Å; D374-D399 PolarHBondContact N-OD1 2.92Å; D374-D399 CarbonylContact O-C 3.31Å; D374-D399 VanDerWaalsContact O-CA 3.27Å; D374-D399 WeakPolarHBondContact O-CA 3.4Å; D399-V401 PolarHBondContact O-N 2.86Å; D399-K417 HydrophobicContact CB-CD 4.41Å; D399-K417 HydrophobicContact CB-CG 4.3Å; D399-K417 CarbonylContact O-C 3.57Å; D399-K417 VanDerWaalsContact O-CA 3.29Å; D399-K417 WeakPolarHBondContact O-CA 3.35Å; D399-K417 WeakPolarHBondContact O-CG 3.32Å; D399-G418 PolarHBondContact O-N 2.8Å
400	D	98.8	Very high	98.5	Very high	76 Å²	76	49.3 Å²	49.3	41%	0.406	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	24.7	171.8	-50.8	-60.3	0	0	0	113.7	D374 N375 K417 G418	D374-D400 PolarHBondContact O-N 3.22Å; N375-D400 WeakPolarHBondContact CB-OD1 3.36Å; N375-D400 PolarHBondContact ND2-OD1 3.43Å; D400-K417 VanDerWaalsContact OD2-CE 3.22Å; D400-K417 WeakPolarHBondContact OD2-CE 3.49Å; D400-K417 IonicContact OD2-NZ 2.71Å; D400-G418 WeakPolarHBondContact O-CA 3.34Å
401	V	98.9	Very high	98.5	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.012	24%	0.242	C	C	.	.			trans	-82.9	140.1	179.4	172.6	0	0	0	0	111	V376 N377 I397 G398 D399 V403 V415 G416 A419	V376-V401 WeakPolarHBondContact CA-O 3.46Å; V376-V401 HydrophobicContact CG1-CB 4.2Å; V376-V401 WeakPolarHBondContact CG1-O 3.27Å; V376-V401 HydrophobicContact CG2-CB 4.21Å; N377-V401 PolarHBondContact N-O 3.01Å; I397-V401 HydrophobicContact CG2-CB 3.64Å; I397-V401 HydrophobicContact CG2-CG1 3.68Å; I397-V401 HydrophobicContact CG2-CG2 3.79Å; G398-V401 VanDerWaalsContact O-CG2 3.3Å; G398-V401 WeakPolarHBondContact O-CG2 3.15Å; D399-V401 PolarHBondContact O-N 2.86Å; V401-V403 HydrophobicContact CG1-CG2 3.87Å; V401-V415 HydrophobicContact CG1-CG1 3.72Å; V401-V415 HydrophobicContact CG2-CG1 4.04Å; V401-G416 WeakPolarHBondContact CG2-O 3.18Å; V401-A419 WeakPolarHBondContact CA-O 3.38Å; V401-A419 HydrophobicContact CG2-CB 4.37Å
402	F	98.8	Very high	98.6	Very high	96 Å²	96	46.1 Å²	46.1	42%	0.421	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	118.2	166.8	-173.1	-85.7	0	0	0	110.3	N377 A419 T420 I421	N377-F402 HydrophobicContact CB-CD2 3.88Å; N377-F402 HydrophobicContact CB-CE2 4.28Å; F402-A419 PolarHBondContact N-O 2.69Å; F402-T420 HydrophobicContact CB-CG2 4.42Å; F402-T420 HydrophobicContact CD1-CG2 4.21Å; F402-T420 CarbonylContact O-C 3.6Å; F402-T420 WeakPolarHBondContact O-CA 3.42Å; F402-I421 PolarHBondContact O-N 3.41Å
403	V	98.8	Very high	98.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	113.6	172.3	-174.1	0	0	0	0	109.1	N377 I378 G379 T382 I397 V401 T407 I421	N377-V403 PolarHBondContact O-N 2.97Å; I378-V403 HydrophobicContact CD1-CB 4.08Å; I378-V403 HydrophobicContact CD1-CG2 3.7Å; G379-V403 VanDerWaalsContact CA-O 3.29Å; G379-V403 WeakPolarHBondContact CA-O 3.24Å; G379-V403 PolarHBondContact N-O 2.79Å; T382-V403 HydrophobicContact CG2-CG1 3.91Å; I397-V403 HydrophobicContact CD1-CG2 4.35Å; V401-V403 HydrophobicContact CG1-CG2 3.87Å; V403-T407 HydrophobicContact CG1-CG2 3.6Å; V403-I421 HydrophobicContact CG1-CB 4.49Å; V403-I421 HydrophobicContact CG2-CG1 4.48Å
404	G	98.2	Very high	98.7	Very high	2 Å²	2	40.7 Å²	40.7	2%	0.021	23%	0.226	C	C	.	.			trans	-62.3	157.8	178.2	0	0	0	0	0	113.3	T382 T407 I421	T382-G404 PolarHBondContact OG1-O 2.91Å; G404-T407 WeakPolarHBondContact O-CB 3.48Å; G404-T407 PolarHBondContact O-OG1 2.96Å; G404-I421 VanDerWaalsContact CA-O 3.32Å; G404-I421 WeakPolarHBondContact CA-O 3.3Å; G404-I421 PolarHBondContact N-O 3.15Å
405	S	98.3	Very high	98.7	Very high	58 Å²	58	35.1 Å²	35.1	41%	0.406	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	148.4	179.3	-57.2	0	0	0	0	112.8	A380 T407 A423 G424	A380-S405 CarbonylContact O-C 3.55Å; A380-S405 WeakPolarHBondContact O-CA 3.32Å; A380-S405 VanDerWaalsContact O-CB 3.22Å; A380-S405 WeakPolarHBondContact O-CB 3.38Å; S405-T407 PolarHBondContact O-N 2.79Å; S405-A423 CarbonylContact O-C 3.5Å; S405-A423 WeakPolarHBondContact O-CA 3.38Å; S405-A423 WeakPolarHBondContact O-CB 3.32Å; S405-G424 PolarHBondContact O-N 2.79Å
406	D	98.3	Very high	98.7	Very high	93 Å²	93	36 Å²	36	50%	0.497	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	33.6	178	-160.1	37.3	0	0	0	113.5	A380 Q408 G424	A380-D406 PolarHBondContact O-N 2.83Å; D406-Q408 PolarHBondContact O-NE2 2.9Å; D406-G424 WeakPolarHBondContact O-CA 3.31Å
407	T	98.7	Very high	98.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.213	C	C	.	.			trans	-86.8	134.4	172.6	-84.7	0	0	0	0	111.2	T382 I383 V403 G404 S405 L409 I421 A422 T425 V427	T382-T407 VanDerWaalsContact CA-O 3.24Å; T382-T407 WeakPolarHBondContact CA-O 3.36Å; I383-T407 PolarHBondContact N-O 2.86Å; V403-T407 HydrophobicContact CG1-CG2 3.6Å; G404-T407 WeakPolarHBondContact O-CB 3.48Å; G404-T407 PolarHBondContact O-OG1 2.96Å; S405-T407 PolarHBondContact O-N 2.79Å; T407-L409 HydrophobicContact CG2-CD2 3.67Å; T407-L409 HydrophobicContact CG2-CG 4.03Å; T407-I421 HydrophobicContact CG2-CG2 3.96Å; T407-A422 PolarHBondContact OG1-O 2.8Å; T407-T425 VanDerWaalsContact CA-O 3.27Å; T407-T425 WeakPolarHBondContact CA-O 3.13Å; T407-T425 WeakPolarHBondContact CB-O 3.39Å; T407-T425 WeakPolarHBondContact CG2-O 3.36Å; T407-T425 PolarHBondContact OG1-O 2.91Å; T407-V427 HydrophobicContact CG2-CG2 4.14Å
408	Q	98.7	Very high	98.7	Very high	45 Å²	45	38 Å²	38	21%	0.21	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	124.4	170.5	-51	78.3	32.3	0	0	109.4	I383 D406 T425 T426 V427	I383-Q408 WeakPolarHBondContact O-CA 3.27Å; D406-Q408 PolarHBondContact O-NE2 2.9Å; Q408-T425 PolarHBondContact N-O 2.76Å; Q408-T425 VanDerWaalsContact N-O 3.15Å; Q408-T426 HydrophobicContact CB-CG2 4.38Å; Q408-T426 PolarHBondContact OE1-OG1 3.46Å; Q408-V427 PolarHBondContact O-N 3.09Å
409	L	98.8	Very high	98.7	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	105.1	177.2	-57.1	170.6	0	0	0	108	T382 I383 T384 C385 T395 I397 T407 A411 V413 V427	T382-L409 HydrophobicContact CG2-CD1 4.11Å; T382-L409 HydrophobicContact CG2-CG 4.48Å; I383-L409 PolarHBondContact O-N 3.46Å; T384-L409 CarbonylContact C-O 3.59Å; T384-L409 HydrophobicContact CG2-CB 4.49Å; T384-L409 HydrophobicContact CG2-CD1 4.21Å; C385-L409 PolarHBondContact N-O 2.9Å; T395-L409 HydrophobicContact CG2-CB 4.03Å; T395-L409 HydrophobicContact CG2-CD1 3.96Å; I397-L409 HydrophobicContact CD1-CD1 3.74Å; T407-L409 HydrophobicContact CG2-CD2 3.67Å; T407-L409 HydrophobicContact CG2-CG 4.03Å; L409-A411 PolarHBondContact O-N 3.07Å; L409-V413 HydrophobicContact CB-CG1 4.29Å; L409-V427 HydrophobicContact CD2-CB 3.9Å; L409-V427 HydrophobicContact CD2-CG2 3.8Å
410	V	98.7	Very high	98.7	Very high	53 Å²	53	37.2 Å²	37.2	32%	0.321	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	106.1	-174.6	-175.4	0	0	0	0	109.6	C385 V413 T426 V427 T428	C385-V410 HydrophobicContact CB-CG2 4.38Å; V410-V413 WeakPolarHBondContact O-CB 3.28Å; V410-V413 WeakPolarHBondContact O-CG1 3.41Å; V410-T426 HydrophobicContact CG2-CG2 4.08Å; V410-V427 PolarHBondContact N-O 2.9Å; V410-T428 HydrophobicContact CB-CG2 4.17Å; V410-T428 HydrophobicContact CG2-CG2 3.96Å
411	A	98.6	Very high	98.7	Very high	13 Å²	13	33.6 Å²	33.6	11%	0.107	20%	0.197	C	C	.	.	S	Bend	trans	-72.5	150.5	-178.8	0	0	0	0	0	111.9	C385 F393 L409	C385-A411 PolarHBondContact O-N 2.71Å; F393-A411 HydrophobicContact CB-CB 3.73Å; F393-A411 VanDerWaalsContact O-CB 3.31Å; F393-A411 WeakPolarHBondContact O-CB 3.3Å; L409-A411 PolarHBondContact O-N 3.07Å
412	P	98.5	Very high	98.6	Very high	91 Å²	91	34.7 Å²	34.7	59%	0.591	21%	0.205	S	C	*	.	S	Bend	cis	-74.8	129.9	-4	30	-32.9	0	0	0	112.3	F393 K394	F393-P412 HydrophobicContact CB-CB 4.12Å; F393-P412 HydrophobicContact CB-CG 4.44Å; F393-P412 HydrophobicContact CD1-CG 4.41Å; K394-P412 WeakPolarHBondContact O-CA 3.42Å
413	V	98.7	Very high	98.6	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	142.9	178	68.2	0	0	0	0	112.2	K394 T395 I396 L409 V410 V427 R429	K394-V413 PolarHBondContact O-N 3.26Å; T395-V413 HydrophobicContact CG2-CG1 3.97Å; I396-V413 PolarHBondContact N-O 3.21Å; L409-V413 HydrophobicContact CB-CG1 4.29Å; V410-V413 WeakPolarHBondContact O-CB 3.28Å; V410-V413 WeakPolarHBondContact O-CG1 3.41Å; V413-V427 HydrophobicContact CG2-CG1 3.95Å; V413-R429 WeakPolarHBondContact CG2-O 3.18Å
414	T	98.9	Very high	98.5	Very high	54 Å²	54	35 Å²	35	33%	0.331	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	130.3	176.1	-56.5	0	0	0	0	111.1	I396 N430 V431	I396-T414 HydrophobicContact CB-CG2 4.2Å; I396-T414 HydrophobicContact CG2-CG2 4.15Å; I396-T414 CarbonylContact O-C 3.58Å; I396-T414 VanDerWaalsContact O-CA 3.28Å; I396-T414 WeakPolarHBondContact O-CA 3.32Å; T414-N430 PolarHBondContact N-OD1 3.3Å; T414-N430 CarbonylContact O-C 3.58Å; T414-N430 WeakPolarHBondContact O-CA 3.35Å; T414-N430 WeakPolarHBondContact O-CB 3.18Å; T414-V431 PolarHBondContact O-N 3.41Å
415	V	98.8	Very high	98.5	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.006	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	115.7	172.4	-178.8	0	0	0	0	108.4	I396 I397 G398 V401 A419 I421 V431	I396-V415 PolarHBondContact O-N 2.99Å; I397-V415 HydrophobicContact CG2-CB 4.37Å; G398-V415 PolarHBondContact N-O 2.9Å; V401-V415 HydrophobicContact CG1-CG1 3.72Å; V401-V415 HydrophobicContact CG2-CG1 4.04Å; V415-A419 HydrophobicContact CG1-CB 3.67Å; V415-I421 HydrophobicContact CG1-CD1 4.19Å; V415-I421 HydrophobicContact CG1-CG1 4.47Å; V415-V431 HydrophobicContact CG1-CB 4.26Å; V415-V431 HydrophobicContact CG2-CB 4.47Å
416	G	98.7	Very high	98.5	Very high	18 Å²	18	36.2 Å²	36.2	19%	0.186	23%	0.234	C	C	.	.			trans	-67.7	161.2	-177.4	0	0	0	0	0	113.3	V401 A419 V431	V401-G416 WeakPolarHBondContact CG2-O 3.18Å; G416-A419 WeakPolarHBondContact O-CB 3.45Å; G416-A419 PolarHBondContact O-N 3.18Å; G416-V431 PolarHBondContact N-O 2.93Å
417	K	98.8	Very high	98.5	Very high	97 Å²	97	32 Å²	32	42%	0.422	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	141.8	178.3	174.6	174.9	-176.3	166.3	0	111.9	D399 D400 A419 E433 N434	D399-K417 HydrophobicContact CB-CD 4.41Å; D399-K417 HydrophobicContact CB-CG 4.3Å; D399-K417 CarbonylContact O-C 3.57Å; D399-K417 VanDerWaalsContact O-CA 3.29Å; D399-K417 WeakPolarHBondContact O-CA 3.35Å; D399-K417 WeakPolarHBondContact O-CG 3.32Å; D400-K417 VanDerWaalsContact OD2-CE 3.22Å; D400-K417 WeakPolarHBondContact OD2-CE 3.49Å; D400-K417 IonicContact OD2-NZ 2.71Å; K417-A419 PolarHBondContact O-N 2.86Å; K417-E433 HydrophobicContact CB-CG 4.14Å; K417-E433 CarbonylContact O-C 3.5Å; K417-E433 WeakPolarHBondContact O-CA 3.2Å; K417-E433 WeakPolarHBondContact O-CG 3.45Å; K417-N434 PolarHBondContact O-N 2.84Å
418	G	98.6	Very high	98.5	Very high	21 Å²	21	36.4 Å²	36.4	22%	0.216	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	5.5	176	0	0	0	0	0	114.9	D399 D400	D399-G418 PolarHBondContact O-N 2.8Å; D400-G418 WeakPolarHBondContact O-CA 3.34Å
419	A	98.8	Very high	98.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	27%	0.266	C	S	.	.			trans	-68.2	152	179.4	0	0	0	0	0	111.8	V401 F402 V415 G416 K417 V431 A435	V401-A419 WeakPolarHBondContact CA-O 3.38Å; V401-A419 HydrophobicContact CG2-CB 4.37Å; F402-A419 PolarHBondContact N-O 2.69Å; V415-A419 HydrophobicContact CG1-CB 3.67Å; G416-A419 WeakPolarHBondContact O-CB 3.45Å; G416-A419 PolarHBondContact O-N 3.18Å; K417-A419 PolarHBondContact O-N 2.86Å; A419-V431 HydrophobicContact CB-CG1 3.91Å; A419-A435 CarbonylContact C-O 3.54Å; A419-A435 WeakPolarHBondContact CA-O 3.37Å
420	T	98.8	Very high	98.4	Very high	60 Å²	60	49.5 Å²	49.5	37%	0.368	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	124.3	172.3	-59.5	0	0	0	0	109.3	F402 A435 L436 A437	F402-T420 HydrophobicContact CB-CG2 4.42Å; F402-T420 HydrophobicContact CD1-CG2 4.21Å; F402-T420 CarbonylContact O-C 3.6Å; F402-T420 WeakPolarHBondContact O-CA 3.42Å; T420-A435 PolarHBondContact N-O 3.2Å; T420-L436 HydrophobicContact CG2-CD1 3.84Å; T420-L436 CarbonylContact O-C 3.57Å; T420-L436 VanDerWaalsContact O-CA 3.32Å; T420-L436 WeakPolarHBondContact O-CA 3.45Å; T420-L436 WeakPolarHBondContact O-CD1 3.26Å; T420-A437 PolarHBondContact O-N 3.26Å
421	I	98.7	Very high	98.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	123	170.8	-45.1	-60.2	0	0	0	107.7	F402 V403 G404 T407 V415 T425 V427 V431 A437	F402-I421 PolarHBondContact O-N 3.41Å; V403-I421 HydrophobicContact CG1-CB 4.49Å; V403-I421 HydrophobicContact CG2-CG1 4.48Å; G404-I421 VanDerWaalsContact CA-O 3.32Å; G404-I421 WeakPolarHBondContact CA-O 3.3Å; G404-I421 PolarHBondContact N-O 3.15Å; T407-I421 HydrophobicContact CG2-CG2 3.96Å; V415-I421 HydrophobicContact CG1-CD1 4.19Å; V415-I421 HydrophobicContact CG1-CG1 4.47Å; I421-T425 HydrophobicContact CG2-CG2 3.99Å; I421-V427 HydrophobicContact CD1-CG2 4.34Å; I421-V427 HydrophobicContact CG2-CG2 3.7Å; I421-V431 HydrophobicContact CD1-CB 4.15Å; I421-V431 HydrophobicContact CD1-CG1 3.9Å; I421-V431 HydrophobicContact CD1-CG2 3.75Å; I421-A437 HydrophobicContact CD1-CB 3.67Å
422	A	98	Very high	98.4	Very high	24 Å²	24	49.3 Å²	49.3	20%	0.198	30%	0.301	C	S	.	.			trans	-71.7	153.7	176.2	0	0	0	0	0	111.3	T407 T425 A437 I438	T407-A422 PolarHBondContact OG1-O 2.8Å; A422-T425 WeakPolarHBondContact O-CB 3.19Å; A422-T425 PolarHBondContact O-N 3.02Å; A422-T425 PolarHBondContact O-OG1 2.76Å; A422-A437 PolarHBondContact N-O 2.82Å; A422-I438 HydrophobicContact CB-CB 3.86Å; A422-I438 HydrophobicContact CB-CD1 4.07Å; A422-I438 HydrophobicContact CB-CG1 3.72Å
423	A	98	Very high	98.4	Very high	68 Å²	68	51.2 Å²	51.2	56%	0.562	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	149.4	178.1	0	0	0	0	0	112.9	S405 T425	S405-A423 CarbonylContact O-C 3.5Å; S405-A423 WeakPolarHBondContact O-CA 3.38Å; S405-A423 WeakPolarHBondContact O-CB 3.32Å; A423-T425 PolarHBondContact O-N 3.32Å
424	G	97.5	Very high	98.4	Very high	35 Å²	35	56.7 Å²	56.7	36%	0.361	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	15.1	-179.9	0	0	0	0	0	114.3	S405 D406	S405-G424 PolarHBondContact O-N 2.79Å; D406-G424 WeakPolarHBondContact O-CA 3.31Å
425	T	98.3	Very high	98.4	Very high	8 Å²	8	55.8 Å²	55.8	5%	0.049	33%	0.329	C	S	.	.			trans	-86.8	129.8	-179.4	-59	0	0	0	0	110.9	T407 Q408 I421 A422 A423 V427 S439	T407-T425 VanDerWaalsContact CA-O 3.27Å; T407-T425 WeakPolarHBondContact CA-O 3.13Å; T407-T425 WeakPolarHBondContact CB-O 3.39Å; T407-T425 WeakPolarHBondContact CG2-O 3.36Å; T407-T425 PolarHBondContact OG1-O 2.91Å; Q408-T425 PolarHBondContact N-O 2.76Å; Q408-T425 VanDerWaalsContact N-O 3.15Å; I421-T425 HydrophobicContact CG2-CG2 3.99Å; A422-T425 WeakPolarHBondContact O-CB 3.19Å; A422-T425 PolarHBondContact O-N 3.02Å; A422-T425 PolarHBondContact O-OG1 2.76Å; A423-T425 PolarHBondContact O-N 3.32Å; T425-V427 HydrophobicContact CG2-CG2 3.95Å; T425-S439 PolarHBondContact OG1-N 2.85Å
426	T	98.2	Very high	98.3	Very high	77 Å²	77	61.4 Å²	61.4	47%	0.472	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	109.3	166.6	-50.1	0	0	0	0	109.4	Q408 V410 T428	Q408-T426 HydrophobicContact CB-CG2 4.38Å; Q408-T426 PolarHBondContact OE1-OG1 3.46Å; V410-T426 HydrophobicContact CG2-CG2 4.08Å; T426-T428 HydrophobicContact CG2-CG2 4.11Å
427	V	98.3	Very high	98.3	Very high	6 Å²	6	61.5 Å²	61.5	4%	0.036	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	110.8	-177.2	-171.2	0	0	0	0	109.5	T407 Q408 L409 V410 V413 I421 T425 R429 V431	T407-V427 HydrophobicContact CG2-CG2 4.14Å; Q408-V427 PolarHBondContact O-N 3.09Å; L409-V427 HydrophobicContact CD2-CB 3.9Å; L409-V427 HydrophobicContact CD2-CG2 3.8Å; V410-V427 PolarHBondContact N-O 2.9Å; V413-V427 HydrophobicContact CG2-CG1 3.95Å; I421-V427 HydrophobicContact CD1-CG2 4.34Å; I421-V427 HydrophobicContact CG2-CG2 3.7Å; T425-V427 HydrophobicContact CG2-CG2 3.95Å; V427-R429 WeakPolarHBondContact CG1-O 3.17Å; V427-V431 HydrophobicContact CG1-CG2 3.75Å
428	T	97.7	Very high	98.2	Very high	92 Å²	92	61.8 Å²	61.8	56%	0.564	36%	0.363	S	S	*	.			trans	-116.7	-3.8	-179	57.4	0	0	0	0	113.9	V410 T426	V410-T428 HydrophobicContact CB-CG2 4.17Å; V410-T428 HydrophobicContact CG2-CG2 3.96Å; T426-T428 HydrophobicContact CG2-CG2 4.11Å
429	R	97.9	Very high	97.8	Very high	207 Å²	207	63.4 Å²	63.4	78%	0.781	37%	0.371	S	S	*	.	S	Bend	trans	-134.2	154.8	177.8	-64.1	-174.2	-179.3	-155.1	-0.6	108.8	V413 V427 V431	V413-R429 WeakPolarHBondContact CG2-O 3.18Å; V427-R429 WeakPolarHBondContact CG1-O 3.17Å; R429-V431 PolarHBondContact O-N 2.9Å
430	N	98.6	Very high	97.1	Very high	113 Å²	113	74.1 Å²	74.1	60%	0.604	41%	0.411	S	S	*	.			trans	-56.2	140.9	177.3	-66.8	-7	0	0	0	111.2	T414	T414-N430 PolarHBondContact N-OD1 3.3Å; T414-N430 CarbonylContact O-C 3.58Å; T414-N430 WeakPolarHBondContact O-CA 3.35Å; T414-N430 WeakPolarHBondContact O-CB 3.18Å
431	V	98.6	Very high	96.7	Very high	17 Å²	17	76.8 Å²	76.8	10%	0.103	43%	0.427	C	S	.	.	B	Isolated β-bridge	trans	-106.5	126.3	175.7	179.8	0	0	0	0	107.5	T414 V415 G416 A419 I421 V427 R429 A435 A437	T414-V431 PolarHBondContact O-N 3.41Å; V415-V431 HydrophobicContact CG1-CB 4.26Å; V415-V431 HydrophobicContact CG2-CB 4.47Å; G416-V431 PolarHBondContact N-O 2.93Å; A419-V431 HydrophobicContact CB-CG1 3.91Å; I421-V431 HydrophobicContact CD1-CB 4.15Å; I421-V431 HydrophobicContact CD1-CG1 3.9Å; I421-V431 HydrophobicContact CD1-CG2 3.75Å; V427-V431 HydrophobicContact CG1-CG2 3.75Å; R429-V431 PolarHBondContact O-N 2.9Å; V431-A435 HydrophobicContact CG1-CB 3.92Å; V431-A437 HydrophobicContact CG1-CB 4.18Å; V431-A437 HydrophobicContact CG2-CB 3.9Å
432	G	98.3	Very high	96.4	Very high	44 Å²	44	82.2 Å²	82.2	45%	0.454	46%	0.463	S	S	.	.			trans	-68.8	168.7	-177.3	0	0	0	0	0	113.4	A435	G432-A435 VanDerWaalsContact O-CB 3.26Å; G432-A435 WeakPolarHBondContact O-CB 3.46Å; G432-A435 PolarHBondContact O-N 3.49Å
433	E	98.5	Very high	96.2	Very high	132 Å²	132	89.4 Å²	89.4	62%	0.617	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	137.8	172.4	-162.1	-172.6	146.2	0	0	111.1	K417 A435	K417-E433 HydrophobicContact CB-CG 4.14Å; K417-E433 CarbonylContact O-C 3.5Å; K417-E433 WeakPolarHBondContact O-CA 3.2Å; K417-E433 WeakPolarHBondContact O-CG 3.45Å; E433-A435 PolarHBondContact O-N 2.89Å
434	N	98.5	Very high	96.1	Very high	117 Å²	117	92 Å²	92	63%	0.626	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	19.8	-179.7	-54.7	-54.9	0	0	0	114.4	K417	K417-N434 PolarHBondContact O-N 2.84Å
435	A	98.4	Very high	96	Very high	34 Å²	34	97.3 Å²	97.3	28%	0.281	52%	0.517	S	S	.	.			trans	-88.3	148.7	-177.9	0	0	0	0	0	111.8	A419 T420 V431 G432 E433	A419-A435 CarbonylContact C-O 3.54Å; A419-A435 WeakPolarHBondContact CA-O 3.37Å; T420-A435 PolarHBondContact N-O 3.2Å; V431-A435 HydrophobicContact CG1-CB 3.92Å; G432-A435 VanDerWaalsContact O-CB 3.26Å; G432-A435 WeakPolarHBondContact O-CB 3.46Å; G432-A435 PolarHBondContact O-N 3.49Å; E433-A435 PolarHBondContact O-N 2.89Å
436	L	98.2	Very high	95.8	Very high	119 Å²	119	104 Å²	104	62%	0.623	55%	0.545	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.9	121.6	167.4	176.2	62.9	0	0	0	109.8	T420	T420-L436 HydrophobicContact CG2-CD1 3.84Å; T420-L436 CarbonylContact O-C 3.57Å; T420-L436 VanDerWaalsContact O-CA 3.32Å; T420-L436 WeakPolarHBondContact O-CA 3.45Å; T420-L436 WeakPolarHBondContact O-CD1 3.26Å
437	A	97.6	Very high	95.7	Very high	21 Å²	21	108.7 Å²	108.7	17%	0.174	56%	0.561	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.7	128.6	168.2	0	0	0	0	0	110.2	T420 I421 A422 V431	T420-A437 PolarHBondContact O-N 3.26Å; I421-A437 HydrophobicContact CD1-CB 3.67Å; A422-A437 PolarHBondContact N-O 2.82Å; V431-A437 HydrophobicContact CG1-CB 4.18Å; V431-A437 HydrophobicContact CG2-CB 3.9Å
438	I	96.2	Very high	95.5	Very high	102 Å²	102	111.9 Å²	111.9	52%	0.523	60%	0.596	S	S	.	*			trans	-141.1	136.9	-178.5	-177.4	166.5	0	0	0	110.9	A422 R440	A422-I438 HydrophobicContact CB-CB 3.86Å; A422-I438 HydrophobicContact CB-CD1 4.07Å; A422-I438 HydrophobicContact CB-CG1 3.72Å; I438-R440 HydrophobicContact CG2-CG 4.37Å
439	S	91.2	Very high	95.4	Very high	56 Å²	56	116.4 Å²	116.4	39%	0.392	60%	0.603	S	S	.	*			trans	-87.2	113.9	166.2	-170.2	0	0	0	0	110.5	T425 V441	T425-S439 PolarHBondContact OG1-N 2.85Å; S439-V441 PolarHBondContact O-N 2.97Å
440	R	83.7	Confident	95.1	Very high	224 Å²	224	117.4 Å²	117.4	85%	0.845	61%	0.606	S	S	*	*			trans	-93.1	77.4	178.6	-67.3	-176	79.1	-178.3	5.4	111	I438	I438-R440 HydrophobicContact CG2-CG 4.37Å
441	V	90.8	Very high	95	Very high	117 Å²	117	122 Å²	122	71%	0.709	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-79.3	124	173.3	-175.3	0	0	0	0	109.4	S439 Q443	S439-V441 PolarHBondContact O-N 2.97Å; V441-Q443 PolarHBondContact O-N 3.32Å
442	P	91.7	Very high	94.7	Very high	114 Å²	114	127.2 Å²	127.2	74%	0.74	65%	0.65	S	S	*	*	P	Polyproline II helix	trans	-67.9	129.2	176.1	26.7	-32.3	0	0	0	110.7
443	Q	94.1	Very high	94.4	Very high	174 Å²	174	131.5 Å²	131.5	81%	0.813	67%	0.667	S	S	*	*	P	Polyproline II helix	trans	-82.7	130.5	173.8	-174.3	177.2	-5.8	0	0	110.1	V441	V441-Q443 PolarHBondContact O-N 3.32Å
444	T	95.1	Very high	93.9	Very high	123 Å²	123	135 Å²	135	76%	0.755	68%	0.68	S	S	*	*			trans	-107.7	127	166.4	-58	0	0	0	0	109.1
445	Q	95.4	Very high	93.2	Very high	147 Å²	147	139.4 Å²	139.4	69%	0.687	69%	0.693	S	S	*	*			trans	-107.3	130.6	175.4	-179	171.8	-37	0	0	109.6
446	K	95.4	Very high	92.3	Very high	149 Å²	149	151 Å²	151	65%	0.648	74%	0.738	S	S	*	*			trans	-109	108.3	174	-66.7	-172.8	180	-178.6	0	109.6	W449	K446-W449 HydrophobicContact CD-CE3 4.33Å; K446-W449 HydrophobicContact CD-CZ3 4.47Å
447	E	95.4	Very high	92	Very high	174 Å²	174	152.7 Å²	152.7	81%	0.813	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	149.2	173.5	-62.1	-170.8	171	0	0	111	W449	E447-W449 VanDerWaalsContact C-N 3.27Å; E447-W449 PolarHBondContact O-N 2.82Å
448	G	94.4	Very high	91.7	Very high	74 Å²	74	159.6 Å²	159.6	76%	0.763	77%	0.773	S	S	*	*	T	Hydrogen-bonded Turn	trans	70.8	14.2	176.5	0	0	0	0	0	115.8	R450	G448-R450 PolarHBondContact O-N 3.05Å
449	W	95.2	Very high	91.5	Very high	186 Å²	186	162.8 Å²	162.8	71%	0.705	79%	0.787	S	S	*	*			trans	-62.4	109.1	177.7	-174.2	-100.3	0	0	0	111.9	K446 E447	K446-W449 HydrophobicContact CD-CE3 4.33Å; K446-W449 HydrophobicContact CD-CZ3 4.47Å; E447-W449 VanDerWaalsContact C-N 3.27Å; E447-W449 PolarHBondContact O-N 2.82Å
450	R	92.5	Very high	91.5	Very high	228 Å²	228	169.1 Å²	169.1	86%	0.86	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-87.5	120	174.9	-65	-177	-177.3	-174.8	0.3	109.7	G448	G448-R450 PolarHBondContact O-N 3.05Å
451	R	95.3	Very high	92	Very high	211 Å²	211	165.6 Å²	165.6	80%	0.796	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-62.4	143.8	171.8	-70.6	-177.7	65.9	-165.4	0.5	110.2	V453	R451-V453 PolarHBondContact O-N 3.28Å
452	P	93.6	Very high	92	Very high	126 Å²	126	168.9 Å²	168.9	82%	0.818	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-54.9	123.8	170.4	-24.6	33.9	0	0	0	110.6
453	V	91.8	Very high	92.1	Very high	134 Å²	134	172.8 Å²	172.8	81%	0.812	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-97	136.1	167.4	-97.7	0	0	0	0	107.9	R451 K455	R451-V453 PolarHBondContact O-N 3.28Å; V453-K455 PolarHBondContact O-N 3.34Å
454	K	87.4	Confident	91.9	Very high	205 Å²	205	172.7 Å²	172.7	89%	0.891	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-55.4	135.1	173.3	-72.7	-175.4	177.7	-178.5	0	108.7	K456	K454-K456 PolarHBondContact O-N 3.42Å
455	K	83.9	Confident	91.6	Very high	209 Å²	209	176.8 Å²	176.8	91%	0.909	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-59.8	128.7	166.6	-69.1	-177.2	178.5	-179.6	0	107.3	V453	V453-K455 PolarHBondContact O-N 3.34Å
456	K	79.2	Confident	91.3	Very high	279 Å²	279	179.5 Å²	179.5	100%	1.213	84%	0.839	S	S	*	*			trans	-71.6	0	174.7	-76.4	-173.1	177.2	-177.1	0	110.8	K454	K454-K456 PolarHBondContact O-N 3.42Å

Retrieved 456 of 456 residues in 207.8 ms (Link to these results)

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