A0A077Z351_TRITR Loading...

Kinase

AlphaFold DB , UniProt , Accession A0A077Z351, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 249 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	24.4	Very low	30.8	Very low	205 Å²	205	127.8 Å²	127.8	100%	1.01	64%	0.638	S	S	*	*				0	95.8	0	-157.7	-178.2	-162.3	0	0	109.2	L3	M1-L3 HydrophobicContact CG-CG 4.4Å; M1-L3 PolarHBondContact O-N 3.19Å; M1-L3 HydrophobicContact SD-CD1 4.17Å; M1-L3 HydrophobicContact SD-CG 4.3Å
2	K	25.7	Very low	31.5	Very low	166 Å²	166	134 Å²	134	72%	0.722	65%	0.648	S	S	*	*			trans	-69.9	86.2	166.8	-96.8	178	178.3	167.6	0	106.3	K4 D204	K2-K4 PolarHBondContact O-N 3.45Å; K2-D204 IonicContact NZ-OD1 3.15Å; K2-D204 PolarHBondContact NZ-OD1 3.41Å
3	L	24.1	Very low	31.8	Very low	85 Å²	85	130.9 Å²	130.9	45%	0.445	65%	0.649	S	S	.	*			trans	-64.5	83.2	166.1	-94.5	151.2	0	0	0	107.4	M1 R5 K43	M1-L3 HydrophobicContact CG-CG 4.4Å; M1-L3 PolarHBondContact O-N 3.19Å; M1-L3 HydrophobicContact SD-CD1 4.17Å; M1-L3 HydrophobicContact SD-CG 4.3Å; L3-R5 PolarHBondContact O-N 3.38Å; L3-K43 PolarHBondContact O-NZ 3.25Å
4	K	32	Very low	32.4	Very low	132 Å²	132	133.3 Å²	133.3	57%	0.574	66%	0.657	S	S	*	*			trans	-66.8	114.2	167.1	-97.9	175.5	173.6	167.1	0	106.1	K2 S6	K2-K4 PolarHBondContact O-N 3.45Å; K4-S6 PolarHBondContact O-N 3.47Å
5	R	28.6	Very low	33.5	Very low	208 Å²	208	129.7 Å²	129.7	79%	0.785	64%	0.638	S	S	*	*			trans	-48.5	140.1	161	-85.4	179.5	170.8	173.7	-4.4	107.5	L3 N7	L3-R5 PolarHBondContact O-N 3.38Å; R5-N7 PolarHBondContact O-N 3.33Å
6	S	28	Very low	34.6	Very low	97 Å²	97	129 Å²	129	68%	0.678	65%	0.65	S	S	*	*			trans	-55.5	103.8	161.6	44.1	0	0	0	0	107.2	K4 T8	K4-S6 PolarHBondContact O-N 3.47Å; S6-T8 PolarHBondContact O-N 3.47Å
7	N	36.6	Very low	36.2	Very low	77 Å²	77	129.1 Å²	129.1	41%	0.412	65%	0.647	S	S	.	*			trans	-66.6	86.2	163.5	-81.4	27.3	0	0	0	106.6	R5 D11	R5-N7 PolarHBondContact O-N 3.33Å; N7-D11 PolarHBondContact ND2-OD2 3.45Å
8	T	32.9	Very low	38.3	Very low	89 Å²	89	125.2 Å²	125.2	55%	0.546	63%	0.631	S	S	.	*			trans	-66.4	156.9	141.1	46.3	0	0	0	0	107.6	S6 L10	S6-T8 PolarHBondContact O-N 3.47Å; T8-L10 PolarHBondContact O-N 3.2Å
9	D	33.8	Very low	40.7	Very low	164 Å²	164	122.7 Å²	122.7	88%	0.877	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-58.9	23.1	-164.9	-63.6	-65.2	0	0	0	118.3
10	L	30.7	Very low	43	Very low	123 Å²	123	119.4 Å²	119.4	64%	0.644	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-86.8	-9.5	-178.8	-74	154.9	0	0	0	114.7	T8 R12 S13	T8-L10 PolarHBondContact O-N 3.2Å; L10-R12 PolarHBondContact O-N 2.71Å; L10-S13 PolarHBondContact O-OG 3.26Å
11	D	41.8	Very low	44.9	Very low	60 Å²	60	119.6 Å²	119.6	32%	0.321	60%	0.598	S	S	.	*	G	3₁₀ helix	trans	-75.7	-5.3	-179	-152.3	35.6	0	0	0	112.8	N7 K125 Y126	N7-D11 PolarHBondContact ND2-OD2 3.45Å; D11-K125 IonicContact OD2-NZ 3.48Å; D11-K125 PolarHBondContact OD2-NZ 2.89Å; D11-K125 VanDerWaalsContact OD2-NZ 3.15Å; D11-Y126 PolarHBondContact OD2-OH 2.78Å
12	R	39.5	Very low	47.8	Very low	202 Å²	202	111.1 Å²	111.1	76%	0.762	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-92.7	-22.9	177.6	-103.8	-175.7	168.6	174.7	-3.4	113.8	L10	L10-R12 PolarHBondContact O-N 2.71Å
13	S	34.8	Very low	50.5	Low	94 Å²	94	108.3 Å²	108.3	66%	0.657	55%	0.547	S	S	*	.	S	Bend	trans	-83.5	-12.7	-171	53.4	0	0	0	0	114.7	L10	L10-S13 PolarHBondContact O-OG 3.26Å
14	E	40.5	Very low	52.9	Low	164 Å²	164	104.9 Å²	104.9	77%	0.766	53%	0.53	S	S	*	.	S	Bend	trans	-105.7	-5.8	-179.5	-74.1	-175.7	165.7	0	0	114.3
15	H	49.3	Very low	54.4	Low	80 Å²	80	105.8 Å²	105.8	37%	0.37	53%	0.534	S	S	.	.			trans	-136.5	84.7	178.6	-69.3	-67.3	0	0	0	110.4	E17	H15-E17 PolarHBondContact O-N 3.15Å
16	S	50.9	Low	56	Low	118 Å²	118	101.9 Å²	101.9	83%	0.825	53%	0.526	S	S	*	.			trans	-67.4	-22.4	175.3	48.5	0	0	0	0	113
17	E	61.4	Low	57.5	Low	130 Å²	130	100.3 Å²	100.3	61%	0.607	51%	0.506	S	S	*	.			trans	-105.5	102.7	-176.5	-74.4	-175.6	-175.9	0	0	111.1	H15 Q19	H15-E17 PolarHBondContact O-N 3.15Å; E17-Q19 WeakPolarHBondContact CB-O 3.45Å; E17-Q19 PolarHBondContact O-N 3.38Å
18	V	74.4	Confident	58.6	Low	60 Å²	60	100.9 Å²	100.9	36%	0.364	52%	0.515	S	S	.	.	S	Bend	trans	-69.4	-9.4	171.1	-62.9	0	0	0	0	113	D124 Y127	V18-D124 PolarHBondContact O-N 2.79Å; V18-Y127 HydrophobicContact CG2-CD2 4.42Å
19	Q	84.4	Confident	60.2	Low	77 Å²	77	100.5 Å²	100.5	36%	0.36	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	134.5	177.3	174.8	-172.4	-23.6	0	0	109.3	E17 T121 C122 Y123	E17-Q19 WeakPolarHBondContact CB-O 3.45Å; E17-Q19 PolarHBondContact O-N 3.38Å; Q19-T121 HydrophobicContact CG-CG2 3.87Å; Q19-C122 CarbonylContact C-O 3.6Å; Q19-C122 WeakPolarHBondContact CA-O 3.38Å; Q19-Y123 HydrophobicContact CB-CD1 4.06Å; Q19-Y123 HydrophobicContact CB-CE1 4.09Å; Q19-Y123 VanDerWaalsContact CD-CE1 3.42Å; Q19-Y123 HydrophobicContact CG-CD1 3.98Å; Q19-Y123 HydrophobicContact CG-CE1 3.61Å; Q19-Y123 PolarHBondContact NE2-OH 2.77Å; Q19-Y123 VanDerWaalsContact OE1-CE1 3.27Å
20	F	85.6	Confident	62.2	Low	57 Å²	57	93.5 Å²	93.5	25%	0.25	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	159.5	173	67.3	-88.6	0	0	0	111.6	Y22 W32 C122	F20-Y22 HydrophobicContact CD2-CD1 4.19Å; F20-Y22 AromaticContact CE2-CD1 3.78Å; F20-Y22 HydrophobicContact CE2-CD1 3.78Å; F20-Y22 HydrophobicContact CE2-CE1 4.1Å; F20-W32 HydrophobicContact CE1-CB 4.38Å; F20-W32 HydrophobicContact CZ-CB 3.89Å; F20-C122 HydrophobicContact CD1-CB 3.81Å; F20-C122 HydrophobicContact CD2-CB 4.17Å; F20-C122 HydrophobicContact CE1-CB 3.37Å; F20-C122 HydrophobicContact CE2-CB 3.76Å; F20-C122 HydrophobicContact CG-CB 4.19Å; F20-C122 HydrophobicContact CZ-CB 3.35Å; F20-C122 PolarHBondContact N-O 2.88Å; F20-C122 PolarHBondContact O-N 3.33Å
21	Q	84.5	Confident	64.5	Low	123 Å²	123	90.8 Å²	90.8	58%	0.575	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.1	148.3	177.7	-71.4	-175.6	-22.8	0	0	111.9	Y120 T121	Q21-Y120 WeakPolarHBondContact CA-O 3.3Å; Q21-T121 HydrophobicContact CG-CG2 3.83Å; Q21-T121 WeakPolarHBondContact CG-OG1 3.49Å; Q21-T121 PolarHBondContact NE2-OG1 2.97Å
22	Y	84.2	Confident	66.1	Low	28 Å²	28	94.7 Å²	94.7	11%	0.11	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	147.5	172.9	67.2	-83.9	0	0	0	112.2	F20 P31 Q111 T119 Y120	F20-Y22 HydrophobicContact CD2-CD1 4.19Å; F20-Y22 AromaticContact CE2-CD1 3.78Å; F20-Y22 HydrophobicContact CE2-CD1 3.78Å; F20-Y22 HydrophobicContact CE2-CE1 4.1Å; Y22-P31 HydrophobicContact CG-CG 4.44Å; Y22-Q111 PolarHBondContact OH-OE1 3.26Å; Y22-T119 CarbonylContact O-C 3.21Å; Y22-T119 WeakPolarHBondContact O-CA 3.33Å; Y22-Y120 HydrophobicContact CD2-CD2 4.25Å; Y22-Y120 HydrophobicContact CE1-CD2 4.21Å; Y22-Y120 AromaticContact CE1-CG 3.99Å; Y22-Y120 HydrophobicContact CE1-CG 3.99Å; Y22-Y120 AromaticContact CE2-CD2 3.46Å; Y22-Y120 HydrophobicContact CE2-CD2 3.46Å; Y22-Y120 VanDerWaalsContact CE2-CD2 3.46Å; Y22-Y120 HydrophobicContact CE2-CE2 4.23Å; Y22-Y120 HydrophobicContact CE2-CG 4.09Å; Y22-Y120 AromaticContact CZ-CD2 3.43Å; Y22-Y120 VanDerWaalsContact CZ-CD2 3.43Å; Y22-Y120 AromaticContact CZ-CG 3.62Å; Y22-Y120 PolarHBondContact N-O 2.68Å; Y22-Y120 PolarHBondContact O-N 3.23Å; Y22-Y120 WeakPolarHBondContact OH-CD2 3.47Å
23	L	82.1	Confident	68	Low	106 Å²	106	87.3 Å²	87.3	56%	0.555	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	131.8	176.3	-170.9	73.2	0	0	0	110.1	K25 T119	L23-K25 PolarHBondContact O-N 3.04Å; L23-T119 HydrophobicContact CD1-CG2 4.07Å
24	S	75.2	Confident	70.3	Confident	14 Å²	14	88 Å²	88	10%	0.098	44%	0.443	C	S	.	.			trans	-80	114.2	175.7	-173.1	0	0	0	0	110.2	Y66 K118	S24-Y66 VanDerWaalsContact OG-CD1 3.28Å; S24-Y66 WeakPolarHBondContact OG-CD1 3.35Å; S24-Y66 VanDerWaalsContact OG-CE1 3.24Å; S24-Y66 WeakPolarHBondContact OG-CE1 3.31Å; S24-K118 WeakPolarHBondContact CB-O 3.18Å; S24-K118 PolarHBondContact N-O 2.88Å
25	K	64	Low	72.4	Confident	150 Å²	150	85 Å²	85	65%	0.652	43%	0.429	S	S	*	.	S	Bend	trans	-96.3	-41.8	161.5	-68.3	-172.6	179.1	-177	0	110.9	L23	L23-K25 PolarHBondContact O-N 3.04Å
26	M	61.7	Low	73.9	Confident	126 Å²	126	83.2 Å²	83.2	62%	0.621	43%	0.425	S	S	*	.			trans	-162	151.7	168.9	-67.6	-179.5	74.2	0	0	108.1	C28 Q29	M26-C28 PolarHBondContact O-N 3.46Å; M26-C28 VanDerWaalsContact O-N 3.11Å; M26-Q29 PolarHBondContact O-N 3.27Å
27	Y	59.2	Low	75.6	Confident	65 Å²	65	83.6 Å²	83.6	26%	0.255	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-56.6	-28	-178.5	174.4	-112.8	0	0	0	114.9	Q29 N30 T61 P67	Y27-Q29 PolarHBondContact O-N 3.14Å; Y27-N30 PolarHBondContact O-N 3.01Å; Y27-T61 HydrophobicContact CE1-CG2 4.37Å; Y27-T61 WeakPolarHBondContact CE1-OG1 3.3Å; Y27-P67 HydrophobicContact CD1-CG 3.7Å; Y27-P67 HydrophobicContact CD2-CG 3.22Å; Y27-P67 HydrophobicContact CE1-CG 3.8Å; Y27-P67 HydrophobicContact CE2-CB 4.45Å; Y27-P67 HydrophobicContact CE2-CG 3.34Å; Y27-P67 HydrophobicContact CG-CG 3.41Å; Y27-P67 VanDerWaalsContact CG-CG 3.41Å
28	C	59.3	Low	76.8	Confident	88 Å²	88	80.1 Å²	80.1	60%	0.595	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-61.7	3	178.1	66.3	0	0	0	0	114.9	M26 K34	M26-C28 PolarHBondContact O-N 3.46Å; M26-C28 VanDerWaalsContact O-N 3.11Å; C28-K34 VanDerWaalsContact O-CE 3.32Å; C28-K34 WeakPolarHBondContact O-CE 3.41Å
29	Q	66.4	Low	77.5	Confident	81 Å²	81	80.8 Å²	80.8	38%	0.379	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-108.3	7	-178.4	-58.5	-165.2	-0.2	0	0	115.4	M26 Y27 P31	M26-Q29 PolarHBondContact O-N 3.27Å; Y27-Q29 PolarHBondContact O-N 3.14Å; Q29-P31 WeakPolarHBondContact O-CD 3.29Å
30	N	75.6	Confident	77.4	Confident	18 Å²	18	82.1 Å²	82.1	10%	0.096	42%	0.421	C	S	.	.			trans	-48.8	111.4	175.2	178.9	-40.2	0	0	0	110.3	Y27 W32 A33 K34 Q111	Y27-N30 PolarHBondContact O-N 3.01Å; N30-W32 VanDerWaalsContact C-N 3.29Å; N30-W32 PolarHBondContact O-N 3.08Å; N30-W32 WeakPolarHBondContact OD1-CA 3.29Å; N30-W32 WeakPolarHBondContact OD1-CB 3.23Å; N30-W32 PolarHBondContact OD1-N 3.3Å; N30-A33 HydrophobicContact CB-CB 3.94Å; N30-A33 PolarHBondContact O-N 3.46Å; N30-A33 PolarHBondContact OD1-N 3.33Å; N30-K34 PolarHBondContact O-N 3Å; N30-Q111 PolarHBondContact ND2-OE1 3.08Å
31	P	78.6	Confident	77.5	Confident	66 Å²	66	82.8 Å²	82.8	43%	0.429	43%	0.427	S	S	.	.	H	α-helix	trans	-63.6	-36.3	-172.9	-24.8	35.1	0	0	0	112.5	Y22 Q29 K34 Q35	Y22-P31 HydrophobicContact CG-CG 4.44Å; Q29-P31 WeakPolarHBondContact O-CD 3.29Å; P31-K34 PolarHBondContact O-N 3.35Å; P31-Q35 PolarHBondContact O-N 3.44Å
32	W	75.3	Confident	77.7	Confident	141 Å²	141	79.3 Å²	79.3	53%	0.534	42%	0.419	S	S	.	.	H	α-helix	trans	-68.7	-39.9	179.3	-178.9	83.2	0	0	0	112.1	F20 N30 K34 Q35 C36	F20-W32 HydrophobicContact CE1-CB 4.38Å; F20-W32 HydrophobicContact CZ-CB 3.89Å; N30-W32 VanDerWaalsContact C-N 3.29Å; N30-W32 PolarHBondContact O-N 3.08Å; N30-W32 WeakPolarHBondContact OD1-CA 3.29Å; N30-W32 WeakPolarHBondContact OD1-CB 3.23Å; N30-W32 PolarHBondContact OD1-N 3.3Å; W32-K34 VanDerWaalsContact C-N 3.34Å; W32-K34 PolarHBondContact O-N 2.95Å; W32-Q35 PolarHBondContact O-N 3.14Å; W32-C36 WeakPolarHBondContact CZ2-SG 3.23Å; W32-C36 WeakPolarHBondContact O-CB 3.44Å; W32-C36 PolarHBondContact O-N 3.46Å; W32-C36 PolarHBondContact O-SG 3.33Å
33	A	80	Confident	77.7	Confident	47 Å²	47	81.1 Å²	81.1	39%	0.388	43%	0.428	S	S	.	.	H	α-helix	trans	-62	-42.7	175.2	0	0	0	0	0	111.4	N30 C36 Q37	N30-A33 HydrophobicContact CB-CB 3.94Å; N30-A33 PolarHBondContact O-N 3.46Å; N30-A33 PolarHBondContact OD1-N 3.33Å; A33-C36 PolarHBondContact O-N 3.11Å; A33-Q37 WeakPolarHBondContact O-CB 3.45Å; A33-Q37 PolarHBondContact O-N 3.1Å
34	K	83.3	Confident	77.8	Confident	108 Å²	108	78.6 Å²	78.6	47%	0.47	41%	0.413	S	S	.	.	H	α-helix	trans	-62.2	-45.2	174.7	-71.5	-179	176.3	177.2	0	112	C28 N30 P31 W32 Q37 A38	C28-K34 VanDerWaalsContact O-CE 3.32Å; C28-K34 WeakPolarHBondContact O-CE 3.41Å; N30-K34 PolarHBondContact O-N 3Å; P31-K34 PolarHBondContact O-N 3.35Å; W32-K34 VanDerWaalsContact C-N 3.34Å; W32-K34 PolarHBondContact O-N 2.95Å; K34-Q37 PolarHBondContact O-N 3.29Å; K34-A38 WeakPolarHBondContact O-CB 3.47Å; K34-A38 PolarHBondContact O-N 3.29Å
35	Q	84.3	Confident	78.3	Confident	101 Å²	101	86.2 Å²	86.2	47%	0.472	44%	0.44	S	S	.	.	H	α-helix	trans	-61.8	-44.5	176.7	-172.2	-176.5	2.7	0	0	111.5	P31 W32 A38 S39	P31-Q35 PolarHBondContact O-N 3.44Å; W32-Q35 PolarHBondContact O-N 3.14Å; Q35-A38 PolarHBondContact O-N 2.99Å; Q35-S39 WeakPolarHBondContact O-CB 3.49Å; Q35-S39 PolarHBondContact O-N 3.02Å
36	C	82.5	Confident	79.3	Confident	44 Å²	44	85.8 Å²	85.8	30%	0.297	44%	0.444	S	S	.	.	H	α-helix	trans	-60.6	-46.3	176.4	-76.8	0	0	0	0	111.8	W32 A33 S39 Q40	W32-C36 WeakPolarHBondContact CZ2-SG 3.23Å; W32-C36 WeakPolarHBondContact O-CB 3.44Å; W32-C36 PolarHBondContact O-N 3.46Å; W32-C36 PolarHBondContact O-SG 3.33Å; A33-C36 PolarHBondContact O-N 3.11Å; C36-S39 PolarHBondContact O-N 3.31Å; C36-Q40 WeakPolarHBondContact O-CG 3.36Å; C36-Q40 PolarHBondContact O-N 3.12Å
37	Q	84.8	Confident	80.2	Confident	125 Å²	125	82.4 Å²	82.4	58%	0.584	43%	0.428	S	S	*	.	H	α-helix	trans	-60.7	-46.9	176.6	-173.6	-177.8	9.1	0	0	111.3	A33 K34 S39 Q40 L41	A33-Q37 WeakPolarHBondContact O-CB 3.45Å; A33-Q37 PolarHBondContact O-N 3.1Å; K34-Q37 PolarHBondContact O-N 3.29Å; Q37-S39 VanDerWaalsContact C-N 3.35Å; Q37-S39 PolarHBondContact O-N 3.34Å; Q37-Q40 PolarHBondContact O-N 3.04Å; Q37-L41 HydrophobicContact CG-CD1 3.99Å; Q37-L41 HydrophobicContact CG-CG 4.46Å; Q37-L41 WeakPolarHBondContact O-CB 3.46Å; Q37-L41 VanDerWaalsContact O-CG 3.31Å; Q37-L41 WeakPolarHBondContact O-CG 3.32Å; Q37-L41 PolarHBondContact O-N 3.15Å
38	A	88.3	Confident	80.7	Confident	57 Å²	57	90.2 Å²	90.2	47%	0.471	46%	0.457	S	S	.	.	H	α-helix	trans	-59.7	-43.8	177.9	0	0	0	0	0	112	K34 Q35 L41 A42	K34-A38 WeakPolarHBondContact O-CB 3.47Å; K34-A38 PolarHBondContact O-N 3.29Å; Q35-A38 PolarHBondContact O-N 2.99Å; A38-L41 PolarHBondContact O-N 2.91Å; A38-A42 WeakPolarHBondContact O-CB 3.49Å; A38-A42 PolarHBondContact O-N 3.42Å
39	S	87.2	Confident	81.4	Confident	74 Å²	74	91.7 Å²	91.7	52%	0.517	47%	0.469	S	S	.	.	H	α-helix	trans	-63.2	-43.7	177.1	-176.1	0	0	0	0	112.5	Q35 C36 Q37 A42 K43	Q35-S39 WeakPolarHBondContact O-CB 3.49Å; Q35-S39 PolarHBondContact O-N 3.02Å; C36-S39 PolarHBondContact O-N 3.31Å; Q37-S39 VanDerWaalsContact C-N 3.35Å; Q37-S39 PolarHBondContact O-N 3.34Å; S39-A42 PolarHBondContact O-N 3.38Å; S39-K43 WeakPolarHBondContact O-CB 3.25Å; S39-K43 PolarHBondContact O-N 2.9Å
40	Q	83.9	Confident	82	Confident	106 Å²	106	93.1 Å²	93.1	50%	0.495	48%	0.475	S	S	.	.	H	α-helix	trans	-65.2	-43.3	175.7	-66.9	-58.3	-36.2	0	0	111.8	C36 Q37 K43 M44	C36-Q40 WeakPolarHBondContact O-CG 3.36Å; C36-Q40 PolarHBondContact O-N 3.12Å; Q37-Q40 PolarHBondContact O-N 3.04Å; Q40-K43 PolarHBondContact O-N 3.13Å; Q40-M44 WeakPolarHBondContact O-CG 3.49Å; Q40-M44 PolarHBondContact O-N 3.34Å
41	L	86.9	Confident	82.3	Confident	70 Å²	70	102.4 Å²	102.4	37%	0.366	52%	0.515	S	S	.	.	H	α-helix	trans	-62.1	-44.1	176.6	-73.1	170.6	0	0	0	111.6	Q37 A38 K43 M44 R45	Q37-L41 HydrophobicContact CG-CD1 3.99Å; Q37-L41 HydrophobicContact CG-CG 4.46Å; Q37-L41 WeakPolarHBondContact O-CB 3.46Å; Q37-L41 VanDerWaalsContact O-CG 3.31Å; Q37-L41 WeakPolarHBondContact O-CG 3.32Å; Q37-L41 PolarHBondContact O-N 3.15Å; A38-L41 PolarHBondContact O-N 2.91Å; L41-K43 VanDerWaalsContact C-N 3.31Å; L41-K43 PolarHBondContact O-N 2.82Å; L41-M44 HydrophobicContact CD2-CE 3.72Å; L41-M44 HydrophobicContact CG-CE 4.34Å; L41-M44 PolarHBondContact O-N 3.21Å; L41-R45 WeakPolarHBondContact O-CB 3.42Å; L41-R45 VanDerWaalsContact O-CG 3.28Å; L41-R45 WeakPolarHBondContact O-CG 3.46Å; L41-R45 PolarHBondContact O-N 3.05Å
42	A	88.5	Confident	82.5	Confident	50 Å²	50	102.7 Å²	102.7	41%	0.413	51%	0.51	S	S	.	.	H	α-helix	trans	-59	-43.6	175.7	0	0	0	0	0	111.4	A38 S39 R45 L46	A38-A42 WeakPolarHBondContact O-CB 3.49Å; A38-A42 PolarHBondContact O-N 3.42Å; S39-A42 PolarHBondContact O-N 3.38Å; A42-R45 WeakPolarHBondContact O-CB 3.45Å; A42-R45 PolarHBondContact O-N 3.28Å; A42-L46 WeakPolarHBondContact O-CG 3.47Å; A42-L46 PolarHBondContact O-N 2.89Å
43	K	85	Confident	83.1	Confident	67 Å²	67	107.5 Å²	107.5	29%	0.291	53%	0.528	S	S	.	.	H	α-helix	trans	-63.5	-43.5	176.7	-174.6	-178	179.9	-176.6	0	113	L3 S39 Q40 L41 R45 L46	L3-K43 PolarHBondContact O-NZ 3.25Å; S39-K43 WeakPolarHBondContact O-CB 3.25Å; S39-K43 PolarHBondContact O-N 2.9Å; Q40-K43 PolarHBondContact O-N 3.13Å; L41-K43 VanDerWaalsContact C-N 3.31Å; L41-K43 PolarHBondContact O-N 2.82Å; K43-R45 VanDerWaalsContact C-N 3.32Å; K43-L46 WeakPolarHBondContact O-CB 3.33Å; K43-L46 PolarHBondContact O-N 2.95Å
44	M	84	Confident	83.5	Confident	52 Å²	52	112.4 Å²	112.4	26%	0.256	54%	0.541	S	S	.	.	H	α-helix	trans	-66	-37.3	177.4	-68.7	-176.6	-61.3	0	0	111.5	Q40 L41 L46 L47 F54	Q40-M44 WeakPolarHBondContact O-CG 3.49Å; Q40-M44 PolarHBondContact O-N 3.34Å; L41-M44 HydrophobicContact CD2-CE 3.72Å; L41-M44 HydrophobicContact CG-CE 4.34Å; L41-M44 PolarHBondContact O-N 3.21Å; M44-L46 PolarHBondContact O-N 2.92Å; M44-L47 PolarHBondContact O-N 3.05Å; M44-F54 HydrophobicContact SD-CE1 3.97Å; M44-F54 HydrophobicContact SD-CZ 3.55Å; M44-F54 VanDerWaalsContact SD-CZ 3.55Å
45	R	85.4	Confident	83.9	Confident	174 Å²	174	114.7 Å²	114.7	66%	0.657	56%	0.558	S	S	*	*	H	α-helix	trans	-62.9	-22.2	174	-75	173.4	179.8	169.2	0.5	113.9	L41 A42 K43 R48	L41-R45 WeakPolarHBondContact O-CB 3.42Å; L41-R45 VanDerWaalsContact O-CG 3.28Å; L41-R45 WeakPolarHBondContact O-CG 3.46Å; L41-R45 PolarHBondContact O-N 3.05Å; A42-R45 WeakPolarHBondContact O-CB 3.45Å; A42-R45 PolarHBondContact O-N 3.28Å; K43-R45 VanDerWaalsContact C-N 3.32Å; R45-R48 WeakPolarHBondContact O-CG 3.29Å; R45-R48 PolarHBondContact O-NE 3.3Å
46	L	85.3	Confident	84.3	Confident	142 Å²	142	118.2 Å²	118.2	74%	0.743	58%	0.579	S	S	*	*	H	α-helix	trans	-79.2	-23.7	174.2	-69.3	169	0	0	0	112.3	A42 K43 M44 R48	A42-L46 WeakPolarHBondContact O-CG 3.47Å; A42-L46 PolarHBondContact O-N 2.89Å; K43-L46 WeakPolarHBondContact O-CB 3.33Å; K43-L46 PolarHBondContact O-N 2.95Å; M44-L46 PolarHBondContact O-N 2.92Å; L46-R48 VanDerWaalsContact C-N 3.33Å; L46-R48 PolarHBondContact O-N 3.37Å
47	L	81.4	Confident	84.8	Confident	54 Å²	54	122.8 Å²	122.8	28%	0.283	60%	0.6	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.1	28.2	-176.4	-62.1	172.7	0	0	0	112.4	M44 S49 Q50	M44-L47 PolarHBondContact O-N 3.05Å; L47-S49 PolarHBondContact O-N 2.93Å; L47-Q50 PolarHBondContact O-N 2.85Å
48	R	69.3	Low	85.3	Confident	229 Å²	229	122.2 Å²	122.2	86%	0.864	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-40.2	-25.1	-162.6	-66.1	-167.6	166.2	-174.7	-6.9	117.9	R45 L46	R45-R48 WeakPolarHBondContact O-CG 3.29Å; R45-R48 PolarHBondContact O-NE 3.3Å; L46-R48 VanDerWaalsContact C-N 3.33Å; L46-R48 PolarHBondContact O-N 3.37Å
49	S	72.7	Confident	85.5	Confident	119 Å²	119	123.9 Å²	123.9	83%	0.832	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.2	-5.5	-178.4	55.3	0	0	0	0	115.2	L47	L47-S49 PolarHBondContact O-N 2.93Å
50	Q	79	Confident	85.7	Confident	112 Å²	112	121.6 Å²	121.6	52%	0.523	58%	0.58	S	S	.	*	S	Bend	trans	-94.7	129.3	-176.2	-65	-165.9	-15.4	0	0	112.4	L47 H52	L47-Q50 PolarHBondContact O-N 2.85Å; Q50-H52 PolarHBondContact O-N 3.47Å
51	K	83.7	Confident	86.1	Confident	212 Å²	212	117.3 Å²	117.3	92%	0.922	56%	0.561	S	S	*	*	P	Polyproline II helix	trans	-65.1	122.5	167.8	-70.8	-176.6	178.4	179.8	0	109.4
52	H	82.3	Confident	86.2	Confident	72 Å²	72	119.7 Å²	119.7	33%	0.333	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-96.8	131	175	-60.8	-54.9	0	0	0	110.3	Q50 F54	Q50-H52 PolarHBondContact O-N 3.47Å; H52-F54 HydrophobicContact CB-CD2 4.3Å; H52-F54 HydrophobicContact CB-CE2 3.39Å; H52-F54 HydrophobicContact CB-CZ 3.69Å
53	R	86.8	Confident	86.3	Confident	242 Å²	242	120.1 Å²	120.1	91%	0.913	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-97.2	134.3	173.1	-63.4	-177.6	-176.1	177.9	0.4	109.4
54	F	88.7	Confident	86.6	Confident	150 Å²	150	117.8 Å²	117.8	66%	0.658	56%	0.559	S	S	*	*			trans	-126.2	154.1	179.6	-62.2	-89.8	0	0	0	110.6	M44 H52	M44-F54 HydrophobicContact SD-CE1 3.97Å; M44-F54 HydrophobicContact SD-CZ 3.55Å; M44-F54 VanDerWaalsContact SD-CZ 3.55Å; H52-F54 HydrophobicContact CB-CD2 4.3Å; H52-F54 HydrophobicContact CB-CE2 3.39Å; H52-F54 HydrophobicContact CB-CZ 3.69Å
55	L	91.2	Very high	86.9	Confident	156 Å²	156	120.9 Å²	120.9	82%	0.817	57%	0.572	S	S	*	*			trans	-100.9	122	163.1	-66.9	168.7	0	0	0	106.6	L57	L55-L57 HydrophobicContact CB-CD2 4.45Å; L55-L57 HydrophobicContact CB-CG 4.42Å
56	L	93.1	Very high	87.2	Confident	175 Å²	175	115.6 Å²	115.6	92%	0.916	55%	0.553	S	S	*	*			trans	-83.6	120.3	170.4	-176.7	63.4	0	0	0	107.5
57	L	93.7	Very high	87.7	Confident	140 Å²	140	108.8 Å²	108.8	73%	0.733	52%	0.517	S	S	*	.			trans	-121.4	154.4	-178.1	-60	177	0	0	0	109.6	L55	L55-L57 HydrophobicContact CB-CD2 4.45Å; L55-L57 HydrophobicContact CB-CG 4.42Å
58	E	94.4	Very high	88.4	Confident	114 Å²	114	106.2 Å²	106.2	53%	0.533	50%	0.504	S	S	.	.			trans	-56.3	138.5	168.9	-176.1	-171.1	177.5	0	0	110.6	L60 R201	E58-L60 HydrophobicContact CG-CD2 4.43Å; E58-L60 PolarHBondContact O-N 3.15Å; E58-R201 IonicContact OE2-NH1 3.77Å; E58-R201 PolarHBondContact OE2-NH1 3.28Å; E58-R201 IonicContact OE2-NH2 2.89Å
59	N	92.4	Very high	89.7	Confident	92 Å²	92	96.6 Å²	96.6	49%	0.492	47%	0.47	S	S	.	.			trans	-83.3	98.5	167.1	177.8	9.6	0	0	0	109.7	T61 H62	N59-T61 PolarHBondContact O-N 3.07Å; N59-T61 PolarHBondContact OD1-N 3.45Å; N59-T61 PolarHBondContact OD1-OG1 3.14Å; N59-H62 HydrophobicContact CB-CB 4.24Å; N59-H62 WeakPolarHBondContact O-CB 3.39Å; N59-H62 PolarHBondContact O-N 2.75Å; N59-H62 VanDerWaalsContact O-N 3.1Å; N59-H62 PolarHBondContact O-ND1 2.9Å
60	L	93	Very high	90.9	Very high	26 Å²	26	91 Å²	91	14%	0.136	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-14.1	-179.5	-60.6	174.3	0	0	0	114.2	E58 Y64 L183 I185 R201	E58-L60 HydrophobicContact CG-CD2 4.43Å; E58-L60 PolarHBondContact O-N 3.15Å; L60-Y64 WeakPolarHBondContact O-CE2 3.38Å; L60-L183 HydrophobicContact CD1-CD2 3.94Å; L60-I185 HydrophobicContact CB-CD1 3.52Å; L60-I185 HydrophobicContact CD1-CD1 4.36Å; L60-R201 HydrophobicContact CD1-CB 3.96Å; L60-R201 HydrophobicContact CD1-CG 3.74Å; L60-R201 HydrophobicContact CD2-CG 4.07Å
61	T	91.6	Very high	91.8	Very high	15 Å²	15	87.3 Å²	87.3	9%	0.092	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-0.5	179.4	60.6	0	0	0	0	113.7	Y27 N59 C63 Y64 P67 V69 I185	Y27-T61 HydrophobicContact CE1-CG2 4.37Å; Y27-T61 WeakPolarHBondContact CE1-OG1 3.3Å; N59-T61 PolarHBondContact O-N 3.07Å; N59-T61 PolarHBondContact OD1-N 3.45Å; N59-T61 PolarHBondContact OD1-OG1 3.14Å; T61-C63 VanDerWaalsContact C-N 3.28Å; T61-C63 PolarHBondContact O-N 2.75Å; T61-Y64 PolarHBondContact O-N 3.46Å; T61-P67 HydrophobicContact CG2-CB 4.25Å; T61-V69 HydrophobicContact CG2-CG2 4.17Å; T61-I185 HydrophobicContact CG2-CD1 3.9Å; T61-I185 HydrophobicContact CG2-CG2 4.21Å
62	H	89.6	Confident	92.6	Very high	121 Å²	121	77.2 Å²	77.2	56%	0.56	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-31.1	-170.2	78.7	-85	0	0	0	114.2	N59	N59-H62 HydrophobicContact CB-CB 4.24Å; N59-H62 WeakPolarHBondContact O-CB 3.39Å; N59-H62 PolarHBondContact O-N 2.75Å; N59-H62 VanDerWaalsContact O-N 3.1Å; N59-H62 PolarHBondContact O-ND1 2.9Å
63	C	89.1	Confident	93.3	Very high	59 Å²	59	75.7 Å²	75.7	40%	0.399	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	6.8	-176.4	33.4	0	0	0	0	113.8	T61	T61-C63 VanDerWaalsContact C-N 3.28Å; T61-C63 PolarHBondContact O-N 2.75Å
64	Y	91.8	Very high	93.9	Very high	17 Å²	17	64.2 Å²	64.2	7%	0.067	32%	0.32	C	S	.	.			trans	-109.4	137.2	-178.7	-60.7	-98.8	0	0	0	110.6	L60 T61 P67 I185 E187 L197 D199	L60-Y64 WeakPolarHBondContact O-CE2 3.38Å; T61-Y64 PolarHBondContact O-N 3.46Å; Y64-P67 HydrophobicContact CG-CB 4.06Å; Y64-I185 HydrophobicContact CD1-CG2 4.29Å; Y64-I185 HydrophobicContact CD2-CG2 4.18Å; Y64-I185 HydrophobicContact CE1-CG2 4.04Å; Y64-I185 HydrophobicContact CE2-CG2 3.93Å; Y64-I185 HydrophobicContact CG-CG2 4.36Å; Y64-E187 HydrophobicContact CD1-CB 3.98Å; Y64-E187 HydrophobicContact CE1-CB 4.48Å; Y64-L197 HydrophobicContact CD1-CD2 3.7Å; Y64-L197 HydrophobicContact CD1-CG 4.14Å; Y64-L197 HydrophobicContact CD2-CD2 4.48Å; Y64-L197 HydrophobicContact CE1-CB 4.22Å; Y64-L197 HydrophobicContact CE1-CD2 3.58Å; Y64-L197 HydrophobicContact CE1-CG 3.51Å; Y64-L197 HydrophobicContact CE2-CD2 4.37Å; Y64-L197 HydrophobicContact CG-CD2 4.18Å; Y64-D199 PolarHBondContact OH-N 3.08Å
65	H	90	Very high	94.3	Very high	118 Å²	118	57.3 Å²	57.3	55%	0.546	29%	0.291	S	S	.	.	S	Bend	trans	-81.4	-46.2	173.5	-63	89.3	0	0	0	110.7	E187	H65-E187 PolarHBondContact N-OE2 3.37Å; H65-E187 IonicContact ND1-OE2 3.93Å
66	Y	93.1	Very high	94.4	Very high	62 Å²	62	52.7 Å²	52.7	24%	0.243	27%	0.27	C	S	.	.	S	Bend	trans	-127.5	63.7	179.8	-52.7	-81.3	0	0	0	112.3	S24 S68 F113 Y120 E187 G188 D189	S24-Y66 VanDerWaalsContact OG-CD1 3.28Å; S24-Y66 WeakPolarHBondContact OG-CD1 3.35Å; S24-Y66 VanDerWaalsContact OG-CE1 3.24Å; S24-Y66 WeakPolarHBondContact OG-CE1 3.31Å; Y66-S68 PolarHBondContact O-N 2.97Å; Y66-F113 HydrophobicContact CD1-CD2 4.13Å; Y66-F113 HydrophobicContact CD1-CE1 4.14Å; Y66-F113 AromaticContact CD1-CE2 3.6Å; Y66-F113 HydrophobicContact CD1-CE2 3.6Å; Y66-F113 AromaticContact CD1-CZ 3.58Å; Y66-F113 HydrophobicContact CD1-CZ 3.58Å; Y66-F113 HydrophobicContact CD2-CE1 4.23Å; Y66-F113 HydrophobicContact CD2-CZ 4.34Å; Y66-F113 HydrophobicContact CE1-CE2 4.2Å; Y66-F113 HydrophobicContact CE1-CZ 4.01Å; Y66-F113 HydrophobicContact CG-CD1 4.18Å; Y66-F113 HydrophobicContact CG-CD2 4.4Å; Y66-F113 AromaticContact CG-CE1 3.81Å; Y66-F113 HydrophobicContact CG-CE1 3.81Å; Y66-F113 HydrophobicContact CG-CE2 4.09Å; Y66-F113 HydrophobicContact CG-CG 4.43Å; Y66-F113 AromaticContact CG-CZ 3.76Å; Y66-F113 HydrophobicContact CG-CZ 3.76Å; Y66-Y120 WeakPolarHBondContact CA-OH 3.42Å; Y66-E187 WeakPolarHBondContact CA-OE1 3.38Å; Y66-E187 VanDerWaalsContact CB-OE1 3.31Å; Y66-E187 WeakPolarHBondContact CB-OE1 3.48Å; Y66-E187 PolarHBondContact N-OE1 3.02Å; Y66-E187 PolarHBondContact N-OE2 3.07Å; Y66-G188 VanDerWaalsContact O-CA 3.29Å; Y66-G188 WeakPolarHBondContact O-CA 3.4Å; Y66-G188 PolarHBondContact O-N 2.93Å; Y66-D189 HydrophobicContact CD2-CB 3.61Å; Y66-D189 HydrophobicContact CE2-CB 4.14Å
67	P	94.2	Very high	94.4	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	121.5	-175.2	26.8	-34.7	0	0	0	111.9	Y27 T61 Y64 V69 Q111 Y120 I185 Y186	Y27-P67 HydrophobicContact CD1-CG 3.7Å; Y27-P67 HydrophobicContact CD2-CG 3.22Å; Y27-P67 HydrophobicContact CE1-CG 3.8Å; Y27-P67 HydrophobicContact CE2-CB 4.45Å; Y27-P67 HydrophobicContact CE2-CG 3.34Å; Y27-P67 HydrophobicContact CG-CG 3.41Å; Y27-P67 VanDerWaalsContact CG-CG 3.41Å; T61-P67 HydrophobicContact CG2-CB 4.25Å; Y64-P67 HydrophobicContact CG-CB 4.06Å; P67-V69 HydrophobicContact CB-CG2 4.19Å; P67-Q111 PolarHBondContact O-NE2 2.94Å; P67-Q111 VanDerWaalsContact O-NE2 3.1Å; P67-Y120 WeakPolarHBondContact CD-OH 3.3Å; P67-Y120 WeakPolarHBondContact O-CE1 3.15Å; P67-I185 HydrophobicContact CB-CG2 4.06Å; P67-Y186 WeakPolarHBondContact CA-O 3.28Å
68	S	96.3	Very high	94.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	129.4	160.7	-61.5	0	0	0	0	108	Y66 Q111 F113 I185 Y186	Y66-S68 PolarHBondContact O-N 2.97Å; S68-Q111 CarbonylContact C-O 3.59Å; S68-Q111 VanDerWaalsContact CA-O 3.23Å; S68-Q111 WeakPolarHBondContact CA-O 3.44Å; S68-F113 PolarHBondContact OG-N 2.82Å; S68-I185 CarbonylContact O-C 3.58Å; S68-I185 VanDerWaalsContact O-CA 3.28Å; S68-I185 WeakPolarHBondContact O-CA 3.48Å; S68-Y186 PolarHBondContact N-O 3.4Å; S68-Y186 PolarHBondContact O-N 2.91Å; S68-Y186 PolarHBondContact OG-OH 3.39Å
69	V	97	Very high	94.4	Very high	27 Å²	27	36.7 Å²	36.7	16%	0.164	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	130.7	-169.7	-178	0	0	0	0	110.2	T61 P67 M110 Q111 L183 I184 I185	T61-V69 HydrophobicContact CG2-CG2 4.17Å; P67-V69 HydrophobicContact CB-CG2 4.19Å; V69-M110 CarbonylContact O-C 3.57Å; V69-M110 WeakPolarHBondContact O-CA 3.5Å; V69-Q111 PolarHBondContact N-O 2.9Å; V69-Q111 PolarHBondContact O-N 2.96Å; V69-L183 HydrophobicContact CG1-CD1 3.64Å; V69-L183 HydrophobicContact CG1-CG 4.39Å; V69-I184 CarbonylContact C-O 3.51Å; V69-I184 WeakPolarHBondContact CA-O 3.39Å; V69-I185 HydrophobicContact CG1-CG1 4.44Å; V69-I185 HydrophobicContact CG2-CG1 4.46Å; V69-I185 HydrophobicContact CG2-CG2 4.22Å
70	L	98.4	Very high	94.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	120.5	176.3	174.6	64.3	0	0	0	110.2	L72 L107 M110 I140 F143 L183 I184	L70-L72 HydrophobicContact CD1-CD2 3.87Å; L70-L72 HydrophobicContact CD1-CG 4.43Å; L70-L72 HydrophobicContact CD2-CD1 4.16Å; L70-L72 HydrophobicContact CD2-CD2 4.01Å; L70-L72 HydrophobicContact CD2-CG 4.11Å; L70-L72 HydrophobicContact CG-CD1 4.47Å; L70-L72 HydrophobicContact CG-CD2 3.87Å; L70-L72 HydrophobicContact CG-CG 3.92Å; L70-L107 HydrophobicContact CD1-CD1 4.17Å; L70-L107 HydrophobicContact CD1-CG 4.12Å; L70-M110 HydrophobicContact CD1-CB 3.9Å; L70-M110 HydrophobicContact CD1-CG 4.01Å; L70-M110 HydrophobicContact CD1-SD 4.12Å; L70-I140 HydrophobicContact CD2-CD1 3.73Å; L70-F143 HydrophobicContact CB-CD1 4.04Å; L70-F143 HydrophobicContact CB-CD2 3.77Å; L70-F143 HydrophobicContact CB-CE1 3.78Å; L70-F143 HydrophobicContact CB-CE2 3.51Å; L70-F143 HydrophobicContact CB-CG 4.02Å; L70-F143 HydrophobicContact CB-CZ 3.5Å; L70-F143 HydrophobicContact CD2-CB 4.3Å; L70-F143 HydrophobicContact CD2-CD1 3.68Å; L70-F143 HydrophobicContact CD2-CD2 4.44Å; L70-F143 HydrophobicContact CD2-CE1 4.08Å; L70-F143 HydrophobicContact CD2-CG 3.87Å; L70-F143 HydrophobicContact CG-CD1 4.49Å; L70-F143 HydrophobicContact CG-CG 4.46Å; L70-L183 WeakPolarHBondContact O-CA 3.43Å; L70-I184 HydrophobicContact CB-CB 4.39Å; L70-I184 HydrophobicContact CD2-CD1 4.36Å; L70-I184 PolarHBondContact N-O 2.97Å; L70-I184 PolarHBondContact O-N 2.91Å
71	D	98.3	Very high	94.3	Very high	35 Å²	35	32.4 Å²	32.4	19%	0.187	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	119.8	171.7	-179.8	-42.5	0	0	0	108.9	G108 G109 S181 L183	D71-G108 WeakPolarHBondContact O-CA 3.31Å; D71-G108 PolarHBondContact O-N 3.18Å; D71-G109 PolarHBondContact N-O 3.47Å; D71-G109 PolarHBondContact O-N 3.23Å; D71-S181 WeakPolarHBondContact OD1-CB 3.36Å; D71-S181 PolarHBondContact OD1-OG 3.47Å; D71-L183 HydrophobicContact CB-CD1 4.21Å
72	L	98.6	Very high	94.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	118.4	176.1	-62	177.7	0	0	0	109.7	L70 M74 V105 R106 F136 I140 S181 L182 I184 L233	L70-L72 HydrophobicContact CD1-CD2 3.87Å; L70-L72 HydrophobicContact CD1-CG 4.43Å; L70-L72 HydrophobicContact CD2-CD1 4.16Å; L70-L72 HydrophobicContact CD2-CD2 4.01Å; L70-L72 HydrophobicContact CD2-CG 4.11Å; L70-L72 HydrophobicContact CG-CD1 4.47Å; L70-L72 HydrophobicContact CG-CD2 3.87Å; L70-L72 HydrophobicContact CG-CG 3.92Å; L72-M74 HydrophobicContact CB-SD 4.04Å; L72-M74 PolarHBondContact O-N 3.38Å; L72-V105 HydrophobicContact CB-CG2 3.89Å; L72-V105 HydrophobicContact CD1-CG2 4.43Å; L72-V105 HydrophobicContact CD2-CG2 4.36Å; L72-V105 HydrophobicContact CG-CG2 4.46Å; L72-R106 CarbonylContact C-O 3.51Å; L72-R106 WeakPolarHBondContact CA-O 3.33Å; L72-F136 HydrophobicContact CD2-CE2 3.76Å; L72-F136 HydrophobicContact CD2-CZ 3.88Å; L72-I140 HydrophobicContact CD2-CD1 4.31Å; L72-S181 CarbonylContact O-C 3.6Å; L72-S181 WeakPolarHBondContact O-CA 3.35Å; L72-S181 VanDerWaalsContact O-CB 3.3Å; L72-S181 WeakPolarHBondContact O-CB 3.42Å; L72-L182 HydrophobicContact CB-CB 4.4Å; L72-L182 PolarHBondContact N-O 3.36Å; L72-L182 PolarHBondContact O-N 3.41Å; L72-I184 HydrophobicContact CD1-CD1 4.06Å; L72-L233 HydrophobicContact CD1-CD1 3.79Å; L72-L233 HydrophobicContact CD1-CD2 3.78Å; L72-L233 HydrophobicContact CD1-CG 4.46Å
73	K	98.1	Very high	94.2	Very high	40 Å²	40	31.8 Å²	31.8	17%	0.174	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	123.7	173.5	-63.1	-145.6	161	-64.8	0	109.8	V105 R106 S181	K73-V105 WeakPolarHBondContact O-CA 3.45Å; K73-R106 HydrophobicContact CB-CG 3.86Å; K73-R106 PolarHBondContact N-O 3.01Å; K73-R106 PolarHBondContact O-N 3.4Å; K73-R106 VanDerWaalsContact O-N 3.08Å; K73-S181 PolarHBondContact NZ-OG 3.34Å
74	M	98.2	Very high	94.5	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	150.2	-170.8	-56.6	-56	-70.4	0	0	112.1	L72 H78 V105 S180 L182 Y226 V230 L233	L72-M74 HydrophobicContact CB-SD 4.04Å; L72-M74 PolarHBondContact O-N 3.38Å; M74-H78 PolarHBondContact O-CE1 2.9Å; M74-V105 HydrophobicContact CE-CG2 4.48Å; M74-V105 HydrophobicContact SD-CB 4.29Å; M74-V105 HydrophobicContact SD-CG2 3.67Å; M74-S180 PolarHBondContact N-O 3.21Å; M74-L182 HydrophobicContact CG-CB 4Å; M74-L182 HydrophobicContact SD-CB 3.98Å; M74-Y226 HydrophobicContact CB-CD2 3.53Å; M74-Y226 HydrophobicContact CB-CE1 4.32Å; M74-Y226 HydrophobicContact CB-CE2 3.26Å; M74-Y226 HydrophobicContact CB-CG 4.18Å; M74-Y226 HydrophobicContact CE-CE1 4.29Å; M74-Y226 HydrophobicContact CG-CD2 4.36Å; M74-Y226 HydrophobicContact CG-CE1 4.25Å; M74-Y226 HydrophobicContact CG-CE2 3.65Å; M74-V230 HydrophobicContact CE-CG2 4.03Å; M74-L233 HydrophobicContact CE-CD1 3.72Å; M74-L233 HydrophobicContact SD-CD1 4.07Å
75	G	97.2	Very high	94.6	Very high	5 Å²	5	35.7 Å²	35.7	5%	0.052	18%	0.183	C	C	.	.	S	Bend	trans	89.1	164.6	175.2	0	0	0	0	0	115.3	H78 A104 G225	G75-H78 PolarHBondContact O-NE2 3.5Å; G75-A104 WeakPolarHBondContact CA-O 3.43Å; G75-A104 PolarHBondContact N-O 3.49Å; G75-G225 WeakPolarHBondContact CA-O 3.48Å
76	T	93.8	Very high	94.8	Very high	59 Å²	59	36.7 Å²	36.7	36%	0.362	19%	0.187	S	C	.	.	S	Bend	trans	-84.1	-21.9	174.5	55.1	0	0	0	0	112.3	S95 A104	T76-S95 PolarHBondContact O-OG 2.89Å; T76-A104 HydrophobicContact CG2-CB 3.67Å
77	R	94	Very high	94.8	Very high	56 Å²	56	35.7 Å²	35.7	21%	0.211	18%	0.184	C	C	.	.			trans	-114.5	121.3	-178.9	178.3	174.9	169.6	-165.7	3.5	111.9	Y79 G80 D81 Y178	R77-Y79 HydrophobicContact CG-CD1 4.04Å; R77-Y79 HydrophobicContact CG-CD2 4.38Å; R77-Y79 HydrophobicContact CG-CE1 3.76Å; R77-Y79 HydrophobicContact CG-CE2 4.15Å; R77-Y79 HydrophobicContact CG-CG 4.33Å; R77-Y79 PolarHBondContact NE-O 3.33Å; R77-Y79 PolarHBondContact NH2-O 2.87Å; R77-G80 PolarHBondContact NH2-O 3.36Å; R77-D81 IonicContact CZ-OD1 3.35Å; R77-D81 IonicContact NH1-OD1 3.24Å; R77-D81 PolarHBondContact NH1-OD1 3.44Å; R77-D81 IonicContact NH2-OD1 3.35Å; R77-D81 PolarHBondContact NH2-OD1 3.46Å; R77-Y178 HydrophobicContact CB-CD1 4.07Å; R77-Y178 HydrophobicContact CB-CE1 4.14Å; R77-Y178 VanDerWaalsContact CD-CE1 3.47Å; R77-Y178 HydrophobicContact CG-CD1 3.78Å; R77-Y178 HydrophobicContact CG-CE1 3.88Å; R77-Y178 PolarHBondContact NH1-OH 3.31Å
78	H	93.9	Very high	94.8	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	20%	0.199	C	C	.	.			trans	-114.6	25.6	-174.9	-69	-89.8	0	0	0	114.2	M74 G75 Q91 S100 R106	M74-H78 PolarHBondContact O-CE1 2.9Å; G75-H78 PolarHBondContact O-NE2 3.5Å; H78-Q91 HydrophobicContact CB-CB 4.32Å; H78-Q91 VanDerWaalsContact O-CD 3.3Å; H78-Q91 WeakPolarHBondContact O-CG 3.39Å; H78-Q91 PolarHBondContact O-NE2 2.96Å; H78-S100 PolarHBondContact NE2-OG 2.82Å; H78-R106 PolarHBondContact CE1-NH2 2.77Å; H78-R106 PolarHBondContact ND1-NH2 3.4Å
79	Y	93.4	Very high	94.7	Very high	37 Å²	37	47.5 Å²	47.5	15%	0.145	23%	0.229	C	C	.	.	S	Bend	trans	-137.1	135.8	177.8	56.2	-90.7	0	0	0	109.7	R77 A83 R88 Q91 K92	R77-Y79 HydrophobicContact CG-CD1 4.04Å; R77-Y79 HydrophobicContact CG-CD2 4.38Å; R77-Y79 HydrophobicContact CG-CE1 3.76Å; R77-Y79 HydrophobicContact CG-CE2 4.15Å; R77-Y79 HydrophobicContact CG-CG 4.33Å; R77-Y79 PolarHBondContact NE-O 3.33Å; R77-Y79 PolarHBondContact NH2-O 2.87Å; Y79-A83 HydrophobicContact CD2-CB 4.34Å; Y79-R88 HydrophobicContact CD2-CB 4.43Å; Y79-R88 HydrophobicContact CD2-CG 3.71Å; Y79-R88 HydrophobicContact CE2-CG 4.04Å; Y79-R88 HydrophobicContact CG-CG 4.14Å; Y79-Q91 HydrophobicContact CD1-CB 4.05Å; Y79-K92 HydrophobicContact CD1-CG 4.38Å; Y79-K92 HydrophobicContact CE1-CD 4.36Å; Y79-K92 HydrophobicContact CE1-CG 3.67Å; Y79-K92 WeakPolarHBondContact OH-CE 3.37Å
80	G	92	Very high	94.6	Very high	2 Å²	2	49 Å²	49	2%	0.021	23%	0.231	C	C	.	.			trans	-64.1	171.3	172.5	0	0	0	0	0	112.4	R77 D82 A83	R77-G80 PolarHBondContact NH2-O 3.36Å; G80-D82 VanDerWaalsContact C-N 3.31Å; G80-A83 WeakPolarHBondContact O-CB 3.33Å; G80-A83 PolarHBondContact O-N 3.38Å
81	D	91	Very high	94.3	Very high	26 Å²	26	49.5 Å²	49.5	14%	0.139	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-34	179.7	-69.2	-43.1	0	0	0	112	R77 A83 R88 P217 H219	R77-D81 IonicContact CZ-OD1 3.35Å; R77-D81 IonicContact NH1-OD1 3.24Å; R77-D81 PolarHBondContact NH1-OD1 3.44Å; R77-D81 IonicContact NH2-OD1 3.35Å; R77-D81 PolarHBondContact NH2-OD1 3.46Å; D81-A83 PolarHBondContact O-N 3.22Å; D81-R88 PolarHBondContact O-NH2 3.04Å; D81-P217 HydrophobicContact CB-CG 3.67Å; D81-H219 IonicContact OD1-NE2 3.89Å; D81-H219 IonicContact OD2-CD2 2.78Å; D81-H219 IonicContact OD2-CE1 3.76Å; D81-H219 IonicContact OD2-NE2 3.24Å; D81-H219 PolarHBondContact OD2-NE2 2.91Å
82	D	89.4	Confident	94.1	Very high	117 Å²	117	52.5 Å²	52.5	63%	0.626	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-5.2	175.1	76.5	-31.4	0	0	0	115.6	G80 S84	G80-D82 VanDerWaalsContact C-N 3.31Å; D82-S84 PolarHBondContact O-N 3.46Å
83	A	91.3	Very high	93.9	Very high	5 Å²	5	54.3 Å²	54.3	4%	0.041	26%	0.26	C	S	.	.			trans	-66.9	129.6	-169.1	0	0	0	0	0	112.3	Y79 G80 D81 K87 R88	Y79-A83 HydrophobicContact CD2-CB 4.34Å; G80-A83 WeakPolarHBondContact O-CB 3.33Å; G80-A83 PolarHBondContact O-N 3.38Å; D81-A83 PolarHBondContact O-N 3.22Å; A83-K87 HydrophobicContact CB-CB 4.34Å; A83-K87 HydrophobicContact CB-CD 3.89Å; A83-K87 HydrophobicContact CB-CG 4.2Å; A83-R88 HydrophobicContact CB-CG 3.75Å; A83-R88 WeakPolarHBondContact O-CD 3.31Å; A83-R88 WeakPolarHBondContact O-CG 3.34Å; A83-R88 PolarHBondContact O-NE 3.39Å
84	S	94.2	Very high	93.7	Very high	73 Å²	73	55 Å²	55	51%	0.51	26%	0.263	S	S	.	.			trans	-58.5	154.4	171.5	70.7	0	0	0	0	112.2	D82 H86 K87 R88	D82-S84 PolarHBondContact O-N 3.46Å; S84-H86 PolarHBondContact O-N 3.26Å; S84-K87 CarbonylContact O-C 3.57Å; S84-K87 WeakPolarHBondContact O-CA 3.25Å; S84-K87 WeakPolarHBondContact O-CB 3.5Å; S84-K87 PolarHBondContact O-N 2.89Å; S84-K87 PolarHBondContact OG-N 3.1Å; S84-R88 WeakPolarHBondContact O-CG 3.28Å; S84-R88 PolarHBondContact O-N 3.24Å
85	E	94.4	Very high	93.3	Very high	86 Å²	86	55.4 Å²	55.4	40%	0.402	27%	0.266	S	S	.	.	H	α-helix	trans	-57.1	-38.9	-177.3	-176.2	56.9	-155.6	0	0	112.5	K87 R88 R89	E85-K87 PolarHBondContact O-N 3.19Å; E85-R88 PolarHBondContact O-N 3.29Å; E85-R89 WeakPolarHBondContact O-CG 3.49Å; E85-R89 PolarHBondContact O-N 2.91Å; E85-R89 IonicContact OE1-CZ 2.89Å; E85-R89 VanDerWaalsContact OE1-CZ 3.24Å; E85-R89 IonicContact OE1-NE 3.87Å; E85-R89 PolarHBondContact OE1-NE 3.4Å; E85-R89 IonicContact OE1-NH1 3.79Å; E85-R89 IonicContact OE1-NH2 3.04Å; E85-R89 PolarHBondContact OE1-NH2 2.82Å
86	H	94.4	Very high	93.2	Very high	138 Å²	138	61.2 Å²	61.2	64%	0.639	30%	0.295	S	S	*	.	H	α-helix	trans	-61.2	-44.1	173	179.6	-93.5	0	0	0	112.4	S84 R90	S84-H86 PolarHBondContact O-N 3.26Å; H86-R90 WeakPolarHBondContact O-CB 3.35Å; H86-R90 PolarHBondContact O-N 3.39Å
87	K	92.8	Very high	93.1	Very high	42 Å²	42	64.8 Å²	64.8	18%	0.183	31%	0.307	C	S	.	.	H	α-helix	trans	-64.8	-41	176.4	-175.3	-178.7	173.8	-166.1	0	111	A83 S84 E85 Q91 H207	A83-K87 HydrophobicContact CB-CB 4.34Å; A83-K87 HydrophobicContact CB-CD 3.89Å; A83-K87 HydrophobicContact CB-CG 4.2Å; S84-K87 CarbonylContact O-C 3.57Å; S84-K87 WeakPolarHBondContact O-CA 3.25Å; S84-K87 WeakPolarHBondContact O-CB 3.5Å; S84-K87 PolarHBondContact O-N 2.89Å; S84-K87 PolarHBondContact OG-N 3.1Å; E85-K87 PolarHBondContact O-N 3.19Å; K87-Q91 WeakPolarHBondContact O-CB 3.43Å; K87-Q91 VanDerWaalsContact O-CG 3.28Å; K87-Q91 WeakPolarHBondContact O-CG 3.47Å; K87-Q91 PolarHBondContact O-N 3.43Å; K87-H207 PolarHBondContact NZ-CE1 3.01Å; K87-H207 PolarHBondContact NZ-NE2 2.86Å
88	R	94.2	Very high	93.2	Very high	85 Å²	85	62.5 Å²	62.5	32%	0.321	30%	0.3	S	S	.	.	H	α-helix	trans	-60.2	-53.1	175.6	-68	179.5	-179.5	-173.6	-2	110.8	Y79 D81 A83 S84 E85 R90 Q91 K92	Y79-R88 HydrophobicContact CD2-CB 4.43Å; Y79-R88 HydrophobicContact CD2-CG 3.71Å; Y79-R88 HydrophobicContact CE2-CG 4.04Å; Y79-R88 HydrophobicContact CG-CG 4.14Å; D81-R88 PolarHBondContact O-NH2 3.04Å; A83-R88 HydrophobicContact CB-CG 3.75Å; A83-R88 WeakPolarHBondContact O-CD 3.31Å; A83-R88 WeakPolarHBondContact O-CG 3.34Å; A83-R88 PolarHBondContact O-NE 3.39Å; S84-R88 WeakPolarHBondContact O-CG 3.28Å; S84-R88 PolarHBondContact O-N 3.24Å; E85-R88 PolarHBondContact O-N 3.29Å; R88-R90 PolarHBondContact O-N 2.77Å; R88-Q91 PolarHBondContact O-N 2.96Å; R88-K92 WeakPolarHBondContact O-CB 3.26Å; R88-K92 WeakPolarHBondContact O-CG 3.44Å; R88-K92 PolarHBondContact O-N 2.78Å
89	R	95	Very high	93.3	Very high	163 Å²	163	62.6 Å²	62.6	62%	0.615	30%	0.301	S	S	*	.	H	α-helix	trans	-54.9	-49.3	177.4	-75.3	-174.5	175.1	117.7	8.2	112.2	E85 Q91 K92 A93	E85-R89 WeakPolarHBondContact O-CG 3.49Å; E85-R89 PolarHBondContact O-N 2.91Å; E85-R89 IonicContact OE1-CZ 2.89Å; E85-R89 VanDerWaalsContact OE1-CZ 3.24Å; E85-R89 IonicContact OE1-NE 3.87Å; E85-R89 PolarHBondContact OE1-NE 3.4Å; E85-R89 IonicContact OE1-NH1 3.79Å; E85-R89 IonicContact OE1-NH2 3.04Å; E85-R89 PolarHBondContact OE1-NH2 2.82Å; R89-Q91 PolarHBondContact O-N 2.98Å; R89-K92 PolarHBondContact O-N 2.84Å; R89-A93 WeakPolarHBondContact O-CB 3.47Å; R89-A93 PolarHBondContact O-N 2.72Å
90	R	94.1	Very high	93.5	Very high	58 Å²	58	60.8 Å²	60.8	22%	0.219	29%	0.294	C	S	.	.	H	α-helix	trans	-62.4	-39.7	179.4	-169.7	-179.2	69.6	-179.1	-3.6	113.1	H86 R88 K94	H86-R90 WeakPolarHBondContact O-CB 3.35Å; H86-R90 PolarHBondContact O-N 3.39Å; R88-R90 PolarHBondContact O-N 2.77Å; R90-K94 WeakPolarHBondContact O-CG 3.28Å; R90-K94 PolarHBondContact O-N 2.93Å
91	Q	93.3	Very high	93.7	Very high	10 Å²	10	63.3 Å²	63.3	5%	0.047	31%	0.311	C	S	.	.	H	α-helix	trans	-75.1	-34.7	178.7	-68	-72.6	59.6	0	0	112	H78 Y79 K87 R88 R89 S95	H78-Q91 HydrophobicContact CB-CB 4.32Å; H78-Q91 VanDerWaalsContact O-CD 3.3Å; H78-Q91 WeakPolarHBondContact O-CG 3.39Å; H78-Q91 PolarHBondContact O-NE2 2.96Å; Y79-Q91 HydrophobicContact CD1-CB 4.05Å; K87-Q91 WeakPolarHBondContact O-CB 3.43Å; K87-Q91 VanDerWaalsContact O-CG 3.28Å; K87-Q91 WeakPolarHBondContact O-CG 3.47Å; K87-Q91 PolarHBondContact O-N 3.43Å; R88-Q91 PolarHBondContact O-N 2.96Å; R89-Q91 PolarHBondContact O-N 2.98Å; Q91-S95 PolarHBondContact O-N 3.48Å
92	K	93.8	Very high	94	Very high	98 Å²	98	66.3 Å²	66.3	43%	0.426	33%	0.33	S	S	.	.	H	α-helix	trans	-62	-49.9	172	-76.3	-178.9	176.7	-177.6	0	111	Y79 R88 R89 K94 S95 L96	Y79-K92 HydrophobicContact CD1-CG 4.38Å; Y79-K92 HydrophobicContact CE1-CD 4.36Å; Y79-K92 HydrophobicContact CE1-CG 3.67Å; Y79-K92 WeakPolarHBondContact OH-CE 3.37Å; R88-K92 WeakPolarHBondContact O-CB 3.26Å; R88-K92 WeakPolarHBondContact O-CG 3.44Å; R88-K92 PolarHBondContact O-N 2.78Å; R89-K92 PolarHBondContact O-N 2.84Å; K92-K94 PolarHBondContact O-N 3.25Å; K92-S95 WeakPolarHBondContact O-CA 3.12Å; K92-S95 WeakPolarHBondContact O-CB 3.29Å; K92-S95 PolarHBondContact O-N 2.89Å; K92-L96 WeakPolarHBondContact O-CG 3.41Å; K92-L96 PolarHBondContact O-N 2.83Å
93	A	94.1	Very high	94.4	Very high	38 Å²	38	61.8 Å²	61.8	31%	0.314	31%	0.306	S	S	.	.	H	α-helix	trans	-53.4	-50.6	176.7	0	0	0	0	0	111.7	R89 S95 L96 E97	R89-A93 WeakPolarHBondContact O-CB 3.47Å; R89-A93 PolarHBondContact O-N 2.72Å; A93-S95 VanDerWaalsContact C-N 3.27Å; A93-S95 PolarHBondContact O-N 3.04Å; A93-L96 PolarHBondContact O-N 2.9Å; A93-E97 WeakPolarHBondContact O-CB 3.4Å; A93-E97 VanDerWaalsContact O-CG 3.31Å; A93-E97 WeakPolarHBondContact O-CG 3.19Å; A93-E97 PolarHBondContact O-N 3.36Å
94	K	92.5	Very high	94.7	Very high	56 Å²	56	61.6 Å²	61.6	24%	0.243	30%	0.304	C	S	.	.	H	α-helix	trans	-60.4	-32.6	175.7	-70.6	173.1	-176.4	-177.8	0	114.4	R90 K92 S98 R106	R90-K94 WeakPolarHBondContact O-CG 3.28Å; R90-K94 PolarHBondContact O-N 2.93Å; K92-K94 PolarHBondContact O-N 3.25Å; K94-S98 WeakPolarHBondContact O-CB 3.4Å; K94-S98 PolarHBondContact O-OG 3Å; K94-R106 PolarHBondContact O-NH1 2.78Å; K94-R106 VanDerWaalsContact O-NH1 3.08Å
95	S	91.8	Very high	94.9	Very high	8 Å²	8	58.1 Å²	58.1	6%	0.056	28%	0.28	C	S	.	.	H	α-helix	trans	-70.4	-46.9	177.2	-155.4	0	0	0	0	110.2	T76 Q91 K92 A93 S98 S100 S101	T76-S95 PolarHBondContact O-OG 2.89Å; Q91-S95 PolarHBondContact O-N 3.48Å; K92-S95 WeakPolarHBondContact O-CA 3.12Å; K92-S95 WeakPolarHBondContact O-CB 3.29Å; K92-S95 PolarHBondContact O-N 2.89Å; A93-S95 VanDerWaalsContact C-N 3.27Å; A93-S95 PolarHBondContact O-N 3.04Å; S95-S98 PolarHBondContact O-N 2.99Å; S95-S98 VanDerWaalsContact O-O 3.1Å; S95-S98 PolarHBondContact O-OG 3.34Å; S95-S100 WeakPolarHBondContact OG-CB 3.24Å; S95-S101 WeakPolarHBondContact O-CB 3.29Å; S95-S101 PolarHBondContact O-N 3.25Å
96	L	93.4	Very high	95.1	Very high	128 Å²	128	54.5 Å²	54.5	67%	0.67	26%	0.262	S	S	*	.	H	α-helix	trans	-62.4	-42	178.9	-69.1	169.9	0	0	0	112.5	K92 A93 S98 S101	K92-L96 WeakPolarHBondContact O-CG 3.41Å; K92-L96 PolarHBondContact O-N 2.83Å; A93-L96 PolarHBondContact O-N 2.9Å; L96-S98 PolarHBondContact O-N 3.17Å; L96-S101 PolarHBondContact O-OG 2.97Å
97	E	91.8	Very high	95.3	Very high	133 Å²	133	48 Å²	48	62%	0.621	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	1.7	178.6	-69.9	167.9	-169.6	0	0	114.2	A93	A93-E97 WeakPolarHBondContact O-CB 3.4Å; A93-E97 VanDerWaalsContact O-CG 3.31Å; A93-E97 WeakPolarHBondContact O-CG 3.19Å; A93-E97 PolarHBondContact O-N 3.36Å
98	S	95.6	Very high	95.5	Very high	8 Å²	8	46.6 Å²	46.6	6%	0.056	23%	0.23	C	C	.	.	S	Bend	trans	-133.6	174.4	-173.1	71.1	0	0	0	0	111.4	K94 S95 L96 S100 S101 R106	K94-S98 WeakPolarHBondContact O-CB 3.4Å; K94-S98 PolarHBondContact O-OG 3Å; S95-S98 PolarHBondContact O-N 2.99Å; S95-S98 VanDerWaalsContact O-O 3.1Å; S95-S98 PolarHBondContact O-OG 3.34Å; L96-S98 PolarHBondContact O-N 3.17Å; S98-S100 PolarHBondContact O-N 3.35Å; S98-S100 VanDerWaalsContact O-N 3.07Å; S98-S100 WeakPolarHBondContact OG-CB 3.28Å; S98-S100 PolarHBondContact OG-N 3.1Å; S98-S100 PolarHBondContact OG-OG 3.22Å; S98-S101 PolarHBondContact O-N 3.45Å; S98-S101 PolarHBondContact O-OG 2.97Å; S98-R106 WeakPolarHBondContact OG-CD 3.06Å; S98-R106 PolarHBondContact OG-NH1 2.83Å
99	T	97.6	Very high	95.5	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.018	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-11.9	173.7	53.9	0	0	0	0	114.5	S101 T102 I103 V105 R106 V133 F136	T99-S101 PolarHBondContact O-N 3.26Å; T99-T102 PolarHBondContact O-N 3.25Å; T99-I103 VanDerWaalsContact O-CG1 3.25Å; T99-I103 WeakPolarHBondContact O-CG1 3.5Å; T99-I103 PolarHBondContact O-N 3.22Å; T99-V105 CarbonylContact C-O 3.41Å; T99-V105 VanDerWaalsContact CB-O 3.28Å; T99-V105 WeakPolarHBondContact CB-O 3.48Å; T99-V105 PolarHBondContact OG1-O 3.43Å; T99-R106 VanDerWaalsContact OG1-CA 3.32Å; T99-R106 WeakPolarHBondContact OG1-CA 3.44Å; T99-R106 WeakPolarHBondContact OG1-CB 3.26Å; T99-V133 HydrophobicContact CG2-CG2 4.23Å; T99-F136 HydrophobicContact CG2-CB 4Å
100	S	97.5	Very high	95.6	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.2	-29.1	175.9	-63.7	0	0	0	0	113.5	H78 S95 S98 A104 V105 R106	H78-S100 PolarHBondContact NE2-OG 2.82Å; S95-S100 WeakPolarHBondContact OG-CB 3.24Å; S98-S100 PolarHBondContact O-N 3.35Å; S98-S100 VanDerWaalsContact O-N 3.07Å; S98-S100 WeakPolarHBondContact OG-CB 3.28Å; S98-S100 PolarHBondContact OG-N 3.1Å; S98-S100 PolarHBondContact OG-OG 3.22Å; S100-A104 VanDerWaalsContact O-CA 3.3Å; S100-A104 WeakPolarHBondContact O-CA 3.34Å; S100-A104 PolarHBondContact O-N 3.37Å; S100-V105 PolarHBondContact N-O 2.95Å; S100-R106 VanDerWaalsContact OG-CD 3.3Å; S100-R106 WeakPolarHBondContact OG-CD 3.43Å; S100-R106 VanDerWaalsContact OG-CG 3.28Å; S100-R106 WeakPolarHBondContact OG-CG 3.42Å
101	S	95.7	Very high	95.6	Very high	55 Å²	55	33.8 Å²	33.8	39%	0.385	19%	0.188	S	C	.	.	H	α-helix	trans	-73.3	-30.1	177.8	58.4	0	0	0	0	112.9	S95 L96 S98 T99	S95-S101 WeakPolarHBondContact O-CB 3.29Å; S95-S101 PolarHBondContact O-N 3.25Å; L96-S101 PolarHBondContact O-OG 2.97Å; S98-S101 PolarHBondContact O-N 3.45Å; S98-S101 PolarHBondContact O-OG 2.97Å; T99-S101 PolarHBondContact O-N 3.26Å
102	T	97.1	Very high	95.8	Very high	88 Å²	88	33.7 Å²	33.7	54%	0.54	19%	0.188	S	C	.	.	H	α-helix	trans	-96.9	-51	-175.6	-48.5	0	0	0	0	112.7	T99 V133	T99-T102 PolarHBondContact O-N 3.25Å; T102-V133 HydrophobicContact CG2-CG2 3.98Å
103	I	98	Very high	95.8	Very high	23 Å²	23	29 Å²	29	12%	0.118	17%	0.168	C	C	.	.	H	α-helix	trans	-116.3	9.7	-172.2	59	164	0	0	0	113	T99 V105 V133 F136 S232 I236	T99-I103 VanDerWaalsContact O-CG1 3.25Å; T99-I103 WeakPolarHBondContact O-CG1 3.5Å; T99-I103 PolarHBondContact O-N 3.22Å; I103-V105 HydrophobicContact CD1-CG1 3.68Å; I103-V105 HydrophobicContact CG1-CG1 3.91Å; I103-V105 PolarHBondContact O-N 3.27Å; I103-V133 HydrophobicContact CD1-CG1 4.28Å; I103-V133 HydrophobicContact CG2-CG1 4.07Å; I103-V133 HydrophobicContact CG2-CG2 4.2Å; I103-F136 HydrophobicContact CD1-CD1 3.61Å; I103-F136 HydrophobicContact CD1-CE1 3.93Å; I103-F136 HydrophobicContact CD1-CG 4.32Å; I103-S232 VanDerWaalsContact O-CB 3.3Å; I103-S232 WeakPolarHBondContact O-CB 3.28Å; I103-S232 PolarHBondContact O-OG 3.3Å; I103-I236 HydrophobicContact CD1-CD1 4.47Å
104	A	98.3	Very high	95.9	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.164	C	C	.	.	S	Bend	trans	56.8	22.3	177.4	0	0	0	0	0	114.8	G75 T76 S100 Q228 G229	G75-A104 WeakPolarHBondContact CA-O 3.43Å; G75-A104 PolarHBondContact N-O 3.49Å; T76-A104 HydrophobicContact CG2-CB 3.67Å; S100-A104 VanDerWaalsContact O-CA 3.3Å; S100-A104 WeakPolarHBondContact O-CA 3.34Å; S100-A104 PolarHBondContact O-N 3.37Å; A104-Q228 HydrophobicContact CB-CB 3.82Å; A104-Q228 HydrophobicContact CB-CG 3.73Å; A104-G229 WeakPolarHBondContact O-CA 3.49Å
105	V	98.5	Very high	96	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	147.1	173.6	62.6	0	0	0	0	109.9	L72 K73 M74 T99 S100 I103 F136 L233	L72-V105 HydrophobicContact CB-CG2 3.89Å; L72-V105 HydrophobicContact CD1-CG2 4.43Å; L72-V105 HydrophobicContact CD2-CG2 4.36Å; L72-V105 HydrophobicContact CG-CG2 4.46Å; K73-V105 WeakPolarHBondContact O-CA 3.45Å; M74-V105 HydrophobicContact CE-CG2 4.48Å; M74-V105 HydrophobicContact SD-CB 4.29Å; M74-V105 HydrophobicContact SD-CG2 3.67Å; T99-V105 CarbonylContact C-O 3.41Å; T99-V105 VanDerWaalsContact CB-O 3.28Å; T99-V105 WeakPolarHBondContact CB-O 3.48Å; T99-V105 PolarHBondContact OG1-O 3.43Å; S100-V105 PolarHBondContact N-O 2.95Å; I103-V105 HydrophobicContact CD1-CG1 3.68Å; I103-V105 HydrophobicContact CG1-CG1 3.91Å; I103-V105 PolarHBondContact O-N 3.27Å; V105-F136 HydrophobicContact CB-CZ 4.44Å; V105-F136 HydrophobicContact CG1-CE1 3.74Å; V105-F136 HydrophobicContact CG1-CZ 3.74Å; V105-F136 HydrophobicContact CG2-CE2 4.43Å; V105-F136 HydrophobicContact CG2-CZ 3.86Å; V105-L233 HydrophobicContact CG1-CD2 4.26Å; V105-L233 HydrophobicContact CG1-CG 4.41Å; V105-L233 HydrophobicContact CG2-CD1 4.35Å; V105-L233 HydrophobicContact CG2-CD2 4.26Å; V105-L233 HydrophobicContact CG2-CG 4.42Å
106	R	97.9	Very high	96	Very high	11 Å²	11	34.3 Å²	34.3	4%	0.042	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	157.2	169.2	68.9	179.7	172.4	-127.6	-15.4	111.5	L72 K73 H78 K94 S98 T99 S100 G108	L72-R106 CarbonylContact C-O 3.51Å; L72-R106 WeakPolarHBondContact CA-O 3.33Å; K73-R106 HydrophobicContact CB-CG 3.86Å; K73-R106 PolarHBondContact N-O 3.01Å; K73-R106 PolarHBondContact O-N 3.4Å; K73-R106 VanDerWaalsContact O-N 3.08Å; H78-R106 PolarHBondContact CE1-NH2 2.77Å; H78-R106 PolarHBondContact ND1-NH2 3.4Å; K94-R106 PolarHBondContact O-NH1 2.78Å; K94-R106 VanDerWaalsContact O-NH1 3.08Å; S98-R106 WeakPolarHBondContact OG-CD 3.06Å; S98-R106 PolarHBondContact OG-NH1 2.83Å; T99-R106 VanDerWaalsContact OG1-CA 3.32Å; T99-R106 WeakPolarHBondContact OG1-CA 3.44Å; T99-R106 WeakPolarHBondContact OG1-CB 3.26Å; S100-R106 VanDerWaalsContact OG-CD 3.3Å; S100-R106 WeakPolarHBondContact OG-CD 3.43Å; S100-R106 VanDerWaalsContact OG-CG 3.28Å; S100-R106 WeakPolarHBondContact OG-CG 3.42Å; R106-G108 PolarHBondContact O-N 2.99Å
107	L	98.1	Very high	96.1	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	120.7	174.6	-172.5	157.8	0	0	0	110.2	L70 M110 Y127 G128 L131 F136	L70-L107 HydrophobicContact CD1-CD1 4.17Å; L70-L107 HydrophobicContact CD1-CG 4.12Å; L107-M110 HydrophobicContact CD1-CB 4.09Å; L107-M110 HydrophobicContact CD1-CE 4.45Å; L107-M110 HydrophobicContact CD1-SD 4.23Å; L107-M110 HydrophobicContact CD2-CB 4.4Å; L107-M110 HydrophobicContact CG-CB 4.47Å; L107-Y127 HydrophobicContact CD1-CD1 4.47Å; L107-Y127 HydrophobicContact CD1-CE1 4.41Å; L107-Y127 HydrophobicContact CD2-CD1 4.38Å; L107-G128 WeakPolarHBondContact O-CA 3.45Å; L107-L131 HydrophobicContact CB-CD1 4.31Å; L107-L131 HydrophobicContact CD1-CD1 4.25Å; L107-F136 HydrophobicContact CB-CD2 4.28Å; L107-F136 HydrophobicContact CB-CE2 4.23Å
108	G	96.3	Very high	96.1	Very high	13 Å²	13	29 Å²	29	13%	0.134	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-31.1	175.5	0	0	0	0	0	113	D71 R106 K125	D71-G108 WeakPolarHBondContact O-CA 3.31Å; D71-G108 PolarHBondContact O-N 3.18Å; R106-G108 PolarHBondContact O-N 2.99Å; G108-K125 WeakPolarHBondContact O-CA 3.11Å; G108-K125 VanDerWaalsContact O-CB 3.24Å; G108-K125 WeakPolarHBondContact O-CB 3.37Å; G108-K125 PolarHBondContact O-N 3.33Å
109	G	95.8	Very high	96	Very high	18 Å²	18	29.9 Å²	29.9	19%	0.186	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.7	155	172.9	0	0	0	0	0	109.6	D71 Y123	D71-G109 PolarHBondContact N-O 3.47Å; D71-G109 PolarHBondContact O-N 3.23Å; G109-Y123 CarbonylContact C-O 3.45Å; G109-Y123 VanDerWaalsContact CA-O 3.31Å; G109-Y123 WeakPolarHBondContact CA-O 3.38Å
110	M	96.6	Very high	95.8	Very high	8 Å²	8	29.8 Å²	29.8	4%	0.039	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	138.3	-179.2	-178.1	172	73.3	0	0	110	V69 L70 L107 C122 Y123 F143	V69-M110 CarbonylContact O-C 3.57Å; V69-M110 WeakPolarHBondContact O-CA 3.5Å; L70-M110 HydrophobicContact CD1-CB 3.9Å; L70-M110 HydrophobicContact CD1-CG 4.01Å; L70-M110 HydrophobicContact CD1-SD 4.12Å; L107-M110 HydrophobicContact CD1-CB 4.09Å; L107-M110 HydrophobicContact CD1-CE 4.45Å; L107-M110 HydrophobicContact CD1-SD 4.23Å; L107-M110 HydrophobicContact CD2-CB 4.4Å; L107-M110 HydrophobicContact CG-CB 4.47Å; M110-C122 CarbonylContact O-C 3.58Å; M110-C122 VanDerWaalsContact O-CA 3.28Å; M110-C122 WeakPolarHBondContact O-CA 3.39Å; M110-Y123 HydrophobicContact CB-CD2 4.14Å; M110-Y123 HydrophobicContact CE-CD2 3.22Å; M110-Y123 HydrophobicContact CE-CE2 3.39Å; M110-Y123 HydrophobicContact CE-CG 3.89Å; M110-Y123 HydrophobicContact CG-CD2 4.29Å; M110-Y123 PolarHBondContact N-O 3.16Å; M110-Y123 PolarHBondContact O-N 3.32Å; M110-F143 HydrophobicContact CG-CD2 3.84Å; M110-F143 HydrophobicContact SD-CB 3.66Å; M110-F143 HydrophobicContact SD-CD2 4.01Å; M110-F143 HydrophobicContact SD-CG 4.23Å
111	Q	95	Very high	95.6	Very high	10 Å²	10	30.2 Å²	30.2	5%	0.047	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	122.5	167.3	174.6	179.6	-79.6	0	0	107	Y22 N30 P67 S68 V69 Y120 T121	Y22-Q111 PolarHBondContact OH-OE1 3.26Å; N30-Q111 PolarHBondContact ND2-OE1 3.08Å; P67-Q111 PolarHBondContact O-NE2 2.94Å; P67-Q111 VanDerWaalsContact O-NE2 3.1Å; S68-Q111 CarbonylContact C-O 3.59Å; S68-Q111 VanDerWaalsContact CA-O 3.23Å; S68-Q111 WeakPolarHBondContact CA-O 3.44Å; V69-Q111 PolarHBondContact N-O 2.9Å; V69-Q111 PolarHBondContact O-N 2.96Å; Q111-Y120 HydrophobicContact CG-CD1 3.36Å; Q111-Y120 HydrophobicContact CG-CE1 3.85Å; Q111-Y120 HydrophobicContact CG-CG 4.12Å; Q111-T121 WeakPolarHBondContact CA-O 3.41Å
112	V	95.9	Very high	95.5	Very high	8 Å²	8	28 Å²	28	5%	0.048	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	132.3	178.3	63.2	0	0	0	0	109.8	Y120 T121 Y123 F143	V112-Y120 WeakPolarHBondContact O-CA 3.23Å; V112-T121 PolarHBondContact N-O 3.06Å; V112-T121 PolarHBondContact O-N 3.29Å; V112-Y123 HydrophobicContact CG1-CE2 4.47Å; V112-F143 WeakPolarHBondContact CG2-O 3.35Å
113	F	95.2	Very high	95.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	124.6	172.8	-176.9	-113	0	0	0	110	Y66 S68 Q115 K118 Y120 D189	Y66-F113 HydrophobicContact CD1-CD2 4.13Å; Y66-F113 HydrophobicContact CD1-CE1 4.14Å; Y66-F113 AromaticContact CD1-CE2 3.6Å; Y66-F113 HydrophobicContact CD1-CE2 3.6Å; Y66-F113 AromaticContact CD1-CZ 3.58Å; Y66-F113 HydrophobicContact CD1-CZ 3.58Å; Y66-F113 HydrophobicContact CD2-CE1 4.23Å; Y66-F113 HydrophobicContact CD2-CZ 4.34Å; Y66-F113 HydrophobicContact CE1-CE2 4.2Å; Y66-F113 HydrophobicContact CE1-CZ 4.01Å; Y66-F113 HydrophobicContact CG-CD1 4.18Å; Y66-F113 HydrophobicContact CG-CD2 4.4Å; Y66-F113 AromaticContact CG-CE1 3.81Å; Y66-F113 HydrophobicContact CG-CE1 3.81Å; Y66-F113 HydrophobicContact CG-CE2 4.09Å; Y66-F113 HydrophobicContact CG-CG 4.43Å; Y66-F113 AromaticContact CG-CZ 3.76Å; Y66-F113 HydrophobicContact CG-CZ 3.76Å; S68-F113 PolarHBondContact OG-N 2.82Å; F113-Q115 HydrophobicContact CD1-CB 4.4Å; F113-Q115 HydrophobicContact CE1-CB 4.15Å; F113-Q115 HydrophobicContact CE1-CG 4.36Å; F113-K118 HydrophobicContact CE1-CD 4.36Å; F113-K118 HydrophobicContact CZ-CB 4.45Å; F113-K118 HydrophobicContact CZ-CD 3.71Å; F113-Y120 HydrophobicContact CB-CD1 3.91Å; F113-Y120 HydrophobicContact CB-CE1 3.55Å; F113-Y120 HydrophobicContact CD2-CD1 4.22Å; F113-Y120 HydrophobicContact CD2-CD2 4.16Å; F113-Y120 HydrophobicContact CD2-CE1 4Å; F113-Y120 AromaticContact CD2-CE2 3.93Å; F113-Y120 HydrophobicContact CD2-CE2 3.93Å; F113-Y120 HydrophobicContact CD2-CG 4.33Å; F113-Y120 AromaticContact CD2-CZ 3.87Å; F113-Y120 HydrophobicContact CG-CE1 4.2Å; F113-D189 HydrophobicContact CE1-CB 4.4Å
114	D	95	Very high	95.2	Very high	43 Å²	43	25.2 Å²	25.2	23%	0.23	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	111.6	168.4	-175	-42.9	0	0	0	108.6	K116 T117 K118 T119	D114-K116 VanDerWaalsContact C-N 3.3Å; D114-K116 PolarHBondContact O-N 3.33Å; D114-K116 WeakPolarHBondContact OD1-CA 3.35Å; D114-K116 VanDerWaalsContact OD1-CB 3.29Å; D114-K116 WeakPolarHBondContact OD1-CB 3.5Å; D114-K116 PolarHBondContact OD1-N 3.45Å; D114-T117 VanDerWaalsContact CB-OG1 3.26Å; D114-T117 WeakPolarHBondContact CB-OG1 3.36Å; D114-T117 PolarHBondContact OD1-N 3.12Å; D114-T117 PolarHBondContact OD1-OG1 2.99Å; D114-K118 WeakPolarHBondContact O-CA 3.39Å; D114-K118 PolarHBondContact O-N 3.38Å; D114-T119 PolarHBondContact N-O 3.25Å; D114-T119 PolarHBondContact O-N 3.41Å
115	Q	94	Very high	94.9	Very high	8 Å²	8	29.6 Å²	29.6	4%	0.037	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-26.8	-177.4	-168.2	179.9	-12.3	0	0	112.4	F113 K118 N146 I148 D189	F113-Q115 HydrophobicContact CD1-CB 4.4Å; F113-Q115 HydrophobicContact CE1-CB 4.15Å; F113-Q115 HydrophobicContact CE1-CG 4.36Å; Q115-K118 VanDerWaalsContact O-CD 3.3Å; Q115-K118 WeakPolarHBondContact O-CD 3.38Å; Q115-K118 WeakPolarHBondContact O-CE 3.41Å; Q115-N146 HydrophobicContact CB-CB 4.42Å; Q115-N146 WeakPolarHBondContact CB-O 3.37Å; Q115-N146 PolarHBondContact N-O 3.44Å; Q115-N146 PolarHBondContact OE1-ND2 3.48Å; Q115-I148 HydrophobicContact CB-CD1 4.02Å; Q115-I148 HydrophobicContact CB-CG1 4.46Å; Q115-I148 HydrophobicContact CG-CD1 3.92Å; Q115-D189 PolarHBondContact NE2-OD1 3.3Å
116	K	93.6	Very high	94.7	Very high	162 Å²	162	31.8 Å²	31.8	70%	0.704	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-46.4	179.5	179.6	-176.6	178.8	-179	0	110.8	D114 I148	D114-K116 VanDerWaalsContact C-N 3.3Å; D114-K116 PolarHBondContact O-N 3.33Å; D114-K116 WeakPolarHBondContact OD1-CA 3.35Å; D114-K116 VanDerWaalsContact OD1-CB 3.29Å; D114-K116 WeakPolarHBondContact OD1-CB 3.5Å; D114-K116 PolarHBondContact OD1-N 3.45Å; K116-I148 HydrophobicContact CB-CG1 4.37Å
117	T	93.8	Very high	94.6	Very high	70 Å²	70	33.6 Å²	33.6	43%	0.429	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-12.4	-179.4	59.9	0	0	0	0	113.1	D114 T119	D114-T117 VanDerWaalsContact CB-OG1 3.26Å; D114-T117 WeakPolarHBondContact CB-OG1 3.36Å; D114-T117 PolarHBondContact OD1-N 3.12Å; D114-T117 PolarHBondContact OD1-OG1 2.99Å; T117-T119 PolarHBondContact O-N 3.15Å; T117-T119 PolarHBondContact OG1-OG1 3.49Å
118	K	92.7	Very high	94.5	Very high	79 Å²	79	33.6 Å²	33.6	34%	0.343	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	34.4	-173.7	-57	-65.3	-175.8	-177.7	0	112.4	S24 F113 D114 Q115 D189	S24-K118 WeakPolarHBondContact CB-O 3.18Å; S24-K118 PolarHBondContact N-O 2.88Å; F113-K118 HydrophobicContact CE1-CD 4.36Å; F113-K118 HydrophobicContact CZ-CB 4.45Å; F113-K118 HydrophobicContact CZ-CD 3.71Å; D114-K118 WeakPolarHBondContact O-CA 3.39Å; D114-K118 PolarHBondContact O-N 3.38Å; Q115-K118 VanDerWaalsContact O-CD 3.3Å; Q115-K118 WeakPolarHBondContact O-CD 3.38Å; Q115-K118 WeakPolarHBondContact O-CE 3.41Å; K118-D189 IonicContact NZ-OD2 3.66Å; K118-D189 PolarHBondContact NZ-OD2 2.96Å; K118-D189 VanDerWaalsContact NZ-OD2 3.14Å
119	T	93.1	Very high	94.4	Very high	28 Å²	28	35.4 Å²	35.4	17%	0.172	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	155.3	178.2	57.8	0	0	0	0	111.3	Y22 L23 D114 T117	Y22-T119 CarbonylContact O-C 3.21Å; Y22-T119 WeakPolarHBondContact O-CA 3.33Å; L23-T119 HydrophobicContact CD1-CG2 4.07Å; D114-T119 PolarHBondContact N-O 3.25Å; D114-T119 PolarHBondContact O-N 3.41Å; T117-T119 PolarHBondContact O-N 3.15Å; T117-T119 PolarHBondContact OG1-OG1 3.49Å
120	Y	93.6	Very high	94.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	143.1	163.9	-79.3	-75.9	0	0	0	110.2	Q21 Y22 Y66 P67 Q111 V112 F113	Q21-Y120 WeakPolarHBondContact CA-O 3.3Å; Y22-Y120 HydrophobicContact CD2-CD2 4.25Å; Y22-Y120 HydrophobicContact CE1-CD2 4.21Å; Y22-Y120 AromaticContact CE1-CG 3.99Å; Y22-Y120 HydrophobicContact CE1-CG 3.99Å; Y22-Y120 AromaticContact CE2-CD2 3.46Å; Y22-Y120 HydrophobicContact CE2-CD2 3.46Å; Y22-Y120 VanDerWaalsContact CE2-CD2 3.46Å; Y22-Y120 HydrophobicContact CE2-CE2 4.23Å; Y22-Y120 HydrophobicContact CE2-CG 4.09Å; Y22-Y120 AromaticContact CZ-CD2 3.43Å; Y22-Y120 VanDerWaalsContact CZ-CD2 3.43Å; Y22-Y120 AromaticContact CZ-CG 3.62Å; Y22-Y120 PolarHBondContact N-O 2.68Å; Y22-Y120 PolarHBondContact O-N 3.23Å; Y22-Y120 WeakPolarHBondContact OH-CD2 3.47Å; Y66-Y120 WeakPolarHBondContact CA-OH 3.42Å; P67-Y120 WeakPolarHBondContact CD-OH 3.3Å; P67-Y120 WeakPolarHBondContact O-CE1 3.15Å; Q111-Y120 HydrophobicContact CG-CD1 3.36Å; Q111-Y120 HydrophobicContact CG-CE1 3.85Å; Q111-Y120 HydrophobicContact CG-CG 4.12Å; V112-Y120 WeakPolarHBondContact O-CA 3.23Å; F113-Y120 HydrophobicContact CB-CD1 3.91Å; F113-Y120 HydrophobicContact CB-CE1 3.55Å; F113-Y120 HydrophobicContact CD2-CD1 4.22Å; F113-Y120 HydrophobicContact CD2-CD2 4.16Å; F113-Y120 HydrophobicContact CD2-CE1 4Å; F113-Y120 AromaticContact CD2-CE2 3.93Å; F113-Y120 HydrophobicContact CD2-CE2 3.93Å; F113-Y120 HydrophobicContact CD2-CG 4.33Å; F113-Y120 AromaticContact CD2-CZ 3.87Å; F113-Y120 HydrophobicContact CG-CE1 4.2Å
121	T	93.7	Very high	94.4	Very high	10 Å²	10	39.5 Å²	39.5	6%	0.061	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	127.6	161.9	-50.2	0	0	0	0	109.2	Q19 Q21 Q111 V112 Y123	Q19-T121 HydrophobicContact CG-CG2 3.87Å; Q21-T121 HydrophobicContact CG-CG2 3.83Å; Q21-T121 WeakPolarHBondContact CG-OG1 3.49Å; Q21-T121 PolarHBondContact NE2-OG1 2.97Å; Q111-T121 WeakPolarHBondContact CA-O 3.41Å; V112-T121 PolarHBondContact N-O 3.06Å; V112-T121 PolarHBondContact O-N 3.29Å; T121-Y123 HydrophobicContact CG2-CD2 4.38Å; T121-Y123 HydrophobicContact CG2-CE1 4.48Å; T121-Y123 HydrophobicContact CG2-CE2 3.49Å; T121-Y123 VanDerWaalsContact CG2-CE2 3.49Å; T121-Y123 VanDerWaalsContact CG2-OH 3.3Å; T121-Y123 WeakPolarHBondContact CG2-OH 3.22Å
122	C	94.2	Very high	94.5	Very high	7 Å²	7	42.5 Å²	42.5	5%	0.047	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	143.4	-179.6	-69.9	0	0	0	0	110.7	Q19 F20 M110	Q19-C122 CarbonylContact C-O 3.6Å; Q19-C122 WeakPolarHBondContact CA-O 3.38Å; F20-C122 HydrophobicContact CD1-CB 3.81Å; F20-C122 HydrophobicContact CD2-CB 4.17Å; F20-C122 HydrophobicContact CE1-CB 3.37Å; F20-C122 HydrophobicContact CE2-CB 3.76Å; F20-C122 HydrophobicContact CG-CB 4.19Å; F20-C122 HydrophobicContact CZ-CB 3.35Å; F20-C122 PolarHBondContact N-O 2.88Å; F20-C122 PolarHBondContact O-N 3.33Å; M110-C122 CarbonylContact O-C 3.58Å; M110-C122 VanDerWaalsContact O-CA 3.28Å; M110-C122 WeakPolarHBondContact O-CA 3.39Å
123	Y	94.4	Very high	94.6	Very high	15 Å²	15	44.2 Å²	44.2	6%	0.059	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	133.3	178.6	-59.4	-91.9	0	0	0	109	Q19 G109 M110 V112 T121 Y127 Q142	Q19-Y123 HydrophobicContact CB-CD1 4.06Å; Q19-Y123 HydrophobicContact CB-CE1 4.09Å; Q19-Y123 VanDerWaalsContact CD-CE1 3.42Å; Q19-Y123 HydrophobicContact CG-CD1 3.98Å; Q19-Y123 HydrophobicContact CG-CE1 3.61Å; Q19-Y123 PolarHBondContact NE2-OH 2.77Å; Q19-Y123 VanDerWaalsContact OE1-CE1 3.27Å; G109-Y123 CarbonylContact C-O 3.45Å; G109-Y123 VanDerWaalsContact CA-O 3.31Å; G109-Y123 WeakPolarHBondContact CA-O 3.38Å; M110-Y123 HydrophobicContact CB-CD2 4.14Å; M110-Y123 HydrophobicContact CE-CD2 3.22Å; M110-Y123 HydrophobicContact CE-CE2 3.39Å; M110-Y123 HydrophobicContact CE-CG 3.89Å; M110-Y123 HydrophobicContact CG-CD2 4.29Å; M110-Y123 PolarHBondContact N-O 3.16Å; M110-Y123 PolarHBondContact O-N 3.32Å; V112-Y123 HydrophobicContact CG1-CE2 4.47Å; T121-Y123 HydrophobicContact CG2-CD2 4.38Å; T121-Y123 HydrophobicContact CG2-CE1 4.48Å; T121-Y123 HydrophobicContact CG2-CE2 3.49Å; T121-Y123 VanDerWaalsContact CG2-CE2 3.49Å; T121-Y123 VanDerWaalsContact CG2-OH 3.3Å; T121-Y123 WeakPolarHBondContact CG2-OH 3.22Å; Y123-Y127 AromaticContact CD1-CD1 3.56Å; Y123-Y127 HydrophobicContact CD1-CD1 3.56Å; Y123-Y127 AromaticContact CD1-CD2 3.7Å; Y123-Y127 HydrophobicContact CD1-CD2 3.7Å; Y123-Y127 AromaticContact CD1-CE1 3.52Å; Y123-Y127 HydrophobicContact CD1-CE1 3.52Å; Y123-Y127 AromaticContact CD1-CE2 3.66Å; Y123-Y127 HydrophobicContact CD1-CE2 3.66Å; Y123-Y127 AromaticContact CD1-CG 3.65Å; Y123-Y127 HydrophobicContact CD1-CG 3.65Å; Y123-Y127 AromaticContact CD1-CZ 3.58Å; Y123-Y127 HydrophobicContact CE1-CD2 4.26Å; Y123-Y127 HydrophobicContact CE1-CE1 4.08Å; Y123-Y127 AromaticContact CE1-CE2 3.81Å; Y123-Y127 HydrophobicContact CE1-CE2 3.81Å; Y123-Y127 AromaticContact CE1-CZ 3.71Å; Y123-Y127 AromaticContact CG-CD1 3.98Å; Y123-Y127 HydrophobicContact CG-CD1 3.98Å; Y123-Y127 HydrophobicContact CG-CE1 4.08Å; Y123-Y127 HydrophobicContact CG-CG 4.35Å; Y123-Q142 PolarHBondContact OH-NE2 3.07Å
124	D	93	Very high	94.7	Very high	38 Å²	38	52.5 Å²	52.5	20%	0.203	26%	0.264	C	S	.	.			trans	-93	-179.8	-178.1	75.2	12.3	0	0	0	113.4	V18 Y126 Y127 G128	V18-D124 PolarHBondContact O-N 2.79Å; D124-Y126 PolarHBondContact O-N 2.91Å; D124-Y126 VanDerWaalsContact OD1-CA 3.28Å; D124-Y126 WeakPolarHBondContact OD1-CA 3.43Å; D124-Y126 VanDerWaalsContact OD1-CB 3.25Å; D124-Y126 WeakPolarHBondContact OD1-CB 3.49Å; D124-Y126 PolarHBondContact OD1-N 2.84Å; D124-Y126 WeakPolarHBondContact OD2-CD2 3.45Å; D124-Y127 PolarHBondContact O-N 2.77Å; D124-Y127 PolarHBondContact OD1-N 2.91Å; D124-G128 PolarHBondContact O-N 2.95Å
125	K	92.6	Very high	94.9	Very high	92 Å²	92	51 Å²	51	40%	0.4	26%	0.258	S	S	.	.	H	α-helix	trans	-63	-21.1	175.7	67.2	-173.7	-176.8	-161.9	0	113.7	D11 G108 R129	D11-K125 IonicContact OD2-NZ 3.48Å; D11-K125 PolarHBondContact OD2-NZ 2.89Å; D11-K125 VanDerWaalsContact OD2-NZ 3.15Å; G108-K125 WeakPolarHBondContact O-CA 3.11Å; G108-K125 VanDerWaalsContact O-CB 3.24Å; G108-K125 WeakPolarHBondContact O-CB 3.37Å; G108-K125 PolarHBondContact O-N 3.33Å; K125-R129 VanDerWaalsContact C-NH1 3.35Å; K125-R129 VanDerWaalsContact O-CG 3.31Å; K125-R129 WeakPolarHBondContact O-CG 3.47Å; K125-R129 PolarHBondContact O-N 3.06Å; K125-R129 PolarHBondContact O-NH1 3.31Å
126	Y	94.1	Very high	95.1	Very high	46 Å²	46	50.6 Å²	50.6	18%	0.18	26%	0.256	C	S	.	.	H	α-helix	trans	-81.2	-42.8	-179.8	-64.3	-85.8	0	0	0	110	D11 D124 G128 R129 A130	D11-Y126 PolarHBondContact OD2-OH 2.78Å; D124-Y126 PolarHBondContact O-N 2.91Å; D124-Y126 VanDerWaalsContact OD1-CA 3.28Å; D124-Y126 WeakPolarHBondContact OD1-CA 3.43Å; D124-Y126 VanDerWaalsContact OD1-CB 3.25Å; D124-Y126 WeakPolarHBondContact OD1-CB 3.49Å; D124-Y126 PolarHBondContact OD1-N 2.84Å; D124-Y126 WeakPolarHBondContact OD2-CD2 3.45Å; Y126-G128 VanDerWaalsContact C-N 3.34Å; Y126-G128 PolarHBondContact O-N 3.1Å; Y126-R129 PolarHBondContact O-N 2.85Å; Y126-A130 PolarHBondContact O-N 2.8Å
127	Y	95.4	Very high	95.3	Very high	50 Å²	50	46.2 Å²	46.2	20%	0.196	24%	0.239	C	C	.	.	H	α-helix	trans	-51.6	-54.9	167.6	176.8	-94.6	0	0	0	110.3	V18 L107 Y123 D124 R129 A130 L131	V18-Y127 HydrophobicContact CG2-CD2 4.42Å; L107-Y127 HydrophobicContact CD1-CD1 4.47Å; L107-Y127 HydrophobicContact CD1-CE1 4.41Å; L107-Y127 HydrophobicContact CD2-CD1 4.38Å; Y123-Y127 AromaticContact CD1-CD1 3.56Å; Y123-Y127 HydrophobicContact CD1-CD1 3.56Å; Y123-Y127 AromaticContact CD1-CD2 3.7Å; Y123-Y127 HydrophobicContact CD1-CD2 3.7Å; Y123-Y127 AromaticContact CD1-CE1 3.52Å; Y123-Y127 HydrophobicContact CD1-CE1 3.52Å; Y123-Y127 AromaticContact CD1-CE2 3.66Å; Y123-Y127 HydrophobicContact CD1-CE2 3.66Å; Y123-Y127 AromaticContact CD1-CG 3.65Å; Y123-Y127 HydrophobicContact CD1-CG 3.65Å; Y123-Y127 AromaticContact CD1-CZ 3.58Å; Y123-Y127 HydrophobicContact CE1-CD2 4.26Å; Y123-Y127 HydrophobicContact CE1-CE1 4.08Å; Y123-Y127 AromaticContact CE1-CE2 3.81Å; Y123-Y127 HydrophobicContact CE1-CE2 3.81Å; Y123-Y127 AromaticContact CE1-CZ 3.71Å; Y123-Y127 AromaticContact CG-CD1 3.98Å; Y123-Y127 HydrophobicContact CG-CD1 3.98Å; Y123-Y127 HydrophobicContact CG-CE1 4.08Å; Y123-Y127 HydrophobicContact CG-CG 4.35Å; D124-Y127 PolarHBondContact O-N 2.77Å; D124-Y127 PolarHBondContact OD1-N 2.91Å; Y127-R129 VanDerWaalsContact C-N 3.26Å; Y127-R129 PolarHBondContact O-N 2.91Å; Y127-R129 VanDerWaalsContact O-N 3.17Å; Y127-A130 PolarHBondContact O-N 3.03Å; Y127-L131 HydrophobicContact CD1-CD1 4.27Å; Y127-L131 HydrophobicContact CE1-CD1 3.91Å; Y127-L131 HydrophobicContact CE1-CD2 3.95Å; Y127-L131 HydrophobicContact CE1-CG 4.27Å
128	G	96.2	Very high	95.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.4	-26.6	-177.1	0	0	0	0	0	115.4	L107 D124 Y126	L107-G128 WeakPolarHBondContact O-CA 3.45Å; D124-G128 PolarHBondContact O-N 2.95Å; Y126-G128 VanDerWaalsContact C-N 3.34Å; Y126-G128 PolarHBondContact O-N 3.1Å
129	R	94.7	Very high	95.7	Very high	51 Å²	51	44 Å²	44	19%	0.192	23%	0.225	C	C	.	.	H	α-helix	trans	-79	-24.9	175	-75.6	-166.1	-39.9	-81.7	10.3	113.4	K125 Y126 Y127 L131	K125-R129 VanDerWaalsContact C-NH1 3.35Å; K125-R129 VanDerWaalsContact O-CG 3.31Å; K125-R129 WeakPolarHBondContact O-CG 3.47Å; K125-R129 PolarHBondContact O-N 3.06Å; K125-R129 PolarHBondContact O-NH1 3.31Å; Y126-R129 PolarHBondContact O-N 2.85Å; Y127-R129 VanDerWaalsContact C-N 3.26Å; Y127-R129 PolarHBondContact O-N 2.91Å; Y127-R129 VanDerWaalsContact O-N 3.17Å; R129-L131 VanDerWaalsContact C-N 3.29Å
130	A	95.2	Very high	96	Very high	89 Å²	89	42.7 Å²	42.7	74%	0.736	22%	0.217	S	C	*	.	H	α-helix	trans	-81.7	-8.6	179.6	0	0	0	0	0	113.2	Y126 Y127	Y126-A130 PolarHBondContact O-N 2.8Å; Y127-A130 PolarHBondContact O-N 3.03Å
131	L	97	Very high	96.2	Very high	24 Å²	24	44.6 Å²	44.6	13%	0.126	23%	0.228	C	C	.	.			trans	-71.3	138.3	-178.3	-62.8	175.6	0	0	0	111.9	L107 Y127 R129 F136	L107-L131 HydrophobicContact CB-CD1 4.31Å; L107-L131 HydrophobicContact CD1-CD1 4.25Å; Y127-L131 HydrophobicContact CD1-CD1 4.27Å; Y127-L131 HydrophobicContact CE1-CD1 3.91Å; Y127-L131 HydrophobicContact CE1-CD2 3.95Å; Y127-L131 HydrophobicContact CE1-CG 4.27Å; R129-L131 VanDerWaalsContact C-N 3.29Å; L131-F136 HydrophobicContact CB-CB 4.48Å
132	S	97.5	Very high	96.4	Very high	73 Å²	73	47.1 Å²	47.1	51%	0.51	24%	0.239	S	C	.	.			trans	-73.9	172.5	159.4	67.6	0	0	0	0	110.3	R134 G135 F136	S132-R134 VanDerWaalsContact C-N 3.29Å; S132-R134 PolarHBondContact O-N 3.37Å; S132-G135 PolarHBondContact O-N 3.24Å; S132-G135 PolarHBondContact OG-N 3.33Å; S132-F136 WeakPolarHBondContact O-CB 3.43Å; S132-F136 PolarHBondContact O-N 2.73Å
133	V	97.8	Very high	96.6	Very high	43 Å²	43	46.8 Å²	46.8	26%	0.261	24%	0.237	S	C	.	.	H	α-helix	trans	-57.3	-45.4	174	176.3	0	0	0	0	110.9	T99 T102 I103 F136 E137	T99-V133 HydrophobicContact CG2-CG2 4.23Å; T102-V133 HydrophobicContact CG2-CG2 3.98Å; I103-V133 HydrophobicContact CD1-CG1 4.28Å; I103-V133 HydrophobicContact CG2-CG1 4.07Å; I103-V133 HydrophobicContact CG2-CG2 4.2Å; V133-F136 WeakPolarHBondContact O-CB 3.45Å; V133-F136 PolarHBondContact O-N 3.03Å; V133-E137 WeakPolarHBondContact O-CG 3.08Å; V133-E137 PolarHBondContact O-N 2.82Å
134	R	97.7	Very high	96.7	Very high	175 Å²	175	46.1 Å²	46.1	66%	0.66	23%	0.234	S	C	*	.	H	α-helix	trans	-60.7	-46.1	174.6	179.5	-178.7	166.3	171.4	2.2	112.2	S132 F136 E137 E138	S132-R134 VanDerWaalsContact C-N 3.29Å; S132-R134 PolarHBondContact O-N 3.37Å; R134-F136 PolarHBondContact O-N 3.11Å; R134-E137 WeakPolarHBondContact O-CB 3.3Å; R134-E137 PolarHBondContact O-N 2.96Å; R134-E137 VanDerWaalsContact O-N 3.17Å; R134-E138 HydrophobicContact CG-CG 4.5Å; R134-E138 IonicContact CZ-OE1 2.82Å; R134-E138 IonicContact NE-OE1 3.83Å; R134-E138 PolarHBondContact NE-OE1 3.3Å; R134-E138 IonicContact NH2-OE1 3.9Å; R134-E138 PolarHBondContact NH2-OE1 2.79Å; R134-E138 WeakPolarHBondContact O-CG 3.25Å; R134-E138 PolarHBondContact O-N 3.33Å
135	G	98.1	Very high	96.9	Very high	10 Å²	10	47.4 Å²	47.4	10%	0.103	24%	0.241	C	C	.	.	H	α-helix	trans	-63.2	-32.5	177.5	0	0	0	0	0	112.5	S132 S139	S132-G135 PolarHBondContact O-N 3.24Å; S132-G135 PolarHBondContact OG-N 3.33Å; G135-S139 WeakPolarHBondContact O-CB 3.3Å; G135-S139 PolarHBondContact O-N 2.75Å
136	F	98.4	Very high	97	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-65.4	-47.8	171.6	177.4	-96.6	0	0	0	111.4	L72 T99 I103 V105 L107 L131 S132 V133 R134 E138 S139 I140 L233 I236	L72-F136 HydrophobicContact CD2-CE2 3.76Å; L72-F136 HydrophobicContact CD2-CZ 3.88Å; T99-F136 HydrophobicContact CG2-CB 4Å; I103-F136 HydrophobicContact CD1-CD1 3.61Å; I103-F136 HydrophobicContact CD1-CE1 3.93Å; I103-F136 HydrophobicContact CD1-CG 4.32Å; V105-F136 HydrophobicContact CB-CZ 4.44Å; V105-F136 HydrophobicContact CG1-CE1 3.74Å; V105-F136 HydrophobicContact CG1-CZ 3.74Å; V105-F136 HydrophobicContact CG2-CE2 4.43Å; V105-F136 HydrophobicContact CG2-CZ 3.86Å; L107-F136 HydrophobicContact CB-CD2 4.28Å; L107-F136 HydrophobicContact CB-CE2 4.23Å; L131-F136 HydrophobicContact CB-CB 4.48Å; S132-F136 WeakPolarHBondContact O-CB 3.43Å; S132-F136 PolarHBondContact O-N 2.73Å; V133-F136 WeakPolarHBondContact O-CB 3.45Å; V133-F136 PolarHBondContact O-N 3.03Å; R134-F136 PolarHBondContact O-N 3.11Å; F136-E138 PolarHBondContact O-N 3.03Å; F136-S139 WeakPolarHBondContact O-CB 3.48Å; F136-S139 PolarHBondContact O-N 2.91Å; F136-S139 VanDerWaalsContact O-N 3.1Å; F136-S139 PolarHBondContact O-OG 3.44Å; F136-I140 HydrophobicContact CD1-CG1 4.36Å; F136-I140 HydrophobicContact CE1-CD1 4.23Å; F136-I140 HydrophobicContact CE1-CG1 3.95Å; F136-I140 HydrophobicContact CE2-CD1 4.26Å; F136-I140 HydrophobicContact CZ-CD1 3.86Å; F136-I140 HydrophobicContact CZ-CG1 4.1Å; F136-I140 WeakPolarHBondContact O-CG1 3.42Å; F136-I140 PolarHBondContact O-N 3.17Å; F136-L233 HydrophobicContact CE1-CD2 4.15Å; F136-L233 HydrophobicContact CZ-CD2 4.06Å; F136-I236 HydrophobicContact CD1-CD1 3.96Å; F136-I236 HydrophobicContact CE1-CD1 3.71Å
137	E	98.2	Very high	97	Very high	71 Å²	71	42.1 Å²	42.1	33%	0.332	23%	0.226	S	C	.	.	H	α-helix	trans	-58.1	-45.4	175.4	-69.3	171.8	178	0	0	112.2	V133 R134 S139 I140 V141 I236	V133-E137 WeakPolarHBondContact O-CG 3.08Å; V133-E137 PolarHBondContact O-N 2.82Å; R134-E137 WeakPolarHBondContact O-CB 3.3Å; R134-E137 PolarHBondContact O-N 2.96Å; R134-E137 VanDerWaalsContact O-N 3.17Å; E137-S139 VanDerWaalsContact C-N 3.29Å; E137-S139 PolarHBondContact O-N 3.42Å; E137-I140 WeakPolarHBondContact O-CB 3.42Å; E137-I140 PolarHBondContact O-N 2.98Å; E137-I140 VanDerWaalsContact O-N 3.12Å; E137-V141 PolarHBondContact O-N 3.21Å; E137-I236 HydrophobicContact CG-CD1 4.03Å; E137-I236 HydrophobicContact CG-CG1 4.01Å; E137-I236 HydrophobicContact CG-CG2 4.39Å
138	E	97.7	Very high	97	Very high	101 Å²	101	44.1 Å²	44.1	47%	0.472	24%	0.239	S	C	.	.	H	α-helix	trans	-59.2	-39.6	174.3	-71.2	168.5	175.7	0	0	111.4	R134 F136 I140 V141 Q142	R134-E138 HydrophobicContact CG-CG 4.5Å; R134-E138 IonicContact CZ-OE1 2.82Å; R134-E138 IonicContact NE-OE1 3.83Å; R134-E138 PolarHBondContact NE-OE1 3.3Å; R134-E138 IonicContact NH2-OE1 3.9Å; R134-E138 PolarHBondContact NH2-OE1 2.79Å; R134-E138 WeakPolarHBondContact O-CG 3.25Å; R134-E138 PolarHBondContact O-N 3.33Å; F136-E138 PolarHBondContact O-N 3.03Å; E138-I140 PolarHBondContact O-N 3.06Å; E138-V141 PolarHBondContact O-N 3.46Å; E138-Q142 WeakPolarHBondContact O-CB 3.47Å; E138-Q142 PolarHBondContact O-N 2.97Å
139	S	98.1	Very high	96.9	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.014	26%	0.259	C	S	.	.	H	α-helix	trans	-67.3	-32.4	175.8	79.1	0	0	0	0	113.3	G135 F136 E137 Q142 F143	G135-S139 WeakPolarHBondContact O-CB 3.3Å; G135-S139 PolarHBondContact O-N 2.75Å; F136-S139 WeakPolarHBondContact O-CB 3.48Å; F136-S139 PolarHBondContact O-N 2.91Å; F136-S139 VanDerWaalsContact O-N 3.1Å; F136-S139 PolarHBondContact O-OG 3.44Å; E137-S139 VanDerWaalsContact C-N 3.29Å; E137-S139 PolarHBondContact O-N 3.42Å; S139-Q142 PolarHBondContact O-N 3.42Å; S139-F143 PolarHBondContact O-N 3.27Å
140	I	98.5	Very high	96.9	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-67.3	-43.6	173	-62	-58.6	0	0	0	110.1	L70 L72 F136 E137 E138 Q142 F143 F144 I236 M237 I240	L70-I140 HydrophobicContact CD2-CD1 3.73Å; L72-I140 HydrophobicContact CD2-CD1 4.31Å; F136-I140 HydrophobicContact CD1-CG1 4.36Å; F136-I140 HydrophobicContact CE1-CD1 4.23Å; F136-I140 HydrophobicContact CE1-CG1 3.95Å; F136-I140 HydrophobicContact CE2-CD1 4.26Å; F136-I140 HydrophobicContact CZ-CD1 3.86Å; F136-I140 HydrophobicContact CZ-CG1 4.1Å; F136-I140 WeakPolarHBondContact O-CG1 3.42Å; F136-I140 PolarHBondContact O-N 3.17Å; E137-I140 WeakPolarHBondContact O-CB 3.42Å; E137-I140 PolarHBondContact O-N 2.98Å; E137-I140 VanDerWaalsContact O-N 3.12Å; E138-I140 PolarHBondContact O-N 3.06Å; I140-Q142 VanDerWaalsContact C-N 3.3Å; I140-Q142 PolarHBondContact O-N 3.2Å; I140-F143 WeakPolarHBondContact O-CB 3.38Å; I140-F143 PolarHBondContact O-N 3.35Å; I140-F144 HydrophobicContact CG2-CD2 4.18Å; I140-F144 HydrophobicContact CG2-CE2 4Å; I140-F144 VanDerWaalsContact O-CD2 3.26Å; I140-F144 WeakPolarHBondContact O-CD2 3.28Å; I140-F144 PolarHBondContact O-N 3.4Å; I140-I236 HydrophobicContact CB-CG2 4.38Å; I140-I236 HydrophobicContact CG1-CG2 4.47Å; I140-I236 HydrophobicContact CG2-CG2 4.19Å; I140-M237 HydrophobicContact CG2-CE 4.02Å; I140-M237 HydrophobicContact CG2-SD 4.4Å; I140-I240 HydrophobicContact CB-CD1 4.46Å; I140-I240 HydrophobicContact CG2-CD1 3.85Å
141	V	97.9	Very high	97	Very high	39 Å²	39	43 Å²	43	24%	0.236	23%	0.229	C	C	.	.	H	α-helix	trans	-60.8	-43.5	174.3	176	0	0	0	0	110.7	E137 E138 F143 F144 N145 I150 I240	E137-V141 PolarHBondContact O-N 3.21Å; E138-V141 PolarHBondContact O-N 3.46Å; V141-F143 VanDerWaalsContact C-N 3.33Å; V141-F143 PolarHBondContact O-N 3.4Å; V141-F144 PolarHBondContact O-N 2.91Å; V141-N145 PolarHBondContact O-N 3.29Å; V141-I150 HydrophobicContact CG1-CD1 3.7Å; V141-I150 HydrophobicContact CG1-CG1 4.23Å; V141-I240 HydrophobicContact CG2-CD1 3.68Å; V141-I240 HydrophobicContact CG2-CG1 3.77Å; V141-I240 HydrophobicContact CG2-CG2 4.27Å
142	Q	97.4	Very high	96.9	Very high	64 Å²	64	44.2 Å²	44.2	30%	0.299	24%	0.237	S	C	.	.	H	α-helix	trans	-60.8	-41.8	176.7	-173.8	-179.4	11.8	0	0	111.9	Y123 E138 S139 I140 F144 N145	Y123-Q142 PolarHBondContact OH-NE2 3.07Å; E138-Q142 WeakPolarHBondContact O-CB 3.47Å; E138-Q142 PolarHBondContact O-N 2.97Å; S139-Q142 PolarHBondContact O-N 3.42Å; I140-Q142 VanDerWaalsContact C-N 3.3Å; I140-Q142 PolarHBondContact O-N 3.2Å; Q142-F144 PolarHBondContact O-N 3.1Å; Q142-N145 PolarHBondContact O-N 2.97Å
143	F	98.3	Very high	96.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-57	-38.3	177.8	178.9	-115.6	0	0	0	112.4	L70 M110 V112 S139 I140 V141 I184 Y186	L70-F143 HydrophobicContact CB-CD1 4.04Å; L70-F143 HydrophobicContact CB-CD2 3.77Å; L70-F143 HydrophobicContact CB-CE1 3.78Å; L70-F143 HydrophobicContact CB-CE2 3.51Å; L70-F143 HydrophobicContact CB-CG 4.02Å; L70-F143 HydrophobicContact CB-CZ 3.5Å; L70-F143 HydrophobicContact CD2-CB 4.3Å; L70-F143 HydrophobicContact CD2-CD1 3.68Å; L70-F143 HydrophobicContact CD2-CD2 4.44Å; L70-F143 HydrophobicContact CD2-CE1 4.08Å; L70-F143 HydrophobicContact CD2-CG 3.87Å; L70-F143 HydrophobicContact CG-CD1 4.49Å; L70-F143 HydrophobicContact CG-CG 4.46Å; M110-F143 HydrophobicContact CG-CD2 3.84Å; M110-F143 HydrophobicContact SD-CB 3.66Å; M110-F143 HydrophobicContact SD-CD2 4.01Å; M110-F143 HydrophobicContact SD-CG 4.23Å; V112-F143 WeakPolarHBondContact CG2-O 3.35Å; S139-F143 PolarHBondContact O-N 3.27Å; I140-F143 WeakPolarHBondContact O-CB 3.38Å; I140-F143 PolarHBondContact O-N 3.35Å; V141-F143 VanDerWaalsContact C-N 3.33Å; V141-F143 PolarHBondContact O-N 3.4Å; F143-I184 HydrophobicContact CE1-CB 4.17Å; F143-I184 HydrophobicContact CE1-CG2 3.76Å; F143-I184 HydrophobicContact CZ-CB 4.48Å; F143-I184 HydrophobicContact CZ-CG2 4.28Å; F143-Y186 HydrophobicContact CD1-CE1 4.15Å; F143-Y186 HydrophobicContact CD2-CE1 4.31Å; F143-Y186 AromaticContact CE1-CD1 3.71Å; F143-Y186 HydrophobicContact CE1-CD1 3.71Å; F143-Y186 AromaticContact CE1-CE1 3.69Å; F143-Y186 HydrophobicContact CE1-CE1 3.69Å; F143-Y186 HydrophobicContact CE2-CD1 4.29Å; F143-Y186 AromaticContact CE2-CE1 3.86Å; F143-Y186 HydrophobicContact CE2-CE1 3.86Å; F143-Y186 HydrophobicContact CG-CE1 4.45Å; F143-Y186 AromaticContact CZ-CD1 3.56Å; F143-Y186 HydrophobicContact CZ-CD1 3.56Å; F143-Y186 AromaticContact CZ-CE1 3.54Å; F143-Y186 HydrophobicContact CZ-CE1 3.54Å; F143-Y186 VanDerWaalsContact O-CE1 3.31Å; F143-Y186 WeakPolarHBondContact O-CE1 3.44Å; F143-Y186 PolarHBondContact O-OH 2.64Å
144	F	98	Very high	96.8	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	3.3	178.5	-67.6	-72.4	0	0	0	113.9	I140 V141 Q142 I150 R151 L154 I155 V158 Y186 I198 M237	I140-F144 HydrophobicContact CG2-CD2 4.18Å; I140-F144 HydrophobicContact CG2-CE2 4Å; I140-F144 VanDerWaalsContact O-CD2 3.26Å; I140-F144 WeakPolarHBondContact O-CD2 3.28Å; I140-F144 PolarHBondContact O-N 3.4Å; V141-F144 PolarHBondContact O-N 2.91Å; Q142-F144 PolarHBondContact O-N 3.1Å; F144-I150 HydrophobicContact CB-CG2 4.46Å; F144-I150 WeakPolarHBondContact O-CA 3.32Å; F144-R151 WeakPolarHBondContact O-CB 3.42Å; F144-R151 PolarHBondContact O-N 3.41Å; F144-L154 HydrophobicContact CD1-CB 3.9Å; F144-L154 HydrophobicContact CD1-CD1 4.45Å; F144-L154 HydrophobicContact CE1-CB 3.96Å; F144-I155 HydrophobicContact CB-CD1 3.98Å; F144-I155 HydrophobicContact CB-CG1 3.99Å; F144-I155 HydrophobicContact CD1-CG1 3.95Å; F144-I155 HydrophobicContact CD2-CD1 3.97Å; F144-I155 HydrophobicContact CD2-CG1 3.54Å; F144-I155 HydrophobicContact CE1-CG1 4.31Å; F144-I155 HydrophobicContact CE2-CG1 3.95Å; F144-I155 HydrophobicContact CG-CD1 4.02Å; F144-I155 HydrophobicContact CG-CG1 3.54Å; F144-I155 HydrophobicContact CZ-CG1 4.32Å; F144-V158 HydrophobicContact CE1-CG2 4.16Å; F144-V158 HydrophobicContact CZ-CB 4.48Å; F144-V158 HydrophobicContact CZ-CG2 3.87Å; F144-Y186 HydrophobicContact CD1-CD1 4.49Å; F144-Y186 HydrophobicContact CD1-CE1 4.31Å; F144-Y186 HydrophobicContact CE1-CD1 4.46Å; F144-I198 HydrophobicContact CE1-CD1 4.38Å; F144-M237 HydrophobicContact CE2-CE 4.06Å; F144-M237 HydrophobicContact CE2-SD 4.15Å; F144-M237 HydrophobicContact CZ-CE 4.47Å
145	N	96.6	Very high	96.8	Very high	65 Å²	65	33 Å²	33	35%	0.348	18%	0.184	S	C	.	.	B	Isolated β-bridge	trans	-93.1	110.5	175.3	-172.8	-11.9	0	0	0	110	V141 Q142 G147 I150	V141-N145 PolarHBondContact O-N 3.29Å; Q142-N145 PolarHBondContact O-N 2.97Å; N145-G147 VanDerWaalsContact C-N 3.27Å; N145-G147 PolarHBondContact O-N 3.48Å; N145-G147 PolarHBondContact OD1-N 3.29Å; N145-I150 HydrophobicContact CB-CG1 4.11Å
146	N	94.2	Very high	96.8	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.021	20%	0.202	C	C	.	.			trans	-88.4	16	-179.8	71.9	-10	0	0	0	113.5	Q115 I148 A149	Q115-N146 HydrophobicContact CB-CB 4.42Å; Q115-N146 WeakPolarHBondContact CB-O 3.37Å; Q115-N146 PolarHBondContact N-O 3.44Å; Q115-N146 PolarHBondContact OE1-ND2 3.48Å; N146-I148 PolarHBondContact O-N 3.45Å; N146-I148 WeakPolarHBondContact OD1-CB 3.09Å; N146-I148 PolarHBondContact OD1-N 2.82Å; N146-A149 PolarHBondContact N-O 2.88Å; N146-A149 PolarHBondContact OD1-N 2.85Å; N146-A149 PolarHBondContact OD1-O 2.89Å
147	G	94.3	Very high	96.8	Very high	23 Å²	23	40.7 Å²	40.7	24%	0.237	22%	0.217	C	C	.	.	S	Bend	trans	81.1	-8.6	-176.9	0	0	0	0	0	114.8	N145	N145-G147 VanDerWaalsContact C-N 3.27Å; N145-G147 PolarHBondContact O-N 3.48Å; N145-G147 PolarHBondContact OD1-N 3.29Å
148	I	94.5	Very high	96.8	Very high	93 Å²	93	37.3 Å²	37.3	48%	0.477	20%	0.201	S	C	.	.	S	Bend	trans	-111	-47.9	175.1	-57.5	174.9	0	0	0	110	Q115 K116 N146	Q115-I148 HydrophobicContact CB-CD1 4.02Å; Q115-I148 HydrophobicContact CB-CG1 4.46Å; Q115-I148 HydrophobicContact CG-CD1 3.92Å; K116-I148 HydrophobicContact CB-CG1 4.37Å; N146-I148 PolarHBondContact O-N 3.45Å; N146-I148 WeakPolarHBondContact OD1-CB 3.09Å; N146-I148 PolarHBondContact OD1-N 2.82Å
149	A	94.4	Very high	96.8	Very high	50 Å²	50	34.6 Å²	34.6	41%	0.413	19%	0.188	S	C	.	.			trans	-152.9	163.3	179.1	0	0	0	0	0	111.1	N146	N146-A149 PolarHBondContact N-O 2.88Å; N146-A149 PolarHBondContact OD1-N 2.85Å; N146-A149 PolarHBondContact OD1-O 2.89Å
150	I	96	Very high	96.8	Very high	38 Å²	38	38.6 Å²	38.6	20%	0.195	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-80	121	165.6	-65.5	160.7	0	0	0	107.7	V141 F144 N145 T152 I155	V141-I150 HydrophobicContact CG1-CD1 3.7Å; V141-I150 HydrophobicContact CG1-CG1 4.23Å; F144-I150 HydrophobicContact CB-CG2 4.46Å; F144-I150 WeakPolarHBondContact O-CA 3.32Å; N145-I150 HydrophobicContact CB-CG1 4.11Å; I150-T152 VanDerWaalsContact C-N 3.28Å; I150-T152 HydrophobicContact CG2-CG2 4.38Å; I150-T152 PolarHBondContact O-N 2.74Å; I150-I155 HydrophobicContact CG2-CD1 3.97Å
151	R	96	Very high	96.8	Very high	27 Å²	27	45.3 Å²	45.3	10%	0.102	23%	0.231	C	C	.	.			trans	-75.9	71.7	-176.1	-68	-66.6	-58.9	-83.3	2.6	112.3	F144 D153 L154 I155	F144-R151 WeakPolarHBondContact O-CB 3.42Å; F144-R151 PolarHBondContact O-N 3.41Å; R151-D153 VanDerWaalsContact C-OD1 3.23Å; R151-D153 VanDerWaalsContact CA-OD1 3.32Å; R151-D153 WeakPolarHBondContact CA-OD1 3.25Å; R151-D153 WeakPolarHBondContact CB-OD1 3.46Å; R151-D153 IonicContact CZ-OD1 3.18Å; R151-D153 IonicContact CZ-OD2 3.97Å; R151-D153 IonicContact NE-OD1 3.96Å; R151-D153 PolarHBondContact NE-OD1 2.74Å; R151-D153 IonicContact NE-OD2 3.33Å; R151-D153 PolarHBondContact NE-OD2 2.77Å; R151-D153 IonicContact NH2-OD1 2.84Å; R151-D153 IonicContact NH2-OD2 3.52Å; R151-D153 PolarHBondContact NH2-OD2 2.93Å; R151-D153 PolarHBondContact O-N 2.85Å; R151-L154 HydrophobicContact CB-CB 4.09Å; R151-L154 HydrophobicContact CB-CD1 3.62Å; R151-L154 HydrophobicContact CB-CG 3.85Å; R151-L154 HydrophobicContact CG-CD1 4Å; R151-L154 WeakPolarHBondContact O-CB 3.44Å; R151-L154 PolarHBondContact O-N 2.93Å; R151-I155 PolarHBondContact O-N 2.96Å; R151-I155 VanDerWaalsContact O-N 3.15Å
152	T	96	Very high	96.9	Very high	50 Å²	50	43.4 Å²	43.4	31%	0.307	22%	0.22	S	C	.	.	H	α-helix	trans	-62	-26.4	179.1	53	0	0	0	0	113.1	I150 L154 I155 K156 L241 K244	I150-T152 VanDerWaalsContact C-N 3.28Å; I150-T152 HydrophobicContact CG2-CG2 4.38Å; I150-T152 PolarHBondContact O-N 2.74Å; T152-L154 VanDerWaalsContact C-N 3.35Å; T152-I155 PolarHBondContact O-N 2.92Å; T152-K156 PolarHBondContact O-N 2.89Å; T152-L241 HydrophobicContact CG2-CD2 4.46Å; T152-K244 HydrophobicContact CG2-CB 4.09Å; T152-K244 HydrophobicContact CG2-CG 4.03Å
153	D	95.5	Very high	96.9	Very high	56 Å²	56	43 Å²	43	30%	0.299	22%	0.218	S	C	.	.	H	α-helix	trans	-58.4	-44.8	170.1	61.7	-49	0	0	0	111.7	R151 L157 P196	R151-D153 VanDerWaalsContact C-OD1 3.23Å; R151-D153 VanDerWaalsContact CA-OD1 3.32Å; R151-D153 WeakPolarHBondContact CA-OD1 3.25Å; R151-D153 WeakPolarHBondContact CB-OD1 3.46Å; R151-D153 IonicContact CZ-OD1 3.18Å; R151-D153 IonicContact CZ-OD2 3.97Å; R151-D153 IonicContact NE-OD1 3.96Å; R151-D153 PolarHBondContact NE-OD1 2.74Å; R151-D153 IonicContact NE-OD2 3.33Å; R151-D153 PolarHBondContact NE-OD2 2.77Å; R151-D153 IonicContact NH2-OD1 2.84Å; R151-D153 IonicContact NH2-OD2 3.52Å; R151-D153 PolarHBondContact NH2-OD2 2.93Å; R151-D153 PolarHBondContact O-N 2.85Å; D153-L157 WeakPolarHBondContact O-CG 3.32Å; D153-L157 PolarHBondContact O-N 2.83Å; D153-P196 VanDerWaalsContact OD2-CG 3.23Å; D153-P196 WeakPolarHBondContact OD2-CG 3.41Å
154	L	97.5	Very high	96.9	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-69.8	-41.5	176.5	-62.5	-179.2	0	0	0	111.9	F144 R151 T152 K156 L157 V158 Y186 P196 I198	F144-L154 HydrophobicContact CD1-CB 3.9Å; F144-L154 HydrophobicContact CD1-CD1 4.45Å; F144-L154 HydrophobicContact CE1-CB 3.96Å; R151-L154 HydrophobicContact CB-CB 4.09Å; R151-L154 HydrophobicContact CB-CD1 3.62Å; R151-L154 HydrophobicContact CB-CG 3.85Å; R151-L154 HydrophobicContact CG-CD1 4Å; R151-L154 WeakPolarHBondContact O-CB 3.44Å; R151-L154 PolarHBondContact O-N 2.93Å; T152-L154 VanDerWaalsContact C-N 3.35Å; L154-K156 VanDerWaalsContact C-N 3.26Å; L154-K156 PolarHBondContact O-N 3.2Å; L154-L157 PolarHBondContact O-N 2.89Å; L154-L157 VanDerWaalsContact O-N 3.13Å; L154-V158 WeakPolarHBondContact O-CG2 3.28Å; L154-V158 PolarHBondContact O-N 3.19Å; L154-Y186 HydrophobicContact CD1-CD1 4.13Å; L154-Y186 HydrophobicContact CD1-CD2 3.26Å; L154-Y186 HydrophobicContact CD1-CE2 3.78Å; L154-Y186 HydrophobicContact CD1-CG 3.49Å; L154-Y186 VanDerWaalsContact CD1-CG 3.49Å; L154-P196 HydrophobicContact CD2-CB 3.54Å; L154-I198 HydrophobicContact CB-CD1 3.96Å; L154-I198 HydrophobicContact CD2-CB 4.04Å; L154-I198 HydrophobicContact CD2-CD1 4.07Å; L154-I198 HydrophobicContact CD2-CG2 4.28Å
155	I	97.9	Very high	96.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-58.2	-41.2	177.5	-65	176	0	0	0	110.8	F144 I150 R151 T152 V158 K159 M237 I240 L241	F144-I155 HydrophobicContact CB-CD1 3.98Å; F144-I155 HydrophobicContact CB-CG1 3.99Å; F144-I155 HydrophobicContact CD1-CG1 3.95Å; F144-I155 HydrophobicContact CD2-CD1 3.97Å; F144-I155 HydrophobicContact CD2-CG1 3.54Å; F144-I155 HydrophobicContact CE1-CG1 4.31Å; F144-I155 HydrophobicContact CE2-CG1 3.95Å; F144-I155 HydrophobicContact CG-CD1 4.02Å; F144-I155 HydrophobicContact CG-CG1 3.54Å; F144-I155 HydrophobicContact CZ-CG1 4.32Å; I150-I155 HydrophobicContact CG2-CD1 3.97Å; R151-I155 PolarHBondContact O-N 2.96Å; R151-I155 VanDerWaalsContact O-N 3.15Å; T152-I155 PolarHBondContact O-N 2.92Å; I155-V158 PolarHBondContact O-N 3.32Å; I155-K159 WeakPolarHBondContact O-CB 3.36Å; I155-K159 PolarHBondContact O-N 3.07Å; I155-M237 HydrophobicContact CG2-CB 4.04Å; I155-M237 HydrophobicContact CG2-CG 4.41Å; I155-M237 HydrophobicContact CG2-SD 3.74Å; I155-I240 HydrophobicContact CD1-CB 4.47Å; I155-I240 HydrophobicContact CD1-CG2 3.6Å; I155-L241 HydrophobicContact CB-CD2 4.15Å; I155-L241 HydrophobicContact CG2-CD1 4.09Å; I155-L241 HydrophobicContact CG2-CD2 3.87Å; I155-L241 HydrophobicContact CG2-CG 3.7Å
156	K	97.6	Very high	97	Very high	113 Å²	113	46.6 Å²	46.6	49%	0.491	23%	0.234	S	C	.	.	H	α-helix	trans	-60.5	-47.1	175.5	-174.7	-178.2	174.6	-174.6	0	111.6	T152 L154 K159 E160	T152-K156 PolarHBondContact O-N 2.89Å; L154-K156 VanDerWaalsContact C-N 3.26Å; L154-K156 PolarHBondContact O-N 3.2Å; K156-K159 WeakPolarHBondContact O-CB 3.3Å; K156-K159 PolarHBondContact O-N 3.28Å; K156-E160 VanDerWaalsContact CE-OE1 3.29Å; K156-E160 WeakPolarHBondContact CE-OE1 3.36Å; K156-E160 WeakPolarHBondContact O-CG 3.45Å; K156-E160 PolarHBondContact O-N 3.41Å; K156-E160 VanDerWaalsContact O-N 3.1Å
157	L	97.8	Very high	97.2	Very high	59 Å²	59	53.2 Å²	53.2	31%	0.309	26%	0.259	S	S	.	.	H	α-helix	trans	-63.6	-41.9	178.1	-66.2	173.1	0	0	0	112.1	D153 L154 K159 E160 R161 P196 I198	D153-L157 WeakPolarHBondContact O-CG 3.32Å; D153-L157 PolarHBondContact O-N 2.83Å; L154-L157 PolarHBondContact O-N 2.89Å; L154-L157 VanDerWaalsContact O-N 3.13Å; L157-K159 VanDerWaalsContact C-N 3.34Å; L157-K159 PolarHBondContact O-N 2.81Å; L157-E160 PolarHBondContact O-N 3.16Å; L157-R161 WeakPolarHBondContact O-CG 3.34Å; L157-R161 PolarHBondContact O-N 3.47Å; L157-P196 HydrophobicContact CD1-CB 4.18Å; L157-I198 HydrophobicContact CB-CG2 3.99Å; L157-I198 HydrophobicContact CD1-CG2 3.65Å; L157-I198 HydrophobicContact CG-CG2 4.48Å
158	V	98.5	Very high	97.4	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62	-43.1	175.7	174.6	0	0	0	0	111.2	F144 L154 I155 E160 R161 L162 I184 I198 V200 M237	F144-V158 HydrophobicContact CE1-CG2 4.16Å; F144-V158 HydrophobicContact CZ-CB 4.48Å; F144-V158 HydrophobicContact CZ-CG2 3.87Å; L154-V158 WeakPolarHBondContact O-CG2 3.28Å; L154-V158 PolarHBondContact O-N 3.19Å; I155-V158 PolarHBondContact O-N 3.32Å; V158-E160 VanDerWaalsContact C-N 3.34Å; V158-E160 PolarHBondContact O-N 3.46Å; V158-R161 PolarHBondContact O-N 3Å; V158-L162 HydrophobicContact CG1-CD1 3.86Å; V158-L162 HydrophobicContact CG1-CG 4.16Å; V158-L162 VanDerWaalsContact O-CG 3.28Å; V158-L162 WeakPolarHBondContact O-CG 3.3Å; V158-L162 PolarHBondContact O-N 3.22Å; V158-I184 HydrophobicContact CG1-CD1 3.92Å; V158-I184 HydrophobicContact CG2-CG2 3.97Å; V158-I198 HydrophobicContact CG2-CD1 3.3Å; V158-I198 HydrophobicContact CG2-CG1 4.29Å; V158-V200 HydrophobicContact CG1-CG2 4.36Å; V158-V200 HydrophobicContact CG2-CG2 4.02Å; V158-M237 HydrophobicContact CG1-CE 3.73Å; V158-M237 HydrophobicContact CG1-SD 4.36Å
159	K	98.4	Very high	97.5	Very high	44 Å²	44	51.5 Å²	51.5	19%	0.191	25%	0.248	C	C	.	.	H	α-helix	trans	-57.8	-46.4	176.5	-174.3	-169	70.7	-176	0	111.5	I155 K156 L157 R161 L162 E163 M237 R238 L241	I155-K159 WeakPolarHBondContact O-CB 3.36Å; I155-K159 PolarHBondContact O-N 3.07Å; K156-K159 WeakPolarHBondContact O-CB 3.3Å; K156-K159 PolarHBondContact O-N 3.28Å; L157-K159 VanDerWaalsContact C-N 3.34Å; L157-K159 PolarHBondContact O-N 2.81Å; K159-R161 VanDerWaalsContact C-N 3.33Å; K159-R161 PolarHBondContact O-N 2.8Å; K159-L162 PolarHBondContact O-N 2.95Å; K159-E163 WeakPolarHBondContact O-CG 3.29Å; K159-E163 PolarHBondContact O-N 2.76Å; K159-M237 HydrophobicContact CB-CB 3.97Å; K159-M237 HydrophobicContact CB-CG 4.4Å; K159-M237 HydrophobicContact CG-CB 4.23Å; K159-R238 HydrophobicContact CD-CG 3.89Å; K159-L241 HydrophobicContact CD-CD1 4.25Å
160	E	98.2	Very high	97.7	Very high	86 Å²	86	51.3 Å²	51.3	40%	0.402	24%	0.244	S	C	.	.	H	α-helix	trans	-60.4	-42.1	177.8	-70.2	167.3	-170.6	0	0	111.6	K156 L157 V158 E163 E164	K156-E160 VanDerWaalsContact CE-OE1 3.29Å; K156-E160 WeakPolarHBondContact CE-OE1 3.36Å; K156-E160 WeakPolarHBondContact O-CG 3.45Å; K156-E160 PolarHBondContact O-N 3.41Å; K156-E160 VanDerWaalsContact O-N 3.1Å; L157-E160 PolarHBondContact O-N 3.16Å; V158-E160 VanDerWaalsContact C-N 3.34Å; V158-E160 PolarHBondContact O-N 3.46Å; E160-E163 PolarHBondContact O-N 2.78Å; E160-E164 PolarHBondContact O-N 3.35Å
161	R	98.3	Very high	97.7	Very high	140 Å²	140	55.8 Å²	55.8	53%	0.528	27%	0.268	S	S	.	.	H	α-helix	trans	-66.2	-36.8	175	-66.4	-60.9	-174.5	171.6	4.3	113.3	L157 V158 K159 E164 L165 V200	L157-R161 WeakPolarHBondContact O-CG 3.34Å; L157-R161 PolarHBondContact O-N 3.47Å; V158-R161 PolarHBondContact O-N 3Å; K159-R161 VanDerWaalsContact C-N 3.33Å; K159-R161 PolarHBondContact O-N 2.8Å; R161-E164 IonicContact NH1-OE2 2.82Å; R161-E164 PolarHBondContact NH1-OE2 2.8Å; R161-E164 VanDerWaalsContact NH1-OE2 3.12Å; R161-E164 PolarHBondContact O-N 2.62Å; R161-L165 WeakPolarHBondContact O-CB 3.34Å; R161-L165 PolarHBondContact O-N 3.39Å; R161-V200 HydrophobicContact CB-CB 4.13Å; R161-V200 HydrophobicContact CB-CG1 4.45Å; R161-V200 HydrophobicContact CB-CG2 4.18Å; R161-V200 HydrophobicContact CG-CB 4.46Å; R161-V200 HydrophobicContact CG-CG2 4.38Å
162	L	98.7	Very high	97.7	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-67.2	-38.3	174.8	-71.5	169	0	0	0	111.6	V158 K159 L165 N166 L182 V230 L233 I234 M237	V158-L162 HydrophobicContact CG1-CD1 3.86Å; V158-L162 HydrophobicContact CG1-CG 4.16Å; V158-L162 VanDerWaalsContact O-CG 3.28Å; V158-L162 WeakPolarHBondContact O-CG 3.3Å; V158-L162 PolarHBondContact O-N 3.22Å; K159-L162 PolarHBondContact O-N 2.95Å; L162-L165 PolarHBondContact O-N 3.17Å; L162-N166 WeakPolarHBondContact O-CB 3.34Å; L162-N166 PolarHBondContact O-N 3.27Å; L162-L182 HydrophobicContact CD2-CD2 3.48Å; L162-L182 VanDerWaalsContact CD2-CD2 3.48Å; L162-V230 HydrophobicContact CB-CG1 4.31Å; L162-V230 HydrophobicContact CD2-CG1 4.31Å; L162-V230 WeakPolarHBondContact O-CG1 3.48Å; L162-L233 HydrophobicContact CD1-CB 3.65Å; L162-L233 HydrophobicContact CD2-CB 4.31Å; L162-L233 HydrophobicContact CD2-CD1 4.08Å; L162-I234 HydrophobicContact CB-CD1 4.11Å; L162-I234 HydrophobicContact CB-CG1 3.58Å; L162-I234 HydrophobicContact CD1-CG1 4.26Å; L162-M237 HydrophobicContact CD1-CE 4.45Å; L162-M237 HydrophobicContact CD1-CG 4.14Å
163	E	98.7	Very high	97.6	Very high	54 Å²	54	56.4 Å²	56.4	25%	0.252	28%	0.277	S	S	.	.	H	α-helix	trans	-66.5	-37.5	175.1	-72.7	172.8	168.2	0	0	111.6	K159 E160 R167 I234 R238	K159-E163 WeakPolarHBondContact O-CG 3.29Å; K159-E163 PolarHBondContact O-N 2.76Å; E160-E163 PolarHBondContact O-N 2.78Å; E163-R167 PolarHBondContact O-N 3.08Å; E163-R167 PolarHBondContact O-NH1 2.85Å; E163-I234 HydrophobicContact CG-CD1 3.94Å; E163-I234 HydrophobicContact CG-CG1 4.36Å; E163-I234 HydrophobicContact CG-CG2 4.49Å; E163-R238 IonicContact OE1-CZ 3.41Å; E163-R238 IonicContact OE1-NE 3.26Å; E163-R238 IonicContact OE1-NH2 2.71Å; E163-R238 PolarHBondContact OE1-NH2 2.87Å
164	E	98.4	Very high	97.5	Very high	86 Å²	86	53.8 Å²	53.8	40%	0.402	26%	0.263	S	S	.	.	H	α-helix	trans	-62.7	-50	169.8	-176.2	179.6	-163.8	0	0	111.8	E160 R161 N166 R167 V168	E160-E164 PolarHBondContact O-N 3.35Å; R161-E164 IonicContact NH1-OE2 2.82Å; R161-E164 PolarHBondContact NH1-OE2 2.8Å; R161-E164 VanDerWaalsContact NH1-OE2 3.12Å; R161-E164 PolarHBondContact O-N 2.62Å; E164-N166 VanDerWaalsContact C-N 3.27Å; E164-N166 PolarHBondContact O-N 2.62Å; E164-R167 PolarHBondContact O-N 3.25Å; E164-R167 VanDerWaalsContact O-N 3.16Å; E164-V168 WeakPolarHBondContact O-CG2 3.42Å; E164-V168 PolarHBondContact O-N 2.81Å; E164-V168 VanDerWaalsContact O-N 3.1Å
165	L	98.3	Very high	97.4	Very high	23 Å²	23	58.5 Å²	58.5	12%	0.12	28%	0.282	C	S	.	.	H	α-helix	trans	-59.4	-39.2	178.6	-179.9	59.9	0	0	0	112.3	R161 L162 R167 V168 I169 L182 M202 Y226 V230	R161-L165 WeakPolarHBondContact O-CB 3.34Å; R161-L165 PolarHBondContact O-N 3.39Å; L162-L165 PolarHBondContact O-N 3.17Å; L165-R167 VanDerWaalsContact C-N 3.34Å; L165-R167 PolarHBondContact O-N 3.14Å; L165-V168 PolarHBondContact O-N 3.38Å; L165-I169 HydrophobicContact CD1-CD1 3.8Å; L165-I169 HydrophobicContact CD1-CG1 4Å; L165-I169 HydrophobicContact CG-CD1 3.9Å; L165-I169 HydrophobicContact CG-CG1 4.41Å; L165-I169 WeakPolarHBondContact O-CG1 3.07Å; L165-I169 PolarHBondContact O-N 2.76Å; L165-L182 HydrophobicContact CD2-CD1 3.65Å; L165-M202 HydrophobicContact CD1-CG 4.05Å; L165-M202 HydrophobicContact CD1-SD 3.56Å; L165-M202 VanDerWaalsContact CD1-SD 3.56Å; L165-M202 HydrophobicContact CD2-CG 4.33Å; L165-Y226 HydrophobicContact CD2-CE1 4.1Å; L165-V230 HydrophobicContact CD2-CG2 4.08Å; L165-V230 HydrophobicContact CG-CG2 4.43Å
166	N	98.5	Very high	97.3	Very high	32 Å²	32	59.9 Å²	59.9	17%	0.171	29%	0.287	C	S	.	.	H	α-helix	trans	-58.5	-45.6	176.9	-169.8	-76	0	0	0	111.8	L162 E164 S170 V230 N231 I234	L162-N166 WeakPolarHBondContact O-CB 3.34Å; L162-N166 PolarHBondContact O-N 3.27Å; E164-N166 VanDerWaalsContact C-N 3.27Å; E164-N166 PolarHBondContact O-N 2.62Å; N166-S170 WeakPolarHBondContact O-CB 3.36Å; N166-S170 PolarHBondContact O-N 3.48Å; N166-S170 PolarHBondContact O-OG 3.04Å; N166-V230 HydrophobicContact CB-CG1 3.89Å; N166-N231 PolarHBondContact ND2-OD1 3.24Å; N166-I234 HydrophobicContact CB-CD1 4.45Å
167	R	98.4	Very high	97.3	Very high	143 Å²	143	55.6 Å²	55.6	54%	0.54	27%	0.268	S	S	.	.	H	α-helix	trans	-61.4	-50.1	176	-68	-173.1	-64.8	-90.3	5.1	110.9	E163 E164 L165 I169 S170 D171	E163-R167 PolarHBondContact O-N 3.08Å; E163-R167 PolarHBondContact O-NH1 2.85Å; E164-R167 PolarHBondContact O-N 3.25Å; E164-R167 VanDerWaalsContact O-N 3.16Å; L165-R167 VanDerWaalsContact C-N 3.34Å; L165-R167 PolarHBondContact O-N 3.14Å; R167-I169 VanDerWaalsContact C-N 3.34Å; R167-I169 PolarHBondContact O-N 3.24Å; R167-S170 WeakPolarHBondContact O-CB 3.3Å; R167-S170 PolarHBondContact O-N 3.2Å; R167-D171 PolarHBondContact O-N 2.88Å
168	V	98	Very high	97.2	Very high	78 Å²	78	53.6 Å²	53.6	47%	0.473	26%	0.257	S	S	.	.	H	α-helix	trans	-57.3	-45.2	-179.6	174.3	0	0	0	0	112	E164 L165 D171 S172	E164-V168 WeakPolarHBondContact O-CG2 3.42Å; E164-V168 PolarHBondContact O-N 2.81Å; E164-V168 VanDerWaalsContact O-N 3.1Å; L165-V168 PolarHBondContact O-N 3.38Å; V168-D171 CarbonylContact O-C 3.47Å; V168-D171 PolarHBondContact O-N 3.37Å; V168-S172 WeakPolarHBondContact O-CB 3.36Å; V168-S172 PolarHBondContact O-N 3Å; V168-S172 PolarHBondContact O-OG 3.25Å
169	I	97.3	Very high	97	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-70.5	-38.4	-179.9	-65.3	177.7	0	0	0	111.4	L165 R167 D171 S172 F177 M202 P222 D223 Y226 L227	L165-I169 HydrophobicContact CD1-CD1 3.8Å; L165-I169 HydrophobicContact CD1-CG1 4Å; L165-I169 HydrophobicContact CG-CD1 3.9Å; L165-I169 HydrophobicContact CG-CG1 4.41Å; L165-I169 WeakPolarHBondContact O-CG1 3.07Å; L165-I169 PolarHBondContact O-N 2.76Å; R167-I169 VanDerWaalsContact C-N 3.34Å; R167-I169 PolarHBondContact O-N 3.24Å; I169-D171 PolarHBondContact O-N 3.05Å; I169-S172 PolarHBondContact O-N 3.01Å; I169-S172 VanDerWaalsContact O-N 3.15Å; I169-F177 HydrophobicContact CD1-CE2 4.5Å; I169-F177 HydrophobicContact CG1-CE2 4.25Å; I169-F177 HydrophobicContact CG2-CE2 4.42Å; I169-M202 HydrophobicContact CD1-CE 4.36Å; I169-M202 HydrophobicContact CD1-SD 4.35Å; I169-P222 WeakPolarHBondContact O-CB 3.37Å; I169-D223 HydrophobicContact CG2-CB 4.34Å; I169-Y226 HydrophobicContact CD1-CD1 3.15Å; I169-Y226 HydrophobicContact CD1-CE1 3.34Å; I169-Y226 HydrophobicContact CD1-CG 4.03Å; I169-L227 HydrophobicContact CB-CD2 3.85Å; I169-L227 HydrophobicContact CB-CG 4.39Å; I169-L227 HydrophobicContact CG2-CD1 4.35Å; I169-L227 HydrophobicContact CG2-CD2 3.74Å; I169-L227 HydrophobicContact CG2-CG 3.7Å
170	S	97.8	Very high	97	Very high	46 Å²	46	52.1 Å²	52.1	32%	0.322	25%	0.252	S	S	.	.	H	α-helix	trans	-60.1	-38.3	175.6	-60.9	0	0	0	0	111.5	N166 R167 S172	N166-S170 WeakPolarHBondContact O-CB 3.36Å; N166-S170 PolarHBondContact O-N 3.48Å; N166-S170 PolarHBondContact O-OG 3.04Å; R167-S170 WeakPolarHBondContact O-CB 3.3Å; R167-S170 PolarHBondContact O-N 3.2Å; S170-S172 VanDerWaalsContact C-N 3.29Å; S170-S172 PolarHBondContact O-N 3.17Å
171	D	96.7	Very high	97	Very high	132 Å²	132	48 Å²	48	71%	0.706	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	9.2	179	-63.1	-22.2	0	0	0	113.6	R167 V168 I169 P173	R167-D171 PolarHBondContact O-N 2.88Å; V168-D171 CarbonylContact O-C 3.47Å; V168-D171 PolarHBondContact O-N 3.37Å; I169-D171 PolarHBondContact O-N 3.05Å; D171-P173 WeakPolarHBondContact O-CD 3.48Å
172	S	94.6	Very high	97	Very high	29 Å²	29	41.4 Å²	41.4	20%	0.203	21%	0.208	C	C	.	.			trans	-113	62.1	179.1	-64.3	0	0	0	0	112.3	V168 I169 S170 G174 Y175	V168-S172 WeakPolarHBondContact O-CB 3.36Å; V168-S172 PolarHBondContact O-N 3Å; V168-S172 PolarHBondContact O-OG 3.25Å; I169-S172 PolarHBondContact O-N 3.01Å; I169-S172 VanDerWaalsContact O-N 3.15Å; S170-S172 VanDerWaalsContact C-N 3.29Å; S170-S172 PolarHBondContact O-N 3.17Å; S172-G174 PolarHBondContact O-N 2.59Å; S172-Y175 PolarHBondContact O-N 3.31Å
173	P	93.9	Very high	96.9	Very high	62 Å²	62	42.6 Å²	42.6	40%	0.403	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	137.3	-176.5	27.7	-35.3	0	0	0	111.7	D171 Y175	D171-P173 WeakPolarHBondContact O-CD 3.48Å; P173-Y175 VanDerWaalsContact C-N 3.3Å; P173-Y175 PolarHBondContact O-N 3.04Å
174	G	94.1	Very high	96.9	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.5	-10.1	-180	0	0	0	0	0	115.3	S172 C210 H219 G221	S172-G174 PolarHBondContact O-N 2.59Å; G174-C210 WeakPolarHBondContact O-CA 3.16Å; G174-H219 VanDerWaalsContact CA-O 3.3Å; G174-H219 WeakPolarHBondContact CA-O 3.43Å; G174-G221 PolarHBondContact N-O 2.95Å
175	Y	95.5	Very high	96.9	Very high	100 Å²	100	36 Å²	36	39%	0.392	18%	0.184	S	C	.	.			trans	-74.5	142.2	167.8	-77.1	-97.5	0	0	0	111.2	S172 P173 F177 T209 C210	S172-Y175 PolarHBondContact O-N 3.31Å; P173-Y175 VanDerWaalsContact C-N 3.3Å; P173-Y175 PolarHBondContact O-N 3.04Å; Y175-F177 HydrophobicContact CD1-CE1 4.17Å; Y175-F177 HydrophobicContact CD1-CZ 4.06Å; Y175-F177 HydrophobicContact CG-CZ 4.2Å; Y175-T209 CarbonylContact C-O 3.58Å; Y175-T209 WeakPolarHBondContact CA-O 3.24Å; Y175-C210 HydrophobicContact CD1-CB 3.56Å; Y175-C210 HydrophobicContact CD2-CB 4.19Å; Y175-C210 HydrophobicContact CE1-CB 3.51Å; Y175-C210 HydrophobicContact CE2-CB 4.14Å; Y175-C210 HydrophobicContact CG-CB 3.92Å
176	R	96.4	Very high	96.8	Very high	28 Å²	28	35 Å²	35	11%	0.106	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	138.1	167.9	-59.7	-66.9	-179.4	-97.6	10.6	109.4	Y178 S208 T209 H219 V220 G221 P222 D223	R176-Y178 HydrophobicContact CB-CD2 4.1Å; R176-Y178 HydrophobicContact CB-CE1 4.15Å; R176-Y178 HydrophobicContact CB-CE2 3.6Å; R176-Y178 HydrophobicContact CG-CE2 4.1Å; R176-S208 CarbonylContact O-C 3.51Å; R176-S208 WeakPolarHBondContact O-CA 3.31Å; R176-S208 VanDerWaalsContact O-CB 3.29Å; R176-S208 WeakPolarHBondContact O-CB 3.17Å; R176-T209 HydrophobicContact CB-CG2 3.72Å; R176-T209 HydrophobicContact CG-CG2 4.09Å; R176-T209 PolarHBondContact N-O 3.05Å; R176-T209 PolarHBondContact O-N 3.27Å; R176-H219 HydrophobicContact CG-CB 4.05Å; R176-H219 VanDerWaalsContact CZ-CB 3.47Å; R176-H219 PolarHBondContact NE-ND1 2.95Å; R176-V220 PolarHBondContact NH2-O 3.38Å; R176-G221 PolarHBondContact NH1-O 3.27Å; R176-G221 PolarHBondContact NH2-O 2.87Å; R176-P222 PolarHBondContact NH1-O 3.2Å; R176-P222 VanDerWaalsContact NH1-O 3.16Å; R176-P222 PolarHBondContact NH2-O 2.92Å; R176-D223 WeakPolarHBondContact CA-OD2 3.2Å
177	F	96.5	Very high	96.7	Very high	23 Å²	23	33.7 Å²	33.7	10%	0.101	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	50.8	-173.4	-54.6	-77.3	0	0	0	111.5	I169 Y175 S179 S180 M202 F205 D223 Y226	I169-F177 HydrophobicContact CD1-CE2 4.5Å; I169-F177 HydrophobicContact CG1-CE2 4.25Å; I169-F177 HydrophobicContact CG2-CE2 4.42Å; Y175-F177 HydrophobicContact CD1-CE1 4.17Å; Y175-F177 HydrophobicContact CD1-CZ 4.06Å; Y175-F177 HydrophobicContact CG-CZ 4.2Å; F177-S179 PolarHBondContact O-N 2.99Å; F177-S180 WeakPolarHBondContact CB-OG 3.47Å; F177-S180 WeakPolarHBondContact O-CB 3.49Å; F177-S180 PolarHBondContact O-N 3.18Å; F177-S180 PolarHBondContact O-OG 3.27Å; F177-M202 HydrophobicContact CB-CE 4.08Å; F177-M202 HydrophobicContact CD1-CE 3.64Å; F177-M202 HydrophobicContact CD2-CE 3.8Å; F177-M202 HydrophobicContact CE1-CE 3.92Å; F177-M202 HydrophobicContact CE2-CE 4.07Å; F177-M202 HydrophobicContact CG-CE 3.56Å; F177-M202 HydrophobicContact CZ-CE 4.12Å; F177-F205 HydrophobicContact CD1-CD1 4.06Å; F177-F205 HydrophobicContact CD1-CE1 4.13Å; F177-F205 HydrophobicContact CE1-CE1 4.37Å; F177-D223 HydrophobicContact CD2-CB 4.25Å; F177-D223 PolarHBondContact N-OD2 3.19Å; F177-Y226 HydrophobicContact CB-CD2 3.74Å; F177-Y226 HydrophobicContact CB-CE2 4.05Å; F177-Y226 HydrophobicContact CD2-CD2 4.34Å; F177-Y226 HydrophobicContact CD2-CG 4.47Å; F177-Y226 HydrophobicContact CG-CD2 4.43Å
178	Y	95.8	Very high	96.5	Very high	17 Å²	17	26.9 Å²	26.9	7%	0.067	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	136.1	-174.2	-56.5	-55.6	0	0	0	112.4	R77 R176 S180 H207 T209 H219	R77-Y178 HydrophobicContact CB-CD1 4.07Å; R77-Y178 HydrophobicContact CB-CE1 4.14Å; R77-Y178 VanDerWaalsContact CD-CE1 3.47Å; R77-Y178 HydrophobicContact CG-CD1 3.78Å; R77-Y178 HydrophobicContact CG-CE1 3.88Å; R77-Y178 PolarHBondContact NH1-OH 3.31Å; R176-Y178 HydrophobicContact CB-CD2 4.1Å; R176-Y178 HydrophobicContact CB-CE1 4.15Å; R176-Y178 HydrophobicContact CB-CE2 3.6Å; R176-Y178 HydrophobicContact CG-CE2 4.1Å; Y178-S180 PolarHBondContact O-N 2.85Å; Y178-H207 WeakPolarHBondContact O-CB 3.38Å; Y178-T209 HydrophobicContact CE2-CG2 4.14Å; Y178-H219 PolarHBondContact OH-CE1 3.34Å
179	S	94.3	Very high	96.2	Very high	14 Å²	14	24.2 Å²	24.2	10%	0.098	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	8.1	178.1	-170.9	0	0	0	0	115.7	F177	F177-S179 PolarHBondContact O-N 2.99Å
180	S	97.5	Very high	95.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.141	C	C	.	.			trans	-69.9	166.6	172	65.6	0	0	0	0	110.9	M74 F177 Y178 I203 Y226	M74-S180 PolarHBondContact N-O 3.21Å; F177-S180 WeakPolarHBondContact CB-OG 3.47Å; F177-S180 WeakPolarHBondContact O-CB 3.49Å; F177-S180 PolarHBondContact O-N 3.18Å; F177-S180 PolarHBondContact O-OG 3.27Å; Y178-S180 PolarHBondContact O-N 2.85Å; S180-I203 WeakPolarHBondContact CA-O 3.44Å; S180-I203 VanDerWaalsContact CB-O 3.3Å; S180-I203 WeakPolarHBondContact CB-O 3.36Å; S180-Y226 VanDerWaalsContact OG-CE2 3.25Å; S180-Y226 WeakPolarHBondContact OG-CE2 3.34Å
181	S	98.2	Very high	95.5	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	153.8	177.8	-70.8	0	0	0	0	111	D71 L72 K73 M202 I203	D71-S181 WeakPolarHBondContact OD1-CB 3.36Å; D71-S181 PolarHBondContact OD1-OG 3.47Å; L72-S181 CarbonylContact O-C 3.6Å; L72-S181 WeakPolarHBondContact O-CA 3.35Å; L72-S181 VanDerWaalsContact O-CB 3.3Å; L72-S181 WeakPolarHBondContact O-CB 3.42Å; K73-S181 PolarHBondContact NZ-OG 3.34Å; S181-M202 WeakPolarHBondContact O-CA 3.31Å; S181-I203 PolarHBondContact N-O 2.84Å; S181-I203 PolarHBondContact O-N 3.31Å
182	L	98.4	Very high	95	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	123.7	160.6	-167.2	72.4	0	0	0	108.1	L72 M74 L162 L165 V200 M202 L233	L72-L182 HydrophobicContact CB-CB 4.4Å; L72-L182 PolarHBondContact N-O 3.36Å; L72-L182 PolarHBondContact O-N 3.41Å; M74-L182 HydrophobicContact CG-CB 4Å; M74-L182 HydrophobicContact SD-CB 3.98Å; L162-L182 HydrophobicContact CD2-CD2 3.48Å; L162-L182 VanDerWaalsContact CD2-CD2 3.48Å; L165-L182 HydrophobicContact CD2-CD1 3.65Å; L182-V200 HydrophobicContact CD1-CG1 3.72Å; L182-V200 HydrophobicContact CD2-CG1 3.94Å; L182-V200 HydrophobicContact CG-CG1 3.89Å; L182-M202 HydrophobicContact CD1-CG 4.31Å; L182-L233 HydrophobicContact CD2-CD1 4.04Å
183	L	98.5	Very high	94.5	Very high	25 Å²	25	29.5 Å²	29.5	13%	0.131	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	120.2	178.2	-168.5	70.9	0	0	0	109.1	L60 V69 L70 D71 I185 V200 R201 I203	L60-L183 HydrophobicContact CD1-CD2 3.94Å; V69-L183 HydrophobicContact CG1-CD1 3.64Å; V69-L183 HydrophobicContact CG1-CG 4.39Å; L70-L183 WeakPolarHBondContact O-CA 3.43Å; D71-L183 HydrophobicContact CB-CD1 4.21Å; L183-I185 HydrophobicContact CD2-CD1 3.73Å; L183-I185 HydrophobicContact CD2-CG1 4.14Å; L183-I185 HydrophobicContact CG-CD1 4.16Å; L183-I185 HydrophobicContact CG-CG1 3.99Å; L183-V200 CarbonylContact O-C 3.59Å; L183-V200 WeakPolarHBondContact O-CA 3.41Å; L183-R201 PolarHBondContact N-O 3.44Å; L183-R201 PolarHBondContact O-N 3.05Å; L183-I203 HydrophobicContact CB-CD1 4.01Å; L183-I203 HydrophobicContact CB-CG1 4.24Å; L183-I203 HydrophobicContact CB-CG2 4.13Å; L183-I203 HydrophobicContact CD1-CD1 4.24Å; L183-I203 HydrophobicContact CD2-CD1 4.29Å; L183-I203 HydrophobicContact CD2-CG2 4.39Å; L183-I203 HydrophobicContact CG-CD1 4.42Å
184	I	98.5	Very high	94.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	127.7	175.7	-53.2	176.6	0	0	0	107.8	V69 L70 L72 F143 V158 I198 D199 V200	V69-I184 CarbonylContact C-O 3.51Å; V69-I184 WeakPolarHBondContact CA-O 3.39Å; L70-I184 HydrophobicContact CB-CB 4.39Å; L70-I184 HydrophobicContact CD2-CD1 4.36Å; L70-I184 PolarHBondContact N-O 2.97Å; L70-I184 PolarHBondContact O-N 2.91Å; L72-I184 HydrophobicContact CD1-CD1 4.06Å; F143-I184 HydrophobicContact CE1-CB 4.17Å; F143-I184 HydrophobicContact CE1-CG2 3.76Å; F143-I184 HydrophobicContact CZ-CB 4.48Å; F143-I184 HydrophobicContact CZ-CG2 4.28Å; V158-I184 HydrophobicContact CG1-CD1 3.92Å; V158-I184 HydrophobicContact CG2-CG2 3.97Å; I184-I198 HydrophobicContact CG2-CD1 4.35Å; I184-D199 WeakPolarHBondContact CA-O 3.35Å; I184-V200 HydrophobicContact CG1-CG1 4.44Å; I184-V200 HydrophobicContact CG1-CG2 4.31Å; I184-V200 HydrophobicContact CG2-CG2 4.28Å
185	I	97.6	Very high	93.8	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	133.2	-177.6	-49.5	177.8	0	0	0	108.6	L60 T61 Y64 P67 S68 V69 L183 I198 D199	L60-I185 HydrophobicContact CB-CD1 3.52Å; L60-I185 HydrophobicContact CD1-CD1 4.36Å; T61-I185 HydrophobicContact CG2-CD1 3.9Å; T61-I185 HydrophobicContact CG2-CG2 4.21Å; Y64-I185 HydrophobicContact CD1-CG2 4.29Å; Y64-I185 HydrophobicContact CD2-CG2 4.18Å; Y64-I185 HydrophobicContact CE1-CG2 4.04Å; Y64-I185 HydrophobicContact CE2-CG2 3.93Å; Y64-I185 HydrophobicContact CG-CG2 4.36Å; P67-I185 HydrophobicContact CB-CG2 4.06Å; S68-I185 CarbonylContact O-C 3.58Å; S68-I185 VanDerWaalsContact O-CA 3.28Å; S68-I185 WeakPolarHBondContact O-CA 3.48Å; V69-I185 HydrophobicContact CG1-CG1 4.44Å; V69-I185 HydrophobicContact CG2-CG1 4.46Å; V69-I185 HydrophobicContact CG2-CG2 4.22Å; L183-I185 HydrophobicContact CD2-CD1 3.73Å; L183-I185 HydrophobicContact CD2-CG1 4.14Å; L183-I185 HydrophobicContact CG-CD1 4.16Å; L183-I185 HydrophobicContact CG-CG1 3.99Å; I185-I198 CarbonylContact O-C 3.43Å; I185-I198 VanDerWaalsContact O-CA 3.25Å; I185-I198 WeakPolarHBondContact O-CA 3.11Å; I185-I198 WeakPolarHBondContact O-CG1 3.42Å; I185-D199 PolarHBondContact N-O 3.16Å; I185-D199 PolarHBondContact O-N 2.84Å
186	Y	97.3	Very high	93.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	161.4	172.6	76.3	-95.8	0	0	0	112.2	P67 S68 F143 F144 L154 G188 L197	P67-Y186 WeakPolarHBondContact CA-O 3.28Å; S68-Y186 PolarHBondContact N-O 3.4Å; S68-Y186 PolarHBondContact O-N 2.91Å; S68-Y186 PolarHBondContact OG-OH 3.39Å; F143-Y186 HydrophobicContact CD1-CE1 4.15Å; F143-Y186 HydrophobicContact CD2-CE1 4.31Å; F143-Y186 AromaticContact CE1-CD1 3.71Å; F143-Y186 HydrophobicContact CE1-CD1 3.71Å; F143-Y186 AromaticContact CE1-CE1 3.69Å; F143-Y186 HydrophobicContact CE1-CE1 3.69Å; F143-Y186 HydrophobicContact CE2-CD1 4.29Å; F143-Y186 AromaticContact CE2-CE1 3.86Å; F143-Y186 HydrophobicContact CE2-CE1 3.86Å; F143-Y186 HydrophobicContact CG-CE1 4.45Å; F143-Y186 AromaticContact CZ-CD1 3.56Å; F143-Y186 HydrophobicContact CZ-CD1 3.56Å; F143-Y186 AromaticContact CZ-CE1 3.54Å; F143-Y186 HydrophobicContact CZ-CE1 3.54Å; F143-Y186 VanDerWaalsContact O-CE1 3.31Å; F143-Y186 WeakPolarHBondContact O-CE1 3.44Å; F143-Y186 PolarHBondContact O-OH 2.64Å; F144-Y186 HydrophobicContact CD1-CD1 4.49Å; F144-Y186 HydrophobicContact CD1-CE1 4.31Å; F144-Y186 HydrophobicContact CE1-CD1 4.46Å; L154-Y186 HydrophobicContact CD1-CD1 4.13Å; L154-Y186 HydrophobicContact CD1-CD2 3.26Å; L154-Y186 HydrophobicContact CD1-CE2 3.78Å; L154-Y186 HydrophobicContact CD1-CG 3.49Å; L154-Y186 VanDerWaalsContact CD1-CG 3.49Å; Y186-G188 PolarHBondContact O-N 3.43Å; Y186-L197 VanDerWaalsContact CA-O 3.3Å; Y186-L197 WeakPolarHBondContact CA-O 3.07Å; Y186-L197 WeakPolarHBondContact CB-O 3.3Å
187	E	95.4	Very high	93.3	Very high	5 Å²	5	39.8 Å²	39.8	2%	0.023	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	113.3	174.5	177.7	58.7	-103.8	0	0	111.4	Y64 H65 Y66 D189 A192 L197	Y64-E187 HydrophobicContact CD1-CB 3.98Å; Y64-E187 HydrophobicContact CE1-CB 4.48Å; H65-E187 PolarHBondContact N-OE2 3.37Å; H65-E187 IonicContact ND1-OE2 3.93Å; Y66-E187 WeakPolarHBondContact CA-OE1 3.38Å; Y66-E187 VanDerWaalsContact CB-OE1 3.31Å; Y66-E187 WeakPolarHBondContact CB-OE1 3.48Å; Y66-E187 PolarHBondContact N-OE1 3.02Å; Y66-E187 PolarHBondContact N-OE2 3.07Å; E187-D189 VanDerWaalsContact C-N 3.32Å; E187-D189 WeakPolarHBondContact CG-O 3.33Å; E187-D189 PolarHBondContact O-N 3.49Å; E187-D189 PolarHBondContact OE1-N 3.3Å; E187-D189 VanDerWaalsContact OE1-N 3.15Å; E187-A192 HydrophobicContact CG-CB 3.93Å; E187-L197 HydrophobicContact CB-CB 4.15Å; E187-L197 PolarHBondContact N-O 3.41Å; E187-L197 VanDerWaalsContact N-O 3.07Å
188	G	94.2	Very high	93.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.216	C	C	.	.	S	Bend	trans	-64.6	-33.3	-179	0	0	0	0	0	113.8	Y66 Y186 A190	Y66-G188 VanDerWaalsContact O-CA 3.29Å; Y66-G188 WeakPolarHBondContact O-CA 3.4Å; Y66-G188 PolarHBondContact O-N 2.93Å; Y186-G188 PolarHBondContact O-N 3.43Å; G188-A190 PolarHBondContact O-N 3.49Å
189	D	92	Very high	93.4	Very high	22 Å²	22	41.3 Å²	41.3	12%	0.118	22%	0.222	C	C	.	.			trans	-85.3	103	174.2	-162.9	-29.1	0	0	0	110.7	Y66 F113 Q115 K118 E187 Y191 A192	Y66-D189 HydrophobicContact CD2-CB 3.61Å; Y66-D189 HydrophobicContact CE2-CB 4.14Å; F113-D189 HydrophobicContact CE1-CB 4.4Å; Q115-D189 PolarHBondContact NE2-OD1 3.3Å; K118-D189 IonicContact NZ-OD2 3.66Å; K118-D189 PolarHBondContact NZ-OD2 2.96Å; K118-D189 VanDerWaalsContact NZ-OD2 3.14Å; E187-D189 VanDerWaalsContact C-N 3.32Å; E187-D189 WeakPolarHBondContact CG-O 3.33Å; E187-D189 PolarHBondContact O-N 3.49Å; E187-D189 PolarHBondContact OE1-N 3.3Å; E187-D189 VanDerWaalsContact OE1-N 3.15Å; D189-Y191 PolarHBondContact O-N 3.24Å; D189-Y191 PolarHBondContact OD1-N 2.91Å; D189-Y191 VanDerWaalsContact OD1-N 3.14Å; D189-A192 HydrophobicContact CB-CB 4.02Å; D189-A192 WeakPolarHBondContact O-CB 3.31Å; D189-A192 PolarHBondContact O-N 3.44Å
190	A	91.5	Very high	93.6	Very high	33 Å²	33	41.8 Å²	41.8	27%	0.273	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-17.5	-177.1	0	0	0	0	0	114.2	G188	G188-A190 PolarHBondContact O-N 3.49Å
191	Y	88.9	Confident	93.6	Very high	182 Å²	182	46.2 Å²	46.2	71%	0.714	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.5	-3	-179.9	-52.2	-57.2	0	0	0	113.6	D189 N193	D189-Y191 PolarHBondContact O-N 3.24Å; D189-Y191 PolarHBondContact OD1-N 2.91Å; D189-Y191 VanDerWaalsContact OD1-N 3.14Å; Y191-N193 VanDerWaalsContact C-N 3.28Å; Y191-N193 PolarHBondContact O-N 3.26Å
192	A	85.8	Confident	93.6	Very high	42 Å²	42	48.1 Å²	48.1	35%	0.347	25%	0.25	S	S	.	.	S	Bend	trans	-71.8	-20.6	-176.5	0	0	0	0	0	113.6	E187 D189	E187-A192 HydrophobicContact CG-CB 3.93Å; D189-A192 HydrophobicContact CB-CB 4.02Å; D189-A192 WeakPolarHBondContact O-CB 3.31Å; D189-A192 PolarHBondContact O-N 3.44Å
193	N	85.2	Confident	93.5	Very high	63 Å²	63	50 Å²	50	34%	0.337	26%	0.26	S	S	.	.	S	Bend	trans	-134.9	151.2	-177.3	-64.8	-69.9	0	0	0	111.2	Y191 S195	Y191-N193 VanDerWaalsContact C-N 3.28Å; Y191-N193 PolarHBondContact O-N 3.26Å; N193-S195 VanDerWaalsContact C-N 3.27Å; N193-S195 VanDerWaalsContact CB-O 3.29Å; N193-S195 WeakPolarHBondContact CB-O 3.28Å; N193-S195 PolarHBondContact O-N 3.01Å
194	Q	83.7	Confident	93.4	Very high	212 Å²	212	52.2 Å²	52.2	99%	0.991	27%	0.272	S	S	*	.	S	Bend	trans	-67.3	-29.5	175.2	-67	-179.6	3.6	0	0	112.6
195	S	88.1	Confident	93.2	Very high	82 Å²	82	57.4 Å²	57.4	57%	0.573	29%	0.294	S	S	*	.	S	Bend	trans	-123.8	151.5	177.2	59.3	0	0	0	0	110.9	N193 L197	N193-S195 VanDerWaalsContact C-N 3.27Å; N193-S195 VanDerWaalsContact CB-O 3.29Å; N193-S195 WeakPolarHBondContact CB-O 3.28Å; N193-S195 PolarHBondContact O-N 3.01Å; S195-L197 PolarHBondContact O-N 3.32Å; S195-L197 VanDerWaalsContact O-N 3.15Å
196	P	89.2	Confident	92.9	Very high	58 Å²	58	60.5 Å²	60.5	38%	0.377	33%	0.327	S	S	.	.			trans	-59	119.3	176	-20.1	31.3	0	0	0	111.4	D153 L154 L157	D153-P196 VanDerWaalsContact OD2-CG 3.23Å; D153-P196 WeakPolarHBondContact OD2-CG 3.41Å; L154-P196 HydrophobicContact CD2-CB 3.54Å; L157-P196 HydrophobicContact CD1-CB 4.18Å
197	L	93.8	Very high	92.7	Very high	54 Å²	54	62.9 Å²	62.9	28%	0.283	34%	0.338	S	S	.	.			trans	-93.6	117.3	177	-174.9	66.3	0	0	0	109.5	Y64 Y186 E187 S195	Y64-L197 HydrophobicContact CD1-CD2 3.7Å; Y64-L197 HydrophobicContact CD1-CG 4.14Å; Y64-L197 HydrophobicContact CD2-CD2 4.48Å; Y64-L197 HydrophobicContact CE1-CB 4.22Å; Y64-L197 HydrophobicContact CE1-CD2 3.58Å; Y64-L197 HydrophobicContact CE1-CG 3.51Å; Y64-L197 HydrophobicContact CE2-CD2 4.37Å; Y64-L197 HydrophobicContact CG-CD2 4.18Å; Y186-L197 VanDerWaalsContact CA-O 3.3Å; Y186-L197 WeakPolarHBondContact CA-O 3.07Å; Y186-L197 WeakPolarHBondContact CB-O 3.3Å; E187-L197 HydrophobicContact CB-CB 4.15Å; E187-L197 PolarHBondContact N-O 3.41Å; E187-L197 VanDerWaalsContact N-O 3.07Å; S195-L197 PolarHBondContact O-N 3.32Å; S195-L197 VanDerWaalsContact O-N 3.15Å
198	I	96.5	Very high	92.5	Very high	36 Å²	36	63.8 Å²	63.8	19%	0.185	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	144.2	-178.6	-173.4	157.1	0	0	0	111.9	F144 L154 L157 V158 I184 I185	F144-I198 HydrophobicContact CE1-CD1 4.38Å; L154-I198 HydrophobicContact CB-CD1 3.96Å; L154-I198 HydrophobicContact CD2-CB 4.04Å; L154-I198 HydrophobicContact CD2-CD1 4.07Å; L154-I198 HydrophobicContact CD2-CG2 4.28Å; L157-I198 HydrophobicContact CB-CG2 3.99Å; L157-I198 HydrophobicContact CD1-CG2 3.65Å; L157-I198 HydrophobicContact CG-CG2 4.48Å; V158-I198 HydrophobicContact CG2-CD1 3.3Å; V158-I198 HydrophobicContact CG2-CG1 4.29Å; I184-I198 HydrophobicContact CG2-CD1 4.35Å; I185-I198 CarbonylContact O-C 3.43Å; I185-I198 VanDerWaalsContact O-CA 3.25Å; I185-I198 WeakPolarHBondContact O-CA 3.11Å; I185-I198 WeakPolarHBondContact O-CG1 3.42Å
199	D	96.7	Very high	92.5	Very high	36 Å²	36	63.9 Å²	63.9	19%	0.193	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	146.9	173.9	-155.3	-11.9	0	0	0	111	Y64 I184 I185 R201	Y64-D199 PolarHBondContact OH-N 3.08Å; I184-D199 WeakPolarHBondContact CA-O 3.35Å; I185-D199 PolarHBondContact N-O 3.16Å; I185-D199 PolarHBondContact O-N 2.84Å; D199-R201 VanDerWaalsContact CG-NE 3.35Å; D199-R201 WeakPolarHBondContact OD1-CD 3.38Å; D199-R201 WeakPolarHBondContact OD1-CG 3.25Å; D199-R201 IonicContact OD1-CZ 3.12Å; D199-R201 IonicContact OD1-NE 3.6Å; D199-R201 PolarHBondContact OD1-NE 3.06Å; D199-R201 IonicContact OD1-NH2 3.83Å; D199-R201 IonicContact OD2-CZ 3.78Å; D199-R201 VanDerWaalsContact OD2-CZ 3.24Å; D199-R201 IonicContact OD2-NE 2.97Å; D199-R201 PolarHBondContact OD2-NE 2.79Å; D199-R201 IonicContact OD2-NH2 3.14Å; D199-R201 PolarHBondContact OD2-NH2 3.37Å
200	V	98	Very high	92.5	Very high	24 Å²	24	63.4 Å²	63.4	15%	0.145	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	110.1	178.7	179.3	0	0	0	0	107.7	V158 R161 L182 L183 I184	V158-V200 HydrophobicContact CG1-CG2 4.36Å; V158-V200 HydrophobicContact CG2-CG2 4.02Å; R161-V200 HydrophobicContact CB-CB 4.13Å; R161-V200 HydrophobicContact CB-CG1 4.45Å; R161-V200 HydrophobicContact CB-CG2 4.18Å; R161-V200 HydrophobicContact CG-CB 4.46Å; R161-V200 HydrophobicContact CG-CG2 4.38Å; L182-V200 HydrophobicContact CD1-CG1 3.72Å; L182-V200 HydrophobicContact CD2-CG1 3.94Å; L182-V200 HydrophobicContact CG-CG1 3.89Å; L183-V200 CarbonylContact O-C 3.59Å; L183-V200 WeakPolarHBondContact O-CA 3.41Å; I184-V200 HydrophobicContact CG1-CG1 4.44Å; I184-V200 HydrophobicContact CG1-CG2 4.31Å; I184-V200 HydrophobicContact CG2-CG2 4.28Å
201	R	97.8	Very high	92.2	Very high	94 Å²	94	67.4 Å²	67.4	36%	0.355	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	140.1	-173.8	-60.9	-67.3	-172.8	93.2	16.2	112.2	E58 L60 L183 D199 I203	E58-R201 IonicContact OE2-NH1 3.77Å; E58-R201 PolarHBondContact OE2-NH1 3.28Å; E58-R201 IonicContact OE2-NH2 2.89Å; L60-R201 HydrophobicContact CD1-CB 3.96Å; L60-R201 HydrophobicContact CD1-CG 3.74Å; L60-R201 HydrophobicContact CD2-CG 4.07Å; L183-R201 PolarHBondContact N-O 3.44Å; L183-R201 PolarHBondContact O-N 3.05Å; D199-R201 VanDerWaalsContact CG-NE 3.35Å; D199-R201 WeakPolarHBondContact OD1-CD 3.38Å; D199-R201 WeakPolarHBondContact OD1-CG 3.25Å; D199-R201 IonicContact OD1-CZ 3.12Å; D199-R201 IonicContact OD1-NE 3.6Å; D199-R201 PolarHBondContact OD1-NE 3.06Å; D199-R201 IonicContact OD1-NH2 3.83Å; D199-R201 IonicContact OD2-CZ 3.78Å; D199-R201 VanDerWaalsContact OD2-CZ 3.24Å; D199-R201 IonicContact OD2-NE 2.97Å; D199-R201 PolarHBondContact OD2-NE 2.79Å; D199-R201 IonicContact OD2-NH2 3.14Å; D199-R201 PolarHBondContact OD2-NH2 3.37Å; R201-I203 HydrophobicContact CB-CG2 4.4Å
202	M	98	Very high	92	Very high	39 Å²	39	65.2 Å²	65.2	19%	0.192	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	134.6	162.6	-63.6	-177.8	71.3	0	0	109.6	L165 I169 F177 S181 L182 F205 Y226	L165-M202 HydrophobicContact CD1-CG 4.05Å; L165-M202 HydrophobicContact CD1-SD 3.56Å; L165-M202 VanDerWaalsContact CD1-SD 3.56Å; L165-M202 HydrophobicContact CD2-CG 4.33Å; I169-M202 HydrophobicContact CD1-CE 4.36Å; I169-M202 HydrophobicContact CD1-SD 4.35Å; F177-M202 HydrophobicContact CB-CE 4.08Å; F177-M202 HydrophobicContact CD1-CE 3.64Å; F177-M202 HydrophobicContact CD2-CE 3.8Å; F177-M202 HydrophobicContact CE1-CE 3.92Å; F177-M202 HydrophobicContact CE2-CE 4.07Å; F177-M202 HydrophobicContact CG-CE 3.56Å; F177-M202 HydrophobicContact CZ-CE 4.12Å; S181-M202 WeakPolarHBondContact O-CA 3.31Å; L182-M202 HydrophobicContact CD1-CG 4.31Å; M202-F205 HydrophobicContact CB-CE1 3.82Å; M202-F205 HydrophobicContact CB-CZ 3.56Å; M202-F205 HydrophobicContact CE-CE1 4.09Å; M202-F205 WeakPolarHBondContact O-CZ 3.34Å; M202-Y226 HydrophobicContact CE-CD2 4.42Å; M202-Y226 HydrophobicContact CE-CE1 4.09Å; M202-Y226 HydrophobicContact CE-CE2 3.7Å; M202-Y226 WeakPolarHBondContact CG-OH 3.33Å
203	I	97.5	Very high	92	Very high	42 Å²	42	68.4 Å²	68.4	22%	0.215	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	170.6	179	65	163.1	0	0	0	111.4	S180 S181 L183 R201	S180-I203 WeakPolarHBondContact CA-O 3.44Å; S180-I203 VanDerWaalsContact CB-O 3.3Å; S180-I203 WeakPolarHBondContact CB-O 3.36Å; S181-I203 PolarHBondContact N-O 2.84Å; S181-I203 PolarHBondContact O-N 3.31Å; L183-I203 HydrophobicContact CB-CD1 4.01Å; L183-I203 HydrophobicContact CB-CG1 4.24Å; L183-I203 HydrophobicContact CB-CG2 4.13Å; L183-I203 HydrophobicContact CD1-CD1 4.24Å; L183-I203 HydrophobicContact CD2-CD1 4.29Å; L183-I203 HydrophobicContact CD2-CG2 4.39Å; L183-I203 HydrophobicContact CG-CD1 4.42Å; R201-I203 HydrophobicContact CB-CG2 4.4Å
204	D	95.2	Very high	91.6	Very high	71 Å²	71	74.5 Å²	74.5	38%	0.38	39%	0.385	S	S	.	.			trans	66.7	47	169.8	-112.6	1.1	0	0	0	114.3	K2 G206	K2-D204 IonicContact NZ-OD1 3.15Å; K2-D204 PolarHBondContact NZ-OD1 3.41Å; D204-G206 PolarHBondContact O-N 3.45Å
205	F	94.7	Very high	91.5	Very high	108 Å²	108	73.6 Å²	73.6	47%	0.474	38%	0.381	S	S	.	.			trans	-69.5	12.7	-179.8	-54.4	-70.9	0	0	0	116.4	F177 M202 H207 S208	F177-F205 HydrophobicContact CD1-CD1 4.06Å; F177-F205 HydrophobicContact CD1-CE1 4.13Å; F177-F205 HydrophobicContact CE1-CE1 4.37Å; M202-F205 HydrophobicContact CB-CE1 3.82Å; M202-F205 HydrophobicContact CB-CZ 3.56Å; M202-F205 HydrophobicContact CE-CE1 4.09Å; M202-F205 WeakPolarHBondContact O-CZ 3.34Å; F205-H207 PolarHBondContact O-N 2.92Å; F205-S208 WeakPolarHBondContact CA-OG 3.38Å; F205-S208 WeakPolarHBondContact O-CB 3.13Å; F205-S208 PolarHBondContact O-N 3.01Å; F205-S208 PolarHBondContact O-OG 3.14Å
206	G	91.7	Very high	91.3	Very high	67 Å²	67	72 Å²	72	69%	0.691	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-6.6	-171.3	0	0	0	0	0	116	D204	D204-G206 PolarHBondContact O-N 3.45Å
207	H	92	Very high	91.2	Very high	51 Å²	51	72.4 Å²	72.4	24%	0.236	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.7	18.6	173	-59.9	-42.2	0	0	0	111.6	K87 Y178 F205	K87-H207 PolarHBondContact NZ-CE1 3.01Å; K87-H207 PolarHBondContact NZ-NE2 2.86Å; Y178-H207 WeakPolarHBondContact O-CB 3.38Å; F205-H207 PolarHBondContact O-N 2.92Å
208	S	93.1	Very high	91	Very high	23 Å²	23	75.1 Å²	75.1	16%	0.161	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	147.1	174	-57	0	0	0	0	110.1	R176 F205	R176-S208 CarbonylContact O-C 3.51Å; R176-S208 WeakPolarHBondContact O-CA 3.31Å; R176-S208 VanDerWaalsContact O-CB 3.29Å; R176-S208 WeakPolarHBondContact O-CB 3.17Å; F205-S208 WeakPolarHBondContact CA-OG 3.38Å; F205-S208 WeakPolarHBondContact O-CB 3.13Å; F205-S208 PolarHBondContact O-N 3.01Å; F205-S208 PolarHBondContact O-OG 3.14Å
209	T	93.2	Very high	90.7	Very high	3 Å²	3	74.9 Å²	74.9	2%	0.018	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	155.8	176.1	-178	0	0	0	0	110.6	Y175 R176 Y178 D216	Y175-T209 CarbonylContact C-O 3.58Å; Y175-T209 WeakPolarHBondContact CA-O 3.24Å; R176-T209 HydrophobicContact CB-CG2 3.72Å; R176-T209 HydrophobicContact CG-CG2 4.09Å; R176-T209 PolarHBondContact N-O 3.05Å; R176-T209 PolarHBondContact O-N 3.27Å; Y178-T209 HydrophobicContact CE2-CG2 4.14Å; T209-D216 WeakPolarHBondContact CB-OD2 3.31Å; T209-D216 WeakPolarHBondContact OG1-CB 3.49Å; T209-D216 PolarHBondContact OG1-OD2 2.99Å
210	C	91.8	Very high	90.5	Very high	11 Å²	11	79 Å²	79	7%	0.074	40%	0.404	C	S	.	.			trans	-149	168.9	174.3	73.6	0	0	0	0	109.3	G174 Y175 N212 F213	G174-C210 WeakPolarHBondContact O-CA 3.16Å; Y175-C210 HydrophobicContact CD1-CB 3.56Å; Y175-C210 HydrophobicContact CD2-CB 4.19Å; Y175-C210 HydrophobicContact CE1-CB 3.51Å; Y175-C210 HydrophobicContact CE2-CB 4.14Å; Y175-C210 HydrophobicContact CG-CB 3.92Å; C210-N212 PolarHBondContact O-N 2.99Å; C210-F213 PolarHBondContact O-N 3.05Å
211	R	86	Confident	90.4	Very high	118 Å²	118	79 Å²	79	45%	0.445	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-24.7	-175.4	-64.4	-172.7	174.9	167.6	-0.8	114.6	F213 Q218	R211-F213 VanDerWaalsContact C-N 3.28Å; R211-F213 PolarHBondContact O-N 2.63Å; R211-Q218 VanDerWaalsContact CA-OE1 3.28Å; R211-Q218 VanDerWaalsContact CB-OE1 3.31Å; R211-Q218 PolarHBondContact O-NE2 2.92Å
212	N	84.2	Confident	90.3	Very high	136 Å²	136	76.7 Å²	76.7	73%	0.727	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-4.3	-178.2	-62.9	-3.9	0	0	0	113.3	C210 E214	C210-N212 PolarHBondContact O-N 2.99Å; N212-E214 PolarHBondContact O-N 3.43Å
213	F	85.8	Confident	90.2	Very high	109 Å²	109	75.3 Å²	75.3	48%	0.478	40%	0.399	S	S	.	.			trans	-90.2	96.1	171.1	-62.8	-46.2	0	0	0	109.3	C210 R211 E215 D216	C210-F213 PolarHBondContact O-N 3.05Å; R211-F213 VanDerWaalsContact C-N 3.28Å; R211-F213 PolarHBondContact O-N 2.63Å; F213-E215 PolarHBondContact O-N 2.75Å; F213-E215 VanDerWaalsContact O-N 3.14Å; F213-D216 HydrophobicContact CB-CB 4.12Å; F213-D216 PolarHBondContact O-N 3.41Å
214	E	77.1	Confident	90.2	Very high	190 Å²	190	75.6 Å²	75.6	89%	0.888	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-29.8	-173.8	-62.9	-178.8	173.7	0	0	113.7	N212	N212-E214 PolarHBondContact O-N 3.43Å
215	E	82.1	Confident	90.3	Very high	194 Å²	194	72.9 Å²	72.9	91%	0.907	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-16.1	179.9	-62.1	-176.8	177.5	0	0	113.6	F213	F213-E215 PolarHBondContact O-N 2.75Å; F213-E215 VanDerWaalsContact O-N 3.14Å
216	D	84	Confident	90.4	Very high	47 Å²	47	67.8 Å²	67.8	25%	0.251	38%	0.379	S	S	.	.	S	Bend	trans	-93.7	152.3	-175.4	-75	-23.6	0	0	0	112.4	T209 F213 Q218	T209-D216 WeakPolarHBondContact CB-OD2 3.31Å; T209-D216 WeakPolarHBondContact OG1-CB 3.49Å; T209-D216 PolarHBondContact OG1-OD2 2.99Å; F213-D216 HydrophobicContact CB-CB 4.12Å; F213-D216 PolarHBondContact O-N 3.41Å; D216-Q218 PolarHBondContact O-N 3.37Å
217	P	86.7	Confident	90.8	Very high	68 Å²	68	65.5 Å²	65.5	44%	0.442	35%	0.351	S	S	.	.			trans	-57	135.1	171.3	-24.9	35.6	0	0	0	112.5	D81 H219	D81-P217 HydrophobicContact CB-CG 3.67Å; P217-H219 PolarHBondContact O-CD2 3.32Å; P217-H219 PolarHBondContact O-N 3.44Å
218	Q	88.6	Confident	91.1	Very high	111 Å²	111	67 Å²	67	52%	0.519	36%	0.358	S	S	.	.			trans	-77.1	114.7	178	-66.2	-66.5	-33.5	0	0	110.7	R211 D216	R211-Q218 VanDerWaalsContact CA-OE1 3.28Å; R211-Q218 VanDerWaalsContact CB-OE1 3.31Å; R211-Q218 PolarHBondContact O-NE2 2.92Å; D216-Q218 PolarHBondContact O-N 3.37Å
219	H	91.4	Very high	91.3	Very high	30 Å²	30	65.9 Å²	65.9	14%	0.139	35%	0.35	C	S	.	.			trans	-92.5	141.8	179.4	-69.1	-82.7	0	0	0	112	D81 G174 R176 Y178 P217	D81-H219 IonicContact OD1-NE2 3.89Å; D81-H219 IonicContact OD2-CD2 2.78Å; D81-H219 IonicContact OD2-CE1 3.76Å; D81-H219 IonicContact OD2-NE2 3.24Å; D81-H219 PolarHBondContact OD2-NE2 2.91Å; G174-H219 VanDerWaalsContact CA-O 3.3Å; G174-H219 WeakPolarHBondContact CA-O 3.43Å; R176-H219 HydrophobicContact CG-CB 4.05Å; R176-H219 VanDerWaalsContact CZ-CB 3.47Å; R176-H219 PolarHBondContact NE-ND1 2.95Å; Y178-H219 PolarHBondContact OH-CE1 3.34Å; P217-H219 PolarHBondContact O-CD2 3.32Å; P217-H219 PolarHBondContact O-N 3.44Å
220	V	91.9	Very high	91.6	Very high	123 Å²	123	65.8 Å²	65.8	75%	0.745	35%	0.349	S	S	*	.			trans	-102.9	140	175.8	-177.8	0	0	0	0	110.1	R176	R176-V220 PolarHBondContact NH2-O 3.38Å
221	G	94.9	Very high	91.9	Very high	24 Å²	24	68.6 Å²	68.6	25%	0.247	36%	0.364	C	S	.	.	S	Bend	trans	70	-179.3	-178.4	0	0	0	0	0	114.1	G174 R176	G174-G221 PolarHBondContact N-O 2.95Å; R176-G221 PolarHBondContact NH1-O 3.27Å; R176-G221 PolarHBondContact NH2-O 2.87Å
222	P	96.1	Very high	92.5	Very high	45 Å²	45	63.7 Å²	63.7	29%	0.292	35%	0.348	S	S	.	.	S	Bend	trans	-73.6	171.8	179.7	32.6	-37	0	0	0	112.2	I169 R176 G224 L227	I169-P222 WeakPolarHBondContact O-CB 3.37Å; R176-P222 PolarHBondContact NH1-O 3.2Å; R176-P222 VanDerWaalsContact NH1-O 3.16Å; R176-P222 PolarHBondContact NH2-O 2.92Å; P222-G224 PolarHBondContact O-N 3Å; P222-L227 HydrophobicContact CB-CD1 3.8Å; P222-L227 HydrophobicContact CG-CD1 3.75Å
223	D	97	Very high	93.2	Very high	11 Å²	11	57.2 Å²	57.2	6%	0.059	31%	0.313	C	S	.	.			trans	-72.7	88.5	174.1	-168.8	-24.6	0	0	0	110.8	I169 R176 F177 G225 Y226 L227	I169-D223 HydrophobicContact CG2-CB 4.34Å; R176-D223 WeakPolarHBondContact CA-OD2 3.2Å; F177-D223 HydrophobicContact CD2-CB 4.25Å; F177-D223 PolarHBondContact N-OD2 3.19Å; D223-G225 PolarHBondContact O-N 3.25Å; D223-G225 PolarHBondContact OD1-N 3.37Å; D223-Y226 PolarHBondContact O-N 2.91Å; D223-Y226 PolarHBondContact OD1-N 3.08Å; D223-L227 WeakPolarHBondContact O-CB 3.45Å; D223-L227 WeakPolarHBondContact O-CG 3.49Å; D223-L227 PolarHBondContact O-N 2.85Å
224	G	97	Very high	93.8	Very high	47 Å²	47	52.4 Å²	52.4	49%	0.485	29%	0.292	S	S	.	.	H	α-helix	trans	-59.5	-31.8	-179.4	0	0	0	0	0	113.9	P222 Q228	P222-G224 PolarHBondContact O-N 3Å; G224-Q228 WeakPolarHBondContact O-CB 3.28Å; G224-Q228 PolarHBondContact O-N 3.05Å
225	G	96.9	Very high	94.8	Very high	15 Å²	15	49.5 Å²	49.5	16%	0.155	28%	0.279	C	S	.	.	H	α-helix	trans	-69.1	-45.4	177.3	0	0	0	0	0	111.3	G75 D223 Q228 G229	G75-G225 WeakPolarHBondContact CA-O 3.48Å; D223-G225 PolarHBondContact O-N 3.25Å; D223-G225 PolarHBondContact OD1-N 3.37Å; G225-Q228 PolarHBondContact O-N 2.67Å; G225-G229 PolarHBondContact O-N 2.82Å
226	Y	98	Very high	95.6	Very high	1 Å²	1	40.8 Å²	40.8	0%	0.004	24%	0.238	C	C	.	.	H	α-helix	trans	-65.3	-43.7	175.9	-158.4	-72.3	0	0	0	111.6	M74 L165 I169 F177 S180 M202 D223 Q228 G229 V230	M74-Y226 HydrophobicContact CB-CD2 3.53Å; M74-Y226 HydrophobicContact CB-CE1 4.32Å; M74-Y226 HydrophobicContact CB-CE2 3.26Å; M74-Y226 HydrophobicContact CB-CG 4.18Å; M74-Y226 HydrophobicContact CE-CE1 4.29Å; M74-Y226 HydrophobicContact CG-CD2 4.36Å; M74-Y226 HydrophobicContact CG-CE1 4.25Å; M74-Y226 HydrophobicContact CG-CE2 3.65Å; L165-Y226 HydrophobicContact CD2-CE1 4.1Å; I169-Y226 HydrophobicContact CD1-CD1 3.15Å; I169-Y226 HydrophobicContact CD1-CE1 3.34Å; I169-Y226 HydrophobicContact CD1-CG 4.03Å; F177-Y226 HydrophobicContact CB-CD2 3.74Å; F177-Y226 HydrophobicContact CB-CE2 4.05Å; F177-Y226 HydrophobicContact CD2-CD2 4.34Å; F177-Y226 HydrophobicContact CD2-CG 4.47Å; F177-Y226 HydrophobicContact CG-CD2 4.43Å; S180-Y226 VanDerWaalsContact OG-CE2 3.25Å; S180-Y226 WeakPolarHBondContact OG-CE2 3.34Å; M202-Y226 HydrophobicContact CE-CD2 4.42Å; M202-Y226 HydrophobicContact CE-CE1 4.09Å; M202-Y226 HydrophobicContact CE-CE2 3.7Å; M202-Y226 WeakPolarHBondContact CG-OH 3.33Å; D223-Y226 PolarHBondContact O-N 2.91Å; D223-Y226 PolarHBondContact OD1-N 3.08Å; Y226-Q228 VanDerWaalsContact C-N 3.32Å; Y226-Q228 PolarHBondContact O-N 3.29Å; Y226-G229 PolarHBondContact O-N 3.26Å; Y226-V230 HydrophobicContact CD1-CG2 3.65Å; Y226-V230 HydrophobicContact CE1-CG2 3.58Å; Y226-V230 PolarHBondContact O-N 2.85Å
227	L	98.3	Very high	96.3	Very high	19 Å²	19	38.6 Å²	38.6	10%	0.099	23%	0.226	C	C	.	.	H	α-helix	trans	-58.7	-41.3	176.2	-76.7	173.8	0	0	0	112.3	I169 P222 D223 G229 V230 N231	I169-L227 HydrophobicContact CB-CD2 3.85Å; I169-L227 HydrophobicContact CB-CG 4.39Å; I169-L227 HydrophobicContact CG2-CD1 4.35Å; I169-L227 HydrophobicContact CG2-CD2 3.74Å; I169-L227 HydrophobicContact CG2-CG 3.7Å; P222-L227 HydrophobicContact CB-CD1 3.8Å; P222-L227 HydrophobicContact CG-CD1 3.75Å; D223-L227 WeakPolarHBondContact O-CB 3.45Å; D223-L227 WeakPolarHBondContact O-CG 3.49Å; D223-L227 PolarHBondContact O-N 2.85Å; L227-G229 VanDerWaalsContact C-N 3.3Å; L227-G229 PolarHBondContact O-N 3.3Å; L227-V230 PolarHBondContact O-N 3.37Å; L227-N231 WeakPolarHBondContact O-CB 3.5Å; L227-N231 VanDerWaalsContact O-CG 3.31Å; L227-N231 PolarHBondContact O-N 2.66Å; L227-N231 PolarHBondContact O-ND2 2.81Å
228	Q	98.4	Very high	96.8	Very high	82 Å²	82	41.7 Å²	41.7	38%	0.383	23%	0.229	S	C	.	.	H	α-helix	trans	-57.3	-45	173.6	-174.4	-176.4	-5.1	0	0	111.1	A104 G224 G225 Y226 N231 S232	A104-Q228 HydrophobicContact CB-CB 3.82Å; A104-Q228 HydrophobicContact CB-CG 3.73Å; G224-Q228 WeakPolarHBondContact O-CB 3.28Å; G224-Q228 PolarHBondContact O-N 3.05Å; G225-Q228 PolarHBondContact O-N 2.67Å; Y226-Q228 VanDerWaalsContact C-N 3.32Å; Y226-Q228 PolarHBondContact O-N 3.29Å; Q228-N231 PolarHBondContact O-N 2.95Å; Q228-S232 PolarHBondContact O-N 2.66Å; Q228-S232 PolarHBondContact O-OG 3.17Å
229	G	98.5	Very high	97.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.9	-41.9	178.1	0	0	0	0	0	112.9	A104 G225 Y226 L227 S232 L233	A104-G229 WeakPolarHBondContact O-CA 3.49Å; G225-G229 PolarHBondContact O-N 2.82Å; Y226-G229 PolarHBondContact O-N 3.26Å; L227-G229 VanDerWaalsContact C-N 3.3Å; L227-G229 PolarHBondContact O-N 3.3Å; G229-S232 PolarHBondContact O-N 3.01Å; G229-L233 WeakPolarHBondContact O-CG 3.35Å; G229-L233 PolarHBondContact O-N 3.3Å; G229-L233 VanDerWaalsContact O-N 3.08Å
230	V	98.7	Very high	97.4	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-62.2	-44.5	175.2	174	0	0	0	0	110.8	M74 L162 L165 N166 Y226 L227 L233 I234	M74-V230 HydrophobicContact CE-CG2 4.03Å; L162-V230 HydrophobicContact CB-CG1 4.31Å; L162-V230 HydrophobicContact CD2-CG1 4.31Å; L162-V230 WeakPolarHBondContact O-CG1 3.48Å; L165-V230 HydrophobicContact CD2-CG2 4.08Å; L165-V230 HydrophobicContact CG-CG2 4.43Å; N166-V230 HydrophobicContact CB-CG1 3.89Å; Y226-V230 HydrophobicContact CD1-CG2 3.65Å; Y226-V230 HydrophobicContact CE1-CG2 3.58Å; Y226-V230 PolarHBondContact O-N 2.85Å; L227-V230 PolarHBondContact O-N 3.37Å; V230-L233 PolarHBondContact O-N 3.31Å; V230-I234 HydrophobicContact CG1-CD1 3.94Å; V230-I234 HydrophobicContact CG1-CG1 4.5Å; V230-I234 WeakPolarHBondContact O-CG1 3.41Å; V230-I234 PolarHBondContact O-N 3.1Å
231	N	98.7	Very high	97.7	Very high	71 Å²	71	35.6 Å²	35.6	38%	0.38	19%	0.194	S	C	.	.	H	α-helix	trans	-62.3	-43	177.5	-74.6	-31.8	0	0	0	112.4	N166 L227 Q228 L233 I234 Q235	N166-N231 PolarHBondContact ND2-OD1 3.24Å; L227-N231 WeakPolarHBondContact O-CB 3.5Å; L227-N231 VanDerWaalsContact O-CG 3.31Å; L227-N231 PolarHBondContact O-N 2.66Å; L227-N231 PolarHBondContact O-ND2 2.81Å; Q228-N231 PolarHBondContact O-N 2.95Å; N231-L233 VanDerWaalsContact C-N 3.33Å; N231-L233 PolarHBondContact O-N 3.15Å; N231-I234 PolarHBondContact O-N 3.41Å; N231-Q235 WeakPolarHBondContact O-CG 3.48Å; N231-Q235 PolarHBondContact O-N 2.9Å
232	S	98.7	Very high	97.7	Very high	15 Å²	15	36.1 Å²	36.1	11%	0.105	20%	0.199	C	C	.	.	H	α-helix	trans	-57.8	-46.1	174.1	-58.6	0	0	0	0	111.3	I103 Q228 G229 I234 Q235 I236	I103-S232 VanDerWaalsContact O-CB 3.3Å; I103-S232 WeakPolarHBondContact O-CB 3.28Å; I103-S232 PolarHBondContact O-OG 3.3Å; Q228-S232 PolarHBondContact O-N 2.66Å; Q228-S232 PolarHBondContact O-OG 3.17Å; G229-S232 PolarHBondContact O-N 3.01Å; S232-I234 PolarHBondContact O-N 3.45Å; S232-Q235 PolarHBondContact O-N 3.43Å; S232-I236 VanDerWaalsContact O-CG1 3.29Å; S232-I236 WeakPolarHBondContact O-CG1 3.47Å; S232-I236 PolarHBondContact O-N 3.34Å
233	L	98.7	Very high	97.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.6	-43.7	176.9	-68.7	172.8	0	0	0	111.8	L72 M74 V105 F136 L162 L182 G229 V230 N231 Q235 I236 M237	L72-L233 HydrophobicContact CD1-CD1 3.79Å; L72-L233 HydrophobicContact CD1-CD2 3.78Å; L72-L233 HydrophobicContact CD1-CG 4.46Å; M74-L233 HydrophobicContact CE-CD1 3.72Å; M74-L233 HydrophobicContact SD-CD1 4.07Å; V105-L233 HydrophobicContact CG1-CD2 4.26Å; V105-L233 HydrophobicContact CG1-CG 4.41Å; V105-L233 HydrophobicContact CG2-CD1 4.35Å; V105-L233 HydrophobicContact CG2-CD2 4.26Å; V105-L233 HydrophobicContact CG2-CG 4.42Å; F136-L233 HydrophobicContact CE1-CD2 4.15Å; F136-L233 HydrophobicContact CZ-CD2 4.06Å; L162-L233 HydrophobicContact CD1-CB 3.65Å; L162-L233 HydrophobicContact CD2-CB 4.31Å; L162-L233 HydrophobicContact CD2-CD1 4.08Å; L182-L233 HydrophobicContact CD2-CD1 4.04Å; G229-L233 WeakPolarHBondContact O-CG 3.35Å; G229-L233 PolarHBondContact O-N 3.3Å; G229-L233 VanDerWaalsContact O-N 3.08Å; V230-L233 PolarHBondContact O-N 3.31Å; N231-L233 VanDerWaalsContact C-N 3.33Å; N231-L233 PolarHBondContact O-N 3.15Å; L233-Q235 VanDerWaalsContact C-N 3.29Å; L233-Q235 PolarHBondContact O-N 3.25Å; L233-I236 PolarHBondContact O-N 2.93Å; L233-M237 VanDerWaalsContact O-CG 3.25Å; L233-M237 WeakPolarHBondContact O-CG 3.46Å; L233-M237 PolarHBondContact O-N 3.04Å
234	I	98.7	Very high	96.6	Very high	7 Å²	7	41.5 Å²	41.5	4%	0.036	22%	0.219	C	C	.	.	H	α-helix	trans	-57.5	-43.7	175.9	-68.7	166.4	0	0	0	111	L162 E163 N166 V230 N231 S232 M237 R238	L162-I234 HydrophobicContact CB-CD1 4.11Å; L162-I234 HydrophobicContact CB-CG1 3.58Å; L162-I234 HydrophobicContact CD1-CG1 4.26Å; E163-I234 HydrophobicContact CG-CD1 3.94Å; E163-I234 HydrophobicContact CG-CG1 4.36Å; E163-I234 HydrophobicContact CG-CG2 4.49Å; N166-I234 HydrophobicContact CB-CD1 4.45Å; V230-I234 HydrophobicContact CG1-CD1 3.94Å; V230-I234 HydrophobicContact CG1-CG1 4.5Å; V230-I234 WeakPolarHBondContact O-CG1 3.41Å; V230-I234 PolarHBondContact O-N 3.1Å; N231-I234 PolarHBondContact O-N 3.41Å; S232-I234 PolarHBondContact O-N 3.45Å; I234-M237 PolarHBondContact O-N 3.21Å; I234-R238 VanDerWaalsContact CG2-CZ 3.45Å; I234-R238 VanDerWaalsContact O-CG 3.31Å; I234-R238 WeakPolarHBondContact O-CG 3.43Å; I234-R238 PolarHBondContact O-N 2.9Å
235	Q	98.5	Very high	95.4	Very high	129 Å²	129	43.3 Å²	43.3	60%	0.603	22%	0.223	S	C	*	.	H	α-helix	trans	-62.9	-44.6	177.3	-72.8	177	-11.6	0	0	111.9	N231 S232 L233 M237 R238 H239	N231-Q235 WeakPolarHBondContact O-CG 3.48Å; N231-Q235 PolarHBondContact O-N 2.9Å; S232-Q235 PolarHBondContact O-N 3.43Å; L233-Q235 VanDerWaalsContact C-N 3.29Å; L233-Q235 PolarHBondContact O-N 3.25Å; Q235-M237 PolarHBondContact O-N 3.24Å; Q235-R238 PolarHBondContact O-N 2.78Å; Q235-H239 PolarHBondContact O-N 3.22Å
236	I	98.3	Very high	93.8	Very high	12 Å²	12	47 Å²	47	6%	0.062	25%	0.245	C	C	.	.	H	α-helix	trans	-60.5	-46.8	175.9	-67.1	168.1	0	0	0	110.7	I103 F136 E137 I140 S232 L233 R238 H239 I240	I103-I236 HydrophobicContact CD1-CD1 4.47Å; F136-I236 HydrophobicContact CD1-CD1 3.96Å; F136-I236 HydrophobicContact CE1-CD1 3.71Å; E137-I236 HydrophobicContact CG-CD1 4.03Å; E137-I236 HydrophobicContact CG-CG1 4.01Å; E137-I236 HydrophobicContact CG-CG2 4.39Å; I140-I236 HydrophobicContact CB-CG2 4.38Å; I140-I236 HydrophobicContact CG1-CG2 4.47Å; I140-I236 HydrophobicContact CG2-CG2 4.19Å; S232-I236 VanDerWaalsContact O-CG1 3.29Å; S232-I236 WeakPolarHBondContact O-CG1 3.47Å; S232-I236 PolarHBondContact O-N 3.34Å; L233-I236 PolarHBondContact O-N 2.93Å; I236-R238 VanDerWaalsContact C-N 3.31Å; I236-R238 PolarHBondContact O-N 2.77Å; I236-H239 WeakPolarHBondContact O-CB 3.48Å; I236-H239 PolarHBondContact O-N 3.41Å; I236-I240 HydrophobicContact CG2-CD1 3.77Å; I236-I240 HydrophobicContact CG2-CG1 4.45Å; I236-I240 WeakPolarHBondContact O-CG1 3.41Å; I236-I240 PolarHBondContact O-N 3.31Å
237	M	98.2	Very high	92	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-61.1	-40.5	177.3	-61.1	-57.7	165.5	0	0	111.5	I140 F144 I155 V158 K159 L162 L233 I234 Q235 L241	I140-M237 HydrophobicContact CG2-CE 4.02Å; I140-M237 HydrophobicContact CG2-SD 4.4Å; F144-M237 HydrophobicContact CE2-CE 4.06Å; F144-M237 HydrophobicContact CE2-SD 4.15Å; F144-M237 HydrophobicContact CZ-CE 4.47Å; I155-M237 HydrophobicContact CG2-CB 4.04Å; I155-M237 HydrophobicContact CG2-CG 4.41Å; I155-M237 HydrophobicContact CG2-SD 3.74Å; V158-M237 HydrophobicContact CG1-CE 3.73Å; V158-M237 HydrophobicContact CG1-SD 4.36Å; K159-M237 HydrophobicContact CB-CB 3.97Å; K159-M237 HydrophobicContact CB-CG 4.4Å; K159-M237 HydrophobicContact CG-CB 4.23Å; L162-M237 HydrophobicContact CD1-CE 4.45Å; L162-M237 HydrophobicContact CD1-CG 4.14Å; L233-M237 VanDerWaalsContact O-CG 3.25Å; L233-M237 WeakPolarHBondContact O-CG 3.46Å; L233-M237 PolarHBondContact O-N 3.04Å; I234-M237 PolarHBondContact O-N 3.21Å; Q235-M237 PolarHBondContact O-N 3.24Å; M237-L241 WeakPolarHBondContact O-CB 3.41Å; M237-L241 VanDerWaalsContact O-CG 3.23Å; M237-L241 WeakPolarHBondContact O-CG 3.42Å; M237-L241 PolarHBondContact O-N 2.83Å; M237-L241 VanDerWaalsContact O-N 3.11Å
238	R	98	Very high	89.8	Confident	133 Å²	133	58.6 Å²	58.6	50%	0.502	31%	0.309	S	S	.	.	H	α-helix	trans	-63.6	-42.7	175.9	-74.7	174.9	-176.9	164.7	3.1	111.9	K159 E163 I234 Q235 I236 L241 G242	K159-R238 HydrophobicContact CD-CG 3.89Å; E163-R238 IonicContact OE1-CZ 3.41Å; E163-R238 IonicContact OE1-NE 3.26Å; E163-R238 IonicContact OE1-NH2 2.71Å; E163-R238 PolarHBondContact OE1-NH2 2.87Å; I234-R238 VanDerWaalsContact CG2-CZ 3.45Å; I234-R238 VanDerWaalsContact O-CG 3.31Å; I234-R238 WeakPolarHBondContact O-CG 3.43Å; I234-R238 PolarHBondContact O-N 2.9Å; Q235-R238 PolarHBondContact O-N 2.78Å; I236-R238 VanDerWaalsContact C-N 3.31Å; I236-R238 PolarHBondContact O-N 2.77Å; R238-L241 PolarHBondContact O-N 3.03Å; R238-G242 PolarHBondContact O-N 3.35Å
239	H	96.9	Very high	87.1	Confident	102 Å²	102	62.9 Å²	62.9	47%	0.472	34%	0.341	S	S	.	.	H	α-helix	trans	-60.6	-51.5	177.9	-175.5	-100.7	0	0	0	111.5	Q235 I236 L241 G242 E243	Q235-H239 PolarHBondContact O-N 3.22Å; I236-H239 WeakPolarHBondContact O-CB 3.48Å; I236-H239 PolarHBondContact O-N 3.41Å; H239-L241 VanDerWaalsContact C-N 3.31Å; H239-L241 PolarHBondContact O-N 3.4Å; H239-G242 PolarHBondContact O-N 2.91Å; H239-G242 VanDerWaalsContact O-N 3.08Å; H239-E243 IonicContact CE1-OE1 3.2Å; H239-E243 PolarHBondContact CE1-OE1 2.68Å; H239-E243 IonicContact CE1-OE2 3.79Å; H239-E243 IonicContact ND1-OE1 2.67Å; H239-E243 IonicContact ND1-OE2 3.77Å; H239-E243 IonicContact NE2-OE1 2.85Å; H239-E243 PolarHBondContact O-N 3.46Å
240	I	95.9	Very high	86.5	Confident	4 Å²	4	66.1 Å²	66.1	2%	0.021	36%	0.358	C	S	.	.	H	α-helix	trans	-60.6	-41.1	-179.7	-61	164.7	0	0	0	111.4	I140 V141 I155 I236 K244	I140-I240 HydrophobicContact CB-CD1 4.46Å; I140-I240 HydrophobicContact CG2-CD1 3.85Å; V141-I240 HydrophobicContact CG2-CD1 3.68Å; V141-I240 HydrophobicContact CG2-CG1 3.77Å; V141-I240 HydrophobicContact CG2-CG2 4.27Å; I155-I240 HydrophobicContact CD1-CB 4.47Å; I155-I240 HydrophobicContact CD1-CG2 3.6Å; I236-I240 HydrophobicContact CG2-CD1 3.77Å; I236-I240 HydrophobicContact CG2-CG1 4.45Å; I236-I240 WeakPolarHBondContact O-CG1 3.41Å; I236-I240 PolarHBondContact O-N 3.31Å; I240-K244 WeakPolarHBondContact O-CG 3.42Å; I240-K244 PolarHBondContact O-N 3.16Å
241	L	96.7	Very high	85.8	Confident	31 Å²	31	69.5 Å²	69.5	16%	0.162	38%	0.377	C	S	.	.	H	α-helix	trans	-65.8	-39.4	176.2	-70.2	171.2	0	0	0	112	T152 I155 K159 M237 R238 H239 K244 C245	T152-L241 HydrophobicContact CG2-CD2 4.46Å; I155-L241 HydrophobicContact CB-CD2 4.15Å; I155-L241 HydrophobicContact CG2-CD1 4.09Å; I155-L241 HydrophobicContact CG2-CD2 3.87Å; I155-L241 HydrophobicContact CG2-CG 3.7Å; K159-L241 HydrophobicContact CD-CD1 4.25Å; M237-L241 WeakPolarHBondContact O-CB 3.41Å; M237-L241 VanDerWaalsContact O-CG 3.23Å; M237-L241 WeakPolarHBondContact O-CG 3.42Å; M237-L241 PolarHBondContact O-N 2.83Å; M237-L241 VanDerWaalsContact O-N 3.11Å; R238-L241 PolarHBondContact O-N 3.03Å; H239-L241 VanDerWaalsContact C-N 3.31Å; H239-L241 PolarHBondContact O-N 3.4Å; L241-K244 PolarHBondContact O-N 3.06Å; L241-C245 PolarHBondContact O-N 3.2Å; L241-C245 VanDerWaalsContact O-N 3.14Å; L241-C245 PolarHBondContact O-SG 2.73Å
242	G	95.4	Very high	85.1	Confident	34 Å²	34	69.4 Å²	69.4	35%	0.351	38%	0.377	S	S	.	.	H	α-helix	trans	-64.6	-46.8	178.8	0	0	0	0	0	113	R238 H239 K244 C245 C246	R238-G242 PolarHBondContact O-N 3.35Å; H239-G242 PolarHBondContact O-N 2.91Å; H239-G242 VanDerWaalsContact O-N 3.08Å; G242-K244 VanDerWaalsContact C-N 3.27Å; G242-K244 PolarHBondContact O-N 3.38Å; G242-C245 PolarHBondContact O-N 3.19Å; G242-C246 PolarHBondContact O-N 3.43Å; G242-C246 PolarHBondContact O-SG 3.35Å
243	E	89.6	Confident	84.3	Confident	98 Å²	98	72.6 Å²	72.6	46%	0.458	39%	0.393	S	S	.	.	H	α-helix	trans	-59.1	-39.2	177.3	-69.5	-175.6	146.3	0	0	112	H239 C246 C247	H239-E243 IonicContact CE1-OE1 3.2Å; H239-E243 PolarHBondContact CE1-OE1 2.68Å; H239-E243 IonicContact CE1-OE2 3.79Å; H239-E243 IonicContact ND1-OE1 2.67Å; H239-E243 IonicContact ND1-OE2 3.77Å; H239-E243 IonicContact NE2-OE1 2.85Å; H239-E243 PolarHBondContact O-N 3.46Å; E243-C246 PolarHBondContact O-N 3.45Å; E243-C247 PolarHBondContact O-N 3.35Å; E243-C247 PolarHBondContact O-SG 2.93Å
244	K	79.6	Confident	83.4	Confident	72 Å²	72	77.2 Å²	77.2	31%	0.313	42%	0.417	S	S	.	.	H	α-helix	trans	-75.9	-28.7	-178.7	-66.3	-60.9	177.9	-169.4	0	114	T152 I240 L241 G242 C246 Q248	T152-K244 HydrophobicContact CG2-CB 4.09Å; T152-K244 HydrophobicContact CG2-CG 4.03Å; I240-K244 WeakPolarHBondContact O-CG 3.42Å; I240-K244 PolarHBondContact O-N 3.16Å; L241-K244 PolarHBondContact O-N 3.06Å; G242-K244 VanDerWaalsContact C-N 3.27Å; G242-K244 PolarHBondContact O-N 3.38Å; K244-C246 VanDerWaalsContact C-N 3.35Å; K244-Q248 WeakPolarHBondContact O-CG 2.93Å
245	C	72.5	Confident	82.4	Confident	85 Å²	85	81.9 Å²	81.9	57%	0.574	44%	0.443	S	S	*	.	H	α-helix	trans	-65.1	-40.4	169.8	-74.5	0	0	0	0	111.4	L241 G242 C247 Q248	L241-C245 PolarHBondContact O-N 3.2Å; L241-C245 VanDerWaalsContact O-N 3.14Å; L241-C245 PolarHBondContact O-SG 2.73Å; G242-C245 PolarHBondContact O-N 3.19Å; C245-C247 VanDerWaalsContact C-N 3.35Å; C245-C247 PolarHBondContact O-N 3.25Å; C245-Q248 PolarHBondContact O-N 2.84Å
246	C	62.9	Low	81.3	Confident	93 Å²	93	78.5 Å²	78.5	63%	0.628	43%	0.431	S	S	*	.	H	α-helix	trans	-70.9	-26.1	179	-63.5	0	0	0	0	113.7	G242 E243 K244 Q248 T249	G242-C246 PolarHBondContact O-N 3.43Å; G242-C246 PolarHBondContact O-SG 3.35Å; E243-C246 PolarHBondContact O-N 3.45Å; K244-C246 VanDerWaalsContact C-N 3.35Å; C246-Q248 VanDerWaalsContact C-N 3.28Å; C246-Q248 PolarHBondContact O-N 3.49Å; C246-T249 PolarHBondContact O-OG1 2.87Å
247	C	61.9	Low	80	Confident	100 Å²	100	83.6 Å²	83.6	68%	0.676	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-2.4	176	-63.4	0	0	0	0	114.3	E243 C245	E243-C247 PolarHBondContact O-N 3.35Å; E243-C247 PolarHBondContact O-SG 2.93Å; C245-C247 VanDerWaalsContact C-N 3.35Å; C245-C247 PolarHBondContact O-N 3.25Å
248	Q	51.2	Low	78.4	Confident	162 Å²	162	90.6 Å²	90.6	76%	0.757	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.7	6.2	-179	-69.2	-177.7	-11	0	0	113.2	K244 C245 C246	K244-Q248 WeakPolarHBondContact O-CG 2.93Å; C245-Q248 PolarHBondContact O-N 2.84Å; C246-Q248 VanDerWaalsContact C-N 3.28Å; C246-Q248 PolarHBondContact O-N 3.49Å
249	T	40.9	Very low	76.7	Confident	173 Å²	173	86.7 Å²	86.7	100%	1.061	50%	0.498	S	S	*	.			trans	-114	0	171.3	50	0	0	0	0	110.1	C246	C246-T249 PolarHBondContact O-OG1 2.87Å

Retrieved 249 of 249 residues in 167.9 ms (Link to these results)

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