G4LZ25_SCHMA Loading...

Adrenodoxin, putative

AlphaFold DB , UniProt , Accession G4LZ25, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 158 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45	Very low	43	Very low	243 Å²	243	162.2 Å²	162.2	100%	1.197	84%	0.836	S	S	*	*				0	86.5	0	-70.9	173.9	152.6	0	0	108.1
2	S	42.2	Very low	42.5	Very low	117 Å²	117	161.3 Å²	161.3	82%	0.818	83%	0.825	S	S	*	*			trans	-124.5	88.4	178.5	-69.6	0	0	0	0	108.9	V4	S2-V4 PolarHBondContact O-N 2.84Å
3	H	46.2	Very low	42.6	Very low	178 Å²	178	161.2 Å²	161.2	82%	0.824	82%	0.819	S	S	*	*			trans	-74.9	101.5	168.9	-110.4	-100.5	0	0	0	108	L5	H3-L5 PolarHBondContact O-N 2.95Å
4	V	49.8	Very low	42.4	Very low	123 Å²	123	161.1 Å²	161.1	75%	0.745	82%	0.82	S	S	*	*			trans	-82.5	97.1	169.4	178.3	0	0	0	0	107.3	S2 R6	S2-V4 PolarHBondContact O-N 2.84Å; V4-R6 PolarHBondContact O-N 3.18Å
5	L	42	Very low	42.1	Very low	144 Å²	144	159.7 Å²	159.7	75%	0.754	82%	0.815	S	S	*	*			trans	-72.6	109.9	171.4	-69	167.2	0	0	0	108.8	H3 N7	H3-L5 PolarHBondContact O-N 2.95Å; L5-N7 PolarHBondContact O-N 3.43Å
6	R	41.4	Very low	42.1	Very low	225 Å²	225	156.5 Å²	156.5	85%	0.849	81%	0.811	S	S	*	*			trans	-84.3	107.6	170.1	-76.9	-175.8	176.9	-137.7	0.6	109	V4 V8	V4-R6 PolarHBondContact O-N 3.18Å; R6-V8 PolarHBondContact O-N 3.12Å
7	N	38.1	Very low	42.1	Very low	160 Å²	160	159.1 Å²	159.1	86%	0.856	82%	0.815	S	S	*	*			trans	-68.6	117.8	165.5	-76.7	-27.7	0	0	0	109	L5	L5-N7 PolarHBondContact O-N 3.43Å
8	V	45.4	Very low	42	Very low	125 Å²	125	163.8 Å²	163.8	76%	0.758	82%	0.821	S	S	*	*			trans	-101.3	111.7	171.2	179.1	0	0	0	0	107.3	R6	R6-V8 PolarHBondContact O-N 3.12Å
9	Q	45.2	Very low	41.6	Very low	180 Å²	180	166.8 Å²	166.8	84%	0.841	82%	0.822	S	S	*	*			trans	-74.8	123.5	176.5	-82.5	177.9	-74.1	0	0	110.7
10	F	34.8	Very low	41.6	Very low	179 Å²	179	169.2 Å²	169.2	79%	0.785	82%	0.823	S	S	*	*			trans	-76.6	112.9	168.5	-114.6	-107.2	0	0	0	109	H12	F10-H12 AromaticContact CD1-CD2 3.73Å; F10-H12 AromaticContact CD1-NE2 3.74Å; F10-H12 AromaticContact CE1-NE2 3.85Å
11	S	42.9	Very low	41.6	Very low	110 Å²	110	169.7 Å²	169.7	77%	0.769	83%	0.828	S	S	*	*			trans	-115.7	100.5	165.2	-72.6	0	0	0	0	109.7	H13	S11-H13 PolarHBondContact O-N 3.25Å; S11-H13 VanDerWaalsContact O-N 3.1Å
12	H	37.4	Very low	41.3	Very low	151 Å²	151	166.5 Å²	166.5	70%	0.699	81%	0.808	S	S	*	*			trans	-64.8	97.5	162.8	-84.7	-123.1	0	0	0	108.7	F10	F10-H12 AromaticContact CD1-CD2 3.73Å; F10-H12 AromaticContact CD1-NE2 3.74Å; F10-H12 AromaticContact CE1-NE2 3.85Å
13	H	43.8	Very low	41.1	Very low	161 Å²	161	166 Å²	166	75%	0.745	80%	0.802	S	S	*	*			trans	-111.3	89.5	161.6	-151.8	-75	0	0	0	108.8	S11 N15	S11-H13 PolarHBondContact O-N 3.25Å; S11-H13 VanDerWaalsContact O-N 3.1Å; H13-N15 VanDerWaalsContact C-N 3.27Å; H13-N15 PolarHBondContact O-N 3.22Å
14	L	39.4	Very low	41.2	Very low	159 Å²	159	164.8 Å²	164.8	83%	0.832	80%	0.801	S	S	*	*			trans	-61.7	86.6	169	-67.8	164.6	0	0	0	108.4	S16	L14-S16 PolarHBondContact O-N 3.35Å
15	N	37.6	Very low	40.9	Very low	141 Å²	141	167.6 Å²	167.6	75%	0.754	80%	0.803	S	S	*	*			trans	-91.1	107.5	170.9	-139	0.1	0	0	0	109.3	H13 F17	H13-N15 VanDerWaalsContact C-N 3.27Å; H13-N15 PolarHBondContact O-N 3.22Å; N15-F17 PolarHBondContact O-N 3.19Å
16	S	42	Very low	41.3	Very low	108 Å²	108	167.4 Å²	167.4	76%	0.755	80%	0.802	S	S	*	*			trans	-49.5	128.1	-177.7	177.4	0	0	0	0	112.6	L14 R18	L14-S16 PolarHBondContact O-N 3.35Å; S16-R18 PolarHBondContact O-N 2.99Å
17	F	43	Very low	41.1	Very low	200 Å²	200	163.8 Å²	163.8	88%	0.877	80%	0.8	S	S	*	*			trans	-51.8	94.9	176.5	-127.5	-110.5	0	0	0	111.7	N15 R19	N15-F17 PolarHBondContact O-N 3.19Å; F17-R19 PolarHBondContact O-N 2.94Å
18	R	40.3	Very low	41.5	Very low	245 Å²	245	163.4 Å²	163.4	93%	0.925	79%	0.792	S	S	*	*			trans	-81.4	107.1	171.9	-158	175.8	-174	-171.1	1.7	109.5	S16	S16-R18 PolarHBondContact O-N 2.99Å
19	R	34.3	Very low	41.5	Very low	220 Å²	220	162.2 Å²	162.2	83%	0.83	79%	0.79	S	S	*	*			trans	-49.5	155.2	167.2	-70.3	174.7	-177.4	165.3	0.7	111.8	F17	F17-R19 PolarHBondContact O-N 2.94Å
20	Y	40.7	Very low	41.5	Very low	215 Å²	215	163.7 Å²	163.7	84%	0.843	79%	0.788	S	S	*	*			trans	122.5	73.5	161.8	-78.1	-80.9	0	0	0	113.7
21	L	41.8	Very low	41.8	Very low	179 Å²	179	164.6 Å²	164.6	94%	0.937	79%	0.791	S	S	*	*			trans	-107.3	106.6	151.6	-79.6	165.2	0	0	0	107.6
22	K	39.4	Very low	42	Very low	176 Å²	176	167.5 Å²	167.5	77%	0.765	79%	0.79	S	S	*	*			trans	-62.1	140.3	175.2	-71.9	179.5	174.2	-177.6	0	109.2	L24	K22-L24 PolarHBondContact O-N 2.65Å
23	P	38.4	Very low	42.5	Very low	108 Å²	108	166.1 Å²	166.1	70%	0.701	79%	0.788	S	S	*	*			trans	-68.8	102.9	174.3	28.6	-33.1	0	0	0	109	F25	P23-F25 PolarHBondContact O-N 3.32Å; P23-F25 VanDerWaalsContact O-N 3.15Å
24	L	48.3	Very low	42.7	Very low	151 Å²	151	167.1 Å²	167.1	79%	0.791	79%	0.793	S	S	*	*			trans	-76.2	98	166.6	-102.8	155	0	0	0	107.3	K22 L26	K22-L24 PolarHBondContact O-N 2.65Å; L24-L26 HydrophobicContact CD2-CD1 4.44Å; L24-L26 PolarHBondContact O-N 3.43Å
25	F	43.5	Very low	43	Very low	183 Å²	183	165.1 Å²	165.1	80%	0.803	78%	0.783	S	S	*	*			trans	-57.1	86	161.4	-82.8	-98.5	0	0	0	108.6	P23 N27	P23-F25 PolarHBondContact O-N 3.32Å; P23-F25 VanDerWaalsContact O-N 3.15Å; F25-N27 PolarHBondContact O-N 3.21Å
26	L	49.7	Very low	43.5	Very low	139 Å²	139	164.1 Å²	164.1	73%	0.728	79%	0.788	S	S	*	*			trans	-90.5	96.4	172.7	-140.1	81.3	0	0	0	108	L24 H28	L24-L26 HydrophobicContact CD2-CD1 4.44Å; L24-L26 PolarHBondContact O-N 3.43Å; L26-H28 VanDerWaalsContact C-N 3.32Å; L26-H28 PolarHBondContact O-N 2.86Å
27	N	37	Very low	44	Very low	150 Å²	150	162.2 Å²	162.2	80%	0.802	77%	0.771	S	S	*	*			trans	-54.3	92.8	166.9	-80.3	-36.9	0	0	0	109.6	F25 S29	F25-N27 PolarHBondContact O-N 3.21Å; N27-S29 PolarHBondContact O-N 2.93Å
28	H	46.3	Very low	44.5	Very low	151 Å²	151	156.7 Å²	156.7	70%	0.699	76%	0.756	S	S	*	*			trans	-84.6	72.1	173.9	-158.6	68	0	0	0	109.4	L26 R30	L26-H28 VanDerWaalsContact C-N 3.32Å; L26-H28 PolarHBondContact O-N 2.86Å; H28-R30 PolarHBondContact O-N 3.27Å; H28-R30 VanDerWaalsContact O-N 3.11Å
29	S	46.1	Very low	45.4	Very low	101 Å²	101	149 Å²	149	71%	0.706	75%	0.745	S	S	*	*			trans	-70.7	98.8	164.4	-72.5	0	0	0	0	108.3	N27 K31	N27-S29 PolarHBondContact O-N 2.93Å; S29-K31 PolarHBondContact O-N 2.92Å
30	R	45.3	Very low	47.1	Very low	211 Å²	211	142.2 Å²	142.2	80%	0.796	73%	0.731	S	S	*	*			trans	-60.3	97.3	168.4	-76.8	-179.2	177	166.1	-2.1	108.5	H28 F32	H28-R30 PolarHBondContact O-N 3.27Å; H28-R30 VanDerWaalsContact O-N 3.11Å; R30-F32 PolarHBondContact O-N 3.04Å
31	K	40	Very low	49.4	Very low	198 Å²	198	133.5 Å²	133.5	86%	0.861	70%	0.7	S	S	*	*			trans	-70.9	108.8	170.7	-72.5	-175.8	176.9	-177.9	0	108.3	S29 N33	S29-K31 PolarHBondContact O-N 2.92Å; K31-N33 PolarHBondContact O-N 3.35Å
32	F	46.7	Very low	52	Low	171 Å²	171	127.7 Å²	127.7	75%	0.75	67%	0.669	S	S	*	*			trans	-61.3	120.7	164.5	-103.1	-107.7	0	0	0	108.1	R30 E34	R30-F32 PolarHBondContact O-N 3.04Å; F32-E34 PolarHBondContact O-N 2.84Å
33	N	48.1	Very low	54.8	Low	122 Å²	122	119.3 Å²	119.3	65%	0.652	63%	0.633	S	S	*	*			trans	-90.9	85	-177	-173.6	15	0	0	0	109.5	K31 N35	K31-N33 PolarHBondContact O-N 3.35Å; N33-N35 PolarHBondContact O-N 3.14Å; N33-N35 VanDerWaalsContact O-N 3.15Å; N33-N35 WeakPolarHBondContact OD1-CB 3.15Å; N33-N35 PolarHBondContact OD1-N 3.37Å; N33-N35 PolarHBondContact OD1-ND2 2.86Å; N33-N35 PolarHBondContact OD1-OD1 3.05Å
34	E	48.7	Very low	57.6	Low	181 Å²	181	117.6 Å²	117.6	85%	0.846	62%	0.618	S	S	*	*			trans	-81.2	61.2	165.9	-71.2	179.2	166.5	0	0	109.6	F32	F32-E34 PolarHBondContact O-N 2.84Å
35	N	45.7	Very low	60	Low	117 Å²	117	110.5 Å²	110.5	63%	0.626	58%	0.58	S	S	*	*			trans	-102.3	124	176.6	-76	-10	0	0	0	110.4	N33 T37	N33-N35 PolarHBondContact O-N 3.14Å; N33-N35 VanDerWaalsContact O-N 3.15Å; N33-N35 WeakPolarHBondContact OD1-CB 3.15Å; N33-N35 PolarHBondContact OD1-N 3.37Å; N33-N35 PolarHBondContact OD1-ND2 2.86Å; N33-N35 PolarHBondContact OD1-OD1 3.05Å; N35-T37 PolarHBondContact O-N 3.02Å
36	S	48	Very low	62.6	Low	121 Å²	121	106 Å²	106	85%	0.846	56%	0.558	S	S	*	*			trans	-41.4	94.2	167.9	42.6	0	0	0	0	112.3
37	T	51.8	Low	64.9	Low	67 Å²	67	99.5 Å²	99.5	41%	0.411	52%	0.524	S	S	.	.			trans	-75.7	127.8	178.1	41.4	0	0	0	0	109.5	N35 T41 A60	N35-T37 PolarHBondContact O-N 3.02Å; T37-T41 HydrophobicContact CG2-CG2 4.12Å; T37-A60 HydrophobicContact CG2-CB 4.26Å
38	P	55.1	Low	67.9	Low	85 Å²	85	93.7 Å²	93.7	55%	0.552	49%	0.494	S	S	*	.			trans	-58.7	146.7	171.3	21.3	-28.9	0	0	0	109.9	S40 T41	P38-S40 PolarHBondContact O-N 3.27Å; P38-T41 VanDerWaalsContact O-CB 3.23Å; P38-T41 WeakPolarHBondContact O-CB 3.47Å; P38-T41 PolarHBondContact O-N 3.42Å; P38-T41 PolarHBondContact O-OG1 3.08Å
39	A	58.6	Low	70.2	Confident	84 Å²	84	87 Å²	87	69%	0.694	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-52.1	-28.2	-173.4	0	0	0	0	0	114.3	T41 I42	A39-T41 PolarHBondContact O-N 3.48Å; A39-I42 PolarHBondContact O-N 2.78Å
40	S	68.9	Low	72.5	Confident	76 Å²	76	86.4 Å²	86.4	53%	0.531	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-64.4	-2.8	174.7	65.9	0	0	0	0	115	P38 K132	P38-S40 PolarHBondContact O-N 3.27Å; S40-K132 WeakPolarHBondContact O-CE 3.11Å; S40-K132 PolarHBondContact O-NZ 3.45Å
41	T	89.1	Confident	74.7	Confident	33 Å²	33	82.3 Å²	82.3	20%	0.202	44%	0.44	C	S	.	.	G	3₁₀ helix	trans	-115.1	-2.2	-175.5	-45.4	0	0	0	0	111.1	T37 P38 A39 A60 V61	T37-T41 HydrophobicContact CG2-CG2 4.12Å; P38-T41 VanDerWaalsContact O-CB 3.23Å; P38-T41 WeakPolarHBondContact O-CB 3.47Å; P38-T41 PolarHBondContact O-N 3.42Å; P38-T41 PolarHBondContact O-OG1 3.08Å; A39-T41 PolarHBondContact O-N 3.48Å; T41-A60 CarbonylContact O-C 3.55Å; T41-A60 VanDerWaalsContact O-CA 3.28Å; T41-A60 WeakPolarHBondContact O-CA 3.49Å; T41-V61 HydrophobicContact CG2-CB 4.04Å; T41-V61 HydrophobicContact CG2-CG2 4.4Å; T41-V61 PolarHBondContact O-N 2.97Å
42	I	96.5	Very high	77.3	Confident	57 Å²	57	75.1 Å²	75.1	29%	0.292	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	137.4	177.2	-58.2	175.3	0	0	0	109.9	A39 E58 G59	A39-I42 PolarHBondContact O-N 2.78Å; I42-E58 HydrophobicContact CG2-CB 3.93Å; I42-E58 HydrophobicContact CG2-CG 4.11Å; I42-G59 CarbonylContact C-O 3.54Å; I42-G59 WeakPolarHBondContact CA-O 3.4Å
43	V	97.9	Very high	79.7	Confident	0 Å²	0	69 Å²	69	0%	0	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	121.6	179	-178.4	0	0	0	0	107.8	V45 G59 V61 L130 T131 L134 N135	V43-V45 HydrophobicContact CG1-CG2 4.34Å; V43-G59 PolarHBondContact N-O 2.8Å; V43-G59 PolarHBondContact O-N 2.91Å; V43-V61 HydrophobicContact CG2-CG2 3.67Å; V43-L130 HydrophobicContact CB-CD1 4.12Å; V43-L130 HydrophobicContact CG1-CB 4.49Å; V43-L130 HydrophobicContact CG1-CD1 4.2Å; V43-L130 HydrophobicContact CG1-CD2 4.46Å; V43-L130 HydrophobicContact CG2-CB 4.45Å; V43-T131 WeakPolarHBondContact CG2-O 3.44Å; V43-L134 HydrophobicContact CG1-CB 4.38Å; V43-N135 HydrophobicContact CG1-CB 4.33Å
44	N	98.1	Very high	82	Confident	71 Å²	71	67.7 Å²	67.7	38%	0.38	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	129.1	177.7	-65.2	-88.6	0	0	0	109.9	N135 G136 M137	N44-N135 WeakPolarHBondContact CB-OD1 3.28Å; N44-N135 PolarHBondContact N-OD1 2.93Å; N44-N135 PolarHBondContact ND2-OD1 3.45Å; N44-G136 WeakPolarHBondContact O-CA 3.34Å; N44-G136 PolarHBondContact O-N 2.75Å; N44-M137 PolarHBondContact O-N 3.47Å
45	V	98.6	Very high	84.3	Confident	2 Å²	2	64.2 Å²	64.2	1%	0.012	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	133.5	178.5	-173.2	0	0	0	0	109.4	V43 F47 V57 L65 L68 L130 I139	V43-V45 HydrophobicContact CG1-CG2 4.34Å; V45-F47 HydrophobicContact CB-CE2 3.94Å; V45-F47 HydrophobicContact CB-CZ 4.38Å; V45-F47 HydrophobicContact CG1-CD2 4.07Å; V45-F47 HydrophobicContact CG1-CE1 4.25Å; V45-F47 HydrophobicContact CG1-CE2 3.54Å; V45-F47 HydrophobicContact CG1-CZ 3.65Å; V45-V57 PolarHBondContact N-O 3.15Å; V45-V57 PolarHBondContact O-N 2.82Å; V45-L65 HydrophobicContact CG1-CD1 4.08Å; V45-L68 HydrophobicContact CG2-CD2 4.44Å; V45-L130 HydrophobicContact CG2-CD1 4.03Å; V45-L130 HydrophobicContact CG2-CD2 4.02Å; V45-I139 HydrophobicContact CG1-CD1 3.58Å; V45-I139 HydrophobicContact CG1-CG1 4.02Å
46	R	98.5	Very high	86.8	Confident	90 Å²	90	65.7 Å²	65.7	34%	0.34	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	114.3	177	-167.1	171	78.4	-123.3	4.3	109.8	I54 R55 H56 M137 T138 I139	R46-I54 HydrophobicContact CG-CG2 3.38Å; R46-R55 CarbonylContact C-O 3.5Å; R46-R55 WeakPolarHBondContact CA-O 3.39Å; R46-H56 WeakPolarHBondContact CD-CE1 3.07Å; R46-M137 PolarHBondContact N-O 2.85Å; R46-T138 HydrophobicContact CB-CG2 4.47Å; R46-T138 PolarHBondContact NH1-OG1 2.84Å; R46-T138 PolarHBondContact NH2-OG1 3.03Å; R46-T138 CarbonylContact O-C 3.46Å; R46-T138 VanDerWaalsContact O-CA 3.3Å; R46-T138 WeakPolarHBondContact O-CA 3.32Å; R46-I139 PolarHBondContact O-N 2.77Å
47	F	98.6	Very high	89.1	Confident	1 Å²	1	60.2 Å²	60.2	0%	0.004	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	129.5	176.2	-65	-88.2	0	0	0	110.1	V45 I54 R55 V57 L65 A69 V74 I76 I139 L141	V45-F47 HydrophobicContact CB-CE2 3.94Å; V45-F47 HydrophobicContact CB-CZ 4.38Å; V45-F47 HydrophobicContact CG1-CD2 4.07Å; V45-F47 HydrophobicContact CG1-CE1 4.25Å; V45-F47 HydrophobicContact CG1-CE2 3.54Å; V45-F47 HydrophobicContact CG1-CZ 3.65Å; F47-I54 CarbonylContact O-C 3.44Å; F47-I54 WeakPolarHBondContact O-CA 3.33Å; F47-R55 HydrophobicContact CB-CB 4.48Å; F47-R55 PolarHBondContact N-O 3.3Å; F47-R55 PolarHBondContact O-N 2.74Å; F47-V57 HydrophobicContact CD2-CB 4.25Å; F47-V57 HydrophobicContact CD2-CG2 3.93Å; F47-V57 HydrophobicContact CE2-CB 3.97Å; F47-V57 HydrophobicContact CE2-CG1 4.48Å; F47-V57 HydrophobicContact CE2-CG2 4Å; F47-L65 HydrophobicContact CE1-CD1 4.04Å; F47-L65 HydrophobicContact CZ-CD1 3.68Å; F47-A69 HydrophobicContact CD1-CB 4.46Å; F47-A69 HydrophobicContact CE1-CB 3.72Å; F47-A69 HydrophobicContact CE2-CB 4.41Å; F47-A69 HydrophobicContact CZ-CB 3.68Å; F47-V74 HydrophobicContact CB-CG1 4.01Å; F47-V74 HydrophobicContact CB-CG2 4.11Å; F47-V74 HydrophobicContact CD1-CG1 3.98Å; F47-V74 HydrophobicContact CD1-CG2 4.44Å; F47-V74 HydrophobicContact CD2-CG2 3.88Å; F47-V74 HydrophobicContact CE2-CG2 4.4Å; F47-V74 HydrophobicContact CG-CG1 4.03Å; F47-V74 HydrophobicContact CG-CG2 3.89Å; F47-I76 HydrophobicContact CE1-CD1 4.23Å; F47-I139 CarbonylContact C-O 3.54Å; F47-I139 WeakPolarHBondContact CA-O 3.4Å; F47-I139 HydrophobicContact CD1-CB 4.06Å; F47-I139 HydrophobicContact CD1-CD1 4.49Å; F47-I139 HydrophobicContact CD1-CG2 4.25Å; F47-I139 HydrophobicContact CE1-CB 4.3Å; F47-I139 HydrophobicContact CE1-CD1 3.93Å; F47-I139 HydrophobicContact CE1-CG2 4.37Å; F47-I139 HydrophobicContact CZ-CD1 4.36Å; F47-L141 HydrophobicContact CD1-CD1 4.35Å
48	V	98.2	Very high	91.3	Very high	28 Å²	28	62.8 Å²	62.8	17%	0.17	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	112.9	170.2	-174.5	0	0	0	0	107.1	I54 T138 I139 T140 L141	V48-I54 HydrophobicContact CG2-CG1 4.4Å; V48-T138 HydrophobicContact CG2-CG2 3.94Å; V48-I139 PolarHBondContact N-O 3.15Å; V48-T140 HydrophobicContact CB-CG2 4.14Å; V48-T140 HydrophobicContact CG1-CG2 4.28Å; V48-L141 PolarHBondContact O-N 2.89Å
49	D	95.6	Very high	93.3	Very high	12 Å²	12	59 Å²	59	6%	0.064	32%	0.319	C	S	.	.			trans	-76.4	171.7	-177.1	-148.5	-26.2	0	0	0	111.4	N51 G52 S53 R55	D49-N51 PolarHBondContact O-N 2.79Å; D49-N51 VanDerWaalsContact O-N 3.16Å; D49-G52 WeakPolarHBondContact O-CA 3.13Å; D49-G52 PolarHBondContact O-N 3.44Å; D49-S53 WeakPolarHBondContact CB-O 3.39Å; D49-S53 WeakPolarHBondContact CB-OG 3.12Å; D49-S53 PolarHBondContact N-O 2.9Å; D49-R55 IonicContact OD2-NE 3.18Å
50	R	93.5	Very high	95.1	Very high	87 Å²	87	56 Å²	56	33%	0.328	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-29.6	-176.9	-58.5	-177.2	173.8	171.9	-0.9	113.4	G52 L141 P142 T145	R50-G52 VanDerWaalsContact C-N 3.33Å; R50-L141 HydrophobicContact CG-CB 4.19Å; R50-P142 WeakPolarHBondContact CG-O 3.35Å; R50-P142 PolarHBondContact NE-O 3.03Å; R50-T145 PolarHBondContact NH2-OG1 3.48Å; R50-T145 VanDerWaalsContact NH2-OG1 3.09Å
51	N	92.9	Very high	96.5	Very high	126 Å²	126	54.8 Å²	54.8	67%	0.674	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	4.3	176.8	65.8	8	0	0	0	113.4	D49 S53	D49-N51 PolarHBondContact O-N 2.79Å; D49-N51 VanDerWaalsContact O-N 3.16Å; N51-S53 VanDerWaalsContact C-N 3.3Å; N51-S53 PolarHBondContact O-N 3.28Å; N51-S53 WeakPolarHBondContact OD1-CB 3.23Å; N51-S53 PolarHBondContact OD1-N 2.8Å; N51-S53 PolarHBondContact OD1-OG 2.82Å
52	G	94.3	Very high	96.9	Very high	46 Å²	46	55.4 Å²	55.4	47%	0.474	30%	0.296	S	S	.	.	S	Bend	trans	81.4	-0.8	-176.7	0	0	0	0	0	115	D49 R50	D49-G52 WeakPolarHBondContact O-CA 3.13Å; D49-G52 PolarHBondContact O-N 3.44Å; R50-G52 VanDerWaalsContact C-N 3.33Å
53	S	96.1	Very high	96.9	Very high	43 Å²	43	54.6 Å²	54.6	30%	0.301	29%	0.293	S	S	.	.			trans	-65.2	145.7	173.9	69.2	0	0	0	0	110.9	D49 N51	D49-S53 WeakPolarHBondContact CB-O 3.39Å; D49-S53 WeakPolarHBondContact CB-OG 3.12Å; D49-S53 PolarHBondContact N-O 2.9Å; N51-S53 VanDerWaalsContact C-N 3.3Å; N51-S53 PolarHBondContact O-N 3.28Å; N51-S53 WeakPolarHBondContact OD1-CB 3.23Å; N51-S53 PolarHBondContact OD1-N 2.8Å; N51-S53 PolarHBondContact OD1-OG 2.82Å
54	I	97.2	Very high	97	Very high	95 Å²	95	56.2 Å²	56.2	49%	0.487	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	132.1	-174.5	-61.9	-179.8	0	0	0	109.3	R46 F47 V48	R46-I54 HydrophobicContact CG-CG2 3.38Å; F47-I54 CarbonylContact O-C 3.44Å; F47-I54 WeakPolarHBondContact O-CA 3.33Å; V48-I54 HydrophobicContact CG2-CG1 4.4Å
55	R	96.7	Very high	97	Very high	107 Å²	107	52.9 Å²	52.9	40%	0.404	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	129.3	172.3	-61.7	-176.2	-167.6	-98.4	3.9	110.2	R46 F47 D49	R46-R55 CarbonylContact C-O 3.5Å; R46-R55 WeakPolarHBondContact CA-O 3.39Å; F47-R55 HydrophobicContact CB-CB 4.48Å; F47-R55 PolarHBondContact N-O 3.3Å; F47-R55 PolarHBondContact O-N 2.74Å; D49-R55 IonicContact OD2-NE 3.18Å
56	H	98.1	Very high	97	Very high	148 Å²	148	52.8 Å²	52.8	69%	0.685	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	129.8	173.5	-68.3	-98.3	0	0	0	108.9	R46	R46-H56 WeakPolarHBondContact CD-CE1 3.07Å
57	V	97.7	Very high	97	Very high	7 Å²	7	51.1 Å²	51.1	4%	0.042	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	140	-176.4	174.8	0	0	0	0	108.9	V45 F47 L68 H72	V45-V57 PolarHBondContact N-O 3.15Å; V45-V57 PolarHBondContact O-N 2.82Å; F47-V57 HydrophobicContact CD2-CB 4.25Å; F47-V57 HydrophobicContact CD2-CG2 3.93Å; F47-V57 HydrophobicContact CE2-CB 3.97Å; F47-V57 HydrophobicContact CE2-CG1 4.48Å; F47-V57 HydrophobicContact CE2-CG2 4Å; V57-L68 HydrophobicContact CG1-CD1 3.77Å; V57-L68 HydrophobicContact CG1-CD2 3.97Å; V57-L68 HydrophobicContact CG1-CG 3.69Å; V57-H72 HydrophobicContact CG1-CB 4.16Å; V57-H72 VanDerWaalsContact CG1-CE1 3.49Å; V57-H72 WeakPolarHBondContact CG1-CE1 3.34Å; V57-H72 VanDerWaalsContact CG1-CG 3.5Å; V57-H72 VanDerWaalsContact CG1-ND1 3.32Å; V57-H72 WeakPolarHBondContact CG1-ND1 3.4Å; V57-H72 HydrophobicContact CG2-CB 3.62Å
58	E	97.4	Very high	96.9	Very high	121 Å²	121	51.3 Å²	51.3	57%	0.565	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.2	128	171	-69	-179.4	-171.2	0	0	108.9	I42	I42-E58 HydrophobicContact CG2-CB 3.93Å; I42-E58 HydrophobicContact CG2-CG 4.11Å
59	G	97	Very high	96.9	Very high	5 Å²	5	50 Å²	50	5%	0.052	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	162.9	172.7	0	0	0	0	0	111.2	I42 V43	I42-G59 CarbonylContact C-O 3.54Å; I42-G59 WeakPolarHBondContact CA-O 3.4Å; V43-G59 PolarHBondContact N-O 2.8Å; V43-G59 PolarHBondContact O-N 2.91Å
60	A	96.8	Very high	97	Very high	20 Å²	20	53.9 Å²	53.9	17%	0.165	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	151	169.7	0	0	0	0	0	110.9	T37 T41 G62 D63	T37-A60 HydrophobicContact CG2-CB 4.26Å; T41-A60 CarbonylContact O-C 3.55Å; T41-A60 VanDerWaalsContact O-CA 3.28Å; T41-A60 WeakPolarHBondContact O-CA 3.49Å; A60-G62 PolarHBondContact O-N 3.08Å; A60-D63 PolarHBondContact N-OD2 2.81Å; A60-D63 VanDerWaalsContact O-CB 3.27Å; A60-D63 WeakPolarHBondContact O-CB 3.28Å; A60-D63 PolarHBondContact O-N 2.91Å
61	V	97.7	Very high	97.2	Very high	52 Å²	52	56.7 Å²	56.7	32%	0.315	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	129.1	163.9	173.7	0	0	0	0	108.7	T41 V43 L130 K132	T41-V61 HydrophobicContact CG2-CB 4.04Å; T41-V61 HydrophobicContact CG2-CG2 4.4Å; T41-V61 PolarHBondContact O-N 2.97Å; V43-V61 HydrophobicContact CG2-CG2 3.67Å; V61-L130 CarbonylContact C-O 3.6Å; V61-L130 WeakPolarHBondContact CA-O 3.39Å; V61-K132 HydrophobicContact CG2-CG 3.57Å
62	G	96.9	Very high	97.4	Very high	45 Å²	45	54.4 Å²	54.4	46%	0.464	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.8	0.1	-174.2	0	0	0	0	0	114.5	A60 M129 L130	A60-G62 PolarHBondContact O-N 3.08Å; G62-M129 WeakPolarHBondContact O-CE 3.48Å; G62-L130 PolarHBondContact N-O 3.19Å
63	D	98.1	Very high	97.4	Very high	41 Å²	41	58.4 Å²	58.4	22%	0.219	29%	0.293	C	S	.	.			trans	-71	144	168.4	-81.1	-21.8	0	0	0	111	A60 L130	A60-D63 PolarHBondContact N-OD2 2.81Å; A60-D63 VanDerWaalsContact O-CB 3.27Å; A60-D63 WeakPolarHBondContact O-CB 3.28Å; A60-D63 PolarHBondContact O-N 2.91Å; D63-L130 HydrophobicContact CB-CD1 4.32Å; D63-L130 PolarHBondContact O-N 2.97Å
64	N	98.3	Very high	97.4	Very high	34 Å²	34	56.6 Å²	56.6	18%	0.182	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-77.9	127.7	170.2	-177.7	-89.4	0	0	0	109.9	M66 I67 L68 C126 M129	N64-M66 PolarHBondContact O-N 2.96Å; N64-M66 WeakPolarHBondContact OD1-CB 3.38Å; N64-M66 PolarHBondContact OD1-N 2.84Å; N64-I67 HydrophobicContact CB-CB 4.15Å; N64-I67 HydrophobicContact CB-CG1 4.05Å; N64-I67 PolarHBondContact O-N 2.81Å; N64-I67 PolarHBondContact OD1-N 3.15Å; N64-L68 WeakPolarHBondContact O-CB 3.38Å; N64-L68 PolarHBondContact O-N 3.01Å; N64-C126 PolarHBondContact ND2-O 2.89Å; N64-M129 HydrophobicContact CB-CE 4.32Å; N64-M129 HydrophobicContact CB-SD 4.04Å
65	L	98.7	Very high	97.2	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.7	-43.2	-172.5	175.6	71.6	0	0	0	113	V45 F47 L68 A69 I93 S125 I128 L130 I139	V45-L65 HydrophobicContact CG1-CD1 4.08Å; F47-L65 HydrophobicContact CE1-CD1 4.04Å; F47-L65 HydrophobicContact CZ-CD1 3.68Å; L65-L68 PolarHBondContact O-N 2.93Å; L65-A69 WeakPolarHBondContact O-CB 3.49Å; L65-A69 PolarHBondContact O-N 3.44Å; L65-I93 HydrophobicContact CD2-CD1 4.48Å; L65-S125 WeakPolarHBondContact CB-O 3.3Å; L65-I128 HydrophobicContact CB-CB 4.04Å; L65-I128 HydrophobicContact CB-CG2 4.05Å; L65-I128 HydrophobicContact CD2-CB 3.98Å; L65-I128 HydrophobicContact CD2-CD1 3.9Å; L65-I128 HydrophobicContact CD2-CG2 3.98Å; L65-I128 PolarHBondContact N-O 3.09Å; L65-L130 HydrophobicContact CD1-CD2 4.03Å; L65-I139 HydrophobicContact CD1-CD1 3.32Å; L65-I139 HydrophobicContact CD2-CD1 3.36Å; L65-I139 HydrophobicContact CG-CD1 3.85Å
66	M	98.5	Very high	97.2	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-63	-46	177.2	-177.3	-163.2	71	0	0	111.7	N64 L68 A69 R70 I76 G78 C89 S125 C126	N64-M66 PolarHBondContact O-N 2.96Å; N64-M66 WeakPolarHBondContact OD1-CB 3.38Å; N64-M66 PolarHBondContact OD1-N 2.84Å; M66-L68 VanDerWaalsContact C-N 3.33Å; M66-L68 PolarHBondContact O-N 2.81Å; M66-A69 WeakPolarHBondContact O-CB 3.32Å; M66-A69 PolarHBondContact O-N 3.15Å; M66-R70 PolarHBondContact O-N 2.87Å; M66-I76 HydrophobicContact CG-CG2 3.94Å; M66-G78 VanDerWaalsContact SD-CA 3.51Å; M66-C89 HydrophobicContact CG-CB 4.04Å; M66-C89 HydrophobicContact SD-CB 3.69Å; M66-S125 WeakPolarHBondContact CB-OG 3.45Å; M66-S125 PolarHBondContact N-O 3.4Å; M66-C126 HydrophobicContact CB-CB 4.06Å; M66-C126 HydrophobicContact CE-CB 4.1Å; M66-C126 HydrophobicContact CG-CB 4.47Å; M66-C126 HydrophobicContact SD-CB 3.67Å
67	I	98.1	Very high	97	Very high	55 Å²	55	49.6 Å²	49.6	28%	0.282	25%	0.25	S	S	.	.	H	α-helix	trans	-65.2	-40	179.7	-60.7	-63.4	0	0	0	110.7	N64 R70 R71	N64-I67 HydrophobicContact CB-CB 4.15Å; N64-I67 HydrophobicContact CB-CG1 4.05Å; N64-I67 PolarHBondContact O-N 2.81Å; N64-I67 PolarHBondContact OD1-N 3.15Å; I67-R70 PolarHBondContact O-N 3.48Å; I67-R71 HydrophobicContact CG2-CG 4.45Å; I67-R71 WeakPolarHBondContact O-CB 3.46Å; I67-R71 VanDerWaalsContact O-CG 3.29Å; I67-R71 WeakPolarHBondContact O-CG 3.37Å; I67-R71 PolarHBondContact O-N 2.86Å
68	L	98.2	Very high	96.9	Very high	4 Å²	4	49.3 Å²	49.3	2%	0.021	25%	0.249	C	C	.	.	H	α-helix	trans	-60.4	-48	175.1	178.8	67.6	0	0	0	111.5	V45 V57 N64 L65 M66 R70 R71 H72 L130	V45-L68 HydrophobicContact CG2-CD2 4.44Å; V57-L68 HydrophobicContact CG1-CD1 3.77Å; V57-L68 HydrophobicContact CG1-CD2 3.97Å; V57-L68 HydrophobicContact CG1-CG 3.69Å; N64-L68 WeakPolarHBondContact O-CB 3.38Å; N64-L68 PolarHBondContact O-N 3.01Å; L65-L68 PolarHBondContact O-N 2.93Å; M66-L68 VanDerWaalsContact C-N 3.33Å; M66-L68 PolarHBondContact O-N 2.81Å; L68-R70 PolarHBondContact O-N 3.5Å; L68-R71 PolarHBondContact O-N 3.44Å; L68-H72 VanDerWaalsContact CD1-CE1 3.49Å; L68-H72 WeakPolarHBondContact CD1-CE1 3.36Å; L68-H72 PolarHBondContact O-N 2.9Å; L68-H72 PolarHBondContact O-ND1 2.85Å; L68-L130 HydrophobicContact CD2-CD1 3.49Å; L68-L130 VanDerWaalsContact CD2-CD1 3.49Å
69	A	98.1	Very high	96.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-56.9	-49.6	176.9	0	0	0	0	0	111.6	F47 L65 M66 R71 H72 N73 V74 I76	F47-A69 HydrophobicContact CD1-CB 4.46Å; F47-A69 HydrophobicContact CE1-CB 3.72Å; F47-A69 HydrophobicContact CE2-CB 4.41Å; F47-A69 HydrophobicContact CZ-CB 3.68Å; L65-A69 WeakPolarHBondContact O-CB 3.49Å; L65-A69 PolarHBondContact O-N 3.44Å; M66-A69 WeakPolarHBondContact O-CB 3.32Å; M66-A69 PolarHBondContact O-N 3.15Å; A69-R71 PolarHBondContact O-N 3.28Å; A69-H72 CarbonylContact O-C 3.59Å; A69-H72 PolarHBondContact O-N 3.28Å; A69-H72 VanDerWaalsContact O-N 3.1Å; A69-N73 PolarHBondContact O-N 2.83Å; A69-V74 HydrophobicContact CB-CB 3.93Å; A69-V74 HydrophobicContact CB-CG1 4.35Å; A69-V74 HydrophobicContact CB-CG2 4.28Å; A69-V74 WeakPolarHBondContact O-CB 3.27Å; A69-V74 PolarHBondContact O-N 2.89Å; A69-I76 HydrophobicContact CB-CD1 3.57Å; A69-I76 HydrophobicContact CB-CG1 4.16Å
70	R	97.1	Very high	96.8	Very high	94 Å²	94	46.6 Å²	46.6	36%	0.355	25%	0.245	S	C	.	.	H	α-helix	trans	-63.8	-40.3	179.5	-73.9	179.8	68.6	-169.2	3.7	112.9	M66 I67 L68 H72 N73 I76 E81	M66-R70 PolarHBondContact O-N 2.87Å; I67-R70 PolarHBondContact O-N 3.48Å; L68-R70 PolarHBondContact O-N 3.5Å; R70-H72 PolarHBondContact O-N 2.75Å; R70-N73 PolarHBondContact O-N 2.83Å; R70-I76 WeakPolarHBondContact CG-O 3.26Å; R70-E81 IonicContact CZ-OE1 3.84Å; R70-E81 IonicContact CZ-OE2 3.92Å; R70-E81 IonicContact NH1-OE1 2.83Å; R70-E81 PolarHBondContact NH1-OE1 2.67Å; R70-E81 IonicContact NH1-OE2 2.75Å; R70-E81 PolarHBondContact NH1-OE2 3.22Å; R70-E81 IonicContact NH2-OE1 3.48Å; R70-E81 PolarHBondContact NH2-OE1 3.21Å
71	R	96.9	Very high	96.8	Very high	146 Å²	146	50.7 Å²	50.7	55%	0.551	26%	0.261	S	S	*	.	H	α-helix	trans	-58.7	-28.3	174.3	-76.2	174.9	-175.7	171.3	4	112.8	I67 L68 A69	I67-R71 HydrophobicContact CG2-CG 4.45Å; I67-R71 WeakPolarHBondContact O-CB 3.46Å; I67-R71 VanDerWaalsContact O-CG 3.29Å; I67-R71 WeakPolarHBondContact O-CG 3.37Å; I67-R71 PolarHBondContact O-N 2.86Å; L68-R71 PolarHBondContact O-N 3.44Å; A69-R71 PolarHBondContact O-N 3.28Å
72	H	96.8	Very high	96.7	Very high	78 Å²	78	49.5 Å²	49.5	36%	0.361	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	17.1	179.5	-65.8	85.5	0	0	0	113.3	V57 L68 A69 R70 V74	V57-H72 HydrophobicContact CG1-CB 4.16Å; V57-H72 VanDerWaalsContact CG1-CE1 3.49Å; V57-H72 WeakPolarHBondContact CG1-CE1 3.34Å; V57-H72 VanDerWaalsContact CG1-CG 3.5Å; V57-H72 VanDerWaalsContact CG1-ND1 3.32Å; V57-H72 WeakPolarHBondContact CG1-ND1 3.4Å; V57-H72 HydrophobicContact CG2-CB 3.62Å; L68-H72 VanDerWaalsContact CD1-CE1 3.49Å; L68-H72 WeakPolarHBondContact CD1-CE1 3.36Å; L68-H72 PolarHBondContact O-N 2.9Å; L68-H72 PolarHBondContact O-ND1 2.85Å; A69-H72 CarbonylContact O-C 3.59Å; A69-H72 PolarHBondContact O-N 3.28Å; A69-H72 VanDerWaalsContact O-N 3.1Å; R70-H72 PolarHBondContact O-N 2.75Å; H72-V74 PolarHBondContact O-N 2.73Å
73	N	94.1	Very high	96.7	Very high	131 Å²	131	51.7 Å²	51.7	70%	0.701	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	32.4	178.6	-53.1	-67.9	0	0	0	113.9	A69 R70	A69-N73 PolarHBondContact O-N 2.83Å; R70-N73 PolarHBondContact O-N 2.83Å
74	V	96.2	Very high	96.7	Very high	5 Å²	5	52.2 Å²	52.2	3%	0.03	27%	0.27	C	S	.	.			trans	-77	133.4	162.9	-176.3	0	0	0	0	107.3	F47 A69 H72 I76 L141	F47-V74 HydrophobicContact CB-CG1 4.01Å; F47-V74 HydrophobicContact CB-CG2 4.11Å; F47-V74 HydrophobicContact CD1-CG1 3.98Å; F47-V74 HydrophobicContact CD1-CG2 4.44Å; F47-V74 HydrophobicContact CD2-CG2 3.88Å; F47-V74 HydrophobicContact CE2-CG2 4.4Å; F47-V74 HydrophobicContact CG-CG1 4.03Å; F47-V74 HydrophobicContact CG-CG2 3.89Å; A69-V74 HydrophobicContact CB-CB 3.93Å; A69-V74 HydrophobicContact CB-CG1 4.35Å; A69-V74 HydrophobicContact CB-CG2 4.28Å; A69-V74 WeakPolarHBondContact O-CB 3.27Å; A69-V74 PolarHBondContact O-N 2.89Å; H72-V74 PolarHBondContact O-N 2.73Å; V74-I76 HydrophobicContact CG1-CD1 4.49Å; V74-I76 HydrophobicContact CG1-CG1 4.06Å; V74-I76 PolarHBondContact O-N 2.93Å; V74-L141 HydrophobicContact CG1-CD1 4.03Å; V74-L141 HydrophobicContact CG1-CD2 4.08Å
75	E	94.1	Very high	96.6	Very high	123 Å²	123	53.5 Å²	53.5	58%	0.575	29%	0.285	S	S	*	.			trans	-78.2	53.5	-172.5	-158.2	-179.6	-180	0	0	113	L141	E75-L141 WeakPolarHBondContact O-CD2 3.39Å
76	I	96.2	Very high	96.5	Very high	11 Å²	11	54.4 Å²	54.4	6%	0.056	29%	0.291	C	S	.	.			trans	-88.8	120.4	166.9	-58.3	-173.5	0	0	0	107.9	F47 M66 A69 R70 V74 C89 V91 L141	F47-I76 HydrophobicContact CE1-CD1 4.23Å; M66-I76 HydrophobicContact CG-CG2 3.94Å; A69-I76 HydrophobicContact CB-CD1 3.57Å; A69-I76 HydrophobicContact CB-CG1 4.16Å; R70-I76 WeakPolarHBondContact CG-O 3.26Å; V74-I76 HydrophobicContact CG1-CD1 4.49Å; V74-I76 HydrophobicContact CG1-CG1 4.06Å; V74-I76 PolarHBondContact O-N 2.93Å; I76-C89 HydrophobicContact CG2-CB 3.94Å; I76-V91 HydrophobicContact CD1-CG1 3.77Å; I76-L141 HydrophobicContact CD1-CD1 4.24Å; I76-L141 HydrophobicContact CG1-CD1 4.06Å; I76-L141 HydrophobicContact CG1-CD2 3.98Å; I76-L141 HydrophobicContact CG1-CG 4.1Å
77	E	94.6	Very high	96.4	Very high	68 Å²	68	54.5 Å²	54.5	32%	0.318	29%	0.292	S	S	.	.			trans	-69.4	-58.2	-172.7	-175.1	-173.6	165.4	0	0	112.1	A79 T88 T145 N147	E77-A79 PolarHBondContact O-N 2.85Å; E77-T88 WeakPolarHBondContact OE2-CB 3.49Å; E77-T145 PolarHBondContact OE2-OG1 2.75Å; E77-N147 VanDerWaalsContact OE1-CB 3.24Å; E77-N147 WeakPolarHBondContact OE1-CB 3.24Å; E77-N147 PolarHBondContact OE1-ND2 3.16Å
78	G	96	Very high	96.4	Very high	1 Å²	1	52 Å²	52	1%	0.01	28%	0.279	C	S	.	.			trans	62.7	41.9	173.1	0	0	0	0	0	115.5	M66 C80 E81 T88	M66-G78 VanDerWaalsContact SD-CA 3.51Å; G78-C80 PolarHBondContact O-N 2.97Å; G78-E81 PolarHBondContact O-N 2.92Å; G78-T88 PolarHBondContact N-O 3.45Å; G78-T88 PolarHBondContact N-OG1 2.88Å
79	A	95.9	Very high	96.4	Very high	44 Å²	44	51.8 Å²	51.8	36%	0.364	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-35.5	-169.5	0	0	0	0	0	115.8	E77 E81 T88 N147	E77-A79 PolarHBondContact O-N 2.85Å; A79-E81 VanDerWaalsContact C-N 3.26Å; A79-E81 PolarHBondContact O-N 3.03Å; A79-T88 HydrophobicContact CB-CG2 4.25Å; A79-T88 WeakPolarHBondContact CB-OG1 3.47Å; A79-T88 PolarHBondContact N-OG1 3.47Å; A79-N147 WeakPolarHBondContact CB-ND2 3.24Å
80	C	96.1	Very high	96.4	Very high	25 Å²	25	52 Å²	52	17%	0.169	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	3.7	177.4	77.3	0	0	0	0	114.1	G78 G82 S83 A85 C86	G78-C80 PolarHBondContact O-N 2.97Å; C80-G82 PolarHBondContact O-N 3.21Å; C80-S83 VanDerWaalsContact O-CB 3.24Å; C80-S83 WeakPolarHBondContact O-CB 2.9Å; C80-S83 PolarHBondContact O-N 3.4Å; C80-S83 VanDerWaalsContact O-N 3.13Å; C80-S83 PolarHBondContact O-OG 3.5Å; C80-S83 PolarHBondContact SG-N 2.96Å; C80-A85 HydrophobicContact CB-CB 3.98Å; C80-A85 PolarHBondContact SG-N 2.84Å; C80-C86 HydrophobicContact CB-CB 4.11Å; C80-C86 VanDerWaalsContact CB-SG 3.55Å; C80-C86 PolarHBondContact N-SG 3.43Å; C80-C86 VanDerWaalsContact N-SG 3.38Å; C80-C86 PolarHBondContact SG-SG 3.49Å
81	E	95.7	Very high	96.5	Very high	106 Å²	106	47.6 Å²	47.6	50%	0.495	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	34.4	178.4	-59.8	-64	161.5	0	0	113.7	R70 G78 A79	R70-E81 IonicContact CZ-OE1 3.84Å; R70-E81 IonicContact CZ-OE2 3.92Å; R70-E81 IonicContact NH1-OE1 2.83Å; R70-E81 PolarHBondContact NH1-OE1 2.67Å; R70-E81 IonicContact NH1-OE2 2.75Å; R70-E81 PolarHBondContact NH1-OE2 3.22Å; R70-E81 IonicContact NH2-OE1 3.48Å; R70-E81 PolarHBondContact NH2-OE1 3.21Å; G78-E81 PolarHBondContact O-N 2.92Å; A79-E81 VanDerWaalsContact C-N 3.26Å; A79-E81 PolarHBondContact O-N 3.03Å
82	G	96.6	Very high	96.6	Very high	28 Å²	28	41.5 Å²	41.5	29%	0.289	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.7	10.2	179.1	0	0	0	0	0	115.2	C80 L84	C80-G82 PolarHBondContact O-N 3.21Å; G82-L84 PolarHBondContact O-N 3.38Å; G82-L84 VanDerWaalsContact O-N 3.09Å
83	S	97.2	Very high	96.6	Very high	90 Å²	90	37.9 Å²	37.9	63%	0.629	22%	0.223	S	C	*	.	S	Bend	trans	-76.8	13.2	-179.8	-49.2	0	0	0	0	114.6	C80 A85	C80-S83 VanDerWaalsContact O-CB 3.24Å; C80-S83 WeakPolarHBondContact O-CB 2.9Å; C80-S83 PolarHBondContact O-N 3.4Å; C80-S83 VanDerWaalsContact O-N 3.13Å; C80-S83 PolarHBondContact O-OG 3.5Å; C80-S83 PolarHBondContact SG-N 2.96Å; S83-A85 PolarHBondContact O-N 3.35Å
84	L	97.2	Very high	96.8	Very high	52 Å²	52	35 Å²	35	27%	0.272	21%	0.207	S	C	.	.	S	Bend	trans	49.8	41.9	-176.9	-163.6	56.2	0	0	0	113.5	G82 E108 M111 L124 Q127	G82-L84 PolarHBondContact O-N 3.38Å; G82-L84 VanDerWaalsContact O-N 3.09Å; L84-E108 HydrophobicContact CD1-CB 4.19Å; L84-M111 HydrophobicContact CD1-CG 4.36Å; L84-L124 HydrophobicContact CD1-CD1 3.78Å; L84-Q127 HydrophobicContact CD1-CG 3.88Å
85	A	96.5	Very high	96.8	Very high	61 Å²	61	39.4 Å²	39.4	50%	0.504	23%	0.228	S	C	.	.	S	Bend	trans	-124.4	9.3	-176.9	0	0	0	0	0	113.3	C80 S83	C80-A85 HydrophobicContact CB-CB 3.98Å; C80-A85 PolarHBondContact SG-N 2.84Å; S83-A85 PolarHBondContact O-N 3.35Å
86	C	96.3	Very high	96.9	Very high	19 Å²	19	41.3 Å²	41.3	13%	0.128	23%	0.234	C	C	.	.			trans	-157.8	164.8	173.9	76	0	0	0	0	111.1	C80 T88	C80-C86 HydrophobicContact CB-CB 4.11Å; C80-C86 VanDerWaalsContact CB-SG 3.55Å; C80-C86 PolarHBondContact N-SG 3.43Å; C80-C86 VanDerWaalsContact N-SG 3.38Å; C80-C86 PolarHBondContact SG-SG 3.49Å; C86-T88 PolarHBondContact SG-OG1 3Å
87	S	96.9	Very high	97	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.021	23%	0.234	C	C	.	.	S	Bend	trans	-103.2	9.9	174.8	56	0	0	0	0	114.9	C89 H90 M111	S87-C89 PolarHBondContact O-N 2.89Å; S87-H90 WeakPolarHBondContact O-CB 3.32Å; S87-H90 PolarHBondContact O-N 2.92Å; S87-M111 VanDerWaalsContact CB-O 3.28Å; S87-M111 WeakPolarHBondContact CB-O 3.08Å
88	T	97.2	Very high	97.1	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.012	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-5.4	-174.7	61.8	0	0	0	0	114.7	E77 G78 A79 C86 R146 N147	E77-T88 WeakPolarHBondContact OE2-CB 3.49Å; G78-T88 PolarHBondContact N-O 3.45Å; G78-T88 PolarHBondContact N-OG1 2.88Å; A79-T88 HydrophobicContact CB-CG2 4.25Å; A79-T88 WeakPolarHBondContact CB-OG1 3.47Å; A79-T88 PolarHBondContact N-OG1 3.47Å; C86-T88 PolarHBondContact SG-OG1 3Å; T88-R146 WeakPolarHBondContact CG2-O 3.24Å; T88-N147 HydrophobicContact CG2-CB 3.73Å
89	C	98.2	Very high	97.1	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.007	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	12.6	170.9	69.8	0	0	0	0	113.2	M66 I76 S87 S125 C126	M66-C89 HydrophobicContact CG-CB 4.04Å; M66-C89 HydrophobicContact SD-CB 3.69Å; I76-C89 HydrophobicContact CG2-CB 3.94Å; S87-C89 PolarHBondContact O-N 2.89Å; C89-S125 WeakPolarHBondContact CB-OG 3.07Å; C89-S125 WeakPolarHBondContact O-CB 3.2Å; C89-S125 PolarHBondContact O-N 3.23Å; C89-S125 PolarHBondContact O-OG 3.13Å; C89-C126 HydrophobicContact CB-CB 4.48Å; C89-C126 PolarHBondContact SG-SG 3.24Å
90	H	98.6	Very high	97.2	Very high	5 Å²	5	48.6 Å²	48.6	2%	0.023	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	134.3	178.4	172.3	-140.9	0	0	0	111.8	S87 Y92 A115 S122 R123 L124 P142	S87-H90 WeakPolarHBondContact O-CB 3.32Å; S87-H90 PolarHBondContact O-N 2.92Å; H90-Y92 AromaticContact CE1-CE1 3.6Å; H90-Y92 AromaticContact CE1-CZ 3.93Å; H90-Y92 AromaticContact NE2-CD1 3.97Å; H90-Y92 AromaticContact NE2-CE1 3.52Å; H90-A115 HydrophobicContact CB-CB 4.38Å; H90-S122 WeakPolarHBondContact NE2-CB 3.37Å; H90-S122 PolarHBondContact NE2-OG 3.43Å; H90-R123 WeakPolarHBondContact CA-O 3.4Å; H90-L124 HydrophobicContact CB-CD2 4.29Å; H90-P142 HydrophobicContact CB-CG 4.47Å; H90-P142 WeakPolarHBondContact O-CD 3.43Å; H90-P142 WeakPolarHBondContact O-CG 3.39Å
91	V	98.7	Very high	97.3	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	161.6	175.7	-65	0	0	0	0	110.2	I76 I93 S122 R123 I139 L141	I76-V91 HydrophobicContact CD1-CG1 3.77Å; V91-I93 HydrophobicContact CG2-CD1 3.89Å; V91-S122 WeakPolarHBondContact O-CA 3.38Å; V91-R123 PolarHBondContact N-O 3.09Å; V91-R123 PolarHBondContact O-N 2.84Å; V91-I139 HydrophobicContact CB-CG2 3.54Å; V91-I139 HydrophobicContact CG1-CG2 3.87Å; V91-I139 HydrophobicContact CG2-CG2 3.76Å; V91-L141 HydrophobicContact CG1-CD1 4.29Å
92	Y	98.7	Very high	97.4	Very high	19 Å²	19	47.7 Å²	47.7	8%	0.075	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	131.1	167.6	-49	-62.1	0	0	0	110.3	H90 F117 Q119 N121 S122 I139 T140 P142	H90-Y92 AromaticContact CE1-CE1 3.6Å; H90-Y92 AromaticContact CE1-CZ 3.93Å; H90-Y92 AromaticContact NE2-CD1 3.97Å; H90-Y92 AromaticContact NE2-CE1 3.52Å; Y92-F117 WeakPolarHBondContact CE1-O 3.49Å; Y92-F117 WeakPolarHBondContact OH-CB 3.29Å; Y92-F117 PolarHBondContact OH-O 3.15Å; Y92-Q119 HydrophobicContact CD1-CB 4Å; Y92-Q119 HydrophobicContact CD1-CG 4.23Å; Y92-Q119 HydrophobicContact CE1-CB 3.77Å; Y92-Q119 HydrophobicContact CE1-CG 3.64Å; Y92-Q119 PolarHBondContact OH-NE2 2.98Å; Y92-N121 WeakPolarHBondContact CA-O 3.39Å; Y92-S122 WeakPolarHBondContact CD1-OG 3.39Å; Y92-S122 WeakPolarHBondContact CE1-OG 3.13Å; Y92-I139 WeakPolarHBondContact O-CA 3.48Å; Y92-T140 HydrophobicContact CD2-CG2 4.36Å; Y92-T140 PolarHBondContact N-O 3.1Å; Y92-T140 PolarHBondContact O-N 3.21Å; Y92-P142 HydrophobicContact CE2-CB 3.93Å
93	I	98.6	Very high	97.4	Very high	1 Å²	1	52 Å²	52	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	135	176.5	-53.4	-59.1	0	0	0	108.9	L65 V91 Q95 F97 Y98 L101 N121 R123 I128 M137 I139	L65-I93 HydrophobicContact CD2-CD1 4.48Å; V91-I93 HydrophobicContact CG2-CD1 3.89Å; I93-Q95 PolarHBondContact O-N 3.17Å; I93-F97 HydrophobicContact CG2-CB 4.16Å; I93-Y98 HydrophobicContact CB-CD2 4.15Å; I93-L101 HydrophobicContact CG1-CD1 4.01Å; I93-L101 HydrophobicContact CG2-CD1 4.07Å; I93-N121 PolarHBondContact N-O 2.76Å; I93-N121 WeakPolarHBondContact O-CB 3.34Å; I93-N121 PolarHBondContact O-ND2 2.99Å; I93-R123 HydrophobicContact CG1-CB 4.11Å; I93-R123 HydrophobicContact CG1-CG 3.98Å; I93-I128 HydrophobicContact CD1-CD1 3.69Å; I93-I128 HydrophobicContact CG1-CD1 4.02Å; I93-M137 HydrophobicContact CD1-SD 4.44Å; I93-M137 HydrophobicContact CG2-CG 4.36Å; I93-M137 HydrophobicContact CG2-SD 3.66Å; I93-I139 HydrophobicContact CD1-CD1 4.16Å; I93-I139 HydrophobicContact CD1-CG1 4.08Å; I93-I139 HydrophobicContact CD1-CG2 4.21Å
94	D	97.5	Very high	97.5	Very high	70 Å²	70	48.5 Å²	48.5	37%	0.374	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-56.5	133.5	173.3	-175.6	-68	0	0	0	110.7	K96 F97 Y98 T138	D94-K96 PolarHBondContact O-N 2.91Å; D94-K96 WeakPolarHBondContact OD1-CB 3.5Å; D94-K96 PolarHBondContact OD1-N 3.29Å; D94-F97 HydrophobicContact CB-CD2 4.21Å; D94-F97 PolarHBondContact O-N 2.85Å; D94-Y98 PolarHBondContact O-N 3.26Å; D94-T138 WeakPolarHBondContact CB-O 3.4Å; D94-T138 PolarHBondContact N-O 3.37Å; D94-T138 VanDerWaalsContact N-O 3.08Å
95	Q	95.3	Very high	97.5	Very high	98 Å²	98	48.9 Å²	48.9	46%	0.458	27%	0.273	S	S	.	.	H	α-helix	trans	-55.2	-31	-173.6	-169.3	61.2	40.7	0	0	112.8	I93 F97 Y98	I93-Q95 PolarHBondContact O-N 3.17Å; Q95-F97 PolarHBondContact O-N 2.97Å; Q95-F97 VanDerWaalsContact O-N 3.14Å; Q95-Y98 PolarHBondContact O-N 3.24Å
96	K	96.6	Very high	97.6	Very high	163 Å²	163	53.8 Å²	53.8	71%	0.709	29%	0.286	S	S	*	.	H	α-helix	trans	-57.8	-28.5	176.5	-176.4	-176.8	171.8	-172.3	0	112.8	D94	D94-K96 PolarHBondContact O-N 2.91Å; D94-K96 WeakPolarHBondContact OD1-CB 3.5Å; D94-K96 PolarHBondContact OD1-N 3.29Å
97	F	98	Very high	97.7	Very high	12 Å²	12	54.1 Å²	54.1	5%	0.053	29%	0.293	C	S	.	.	H	α-helix	trans	-110.2	-16.1	-177.1	-61.1	-87.6	0	0	0	113.2	I93 D94 Q95 D99 L100 L134 G136 M137	I93-F97 HydrophobicContact CG2-CB 4.16Å; D94-F97 HydrophobicContact CB-CD2 4.21Å; D94-F97 PolarHBondContact O-N 2.85Å; Q95-F97 PolarHBondContact O-N 2.97Å; Q95-F97 VanDerWaalsContact O-N 3.14Å; F97-D99 PolarHBondContact O-N 3.33Å; F97-L100 HydrophobicContact CD1-CD1 4.06Å; F97-L100 WeakPolarHBondContact O-CB 3.49Å; F97-L100 PolarHBondContact O-N 3.23Å; F97-L100 VanDerWaalsContact O-N 3.12Å; F97-L134 HydrophobicContact CB-CD2 4.31Å; F97-L134 HydrophobicContact CD1-CD2 4.41Å; F97-G136 VanDerWaalsContact CZ-C 3.47Å; F97-G136 WeakPolarHBondContact CZ-O 3.19Å; F97-M137 HydrophobicContact CB-CB 4.32Å; F97-M137 HydrophobicContact CB-CG 3.8Å; F97-M137 HydrophobicContact CB-SD 3.67Å; F97-M137 HydrophobicContact CD1-CB 3.91Å; F97-M137 HydrophobicContact CD1-CG 4.33Å; F97-M137 HydrophobicContact CD2-CB 4.04Å; F97-M137 HydrophobicContact CD2-CG 4Å; F97-M137 HydrophobicContact CE1-CB 4.16Å; F97-M137 HydrophobicContact CE2-CB 4.3Å; F97-M137 HydrophobicContact CG-CB 3.82Å; F97-M137 HydrophobicContact CG-CG 3.78Å; F97-M137 HydrophobicContact CG-SD 4.23Å; F97-M137 HydrophobicContact CZ-CB 4.34Å
98	Y	97.9	Very high	97.8	Very high	49 Å²	49	54.1 Å²	54.1	19%	0.192	29%	0.292	C	S	.	.	H	α-helix	trans	-56.7	-48.9	-177.7	-174.1	-98	0	0	0	112	I93 D94 Q95 L100 L101 E120 N121 R123	I93-Y98 HydrophobicContact CB-CD2 4.15Å; D94-Y98 PolarHBondContact O-N 3.26Å; Q95-Y98 PolarHBondContact O-N 3.24Å; Y98-L100 PolarHBondContact O-N 3.33Å; Y98-L101 WeakPolarHBondContact O-CB 3.07Å; Y98-L101 PolarHBondContact O-N 3.21Å; Y98-L101 VanDerWaalsContact O-N 3.08Å; Y98-E120 PolarHBondContact OH-O 3.07Å; Y98-N121 HydrophobicContact CD2-CB 4Å; Y98-N121 HydrophobicContact CE2-CB 4.33Å; Y98-N121 HydrophobicContact CG-CB 4.46Å; Y98-R123 HydrophobicContact CD2-CG 4.37Å; Y98-R123 HydrophobicContact CE2-CG 3.8Å
99	D	96.2	Very high	97.9	Very high	124 Å²	124	57.8 Å²	57.8	66%	0.663	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-8.6	-178	-58.8	-34.9	0	0	0	113.6	F97	F97-D99 PolarHBondContact O-N 3.33Å
100	L	97.5	Very high	97.9	Very high	92 Å²	92	62 Å²	62	48%	0.482	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-17.2	173.3	-57	177.4	0	0	0	112.1	F97 Y98 E133 L134	F97-L100 HydrophobicContact CD1-CD1 4.06Å; F97-L100 WeakPolarHBondContact O-CB 3.49Å; F97-L100 PolarHBondContact O-N 3.23Å; F97-L100 VanDerWaalsContact O-N 3.12Å; Y98-L100 PolarHBondContact O-N 3.33Å; L100-E133 HydrophobicContact CD1-CB 4.29Å; L100-L134 HydrophobicContact CB-CD2 4.13Å
101	L	98	Very high	97.8	Very high	19 Å²	19	63.6 Å²	63.6	10%	0.099	34%	0.34	C	S	.	.	S	Bend	trans	-79.7	150	176.2	-63.4	172.1	0	0	0	110	I93 Y98 R123 I128 L134	I93-L101 HydrophobicContact CG1-CD1 4.01Å; I93-L101 HydrophobicContact CG2-CD1 4.07Å; Y98-L101 WeakPolarHBondContact O-CB 3.07Å; Y98-L101 PolarHBondContact O-N 3.21Å; Y98-L101 VanDerWaalsContact O-N 3.08Å; L101-R123 HydrophobicContact CD1-CG 4.43Å; L101-I128 HydrophobicContact CD1-CD1 3.83Å; L101-I128 HydrophobicContact CD1-CG1 4.25Å; L101-I128 HydrophobicContact CD2-CG1 4.44Å; L101-I128 HydrophobicContact CD2-CG2 3.83Å; L101-L134 HydrophobicContact CD2-CD1 3.61Å; L101-L134 HydrophobicContact CD2-CD2 3.88Å; L101-L134 HydrophobicContact CD2-CG 4.38Å; L101-L134 HydrophobicContact CG-CD2 4.35Å
102	P	96.9	Very high	97.8	Very high	94 Å²	94	63.7 Å²	63.7	61%	0.61	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-54.9	146.1	162.8	-20.6	32.3	0	0	0	109.9	R123	P102-R123 PolarHBondContact O-NH1 3.33Å; P102-R123 PolarHBondContact O-NH2 3.48Å
103	P	97.6	Very high	97.7	Very high	117 Å²	117	68.4 Å²	68.4	76%	0.76	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-56.5	151.2	173.6	27	-35.1	0	0	0	110	S105	P103-S105 PolarHBondContact O-N 3.41Å
104	A	98.3	Very high	97.6	Very high	18 Å²	18	72.2 Å²	72.2	15%	0.149	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-60.4	140.4	174	0	0	0	0	0	109.8	E108 E109	A104-E108 VanDerWaalsContact CA-OE2 3.29Å; A104-E108 WeakPolarHBondContact CA-OE2 3.38Å; A104-E108 HydrophobicContact CB-CB 4.17Å; A104-E108 HydrophobicContact CB-CG 4.07Å; A104-E108 WeakPolarHBondContact CB-OE2 3.45Å; A104-E109 HydrophobicContact CB-CG 4.01Å; A104-E109 VanDerWaalsContact CB-OE1 3.26Å; A104-E109 WeakPolarHBondContact CB-OE1 3.46Å
105	S	98.5	Very high	97.5	Very high	59 Å²	59	69.6 Å²	69.6	41%	0.413	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-72.4	158	174.1	69.6	0	0	0	0	110.3	P103 G107 E108 E109	P103-S105 PolarHBondContact O-N 3.41Å; S105-G107 VanDerWaalsContact C-N 3.26Å; S105-G107 PolarHBondContact O-N 3.34Å; S105-E108 WeakPolarHBondContact O-CA 3.49Å; S105-E108 WeakPolarHBondContact O-CB 3.42Å; S105-E108 PolarHBondContact O-N 3.16Å; S105-E108 PolarHBondContact OG-N 3.14Å; S105-E109 PolarHBondContact O-N 2.56Å
106	E	98.5	Very high	97.4	Very high	165 Å²	165	67.4 Å²	67.4	77%	0.771	37%	0.368	S	S	*	.	H	α-helix	trans	-50.5	-46.1	174.5	-174	177.9	-172	0	0	112.1	E108 E109 D110	E106-E108 VanDerWaalsContact C-N 3.26Å; E106-E108 PolarHBondContact O-N 2.87Å; E106-E109 PolarHBondContact O-N 2.81Å; E106-E109 VanDerWaalsContact O-N 3.17Å; E106-D110 PolarHBondContact O-N 2.72Å
107	G	98.6	Very high	97.3	Very high	26 Å²	26	64.9 Å²	64.9	27%	0.268	36%	0.357	S	S	.	.	H	α-helix	trans	-68.7	-20	176.4	0	0	0	0	0	114.8	S105 M111	S105-G107 VanDerWaalsContact C-N 3.26Å; S105-G107 PolarHBondContact O-N 3.34Å; G107-M111 WeakPolarHBondContact O-CG 3.49Å
108	E	98.7	Very high	97.3	Very high	3 Å²	3	68 Å²	68	1%	0.014	37%	0.374	C	S	.	.	H	α-helix	trans	-75.9	-44.4	170.1	-177	-177.8	-179.9	0	0	110.4	L84 A104 S105 E106 M111 L112 R123 L124 Q127	L84-E108 HydrophobicContact CD1-CB 4.19Å; A104-E108 VanDerWaalsContact CA-OE2 3.29Å; A104-E108 WeakPolarHBondContact CA-OE2 3.38Å; A104-E108 HydrophobicContact CB-CB 4.17Å; A104-E108 HydrophobicContact CB-CG 4.07Å; A104-E108 WeakPolarHBondContact CB-OE2 3.45Å; S105-E108 WeakPolarHBondContact O-CA 3.49Å; S105-E108 WeakPolarHBondContact O-CB 3.42Å; S105-E108 PolarHBondContact O-N 3.16Å; S105-E108 PolarHBondContact OG-N 3.14Å; E106-E108 VanDerWaalsContact C-N 3.26Å; E106-E108 PolarHBondContact O-N 2.87Å; E108-M111 PolarHBondContact O-N 2.98Å; E108-M111 VanDerWaalsContact O-N 3.16Å; E108-L112 HydrophobicContact CG-CD1 3.99Å; E108-L112 HydrophobicContact CG-CG 4.35Å; E108-L112 WeakPolarHBondContact O-CG 3.38Å; E108-L112 PolarHBondContact O-N 3.28Å; E108-R123 IonicContact OE1-CZ 3.66Å; E108-R123 IonicContact OE1-NE 2.81Å; E108-R123 PolarHBondContact OE1-NE 3.16Å; E108-R123 IonicContact OE1-NH2 3.62Å; E108-R123 IonicContact OE2-CZ 3.52Å; E108-R123 IonicContact OE2-NE 3.4Å; E108-R123 PolarHBondContact OE2-NE 3.16Å; E108-R123 IonicContact OE2-NH2 2.84Å; E108-R123 PolarHBondContact OE2-NH2 3.3Å; E108-L124 HydrophobicContact CG-CB 4.12Å; E108-L124 HydrophobicContact CG-CD1 3.98Å; E108-L124 HydrophobicContact CG-CG 3.88Å; E108-L124 PolarHBondContact OE1-N 3.09Å; E108-Q127 HydrophobicContact CG-CG 4.27Å
109	E	98.6	Very high	97.3	Very high	79 Å²	79	70.5 Å²	70.5	37%	0.369	39%	0.387	S	S	.	.	H	α-helix	trans	-61	-43.6	176.2	-64.9	-67.6	-179.1	0	0	111.5	A104 S105 E106 M111 L112 D113	A104-E109 HydrophobicContact CB-CG 4.01Å; A104-E109 VanDerWaalsContact CB-OE1 3.26Å; A104-E109 WeakPolarHBondContact CB-OE1 3.46Å; S105-E109 PolarHBondContact O-N 2.56Å; E106-E109 PolarHBondContact O-N 2.81Å; E106-E109 VanDerWaalsContact O-N 3.17Å; E109-M111 PolarHBondContact O-N 3.26Å; E109-M111 VanDerWaalsContact O-N 3.16Å; E109-L112 PolarHBondContact O-N 3.1Å; E109-D113 PolarHBondContact O-N 3.27Å
110	D	98.2	Very high	97.3	Very high	88 Å²	88	73.3 Å²	73.3	47%	0.471	40%	0.396	S	S	.	.	H	α-helix	trans	-54.6	-38	174.8	-72.6	-20.4	0	0	0	112.3	E106	E106-D110 PolarHBondContact O-N 2.72Å
111	M	97.5	Very high	97.3	Very high	40 Å²	40	70.3 Å²	70.3	20%	0.197	38%	0.381	C	S	.	.	H	α-helix	trans	-80	-37	177.3	-67.5	-59.1	97.1	0	0	111.8	L84 S87 G107 E108 E109 D113 L114 L124	L84-M111 HydrophobicContact CD1-CG 4.36Å; S87-M111 VanDerWaalsContact CB-O 3.28Å; S87-M111 WeakPolarHBondContact CB-O 3.08Å; G107-M111 WeakPolarHBondContact O-CG 3.49Å; E108-M111 PolarHBondContact O-N 2.98Å; E108-M111 VanDerWaalsContact O-N 3.16Å; E109-M111 PolarHBondContact O-N 3.26Å; E109-M111 VanDerWaalsContact O-N 3.16Å; M111-D113 VanDerWaalsContact C-N 3.28Å; M111-D113 PolarHBondContact O-N 2.87Å; M111-L114 HydrophobicContact CE-CD1 4.09Å; M111-L114 WeakPolarHBondContact O-CB 3.35Å; M111-L114 PolarHBondContact O-N 3.48Å; M111-L114 VanDerWaalsContact O-N 3.09Å; M111-L114 HydrophobicContact SD-CD1 4.37Å; M111-L124 HydrophobicContact CB-CD1 3.79Å
112	L	98.4	Very high	97.3	Very high	1 Å²	1	69.6 Å²	69.6	1%	0.005	38%	0.378	C	S	.	.	H	α-helix	trans	-63.3	-32.5	176.3	-78.1	171.5	0	0	0	112.3	E108 E109 L114 A115 L118 L124	E108-L112 HydrophobicContact CG-CD1 3.99Å; E108-L112 HydrophobicContact CG-CG 4.35Å; E108-L112 WeakPolarHBondContact O-CG 3.38Å; E108-L112 PolarHBondContact O-N 3.28Å; E109-L112 PolarHBondContact O-N 3.1Å; L112-L114 PolarHBondContact O-N 3.06Å; L112-L114 VanDerWaalsContact O-N 3.15Å; L112-A115 WeakPolarHBondContact O-CA 3.49Å; L112-A115 WeakPolarHBondContact O-CB 3.4Å; L112-A115 PolarHBondContact O-N 3.19Å; L112-L118 HydrophobicContact CB-CD1 3.95Å; L112-L118 HydrophobicContact CD2-CD1 4.21Å; L112-L124 HydrophobicContact CD2-CD2 3.6Å; L112-L124 HydrophobicContact CD2-CG 3.93Å; L112-L124 HydrophobicContact CG-CD2 4.17Å; L112-L124 HydrophobicContact CG-CG 4.04Å
113	D	97	Very high	97.4	Very high	118 Å²	118	65.6 Å²	65.6	63%	0.631	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-25.8	172.6	-81.7	-14	0	0	0	113	E109 M111	E109-D113 PolarHBondContact O-N 3.27Å; M111-D113 VanDerWaalsContact C-N 3.28Å; M111-D113 PolarHBondContact O-N 2.87Å
114	L	95.2	Very high	97.5	Very high	82 Å²	82	60 Å²	60	43%	0.429	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-7.6	175.5	-52.7	178.8	0	0	0	112.9	M111 L112 F148	M111-L114 HydrophobicContact CE-CD1 4.09Å; M111-L114 WeakPolarHBondContact O-CB 3.35Å; M111-L114 PolarHBondContact O-N 3.48Å; M111-L114 VanDerWaalsContact O-N 3.09Å; M111-L114 HydrophobicContact SD-CD1 4.37Å; L112-L114 PolarHBondContact O-N 3.06Å; L112-L114 VanDerWaalsContact O-N 3.15Å; L114-F148 HydrophobicContact CB-CE2 4.21Å; L114-F148 HydrophobicContact CB-CZ 4.35Å; L114-F148 HydrophobicContact CD1-CE2 4.35Å
115	A	96.3	Very high	97.5	Very high	15 Å²	15	59.1 Å²	59.1	12%	0.124	31%	0.307	C	S	.	.	S	Bend	trans	-73.6	144.7	-178.2	0	0	0	0	0	111.8	H90 L112	H90-A115 HydrophobicContact CB-CB 4.38Å; L112-A115 WeakPolarHBondContact O-CA 3.49Å; L112-A115 WeakPolarHBondContact O-CB 3.4Å; L112-A115 PolarHBondContact O-N 3.19Å
116	V	93	Very high	97.5	Very high	51 Å²	51	56.7 Å²	56.7	31%	0.309	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	141.5	173	-170.8	0	0	0	0	108.7	R146	V116-R146 HydrophobicContact CG2-CB 3.71Å
117	F	94.7	Very high	97.5	Very high	110 Å²	110	52 Å²	52	48%	0.482	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	41	-178.4	-48.3	-64.1	0	0	0	113.5	Y92 K143 A144	Y92-F117 WeakPolarHBondContact CE1-O 3.49Å; Y92-F117 WeakPolarHBondContact OH-CB 3.29Å; Y92-F117 PolarHBondContact OH-O 3.15Å; F117-K143 HydrophobicContact CD2-CB 4.42Å; F117-K143 HydrophobicContact CE2-CB 4.05Å; F117-A144 HydrophobicContact CE2-CB 4.09Å
118	L	97.3	Very high	97.5	Very high	79 Å²	79	50.9 Å²	50.9	41%	0.414	26%	0.255	S	S	.	.			trans	-56.8	139.6	174.9	-171.9	65.4	0	0	0	111.7	L112	L112-L118 HydrophobicContact CB-CD1 3.95Å; L112-L118 HydrophobicContact CD2-CD1 4.21Å
119	Q	97.7	Very high	97.5	Very high	101 Å²	101	55.1 Å²	55.1	47%	0.472	28%	0.276	S	S	.	.			trans	-140.6	162	179.2	-64.2	-178.9	40.1	0	0	109.8	Y92 N121 S122	Y92-Q119 HydrophobicContact CD1-CB 4Å; Y92-Q119 HydrophobicContact CD1-CG 4.23Å; Y92-Q119 HydrophobicContact CE1-CB 3.77Å; Y92-Q119 HydrophobicContact CE1-CG 3.64Å; Y92-Q119 PolarHBondContact OH-NE2 2.98Å; Q119-N121 PolarHBondContact O-N 3.43Å; Q119-N121 VanDerWaalsContact O-N 3.15Å; Q119-S122 PolarHBondContact N-OG 2.89Å; Q119-S122 WeakPolarHBondContact O-CB 3.46Å; Q119-S122 PolarHBondContact O-N 2.97Å; Q119-S122 PolarHBondContact O-OG 3.03Å
120	E	96.7	Very high	97.5	Very high	182 Å²	182	51.4 Å²	51.4	85%	0.85	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-29.6	-177.5	-63.4	179.3	175.9	0	0	114.3	Y98	Y98-E120 PolarHBondContact OH-O 3.07Å
121	N	98	Very high	97.4	Very high	29 Å²	29	49.7 Å²	49.7	16%	0.155	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	20.1	178.3	68.7	-23.2	0	0	0	113.4	Y92 I93 Y98 Q119	Y92-N121 WeakPolarHBondContact CA-O 3.39Å; I93-N121 PolarHBondContact N-O 2.76Å; I93-N121 WeakPolarHBondContact O-CB 3.34Å; I93-N121 PolarHBondContact O-ND2 2.99Å; Y98-N121 HydrophobicContact CD2-CB 4Å; Y98-N121 HydrophobicContact CE2-CB 4.33Å; Y98-N121 HydrophobicContact CG-CB 4.46Å; Q119-N121 PolarHBondContact O-N 3.43Å; Q119-N121 VanDerWaalsContact O-N 3.15Å
122	S	98.7	Very high	97.4	Very high	5 Å²	5	53.5 Å²	53.5	4%	0.035	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	135.7	177.8	-65.4	0	0	0	0	111.4	H90 V91 Y92 Q119	H90-S122 WeakPolarHBondContact NE2-CB 3.37Å; H90-S122 PolarHBondContact NE2-OG 3.43Å; V91-S122 WeakPolarHBondContact O-CA 3.38Å; Y92-S122 WeakPolarHBondContact CD1-OG 3.39Å; Y92-S122 WeakPolarHBondContact CE1-OG 3.13Å; Q119-S122 PolarHBondContact N-OG 2.89Å; Q119-S122 WeakPolarHBondContact O-CB 3.46Å; Q119-S122 PolarHBondContact O-N 2.97Å; Q119-S122 PolarHBondContact O-OG 3.03Å
123	R	98.8	Very high	97.3	Very high	9 Å²	9	59.1 Å²	59.1	3%	0.034	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	157.5	172.4	-66	-60.8	-63.2	-96.7	7.4	111.1	H90 V91 I93 Y98 L101 P102 E108 I128	H90-R123 WeakPolarHBondContact CA-O 3.4Å; V91-R123 PolarHBondContact N-O 3.09Å; V91-R123 PolarHBondContact O-N 2.84Å; I93-R123 HydrophobicContact CG1-CB 4.11Å; I93-R123 HydrophobicContact CG1-CG 3.98Å; Y98-R123 HydrophobicContact CD2-CG 4.37Å; Y98-R123 HydrophobicContact CE2-CG 3.8Å; L101-R123 HydrophobicContact CD1-CG 4.43Å; P102-R123 PolarHBondContact O-NH1 3.33Å; P102-R123 PolarHBondContact O-NH2 3.48Å; E108-R123 IonicContact OE1-CZ 3.66Å; E108-R123 IonicContact OE1-NE 2.81Å; E108-R123 PolarHBondContact OE1-NE 3.16Å; E108-R123 IonicContact OE1-NH2 3.62Å; E108-R123 IonicContact OE2-CZ 3.52Å; E108-R123 IonicContact OE2-NE 3.4Å; E108-R123 PolarHBondContact OE2-NE 3.16Å; E108-R123 IonicContact OE2-NH2 2.84Å; E108-R123 PolarHBondContact OE2-NH2 3.3Å; R123-I128 HydrophobicContact CB-CD1 3.71Å; R123-I128 HydrophobicContact CG-CD1 4.25Å
124	L	98.8	Very high	97.3	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	112.9	166.4	-62.6	-170.6	0	0	0	108.6	L84 H90 E108 M111 L112 C126 Q127	L84-L124 HydrophobicContact CD1-CD1 3.78Å; H90-L124 HydrophobicContact CB-CD2 4.29Å; E108-L124 HydrophobicContact CG-CB 4.12Å; E108-L124 HydrophobicContact CG-CD1 3.98Å; E108-L124 HydrophobicContact CG-CG 3.88Å; E108-L124 PolarHBondContact OE1-N 3.09Å; M111-L124 HydrophobicContact CB-CD1 3.79Å; L112-L124 HydrophobicContact CD2-CD2 3.6Å; L112-L124 HydrophobicContact CD2-CG 3.93Å; L112-L124 HydrophobicContact CG-CD2 4.17Å; L112-L124 HydrophobicContact CG-CG 4.04Å; L124-C126 PolarHBondContact O-N 3.49Å; L124-Q127 HydrophobicContact CB-CG 4.08Å; L124-Q127 PolarHBondContact O-N 2.94Å
125	S	98.7	Very high	97.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-59.4	-20.9	-177.4	57.6	0	0	0	0	113.6	L65 M66 C89 Q127 I128	L65-S125 WeakPolarHBondContact CB-O 3.3Å; M66-S125 WeakPolarHBondContact CB-OG 3.45Å; M66-S125 PolarHBondContact N-O 3.4Å; C89-S125 WeakPolarHBondContact CB-OG 3.07Å; C89-S125 WeakPolarHBondContact O-CB 3.2Å; C89-S125 PolarHBondContact O-N 3.23Å; C89-S125 PolarHBondContact O-OG 3.13Å; S125-Q127 VanDerWaalsContact C-N 3.28Å; S125-Q127 PolarHBondContact O-N 3.11Å; S125-I128 PolarHBondContact O-N 3.03Å
126	C	98.5	Very high	97.5	Very high	7 Å²	7	54.3 Å²	54.3	5%	0.047	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-74	-16.7	174.9	70.6	0	0	0	0	113.9	N64 M66 C89 L124	N64-C126 PolarHBondContact ND2-O 2.89Å; M66-C126 HydrophobicContact CB-CB 4.06Å; M66-C126 HydrophobicContact CE-CB 4.1Å; M66-C126 HydrophobicContact CG-CB 4.47Å; M66-C126 HydrophobicContact SD-CB 3.67Å; C89-C126 HydrophobicContact CB-CB 4.48Å; C89-C126 PolarHBondContact SG-SG 3.24Å; L124-C126 PolarHBondContact O-N 3.49Å
127	Q	98.6	Very high	97.8	Very high	66 Å²	66	51.9 Å²	51.9	31%	0.308	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-94.6	-2	176.8	-57	-50.8	-54.1	0	0	112.7	L84 E108 L124 S125	L84-Q127 HydrophobicContact CD1-CG 3.88Å; E108-Q127 HydrophobicContact CG-CG 4.27Å; L124-Q127 HydrophobicContact CB-CG 4.08Å; L124-Q127 PolarHBondContact O-N 2.94Å; S125-Q127 VanDerWaalsContact C-N 3.28Å; S125-Q127 PolarHBondContact O-N 3.11Å
128	I	98.6	Very high	97.9	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.015	24%	0.24	C	C	.	.			trans	-99	123.7	-179.9	-63.2	171.5	0	0	0	110.2	L65 I93 L101 R123 S125 L134	L65-I128 HydrophobicContact CB-CB 4.04Å; L65-I128 HydrophobicContact CB-CG2 4.05Å; L65-I128 HydrophobicContact CD2-CB 3.98Å; L65-I128 HydrophobicContact CD2-CD1 3.9Å; L65-I128 HydrophobicContact CD2-CG2 3.98Å; L65-I128 PolarHBondContact N-O 3.09Å; I93-I128 HydrophobicContact CD1-CD1 3.69Å; I93-I128 HydrophobicContact CG1-CD1 4.02Å; L101-I128 HydrophobicContact CD1-CD1 3.83Å; L101-I128 HydrophobicContact CD1-CG1 4.25Å; L101-I128 HydrophobicContact CD2-CG1 4.44Å; L101-I128 HydrophobicContact CD2-CG2 3.83Å; R123-I128 HydrophobicContact CB-CD1 3.71Å; R123-I128 HydrophobicContact CG-CD1 4.25Å; S125-I128 PolarHBondContact O-N 3.03Å; I128-L134 HydrophobicContact CG2-CD1 4.4Å
129	M	98.1	Very high	98	Very high	92 Å²	92	43.4 Å²	43.4	45%	0.453	22%	0.22	S	C	.	.	B	Isolated β-bridge	trans	-104.2	133.1	171.2	-58.4	-54.8	-61.6	0	0	109.4	G62 N64 T131	G62-M129 WeakPolarHBondContact O-CE 3.48Å; N64-M129 HydrophobicContact CB-CE 4.32Å; N64-M129 HydrophobicContact CB-SD 4.04Å; M129-T131 PolarHBondContact O-N 2.89Å
130	L	98.2	Very high	98	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.01	21%	0.214	C	C	.	.			trans	-67.7	131.6	-179.6	-66.8	-168.6	0	0	0	111.6	V43 V45 V61 G62 D63 L65 L68 L134 M137	V43-L130 HydrophobicContact CB-CD1 4.12Å; V43-L130 HydrophobicContact CG1-CB 4.49Å; V43-L130 HydrophobicContact CG1-CD1 4.2Å; V43-L130 HydrophobicContact CG1-CD2 4.46Å; V43-L130 HydrophobicContact CG2-CB 4.45Å; V45-L130 HydrophobicContact CG2-CD1 4.03Å; V45-L130 HydrophobicContact CG2-CD2 4.02Å; V61-L130 CarbonylContact C-O 3.6Å; V61-L130 WeakPolarHBondContact CA-O 3.39Å; G62-L130 PolarHBondContact N-O 3.19Å; D63-L130 HydrophobicContact CB-CD1 4.32Å; D63-L130 PolarHBondContact O-N 2.97Å; L65-L130 HydrophobicContact CD1-CD2 4.03Å; L68-L130 HydrophobicContact CD2-CD1 3.49Å; L68-L130 VanDerWaalsContact CD2-CD1 3.49Å; L130-L134 HydrophobicContact CD2-CD1 4.48Å; L130-M137 HydrophobicContact CD2-CE 4.4Å
131	T	97.3	Very high	98.1	Very high	51 Å²	51	33 Å²	33	31%	0.313	18%	0.175	S	C	.	.			trans	-122.2	169.8	171.5	76.8	0	0	0	0	109.8	V43 M129 E133 L134	V43-T131 WeakPolarHBondContact CG2-O 3.44Å; M129-T131 PolarHBondContact O-N 2.89Å; T131-E133 WeakPolarHBondContact CB-OE2 3.5Å; T131-E133 PolarHBondContact O-N 3.47Å; T131-E133 PolarHBondContact OG1-OE2 3.48Å; T131-L134 PolarHBondContact O-N 3.18Å
132	K	96.6	Very high	98	Very high	121 Å²	121	31.8 Å²	31.8	53%	0.526	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-64.8	-31.5	-177.2	-65.5	-175.7	-176.2	-171.1	0	112.1	S40 V61 L134 N135	S40-K132 WeakPolarHBondContact O-CE 3.11Å; S40-K132 PolarHBondContact O-NZ 3.45Å; V61-K132 HydrophobicContact CG2-CG 3.57Å; K132-L134 PolarHBondContact O-N 3.38Å; K132-N135 WeakPolarHBondContact O-CB 3.1Å; K132-N135 PolarHBondContact O-N 3.36Å
133	E	96.8	Very high	97.8	Very high	119 Å²	119	39.6 Å²	39.6	56%	0.556	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-68.9	-22	-178.6	-57.2	71.7	-151.8	0	0	111.8	L100 T131 N135	L100-E133 HydrophobicContact CD1-CB 4.29Å; T131-E133 WeakPolarHBondContact CB-OE2 3.5Å; T131-E133 PolarHBondContact O-N 3.47Å; T131-E133 PolarHBondContact OG1-OE2 3.48Å; E133-N135 VanDerWaalsContact C-N 3.26Å; E133-N135 PolarHBondContact O-N 3.21Å
134	L	97.7	Very high	97.5	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-85.1	6.1	177.6	-55.9	178.6	0	0	0	113.2	V43 F97 L100 L101 I128 L130 T131 K132 G136 M137	V43-L134 HydrophobicContact CG1-CB 4.38Å; F97-L134 HydrophobicContact CB-CD2 4.31Å; F97-L134 HydrophobicContact CD1-CD2 4.41Å; L100-L134 HydrophobicContact CB-CD2 4.13Å; L101-L134 HydrophobicContact CD2-CD1 3.61Å; L101-L134 HydrophobicContact CD2-CD2 3.88Å; L101-L134 HydrophobicContact CD2-CG 4.38Å; L101-L134 HydrophobicContact CG-CD2 4.35Å; I128-L134 HydrophobicContact CG2-CD1 4.4Å; L130-L134 HydrophobicContact CD2-CD1 4.48Å; T131-L134 PolarHBondContact O-N 3.18Å; K132-L134 PolarHBondContact O-N 3.38Å; L134-G136 PolarHBondContact O-N 2.83Å; L134-M137 HydrophobicContact CB-CB 4.47Å; L134-M137 HydrophobicContact CB-CE 4.19Å; L134-M137 HydrophobicContact CB-SD 4.4Å; L134-M137 HydrophobicContact CD1-CE 4.07Å; L134-M137 HydrophobicContact CD2-CE 4.5Å; L134-M137 HydrophobicContact CD2-SD 3.97Å; L134-M137 HydrophobicContact CG-CE 4.48Å; L134-M137 WeakPolarHBondContact O-CB 3.29Å; L134-M137 PolarHBondContact O-N 2.75Å
135	N	97.8	Very high	97.1	Very high	79 Å²	79	42.3 Å²	42.3	42%	0.422	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	124	179.3	-177	49.3	0	0	0	111.5	V43 N44 K132 E133	V43-N135 HydrophobicContact CG1-CB 4.33Å; N44-N135 WeakPolarHBondContact CB-OD1 3.28Å; N44-N135 PolarHBondContact N-OD1 2.93Å; N44-N135 PolarHBondContact ND2-OD1 3.45Å; K132-N135 WeakPolarHBondContact O-CB 3.1Å; K132-N135 PolarHBondContact O-N 3.36Å; E133-N135 VanDerWaalsContact C-N 3.26Å; E133-N135 PolarHBondContact O-N 3.21Å
136	G	97.6	Very high	96.5	Very high	34 Å²	34	47.8 Å²	47.8	35%	0.351	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.2	9.4	-174.2	0	0	0	0	0	114.1	N44 F97 L134	N44-G136 WeakPolarHBondContact O-CA 3.34Å; N44-G136 PolarHBondContact O-N 2.75Å; F97-G136 VanDerWaalsContact CZ-C 3.47Å; F97-G136 WeakPolarHBondContact CZ-O 3.19Å; L134-G136 PolarHBondContact O-N 2.83Å
137	M	97.7	Very high	96	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	139.2	178.5	-178.1	164	67.3	0	0	111.6	N44 R46 I93 F97 L130 L134 I139	N44-M137 PolarHBondContact O-N 3.47Å; R46-M137 PolarHBondContact N-O 2.85Å; I93-M137 HydrophobicContact CD1-SD 4.44Å; I93-M137 HydrophobicContact CG2-CG 4.36Å; I93-M137 HydrophobicContact CG2-SD 3.66Å; F97-M137 HydrophobicContact CB-CB 4.32Å; F97-M137 HydrophobicContact CB-CG 3.8Å; F97-M137 HydrophobicContact CB-SD 3.67Å; F97-M137 HydrophobicContact CD1-CB 3.91Å; F97-M137 HydrophobicContact CD1-CG 4.33Å; F97-M137 HydrophobicContact CD2-CB 4.04Å; F97-M137 HydrophobicContact CD2-CG 4Å; F97-M137 HydrophobicContact CE1-CB 4.16Å; F97-M137 HydrophobicContact CE2-CB 4.3Å; F97-M137 HydrophobicContact CG-CB 3.82Å; F97-M137 HydrophobicContact CG-CG 3.78Å; F97-M137 HydrophobicContact CG-SD 4.23Å; F97-M137 HydrophobicContact CZ-CB 4.34Å; L130-M137 HydrophobicContact CD2-CE 4.4Å; L134-M137 HydrophobicContact CB-CB 4.47Å; L134-M137 HydrophobicContact CB-CE 4.19Å; L134-M137 HydrophobicContact CB-SD 4.4Å; L134-M137 HydrophobicContact CD1-CE 4.07Å; L134-M137 HydrophobicContact CD2-CE 4.5Å; L134-M137 HydrophobicContact CD2-SD 3.97Å; L134-M137 HydrophobicContact CG-CE 4.48Å; L134-M137 WeakPolarHBondContact O-CB 3.29Å; L134-M137 PolarHBondContact O-N 2.75Å; M137-I139 HydrophobicContact CE-CD1 3.72Å; M137-I139 HydrophobicContact CE-CG1 4.24Å; M137-I139 HydrophobicContact CG-CG1 4.04Å
138	T	98.4	Very high	94.8	Very high	12 Å²	12	47.8 Å²	47.8	7%	0.074	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	135.6	172.8	-56.1	0	0	0	0	109.5	R46 V48 D94	R46-T138 HydrophobicContact CB-CG2 4.47Å; R46-T138 PolarHBondContact NH1-OG1 2.84Å; R46-T138 PolarHBondContact NH2-OG1 3.03Å; R46-T138 CarbonylContact O-C 3.46Å; R46-T138 VanDerWaalsContact O-CA 3.3Å; R46-T138 WeakPolarHBondContact O-CA 3.32Å; V48-T138 HydrophobicContact CG2-CG2 3.94Å; D94-T138 WeakPolarHBondContact CB-O 3.4Å; D94-T138 PolarHBondContact N-O 3.37Å; D94-T138 VanDerWaalsContact N-O 3.08Å
139	I	98.3	Very high	93.2	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	132.1	-174.9	-53.5	-175	0	0	0	107.4	V45 R46 F47 V48 L65 V91 Y92 I93 M137	V45-I139 HydrophobicContact CG1-CD1 3.58Å; V45-I139 HydrophobicContact CG1-CG1 4.02Å; R46-I139 PolarHBondContact O-N 2.77Å; F47-I139 CarbonylContact C-O 3.54Å; F47-I139 WeakPolarHBondContact CA-O 3.4Å; F47-I139 HydrophobicContact CD1-CB 4.06Å; F47-I139 HydrophobicContact CD1-CD1 4.49Å; F47-I139 HydrophobicContact CD1-CG2 4.25Å; F47-I139 HydrophobicContact CE1-CB 4.3Å; F47-I139 HydrophobicContact CE1-CD1 3.93Å; F47-I139 HydrophobicContact CE1-CG2 4.37Å; F47-I139 HydrophobicContact CZ-CD1 4.36Å; V48-I139 PolarHBondContact N-O 3.15Å; L65-I139 HydrophobicContact CD1-CD1 3.32Å; L65-I139 HydrophobicContact CD2-CD1 3.36Å; L65-I139 HydrophobicContact CG-CD1 3.85Å; V91-I139 HydrophobicContact CB-CG2 3.54Å; V91-I139 HydrophobicContact CG1-CG2 3.87Å; V91-I139 HydrophobicContact CG2-CG2 3.76Å; Y92-I139 WeakPolarHBondContact O-CA 3.48Å; I93-I139 HydrophobicContact CD1-CD1 4.16Å; I93-I139 HydrophobicContact CD1-CG1 4.08Å; I93-I139 HydrophobicContact CD1-CG2 4.21Å; M137-I139 HydrophobicContact CE-CD1 3.72Å; M137-I139 HydrophobicContact CE-CG1 4.24Å; M137-I139 HydrophobicContact CG-CG1 4.04Å
140	T	98.6	Very high	92	Very high	55 Å²	55	57.6 Å²	57.6	34%	0.337	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	131.4	179.5	-55.3	0	0	0	0	109.6	V48 Y92	V48-T140 HydrophobicContact CB-CG2 4.14Å; V48-T140 HydrophobicContact CG1-CG2 4.28Å; Y92-T140 HydrophobicContact CD2-CG2 4.36Å; Y92-T140 PolarHBondContact N-O 3.1Å; Y92-T140 PolarHBondContact O-N 3.21Å
141	L	98.3	Very high	90.8	Very high	9 Å²	9	62.5 Å²	62.5	5%	0.047	31%	0.314	C	S	.	.			trans	-77.5	140.4	174.4	-86.4	62	0	0	0	110.1	F47 V48 R50 V74 E75 I76 V91	F47-L141 HydrophobicContact CD1-CD1 4.35Å; V48-L141 PolarHBondContact O-N 2.89Å; R50-L141 HydrophobicContact CG-CB 4.19Å; V74-L141 HydrophobicContact CG1-CD1 4.03Å; V74-L141 HydrophobicContact CG1-CD2 4.08Å; E75-L141 WeakPolarHBondContact O-CD2 3.39Å; I76-L141 HydrophobicContact CD1-CD1 4.24Å; I76-L141 HydrophobicContact CG1-CD1 4.06Å; I76-L141 HydrophobicContact CG1-CD2 3.98Å; I76-L141 HydrophobicContact CG1-CG 4.1Å; V91-L141 HydrophobicContact CG1-CD1 4.29Å
142	P	97	Very high	89.2	Confident	3 Å²	3	63.4 Å²	63.4	2%	0.019	33%	0.333	C	S	.	.			trans	-66	153.3	171.3	31	-36.6	0	0	0	110.4	R50 H90 Y92 A144 T145	R50-P142 WeakPolarHBondContact CG-O 3.35Å; R50-P142 PolarHBondContact NE-O 3.03Å; H90-P142 HydrophobicContact CB-CG 4.47Å; H90-P142 WeakPolarHBondContact O-CD 3.43Å; H90-P142 WeakPolarHBondContact O-CG 3.39Å; Y92-P142 HydrophobicContact CE2-CB 3.93Å; P142-A144 PolarHBondContact O-N 3.45Å; P142-A144 VanDerWaalsContact O-N 3.14Å; P142-T145 HydrophobicContact CG-CG2 4.04Å
143	K	94.2	Very high	87.7	Confident	170 Å²	170	62.2 Å²	62.2	74%	0.739	33%	0.329	S	S	*	.	S	Bend	trans	-59.1	-28.4	-178.3	-68.8	-176.1	179.1	178.6	0	113.4	F117	F117-K143 HydrophobicContact CD2-CB 4.42Å; F117-K143 HydrophobicContact CE2-CB 4.05Å
144	A	91.2	Very high	86.3	Confident	39 Å²	39	63.6 Å²	63.6	32%	0.322	34%	0.339	S	S	.	.			trans	-151.5	156.4	174	0	0	0	0	0	110.1	F117 P142	F117-A144 HydrophobicContact CE2-CB 4.09Å; P142-A144 PolarHBondContact O-N 3.45Å; P142-A144 VanDerWaalsContact O-N 3.14Å
145	T	90.8	Very high	84.8	Confident	26 Å²	26	67.5 Å²	67.5	16%	0.16	36%	0.364	C	S	.	.			trans	-117.4	160.2	168	47.7	0	0	0	0	108.3	R50 E77 P142	R50-T145 PolarHBondContact NH2-OG1 3.48Å; R50-T145 VanDerWaalsContact NH2-OG1 3.09Å; E77-T145 PolarHBondContact OE2-OG1 2.75Å; P142-T145 HydrophobicContact CG-CG2 4.04Å
146	R	87.2	Confident	83.5	Confident	115 Å²	115	72.6 Å²	72.6	43%	0.434	39%	0.385	S	S	.	.			trans	-118.4	121.9	176.3	-179.9	178.7	179.7	152.4	2	109.8	T88 V116 F148	T88-R146 WeakPolarHBondContact CG2-O 3.24Å; V116-R146 HydrophobicContact CG2-CB 3.71Å; R146-F148 VanDerWaalsContact NE-CE1 3.31Å
147	N	86.4	Confident	82.3	Confident	14 Å²	14	77 Å²	77	8%	0.075	41%	0.408	C	S	.	.			trans	-113	100.6	175.1	-175.7	-16.5	0	0	0	110.2	E77 A79 T88 Y149 V150 D151	E77-N147 VanDerWaalsContact OE1-CB 3.24Å; E77-N147 WeakPolarHBondContact OE1-CB 3.24Å; E77-N147 PolarHBondContact OE1-ND2 3.16Å; A79-N147 WeakPolarHBondContact CB-ND2 3.24Å; T88-N147 HydrophobicContact CG2-CB 3.73Å; N147-Y149 PolarHBondContact O-N 2.9Å; N147-Y149 VanDerWaalsContact O-N 3.14Å; N147-Y149 PolarHBondContact OD1-N 2.71Å; N147-Y149 VanDerWaalsContact OD1-N 3.16Å; N147-V150 HydrophobicContact CB-CG2 3.66Å; N147-V150 VanDerWaalsContact CG-CG2 3.48Å; N147-V150 PolarHBondContact O-N 3.14Å; N147-D151 PolarHBondContact N-OD2 3.41Å; N147-D151 VanDerWaalsContact O-CB 3.24Å; N147-D151 WeakPolarHBondContact O-CB 3.41Å; N147-D151 VanDerWaalsContact O-CG 3.23Å; N147-D151 PolarHBondContact O-N 3.21Å
148	F	73.7	Confident	80.6	Confident	59 Å²	59	89 Å²	89	26%	0.259	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-36.8	-177	-64.7	-84.4	0	0	0	113.7	L114 R146 V150 H153	L114-F148 HydrophobicContact CB-CE2 4.21Å; L114-F148 HydrophobicContact CB-CZ 4.35Å; L114-F148 HydrophobicContact CD1-CE2 4.35Å; R146-F148 VanDerWaalsContact NE-CE1 3.31Å; F148-V150 VanDerWaalsContact C-N 3.31Å; F148-V150 PolarHBondContact O-N 3.3Å; F148-H153 HydrophobicContact CB-CB 4.26Å; F148-H153 HydrophobicContact CD1-CB 4.23Å; F148-H153 AromaticContact CD1-CD2 3.98Å; F148-H153 VanDerWaalsContact O-CB 3.3Å; F148-H153 WeakPolarHBondContact O-CB 3.3Å; F148-H153 PolarHBondContact O-N 3.38Å
149	Y	65.4	Low	79.7	Confident	201 Å²	201	92.9 Å²	92.9	79%	0.788	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-18	-173.4	-69.9	-79.5	0	0	0	114.1	N147	N147-Y149 PolarHBondContact O-N 2.9Å; N147-Y149 VanDerWaalsContact O-N 3.14Å; N147-Y149 PolarHBondContact OD1-N 2.71Å; N147-Y149 VanDerWaalsContact OD1-N 3.16Å
150	V	73.4	Confident	78.7	Confident	101 Å²	101	97.8 Å²	97.8	61%	0.612	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121	-25.7	-177.7	-56	0	0	0	0	113.2	N147 F148 G152	N147-V150 HydrophobicContact CB-CG2 3.66Å; N147-V150 VanDerWaalsContact CG-CG2 3.48Å; N147-V150 PolarHBondContact O-N 3.14Å; F148-V150 VanDerWaalsContact C-N 3.31Å; F148-V150 PolarHBondContact O-N 3.3Å; V150-G152 PolarHBondContact O-N 3.05Å
151	D	72.6	Confident	77.6	Confident	105 Å²	105	100.2 Å²	100.2	56%	0.561	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	17.6	-178.4	-62.9	-24.7	0	0	0	113.6	N147	N147-D151 PolarHBondContact N-OD2 3.41Å; N147-D151 VanDerWaalsContact O-CB 3.24Å; N147-D151 WeakPolarHBondContact O-CB 3.41Å; N147-D151 VanDerWaalsContact O-CG 3.23Å; N147-D151 PolarHBondContact O-N 3.21Å
152	G	64.4	Low	76.4	Confident	69 Å²	69	105.5 Å²	105.5	71%	0.711	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.9	16.9	173.8	0	0	0	0	0	115.7	V150	V150-G152 PolarHBondContact O-N 3.05Å
153	H	64.2	Low	75.1	Confident	97 Å²	97	111.9 Å²	111.9	45%	0.449	58%	0.579	S	S	.	*			trans	-83.4	118.2	171.8	-170.3	68.6	0	0	0	110.6	F148 P155	F148-H153 HydrophobicContact CB-CB 4.26Å; F148-H153 HydrophobicContact CD1-CB 4.23Å; F148-H153 AromaticContact CD1-CD2 3.98Å; F148-H153 VanDerWaalsContact O-CB 3.3Å; F148-H153 WeakPolarHBondContact O-CB 3.3Å; F148-H153 PolarHBondContact O-N 3.38Å; H153-P155 WeakPolarHBondContact O-CD 3.35Å
154	I	68	Low	73.8	Confident	147 Å²	147	108.1 Å²	108.1	75%	0.754	57%	0.568	S	S	*	*			trans	-93.4	108.6	172.2	-58	173.5	0	0	0	107.3	Q156	I154-Q156 PolarHBondContact O-N 3.42Å
155	P	66.6	Low	72.6	Confident	82 Å²	82	113 Å²	113	53%	0.532	59%	0.586	S	S	.	*	P	Polyproline II helix	trans	-64.7	135.1	175.5	26.1	-32.1	0	0	0	109.8	H153	H153-P155 WeakPolarHBondContact O-CD 3.35Å
156	Q	70	Confident	71.2	Confident	186 Å²	186	119.7 Å²	119.7	87%	0.869	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-72.6	135.3	173.7	-65.3	-173.5	13	0	0	109.3	I154 H158	I154-Q156 PolarHBondContact O-N 3.42Å; Q156-H158 PolarHBondContact O-N 3.48Å
157	P	71.6	Confident	69.9	Low	126 Å²	126	120.1 Å²	120.1	82%	0.818	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-59.1	134.1	169.7	-15.5	27.9	0	0	0	109.3
158	H	62.4	Low	68.4	Low	254 Å²	254	129.7 Å²	129.7	100%	1.176	69%	0.685	S	S	*	*			trans	-73.9	0	167	55.8	45.5	0	0	0	111.1	Q156	Q156-H158 PolarHBondContact O-N 3.48Å

Retrieved 158 of 158 residues in 28.8 ms (Link to these results)

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