A0A077ZNC8_TRITR Loading...

DLH domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZNC8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 271 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.2	Very low	65.5	Low	237 Å²	237	87.5 Å²	87.5	100%	1.167	52%	0.522	S	S	*	.				0	115.9	0	-71	179.2	-171.4	0	0	106.8	T3	M1-T3 PolarHBondContact O-N 3.36Å; M1-T3 VanDerWaalsContact O-N 3.15Å
2	A	36.3	Very low	68.1	Low	100 Å²	100	80.7 Å²	80.7	83%	0.826	48%	0.483	S	S	*	.			trans	-73.7	102.1	171.6	0	0	0	0	0	106.8	T4	A2-T4 VanDerWaalsContact C-N 3.34Å; A2-T4 PolarHBondContact O-N 2.82Å
3	T	40.6	Very low	70.2	Confident	123 Å²	123	74.5 Å²	74.5	76%	0.755	45%	0.446	S	S	*	.			trans	-59.9	104.7	162.2	31.6	0	0	0	0	105.9	M1 Q5	M1-T3 PolarHBondContact O-N 3.36Å; M1-T3 VanDerWaalsContact O-N 3.15Å; T3-Q5 VanDerWaalsContact C-N 3.3Å; T3-Q5 PolarHBondContact O-N 3.18Å
4	T	41.7	Very low	71.7	Confident	126 Å²	126	73.7 Å²	73.7	77%	0.773	45%	0.446	S	S	*	.			trans	-54.3	103.2	164.7	39.8	0	0	0	0	106	A2 Q6	A2-T4 VanDerWaalsContact C-N 3.34Å; A2-T4 PolarHBondContact O-N 2.82Å; T4-Q6 PolarHBondContact O-N 2.97Å
5	Q	48.1	Very low	73.1	Confident	109 Å²	109	75.3 Å²	75.3	51%	0.509	46%	0.458	S	S	.	.			trans	-56.9	109.7	173.3	-154	171.1	14.2	0	0	105	T3 S7	T3-Q5 VanDerWaalsContact C-N 3.3Å; T3-Q5 PolarHBondContact O-N 3.18Å; Q5-S7 PolarHBondContact O-N 3.14Å
6	Q	59.2	Low	74.4	Confident	86 Å²	86	73.3 Å²	73.3	40%	0.402	44%	0.444	S	S	.	.			trans	-59.5	126.4	174.9	-72.7	-173.2	1.3	0	0	106.5	T4 G8 F9 L16	T4-Q6 PolarHBondContact O-N 2.97Å; Q6-G8 PolarHBondContact O-N 3.08Å; Q6-F9 HydrophobicContact CB-CD2 4.25Å; Q6-F9 HydrophobicContact CB-CE2 4.41Å; Q6-L16 HydrophobicContact CB-CD1 3.99Å
7	S	78.6	Confident	75.6	Confident	110 Å²	110	70.1 Å²	70.1	77%	0.769	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	134.4	-169.7	55.1	0	0	0	0	111	Q5	Q5-S7 PolarHBondContact O-N 3.14Å
8	G	92.1	Very high	76.6	Confident	27 Å²	27	73.3 Å²	73.3	28%	0.278	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	99.7	-3.3	171.8	0	0	0	0	0	115.9	Q6 H69 E70	Q6-G8 PolarHBondContact O-N 3.08Å; G8-H69 CarbonylContact O-C 3.54Å; G8-H69 WeakPolarHBondContact O-CA 3.39Å; G8-H69 VanDerWaalsContact O-CB 3.26Å; G8-H69 WeakPolarHBondContact O-CB 3.46Å; G8-E70 PolarHBondContact O-N 2.98Å
9	F	96.2	Very high	77.6	Confident	10 Å²	10	72.7 Å²	72.7	4%	0.044	45%	0.449	C	S	.	.	S	Bend	trans	-91.6	136.9	169.5	-70	-87.1	0	0	0	111.6	Q6 L16 I20 H69 E70 H71 Y242	Q6-F9 HydrophobicContact CB-CD2 4.25Å; Q6-F9 HydrophobicContact CB-CE2 4.41Å; F9-L16 HydrophobicContact CB-CD1 4.1Å; F9-L16 HydrophobicContact CB-CD2 4.03Å; F9-L16 HydrophobicContact CD1-CD2 3.91Å; F9-L16 HydrophobicContact CD2-CD1 3.68Å; F9-L16 HydrophobicContact CD2-CD2 4.39Å; F9-L16 HydrophobicContact CE2-CD1 4.28Å; F9-L16 HydrophobicContact CG-CD1 3.9Å; F9-L16 HydrophobicContact CG-CD2 3.85Å; F9-I20 HydrophobicContact CE2-CD1 4.09Å; F9-I20 HydrophobicContact CZ-CD1 4.16Å; F9-I20 HydrophobicContact CZ-CG1 4.38Å; F9-I20 HydrophobicContact CZ-CG2 4.24Å; F9-H69 AromaticContact CD1-CE1 3.5Å; F9-H69 AromaticContact CD1-ND1 3.18Å; F9-H69 WeakPolarHBondContact CD1-ND1 3.19Å; F9-H69 AromaticContact CE1-CE1 3.73Å; F9-H69 AromaticContact CE1-ND1 3.63Å; F9-E70 HydrophobicContact CD1-CB 4.32Å; F9-E70 HydrophobicContact CD2-CB 3.92Å; F9-E70 HydrophobicContact CD2-CG 4.49Å; F9-E70 HydrophobicContact CE1-CB 4.06Å; F9-E70 HydrophobicContact CE2-CB 3.67Å; F9-E70 HydrophobicContact CE2-CG 3.86Å; F9-E70 HydrophobicContact CG-CB 4.24Å; F9-E70 HydrophobicContact CZ-CB 3.74Å; F9-E70 HydrophobicContact CZ-CG 4Å; F9-H71 HydrophobicContact CE1-CB 4.18Å; F9-Y242 AromaticContact CD1-CD2 3.91Å; F9-Y242 HydrophobicContact CD1-CD2 3.91Å; F9-Y242 HydrophobicContact CD1-CE2 4.48Å; F9-Y242 HydrophobicContact CD1-CG 4.03Å; F9-Y242 AromaticContact CE1-CD1 3.95Å; F9-Y242 HydrophobicContact CE1-CD1 3.95Å; F9-Y242 AromaticContact CE1-CD2 3.83Å; F9-Y242 HydrophobicContact CE1-CD2 3.83Å; F9-Y242 AromaticContact CE1-CG 3.44Å; F9-Y242 HydrophobicContact CE1-CG 3.44Å; F9-Y242 VanDerWaalsContact CE1-CG 3.44Å; F9-Y242 HydrophobicContact CZ-CG 4.3Å
10	A	96.1	Very high	78.6	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	43%	0.434	C	S	.	.			trans	-59.7	143.9	174.4	0	0	0	0	0	111	A12 A13 F66 P98	A10-A12 VanDerWaalsContact C-N 3.33Å; A10-A12 PolarHBondContact O-N 2.88Å; A10-A13 WeakPolarHBondContact O-CB 3.43Å; A10-A13 PolarHBondContact O-N 2.93Å; A10-F66 HydrophobicContact CB-CB 3.87Å; A10-F66 HydrophobicContact CB-CD1 4.15Å; A10-F66 HydrophobicContact CB-CG 4.41Å; A10-P98 HydrophobicContact CB-CB 4.49Å
11	P	96.1	Very high	79.3	Confident	34 Å²	34	70 Å²	70	22%	0.221	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-57.7	-42.2	-176.8	-24.7	34.8	0	0	0	113.8	A13 S14 N99	P11-A13 PolarHBondContact O-N 2.83Å; P11-S14 WeakPolarHBondContact O-CB 3.31Å; P11-S14 PolarHBondContact O-N 2.95Å; P11-S14 VanDerWaalsContact O-N 3.09Å; P11-S14 PolarHBondContact O-OG 3.1Å; P11-N99 WeakPolarHBondContact CG-O 3.28Å
12	A	96.6	Very high	82.1	Confident	6 Å²	6	66.1 Å²	66.1	5%	0.05	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-61.2	-10.6	175.4	0	0	0	0	0	115.1	A10 S14 F66 F101 A102 L107	A10-A12 VanDerWaalsContact C-N 3.33Å; A10-A12 PolarHBondContact O-N 2.88Å; A12-S14 VanDerWaalsContact C-N 3.29Å; A12-F66 HydrophobicContact CB-CD1 4.28Å; A12-F66 HydrophobicContact CB-CE1 3.98Å; A12-F101 PolarHBondContact N-O 3.12Å; A12-A102 WeakPolarHBondContact CA-O 3.45Å; A12-L107 HydrophobicContact CB-CD2 3.89Å
13	A	95.3	Very high	84.9	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.008	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-78.8	-12	174.8	0	0	0	0	0	113.7	A10 P11 L16 F66 Y242	A10-A13 WeakPolarHBondContact O-CB 3.43Å; A10-A13 PolarHBondContact O-N 2.93Å; P11-A13 PolarHBondContact O-N 2.83Å; A13-L16 HydrophobicContact CB-CD2 4.38Å; A13-F66 HydrophobicContact CB-CD1 4.16Å; A13-F66 HydrophobicContact CB-CE1 4.33Å; A13-F66 HydrophobicContact CB-CG 4.34Å; A13-Y242 HydrophobicContact CB-CD2 4.47Å; A13-Y242 HydrophobicContact CB-CE2 3.92Å
14	S	92.1	Very high	87.5	Confident	63 Å²	63	60 Å²	60	44%	0.441	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-70.9	152.5	-176.2	-56	0	0	0	0	113.1	P11 A12	P11-S14 WeakPolarHBondContact O-CB 3.31Å; P11-S14 PolarHBondContact O-N 2.95Å; P11-S14 VanDerWaalsContact O-N 3.09Å; P11-S14 PolarHBondContact O-OG 3.1Å; A12-S14 VanDerWaalsContact C-N 3.29Å
15	P	92.7	Very high	89.9	Confident	97 Å²	97	59.5 Å²	59.5	63%	0.63	36%	0.355	S	S	*	.	S	Bend	cis	-75.2	146.9	-4.5	32.4	-35.4	0	0	0	112.3
16	L	94.2	Very high	92.2	Very high	44 Å²	44	59.5 Å²	59.5	23%	0.23	36%	0.359	C	S	.	.	P	Polyproline II helix	trans	-82.9	142.5	176.1	-57.9	-179.5	0	0	0	111.2	Q6 F9 A13 I20 Y242	Q6-L16 HydrophobicContact CB-CD1 3.99Å; F9-L16 HydrophobicContact CB-CD1 4.1Å; F9-L16 HydrophobicContact CB-CD2 4.03Å; F9-L16 HydrophobicContact CD1-CD2 3.91Å; F9-L16 HydrophobicContact CD2-CD1 3.68Å; F9-L16 HydrophobicContact CD2-CD2 4.39Å; F9-L16 HydrophobicContact CE2-CD1 4.28Å; F9-L16 HydrophobicContact CG-CD1 3.9Å; F9-L16 HydrophobicContact CG-CD2 3.85Å; A13-L16 HydrophobicContact CB-CD2 4.38Å; L16-I20 HydrophobicContact CB-CD1 4.09Å; L16-I20 HydrophobicContact CD1-CD1 4.32Å; L16-Y242 CarbonylContact C-O 3.21Å; L16-Y242 WeakPolarHBondContact CA-O 3.3Å; L16-Y242 HydrophobicContact CD2-CD2 3.92Å
17	A	94.2	Very high	94	Very high	18 Å²	18	57.6 Å²	57.6	15%	0.149	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-81.7	158.1	176	0	0	0	0	0	112.1	T19 I20 Y242	A17-T19 WeakPolarHBondContact CB-OG1 3.4Å; A17-T19 PolarHBondContact O-N 2.93Å; A17-I20 WeakPolarHBondContact O-CD1 3.44Å; A17-I20 WeakPolarHBondContact O-CG1 3.15Å; A17-Y242 PolarHBondContact N-O 3.03Å
18	S	93.4	Very high	95	Very high	129 Å²	129	52.7 Å²	52.7	90%	0.902	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-3.3	174.1	60.5	0	0	0	0	113.7	I20	S18-I20 VanDerWaalsContact C-N 3.29Å
19	T	96.3	Very high	95.3	Very high	61 Å²	61	54.2 Å²	54.2	37%	0.374	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	4.1	-176.9	44.6	0	0	0	0	113.7	A17 V21 D241 Y246	A17-T19 WeakPolarHBondContact CB-OG1 3.4Å; A17-T19 PolarHBondContact O-N 2.93Å; T19-V21 PolarHBondContact O-N 3.03Å; T19-D241 CarbonylContact C-O 3.53Å; T19-D241 WeakPolarHBondContact CB-O 3.23Å; T19-D241 PolarHBondContact OG1-O 3.23Å; T19-Y246 HydrophobicContact CG2-CD1 4.21Å
20	I	96.1	Very high	95.3	Very high	31 Å²	31	55.6 Å²	55.6	16%	0.159	34%	0.34	C	S	.	.			trans	-52.2	127.6	-179.6	-67.9	165.4	0	0	0	110.1	F9 L16 A17 S18 D241	F9-I20 HydrophobicContact CE2-CD1 4.09Å; F9-I20 HydrophobicContact CZ-CD1 4.16Å; F9-I20 HydrophobicContact CZ-CG1 4.38Å; F9-I20 HydrophobicContact CZ-CG2 4.24Å; L16-I20 HydrophobicContact CB-CD1 4.09Å; L16-I20 HydrophobicContact CD1-CD1 4.32Å; A17-I20 WeakPolarHBondContact O-CD1 3.44Å; A17-I20 WeakPolarHBondContact O-CG1 3.15Å; S18-I20 VanDerWaalsContact C-N 3.29Å; I20-D241 WeakPolarHBondContact CA-OD1 3.49Å; I20-D241 PolarHBondContact N-O 3.25Å
21	V	94.3	Very high	95.4	Very high	57 Å²	57	56.5 Å²	56.5	35%	0.345	35%	0.35	S	S	.	.			trans	-95.8	132.8	175.5	169.2	0	0	0	0	108.8	T19 R78 D241	T19-V21 PolarHBondContact O-N 3.03Å; V21-R78 VanDerWaalsContact CB-NH2 3.28Å; V21-D241 HydrophobicContact CG2-CB 4.14Å; V21-D241 PolarHBondContact N-OD1 3.33Å
22	Q	93	Very high	95.5	Very high	157 Å²	157	61.1 Å²	61.1	73%	0.734	37%	0.366	S	S	*	.			trans	-111.2	114.6	171.2	-67	-176.7	-10.8	0	0	108.7
23	T	96.4	Very high	95.6	Very high	18 Å²	18	62.8 Å²	62.8	11%	0.11	38%	0.376	C	S	.	.			trans	-81.6	127.9	178.7	-58	0	0	0	0	110.4	D74 R77 R78 L81	T23-D74 WeakPolarHBondContact CB-OD1 3.41Å; T23-D74 PolarHBondContact N-OD1 3.03Å; T23-D74 PolarHBondContact OG1-OD1 2.8Å; T23-D74 PolarHBondContact OG1-OD2 2.82Å; T23-R77 HydrophobicContact CG2-CB 3.88Å; T23-R78 HydrophobicContact CG2-CG 4.09Å; T23-R78 WeakPolarHBondContact OG1-CG 3.43Å; T23-L81 HydrophobicContact CG2-CD1 3.33Å; T23-L81 HydrophobicContact CG2-CG 4.22Å
24	P	93.9	Very high	95.8	Very high	75 Å²	75	65.1 Å²	65.1	49%	0.487	39%	0.392	S	S	.	.			trans	-56.9	145.5	175.5	-24.7	34.3	0	0	0	113	D26	P24-D26 WeakPolarHBondContact CB-OD1 3.38Å
25	D	92.7	Very high	96.1	Very high	116 Å²	116	62.1 Å²	62.1	62%	0.62	37%	0.371	S	S	*	.			trans	-108.3	2.4	-178.5	67.4	-5	0	0	0	114	A27 I28	D25-A27 VanDerWaalsContact C-N 3.29Å; D25-A27 PolarHBondContact O-N 2.97Å; D25-I28 HydrophobicContact CB-CD1 4.39Å; D25-I28 HydrophobicContact CB-CG1 4.14Å; D25-I28 PolarHBondContact O-N 3.36Å; D25-I28 VanDerWaalsContact O-O 3.09Å
26	D	96.9	Very high	96.3	Very high	110 Å²	110	60.8 Å²	60.8	59%	0.588	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-30.6	-173.9	63	-74.7	0	0	0	113.4	P24 K50	P24-D26 WeakPolarHBondContact CB-OD1 3.38Å; D26-K50 VanDerWaalsContact O-CD 3.31Å; D26-K50 WeakPolarHBondContact O-CD 3.32Å; D26-K50 WeakPolarHBondContact O-CE 3.22Å; D26-K50 PolarHBondContact O-NZ 2.96Å
27	A	97.3	Very high	96.5	Very high	45 Å²	45	58.8 Å²	58.8	37%	0.372	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-0.1	-179.4	0	0	0	0	0	114	D25 K50 L81	D25-A27 VanDerWaalsContact C-N 3.29Å; D25-A27 PolarHBondContact O-N 2.97Å; A27-K50 PolarHBondContact O-N 2.97Å; A27-L81 HydrophobicContact CB-CD2 3.9Å
28	I	98.4	Very high	96.7	Very high	7 Å²	7	62.2 Å²	62.2	4%	0.036	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	161.2	-172.4	61.6	173.4	0	0	0	112.8	D25 A30 R48 K50 R77 A80 L81	D25-I28 HydrophobicContact CB-CD1 4.39Å; D25-I28 HydrophobicContact CB-CG1 4.14Å; D25-I28 PolarHBondContact O-N 3.36Å; D25-I28 VanDerWaalsContact O-O 3.09Å; I28-A30 HydrophobicContact CD1-CB 4.31Å; I28-R48 CarbonylContact C-O 3.21Å; I28-R48 WeakPolarHBondContact CA-O 3.31Å; I28-R48 VanDerWaalsContact CB-O 3.25Å; I28-R48 WeakPolarHBondContact CB-O 3.18Å; I28-K50 WeakPolarHBondContact O-CE 3.41Å; I28-R77 HydrophobicContact CD1-CB 3.57Å; I28-R77 HydrophobicContact CD1-CG 3.57Å; I28-A80 HydrophobicContact CB-CB 4.21Å; I28-A80 HydrophobicContact CD1-CB 4.46Å; I28-A80 HydrophobicContact CG2-CB 3.65Å; I28-L81 HydrophobicContact CG2-CD2 3.72Å; I28-L81 HydrophobicContact CG2-CG 4.16Å
29	V	98.2	Very high	96.9	Very high	59 Å²	59	60 Å²	60	36%	0.358	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	120.1	163.7	-179.9	0	0	0	0	106.5	A47 R48 K50	V29-A47 WeakPolarHBondContact O-CA 3.21Å; V29-R48 HydrophobicContact CB-CG 4.28Å; V29-R48 PolarHBondContact N-O 2.8Å; V29-R48 PolarHBondContact O-N 3.41Å; V29-K50 HydrophobicContact CG2-CG 3.8Å
30	A	98.2	Very high	96.9	Very high	39 Å²	39	60.7 Å²	60.7	32%	0.322	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	150.9	179.9	0	0	0	0	0	111.3	I28 Y45 H46 A47 R77	I28-A30 HydrophobicContact CD1-CB 4.31Å; A30-Y45 HydrophobicContact CB-CE1 4.13Å; A30-Y45 VanDerWaalsContact CB-OH 3.31Å; A30-Y45 WeakPolarHBondContact CB-OH 3.33Å; A30-H46 CarbonylContact C-O 3.57Å; A30-H46 WeakPolarHBondContact CA-O 3.48Å; A30-H46 WeakPolarHBondContact CB-O 3.43Å; A30-A47 HydrophobicContact CB-CB 3.67Å; A30-R77 HydrophobicContact CB-CG 4.19Å
31	G	97.7	Very high	97	Very high	20 Å²	20	64.6 Å²	64.6	21%	0.206	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.5	176.2	-179.8	0	0	0	0	0	113.2	H46	G31-H46 PolarHBondContact N-O 3.02Å; G31-H46 PolarHBondContact O-CD2 3.38Å; G31-H46 VanDerWaalsContact O-CD2 3.23Å; G31-H46 PolarHBondContact O-N 2.95Å
32	F	98.3	Very high	97.2	Very high	130 Å²	130	61.9 Å²	61.9	57%	0.57	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	146.1	171.8	-66	-78.4	0	0	0	111.1	A44 Y45 R73	F32-A44 CarbonylContact C-O 3.58Å; F32-A44 VanDerWaalsContact CA-O 3.32Å; F32-A44 WeakPolarHBondContact CA-O 3.48Å; F32-Y45 HydrophobicContact CD1-CD2 4.13Å; F32-Y45 HydrophobicContact CE1-CD2 4.13Å; F32-Y45 HydrophobicContact CG-CD2 4.35Å; F32-Y45 HydrophobicContact CZ-CD2 4.34Å; F32-R73 VanDerWaalsContact CZ-CZ 3.43Å
33	T	98.4	Very high	97.5	Very high	42 Å²	42	57.1 Å²	57.1	26%	0.258	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	178.9	172.7	-168	0	0	0	0	109.3	I35 A44 W130	T33-I35 HydrophobicContact CG2-CG1 4.44Å; T33-A44 HydrophobicContact CG2-CB 4Å; T33-A44 PolarHBondContact N-O 2.76Å; T33-A44 PolarHBondContact O-N 3.32Å; T33-W130 HydrophobicContact CG2-CH2 4.15Å; T33-W130 HydrophobicContact CG2-CZ2 3.82Å
34	S	98.4	Very high	97.6	Very high	50 Å²	50	56.4 Å²	56.4	35%	0.35	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	136.7	173.4	-170.8	0	0	0	0	110.5	N41 M42	S34-N41 VanDerWaalsContact OG-CB 3.28Å; S34-N41 WeakPolarHBondContact OG-CB 3.28Å; S34-M42 WeakPolarHBondContact CA-O 3.37Å
35	I	98.7	Very high	97.9	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	116.2	-176.6	-61.3	-177.2	0	0	0	108.2	T33 S37 M42 A44 I87 V127 W130	T33-I35 HydrophobicContact CG2-CG1 4.44Å; I35-S37 PolarHBondContact O-N 3.27Å; I35-M42 HydrophobicContact CB-CE 4.22Å; I35-M42 HydrophobicContact CG2-CE 4.17Å; I35-M42 PolarHBondContact N-O 3.45Å; I35-M42 WeakPolarHBondContact O-CB 3.47Å; I35-M42 PolarHBondContact O-N 2.82Å; I35-A44 HydrophobicContact CD1-CB 3.57Å; I35-A44 HydrophobicContact CG1-CB 3.95Å; I35-I87 HydrophobicContact CD1-CG2 3.92Å; I35-V127 HydrophobicContact CD1-CB 4.45Å; I35-V127 HydrophobicContact CD1-CG1 4.38Å; I35-V127 HydrophobicContact CD1-CG2 3.89Å; I35-W130 HydrophobicContact CB-CG 4.46Å; I35-W130 HydrophobicContact CD1-CB 4.39Å; I35-W130 HydrophobicContact CD1-CD2 4.14Å; I35-W130 HydrophobicContact CD1-CE3 4.35Å; I35-W130 HydrophobicContact CD1-CG 4.16Å; I35-W130 HydrophobicContact CG1-CB 4.33Å; I35-W130 HydrophobicContact CG1-CD2 4.04Å; I35-W130 HydrophobicContact CG1-CG 3.83Å; I35-W130 HydrophobicContact CG2-CB 3.86Å; I35-W130 HydrophobicContact CG2-CG 4.16Å
36	P	98.4	Very high	98.2	Very high	69 Å²	69	49.7 Å²	49.7	45%	0.448	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	120.5	171.9	-23.8	34.4	0	0	0	110.3	D40	P36-D40 CarbonylContact C-O 3.55Å; P36-D40 WeakPolarHBondContact CA-O 3.39Å
37	S	98.4	Very high	98.2	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.014	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	122.5	-177.5	-167.5	0	0	0	0	111.5	I35 G39 D40 R94 D123 H126	I35-S37 PolarHBondContact O-N 3.27Å; S37-G39 PolarHBondContact O-N 3.19Å; S37-G39 VanDerWaalsContact O-N 3.1Å; S37-D40 PolarHBondContact N-O 3.25Å; S37-D40 PolarHBondContact O-N 2.87Å; S37-R94 PolarHBondContact O-NH2 2.83Å; S37-D123 WeakPolarHBondContact CB-OD1 3.5Å; S37-D123 PolarHBondContact OG-OD1 3.39Å; S37-H126 WeakPolarHBondContact OG-CB 3.31Å; S37-H126 PolarHBondContact OG-CD2 3.22Å
38	Q	97.3	Very high	98.3	Very high	89 Å²	89	46.3 Å²	46.3	42%	0.416	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	33.5	175.2	-52.4	-179.5	73.3	0	0	114.6	Q119 A122 D123	Q38-Q119 PolarHBondContact NE2-O 2.86Å; Q38-A122 HydrophobicContact CG-CB 4.37Å; Q38-D123 VanDerWaalsContact NE2-CG 3.33Å; Q38-D123 PolarHBondContact NE2-OD1 2.74Å
39	G	97	Very high	98.3	Very high	83 Å²	83	46.9 Å²	46.9	86%	0.856	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.5	-10	-179.5	0	0	0	0	0	114.9	S37	S37-G39 PolarHBondContact O-N 3.19Å; S37-G39 VanDerWaalsContact O-N 3.1Å
40	D	97.9	Very high	98.3	Very high	75 Å²	75	49.6 Å²	49.6	40%	0.401	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	172.2	178.5	-57.8	-56.1	0	0	0	112.3	P36 S37 F93 R94	P36-D40 CarbonylContact C-O 3.55Å; P36-D40 WeakPolarHBondContact CA-O 3.39Å; S37-D40 PolarHBondContact N-O 3.25Å; S37-D40 PolarHBondContact O-N 2.87Å; D40-F93 HydrophobicContact CB-CE2 3.78Å; D40-F93 HydrophobicContact CB-CZ 3.95Å; D40-R94 IonicContact OD2-CZ 2.73Å; D40-R94 IonicContact OD2-NE 3.44Å; D40-R94 PolarHBondContact OD2-NE 3.16Å
41	N	98.2	Very high	98.1	Very high	113 Å²	113	56.1 Å²	56.1	60%	0.604	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	86.7	176.8	-83.6	-36.3	0	0	0	109.4	S34 P43	S34-N41 VanDerWaalsContact OG-CB 3.28Å; S34-N41 WeakPolarHBondContact OG-CB 3.28Å; N41-P43 WeakPolarHBondContact O-CD 3.44Å
42	M	98.6	Very high	97.9	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	122.7	-177.8	179.8	170.9	61.1	0	0	110.6	S34 I35 P89 L91 F93 D123 V127	S34-M42 WeakPolarHBondContact CA-O 3.37Å; I35-M42 HydrophobicContact CB-CE 4.22Å; I35-M42 HydrophobicContact CG2-CE 4.17Å; I35-M42 PolarHBondContact N-O 3.45Å; I35-M42 WeakPolarHBondContact O-CB 3.47Å; I35-M42 PolarHBondContact O-N 2.82Å; M42-P89 HydrophobicContact CE-CB 3.5Å; M42-P89 HydrophobicContact CG-CB 4.49Å; M42-P89 HydrophobicContact SD-CB 3.69Å; M42-L91 HydrophobicContact SD-CD2 4.2Å; M42-F93 HydrophobicContact CB-CD1 4.21Å; M42-F93 HydrophobicContact CB-CE1 3.58Å; M42-F93 HydrophobicContact CB-CE2 4.28Å; M42-F93 HydrophobicContact CB-CZ 3.61Å; M42-F93 HydrophobicContact CG-CD1 3.72Å; M42-F93 HydrophobicContact CG-CE1 3.46Å; M42-F93 VanDerWaalsContact CG-CE1 3.46Å; M42-F93 HydrophobicContact CG-CG 4.42Å; M42-F93 HydrophobicContact CG-CZ 4.04Å; M42-F93 HydrophobicContact SD-CD1 4.3Å; M42-F93 HydrophobicContact SD-CE1 3.85Å; M42-D123 HydrophobicContact CE-CB 4Å; M42-D123 HydrophobicContact SD-CB 3.8Å; M42-V127 HydrophobicContact CE-CG2 3.67Å
43	P	98.7	Very high	97.5	Very high	58 Å²	58	59.2 Å²	59.2	38%	0.377	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	142.1	170.8	-20.3	32.9	0	0	0	110.6	N41 E90 F93	N41-P43 WeakPolarHBondContact O-CD 3.44Å; P43-E90 HydrophobicContact CB-CB 4.11Å; P43-E90 WeakPolarHBondContact O-CB 3.42Å; P43-E90 PolarHBondContact O-N 2.94Å; P43-F93 HydrophobicContact CG-CB 4.36Å
44	A	98.9	Very high	97.2	Very high	2 Å²	2	58.9 Å²	58.9	2%	0.017	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	153.9	173.7	0	0	0	0	0	110.5	F32 T33 I35 I87 A88	F32-A44 CarbonylContact C-O 3.58Å; F32-A44 VanDerWaalsContact CA-O 3.32Å; F32-A44 WeakPolarHBondContact CA-O 3.48Å; T33-A44 HydrophobicContact CG2-CB 4Å; T33-A44 PolarHBondContact N-O 2.76Å; T33-A44 PolarHBondContact O-N 3.32Å; I35-A44 HydrophobicContact CD1-CB 3.57Å; I35-A44 HydrophobicContact CG1-CB 3.95Å; A44-I87 HydrophobicContact CB-CG2 4.37Å; A44-A88 CarbonylContact C-O 3.48Å; A44-A88 VanDerWaalsContact CA-O 3.27Å; A44-A88 WeakPolarHBondContact CA-O 3.45Å
45	Y	98.8	Very high	97.2	Very high	19 Å²	19	60.2 Å²	60.2	8%	0.075	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	140.7	164.6	-170.5	-92	0	0	0	108.9	A30 F32 A47 R73 C76 R77 I87 A88	A30-Y45 HydrophobicContact CB-CE1 4.13Å; A30-Y45 VanDerWaalsContact CB-OH 3.31Å; A30-Y45 WeakPolarHBondContact CB-OH 3.33Å; F32-Y45 HydrophobicContact CD1-CD2 4.13Å; F32-Y45 HydrophobicContact CE1-CD2 4.13Å; F32-Y45 HydrophobicContact CG-CD2 4.35Å; F32-Y45 HydrophobicContact CZ-CD2 4.34Å; Y45-A47 HydrophobicContact CE1-CB 4.38Å; Y45-R73 HydrophobicContact CD1-CB 3.95Å; Y45-R73 HydrophobicContact CD1-CG 4.07Å; Y45-R73 HydrophobicContact CD2-CB 4.28Å; Y45-R73 HydrophobicContact CD2-CG 3.82Å; Y45-R73 HydrophobicContact CE1-CB 3.84Å; Y45-R73 HydrophobicContact CE1-CG 4.36Å; Y45-R73 HydrophobicContact CE2-CB 4.17Å; Y45-R73 HydrophobicContact CE2-CG 4.13Å; Y45-R73 HydrophobicContact CG-CB 4.16Å; Y45-R73 HydrophobicContact CG-CG 3.77Å; Y45-C76 HydrophobicContact CD1-CB 3.92Å; Y45-C76 HydrophobicContact CE1-CB 4.09Å; Y45-R77 HydrophobicContact CE1-CG 4.35Å; Y45-R77 PolarHBondContact OH-NH1 3.37Å; Y45-I87 CarbonylContact O-C 3.53Å; Y45-I87 WeakPolarHBondContact O-CA 3.04Å; Y45-A88 PolarHBondContact N-O 3.5Å; Y45-A88 PolarHBondContact O-N 3.41Å
46	H	98.8	Very high	97.1	Very high	31 Å²	31	60.9 Å²	60.9	14%	0.144	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	154.9	173	75.1	95.8	0	0	0	111.1	A30 G31 A86 I87 W130	A30-H46 CarbonylContact C-O 3.57Å; A30-H46 WeakPolarHBondContact CA-O 3.48Å; A30-H46 WeakPolarHBondContact CB-O 3.43Å; G31-H46 PolarHBondContact N-O 3.02Å; G31-H46 PolarHBondContact O-CD2 3.38Å; G31-H46 VanDerWaalsContact O-CD2 3.23Å; G31-H46 PolarHBondContact O-N 2.95Å; H46-A86 CarbonylContact C-O 3.54Å; H46-A86 WeakPolarHBondContact CA-O 3.12Å; H46-I87 HydrophobicContact CB-CG1 4.28Å; H46-W130 HydrophobicContact CB-CH2 4.47Å
47	A	98.7	Very high	97.1	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	143.5	171.2	0	0	0	0	0	109.8	V29 A30 Y45 C76 R77 A80 A86	V29-A47 WeakPolarHBondContact O-CA 3.21Å; A30-A47 HydrophobicContact CB-CB 3.67Å; Y45-A47 HydrophobicContact CE1-CB 4.38Å; A47-C76 HydrophobicContact CB-CB 3.99Å; A47-C76 WeakPolarHBondContact CB-O 3.17Å; A47-R77 HydrophobicContact CB-CG 4.26Å; A47-A80 HydrophobicContact CB-CB 3.63Å; A47-A86 PolarHBondContact N-O 3.2Å; A47-A86 PolarHBondContact O-N 3.32Å
48	R	98.7	Very high	97.1	Very high	85 Å²	85	58 Å²	58	32%	0.321	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	158.1	177.6	62.1	179.4	-176.3	92.2	-5.1	111.3	I28 V29 L56 L85	I28-R48 CarbonylContact C-O 3.21Å; I28-R48 WeakPolarHBondContact CA-O 3.31Å; I28-R48 VanDerWaalsContact CB-O 3.25Å; I28-R48 WeakPolarHBondContact CB-O 3.18Å; V29-R48 HydrophobicContact CB-CG 4.28Å; V29-R48 PolarHBondContact N-O 2.8Å; V29-R48 PolarHBondContact O-N 3.41Å; R48-L56 HydrophobicContact CB-CD1 3.8Å; R48-L85 HydrophobicContact CB-CD1 3.99Å
49	P	98.4	Very high	97.2	Very high	19 Å²	19	53.8 Å²	53.8	12%	0.123	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-50	143.6	165.9	-26.4	32.3	0	0	0	112.6	Q51 L56 A80 Y84	P49-Q51 VanDerWaalsContact CB-O 3.29Å; P49-Q51 WeakPolarHBondContact CB-O 3.37Å; P49-Q51 PolarHBondContact O-N 2.82Å; P49-L56 HydrophobicContact CG-CD2 4.15Å; P49-A80 WeakPolarHBondContact CD-O 3.25Å; P49-A80 VanDerWaalsContact CG-O 3.3Å; P49-A80 WeakPolarHBondContact CG-O 3.29Å; P49-Y84 WeakPolarHBondContact CD-O 3.21Å
50	K	97.6	Very high	97.3	Very high	115 Å²	115	49.9 Å²	49.9	50%	0.5	27%	0.268	S	S	.	.	S	Bend	trans	-61	-36.4	170.8	-81.7	179.8	-177.1	178.7	0	112.1	D26 A27 I28 V29	D26-K50 VanDerWaalsContact O-CD 3.31Å; D26-K50 WeakPolarHBondContact O-CD 3.32Å; D26-K50 WeakPolarHBondContact O-CE 3.22Å; D26-K50 PolarHBondContact O-NZ 2.96Å; A27-K50 PolarHBondContact O-N 2.97Å; I28-K50 WeakPolarHBondContact O-CE 3.41Å; V29-K50 HydrophobicContact CG2-CG 3.8Å
51	Q	94.5	Very high	97.4	Very high	177 Å²	177	46.3 Å²	46.3	83%	0.827	25%	0.249	S	C	*	.			trans	-120.5	136.3	-177.8	-64.2	178.7	-15.6	0	0	109.9	P49	P49-Q51 VanDerWaalsContact CB-O 3.29Å; P49-Q51 WeakPolarHBondContact CB-O 3.37Å; P49-Q51 PolarHBondContact O-N 2.82Å
52	S	93.3	Very high	97.4	Very high	55 Å²	55	40.9 Å²	40.9	39%	0.385	22%	0.221	S	C	.	.			trans	-152.1	140.3	172.1	69.5	0	0	0	0	111.3	G54	S52-G54 PolarHBondContact O-N 2.72Å; S52-G54 PolarHBondContact OG-O 3.21Å
53	D	89.2	Confident	97.4	Very high	160 Å²	160	40.9 Å²	40.9	86%	0.856	22%	0.221	S	C	*	.	S	Bend	trans	-84.7	45.6	178.4	-60.6	-35.6	0	0	0	112	K269	D53-K269 PolarHBondContact O-NZ 2.79Å
54	G	93.8	Very high	97.4	Very high	34 Å²	34	38.3 Å²	38.3	35%	0.351	20%	0.203	S	C	.	.	S	Bend	trans	122.5	-166.3	-178.5	0	0	0	0	0	114.5	S52	S52-G54 PolarHBondContact O-N 2.72Å; S52-G54 PolarHBondContact OG-O 3.21Å
55	P	96.6	Very high	97.3	Very high	78 Å²	78	39 Å²	39	51%	0.506	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-59.1	134.8	-179.3	-26.2	36.3	0	0	0	112.9	G135 D137	P55-G135 CarbonylContact C-O 3.58Å; P55-G135 VanDerWaalsContact CA-O 3.31Å; P55-G135 WeakPolarHBondContact CA-O 3.45Å; P55-D137 HydrophobicContact CB-CB 3.98Å
56	L	98.1	Very high	97.3	Very high	14 Å²	14	38.3 Å²	38.3	7%	0.073	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	145.7	-175.1	-69.5	165.1	0	0	0	111.4	R48 P49 V58 G83 L85 G135 G136 D137	R48-L56 HydrophobicContact CB-CD1 3.8Å; P49-L56 HydrophobicContact CG-CD2 4.15Å; L56-V58 PolarHBondContact O-N 3.05Å; L56-G83 WeakPolarHBondContact CD2-O 3.39Å; L56-L85 HydrophobicContact CB-CB 3.92Å; L56-L85 HydrophobicContact CD1-CB 4.15Å; L56-G135 PolarHBondContact N-O 3.11Å; L56-G136 CarbonylContact O-C 3.54Å; L56-G136 WeakPolarHBondContact O-CA 3.47Å; L56-D137 PolarHBondContact O-N 3Å
57	P	98.3	Very high	97.3	Very high	12 Å²	12	36.9 Å²	36.9	8%	0.078	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	138.5	165.3	27	-32.2	0	0	0	110.2	Y84 L85 R140 M142	P57-Y84 HydrophobicContact CB-CD1 3.72Å; P57-Y84 HydrophobicContact CB-CE1 3.96Å; P57-Y84 HydrophobicContact CG-CD1 3.54Å; P57-Y84 HydrophobicContact CG-CE1 3.87Å; P57-Y84 HydrophobicContact CG-CG 4.37Å; P57-Y84 WeakPolarHBondContact O-CA 3.42Å; P57-L85 PolarHBondContact O-N 3.15Å; P57-R140 HydrophobicContact CB-CB 4Å; P57-M142 HydrophobicContact CB-CE 3.72Å
58	V	98.8	Very high	97.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	130.9	-172.3	-177.4	0	0	0	0	110	L56 L85 I87 A131 G136 R140 L141 M142	L56-V58 PolarHBondContact O-N 3.05Å; V58-L85 WeakPolarHBondContact CA-O 3.5Å; V58-L85 HydrophobicContact CG2-CD2 4.46Å; V58-I87 HydrophobicContact CG1-CD1 4.1Å; V58-A131 HydrophobicContact CB-CB 4.42Å; V58-A131 HydrophobicContact CG1-CB 3.73Å; V58-A131 HydrophobicContact CG2-CB 3.79Å; V58-G136 VanDerWaalsContact CG2-CA 3.49Å; V58-R140 PolarHBondContact N-O 3.17Å; V58-L141 HydrophobicContact CB-CD1 3.95Å; V58-L141 HydrophobicContact CG1-CD1 3.76Å; V58-M142 VanDerWaalsContact O-CE 3.23Å; V58-M142 WeakPolarHBondContact O-CE 3.46Å; V58-M142 PolarHBondContact O-N 2.51Å
59	V	98.9	Very high	97.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	114.6	169.3	-177.2	0	0	0	0	109	V61 L79 Y84 L85 A86 I87 M142 T144 F262	V59-V61 HydrophobicContact CG1-CG2 4.28Å; V59-L79 HydrophobicContact CB-CD1 4.11Å; V59-L79 HydrophobicContact CG1-CD1 3.66Å; V59-L79 HydrophobicContact CG2-CD2 4.47Å; V59-Y84 HydrophobicContact CG2-CD1 3.45Å; V59-Y84 VanDerWaalsContact CG2-CD1 3.45Å; V59-Y84 HydrophobicContact CG2-CD2 4.43Å; V59-Y84 HydrophobicContact CG2-CE1 4.06Å; V59-Y84 HydrophobicContact CG2-CG 3.68Å; V59-L85 PolarHBondContact N-O 3.47Å; V59-A86 VanDerWaalsContact O-CA 3.29Å; V59-A86 WeakPolarHBondContact O-CA 3.3Å; V59-I87 PolarHBondContact O-N 2.88Å; V59-M142 WeakPolarHBondContact CA-O 3.47Å; V59-M142 HydrophobicContact CG2-CB 4.2Å; V59-M142 HydrophobicContact CG2-CE 4.13Å; V59-T144 HydrophobicContact CG1-CG2 3.99Å; V59-F262 HydrophobicContact CG1-CE2 3.78Å; V59-F262 HydrophobicContact CG1-CZ 4.06Å; V59-F262 HydrophobicContact CG2-CD2 4.09Å; V59-F262 HydrophobicContact CG2-CE2 3.84Å
60	I	99	Very high	97.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	130.4	168.1	-54.7	177.4	0	0	0	108.2	I87 L124 V127 A128 L141 M142 I143 T144 Y156	I60-I87 CarbonylContact C-O 3.57Å; I60-I87 WeakPolarHBondContact CA-O 3.43Å; I60-L124 HydrophobicContact CG2-CD2 3.54Å; I60-V127 HydrophobicContact CD1-CB 4.09Å; I60-V127 HydrophobicContact CD1-CG1 3.87Å; I60-V127 HydrophobicContact CG1-CG1 3.8Å; I60-V127 HydrophobicContact CG2-CG1 4.23Å; I60-A128 HydrophobicContact CD1-CB 4.44Å; I60-L141 HydrophobicContact CD1-CD1 3.96Å; I60-L141 HydrophobicContact CG1-CD1 4.08Å; I60-M142 PolarHBondContact N-O 3.36Å; I60-I143 HydrophobicContact CB-CB 4.46Å; I60-I143 HydrophobicContact CB-CD1 4.41Å; I60-I143 HydrophobicContact CB-CG1 4.12Å; I60-I143 HydrophobicContact CG2-CD1 4.48Å; I60-I143 CarbonylContact O-C 3.48Å; I60-I143 WeakPolarHBondContact O-CA 3.27Å; I60-T144 PolarHBondContact O-N 2.82Å; I60-Y156 HydrophobicContact CD1-CE1 4.41Å
61	V	99	Very high	97.2	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	108.3	-178.1	-174.5	0	0	0	0	108.8	V59 I72 I75 L79 A86 I87 A88 T144 F146	V59-V61 HydrophobicContact CG1-CG2 4.28Å; V61-I72 HydrophobicContact CG1-CG2 4.03Å; V61-I75 HydrophobicContact CG1-CB 4.35Å; V61-I75 HydrophobicContact CG1-CG2 3.73Å; V61-I75 HydrophobicContact CG2-CG2 4.38Å; V61-L79 HydrophobicContact CG2-CD1 3.52Å; V61-A86 HydrophobicContact CG2-CB 4.33Å; V61-I87 PolarHBondContact N-O 3.21Å; V61-A88 HydrophobicContact CB-CB 4.2Å; V61-A88 WeakPolarHBondContact O-CA 3.42Å; V61-A88 WeakPolarHBondContact O-CB 3.42Å; V61-T144 CarbonylContact C-O 3.6Å; V61-T144 WeakPolarHBondContact CA-O 3.45Å; V61-T144 HydrophobicContact CG1-CG2 4.46Å; V61-T144 HydrophobicContact CG2-CG2 4.29Å; V61-F146 HydrophobicContact CG1-CE2 4.03Å
62	V	99	Very high	97.4	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	127.7	-177.1	-166.1	0	0	0	0	110.7	L91 L124 I143 T144 G145 F146 W148 I152	V62-L91 HydrophobicContact CG1-CD1 3.62Å; V62-L124 HydrophobicContact CG2-CD2 4.15Å; V62-I143 HydrophobicContact CG2-CD1 3.65Å; V62-I143 HydrophobicContact CG2-CG1 3.87Å; V62-T144 PolarHBondContact N-O 2.91Å; V62-G145 WeakPolarHBondContact O-CA 3.42Å; V62-F146 PolarHBondContact O-N 3.15Å; V62-W148 HydrophobicContact CG1-CE3 4.33Å; V62-W148 HydrophobicContact CG1-CZ3 3.96Å; V62-I152 HydrophobicContact CG1-CB 4.05Å; V62-I152 HydrophobicContact CG1-CG2 3.96Å; V62-I152 HydrophobicContact CG2-CG2 4.4Å
63	Q	98.8	Very high	97.6	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.115	C	C	.	.			trans	-59.8	157.9	-177.1	62.7	-164.1	52.8	0	0	115.1	G67 I72 P89 E90 L91 Y92 W148 G149	Q63-G67 WeakPolarHBondContact CB-O 3.38Å; Q63-I72 HydrophobicContact CB-CG1 4.33Å; Q63-P89 PolarHBondContact OE1-O 3.49Å; Q63-E90 PolarHBondContact NE2-OE1 3.39Å; Q63-E90 PolarHBondContact OE1-OE1 2.95Å; Q63-L91 VanDerWaalsContact OE1-N 3.15Å; Q63-Y92 VanDerWaalsContact NE2-CG 3.27Å; Q63-W148 HydrophobicContact CG-CE3 4.3Å; Q63-W148 HydrophobicContact CG-CZ3 4.12Å; Q63-G149 VanDerWaalsContact O-CA 3.24Å; Q63-G149 WeakPolarHBondContact O-CA 3.31Å; Q63-G149 PolarHBondContact O-N 2.79Å
64	E	97.9	Very high	98.1	Very high	3 Å²	3	12.5 Å²	12.5	1%	0.014	8%	0.075	C	C	.	.	B	Isolated β-bridge	trans	-72.6	-168.5	159.3	-61.9	-176.2	-97.9	0	0	110.3	F66 H69 H71 I72 F146 C147 Y242	E64-F66 HydrophobicContact CB-CD2 4.02Å; E64-F66 PolarHBondContact O-N 3.22Å; E64-F66 VanDerWaalsContact O-N 3.09Å; E64-H69 IonicContact OE1-NE2 3.6Å; E64-H71 IonicContact OE1-CD2 3.53Å; E64-I72 HydrophobicContact CG-CD1 4.36Å; E64-F146 WeakPolarHBondContact CA-O 3.09Å; E64-F146 HydrophobicContact CG-CB 3.66Å; E64-C147 HydrophobicContact CB-CB 4.47Å; E64-C147 HydrophobicContact CG-CB 4.23Å; E64-Y242 VanDerWaalsContact CD-OH 3.28Å; E64-Y242 WeakPolarHBondContact OE1-CE1 3.33Å; E64-Y242 PolarHBondContact OE1-OH 2.72Å; E64-Y242 PolarHBondContact OE2-OH 2.94Å
65	I	98.3	Very high	98.3	Very high	16 Å²	16	10.9 Å²	10.9	8%	0.082	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-8.6	174.8	62.2	172.5	0	0	0	114.3	Y92 I104 L107 L108 V112 W148	I65-Y92 WeakPolarHBondContact O-CE2 3.36Å; I65-I104 HydrophobicContact CD1-CG1 4.29Å; I65-I104 HydrophobicContact CD1-CG2 3.87Å; I65-L107 HydrophobicContact CB-CD2 4.41Å; I65-L107 HydrophobicContact CD1-CD2 4.23Å; I65-L107 HydrophobicContact CG1-CD2 4.17Å; I65-L107 WeakPolarHBondContact O-CD2 3.41Å; I65-L108 HydrophobicContact CB-CD2 4.49Å; I65-L108 HydrophobicContact CD1-CD2 4.18Å; I65-L108 HydrophobicContact CD1-CG 4.43Å; I65-L108 HydrophobicContact CG2-CD2 3.9Å; I65-V112 HydrophobicContact CB-CG2 3.96Å; I65-V112 HydrophobicContact CG2-CG1 4.32Å; I65-V112 HydrophobicContact CG2-CG2 4.12Å; I65-W148 HydrophobicContact CG2-CB 3.92Å
66	F	98.2	Very high	98.4	Very high	5 Å²	5	7.1 Å²	7.1	2%	0.022	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	10.8	-172	-56.1	-64.7	0	0	0	114.2	A10 A12 A13 E64 H69 I104 L107 Y242	A10-F66 HydrophobicContact CB-CB 3.87Å; A10-F66 HydrophobicContact CB-CD1 4.15Å; A10-F66 HydrophobicContact CB-CG 4.41Å; A12-F66 HydrophobicContact CB-CD1 4.28Å; A12-F66 HydrophobicContact CB-CE1 3.98Å; A13-F66 HydrophobicContact CB-CD1 4.16Å; A13-F66 HydrophobicContact CB-CE1 4.33Å; A13-F66 HydrophobicContact CB-CG 4.34Å; E64-F66 HydrophobicContact CB-CD2 4.02Å; E64-F66 PolarHBondContact O-N 3.22Å; E64-F66 VanDerWaalsContact O-N 3.09Å; F66-H69 WeakPolarHBondContact CB-CD2 3.04Å; F66-I104 HydrophobicContact CE1-CG1 4.04Å; F66-I104 HydrophobicContact CZ-CD1 4.1Å; F66-I104 HydrophobicContact CZ-CG1 4.06Å; F66-L107 HydrophobicContact CD1-CD2 3.63Å; F66-L107 HydrophobicContact CE1-CD2 3.75Å; F66-Y242 WeakPolarHBondContact CD2-OH 3.36Å
67	G	98.2	Very high	98.4	Very high	1 Å²	1	7.6 Å²	7.6	1%	0.01	4%	0.035	C	C	.	.	B	Isolated β-bridge	trans	76.6	-168.8	-175.8	0	0	0	0	0	113.5	Q63 H69 E90	Q63-G67 WeakPolarHBondContact CB-O 3.38Å; G67-H69 PolarHBondContact O-N 3.47Å; G67-E90 WeakPolarHBondContact CA-OE1 3.49Å; G67-E90 WeakPolarHBondContact CA-OE2 3.48Å
68	V	98.3	Very high	98.4	Very high	5 Å²	5	8.7 Å²	8.7	3%	0.03	4%	0.037	C	C	.	.	S	Bend	trans	-79.9	58.8	171.5	-170.5	0	0	0	0	109.3	I72 R73 A88 P89 E90	V68-I72 HydrophobicContact CG1-CG2 4.15Å; V68-R73 HydrophobicContact CG1-CG 4.01Å; V68-R73 VanDerWaalsContact O-CZ 3.24Å; V68-R73 PolarHBondContact O-NE 2.94Å; V68-R73 PolarHBondContact O-NH2 2.89Å; V68-A88 HydrophobicContact CG1-CB 3.72Å; V68-A88 HydrophobicContact CG2-CB 4.13Å; V68-P89 VanDerWaalsContact CG2-O 3.31Å; V68-P89 WeakPolarHBondContact CG2-O 3.43Å; V68-E90 HydrophobicContact CG2-CB 4.07Å; V68-E90 PolarHBondContact N-OE2 2.87Å
69	H	97.5	Very high	98.4	Very high	4 Å²	4	8.7 Å²	8.7	2%	0.019	4%	0.037	C	C	.	.			trans	-79.3	178.6	173.6	83.9	89.4	0	0	0	111	G8 F9 E64 F66 G67 H71 I72 R73 Y242	G8-H69 CarbonylContact O-C 3.54Å; G8-H69 WeakPolarHBondContact O-CA 3.39Å; G8-H69 VanDerWaalsContact O-CB 3.26Å; G8-H69 WeakPolarHBondContact O-CB 3.46Å; F9-H69 AromaticContact CD1-CE1 3.5Å; F9-H69 AromaticContact CD1-ND1 3.18Å; F9-H69 WeakPolarHBondContact CD1-ND1 3.19Å; F9-H69 AromaticContact CE1-CE1 3.73Å; F9-H69 AromaticContact CE1-ND1 3.63Å; E64-H69 IonicContact OE1-NE2 3.6Å; F66-H69 WeakPolarHBondContact CB-CD2 3.04Å; G67-H69 PolarHBondContact O-N 3.47Å; H69-H71 VanDerWaalsContact C-N 3.3Å; H69-H71 WeakPolarHBondContact CE1-CB 3.15Å; H69-H71 PolarHBondContact ND1-N 2.68Å; H69-H71 PolarHBondContact O-N 2.77Å; H69-H71 VanDerWaalsContact O-N 3.11Å; H69-I72 PolarHBondContact O-N 3.09Å; H69-R73 PolarHBondContact O-N 3.21Å; H69-R73 VanDerWaalsContact O-N 3.15Å; H69-Y242 AromaticContact CE1-CE1 3.69Å; H69-Y242 AromaticContact CE1-CE2 3.99Å; H69-Y242 AromaticContact CE1-CZ 3.6Å; H69-Y242 AromaticContact NE2-CZ 3.8Å
70	E	97.3	Very high	98.4	Very high	44 Å²	44	8.8 Å²	8.8	21%	0.206	4%	0.038	C	C	.	.	H	α-helix	trans	-54.1	-37.2	-167.4	-170.5	52.8	-141.7	0	0	115.2	G8 F9 I72 R73 D74 R77	G8-E70 PolarHBondContact O-N 2.98Å; F9-E70 HydrophobicContact CD1-CB 4.32Å; F9-E70 HydrophobicContact CD2-CB 3.92Å; F9-E70 HydrophobicContact CD2-CG 4.49Å; F9-E70 HydrophobicContact CE1-CB 4.06Å; F9-E70 HydrophobicContact CE2-CB 3.67Å; F9-E70 HydrophobicContact CE2-CG 3.86Å; F9-E70 HydrophobicContact CG-CB 4.24Å; F9-E70 HydrophobicContact CZ-CB 3.74Å; F9-E70 HydrophobicContact CZ-CG 4Å; E70-I72 PolarHBondContact O-N 3.26Å; E70-R73 PolarHBondContact O-N 3.22Å; E70-R73 IonicContact OE2-NH1 2.72Å; E70-D74 WeakPolarHBondContact O-CB 3.4Å; E70-D74 PolarHBondContact O-N 2.9Å; E70-R77 IonicContact OE1-CZ 2.73Å; E70-R77 VanDerWaalsContact OE1-CZ 3.29Å; E70-R77 IonicContact OE1-NH1 3.45Å; E70-R77 PolarHBondContact OE1-NH1 2.99Å; E70-R77 IonicContact OE1-NH2 3.86Å; E70-R77 PolarHBondContact OE1-NH2 2.73Å
71	H	97.9	Very high	98.4	Very high	2 Å²	2	12.6 Å²	12.6	1%	0.009	6%	0.058	C	C	.	.	H	α-helix	trans	-61.7	-45.6	176.8	-178.8	61.7	0	0	0	112.1	F9 E64 H69 R73 D74 I75 N239 D241 Y242	F9-H71 HydrophobicContact CE1-CB 4.18Å; E64-H71 IonicContact OE1-CD2 3.53Å; H69-H71 VanDerWaalsContact C-N 3.3Å; H69-H71 WeakPolarHBondContact CE1-CB 3.15Å; H69-H71 PolarHBondContact ND1-N 2.68Å; H69-H71 PolarHBondContact O-N 2.77Å; H69-H71 VanDerWaalsContact O-N 3.11Å; H71-R73 VanDerWaalsContact C-N 3.32Å; H71-R73 PolarHBondContact O-N 2.8Å; H71-D74 PolarHBondContact O-N 2.92Å; H71-I75 WeakPolarHBondContact O-CG1 3.47Å; H71-I75 PolarHBondContact O-N 2.9Å; H71-N239 PolarHBondContact CE1-O 3.43Å; H71-D241 IonicContact CE1-OD2 3.91Å; H71-D241 PolarHBondContact CE1-OD2 2.85Å; H71-D241 IonicContact ND1-OD2 2.79Å; H71-D241 PolarHBondContact ND1-OD2 3.12Å; H71-Y242 HydrophobicContact CB-CD1 3.44Å; H71-Y242 VanDerWaalsContact CB-CD1 3.44Å; H71-Y242 HydrophobicContact CB-CE1 3.47Å; H71-Y242 VanDerWaalsContact CB-CE1 3.47Å; H71-Y242 HydrophobicContact CB-CG 4.43Å; H71-Y242 AromaticContact CD2-CE1 3.58Å; H71-Y242 AromaticContact CG-CD1 3.46Å; H71-Y242 VanDerWaalsContact CG-CD1 3.46Å; H71-Y242 AromaticContact CG-CE1 3.44Å; H71-Y242 VanDerWaalsContact CG-CE1 3.44Å; H71-Y242 AromaticContact ND1-CD1 3.77Å
72	I	98.7	Very high	98.3	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-66.4	-37.3	179.6	-59.8	-59.4	0	0	0	111	V61 Q63 E64 V68 H69 E70 D74 I75 C76 A88 F146	V61-I72 HydrophobicContact CG1-CG2 4.03Å; Q63-I72 HydrophobicContact CB-CG1 4.33Å; E64-I72 HydrophobicContact CG-CD1 4.36Å; V68-I72 HydrophobicContact CG1-CG2 4.15Å; H69-I72 PolarHBondContact O-N 3.09Å; E70-I72 PolarHBondContact O-N 3.26Å; I72-D74 VanDerWaalsContact C-N 3.34Å; I72-I75 PolarHBondContact O-N 2.88Å; I72-C76 PolarHBondContact O-N 2.94Å; I72-C76 VanDerWaalsContact O-N 3.09Å; I72-C76 PolarHBondContact O-SG 3.14Å; I72-C76 VanDerWaalsContact O-SG 3.35Å; I72-A88 HydrophobicContact CG2-CB 3.54Å; I72-F146 HydrophobicContact CD1-CD2 4.01Å
73	R	98.4	Very high	98.3	Very high	42 Å²	42	18.5 Å²	18.5	16%	0.158	9%	0.093	C	C	.	.	H	α-helix	trans	-63.7	-41.7	173.4	-59.5	174.9	-160.7	162.1	1.8	111.2	F32 Y45 V68 H69 E70 H71 C76 R77	F32-R73 VanDerWaalsContact CZ-CZ 3.43Å; Y45-R73 HydrophobicContact CD1-CB 3.95Å; Y45-R73 HydrophobicContact CD1-CG 4.07Å; Y45-R73 HydrophobicContact CD2-CB 4.28Å; Y45-R73 HydrophobicContact CD2-CG 3.82Å; Y45-R73 HydrophobicContact CE1-CB 3.84Å; Y45-R73 HydrophobicContact CE1-CG 4.36Å; Y45-R73 HydrophobicContact CE2-CB 4.17Å; Y45-R73 HydrophobicContact CE2-CG 4.13Å; Y45-R73 HydrophobicContact CG-CB 4.16Å; Y45-R73 HydrophobicContact CG-CG 3.77Å; V68-R73 HydrophobicContact CG1-CG 4.01Å; V68-R73 VanDerWaalsContact O-CZ 3.24Å; V68-R73 PolarHBondContact O-NE 2.94Å; V68-R73 PolarHBondContact O-NH2 2.89Å; H69-R73 PolarHBondContact O-N 3.21Å; H69-R73 VanDerWaalsContact O-N 3.15Å; E70-R73 PolarHBondContact O-N 3.22Å; E70-R73 IonicContact OE2-NH1 2.72Å; H71-R73 VanDerWaalsContact C-N 3.32Å; H71-R73 PolarHBondContact O-N 2.8Å; R73-C76 WeakPolarHBondContact O-CB 3.12Å; R73-C76 PolarHBondContact O-N 3.23Å; R73-R77 PolarHBondContact O-N 2.99Å
74	D	98.3	Very high	98.2	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.011	10%	0.098	C	C	.	.	H	α-helix	trans	-64.9	-40.9	176.3	-162	68.7	0	0	0	112.2	T23 E70 H71 I72 C76 R77 R78	T23-D74 WeakPolarHBondContact CB-OD1 3.41Å; T23-D74 PolarHBondContact N-OD1 3.03Å; T23-D74 PolarHBondContact OG1-OD1 2.8Å; T23-D74 PolarHBondContact OG1-OD2 2.82Å; E70-D74 WeakPolarHBondContact O-CB 3.4Å; E70-D74 PolarHBondContact O-N 2.9Å; H71-D74 PolarHBondContact O-N 2.92Å; I72-D74 VanDerWaalsContact C-N 3.34Å; D74-C76 VanDerWaalsContact C-N 3.27Å; D74-C76 PolarHBondContact O-N 2.85Å; D74-R77 VanDerWaalsContact CA-NH2 3.25Å; D74-R77 CarbonylContact O-C 3.53Å; D74-R77 WeakPolarHBondContact O-CA 3.48Å; D74-R77 WeakPolarHBondContact O-CB 3.22Å; D74-R77 PolarHBondContact O-N 3.31Å; D74-R77 IonicContact OD1-CZ 3.54Å; D74-R77 IonicContact OD1-NE 2.73Å; D74-R77 PolarHBondContact OD1-NE 2.96Å; D74-R77 IonicContact OD1-NH2 3.8Å; D74-R77 PolarHBondContact OD1-NH2 3.32Å; D74-R78 WeakPolarHBondContact O-CG 3.3Å; D74-R78 PolarHBondContact O-N 3.01Å; D74-R78 IonicContact OD2-CZ 3.47Å; D74-R78 IonicContact OD2-NE 3.68Å; D74-R78 PolarHBondContact OD2-NE 2.8Å; D74-R78 IonicContact OD2-NH2 3.69Å; D74-R78 PolarHBondContact OD2-NH2 2.99Å
75	I	98.8	Very high	98.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-57.5	-41.7	172.4	-66.8	-68.3	0	0	0	111.1	V61 H71 I72 R77 R78 L79 F146 W255	V61-I75 HydrophobicContact CG1-CB 4.35Å; V61-I75 HydrophobicContact CG1-CG2 3.73Å; V61-I75 HydrophobicContact CG2-CG2 4.38Å; H71-I75 WeakPolarHBondContact O-CG1 3.47Å; H71-I75 PolarHBondContact O-N 2.9Å; I72-I75 PolarHBondContact O-N 2.88Å; I75-R77 VanDerWaalsContact C-N 3.33Å; I75-R77 PolarHBondContact O-N 3.48Å; I75-R78 PolarHBondContact O-N 2.89Å; I75-L79 HydrophobicContact CG2-CD1 4.08Å; I75-L79 WeakPolarHBondContact O-CG 3.26Å; I75-L79 PolarHBondContact O-N 3.38Å; I75-F146 HydrophobicContact CD1-CZ 4.05Å; I75-F146 HydrophobicContact CG1-CE2 4.29Å; I75-F146 HydrophobicContact CG1-CZ 4.13Å; I75-F146 HydrophobicContact CG2-CE2 3.91Å; I75-F146 HydrophobicContact CG2-CZ 3.93Å; I75-W255 HydrophobicContact CD1-CZ3 3.81Å; I75-W255 HydrophobicContact CG2-CZ3 4.32Å
76	C	98.8	Very high	98.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.2	-43.7	173.9	-64.9	0	0	0	0	111.5	Y45 A47 I72 R73 D74 L79 A80 A86 A88	Y45-C76 HydrophobicContact CD1-CB 3.92Å; Y45-C76 HydrophobicContact CE1-CB 4.09Å; A47-C76 HydrophobicContact CB-CB 3.99Å; A47-C76 WeakPolarHBondContact CB-O 3.17Å; I72-C76 PolarHBondContact O-N 2.94Å; I72-C76 VanDerWaalsContact O-N 3.09Å; I72-C76 PolarHBondContact O-SG 3.14Å; I72-C76 VanDerWaalsContact O-SG 3.35Å; R73-C76 WeakPolarHBondContact O-CB 3.12Å; R73-C76 PolarHBondContact O-N 3.23Å; D74-C76 VanDerWaalsContact C-N 3.27Å; D74-C76 PolarHBondContact O-N 2.85Å; C76-L79 PolarHBondContact O-N 3.45Å; C76-A80 WeakPolarHBondContact O-CB 3.44Å; C76-A80 PolarHBondContact O-N 2.9Å; C76-A86 HydrophobicContact CB-CB 3.88Å; C76-A86 WeakPolarHBondContact O-CB 3.44Å; C76-A88 VanDerWaalsContact SG-CB 3.6Å
77	R	98.7	Very high	98.3	Very high	23 Å²	23	18.6 Å²	18.6	9%	0.087	9%	0.092	C	C	.	.	H	α-helix	trans	-64	-41.4	177.7	-66.3	-173.7	-62.8	-97.7	3.1	112.2	T23 I28 A30 Y45 A47 E70 R73 D74 I75 A80 L81	T23-R77 HydrophobicContact CG2-CB 3.88Å; I28-R77 HydrophobicContact CD1-CB 3.57Å; I28-R77 HydrophobicContact CD1-CG 3.57Å; A30-R77 HydrophobicContact CB-CG 4.19Å; Y45-R77 HydrophobicContact CE1-CG 4.35Å; Y45-R77 PolarHBondContact OH-NH1 3.37Å; A47-R77 HydrophobicContact CB-CG 4.26Å; E70-R77 IonicContact OE1-CZ 2.73Å; E70-R77 VanDerWaalsContact OE1-CZ 3.29Å; E70-R77 IonicContact OE1-NH1 3.45Å; E70-R77 PolarHBondContact OE1-NH1 2.99Å; E70-R77 IonicContact OE1-NH2 3.86Å; E70-R77 PolarHBondContact OE1-NH2 2.73Å; R73-R77 PolarHBondContact O-N 2.99Å; D74-R77 VanDerWaalsContact CA-NH2 3.25Å; D74-R77 CarbonylContact O-C 3.53Å; D74-R77 WeakPolarHBondContact O-CA 3.48Å; D74-R77 WeakPolarHBondContact O-CB 3.22Å; D74-R77 PolarHBondContact O-N 3.31Å; D74-R77 IonicContact OD1-CZ 3.54Å; D74-R77 IonicContact OD1-NE 2.73Å; D74-R77 PolarHBondContact OD1-NE 2.96Å; D74-R77 IonicContact OD1-NH2 3.8Å; D74-R77 PolarHBondContact OD1-NH2 3.32Å; I75-R77 VanDerWaalsContact C-N 3.33Å; I75-R77 PolarHBondContact O-N 3.48Å; R77-A80 WeakPolarHBondContact O-CB 3.4Å; R77-A80 PolarHBondContact O-N 3.17Å; R77-L81 PolarHBondContact O-N 2.83Å
78	R	98.7	Very high	98.4	Very high	36 Å²	36	18.5 Å²	18.5	14%	0.136	9%	0.092	C	C	.	.	H	α-helix	trans	-60.6	-46.8	175.1	-65.9	-179.3	-159.1	174.4	14.9	111.4	V21 T23 D74 I75 A80 L81 E82 D241 W255	V21-R78 VanDerWaalsContact CB-NH2 3.28Å; T23-R78 HydrophobicContact CG2-CG 4.09Å; T23-R78 WeakPolarHBondContact OG1-CG 3.43Å; D74-R78 WeakPolarHBondContact O-CG 3.3Å; D74-R78 PolarHBondContact O-N 3.01Å; D74-R78 IonicContact OD2-CZ 3.47Å; D74-R78 IonicContact OD2-NE 3.68Å; D74-R78 PolarHBondContact OD2-NE 2.8Å; D74-R78 IonicContact OD2-NH2 3.69Å; D74-R78 PolarHBondContact OD2-NH2 2.99Å; I75-R78 PolarHBondContact O-N 2.89Å; R78-A80 VanDerWaalsContact C-N 3.29Å; R78-A80 PolarHBondContact O-N 3.33Å; R78-L81 PolarHBondContact O-N 3.28Å; R78-E82 WeakPolarHBondContact O-CG 3.37Å; R78-E82 PolarHBondContact O-N 3.44Å; R78-D241 IonicContact CZ-OD2 2.69Å; R78-D241 IonicContact NH1-OD2 3.39Å; R78-D241 PolarHBondContact NH1-OD2 2.95Å; R78-D241 IonicContact NH2-OD1 3.49Å; R78-D241 IonicContact NH2-OD2 3.66Å; R78-D241 PolarHBondContact NH2-OD2 3.43Å; R78-W255 HydrophobicContact CB-CH2 3.43Å; R78-W255 VanDerWaalsContact CB-CH2 3.43Å; R78-W255 HydrophobicContact CB-CZ2 3.52Å; R78-W255 HydrophobicContact CB-CZ3 4.44Å; R78-W255 HydrophobicContact CG-CH2 4.42Å
79	L	98.8	Very high	98.4	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-63.3	-35.1	175.3	-74.7	167	0	0	0	112.3	V59 V61 I75 C76 L81 E82 G83 Y84 A86 T144 W255 M258 L259 F262	V59-L79 HydrophobicContact CB-CD1 4.11Å; V59-L79 HydrophobicContact CG1-CD1 3.66Å; V59-L79 HydrophobicContact CG2-CD2 4.47Å; V61-L79 HydrophobicContact CG2-CD1 3.52Å; I75-L79 HydrophobicContact CG2-CD1 4.08Å; I75-L79 WeakPolarHBondContact O-CG 3.26Å; I75-L79 PolarHBondContact O-N 3.38Å; C76-L79 PolarHBondContact O-N 3.45Å; L79-L81 VanDerWaalsContact C-N 3.33Å; L79-L81 PolarHBondContact O-N 3.34Å; L79-E82 CarbonylContact O-C 3.59Å; L79-E82 WeakPolarHBondContact O-CB 3.49Å; L79-E82 PolarHBondContact O-N 2.95Å; L79-E82 VanDerWaalsContact O-N 3.1Å; L79-G83 PolarHBondContact O-N 3.28Å; L79-Y84 HydrophobicContact CD2-CD2 4.17Å; L79-Y84 WeakPolarHBondContact O-CB 3.34Å; L79-Y84 WeakPolarHBondContact O-CD2 3.41Å; L79-Y84 PolarHBondContact O-N 3.2Å; L79-Y84 VanDerWaalsContact O-N 3.12Å; L79-A86 HydrophobicContact CB-CB 3.71Å; L79-A86 HydrophobicContact CD1-CB 4.09Å; L79-T144 HydrophobicContact CD1-CG2 4.38Å; L79-W255 HydrophobicContact CD2-CH2 4.1Å; L79-W255 HydrophobicContact CD2-CZ2 4.37Å; L79-W255 HydrophobicContact CG-CH2 3.89Å; L79-W255 HydrophobicContact CG-CZ2 4.47Å; L79-M258 HydrophobicContact CD2-CE 3.71Å; L79-L259 HydrophobicContact CD2-CD2 4.4Å; L79-F262 HydrophobicContact CD2-CE2 4.43Å
80	A	98.6	Very high	98.5	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.008	10%	0.096	C	C	.	.	H	α-helix	trans	-64	-37.9	174.7	0	0	0	0	0	112.4	I28 A47 P49 C76 R77 R78 E82 G83 Y84	I28-A80 HydrophobicContact CB-CB 4.21Å; I28-A80 HydrophobicContact CD1-CB 4.46Å; I28-A80 HydrophobicContact CG2-CB 3.65Å; A47-A80 HydrophobicContact CB-CB 3.63Å; P49-A80 WeakPolarHBondContact CD-O 3.25Å; P49-A80 VanDerWaalsContact CG-O 3.3Å; P49-A80 WeakPolarHBondContact CG-O 3.29Å; C76-A80 WeakPolarHBondContact O-CB 3.44Å; C76-A80 PolarHBondContact O-N 2.9Å; R77-A80 WeakPolarHBondContact O-CB 3.4Å; R77-A80 PolarHBondContact O-N 3.17Å; R78-A80 VanDerWaalsContact C-N 3.29Å; R78-A80 PolarHBondContact O-N 3.33Å; A80-E82 PolarHBondContact O-N 2.86Å; A80-G83 PolarHBondContact O-N 3.17Å; A80-G83 VanDerWaalsContact O-N 3.1Å; A80-Y84 WeakPolarHBondContact CA-O 3.31Å
81	L	98.2	Very high	98.5	Very high	81 Å²	81	17.4 Å²	17.4	42%	0.424	9%	0.086	S	C	.	.	H	α-helix	trans	-65.7	-25.1	172.4	-68	177.6	0	0	0	113	T23 A27 I28 R77 R78 L79 G83	T23-L81 HydrophobicContact CG2-CD1 3.33Å; T23-L81 HydrophobicContact CG2-CG 4.22Å; A27-L81 HydrophobicContact CB-CD2 3.9Å; I28-L81 HydrophobicContact CG2-CD2 3.72Å; I28-L81 HydrophobicContact CG2-CG 4.16Å; R77-L81 PolarHBondContact O-N 2.83Å; R78-L81 PolarHBondContact O-N 3.28Å; L79-L81 VanDerWaalsContact C-N 3.33Å; L79-L81 PolarHBondContact O-N 3.34Å; L81-G83 VanDerWaalsContact C-N 3.25Å; L81-G83 PolarHBondContact O-N 3.16Å
82	E	97.7	Very high	98.6	Very high	96 Å²	96	17.3 Å²	17.3	45%	0.449	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	3.9	174.1	-59.9	-70.6	174	0	0	113	R78 L79 A80 Y84 W255 L259	R78-E82 WeakPolarHBondContact O-CG 3.37Å; R78-E82 PolarHBondContact O-N 3.44Å; L79-E82 CarbonylContact O-C 3.59Å; L79-E82 WeakPolarHBondContact O-CB 3.49Å; L79-E82 PolarHBondContact O-N 2.95Å; L79-E82 VanDerWaalsContact O-N 3.1Å; A80-E82 PolarHBondContact O-N 2.86Å; E82-Y84 HydrophobicContact CB-CD2 3.77Å; E82-Y84 HydrophobicContact CB-CE2 3.77Å; E82-W255 HydrophobicContact CG-CZ2 4.45Å; E82-L259 HydrophobicContact CB-CD2 4.1Å; E82-L259 VanDerWaalsContact CD-CD1 3.48Å; E82-L259 HydrophobicContact CG-CD1 3.97Å; E82-L259 HydrophobicContact CG-CD2 3.88Å; E82-L259 WeakPolarHBondContact OE1-CD1 3.27Å
83	G	97.2	Very high	98.5	Very high	28 Å²	28	19.8 Å²	19.8	29%	0.289	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.6	17.2	174.9	0	0	0	0	0	115.4	L56 L79 A80 L81	L56-G83 WeakPolarHBondContact CD2-O 3.39Å; L79-G83 PolarHBondContact O-N 3.28Å; A80-G83 PolarHBondContact O-N 3.17Å; A80-G83 VanDerWaalsContact O-N 3.1Å; L81-G83 VanDerWaalsContact C-N 3.25Å; L81-G83 PolarHBondContact O-N 3.16Å
84	Y	98.4	Very high	98.5	Very high	24 Å²	24	20.8 Å²	20.8	9%	0.094	10%	0.1	C	C	.	.			trans	-100.1	151.8	178.6	-59.9	-84.2	0	0	0	112.7	P49 P57 V59 L79 A80 E82 A86 M142 L259	P49-Y84 WeakPolarHBondContact CD-O 3.21Å; P57-Y84 HydrophobicContact CB-CD1 3.72Å; P57-Y84 HydrophobicContact CB-CE1 3.96Å; P57-Y84 HydrophobicContact CG-CD1 3.54Å; P57-Y84 HydrophobicContact CG-CE1 3.87Å; P57-Y84 HydrophobicContact CG-CG 4.37Å; P57-Y84 WeakPolarHBondContact O-CA 3.42Å; V59-Y84 HydrophobicContact CG2-CD1 3.45Å; V59-Y84 VanDerWaalsContact CG2-CD1 3.45Å; V59-Y84 HydrophobicContact CG2-CD2 4.43Å; V59-Y84 HydrophobicContact CG2-CE1 4.06Å; V59-Y84 HydrophobicContact CG2-CG 3.68Å; L79-Y84 HydrophobicContact CD2-CD2 4.17Å; L79-Y84 WeakPolarHBondContact O-CB 3.34Å; L79-Y84 WeakPolarHBondContact O-CD2 3.41Å; L79-Y84 PolarHBondContact O-N 3.2Å; L79-Y84 VanDerWaalsContact O-N 3.12Å; A80-Y84 WeakPolarHBondContact CA-O 3.31Å; E82-Y84 HydrophobicContact CB-CD2 3.77Å; E82-Y84 HydrophobicContact CB-CE2 3.77Å; Y84-A86 PolarHBondContact O-N 3.31Å; Y84-M142 HydrophobicContact CD1-CE 3.99Å; Y84-M142 HydrophobicContact CE1-CE 3.81Å; Y84-M142 HydrophobicContact CE1-SD 4.01Å; Y84-L259 HydrophobicContact CE2-CD2 4.04Å
85	L	98.7	Very high	98.5	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	102.4	155.4	171.9	59.3	0	0	0	107.5	R48 L56 P57 V58 V59 I87 A131	R48-L85 HydrophobicContact CB-CD1 3.99Å; L56-L85 HydrophobicContact CB-CB 3.92Å; L56-L85 HydrophobicContact CD1-CB 4.15Å; P57-L85 PolarHBondContact O-N 3.15Å; V58-L85 WeakPolarHBondContact CA-O 3.5Å; V58-L85 HydrophobicContact CG2-CD2 4.46Å; V59-L85 PolarHBondContact N-O 3.47Å; L85-I87 HydrophobicContact CD1-CG1 4.2Å; L85-I87 HydrophobicContact CD2-CD1 4.18Å; L85-I87 HydrophobicContact CG-CD1 4.05Å; L85-I87 HydrophobicContact CG-CG1 4.08Å; L85-A131 HydrophobicContact CD2-CB 4.22Å
86	A	98.9	Very high	98.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	132.9	178.7	0	0	0	0	0	110.7	H46 A47 V59 V61 C76 L79 Y84	H46-A86 CarbonylContact C-O 3.54Å; H46-A86 WeakPolarHBondContact CA-O 3.12Å; A47-A86 PolarHBondContact N-O 3.2Å; A47-A86 PolarHBondContact O-N 3.32Å; V59-A86 VanDerWaalsContact O-CA 3.29Å; V59-A86 WeakPolarHBondContact O-CA 3.3Å; V61-A86 HydrophobicContact CG2-CB 4.33Å; C76-A86 HydrophobicContact CB-CB 3.88Å; C76-A86 WeakPolarHBondContact O-CB 3.44Å; L79-A86 HydrophobicContact CB-CB 3.71Å; L79-A86 HydrophobicContact CD1-CB 4.09Å; Y84-A86 PolarHBondContact O-N 3.31Å
87	I	98.9	Very high	98.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	121.3	-176.4	-52.1	158.8	0	0	0	109.7	I35 A44 Y45 H46 V58 V59 I60 V61 L85 V127 W130 A131	I35-I87 HydrophobicContact CD1-CG2 3.92Å; A44-I87 HydrophobicContact CB-CG2 4.37Å; Y45-I87 CarbonylContact O-C 3.53Å; Y45-I87 WeakPolarHBondContact O-CA 3.04Å; H46-I87 HydrophobicContact CB-CG1 4.28Å; V58-I87 HydrophobicContact CG1-CD1 4.1Å; V59-I87 PolarHBondContact O-N 2.88Å; I60-I87 CarbonylContact C-O 3.57Å; I60-I87 WeakPolarHBondContact CA-O 3.43Å; V61-I87 PolarHBondContact N-O 3.21Å; L85-I87 HydrophobicContact CD1-CG1 4.2Å; L85-I87 HydrophobicContact CD2-CD1 4.18Å; L85-I87 HydrophobicContact CG-CD1 4.05Å; L85-I87 HydrophobicContact CG-CG1 4.08Å; I87-V127 HydrophobicContact CB-CG1 3.93Å; I87-V127 HydrophobicContact CD1-CG1 4.01Å; I87-V127 HydrophobicContact CG2-CG1 3.65Å; I87-W130 HydrophobicContact CD1-CE3 3.71Å; I87-W130 HydrophobicContact CD1-CZ3 3.63Å; I87-W130 HydrophobicContact CG1-CE3 4.45Å; I87-W130 HydrophobicContact CG1-CZ3 3.99Å; I87-A131 HydrophobicContact CD1-CB 3.66Å
88	A	98.9	Very high	98.3	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	102.7	172.9	0	0	0	0	0	110.5	A44 Y45 V61 V68 I72 C76	A44-A88 CarbonylContact C-O 3.48Å; A44-A88 VanDerWaalsContact CA-O 3.27Å; A44-A88 WeakPolarHBondContact CA-O 3.45Å; Y45-A88 PolarHBondContact N-O 3.5Å; Y45-A88 PolarHBondContact O-N 3.41Å; V61-A88 HydrophobicContact CB-CB 4.2Å; V61-A88 WeakPolarHBondContact O-CA 3.42Å; V61-A88 WeakPolarHBondContact O-CB 3.42Å; V68-A88 HydrophobicContact CG1-CB 3.72Å; V68-A88 HydrophobicContact CG2-CB 4.13Å; I72-A88 HydrophobicContact CG2-CB 3.54Å; C76-A88 VanDerWaalsContact SG-CB 3.6Å
89	P	98.9	Very high	98.2	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	141.3	172.2	31.5	-35.9	0	0	0	111.5	M42 Q63 V68 L91 L124 V127	M42-P89 HydrophobicContact CE-CB 3.5Å; M42-P89 HydrophobicContact CG-CB 4.49Å; M42-P89 HydrophobicContact SD-CB 3.69Å; Q63-P89 PolarHBondContact OE1-O 3.49Å; V68-P89 VanDerWaalsContact CG2-O 3.31Å; V68-P89 WeakPolarHBondContact CG2-O 3.43Å; P89-L91 HydrophobicContact CB-CD2 4.11Å; P89-L91 HydrophobicContact CB-CG 4.26Å; P89-L91 HydrophobicContact CG-CD1 4.23Å; P89-L91 HydrophobicContact CG-CD2 3.89Å; P89-L91 HydrophobicContact CG-CG 3.9Å; P89-L91 PolarHBondContact O-N 2.8Å; P89-L91 VanDerWaalsContact O-N 3.16Å; P89-L124 HydrophobicContact CG-CD2 4.11Å; P89-V127 HydrophobicContact CB-CG2 3.72Å; P89-V127 HydrophobicContact CG-CG2 3.85Å
90	E	98.7	Very high	98.2	Very high	30 Å²	30	35 Å²	35	14%	0.14	19%	0.187	C	C	.	.			trans	-79.5	92.2	170	-177.3	55.4	-105.2	0	0	109.4	P43 Q63 G67 V68 Y92 F93	P43-E90 HydrophobicContact CB-CB 4.11Å; P43-E90 WeakPolarHBondContact O-CB 3.42Å; P43-E90 PolarHBondContact O-N 2.94Å; Q63-E90 PolarHBondContact NE2-OE1 3.39Å; Q63-E90 PolarHBondContact OE1-OE1 2.95Å; G67-E90 WeakPolarHBondContact CA-OE1 3.49Å; G67-E90 WeakPolarHBondContact CA-OE2 3.48Å; V68-E90 HydrophobicContact CG2-CB 4.07Å; V68-E90 PolarHBondContact N-OE2 2.87Å; E90-Y92 PolarHBondContact O-N 3.29Å; E90-F93 HydrophobicContact CG-CB 4.1Å; E90-F93 WeakPolarHBondContact O-CD1 3.41Å; E90-F93 PolarHBondContact O-N 3.25Å
91	L	98.8	Very high	98.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-7.3	-168.9	-68.6	165.6	0	0	0	114	M42 V62 Q63 P89 V120 D123 L124 W148	M42-L91 HydrophobicContact SD-CD2 4.2Å; V62-L91 HydrophobicContact CG1-CD1 3.62Å; Q63-L91 VanDerWaalsContact OE1-N 3.15Å; P89-L91 HydrophobicContact CB-CD2 4.11Å; P89-L91 HydrophobicContact CB-CG 4.26Å; P89-L91 HydrophobicContact CG-CD1 4.23Å; P89-L91 HydrophobicContact CG-CD2 3.89Å; P89-L91 HydrophobicContact CG-CG 3.9Å; P89-L91 PolarHBondContact O-N 2.8Å; P89-L91 VanDerWaalsContact O-N 3.16Å; L91-V120 HydrophobicContact CB-CG2 4.49Å; L91-V120 HydrophobicContact CD1-CG1 3.92Å; L91-V120 HydrophobicContact CD2-CG1 4.16Å; L91-D123 HydrophobicContact CD2-CB 3.75Å; L91-L124 HydrophobicContact CD1-CD2 4.44Å; L91-W148 HydrophobicContact CB-CH2 4.13Å; L91-W148 HydrophobicContact CB-CZ3 4.29Å; L91-W148 HydrophobicContact CD1-CH2 4.09Å; L91-W148 HydrophobicContact CD1-CZ3 3.82Å
92	Y	98.6	Very high	98	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	-3.4	179.4	-60.3	-21.4	0	0	0	113.5	Q63 I65 E90 R94 E95 G96 P98 L111 V112 V115 W148	Q63-Y92 VanDerWaalsContact NE2-CG 3.27Å; I65-Y92 WeakPolarHBondContact O-CE2 3.36Å; E90-Y92 PolarHBondContact O-N 3.29Å; Y92-R94 PolarHBondContact O-N 3.24Å; Y92-E95 PolarHBondContact O-N 2.92Å; Y92-G96 CarbonylContact C-O 3.58Å; Y92-G96 PolarHBondContact O-N 2.89Å; Y92-P98 HydrophobicContact CD2-CG 3.69Å; Y92-P98 HydrophobicContact CE2-CG 4.41Å; Y92-L111 HydrophobicContact CD2-CD2 3.99Å; Y92-L111 HydrophobicContact CD2-CG 4.34Å; Y92-L111 HydrophobicContact CG-CD2 4.31Å; Y92-L111 HydrophobicContact CG-CG 4.35Å; Y92-V112 HydrophobicContact CE2-CG2 4.02Å; Y92-V115 HydrophobicContact CD1-CB 4.18Å; Y92-V115 HydrophobicContact CD1-CG1 4.01Å; Y92-V115 HydrophobicContact CD1-CG2 3.44Å; Y92-V115 VanDerWaalsContact CD1-CG2 3.44Å; Y92-V115 HydrophobicContact CE1-CB 4.33Å; Y92-V115 HydrophobicContact CE1-CG1 4.28Å; Y92-V115 HydrophobicContact CE1-CG2 3.9Å; Y92-V115 HydrophobicContact CG-CG2 4.23Å; Y92-W148 HydrophobicContact CD1-CH2 4.45Å; Y92-W148 HydrophobicContact CE1-CD2 4.2Å; Y92-W148 AromaticContact CE1-CE2 3.98Å; Y92-W148 HydrophobicContact CE1-CE3 4.12Å; Y92-W148 AromaticContact CE1-CH2 3.66Å; Y92-W148 HydrophobicContact CE1-CH2 3.66Å; Y92-W148 AromaticContact CE1-CZ2 3.73Å; Y92-W148 HydrophobicContact CE1-CZ2 3.73Å; Y92-W148 AromaticContact CE1-CZ3 3.86Å; Y92-W148 HydrophobicContact CE1-CZ3 3.86Å
93	F	98.1	Very high	98	Very high	51 Å²	51	35.4 Å²	35.4	22%	0.224	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-20.7	-167.4	82	-75.8	0	0	0	115.3	D40 M42 P43 E90	D40-F93 HydrophobicContact CB-CE2 3.78Å; D40-F93 HydrophobicContact CB-CZ 3.95Å; M42-F93 HydrophobicContact CB-CD1 4.21Å; M42-F93 HydrophobicContact CB-CE1 3.58Å; M42-F93 HydrophobicContact CB-CE2 4.28Å; M42-F93 HydrophobicContact CB-CZ 3.61Å; M42-F93 HydrophobicContact CG-CD1 3.72Å; M42-F93 HydrophobicContact CG-CE1 3.46Å; M42-F93 VanDerWaalsContact CG-CE1 3.46Å; M42-F93 HydrophobicContact CG-CG 4.42Å; M42-F93 HydrophobicContact CG-CZ 4.04Å; M42-F93 HydrophobicContact SD-CD1 4.3Å; M42-F93 HydrophobicContact SD-CE1 3.85Å; P43-F93 HydrophobicContact CG-CB 4.36Å; E90-F93 HydrophobicContact CG-CB 4.1Å; E90-F93 WeakPolarHBondContact O-CD1 3.41Å; E90-F93 PolarHBondContact O-N 3.25Å
94	R	98	Very high	98	Very high	63 Å²	63	37 Å²	37	24%	0.238	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-27.8	176.3	-61.9	-167.2	-172	81.7	-1.6	112.7	S37 D40 Y92 Q119 D123	S37-R94 PolarHBondContact O-NH2 2.83Å; D40-R94 IonicContact OD2-CZ 2.73Å; D40-R94 IonicContact OD2-NE 3.44Å; D40-R94 PolarHBondContact OD2-NE 3.16Å; Y92-R94 PolarHBondContact O-N 3.24Å; R94-Q119 VanDerWaalsContact NH1-CG 3.34Å; R94-D123 IonicContact CZ-OD1 3.86Å; R94-D123 IonicContact CZ-OD2 3.63Å; R94-D123 IonicContact NH1-OD1 2.82Å; R94-D123 PolarHBondContact NH1-OD1 3.24Å; R94-D123 IonicContact NH1-OD2 3.81Å; R94-D123 PolarHBondContact NH1-OD2 3.23Å; R94-D123 IonicContact NH2-OD1 3.48Å; R94-D123 PolarHBondContact NH2-OD1 3.26Å; R94-D123 IonicContact NH2-OD2 3.73Å
95	E	98	Very high	98	Very high	52 Å²	52	40.1 Å²	40.1	24%	0.243	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	-21.2	-176.1	-67.3	71.7	-155.2	0	0	113.1	Y92 L111 K114 V115 Q119	Y92-E95 PolarHBondContact O-N 2.92Å; E95-L111 HydrophobicContact CB-CD1 3.59Å; E95-K114 HydrophobicContact CB-CB 4.43Å; E95-K114 HydrophobicContact CG-CB 4.09Å; E95-V115 HydrophobicContact CB-CG2 4.12Å; E95-V115 HydrophobicContact CG-CG2 3.95Å; E95-Q119 PolarHBondContact OE1-NE2 2.76Å; E95-Q119 PolarHBondContact OE1-OE1 3.34Å; E95-Q119 PolarHBondContact OE2-NE2 3.39Å
96	G	97.5	Very high	98	Very high	31 Å²	31	42.9 Å²	42.9	32%	0.32	24%	0.243	S	C	.	.			trans	152.1	-171.4	176.1	0	0	0	0	0	114.1	Y92 L111	Y92-G96 CarbonylContact C-O 3.58Å; Y92-G96 PolarHBondContact O-N 2.89Å; G96-L111 VanDerWaalsContact N-CD1 3.33Å
97	D	97.7	Very high	97.9	Very high	69 Å²	69	42.9 Å²	42.9	37%	0.369	24%	0.243	S	C	.	.			trans	-110.8	124.6	178.9	-169.9	-24.7	0	0	0	110.6	N99 D100 F101	D97-N99 PolarHBondContact O-N 3.46Å; D97-N99 VanDerWaalsContact OD1-CB 3.29Å; D97-N99 WeakPolarHBondContact OD1-CB 3.29Å; D97-N99 PolarHBondContact OD1-N 3.1Å; D97-N99 PolarHBondContact OD1-ND2 3.41Å; D97-D100 WeakPolarHBondContact O-CB 3.43Å; D97-D100 PolarHBondContact O-N 3.37Å; D97-F101 WeakPolarHBondContact O-CD2 3.29Å; D97-F101 WeakPolarHBondContact O-CE2 3.5Å
98	P	97.7	Very high	97.9	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.013	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-54.5	-22.7	172.5	-30	39.3	0	0	0	114.9	A10 Y92 D100 F101 L107 L111	A10-P98 HydrophobicContact CB-CB 4.49Å; Y92-P98 HydrophobicContact CD2-CG 3.69Å; Y92-P98 HydrophobicContact CE2-CG 4.41Å; P98-D100 PolarHBondContact O-N 3.18Å; P98-F101 PolarHBondContact O-N 3.1Å; P98-L107 HydrophobicContact CB-CD1 4.01Å; P98-L111 HydrophobicContact CB-CD2 4.33Å; P98-L111 HydrophobicContact CG-CD2 3.65Å
99	N	96.6	Very high	97.8	Very high	75 Å²	75	50.3 Å²	50.3	40%	0.401	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-70.4	-15.5	177.5	-65.9	-73.6	0	0	0	113.5	P11 D97 F101	P11-N99 WeakPolarHBondContact CG-O 3.28Å; D97-N99 PolarHBondContact O-N 3.46Å; D97-N99 VanDerWaalsContact OD1-CB 3.29Å; D97-N99 WeakPolarHBondContact OD1-CB 3.29Å; D97-N99 PolarHBondContact OD1-N 3.1Å; D97-N99 PolarHBondContact OD1-ND2 3.41Å; N99-F101 PolarHBondContact O-N 3.49Å
100	D	97.5	Very high	97.7	Very high	131 Å²	131	51.2 Å²	51.2	70%	0.701	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-78.5	-6.2	176.8	-65.4	-29.4	0	0	0	112.9	D97 P98	D97-D100 WeakPolarHBondContact O-CB 3.43Å; D97-D100 PolarHBondContact O-N 3.37Å; P98-D100 PolarHBondContact O-N 3.18Å
101	F	97.8	Very high	97.7	Very high	39 Å²	39	49.8 Å²	49.8	17%	0.171	29%	0.291	C	S	.	.			trans	-112.2	127.1	-173.8	-59.9	-89.4	0	0	0	112.3	A12 D97 P98 N99 T106 L107 L111	A12-F101 PolarHBondContact N-O 3.12Å; D97-F101 WeakPolarHBondContact O-CD2 3.29Å; D97-F101 WeakPolarHBondContact O-CE2 3.5Å; P98-F101 PolarHBondContact O-N 3.1Å; N99-F101 PolarHBondContact O-N 3.49Å; F101-T106 VanDerWaalsContact CD1-C 3.43Å; F101-T106 WeakPolarHBondContact CD1-O 3.46Å; F101-T106 WeakPolarHBondContact CE1-O 3.42Å; F101-L107 HydrophobicContact CB-CB 3.74Å; F101-L107 HydrophobicContact CB-CD1 4.14Å; F101-L107 HydrophobicContact CB-CG 4.47Å; F101-L107 HydrophobicContact CD1-CB 4.43Å; F101-L107 HydrophobicContact CD2-CD1 3.76Å; F101-L107 HydrophobicContact CE2-CD1 4.43Å; F101-L107 HydrophobicContact CG-CB 4.02Å; F101-L107 HydrophobicContact CG-CD1 4.02Å; F101-L111 HydrophobicContact CD2-CB 4.5Å; F101-L111 HydrophobicContact CD2-CD2 4.43Å; F101-L111 HydrophobicContact CE2-CB 3.71Å; F101-L111 HydrophobicContact CE2-CD2 3.97Å; F101-L111 HydrophobicContact CE2-CG 4.41Å; F101-L111 HydrophobicContact CZ-CB 3.83Å
102	A	95.9	Very high	97.7	Very high	79 Å²	79	50.3 Å²	50.3	65%	0.653	29%	0.294	S	S	*	.	S	Bend	trans	-85.1	-21.4	-177.8	0	0	0	0	0	113.8	A12	A12-A102 WeakPolarHBondContact CA-O 3.45Å
103	D	97	Very high	97.6	Very high	68 Å²	68	53.4 Å²	53.4	36%	0.364	32%	0.32	S	S	.	.	S	Bend	trans	-142.8	160.4	-176.8	63	66.1	0	0	0	112.5	P105 T106 L107	D103-P105 VanDerWaalsContact OD1-CD 3.28Å; D103-P105 WeakPolarHBondContact OD1-CD 3.5Å; D103-T106 PolarHBondContact O-OG1 3.35Å; D103-T106 VanDerWaalsContact O-OG1 3.09Å; D103-T106 WeakPolarHBondContact OD1-CB 3.42Å; D103-T106 WeakPolarHBondContact OD1-CG2 3.35Å; D103-T106 PolarHBondContact OD1-N 3.34Å; D103-T106 PolarHBondContact OD1-OG1 2.82Å; D103-T106 PolarHBondContact OD2-OG1 3.03Å; D103-L107 VanDerWaalsContact O-CB 3.31Å; D103-L107 WeakPolarHBondContact O-CB 3.33Å; D103-L107 PolarHBondContact O-N 3.07Å; D103-L107 VanDerWaalsContact O-N 3.09Å
104	I	97.3	Very high	97.6	Very high	62 Å²	62	56.4 Å²	56.4	32%	0.318	33%	0.333	S	S	.	.	H	α-helix	trans	-63.8	-45.3	-176.2	-68.6	172.1	0	0	0	112.6	I65 F66 T106 L107 L108	I65-I104 HydrophobicContact CD1-CG1 4.29Å; I65-I104 HydrophobicContact CD1-CG2 3.87Å; F66-I104 HydrophobicContact CE1-CG1 4.04Å; F66-I104 HydrophobicContact CZ-CD1 4.1Å; F66-I104 HydrophobicContact CZ-CG1 4.06Å; I104-T106 PolarHBondContact O-N 2.76Å; I104-L107 PolarHBondContact O-N 2.8Å; I104-L108 HydrophobicContact CG2-CD1 3.65Å; I104-L108 HydrophobicContact CG2-CG 4.06Å; I104-L108 WeakPolarHBondContact O-CB 3.31Å; I104-L108 VanDerWaalsContact O-CG 3.3Å; I104-L108 WeakPolarHBondContact O-CG 3.32Å; I104-L108 PolarHBondContact O-N 2.94Å
105	P	98.1	Very high	97.6	Very high	89 Å²	89	53.5 Å²	53.5	58%	0.578	32%	0.322	S	S	*	.	H	α-helix	trans	-57.9	-44.3	179	-28.2	36	0	0	0	114.2	D103 S109	D103-P105 VanDerWaalsContact OD1-CD 3.28Å; D103-P105 WeakPolarHBondContact OD1-CD 3.5Å; P105-S109 PolarHBondContact O-N 2.88Å; P105-S109 VanDerWaalsContact O-N 3.09Å; P105-S109 PolarHBondContact O-OG 3Å
106	T	98.1	Very high	97.6	Very high	59 Å²	59	52.2 Å²	52.2	36%	0.362	32%	0.318	S	S	.	.	H	α-helix	trans	-70.2	-38.2	178.4	54.6	0	0	0	0	111.6	F101 D103 I104 S109 G110	F101-T106 VanDerWaalsContact CD1-C 3.43Å; F101-T106 WeakPolarHBondContact CD1-O 3.46Å; F101-T106 WeakPolarHBondContact CE1-O 3.42Å; D103-T106 PolarHBondContact O-OG1 3.35Å; D103-T106 VanDerWaalsContact O-OG1 3.09Å; D103-T106 WeakPolarHBondContact OD1-CB 3.42Å; D103-T106 WeakPolarHBondContact OD1-CG2 3.35Å; D103-T106 PolarHBondContact OD1-N 3.34Å; D103-T106 PolarHBondContact OD1-OG1 2.82Å; D103-T106 PolarHBondContact OD2-OG1 3.03Å; I104-T106 PolarHBondContact O-N 2.76Å; T106-S109 PolarHBondContact O-OG 2.97Å; T106-G110 VanDerWaalsContact O-CA 3.29Å; T106-G110 WeakPolarHBondContact O-CA 3.27Å; T106-G110 PolarHBondContact O-N 3.16Å
107	L	98.5	Very high	97.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-59.9	-47.3	172.7	174.7	58.5	0	0	0	112.3	A12 I65 F66 P98 F101 D103 I104 L111 V112	A12-L107 HydrophobicContact CB-CD2 3.89Å; I65-L107 HydrophobicContact CB-CD2 4.41Å; I65-L107 HydrophobicContact CD1-CD2 4.23Å; I65-L107 HydrophobicContact CG1-CD2 4.17Å; I65-L107 WeakPolarHBondContact O-CD2 3.41Å; F66-L107 HydrophobicContact CD1-CD2 3.63Å; F66-L107 HydrophobicContact CE1-CD2 3.75Å; P98-L107 HydrophobicContact CB-CD1 4.01Å; F101-L107 HydrophobicContact CB-CB 3.74Å; F101-L107 HydrophobicContact CB-CD1 4.14Å; F101-L107 HydrophobicContact CB-CG 4.47Å; F101-L107 HydrophobicContact CD1-CB 4.43Å; F101-L107 HydrophobicContact CD2-CD1 3.76Å; F101-L107 HydrophobicContact CE2-CD1 4.43Å; F101-L107 HydrophobicContact CG-CB 4.02Å; F101-L107 HydrophobicContact CG-CD1 4.02Å; D103-L107 VanDerWaalsContact O-CB 3.31Å; D103-L107 WeakPolarHBondContact O-CB 3.33Å; D103-L107 PolarHBondContact O-N 3.07Å; D103-L107 VanDerWaalsContact O-N 3.09Å; I104-L107 PolarHBondContact O-N 2.8Å; L107-L111 HydrophobicContact CD1-CB 4.26Å; L107-L111 HydrophobicContact CD1-CD2 3.96Å; L107-L111 WeakPolarHBondContact O-CB 3.23Å; L107-L111 PolarHBondContact O-N 2.8Å; L107-V112 HydrophobicContact CD1-CG2 4.48Å; L107-V112 HydrophobicContact CG-CG2 4.34Å; L107-V112 PolarHBondContact O-N 3.21Å; L107-V112 VanDerWaalsContact O-N 3.15Å
108	L	97.7	Very high	97.7	Very high	73 Å²	73	52.1 Å²	52.1	38%	0.382	32%	0.318	S	S	.	.	H	α-helix	trans	-63	-49.1	-179.7	-74.5	172.5	0	0	0	112	I65 I104 V112 A113	I65-L108 HydrophobicContact CB-CD2 4.49Å; I65-L108 HydrophobicContact CD1-CD2 4.18Å; I65-L108 HydrophobicContact CD1-CG 4.43Å; I65-L108 HydrophobicContact CG2-CD2 3.9Å; I104-L108 HydrophobicContact CG2-CD1 3.65Å; I104-L108 HydrophobicContact CG2-CG 4.06Å; I104-L108 WeakPolarHBondContact O-CB 3.31Å; I104-L108 VanDerWaalsContact O-CG 3.3Å; I104-L108 WeakPolarHBondContact O-CG 3.32Å; I104-L108 PolarHBondContact O-N 2.94Å; L108-V112 HydrophobicContact CD2-CB 4.2Å; L108-V112 HydrophobicContact CD2-CG1 4.32Å; L108-V112 HydrophobicContact CD2-CG2 4.23Å; L108-V112 PolarHBondContact O-N 2.93Å; L108-A113 WeakPolarHBondContact O-CB 3.43Å; L108-A113 PolarHBondContact O-N 2.83Å
109	S	97.2	Very high	97.8	Very high	83 Å²	83	53.4 Å²	53.4	58%	0.58	32%	0.323	S	S	*	.	H	α-helix	trans	-77.4	-36.1	-176.6	56.4	0	0	0	0	113.2	P105 T106	P105-S109 PolarHBondContact O-N 2.88Å; P105-S109 VanDerWaalsContact O-N 3.09Å; P105-S109 PolarHBondContact O-OG 3Å; T106-S109 PolarHBondContact O-OG 2.97Å
110	G	97.7	Very high	97.9	Very high	19 Å²	19	49.8 Å²	49.8	20%	0.196	30%	0.304	C	S	.	.	H	α-helix	trans	-83.3	-25.4	-175.2	0	0	0	0	0	114.4	T106 K114	T106-G110 VanDerWaalsContact O-CA 3.29Å; T106-G110 WeakPolarHBondContact O-CA 3.27Å; T106-G110 PolarHBondContact O-N 3.16Å; G110-K114 WeakPolarHBondContact O-CD 3.43Å; G110-K114 WeakPolarHBondContact O-CE 3.49Å; G110-K114 PolarHBondContact O-NZ 2.78Å
111	L	98.4	Very high	97.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.7	-66.5	-176.4	-178.3	58.3	0	0	0	112.6	Y92 E95 G96 P98 F101 L107 A113 K114	Y92-L111 HydrophobicContact CD2-CD2 3.99Å; Y92-L111 HydrophobicContact CD2-CG 4.34Å; Y92-L111 HydrophobicContact CG-CD2 4.31Å; Y92-L111 HydrophobicContact CG-CG 4.35Å; E95-L111 HydrophobicContact CB-CD1 3.59Å; G96-L111 VanDerWaalsContact N-CD1 3.33Å; P98-L111 HydrophobicContact CB-CD2 4.33Å; P98-L111 HydrophobicContact CG-CD2 3.65Å; F101-L111 HydrophobicContact CD2-CB 4.5Å; F101-L111 HydrophobicContact CD2-CD2 4.43Å; F101-L111 HydrophobicContact CE2-CB 3.71Å; F101-L111 HydrophobicContact CE2-CD2 3.97Å; F101-L111 HydrophobicContact CE2-CG 4.41Å; F101-L111 HydrophobicContact CZ-CB 3.83Å; L107-L111 HydrophobicContact CD1-CB 4.26Å; L107-L111 HydrophobicContact CD1-CD2 3.96Å; L107-L111 WeakPolarHBondContact O-CB 3.23Å; L107-L111 PolarHBondContact O-N 2.8Å; L111-A113 VanDerWaalsContact C-N 3.31Å; L111-A113 PolarHBondContact O-N 2.8Å; L111-K114 WeakPolarHBondContact O-CB 3.13Å; L111-K114 PolarHBondContact O-N 2.86Å
112	V	98.1	Very high	98	Very high	12 Å²	12	44 Å²	44	7%	0.073	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-57.6	-41.1	-167.2	-178.8	0	0	0	0	112.8	I65 Y92 L107 L108 K114 V115 W148	I65-V112 HydrophobicContact CB-CG2 3.96Å; I65-V112 HydrophobicContact CG2-CG1 4.32Å; I65-V112 HydrophobicContact CG2-CG2 4.12Å; Y92-V112 HydrophobicContact CE2-CG2 4.02Å; L107-V112 HydrophobicContact CD1-CG2 4.48Å; L107-V112 HydrophobicContact CG-CG2 4.34Å; L107-V112 PolarHBondContact O-N 3.21Å; L107-V112 VanDerWaalsContact O-N 3.15Å; L108-V112 HydrophobicContact CD2-CB 4.2Å; L108-V112 HydrophobicContact CD2-CG1 4.32Å; L108-V112 HydrophobicContact CD2-CG2 4.23Å; L108-V112 PolarHBondContact O-N 2.93Å; V112-K114 PolarHBondContact O-N 2.8Å; V112-V115 PolarHBondContact O-N 3.1Å; V112-W148 HydrophobicContact CG1-CG 4.34Å
113	A	96.7	Very high	98.1	Very high	64 Å²	64	40.2 Å²	40.2	53%	0.529	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-66	-16.9	-179.8	0	0	0	0	0	114.1	L108 L111 N180	L108-A113 WeakPolarHBondContact O-CB 3.43Å; L108-A113 PolarHBondContact O-N 2.83Å; L111-A113 VanDerWaalsContact C-N 3.31Å; L111-A113 PolarHBondContact O-N 2.8Å; A113-N180 PolarHBondContact O-ND2 3.18Å
114	K	97.8	Very high	98.2	Very high	114 Å²	114	37 Å²	37	50%	0.496	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-89.4	-13.3	-177.6	-60.6	178.1	-177.6	166.5	0	113.2	E95 G110 L111 V112 P116 N180	E95-K114 HydrophobicContact CB-CB 4.43Å; E95-K114 HydrophobicContact CG-CB 4.09Å; G110-K114 WeakPolarHBondContact O-CD 3.43Å; G110-K114 WeakPolarHBondContact O-CE 3.49Å; G110-K114 PolarHBondContact O-NZ 2.78Å; L111-K114 WeakPolarHBondContact O-CB 3.13Å; L111-K114 PolarHBondContact O-N 2.86Å; V112-K114 PolarHBondContact O-N 2.8Å; K114-P116 VanDerWaalsContact O-CD 3.27Å; K114-P116 WeakPolarHBondContact O-CD 3.41Å; K114-N180 PolarHBondContact O-ND2 2.82Å
115	V	98.4	Very high	98.3	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.012	23%	0.227	C	C	.	.	S	Bend	trans	-84.2	113.7	-172.9	-176.9	0	0	0	0	109.4	Y92 E95 V112 V120 W148	Y92-V115 HydrophobicContact CD1-CB 4.18Å; Y92-V115 HydrophobicContact CD1-CG1 4.01Å; Y92-V115 HydrophobicContact CD1-CG2 3.44Å; Y92-V115 VanDerWaalsContact CD1-CG2 3.44Å; Y92-V115 HydrophobicContact CE1-CB 4.33Å; Y92-V115 HydrophobicContact CE1-CG1 4.28Å; Y92-V115 HydrophobicContact CE1-CG2 3.9Å; Y92-V115 HydrophobicContact CG-CG2 4.23Å; E95-V115 HydrophobicContact CB-CG2 4.12Å; E95-V115 HydrophobicContact CG-CG2 3.95Å; V112-V115 PolarHBondContact O-N 3.1Å; V115-V120 HydrophobicContact CG1-CG2 3.54Å; V115-W148 HydrophobicContact CG1-CZ2 4.23Å
116	P	98.5	Very high	98.3	Very high	26 Å²	26	35.4 Å²	35.4	17%	0.169	22%	0.215	C	C	.	.			trans	-76.4	138.2	-177.4	-15	31.4	0	0	0	112.3	K114 S118 Q119 V120	K114-P116 VanDerWaalsContact O-CD 3.27Å; K114-P116 WeakPolarHBondContact O-CD 3.41Å; P116-S118 VanDerWaalsContact C-N 3.26Å; P116-S118 PolarHBondContact O-N 2.82Å; P116-Q119 HydrophobicContact CB-CB 4.29Å; P116-Q119 HydrophobicContact CG-CB 4.44Å; P116-Q119 WeakPolarHBondContact O-CB 3.17Å; P116-Q119 PolarHBondContact O-N 2.77Å; P116-V120 WeakPolarHBondContact O-CG2 3.31Å; P116-V120 PolarHBondContact O-N 3.33Å; P116-V120 VanDerWaalsContact O-N 3.16Å
117	D	98.7	Very high	98.3	Very high	7 Å²	7	32.6 Å²	32.6	4%	0.037	20%	0.198	C	C	.	.	H	α-helix	trans	-57	-40.4	176.3	-73.7	-14.8	0	0	0	111.8	Q119 V120 L121 R151 L155 N180 S181	D117-Q119 VanDerWaalsContact C-N 3.31Å; D117-Q119 PolarHBondContact O-N 3.47Å; D117-V120 PolarHBondContact O-N 3.13Å; D117-L121 WeakPolarHBondContact O-CB 3.39Å; D117-L121 WeakPolarHBondContact O-CG 3.36Å; D117-L121 PolarHBondContact O-N 3.36Å; D117-R151 IonicContact OD1-CZ 3.84Å; D117-R151 IonicContact OD1-NH1 3.67Å; D117-R151 PolarHBondContact OD1-NH1 3.18Å; D117-R151 IonicContact OD1-NH2 3.87Å; D117-R151 IonicContact OD2-CZ 3.43Å; D117-R151 IonicContact OD2-NH1 2.72Å; D117-R151 PolarHBondContact OD2-NH1 2.93Å; D117-R151 IonicContact OD2-NH2 3.65Å; D117-R151 PolarHBondContact OD2-NH2 2.79Å; D117-L155 WeakPolarHBondContact OD2-CD1 3.28Å; D117-N180 WeakPolarHBondContact CB-O 3.35Å; D117-N180 PolarHBondContact N-O 2.75Å; D117-S181 WeakPolarHBondContact OD2-CA 3.37Å
118	S	98.4	Very high	98.3	Very high	91 Å²	91	32.9 Å²	32.9	64%	0.636	20%	0.2	S	C	*	.	H	α-helix	trans	-61.3	-39.5	180	51.9	0	0	0	0	112.7	P116 A122	P116-S118 VanDerWaalsContact C-N 3.26Å; P116-S118 PolarHBondContact O-N 2.82Å; S118-A122 WeakPolarHBondContact O-CB 3.42Å; S118-A122 PolarHBondContact O-N 3.27Å; S118-A122 VanDerWaalsContact O-N 3.15Å
119	Q	98.7	Very high	98.4	Very high	28 Å²	28	31.8 Å²	31.8	13%	0.131	20%	0.199	C	C	.	.	H	α-helix	trans	-63.4	-48.2	175.1	174.3	175.7	-64	0	0	110.3	Q38 R94 E95 P116 D117 L121 A122 D123	Q38-Q119 PolarHBondContact NE2-O 2.86Å; R94-Q119 VanDerWaalsContact NH1-CG 3.34Å; E95-Q119 PolarHBondContact OE1-NE2 2.76Å; E95-Q119 PolarHBondContact OE1-OE1 3.34Å; E95-Q119 PolarHBondContact OE2-NE2 3.39Å; P116-Q119 HydrophobicContact CB-CB 4.29Å; P116-Q119 HydrophobicContact CG-CB 4.44Å; P116-Q119 WeakPolarHBondContact O-CB 3.17Å; P116-Q119 PolarHBondContact O-N 2.77Å; D117-Q119 VanDerWaalsContact C-N 3.31Å; D117-Q119 PolarHBondContact O-N 3.47Å; Q119-L121 PolarHBondContact O-N 3.12Å; Q119-A122 PolarHBondContact O-N 3.47Å; Q119-D123 PolarHBondContact O-N 3.09Å
120	V	98.9	Very high	98.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-60.6	-46.5	-179.4	171.5	0	0	0	0	111.3	L91 V115 P116 D117 A122 D123 L124 W148 I152	L91-V120 HydrophobicContact CB-CG2 4.49Å; L91-V120 HydrophobicContact CD1-CG1 3.92Å; L91-V120 HydrophobicContact CD2-CG1 4.16Å; V115-V120 HydrophobicContact CG1-CG2 3.54Å; P116-V120 WeakPolarHBondContact O-CG2 3.31Å; P116-V120 PolarHBondContact O-N 3.33Å; P116-V120 VanDerWaalsContact O-N 3.16Å; D117-V120 PolarHBondContact O-N 3.13Å; V120-A122 VanDerWaalsContact C-N 3.33Å; V120-A122 PolarHBondContact O-N 3.36Å; V120-D123 PolarHBondContact O-N 3.21Å; V120-L124 HydrophobicContact CG1-CD1 4.07Å; V120-L124 HydrophobicContact CG1-CG 4.49Å; V120-L124 VanDerWaalsContact O-CG 3.26Å; V120-L124 WeakPolarHBondContact O-CG 3.5Å; V120-L124 PolarHBondContact O-N 3.17Å; V120-W148 HydrophobicContact CB-CH2 4.47Å; V120-W148 HydrophobicContact CG1-CH2 3.98Å; V120-W148 HydrophobicContact CG2-CH2 3.68Å; V120-W148 HydrophobicContact CG2-CZ2 3.97Å; V120-I152 HydrophobicContact CG1-CD1 3.96Å; V120-I152 HydrophobicContact CG1-CG1 4.19Å; V120-I152 HydrophobicContact CG1-CG2 3.62Å
121	L	98.9	Very high	98.5	Very high	22 Å²	22	27.8 Å²	27.8	12%	0.115	17%	0.165	C	C	.	.	H	α-helix	trans	-63.1	-40	-179.7	-66.3	173.1	0	0	0	111.9	D117 Q119 L124 D125 L155 Y156 H159	D117-L121 WeakPolarHBondContact O-CB 3.39Å; D117-L121 WeakPolarHBondContact O-CG 3.36Å; D117-L121 PolarHBondContact O-N 3.36Å; Q119-L121 PolarHBondContact O-N 3.12Å; L121-L124 PolarHBondContact O-N 3.31Å; L121-D125 PolarHBondContact O-N 3.41Å; L121-L155 HydrophobicContact CD2-CB 4.15Å; L121-Y156 HydrophobicContact CD2-CD2 3.88Å; L121-Y156 HydrophobicContact CD2-CG 4.4Å; L121-H159 HydrophobicContact CD1-CB 4.14Å; L121-H159 HydrophobicContact CD2-CB 3.98Å; L121-H159 HydrophobicContact CG-CB 4.45Å
122	A	98.7	Very high	98.4	Very high	26 Å²	26	30.7 Å²	30.7	22%	0.215	19%	0.185	C	C	.	.	H	α-helix	trans	-66.8	-39.3	173.8	0	0	0	0	0	112.6	Q38 S118 Q119 V120 L124 D125 H126	Q38-A122 HydrophobicContact CG-CB 4.37Å; S118-A122 WeakPolarHBondContact O-CB 3.42Å; S118-A122 PolarHBondContact O-N 3.27Å; S118-A122 VanDerWaalsContact O-N 3.15Å; Q119-A122 PolarHBondContact O-N 3.47Å; V120-A122 VanDerWaalsContact C-N 3.33Å; V120-A122 PolarHBondContact O-N 3.36Å; A122-L124 VanDerWaalsContact C-N 3.3Å; A122-L124 PolarHBondContact O-N 2.88Å; A122-D125 PolarHBondContact O-N 3.31Å; A122-H126 PolarHBondContact O-CD2 2.88Å; A122-H126 PolarHBondContact O-N 3.28Å; A122-H126 VanDerWaalsContact O-N 3.09Å
123	D	98.9	Very high	98.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.7	-40.1	174.3	-73.9	-30.2	0	0	0	111.8	S37 Q38 M42 L91 R94 Q119 V120 D125 H126 V127	S37-D123 WeakPolarHBondContact CB-OD1 3.5Å; S37-D123 PolarHBondContact OG-OD1 3.39Å; Q38-D123 VanDerWaalsContact NE2-CG 3.33Å; Q38-D123 PolarHBondContact NE2-OD1 2.74Å; M42-D123 HydrophobicContact CE-CB 4Å; M42-D123 HydrophobicContact SD-CB 3.8Å; L91-D123 HydrophobicContact CD2-CB 3.75Å; R94-D123 IonicContact CZ-OD1 3.86Å; R94-D123 IonicContact CZ-OD2 3.63Å; R94-D123 IonicContact NH1-OD1 2.82Å; R94-D123 PolarHBondContact NH1-OD1 3.24Å; R94-D123 IonicContact NH1-OD2 3.81Å; R94-D123 PolarHBondContact NH1-OD2 3.23Å; R94-D123 IonicContact NH2-OD1 3.48Å; R94-D123 PolarHBondContact NH2-OD1 3.26Å; R94-D123 IonicContact NH2-OD2 3.73Å; Q119-D123 PolarHBondContact O-N 3.09Å; V120-D123 PolarHBondContact O-N 3.21Å; D123-D125 PolarHBondContact O-N 2.99Å; D123-H126 CarbonylContact O-C 3.54Å; D123-H126 WeakPolarHBondContact O-CB 3.29Å; D123-H126 PolarHBondContact O-N 2.84Å; D123-H126 VanDerWaalsContact O-N 3.15Å; D123-V127 WeakPolarHBondContact O-CG2 3.21Å; D123-V127 PolarHBondContact O-N 2.69Å
124	L	98.9	Very high	98.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65.5	-36.4	177	-64.9	168.2	0	0	0	112.3	I60 V62 P89 L91 V120 L121 A122 H126 V127 A128 I143 I152 Y156	I60-L124 HydrophobicContact CG2-CD2 3.54Å; V62-L124 HydrophobicContact CG2-CD2 4.15Å; P89-L124 HydrophobicContact CG-CD2 4.11Å; L91-L124 HydrophobicContact CD1-CD2 4.44Å; V120-L124 HydrophobicContact CG1-CD1 4.07Å; V120-L124 HydrophobicContact CG1-CG 4.49Å; V120-L124 VanDerWaalsContact O-CG 3.26Å; V120-L124 WeakPolarHBondContact O-CG 3.5Å; V120-L124 PolarHBondContact O-N 3.17Å; L121-L124 PolarHBondContact O-N 3.31Å; A122-L124 VanDerWaalsContact C-N 3.3Å; A122-L124 PolarHBondContact O-N 2.88Å; L124-H126 VanDerWaalsContact C-N 3.3Å; L124-H126 PolarHBondContact O-N 3.45Å; L124-V127 WeakPolarHBondContact O-CB 3.35Å; L124-V127 PolarHBondContact O-N 3.38Å; L124-A128 PolarHBondContact O-N 3.47Å; L124-I143 HydrophobicContact CD1-CD1 4.2Å; L124-I143 HydrophobicContact CD2-CD1 4.43Å; L124-I152 HydrophobicContact CD1-CG2 3.64Å; L124-Y156 HydrophobicContact CB-CD2 3.68Å; L124-Y156 HydrophobicContact CB-CE1 4.45Å; L124-Y156 HydrophobicContact CB-CE2 3.32Å; L124-Y156 HydrophobicContact CB-CG 4.39Å; L124-Y156 HydrophobicContact CD1-CD2 3.66Å; L124-Y156 HydrophobicContact CD1-CE2 4.22Å; L124-Y156 HydrophobicContact CD1-CG 3.86Å; L124-Y156 HydrophobicContact CG-CD2 4.33Å; L124-Y156 HydrophobicContact CG-CE2 4.41Å; L124-Y156 PolarHBondContact O-OH 3.29Å
125	D	98.7	Very high	98.3	Very high	49 Å²	49	34.6 Å²	34.6	26%	0.262	20%	0.2	S	C	.	.	H	α-helix	trans	-63.6	-37.3	171.4	-71.7	-24.5	0	0	0	111.9	L121 A122 D123 A128 S129 Y156 H159 N160	L121-D125 PolarHBondContact O-N 3.41Å; A122-D125 PolarHBondContact O-N 3.31Å; D123-D125 PolarHBondContact O-N 2.99Å; D125-A128 PolarHBondContact O-N 3.39Å; D125-S129 WeakPolarHBondContact O-CB 3.11Å; D125-S129 PolarHBondContact O-N 2.64Å; D125-S129 PolarHBondContact O-OG 3.47Å; D125-Y156 WeakPolarHBondContact OD1-CE2 3.34Å; D125-Y156 PolarHBondContact OD1-OH 2.77Å; D125-H159 IonicContact OD1-CD2 3.39Å; D125-H159 IonicContact OD1-NE2 3.94Å; D125-H159 IonicContact OD2-CD2 3.91Å; D125-H159 IonicContact OD2-CE1 3.52Å; D125-H159 IonicContact OD2-NE2 3.29Å; D125-H159 PolarHBondContact OD2-NE2 3.41Å; D125-N160 PolarHBondContact OD1-ND2 3.04Å
126	H	98.8	Very high	98.3	Very high	68 Å²	68	34.9 Å²	34.9	32%	0.315	20%	0.202	S	C	.	.	H	α-helix	trans	-68.5	-33.3	174.3	-75.8	-62	0	0	0	112.5	S37 A122 D123 L124 S129 W130	S37-H126 WeakPolarHBondContact OG-CB 3.31Å; S37-H126 PolarHBondContact OG-CD2 3.22Å; A122-H126 PolarHBondContact O-CD2 2.88Å; A122-H126 PolarHBondContact O-N 3.28Å; A122-H126 VanDerWaalsContact O-N 3.09Å; D123-H126 CarbonylContact O-C 3.54Å; D123-H126 WeakPolarHBondContact O-CB 3.29Å; D123-H126 PolarHBondContact O-N 2.84Å; D123-H126 VanDerWaalsContact O-N 3.15Å; L124-H126 VanDerWaalsContact C-N 3.3Å; L124-H126 PolarHBondContact O-N 3.45Å; H126-S129 PolarHBondContact O-N 3.04Å; H126-W130 WeakPolarHBondContact O-CB 3.41Å; H126-W130 PolarHBondContact O-N 2.86Å
127	V	98.9	Very high	98.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.3	-46.6	170.7	175.4	0	0	0	0	111	I35 M42 I60 I87 P89 D123 L124 S129 W130 A131	I35-V127 HydrophobicContact CD1-CB 4.45Å; I35-V127 HydrophobicContact CD1-CG1 4.38Å; I35-V127 HydrophobicContact CD1-CG2 3.89Å; M42-V127 HydrophobicContact CE-CG2 3.67Å; I60-V127 HydrophobicContact CD1-CB 4.09Å; I60-V127 HydrophobicContact CD1-CG1 3.87Å; I60-V127 HydrophobicContact CG1-CG1 3.8Å; I60-V127 HydrophobicContact CG2-CG1 4.23Å; I87-V127 HydrophobicContact CB-CG1 3.93Å; I87-V127 HydrophobicContact CD1-CG1 4.01Å; I87-V127 HydrophobicContact CG2-CG1 3.65Å; P89-V127 HydrophobicContact CB-CG2 3.72Å; P89-V127 HydrophobicContact CG-CG2 3.85Å; D123-V127 WeakPolarHBondContact O-CG2 3.21Å; D123-V127 PolarHBondContact O-N 2.69Å; L124-V127 WeakPolarHBondContact O-CB 3.35Å; L124-V127 PolarHBondContact O-N 3.38Å; V127-S129 VanDerWaalsContact C-N 3.3Å; V127-S129 PolarHBondContact O-N 3.32Å; V127-W130 PolarHBondContact O-N 2.7Å; V127-W130 VanDerWaalsContact O-N 3.16Å; V127-A131 PolarHBondContact O-N 3.06Å
128	A	98.6	Very high	98	Very high	6 Å²	6	36 Å²	36	5%	0.05	21%	0.209	C	C	.	.	H	α-helix	trans	-59.1	-43.7	175.5	0	0	0	0	0	111.3	I60 L124 D125 W130 A131 S132 V138 L141	I60-A128 HydrophobicContact CD1-CB 4.44Å; L124-A128 PolarHBondContact O-N 3.47Å; D125-A128 PolarHBondContact O-N 3.39Å; A128-W130 VanDerWaalsContact C-N 3.33Å; A128-W130 PolarHBondContact O-N 3.2Å; A128-A131 WeakPolarHBondContact O-CB 3.36Å; A128-A131 PolarHBondContact O-N 2.85Å; A128-S132 PolarHBondContact O-N 3.34Å; A128-V138 WeakPolarHBondContact O-CG1 3.18Å; A128-L141 HydrophobicContact CB-CD1 4.16Å; A128-L141 HydrophobicContact CB-CD2 3.69Å
129	S	98.3	Very high	97.9	Very high	51 Å²	51	38.3 Å²	38.3	36%	0.357	21%	0.209	S	C	.	.	H	α-helix	trans	-63.7	-36.2	175.8	-61.3	0	0	0	0	113	D125 H126 V127 S132 R133	D125-S129 WeakPolarHBondContact O-CB 3.11Å; D125-S129 PolarHBondContact O-N 2.64Å; D125-S129 PolarHBondContact O-OG 3.47Å; H126-S129 PolarHBondContact O-N 3.04Å; V127-S129 VanDerWaalsContact C-N 3.3Å; V127-S129 PolarHBondContact O-N 3.32Å; S129-S132 PolarHBondContact O-OG 3.03Å; S129-R133 VanDerWaalsContact O-CZ 3.28Å; S129-R133 PolarHBondContact O-NH1 3.34Å
130	W	98.6	Very high	97.9	Very high	18 Å²	18	39.4 Å²	39.4	7%	0.068	21%	0.212	C	C	.	.	H	α-helix	trans	-69	-41.2	174.5	178.9	98.4	0	0	0	111.1	T33 I35 H46 I87 H126 V127 A128 S132 R133 N134	T33-W130 HydrophobicContact CG2-CH2 4.15Å; T33-W130 HydrophobicContact CG2-CZ2 3.82Å; I35-W130 HydrophobicContact CB-CG 4.46Å; I35-W130 HydrophobicContact CD1-CB 4.39Å; I35-W130 HydrophobicContact CD1-CD2 4.14Å; I35-W130 HydrophobicContact CD1-CE3 4.35Å; I35-W130 HydrophobicContact CD1-CG 4.16Å; I35-W130 HydrophobicContact CG1-CB 4.33Å; I35-W130 HydrophobicContact CG1-CD2 4.04Å; I35-W130 HydrophobicContact CG1-CG 3.83Å; I35-W130 HydrophobicContact CG2-CB 3.86Å; I35-W130 HydrophobicContact CG2-CG 4.16Å; H46-W130 HydrophobicContact CB-CH2 4.47Å; I87-W130 HydrophobicContact CD1-CE3 3.71Å; I87-W130 HydrophobicContact CD1-CZ3 3.63Å; I87-W130 HydrophobicContact CG1-CE3 4.45Å; I87-W130 HydrophobicContact CG1-CZ3 3.99Å; H126-W130 WeakPolarHBondContact O-CB 3.41Å; H126-W130 PolarHBondContact O-N 2.86Å; V127-W130 PolarHBondContact O-N 2.7Å; V127-W130 VanDerWaalsContact O-N 3.16Å; A128-W130 VanDerWaalsContact C-N 3.33Å; A128-W130 PolarHBondContact O-N 3.2Å; W130-S132 VanDerWaalsContact C-N 3.32Å; W130-S132 PolarHBondContact O-N 3.21Å; W130-R133 PolarHBondContact O-N 3.01Å; W130-R133 VanDerWaalsContact O-N 3.08Å; W130-N134 HydrophobicContact CD2-CB 4.14Å; W130-N134 VanDerWaalsContact CE2-CG 3.5Å; W130-N134 VanDerWaalsContact CE2-ND2 3.26Å; W130-N134 HydrophobicContact CE3-CB 4.03Å; W130-N134 HydrophobicContact CH2-CB 3.69Å; W130-N134 HydrophobicContact CZ2-CB 3.8Å; W130-N134 HydrophobicContact CZ3-CB 3.81Å; W130-N134 PolarHBondContact NE1-ND2 2.82Å; W130-N134 PolarHBondContact O-N 3.23Å; W130-N134 PolarHBondContact O-ND2 3Å
131	A	98.5	Very high	97.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58.6	-42.9	179.5	0	0	0	0	0	111.7	V58 L85 I87 V127 A128 R133 N134 G135 G136	V58-A131 HydrophobicContact CB-CB 4.42Å; V58-A131 HydrophobicContact CG1-CB 3.73Å; V58-A131 HydrophobicContact CG2-CB 3.79Å; L85-A131 HydrophobicContact CD2-CB 4.22Å; I87-A131 HydrophobicContact CD1-CB 3.66Å; V127-A131 PolarHBondContact O-N 3.06Å; A128-A131 WeakPolarHBondContact O-CB 3.36Å; A128-A131 PolarHBondContact O-N 2.85Å; A131-R133 PolarHBondContact O-N 3.45Å; A131-R133 VanDerWaalsContact O-N 3.14Å; A131-N134 CarbonylContact O-C 3.57Å; A131-N134 PolarHBondContact O-N 3.2Å; A131-G135 PolarHBondContact O-N 3.37Å; A131-G136 VanDerWaalsContact O-CA 3.3Å; A131-G136 WeakPolarHBondContact O-CA 3.42Å; A131-G136 PolarHBondContact O-N 3.15Å
132	S	97	Very high	97.9	Very high	61 Å²	61	38.4 Å²	38.4	43%	0.427	21%	0.206	S	C	.	.	H	α-helix	trans	-58.6	-28.7	178	70.4	0	0	0	0	113.8	A128 S129 W130 G136	A128-S132 PolarHBondContact O-N 3.34Å; S129-S132 PolarHBondContact O-OG 3.03Å; W130-S132 VanDerWaalsContact C-N 3.32Å; W130-S132 PolarHBondContact O-N 3.21Å; S132-G136 WeakPolarHBondContact CA-O 3.42Å
133	R	97.1	Very high	97.9	Very high	162 Å²	162	37.1 Å²	37.1	61%	0.611	20%	0.196	S	C	*	.	H	α-helix	trans	-91.6	-8.6	177.9	-62	-171.2	-64.3	-86.9	1.6	113.7	S129 W130 A131	S129-R133 VanDerWaalsContact O-CZ 3.28Å; S129-R133 PolarHBondContact O-NH1 3.34Å; W130-R133 PolarHBondContact O-N 3.01Å; W130-R133 VanDerWaalsContact O-N 3.08Å; A131-R133 PolarHBondContact O-N 3.45Å; A131-R133 VanDerWaalsContact O-N 3.14Å
134	N	97.5	Very high	97.9	Very high	70 Å²	70	37.1 Å²	37.1	37%	0.374	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.2	36	-172.5	-69.4	-85.7	0	0	0	112.3	W130 A131	W130-N134 HydrophobicContact CD2-CB 4.14Å; W130-N134 VanDerWaalsContact CE2-CG 3.5Å; W130-N134 VanDerWaalsContact CE2-ND2 3.26Å; W130-N134 HydrophobicContact CE3-CB 4.03Å; W130-N134 HydrophobicContact CH2-CB 3.69Å; W130-N134 HydrophobicContact CZ2-CB 3.8Å; W130-N134 HydrophobicContact CZ3-CB 3.81Å; W130-N134 PolarHBondContact NE1-ND2 2.82Å; W130-N134 PolarHBondContact O-N 3.23Å; W130-N134 PolarHBondContact O-ND2 3Å; A131-N134 CarbonylContact O-C 3.57Å; A131-N134 PolarHBondContact O-N 3.2Å
135	G	96.5	Very high	97.9	Very high	40 Å²	40	37.1 Å²	37.1	41%	0.412	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	87	12.9	172.8	0	0	0	0	0	115.1	P55 L56 A131	P55-G135 CarbonylContact C-O 3.58Å; P55-G135 VanDerWaalsContact CA-O 3.31Å; P55-G135 WeakPolarHBondContact CA-O 3.45Å; L56-G135 PolarHBondContact N-O 3.11Å; A131-G135 PolarHBondContact O-N 3.37Å
136	G	98.1	Very high	97.9	Very high	7 Å²	7	34.8 Å²	34.8	7%	0.072	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	143.6	174.2	0	0	0	0	0	113.5	L56 V58 A131 S132	L56-G136 CarbonylContact O-C 3.54Å; L56-G136 WeakPolarHBondContact O-CA 3.47Å; V58-G136 VanDerWaalsContact CG2-CA 3.49Å; A131-G136 VanDerWaalsContact O-CA 3.3Å; A131-G136 WeakPolarHBondContact O-CA 3.42Å; A131-G136 PolarHBondContact O-N 3.15Å; S132-G136 WeakPolarHBondContact CA-O 3.42Å
137	D	97.6	Very high	97.9	Very high	24 Å²	24	32.8 Å²	32.8	13%	0.128	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	102.6	168.1	-177.2	-2.3	0	0	0	109.7	P55 L56 H139 R140	P55-D137 HydrophobicContact CB-CB 3.98Å; L56-D137 PolarHBondContact O-N 3Å; D137-H139 PolarHBondContact O-N 2.91Å; D137-H139 WeakPolarHBondContact OD1-CB 3.28Å; D137-H139 IonicContact OD1-CD2 3.91Å; D137-H139 IonicContact OD1-CG 2.93Å; D137-H139 PolarHBondContact OD1-N 3.38Å; D137-R140 HydrophobicContact CB-CB 4.34Å; D137-R140 CarbonylContact O-C 3.49Å; D137-R140 VanDerWaalsContact O-C 3.28Å; D137-R140 WeakPolarHBondContact O-CA 3.31Å; D137-R140 PolarHBondContact O-N 2.89Å; D137-R140 WeakPolarHBondContact OD2-CD 3.26Å; D137-R140 WeakPolarHBondContact OD2-CG 3.44Å
138	V	93.4	Very high	97.9	Very high	34 Å²	34	34.1 Å²	34.1	21%	0.206	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	-11.7	-179.9	-67.7	0	0	0	0	113.8	A128 R140 L141	A128-V138 WeakPolarHBondContact O-CG1 3.18Å; V138-R140 PolarHBondContact O-N 3.45Å; V138-L141 WeakPolarHBondContact O-CB 3.35Å
139	H	96.6	Very high	97.9	Very high	139 Å²	139	33.9 Å²	33.9	64%	0.644	18%	0.18	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	-9.2	166.7	-61.2	-70.4	0	0	0	112.2	D137 K164	D137-H139 PolarHBondContact O-N 2.91Å; D137-H139 WeakPolarHBondContact OD1-CB 3.28Å; D137-H139 IonicContact OD1-CD2 3.91Å; D137-H139 IonicContact OD1-CG 2.93Å; D137-H139 PolarHBondContact OD1-N 3.38Å; H139-K164 WeakPolarHBondContact O-CE 3.48Å; H139-K164 VanDerWaalsContact O-CG 3.3Å; H139-K164 WeakPolarHBondContact O-CG 3.33Å
140	R	98.2	Very high	97.9	Very high	50 Å²	50	31.4 Å²	31.4	19%	0.189	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	50.6	176	-59.7	176.2	69.3	-153.9	-4.4	109.8	P57 V58 D137 V138 M142 G266 G267	P57-R140 HydrophobicContact CB-CB 4Å; V58-R140 PolarHBondContact N-O 3.17Å; D137-R140 HydrophobicContact CB-CB 4.34Å; D137-R140 CarbonylContact O-C 3.49Å; D137-R140 VanDerWaalsContact O-C 3.28Å; D137-R140 WeakPolarHBondContact O-CA 3.31Å; D137-R140 PolarHBondContact O-N 2.89Å; D137-R140 WeakPolarHBondContact OD2-CD 3.26Å; D137-R140 WeakPolarHBondContact OD2-CG 3.44Å; V138-R140 PolarHBondContact O-N 3.45Å; R140-M142 WeakPolarHBondContact O-CE 3.2Å; R140-G266 WeakPolarHBondContact CA-O 3.43Å; R140-G266 WeakPolarHBondContact CB-O 3.37Å; R140-G266 WeakPolarHBondContact CG-O 3.43Å; R140-G267 PolarHBondContact NE-O 3.09Å; R140-G267 VanDerWaalsContact NE-O 3.14Å
141	L	98.7	Very high	98	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	123.3	179	-179.5	65.1	0	0	0	111	V58 I60 A128 V138 L163 K164	V58-L141 HydrophobicContact CB-CD1 3.95Å; V58-L141 HydrophobicContact CG1-CD1 3.76Å; I60-L141 HydrophobicContact CD1-CD1 3.96Å; I60-L141 HydrophobicContact CG1-CD1 4.08Å; A128-L141 HydrophobicContact CB-CD1 4.16Å; A128-L141 HydrophobicContact CB-CD2 3.69Å; V138-L141 WeakPolarHBondContact O-CB 3.35Å; L141-L163 HydrophobicContact CD2-CD1 4.47Å; L141-L163 HydrophobicContact CG-CD1 4.08Å; L141-K164 VanDerWaalsContact O-CB 3.31Å; L141-K164 WeakPolarHBondContact O-CB 3.19Å; L141-K164 PolarHBondContact O-N 3.33Å
142	M	98.9	Very high	98	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	165.5	175.6	-67	144.2	-68	0	0	110.2	P57 V58 V59 I60 Y84 R140 A165 F262 G266	P57-M142 HydrophobicContact CB-CE 3.72Å; V58-M142 VanDerWaalsContact O-CE 3.23Å; V58-M142 WeakPolarHBondContact O-CE 3.46Å; V58-M142 PolarHBondContact O-N 2.51Å; V59-M142 WeakPolarHBondContact CA-O 3.47Å; V59-M142 HydrophobicContact CG2-CB 4.2Å; V59-M142 HydrophobicContact CG2-CE 4.13Å; I60-M142 PolarHBondContact N-O 3.36Å; Y84-M142 HydrophobicContact CD1-CE 3.99Å; Y84-M142 HydrophobicContact CE1-CE 3.81Å; Y84-M142 HydrophobicContact CE1-SD 4.01Å; R140-M142 WeakPolarHBondContact O-CE 3.2Å; M142-A165 VanDerWaalsContact CA-O 3.27Å; M142-A165 WeakPolarHBondContact CA-O 3.33Å; M142-A165 HydrophobicContact CG-CB 3.99Å; M142-F262 HydrophobicContact CB-CD1 3.94Å; M142-F262 HydrophobicContact CB-CE1 3.74Å; M142-F262 HydrophobicContact CB-CE2 4.47Å; M142-F262 HydrophobicContact CB-CG 4.36Å; M142-F262 HydrophobicContact CB-CZ 4.02Å; M142-F262 HydrophobicContact CG-CD1 3.82Å; M142-F262 HydrophobicContact CG-CE1 4.13Å; M142-F262 HydrophobicContact CG-CG 4.17Å; M142-F262 HydrophobicContact SD-CB 3.58Å; M142-F262 VanDerWaalsContact SD-CB 3.58Å; M142-F262 HydrophobicContact SD-CD1 3.95Å; M142-F262 HydrophobicContact SD-CD2 4.22Å; M142-F262 HydrophobicContact SD-CG 3.67Å; M142-G266 VanDerWaalsContact SD-CA 3.55Å
143	I	98.9	Very high	98.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	144.1	176.1	-172	165.2	0	0	0	110.5	I60 V62 L124 T153 Y156 L163 A165 A166 V167	I60-I143 HydrophobicContact CB-CB 4.46Å; I60-I143 HydrophobicContact CB-CD1 4.41Å; I60-I143 HydrophobicContact CB-CG1 4.12Å; I60-I143 HydrophobicContact CG2-CD1 4.48Å; I60-I143 CarbonylContact O-C 3.48Å; I60-I143 WeakPolarHBondContact O-CA 3.27Å; V62-I143 HydrophobicContact CG2-CD1 3.65Å; V62-I143 HydrophobicContact CG2-CG1 3.87Å; L124-I143 HydrophobicContact CD1-CD1 4.2Å; L124-I143 HydrophobicContact CD2-CD1 4.43Å; I143-T153 HydrophobicContact CG2-CG2 4.03Å; I143-Y156 HydrophobicContact CB-CD1 4.36Å; I143-Y156 HydrophobicContact CD1-CD1 3.37Å; I143-Y156 HydrophobicContact CD1-CE1 4.07Å; I143-Y156 HydrophobicContact CD1-CG 3.83Å; I143-Y156 HydrophobicContact CG1-CD1 4.46Å; I143-Y156 HydrophobicContact CG2-CD1 4.22Å; I143-L163 HydrophobicContact CB-CD1 4.14Å; I143-L163 HydrophobicContact CG2-CD1 3.81Å; I143-L163 HydrophobicContact CG2-CD2 3.72Å; I143-L163 HydrophobicContact CG2-CG 4.36Å; I143-A165 PolarHBondContact N-O 2.84Å; I143-A165 VanDerWaalsContact N-O 3.1Å; I143-A166 HydrophobicContact CG2-CB 3.62Å; I143-A166 CarbonylContact O-C 3.1Å; I143-A166 WeakPolarHBondContact O-CA 3.26Å; I143-V167 PolarHBondContact O-N 2.9Å
144	T	99	Very high	98.2	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	152.5	164.6	-169.3	0	0	0	0	110	V59 I60 V61 V62 L79 F146 V167 W169 M258	V59-T144 HydrophobicContact CG1-CG2 3.99Å; I60-T144 PolarHBondContact O-N 2.82Å; V61-T144 CarbonylContact C-O 3.6Å; V61-T144 WeakPolarHBondContact CA-O 3.45Å; V61-T144 HydrophobicContact CG1-CG2 4.46Å; V61-T144 HydrophobicContact CG2-CG2 4.29Å; V62-T144 PolarHBondContact N-O 2.91Å; L79-T144 HydrophobicContact CD1-CG2 4.38Å; T144-F146 HydrophobicContact CG2-CE2 4.32Å; T144-V167 WeakPolarHBondContact CA-O 3.5Å; T144-V167 WeakPolarHBondContact CB-O 3.26Å; T144-V167 PolarHBondContact OG1-O 3.39Å; T144-W169 PolarHBondContact OG1-NE1 3.36Å; T144-W169 VanDerWaalsContact OG1-NE1 3.08Å; T144-M258 HydrophobicContact CG2-SD 4.06Å
145	G	98.9	Very high	98.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	157.3	179	0	0	0	0	0	112.5	V62 G149 G150 T153 V167 W169	V62-G145 WeakPolarHBondContact O-CA 3.42Å; G145-G149 VanDerWaalsContact C-C 3.45Å; G145-G149 WeakPolarHBondContact CA-O 3.34Å; G145-G150 VanDerWaalsContact C-N 3.26Å; G145-G150 VanDerWaalsContact O-CA 3.28Å; G145-G150 WeakPolarHBondContact O-CA 3.44Å; G145-G150 PolarHBondContact O-N 3.35Å; G145-T153 WeakPolarHBondContact CA-OG1 3.37Å; G145-T153 PolarHBondContact N-OG1 2.85Å; G145-T153 VanDerWaalsContact N-OG1 3.11Å; G145-V167 PolarHBondContact N-O 3.37Å; G145-W169 WeakPolarHBondContact O-CB 3.44Å; G145-W169 PolarHBondContact O-N 3.12Å
146	F	98.9	Very high	98.3	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	133.8	-167.9	-55.4	-91.5	0	0	0	111.3	V61 V62 E64 I72 I75 T144 W148 G149 W169 Y170 N239	V61-F146 HydrophobicContact CG1-CE2 4.03Å; V62-F146 PolarHBondContact O-N 3.15Å; E64-F146 WeakPolarHBondContact CA-O 3.09Å; E64-F146 HydrophobicContact CG-CB 3.66Å; I72-F146 HydrophobicContact CD1-CD2 4.01Å; I75-F146 HydrophobicContact CD1-CZ 4.05Å; I75-F146 HydrophobicContact CG1-CE2 4.29Å; I75-F146 HydrophobicContact CG1-CZ 4.13Å; I75-F146 HydrophobicContact CG2-CE2 3.91Å; I75-F146 HydrophobicContact CG2-CZ 3.93Å; T144-F146 HydrophobicContact CG2-CE2 4.32Å; F146-W148 PolarHBondContact O-N 3.08Å; F146-G149 WeakPolarHBondContact O-CA 3.34Å; F146-G149 PolarHBondContact O-N 2.94Å; F146-W169 HydrophobicContact CD1-CB 3.55Å; F146-W169 AromaticContact CD1-CD1 3.75Å; F146-W169 HydrophobicContact CD1-CD2 4.12Å; F146-W169 AromaticContact CD1-CG 3.55Å; F146-W169 HydrophobicContact CD1-CG 3.55Å; F146-W169 HydrophobicContact CE1-CB 4.04Å; F146-W169 AromaticContact CE1-CD1 3.4Å; F146-W169 VanDerWaalsContact CE1-CD1 3.4Å; F146-W169 AromaticContact CE1-CD2 3.72Å; F146-W169 HydrophobicContact CE1-CD2 3.72Å; F146-W169 AromaticContact CE1-CE2 3.76Å; F146-W169 HydrophobicContact CE1-CE3 4.48Å; F146-W169 AromaticContact CE1-CG 3.49Å; F146-W169 HydrophobicContact CE1-CG 3.49Å; F146-W169 VanDerWaalsContact CE1-CG 3.49Å; F146-W169 AromaticContact CE1-NE1 3.59Å; F146-W169 HydrophobicContact CG-CB 4.27Å; F146-W169 HydrophobicContact CG-CG 4.49Å; F146-W169 AromaticContact CZ-CD1 3.86Å; F146-W169 HydrophobicContact CZ-CG 4.38Å; F146-W169 AromaticContact CZ-NE1 3.86Å; F146-Y170 HydrophobicContact CB-CE2 4.08Å; F146-Y170 WeakPolarHBondContact CD1-OH 3.37Å; F146-N239 HydrophobicContact CE1-CB 4.48Å; F146-N239 WeakPolarHBondContact CE1-ND2 3.43Å
147	C	98.4	Very high	98.4	Very high	26 Å²	26	15.6 Å²	15.6	18%	0.176	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	-111.6	-179.7	-177.8	0	0	0	0	111.2	E64 G149 G150 R151 W169 Y170 G171 H236	E64-C147 HydrophobicContact CB-CB 4.47Å; E64-C147 HydrophobicContact CG-CB 4.23Å; C147-G149 VanDerWaalsContact C-N 3.27Å; C147-G149 PolarHBondContact O-N 3.47Å; C147-G150 WeakPolarHBondContact O-CA 3.36Å; C147-G150 PolarHBondContact O-N 2.83Å; C147-R151 PolarHBondContact O-N 2.95Å; C147-W169 PolarHBondContact N-O 3.09Å; C147-Y170 WeakPolarHBondContact CA-O 3.01Å; C147-Y170 HydrophobicContact CB-CD2 4.02Å; C147-Y170 HydrophobicContact CB-CE2 3.95Å; C147-Y170 VanDerWaalsContact N-CE2 3.34Å; C147-G171 WeakPolarHBondContact O-CA 3.37Å; C147-H236 PolarHBondContact SG-NE2 3.32Å
148	W	98.5	Very high	98.4	Very high	28 Å²	28	15.4 Å²	15.4	11%	0.106	8%	0.076	C	C	.	.	H	α-helix	trans	-54.5	-44.8	172.3	179.7	89.6	0	0	0	111.3	V62 Q63 I65 L91 Y92 V112 V115 V120 F146 G150 R151 I152	V62-W148 HydrophobicContact CG1-CE3 4.33Å; V62-W148 HydrophobicContact CG1-CZ3 3.96Å; Q63-W148 HydrophobicContact CG-CE3 4.3Å; Q63-W148 HydrophobicContact CG-CZ3 4.12Å; I65-W148 HydrophobicContact CG2-CB 3.92Å; L91-W148 HydrophobicContact CB-CH2 4.13Å; L91-W148 HydrophobicContact CB-CZ3 4.29Å; L91-W148 HydrophobicContact CD1-CH2 4.09Å; L91-W148 HydrophobicContact CD1-CZ3 3.82Å; Y92-W148 HydrophobicContact CD1-CH2 4.45Å; Y92-W148 HydrophobicContact CE1-CD2 4.2Å; Y92-W148 AromaticContact CE1-CE2 3.98Å; Y92-W148 HydrophobicContact CE1-CE3 4.12Å; Y92-W148 AromaticContact CE1-CH2 3.66Å; Y92-W148 HydrophobicContact CE1-CH2 3.66Å; Y92-W148 AromaticContact CE1-CZ2 3.73Å; Y92-W148 HydrophobicContact CE1-CZ2 3.73Å; Y92-W148 AromaticContact CE1-CZ3 3.86Å; Y92-W148 HydrophobicContact CE1-CZ3 3.86Å; V112-W148 HydrophobicContact CG1-CG 4.34Å; V115-W148 HydrophobicContact CG1-CZ2 4.23Å; V120-W148 HydrophobicContact CB-CH2 4.47Å; V120-W148 HydrophobicContact CG1-CH2 3.98Å; V120-W148 HydrophobicContact CG2-CH2 3.68Å; V120-W148 HydrophobicContact CG2-CZ2 3.97Å; F146-W148 PolarHBondContact O-N 3.08Å; W148-G150 PolarHBondContact O-N 3.29Å; W148-R151 WeakPolarHBondContact O-CB 3.24Å; W148-R151 PolarHBondContact O-N 3.31Å; W148-R151 VanDerWaalsContact O-N 3.12Å; W148-I152 HydrophobicContact CD2-CG1 4.02Å; W148-I152 HydrophobicContact CE3-CG1 3.97Å; W148-I152 HydrophobicContact CH2-CD1 4.14Å; W148-I152 HydrophobicContact CH2-CG1 3.75Å; W148-I152 HydrophobicContact CZ2-CD1 3.84Å; W148-I152 HydrophobicContact CZ2-CG1 3.79Å; W148-I152 HydrophobicContact CZ3-CG1 3.84Å; W148-I152 PolarHBondContact O-N 3Å; W148-I152 VanDerWaalsContact O-N 3.08Å
149	G	98.8	Very high	98.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-65.3	-25.6	174.4	0	0	0	0	0	114	Q63 G145 F146 C147 I152 T153	Q63-G149 VanDerWaalsContact O-CA 3.24Å; Q63-G149 WeakPolarHBondContact O-CA 3.31Å; Q63-G149 PolarHBondContact O-N 2.79Å; G145-G149 VanDerWaalsContact C-C 3.45Å; G145-G149 WeakPolarHBondContact CA-O 3.34Å; F146-G149 WeakPolarHBondContact O-CA 3.34Å; F146-G149 PolarHBondContact O-N 2.94Å; C147-G149 VanDerWaalsContact C-N 3.27Å; C147-G149 PolarHBondContact O-N 3.47Å; G149-I152 PolarHBondContact O-N 3.31Å; G149-T153 WeakPolarHBondContact O-CB 3.49Å; G149-T153 PolarHBondContact O-N 2.93Å; G149-T153 PolarHBondContact O-OG1 3.43Å
150	G	98.9	Very high	98.8	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-67.5	-38.5	173.1	0	0	0	0	0	111.4	G145 C147 W148 T153 W154 A168	G145-G150 VanDerWaalsContact C-N 3.26Å; G145-G150 VanDerWaalsContact O-CA 3.28Å; G145-G150 WeakPolarHBondContact O-CA 3.44Å; G145-G150 PolarHBondContact O-N 3.35Å; C147-G150 WeakPolarHBondContact O-CA 3.36Å; C147-G150 PolarHBondContact O-N 2.83Å; W148-G150 PolarHBondContact O-N 3.29Å; G150-T153 WeakPolarHBondContact O-CB 3.38Å; G150-T153 PolarHBondContact O-N 2.75Å; G150-W154 VanDerWaalsContact O-CD1 3.26Å; G150-A168 WeakPolarHBondContact O-CB 3.5Å
151	R	98.8	Very high	98.7	Very high	16 Å²	16	13.2 Å²	13.2	6%	0.06	7%	0.074	C	C	.	.	H	α-helix	trans	-65	-48.7	171.7	175	-174.6	169.4	-84	-5.8	110.7	D117 C147 W148 T153 W154 L155 K183 P185	D117-R151 IonicContact OD1-CZ 3.84Å; D117-R151 IonicContact OD1-NH1 3.67Å; D117-R151 PolarHBondContact OD1-NH1 3.18Å; D117-R151 IonicContact OD1-NH2 3.87Å; D117-R151 IonicContact OD2-CZ 3.43Å; D117-R151 IonicContact OD2-NH1 2.72Å; D117-R151 PolarHBondContact OD2-NH1 2.93Å; D117-R151 IonicContact OD2-NH2 3.65Å; D117-R151 PolarHBondContact OD2-NH2 2.79Å; C147-R151 PolarHBondContact O-N 2.95Å; W148-R151 WeakPolarHBondContact O-CB 3.24Å; W148-R151 PolarHBondContact O-N 3.31Å; W148-R151 VanDerWaalsContact O-N 3.12Å; R151-T153 PolarHBondContact O-N 3.11Å; R151-W154 WeakPolarHBondContact O-CB 3.43Å; R151-W154 PolarHBondContact O-N 3.35Å; R151-L155 PolarHBondContact O-N 2.93Å; R151-K183 PolarHBondContact NH2-O 3.47Å; R151-P185 HydrophobicContact CG-CG 4.11Å
152	I	98.9	Very high	98.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-58.8	-35.9	177.8	-64.8	-58.9	0	0	0	111.6	V62 V120 L124 W148 G149 W154 L155 Y156	V62-I152 HydrophobicContact CG1-CB 4.05Å; V62-I152 HydrophobicContact CG1-CG2 3.96Å; V62-I152 HydrophobicContact CG2-CG2 4.4Å; V120-I152 HydrophobicContact CG1-CD1 3.96Å; V120-I152 HydrophobicContact CG1-CG1 4.19Å; V120-I152 HydrophobicContact CG1-CG2 3.62Å; L124-I152 HydrophobicContact CD1-CG2 3.64Å; W148-I152 HydrophobicContact CD2-CG1 4.02Å; W148-I152 HydrophobicContact CE3-CG1 3.97Å; W148-I152 HydrophobicContact CH2-CD1 4.14Å; W148-I152 HydrophobicContact CH2-CG1 3.75Å; W148-I152 HydrophobicContact CZ2-CD1 3.84Å; W148-I152 HydrophobicContact CZ2-CG1 3.79Å; W148-I152 HydrophobicContact CZ3-CG1 3.84Å; W148-I152 PolarHBondContact O-N 3Å; W148-I152 VanDerWaalsContact O-N 3.08Å; G149-I152 PolarHBondContact O-N 3.31Å; I152-W154 VanDerWaalsContact C-N 3.32Å; I152-W154 PolarHBondContact O-N 2.87Å; I152-L155 HydrophobicContact CD1-CD1 4.39Å; I152-L155 PolarHBondContact O-N 3.37Å; I152-L155 VanDerWaalsContact O-N 3.13Å; I152-Y156 WeakPolarHBondContact O-CB 3.41Å; I152-Y156 PolarHBondContact O-N 3.05Å
153	T	99	Very high	98.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-57.5	-42.4	177.1	-66.9	0	0	0	0	112.5	I143 G145 G149 G150 R151 A157 A166 A168	I143-T153 HydrophobicContact CG2-CG2 4.03Å; G145-T153 WeakPolarHBondContact CA-OG1 3.37Å; G145-T153 PolarHBondContact N-OG1 2.85Å; G145-T153 VanDerWaalsContact N-OG1 3.11Å; G149-T153 WeakPolarHBondContact O-CB 3.49Å; G149-T153 PolarHBondContact O-N 2.93Å; G149-T153 PolarHBondContact O-OG1 3.43Å; G150-T153 WeakPolarHBondContact O-CB 3.38Å; G150-T153 PolarHBondContact O-N 2.75Å; R151-T153 PolarHBondContact O-N 3.11Å; T153-A157 PolarHBondContact O-N 3.15Å; T153-A157 VanDerWaalsContact O-N 3.12Å; T153-A166 HydrophobicContact CG2-CB 3.81Å; T153-A168 HydrophobicContact CG2-CB 3.87Å
154	W	98.9	Very high	98.6	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-64.4	-45.8	173.8	-76	102.8	0	0	0	112.2	G150 R151 I152 Y156 A157 A158 A168 P185 I188 L192 V196 Y200 M215 L219 A226 I228	G150-W154 VanDerWaalsContact O-CD1 3.26Å; R151-W154 WeakPolarHBondContact O-CB 3.43Å; R151-W154 PolarHBondContact O-N 3.35Å; I152-W154 VanDerWaalsContact C-N 3.32Å; I152-W154 PolarHBondContact O-N 2.87Å; W154-Y156 VanDerWaalsContact C-N 3.33Å; W154-Y156 PolarHBondContact O-N 2.89Å; W154-A157 PolarHBondContact O-N 3.46Å; W154-A158 PolarHBondContact O-N 3.44Å; W154-A168 HydrophobicContact CG-CB 4.45Å; W154-A168 VanDerWaalsContact NE1-CB 3.29Å; W154-P185 HydrophobicContact CB-CB 3.68Å; W154-P185 HydrophobicContact CB-CG 3.7Å; W154-P185 HydrophobicContact CD2-CB 4.29Å; W154-P185 HydrophobicContact CG-CB 3.74Å; W154-P185 HydrophobicContact CG-CG 3.95Å; W154-I188 HydrophobicContact CB-CD1 4.46Å; W154-L192 HydrophobicContact CE3-CD1 4.33Å; W154-L192 HydrophobicContact CE3-CD2 4.31Å; W154-L192 HydrophobicContact CZ3-CD1 4Å; W154-V196 HydrophobicContact CD2-CG1 3.83Å; W154-V196 HydrophobicContact CE3-CB 3.98Å; W154-V196 HydrophobicContact CE3-CG1 3.59Å; W154-V196 HydrophobicContact CE3-CG2 4.07Å; W154-V196 HydrophobicContact CH2-CB 3.76Å; W154-V196 HydrophobicContact CH2-CG1 3.48Å; W154-V196 VanDerWaalsContact CH2-CG1 3.48Å; W154-V196 HydrophobicContact CZ2-CB 4.5Å; W154-V196 HydrophobicContact CZ2-CG1 3.74Å; W154-V196 HydrophobicContact CZ3-CB 3.45Å; W154-V196 VanDerWaalsContact CZ3-CB 3.45Å; W154-V196 HydrophobicContact CZ3-CG1 3.4Å; W154-V196 VanDerWaalsContact CZ3-CG1 3.4Å; W154-V196 HydrophobicContact CZ3-CG2 3.88Å; W154-Y200 PolarHBondContact NE1-OH 2.86Å; W154-Y200 VanDerWaalsContact NE1-OH 3.11Å; W154-M215 HydrophobicContact CD2-CE 4.05Å; W154-M215 HydrophobicContact CE3-CE 3.56Å; W154-M215 HydrophobicContact CH2-CE 4.02Å; W154-M215 HydrophobicContact CZ2-CE 4.44Å; W154-M215 HydrophobicContact CZ3-CE 3.55Å; W154-L219 HydrophobicContact CH2-CD1 3.97Å; W154-L219 HydrophobicContact CH2-CD2 4.5Å; W154-L219 HydrophobicContact CZ3-CD1 4.31Å; W154-L219 HydrophobicContact CZ3-CD2 4.01Å; W154-A226 HydrophobicContact CH2-CB 4.15Å; W154-A226 HydrophobicContact CZ3-CB 4.21Å; W154-I228 HydrophobicContact CH2-CG1 4.47Å; W154-I228 HydrophobicContact CZ2-CD1 4.45Å; W154-I228 HydrophobicContact CZ2-CG1 4.34Å
155	L	98.9	Very high	98.6	Very high	9 Å²	9	22 Å²	22	5%	0.047	11%	0.114	C	C	.	.	H	α-helix	trans	-64.7	-39.5	-179.3	-60.5	-179.2	0	0	0	111.4	D117 L121 R151 I152 A157 A158 H159 I188	D117-L155 WeakPolarHBondContact OD2-CD1 3.28Å; L121-L155 HydrophobicContact CD2-CB 4.15Å; R151-L155 PolarHBondContact O-N 2.93Å; I152-L155 HydrophobicContact CD1-CD1 4.39Å; I152-L155 PolarHBondContact O-N 3.37Å; I152-L155 VanDerWaalsContact O-N 3.13Å; L155-A157 VanDerWaalsContact C-N 3.33Å; L155-A157 PolarHBondContact O-N 2.93Å; L155-A158 PolarHBondContact O-N 3.35Å; L155-A158 VanDerWaalsContact O-N 3.17Å; L155-H159 WeakPolarHBondContact O-CB 3.28Å; L155-H159 PolarHBondContact O-N 3.12Å; L155-I188 HydrophobicContact CD2-CG1 4.04Å; L155-I188 HydrophobicContact CD2-CG2 4.26Å
156	Y	98.9	Very high	98.6	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-67.6	-33.5	177.4	-168.5	-111.4	0	0	0	112.6	I60 L121 L124 D125 I143 I152 W154 A158 H159 N160 L163	I60-Y156 HydrophobicContact CD1-CE1 4.41Å; L121-Y156 HydrophobicContact CD2-CD2 3.88Å; L121-Y156 HydrophobicContact CD2-CG 4.4Å; L124-Y156 HydrophobicContact CB-CD2 3.68Å; L124-Y156 HydrophobicContact CB-CE1 4.45Å; L124-Y156 HydrophobicContact CB-CE2 3.32Å; L124-Y156 HydrophobicContact CB-CG 4.39Å; L124-Y156 HydrophobicContact CD1-CD2 3.66Å; L124-Y156 HydrophobicContact CD1-CE2 4.22Å; L124-Y156 HydrophobicContact CD1-CG 3.86Å; L124-Y156 HydrophobicContact CG-CD2 4.33Å; L124-Y156 HydrophobicContact CG-CE2 4.41Å; L124-Y156 PolarHBondContact O-OH 3.29Å; D125-Y156 WeakPolarHBondContact OD1-CE2 3.34Å; D125-Y156 PolarHBondContact OD1-OH 2.77Å; I143-Y156 HydrophobicContact CB-CD1 4.36Å; I143-Y156 HydrophobicContact CD1-CD1 3.37Å; I143-Y156 HydrophobicContact CD1-CE1 4.07Å; I143-Y156 HydrophobicContact CD1-CG 3.83Å; I143-Y156 HydrophobicContact CG1-CD1 4.46Å; I143-Y156 HydrophobicContact CG2-CD1 4.22Å; I152-Y156 WeakPolarHBondContact O-CB 3.41Å; I152-Y156 PolarHBondContact O-N 3.05Å; W154-Y156 VanDerWaalsContact C-N 3.33Å; W154-Y156 PolarHBondContact O-N 2.89Å; Y156-A158 PolarHBondContact O-N 2.92Å; Y156-H159 HydrophobicContact CD2-CB 4.4Å; Y156-H159 AromaticContact CD2-CD2 3.97Å; Y156-H159 AromaticContact CE2-CD2 3.91Å; Y156-H159 PolarHBondContact O-N 3.04Å; Y156-H159 VanDerWaalsContact O-N 3.09Å; Y156-N160 HydrophobicContact CD2-CB 4.36Å; Y156-N160 HydrophobicContact CE1-CB 4.02Å; Y156-N160 HydrophobicContact CE2-CB 3.81Å; Y156-N160 PolarHBondContact O-N 3.18Å; Y156-N160 PolarHBondContact OH-ND2 3.09Å; Y156-L163 HydrophobicContact CD1-CD1 4.33Å; Y156-L163 HydrophobicContact CD1-CD2 4.1Å; Y156-L163 HydrophobicContact CE1-CD1 4.12Å
157	A	98.9	Very high	98.6	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-64.4	-28.2	173.2	0	0	0	0	0	113.2	T153 W154 L155 L163 A166 L192 N193 V196	T153-A157 PolarHBondContact O-N 3.15Å; T153-A157 VanDerWaalsContact O-N 3.12Å; W154-A157 PolarHBondContact O-N 3.46Å; L155-A157 VanDerWaalsContact C-N 3.33Å; L155-A157 PolarHBondContact O-N 2.93Å; A157-L163 HydrophobicContact CB-CD2 3.91Å; A157-A166 HydrophobicContact CB-CB 4.06Å; A157-L192 HydrophobicContact CB-CD2 3.77Å; A157-N193 PolarHBondContact O-N 3.19Å; A157-N193 PolarHBondContact O-ND2 3.05Å; A157-V196 HydrophobicContact CB-CG2 3.67Å
158	A	98.7	Very high	98.7	Very high	20 Å²	20	20.8 Å²	20.8	17%	0.165	11%	0.106	C	C	.	.	H	α-helix	trans	-83	-25.8	170.2	0	0	0	0	0	113.7	W154 L155 Y156 I188 D191 L192 N193	W154-A158 PolarHBondContact O-N 3.44Å; L155-A158 PolarHBondContact O-N 3.35Å; L155-A158 VanDerWaalsContact O-N 3.17Å; Y156-A158 PolarHBondContact O-N 2.92Å; A158-I188 HydrophobicContact CB-CB 3.73Å; A158-I188 HydrophobicContact CB-CD1 4.12Å; A158-I188 HydrophobicContact CB-CG1 4.03Å; A158-I188 HydrophobicContact CB-CG2 4.28Å; A158-D191 VanDerWaalsContact CA-O 3.31Å; A158-D191 WeakPolarHBondContact CA-O 3.5Å; A158-D191 HydrophobicContact CB-CB 3.81Å; A158-L192 HydrophobicContact CB-CD2 4.37Å; A158-N193 VanDerWaalsContact C-ND2 3.3Å; A158-N193 PolarHBondContact O-ND2 3.08Å
159	H	98.7	Very high	98.7	Very high	76 Å²	76	19.4 Å²	19.4	35%	0.352	10%	0.101	S	C	.	.	H	α-helix	trans	-80.3	-50.2	-176.9	178.2	80	0	0	0	113.4	L121 D125 L155 Y156 P161	L121-H159 HydrophobicContact CD1-CB 4.14Å; L121-H159 HydrophobicContact CD2-CB 3.98Å; L121-H159 HydrophobicContact CG-CB 4.45Å; D125-H159 IonicContact OD1-CD2 3.39Å; D125-H159 IonicContact OD1-NE2 3.94Å; D125-H159 IonicContact OD2-CD2 3.91Å; D125-H159 IonicContact OD2-CE1 3.52Å; D125-H159 IonicContact OD2-NE2 3.29Å; D125-H159 PolarHBondContact OD2-NE2 3.41Å; L155-H159 WeakPolarHBondContact O-CB 3.28Å; L155-H159 PolarHBondContact O-N 3.12Å; Y156-H159 HydrophobicContact CD2-CB 4.4Å; Y156-H159 AromaticContact CD2-CD2 3.97Å; Y156-H159 AromaticContact CE2-CD2 3.91Å; Y156-H159 PolarHBondContact O-N 3.04Å; Y156-H159 VanDerWaalsContact O-N 3.09Å; H159-P161 WeakPolarHBondContact O-CD 3.37Å
160	N	98.4	Very high	98.7	Very high	9 Å²	9	19.4 Å²	19.4	5%	0.048	10%	0.101	C	C	.	.			trans	-101.9	110.5	-169.8	-170.8	-39.4	0	0	0	112.1	D125 Y156 Q162 L163	D125-N160 PolarHBondContact OD1-ND2 3.04Å; Y156-N160 HydrophobicContact CD2-CB 4.36Å; Y156-N160 HydrophobicContact CE1-CB 4.02Å; Y156-N160 HydrophobicContact CE2-CB 3.81Å; Y156-N160 PolarHBondContact O-N 3.18Å; Y156-N160 PolarHBondContact OH-ND2 3.09Å; N160-Q162 PolarHBondContact O-N 3.29Å; N160-Q162 WeakPolarHBondContact OD1-CA 3.35Å; N160-Q162 VanDerWaalsContact OD1-CB 3.28Å; N160-Q162 WeakPolarHBondContact OD1-CB 3.29Å; N160-Q162 PolarHBondContact OD1-N 3.29Å; N160-L163 WeakPolarHBondContact O-CB 3.49Å; N160-L163 PolarHBondContact O-N 3.15Å; N160-L163 PolarHBondContact OD1-N 3.18Å
161	P	97.9	Very high	98.7	Very high	92 Å²	92	19.4 Å²	19.4	60%	0.597	10%	0.101	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-11.2	-179.4	29.4	-35.9	0	0	0	114.7	H159 N193	H159-P161 WeakPolarHBondContact O-CD 3.37Å; P161-N193 HydrophobicContact CB-CB 4.45Å
162	Q	97.2	Very high	98.7	Very high	113 Å²	113	24.3 Å²	24.3	53%	0.528	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-17.5	176.9	-58.1	-175	-36.6	0	0	112.7	N160 K164	N160-Q162 PolarHBondContact O-N 3.29Å; N160-Q162 WeakPolarHBondContact OD1-CA 3.35Å; N160-Q162 VanDerWaalsContact OD1-CB 3.28Å; N160-Q162 WeakPolarHBondContact OD1-CB 3.29Å; N160-Q162 PolarHBondContact OD1-N 3.29Å; Q162-K164 WeakPolarHBondContact O-CD 3.32Å; Q162-K164 WeakPolarHBondContact O-CE 3.39Å; Q162-K164 PolarHBondContact O-NZ 3.45Å
163	L	98.6	Very high	98.6	Very high	4 Å²	4	24.4 Å²	24.4	2%	0.021	12%	0.123	C	C	.	.			trans	-57.7	138.8	-179.5	-173	70.1	0	0	0	111.5	L141 I143 Y156 A157 N160 A166 A194	L141-L163 HydrophobicContact CD2-CD1 4.47Å; L141-L163 HydrophobicContact CG-CD1 4.08Å; I143-L163 HydrophobicContact CB-CD1 4.14Å; I143-L163 HydrophobicContact CG2-CD1 3.81Å; I143-L163 HydrophobicContact CG2-CD2 3.72Å; I143-L163 HydrophobicContact CG2-CG 4.36Å; Y156-L163 HydrophobicContact CD1-CD1 4.33Å; Y156-L163 HydrophobicContact CD1-CD2 4.1Å; Y156-L163 HydrophobicContact CE1-CD1 4.12Å; A157-L163 HydrophobicContact CB-CD2 3.91Å; N160-L163 WeakPolarHBondContact O-CB 3.49Å; N160-L163 PolarHBondContact O-N 3.15Å; N160-L163 PolarHBondContact OD1-N 3.18Å; L163-A166 HydrophobicContact CD2-CB 4.14Å; L163-A194 HydrophobicContact CB-CB 4.07Å; L163-A194 HydrophobicContact CD2-CB 3.92Å; L163-A194 HydrophobicContact CG-CB 3.92Å; L163-A194 WeakPolarHBondContact O-CB 3.36Å
164	K	98.7	Very high	98.6	Very high	69 Å²	69	26.3 Å²	26.3	30%	0.3	14%	0.135	S	C	.	.			trans	-104	-33	-175.3	-58.1	-52.1	176.4	-155.3	0	114.1	H139 L141 Q162 P195 Y265	H139-K164 WeakPolarHBondContact O-CE 3.48Å; H139-K164 VanDerWaalsContact O-CG 3.3Å; H139-K164 WeakPolarHBondContact O-CG 3.33Å; L141-K164 VanDerWaalsContact O-CB 3.31Å; L141-K164 WeakPolarHBondContact O-CB 3.19Å; L141-K164 PolarHBondContact O-N 3.33Å; Q162-K164 WeakPolarHBondContact O-CD 3.32Å; Q162-K164 WeakPolarHBondContact O-CE 3.39Å; Q162-K164 PolarHBondContact O-NZ 3.45Å; K164-P195 WeakPolarHBondContact O-CD 3.39Å; K164-Y265 WeakPolarHBondContact CB-O 3.37Å
165	A	98.8	Very high	98.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	149.7	174.1	0	0	0	0	0	110.7	M142 I143 P195 F262	M142-A165 VanDerWaalsContact CA-O 3.27Å; M142-A165 WeakPolarHBondContact CA-O 3.33Å; M142-A165 HydrophobicContact CG-CB 3.99Å; I143-A165 PolarHBondContact N-O 2.84Å; I143-A165 VanDerWaalsContact N-O 3.1Å; A165-P195 WeakPolarHBondContact CA-O 3.37Å; A165-F262 HydrophobicContact CB-CD1 4.03Å; A165-F262 HydrophobicContact CB-CE1 4.44Å
166	A	98.9	Very high	98.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	140.9	175.9	0	0	0	0	0	110.8	I143 T153 A157 L163 P195 V196 L197 W261	I143-A166 HydrophobicContact CG2-CB 3.62Å; I143-A166 CarbonylContact O-C 3.1Å; I143-A166 WeakPolarHBondContact O-CA 3.26Å; T153-A166 HydrophobicContact CG2-CB 3.81Å; A157-A166 HydrophobicContact CB-CB 4.06Å; L163-A166 HydrophobicContact CD2-CB 4.14Å; A166-P195 PolarHBondContact N-O 2.79Å; A166-V196 HydrophobicContact CB-CB 4.37Å; A166-V196 HydrophobicContact CB-CG1 3.99Å; A166-V196 HydrophobicContact CB-CG2 4.07Å; A166-V196 CarbonylContact O-C 3.55Å; A166-V196 WeakPolarHBondContact O-CA 3.24Å; A166-L197 PolarHBondContact O-N 3.04Å; A166-W261 PolarHBondContact O-NE1 3.23Å
167	V	99	Very high	98.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	107.3	173.9	-178	0	0	0	0	110.1	I143 T144 G145 L197 L199 M258 W261 F262	I143-V167 PolarHBondContact O-N 2.9Å; T144-V167 WeakPolarHBondContact CA-O 3.5Å; T144-V167 WeakPolarHBondContact CB-O 3.26Å; T144-V167 PolarHBondContact OG1-O 3.39Å; G145-V167 PolarHBondContact N-O 3.37Å; V167-L197 CarbonylContact C-O 3.59Å; V167-L197 VanDerWaalsContact CA-O 3.28Å; V167-L197 WeakPolarHBondContact CA-O 3.32Å; V167-L197 HydrophobicContact CG1-CB 4.45Å; V167-L197 HydrophobicContact CG1-CD2 4.23Å; V167-L197 HydrophobicContact CG1-CG 4.4Å; V167-L197 HydrophobicContact CG2-CB 4.18Å; V167-L197 HydrophobicContact CG2-CD2 4.39Å; V167-L199 HydrophobicContact CG1-CD1 3.75Å; V167-L199 HydrophobicContact CG1-CG 4.27Å; V167-M258 HydrophobicContact CB-CB 4.43Å; V167-M258 HydrophobicContact CB-CG 3.82Å; V167-M258 HydrophobicContact CG1-CB 3.92Å; V167-M258 HydrophobicContact CG1-CG 3.8Å; V167-M258 HydrophobicContact CG2-CB 4.28Å; V167-M258 HydrophobicContact CG2-CG 3.78Å; V167-W261 HydrophobicContact CG2-CB 4.1Å; V167-W261 HydrophobicContact CG2-CG 4.06Å; V167-F262 HydrophobicContact CB-CE1 4.18Å; V167-F262 HydrophobicContact CB-CZ 4.33Å; V167-F262 HydrophobicContact CG2-CD1 3.99Å; V167-F262 HydrophobicContact CG2-CE1 3.48Å; V167-F262 VanDerWaalsContact CG2-CE1 3.48Å; V167-F262 HydrophobicContact CG2-CZ 4.03Å
168	A	99	Very high	98.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	121.1	-177.4	0	0	0	0	0	111.2	G150 T153 W154 L197 G198 L199	G150-A168 WeakPolarHBondContact O-CB 3.5Å; T153-A168 HydrophobicContact CG2-CB 3.87Å; W154-A168 HydrophobicContact CG-CB 4.45Å; W154-A168 VanDerWaalsContact NE1-CB 3.29Å; A168-L197 PolarHBondContact N-O 3.23Å; A168-G198 WeakPolarHBondContact O-CA 3.37Å; A168-L199 PolarHBondContact O-N 2.78Å
169	W	98.9	Very high	97.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	115.8	176.3	-62.5	82.8	0	0	0	110.5	T144 G145 F146 C147 G171 L199 F238 N239 W255 M258	T144-W169 PolarHBondContact OG1-NE1 3.36Å; T144-W169 VanDerWaalsContact OG1-NE1 3.08Å; G145-W169 WeakPolarHBondContact O-CB 3.44Å; G145-W169 PolarHBondContact O-N 3.12Å; F146-W169 HydrophobicContact CD1-CB 3.55Å; F146-W169 AromaticContact CD1-CD1 3.75Å; F146-W169 HydrophobicContact CD1-CD2 4.12Å; F146-W169 AromaticContact CD1-CG 3.55Å; F146-W169 HydrophobicContact CD1-CG 3.55Å; F146-W169 HydrophobicContact CE1-CB 4.04Å; F146-W169 AromaticContact CE1-CD1 3.4Å; F146-W169 VanDerWaalsContact CE1-CD1 3.4Å; F146-W169 AromaticContact CE1-CD2 3.72Å; F146-W169 HydrophobicContact CE1-CD2 3.72Å; F146-W169 AromaticContact CE1-CE2 3.76Å; F146-W169 HydrophobicContact CE1-CE3 4.48Å; F146-W169 AromaticContact CE1-CG 3.49Å; F146-W169 HydrophobicContact CE1-CG 3.49Å; F146-W169 VanDerWaalsContact CE1-CG 3.49Å; F146-W169 AromaticContact CE1-NE1 3.59Å; F146-W169 HydrophobicContact CG-CB 4.27Å; F146-W169 HydrophobicContact CG-CG 4.49Å; F146-W169 AromaticContact CZ-CD1 3.86Å; F146-W169 HydrophobicContact CZ-CG 4.38Å; F146-W169 AromaticContact CZ-NE1 3.86Å; C147-W169 PolarHBondContact N-O 3.09Å; W169-G171 PolarHBondContact O-N 2.87Å; W169-L199 HydrophobicContact CD2-CB 4.34Å; W169-L199 HydrophobicContact CD2-CD1 3.71Å; W169-L199 HydrophobicContact CE3-CB 4.11Å; W169-L199 HydrophobicContact CE3-CD1 3.79Å; W169-L199 HydrophobicContact CG-CD1 4.49Å; W169-L199 HydrophobicContact CH2-CD1 3.84Å; W169-L199 HydrophobicContact CZ2-CD1 3.68Å; W169-L199 HydrophobicContact CZ3-CD1 3.86Å; W169-F238 AromaticContact CE3-CE2 3.91Å; W169-F238 HydrophobicContact CE3-CE2 3.91Å; W169-F238 AromaticContact CE3-CZ 3.83Å; W169-F238 HydrophobicContact CE3-CZ 3.83Å; W169-F238 AromaticContact CZ3-CE2 3.64Å; W169-F238 HydrophobicContact CZ3-CE2 3.64Å; W169-F238 HydrophobicContact CZ3-CZ 4Å; W169-N239 HydrophobicContact CE3-CB 3.81Å; W169-N239 HydrophobicContact CH2-CB 4.41Å; W169-N239 HydrophobicContact CZ3-CB 3.71Å; W169-W255 HydrophobicContact CH2-CB 4.45Å; W169-W255 VanDerWaalsContact CH2-N 3.31Å; W169-M258 HydrophobicContact CZ2-CB 4.26Å; W169-M258 HydrophobicContact CZ2-SD 4.16Å
170	Y	98.7	Very high	97.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.271	C	S	.	.	S	Bend	trans	40.9	47.7	171.6	44.9	-99.8	0	0	0	113.7	F146 C147 L199 I207 H236 A237 F238 N239	F146-Y170 HydrophobicContact CB-CE2 4.08Å; F146-Y170 WeakPolarHBondContact CD1-OH 3.37Å; C147-Y170 WeakPolarHBondContact CA-O 3.01Å; C147-Y170 HydrophobicContact CB-CD2 4.02Å; C147-Y170 HydrophobicContact CB-CE2 3.95Å; C147-Y170 VanDerWaalsContact N-CE2 3.34Å; Y170-L199 PolarHBondContact N-O 2.68Å; Y170-I207 WeakPolarHBondContact O-CD1 3.35Å; Y170-H236 AromaticContact CD2-CE1 3.69Å; Y170-H236 PolarHBondContact O-CE1 3.24Å; Y170-H236 VanDerWaalsContact O-CE1 3.26Å; Y170-A237 HydrophobicContact CE2-CB 4.21Å; Y170-F238 AromaticContact CD1-CD1 3.67Å; Y170-F238 HydrophobicContact CD1-CD1 3.67Å; Y170-F238 AromaticContact CD1-CE1 3.52Å; Y170-F238 HydrophobicContact CD1-CE1 3.52Å; Y170-F238 HydrophobicContact CD1-CG 4.44Å; Y170-F238 HydrophobicContact CD1-CZ 4.17Å; Y170-F238 HydrophobicContact CE1-CD1 4.16Å; Y170-F238 HydrophobicContact CE1-CE1 4.19Å; Y170-N239 HydrophobicContact CE1-CB 3.94Å
171	G	98.5	Very high	97.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.278	C	S	.	.			trans	-96.2	137.9	178.1	0	0	0	0	0	112.5	C147 W169 L173 Y200	C147-G171 WeakPolarHBondContact O-CA 3.37Å; W169-G171 PolarHBondContact O-N 2.87Å; G171-L173 PolarHBondContact O-N 3.12Å; G171-Y200 WeakPolarHBondContact O-CE1 3.09Å; G171-Y200 PolarHBondContact O-OH 3.44Å; G171-Y200 VanDerWaalsContact O-OH 3.1Å
172	K	98.4	Very high	97.8	Very high	119 Å²	119	50.2 Å²	50.2	52%	0.517	27%	0.272	S	S	.	.			trans	-53.4	128.9	-179.7	-75	-170.5	174.6	-175.3	0	111.5	P185 I207	K172-P185 WeakPolarHBondContact O-CD 3.33Å; K172-P185 VanDerWaalsContact O-CG 3.26Å; K172-P185 WeakPolarHBondContact O-CG 3.35Å; K172-I207 HydrophobicContact CG-CG1 4.27Å
173	L	98.8	Very high	97.9	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	27%	0.266	C	S	.	.	S	Bend	trans	-94.1	-28.5	-177.1	-70	170.9	0	0	0	113	G171 P185 V186 Y200 I207 V212 M215	G171-L173 PolarHBondContact O-N 3.12Å; L173-P185 HydrophobicContact CD2-CB 3.95Å; L173-P185 HydrophobicContact CD2-CG 4.49Å; L173-P185 WeakPolarHBondContact O-CD 3.45Å; L173-V186 PolarHBondContact O-N 3.14Å; L173-Y200 HydrophobicContact CD1-CE1 3.93Å; L173-Y200 HydrophobicContact CD1-CE2 4.27Å; L173-Y200 WeakPolarHBondContact CD2-OH 3.43Å; L173-Y200 HydrophobicContact CG-CE1 4.02Å; L173-Y200 WeakPolarHBondContact CG-OH 3.3Å; L173-I207 HydrophobicContact CD1-CG2 4.48Å; L173-V212 HydrophobicContact CD1-CB 4.37Å; L173-V212 HydrophobicContact CD1-CG2 3.99Å; L173-M215 HydrophobicContact CB-CB 4.26Å; L173-M215 HydrophobicContact CD1-CB 3.77Å; L173-M215 HydrophobicContact CD1-CG 4.23Å; L173-M215 HydrophobicContact CD2-CB 4.04Å; L173-M215 HydrophobicContact CD2-CG 3.63Å; L173-M215 HydrophobicContact CD2-SD 3.98Å; L173-M215 HydrophobicContact CG-CB 4.24Å; L173-M215 HydrophobicContact CG-CG 4.37Å
174	T	98.1	Very high	97.9	Very high	41 Å²	41	49.6 Å²	49.6	25%	0.252	27%	0.267	S	S	.	.	S	Bend	trans	-134.4	166.4	-179.9	64.9	0	0	0	0	108.4	V186 S211	T174-V186 HydrophobicContact CG2-CB 4.28Å; T174-V186 HydrophobicContact CG2-CG1 4.12Å; T174-S211 PolarHBondContact OG1-OG 2.87Å
175	G	95.1	Very high	97.9	Very high	43 Å²	43	46.3 Å²	46.3	44%	0.443	25%	0.253	S	S	.	.			trans	156.6	174.9	177.7	0	0	0	0	0	112.2	Q184	G175-Q184 WeakPolarHBondContact O-CG 3.33Å
176	D	95.3	Very high	97.8	Very high	153 Å²	153	48 Å²	48	82%	0.818	26%	0.263	S	S	*	.			trans	-62.3	147.2	177.7	-63.3	-36	0	0	0	111.5	Q184	D176-Q184 PolarHBondContact O-NE2 3.2Å
177	K	97	Very high	97.8	Very high	125 Å²	125	50.7 Å²	50.7	54%	0.543	28%	0.278	S	S	.	.			trans	-99	142.3	176.7	-63.5	174.7	-179.3	-173.7	0	109.2	S181 P182 D187	K177-S181 WeakPolarHBondContact CA-O 3.19Å; K177-P182 WeakPolarHBondContact CD-O 3.39Å; K177-D187 WeakPolarHBondContact CE-OD2 3.47Å; K177-D187 IonicContact NZ-OD1 3.7Å; K177-D187 PolarHBondContact NZ-OD1 3.46Å; K177-D187 IonicContact NZ-OD2 3.62Å; K177-D187 PolarHBondContact NZ-OD2 3.04Å; K177-D187 VanDerWaalsContact NZ-OD2 3.12Å
178	S	96.5	Very high	97.8	Very high	64 Å²	64	50.9 Å²	50.9	45%	0.448	28%	0.279	S	S	.	.			trans	-139.4	177.4	175.5	75.7	0	0	0	0	110.2	N180 S181 P182	S178-N180 VanDerWaalsContact C-N 3.25Å; S178-N180 PolarHBondContact O-N 3.18Å; S178-N180 PolarHBondContact OG-N 2.97Å; S178-S181 PolarHBondContact N-O 2.85Å; S178-S181 CarbonylContact O-C 3.56Å; S178-S181 PolarHBondContact O-N 2.83Å; S178-S181 PolarHBondContact OG-N 2.9Å; S178-P182 VanDerWaalsContact O-CA 3.29Å; S178-P182 WeakPolarHBondContact O-CA 3.49Å; S178-P182 VanDerWaalsContact O-N 3.16Å
179	L	96.4	Very high	97.8	Very high	175 Å²	175	51.2 Å²	51.2	92%	0.916	28%	0.281	S	S	*	.	S	Bend	trans	-59.9	-37.6	172.3	-68.3	175	0	0	0	112.1
180	N	97.3	Very high	97.7	Very high	48 Å²	48	56.4 Å²	56.4	26%	0.257	31%	0.313	S	S	.	.	S	Bend	trans	-79.3	-26.9	178.8	-73.3	-7.3	0	0	0	112.7	A113 K114 D117 S178	A113-N180 PolarHBondContact O-ND2 3.18Å; K114-N180 PolarHBondContact O-ND2 2.82Å; D117-N180 WeakPolarHBondContact CB-O 3.35Å; D117-N180 PolarHBondContact N-O 2.75Å; S178-N180 VanDerWaalsContact C-N 3.25Å; S178-N180 PolarHBondContact O-N 3.18Å; S178-N180 PolarHBondContact OG-N 2.97Å
181	S	97.1	Very high	97.7	Very high	26 Å²	26	59.5 Å²	59.5	18%	0.182	33%	0.329	C	S	.	.			trans	-132.8	70.9	-177.1	-59.7	0	0	0	0	110.8	D117 K177 S178 K183	D117-S181 WeakPolarHBondContact OD2-CA 3.37Å; K177-S181 WeakPolarHBondContact CA-O 3.19Å; S178-S181 PolarHBondContact N-O 2.85Å; S178-S181 CarbonylContact O-C 3.56Å; S178-S181 PolarHBondContact O-N 2.83Å; S178-S181 PolarHBondContact OG-N 2.9Å; S181-K183 VanDerWaalsContact C-N 3.33Å; S181-K183 PolarHBondContact O-N 2.67Å
182	P	97.8	Very high	97.7	Very high	73 Å²	73	61 Å²	61	47%	0.474	34%	0.337	S	S	.	.			trans	-76.3	-19.8	-170.5	29.9	-36.4	0	0	0	113.7	K177 S178	K177-P182 WeakPolarHBondContact CD-O 3.39Å; S178-P182 VanDerWaalsContact O-CA 3.29Å; S178-P182 WeakPolarHBondContact O-CA 3.49Å; S178-P182 VanDerWaalsContact O-N 3.16Å
183	K	98.2	Very high	97.7	Very high	94 Å²	94	59 Å²	59	41%	0.409	33%	0.332	S	S	.	.			trans	-127.3	151.2	179.1	-66.9	-169.5	178.5	-174.1	0	110.6	R151 S181 D187 I188 D191	R151-K183 PolarHBondContact NH2-O 3.47Å; S181-K183 VanDerWaalsContact C-N 3.33Å; S181-K183 PolarHBondContact O-N 2.67Å; K183-D187 HydrophobicContact CB-CB 4.26Å; K183-D187 HydrophobicContact CG-CB 4.45Å; K183-I188 HydrophobicContact CB-CG2 4.26Å; K183-I188 HydrophobicContact CD-CG2 3.55Å; K183-D191 IonicContact NZ-OD2 3.21Å; K183-D191 PolarHBondContact NZ-OD2 2.7Å
184	Q	98.5	Very high	97.6	Very high	10 Å²	10	59.3 Å²	59.3	5%	0.047	34%	0.335	C	S	.	.			trans	-113.9	164.4	168.9	-57.6	-58.6	-20.4	0	0	109.5	G175 D176 V186 D187	G175-Q184 WeakPolarHBondContact O-CG 3.33Å; D176-Q184 PolarHBondContact O-NE2 3.2Å; Q184-V186 HydrophobicContact CB-CG1 4.26Å; Q184-V186 PolarHBondContact O-N 3.29Å; Q184-V186 VanDerWaalsContact O-N 3.12Å; Q184-D187 PolarHBondContact N-OD2 2.73Å; Q184-D187 WeakPolarHBondContact O-CB 3.41Å; Q184-D187 PolarHBondContact O-N 2.95Å
185	P	98.7	Very high	97.7	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-51.2	-37.2	179.2	-33.9	40.4	0	0	0	114.5	R151 W154 K172 L173 D187 I188 M215	R151-P185 HydrophobicContact CG-CG 4.11Å; W154-P185 HydrophobicContact CB-CB 3.68Å; W154-P185 HydrophobicContact CB-CG 3.7Å; W154-P185 HydrophobicContact CD2-CB 4.29Å; W154-P185 HydrophobicContact CG-CB 3.74Å; W154-P185 HydrophobicContact CG-CG 3.95Å; K172-P185 WeakPolarHBondContact O-CD 3.33Å; K172-P185 VanDerWaalsContact O-CG 3.26Å; K172-P185 WeakPolarHBondContact O-CG 3.35Å; L173-P185 HydrophobicContact CD2-CB 3.95Å; L173-P185 HydrophobicContact CD2-CG 4.49Å; L173-P185 WeakPolarHBondContact O-CD 3.45Å; P185-D187 PolarHBondContact O-N 3.09Å; P185-I188 VanDerWaalsContact O-CD1 3.24Å; P185-I188 WeakPolarHBondContact O-CD1 3.5Å; P185-I188 VanDerWaalsContact O-CG1 3.32Å; P185-I188 WeakPolarHBondContact O-CG1 3.44Å; P185-I188 PolarHBondContact O-N 2.97Å; P185-M215 VanDerWaalsContact C-SD 3.58Å; P185-M215 HydrophobicContact CB-CE 4.12Å; P185-M215 HydrophobicContact CB-SD 4.06Å; P185-M215 WeakPolarHBondContact O-CE 3.22Å
186	V	98.4	Very high	97.8	Very high	35 Å²	35	56.1 Å²	56.1	21%	0.212	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-59.4	-30.9	175.6	69.5	0	0	0	0	113.3	L173 T174 Q184 I188 T214 M215 A218	L173-V186 PolarHBondContact O-N 3.14Å; T174-V186 HydrophobicContact CG2-CB 4.28Å; T174-V186 HydrophobicContact CG2-CG1 4.12Å; Q184-V186 HydrophobicContact CB-CG1 4.26Å; Q184-V186 PolarHBondContact O-N 3.29Å; Q184-V186 VanDerWaalsContact O-N 3.12Å; V186-I188 VanDerWaalsContact C-N 3.31Å; V186-I188 PolarHBondContact O-N 3.29Å; V186-T214 HydrophobicContact CG2-CG2 3.81Å; V186-M215 VanDerWaalsContact CA-SD 3.59Å; V186-M215 HydrophobicContact CB-SD 4.28Å; V186-A218 HydrophobicContact CG2-CB 3.93Å
187	D	98.5	Very high	98	Very high	57 Å²	57	49 Å²	49	31%	0.305	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-79.3	-12.4	-177.2	-58.2	-62.7	0	0	0	113.2	K177 K183 Q184 P185	K177-D187 WeakPolarHBondContact CE-OD2 3.47Å; K177-D187 IonicContact NZ-OD1 3.7Å; K177-D187 PolarHBondContact NZ-OD1 3.46Å; K177-D187 IonicContact NZ-OD2 3.62Å; K177-D187 PolarHBondContact NZ-OD2 3.04Å; K177-D187 VanDerWaalsContact NZ-OD2 3.12Å; K183-D187 HydrophobicContact CB-CB 4.26Å; K183-D187 HydrophobicContact CG-CB 4.45Å; Q184-D187 PolarHBondContact N-OD2 2.73Å; Q184-D187 WeakPolarHBondContact O-CB 3.41Å; Q184-D187 PolarHBondContact O-N 2.95Å; P185-D187 PolarHBondContact O-N 3.09Å
188	I	98.5	Very high	98.1	Very high	5 Å²	5	43 Å²	43	3%	0.026	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-113.8	9.3	-172.5	60.3	65	0	0	0	113.8	W154 L155 A158 K183 P185 V186 T190 D191 L192	W154-I188 HydrophobicContact CB-CD1 4.46Å; L155-I188 HydrophobicContact CD2-CG1 4.04Å; L155-I188 HydrophobicContact CD2-CG2 4.26Å; A158-I188 HydrophobicContact CB-CB 3.73Å; A158-I188 HydrophobicContact CB-CD1 4.12Å; A158-I188 HydrophobicContact CB-CG1 4.03Å; A158-I188 HydrophobicContact CB-CG2 4.28Å; K183-I188 HydrophobicContact CB-CG2 4.26Å; K183-I188 HydrophobicContact CD-CG2 3.55Å; P185-I188 VanDerWaalsContact O-CD1 3.24Å; P185-I188 WeakPolarHBondContact O-CD1 3.5Å; P185-I188 VanDerWaalsContact O-CG1 3.32Å; P185-I188 WeakPolarHBondContact O-CG1 3.44Å; P185-I188 PolarHBondContact O-N 2.97Å; V186-I188 VanDerWaalsContact C-N 3.31Å; V186-I188 PolarHBondContact O-N 3.29Å; I188-T190 PolarHBondContact O-N 3.48Å; I188-T190 VanDerWaalsContact O-N 3.14Å; I188-D191 HydrophobicContact CB-CB 4.39Å; I188-D191 PolarHBondContact O-N 2.96Å; I188-L192 HydrophobicContact CD1-CD2 3.56Å; I188-L192 HydrophobicContact CD1-CG 4.07Å; I188-L192 PolarHBondContact O-N 3.42Å
189	A	98.2	Very high	98.2	Very high	6 Å²	6	40 Å²	40	5%	0.05	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-56	-34.7	-176.5	0	0	0	0	0	113	D191 A218 L219 A222	A189-D191 VanDerWaalsContact C-N 3.3Å; A189-A218 HydrophobicContact CB-CB 3.85Å; A189-L219 HydrophobicContact CB-CD2 4.22Å; A189-A222 HydrophobicContact CB-CB 4.01Å; A189-A222 WeakPolarHBondContact O-CB 3.38Å
190	T	98	Very high	98.3	Very high	109 Å²	109	31.8 Å²	31.8	67%	0.669	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-74.5	-18.7	176.4	52.8	0	0	0	0	114.1	I188 A222	I188-T190 PolarHBondContact O-N 3.48Å; I188-T190 VanDerWaalsContact O-N 3.14Å; T190-A222 HydrophobicContact CG2-CB 3.98Å
191	D	98.4	Very high	98.4	Very high	65 Å²	65	29.5 Å²	29.5	35%	0.348	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-99.6	-3.2	-170.1	-57.2	-13.3	0	0	0	111.4	A158 K183 I188 A189 N193	A158-D191 VanDerWaalsContact CA-O 3.31Å; A158-D191 WeakPolarHBondContact CA-O 3.5Å; A158-D191 HydrophobicContact CB-CB 3.81Å; K183-D191 IonicContact NZ-OD2 3.21Å; K183-D191 PolarHBondContact NZ-OD2 2.7Å; I188-D191 HydrophobicContact CB-CB 4.39Å; I188-D191 PolarHBondContact O-N 2.96Å; A189-D191 VanDerWaalsContact C-N 3.3Å; D191-N193 PolarHBondContact O-N 3.36Å; D191-N193 PolarHBondContact O-ND2 3.5Å
192	L	98.6	Very high	98.5	Very high	31 Å²	31	29.3 Å²	29.3	16%	0.162	17%	0.169	C	C	.	.			trans	-63	121.1	-176.5	-69.7	178.2	0	0	0	112.5	W154 A157 A158 I188 V196 L219 A224	W154-L192 HydrophobicContact CE3-CD1 4.33Å; W154-L192 HydrophobicContact CE3-CD2 4.31Å; W154-L192 HydrophobicContact CZ3-CD1 4Å; A157-L192 HydrophobicContact CB-CD2 3.77Å; A158-L192 HydrophobicContact CB-CD2 4.37Å; I188-L192 HydrophobicContact CD1-CD2 3.56Å; I188-L192 HydrophobicContact CD1-CG 4.07Å; I188-L192 PolarHBondContact O-N 3.42Å; L192-V196 HydrophobicContact CD1-CG2 4.17Å; L192-V196 HydrophobicContact CD2-CG2 3.91Å; L192-L219 HydrophobicContact CD1-CD2 3.59Å; L192-A224 HydrophobicContact CD1-CB 4.02Å
193	N	97.7	Very high	98.5	Very high	78 Å²	78	30.9 Å²	30.9	42%	0.417	17%	0.172	S	C	.	.			trans	-94.3	-15.2	178.8	-58.5	-79.4	0	0	0	113.7	A157 A158 P161 D191	A157-N193 PolarHBondContact O-N 3.19Å; A157-N193 PolarHBondContact O-ND2 3.05Å; A158-N193 VanDerWaalsContact C-ND2 3.3Å; A158-N193 PolarHBondContact O-ND2 3.08Å; P161-N193 HydrophobicContact CB-CB 4.45Å; D191-N193 PolarHBondContact O-N 3.36Å; D191-N193 PolarHBondContact O-ND2 3.5Å
194	A	98.2	Very high	98.5	Very high	7 Å²	7	26.7 Å²	26.7	6%	0.058	16%	0.155	C	C	.	.	S	Bend	trans	-133.3	152.1	-174.1	0	0	0	0	0	111.6	L163 V196	L163-A194 HydrophobicContact CB-CB 4.07Å; L163-A194 HydrophobicContact CD2-CB 3.92Å; L163-A194 HydrophobicContact CG-CB 3.92Å; L163-A194 WeakPolarHBondContact O-CB 3.36Å; A194-V196 WeakPolarHBondContact O-CG2 3.49Å; A194-V196 PolarHBondContact O-N 3.45Å
195	P	98.7	Very high	98.4	Very high	17 Å²	17	33.4 Å²	33.4	11%	0.11	19%	0.191	C	C	.	.			trans	-55.8	126.6	168.2	-25.5	34.4	0	0	0	112.5	K164 A165 A166 K225 W261 Y265	K164-P195 WeakPolarHBondContact O-CD 3.39Å; A165-P195 WeakPolarHBondContact CA-O 3.37Å; A166-P195 PolarHBondContact N-O 2.79Å; P195-K225 WeakPolarHBondContact CA-O 3.49Å; P195-K225 HydrophobicContact CB-CD 4.31Å; P195-K225 HydrophobicContact CB-CG 4.07Å; P195-K225 HydrophobicContact CG-CD 3.82Å; P195-K225 HydrophobicContact CG-CG 4.1Å; P195-W261 HydrophobicContact CB-CH2 4.42Å; P195-W261 HydrophobicContact CB-CZ2 3.45Å; P195-W261 VanDerWaalsContact CB-CZ2 3.45Å; P195-W261 PolarHBondContact O-NE1 3.22Å; P195-Y265 HydrophobicContact CB-CD1 4.39Å; P195-Y265 HydrophobicContact CB-CD2 3.71Å; P195-Y265 HydrophobicContact CB-CE2 4.06Å; P195-Y265 HydrophobicContact CB-CG 3.86Å; P195-Y265 HydrophobicContact CG-CD1 3.95Å; P195-Y265 HydrophobicContact CG-CD2 4.16Å; P195-Y265 HydrophobicContact CG-CE1 4.46Å; P195-Y265 HydrophobicContact CG-CG 3.78Å
196	V	98.9	Very high	98.3	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	129.6	177.8	-166.2	0	0	0	0	112.5	W154 A157 A166 L192 A194 K225 A226 E227 W261	W154-V196 HydrophobicContact CD2-CG1 3.83Å; W154-V196 HydrophobicContact CE3-CB 3.98Å; W154-V196 HydrophobicContact CE3-CG1 3.59Å; W154-V196 HydrophobicContact CE3-CG2 4.07Å; W154-V196 HydrophobicContact CH2-CB 3.76Å; W154-V196 HydrophobicContact CH2-CG1 3.48Å; W154-V196 VanDerWaalsContact CH2-CG1 3.48Å; W154-V196 HydrophobicContact CZ2-CB 4.5Å; W154-V196 HydrophobicContact CZ2-CG1 3.74Å; W154-V196 HydrophobicContact CZ3-CB 3.45Å; W154-V196 VanDerWaalsContact CZ3-CB 3.45Å; W154-V196 HydrophobicContact CZ3-CG1 3.4Å; W154-V196 VanDerWaalsContact CZ3-CG1 3.4Å; W154-V196 HydrophobicContact CZ3-CG2 3.88Å; A157-V196 HydrophobicContact CB-CG2 3.67Å; A166-V196 HydrophobicContact CB-CB 4.37Å; A166-V196 HydrophobicContact CB-CG1 3.99Å; A166-V196 HydrophobicContact CB-CG2 4.07Å; A166-V196 CarbonylContact O-C 3.55Å; A166-V196 WeakPolarHBondContact O-CA 3.24Å; L192-V196 HydrophobicContact CD1-CG2 4.17Å; L192-V196 HydrophobicContact CD2-CG2 3.91Å; A194-V196 WeakPolarHBondContact O-CG2 3.49Å; A194-V196 PolarHBondContact O-N 3.45Å; V196-K225 PolarHBondContact N-O 3.43Å; V196-K225 VanDerWaalsContact N-O 3.15Å; V196-A226 HydrophobicContact CB-CB 4.26Å; V196-A226 CarbonylContact O-C 3.55Å; V196-A226 WeakPolarHBondContact O-CA 3.45Å; V196-A226 WeakPolarHBondContact O-CB 3.34Å; V196-E227 PolarHBondContact O-N 3.27Å; V196-W261 VanDerWaalsContact C-CZ2 3.4Å; V196-W261 WeakPolarHBondContact O-CZ2 3.49Å
197	L	98.9	Very high	98.3	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	124.5	167.6	173.5	65.8	0	0	0	109.8	A166 V167 A168 L199 E227 I229 R257 W261	A166-L197 PolarHBondContact O-N 3.04Å; V167-L197 CarbonylContact C-O 3.59Å; V167-L197 VanDerWaalsContact CA-O 3.28Å; V167-L197 WeakPolarHBondContact CA-O 3.32Å; V167-L197 HydrophobicContact CG1-CB 4.45Å; V167-L197 HydrophobicContact CG1-CD2 4.23Å; V167-L197 HydrophobicContact CG1-CG 4.4Å; V167-L197 HydrophobicContact CG2-CB 4.18Å; V167-L197 HydrophobicContact CG2-CD2 4.39Å; A168-L197 PolarHBondContact N-O 3.23Å; L197-L199 HydrophobicContact CD1-CD2 4.18Å; L197-L199 HydrophobicContact CD2-CD2 4.02Å; L197-L199 HydrophobicContact CD2-CG 4.38Å; L197-L199 HydrophobicContact CG-CD2 3.99Å; L197-L199 HydrophobicContact CG-CG 4.23Å; L197-E227 CarbonylContact C-O 3.2Å; L197-E227 WeakPolarHBondContact CA-O 3.5Å; L197-E227 HydrophobicContact CD1-CB 4.08Å; L197-E227 HydrophobicContact CD1-CG 4.26Å; L197-I229 HydrophobicContact CD1-CG1 3.97Å; L197-R257 HydrophobicContact CD2-CB 3.91Å; L197-W261 HydrophobicContact CB-CD2 3.64Å; L197-W261 HydrophobicContact CB-CE3 3.92Å; L197-W261 HydrophobicContact CB-CG 3.94Å; L197-W261 HydrophobicContact CB-CH2 4.45Å; L197-W261 HydrophobicContact CB-CZ2 4.21Å; L197-W261 HydrophobicContact CB-CZ3 4.3Å; L197-W261 HydrophobicContact CD2-CB 4.1Å; L197-W261 HydrophobicContact CD2-CD2 4.37Å; L197-W261 HydrophobicContact CD2-CE3 4.32Å; L197-W261 HydrophobicContact CD2-CG 4.3Å; L197-W261 HydrophobicContact CG-CE3 4.5Å
198	G	98.9	Very high	98.3	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	132.8	171.3	0	0	0	0	0	111.9	A168 E227 I228 I229	A168-G198 WeakPolarHBondContact O-CA 3.37Å; G198-E227 PolarHBondContact N-O 3.22Å; G198-I228 WeakPolarHBondContact O-CA 3.27Å; G198-I229 PolarHBondContact O-N 3.31Å
199	L	98.9	Very high	98.2	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	110.4	179.8	-60.3	175.4	0	0	0	109.8	V167 A168 W169 Y170 L197 I229 Y231 F238 G254	V167-L199 HydrophobicContact CG1-CD1 3.75Å; V167-L199 HydrophobicContact CG1-CG 4.27Å; A168-L199 PolarHBondContact O-N 2.78Å; W169-L199 HydrophobicContact CD2-CB 4.34Å; W169-L199 HydrophobicContact CD2-CD1 3.71Å; W169-L199 HydrophobicContact CE3-CB 4.11Å; W169-L199 HydrophobicContact CE3-CD1 3.79Å; W169-L199 HydrophobicContact CG-CD1 4.49Å; W169-L199 HydrophobicContact CH2-CD1 3.84Å; W169-L199 HydrophobicContact CZ2-CD1 3.68Å; W169-L199 HydrophobicContact CZ3-CD1 3.86Å; Y170-L199 PolarHBondContact N-O 2.68Å; L197-L199 HydrophobicContact CD1-CD2 4.18Å; L197-L199 HydrophobicContact CD2-CD2 4.02Å; L197-L199 HydrophobicContact CD2-CG 4.38Å; L197-L199 HydrophobicContact CG-CD2 3.99Å; L197-L199 HydrophobicContact CG-CG 4.23Å; L199-I229 HydrophobicContact CD2-CB 4.02Å; L199-I229 HydrophobicContact CD2-CG1 4.28Å; L199-Y231 HydrophobicContact CB-CE2 4.31Å; L199-Y231 HydrophobicContact CD2-CE2 4.13Å; L199-F238 HydrophobicContact CB-CZ 4.19Å; L199-G254 WeakPolarHBondContact CD1-O 3.33Å
200	Y	98.9	Very high	98.3	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.008	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	153.2	-169.7	-68.4	-92.1	0	0	0	113.1	W154 G171 L173 I207 V212 I228 I229 V230 Y231	W154-Y200 PolarHBondContact NE1-OH 2.86Å; W154-Y200 VanDerWaalsContact NE1-OH 3.11Å; G171-Y200 WeakPolarHBondContact O-CE1 3.09Å; G171-Y200 PolarHBondContact O-OH 3.44Å; G171-Y200 VanDerWaalsContact O-OH 3.1Å; L173-Y200 HydrophobicContact CD1-CE1 3.93Å; L173-Y200 HydrophobicContact CD1-CE2 4.27Å; L173-Y200 WeakPolarHBondContact CD2-OH 3.43Å; L173-Y200 HydrophobicContact CG-CE1 4.02Å; L173-Y200 WeakPolarHBondContact CG-OH 3.3Å; Y200-I207 HydrophobicContact CD1-CD1 4.16Å; Y200-I207 HydrophobicContact CD1-CG2 3.95Å; Y200-I207 HydrophobicContact CE1-CD1 4.02Å; Y200-I207 HydrophobicContact CE1-CG2 4.03Å; Y200-V212 HydrophobicContact CD1-CG2 4.43Å; Y200-V212 HydrophobicContact CG-CG2 4.38Å; Y200-I228 HydrophobicContact CD2-CG2 3.57Å; Y200-I228 HydrophobicContact CE2-CG2 3.95Å; Y200-I229 PolarHBondContact N-O 3Å; Y200-V230 CarbonylContact O-C 3.28Å; Y200-V230 WeakPolarHBondContact O-CA 3.38Å; Y200-Y231 WeakPolarHBondContact O-CD2 3.28Å; Y200-Y231 PolarHBondContact O-N 2.9Å
201	G	98.6	Very high	98.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	136.3	173	0	0	0	0	0	112.1	L203 D204 Q209 A234	G201-L203 VanDerWaalsContact C-N 3.3Å; G201-D204 WeakPolarHBondContact O-CB 3.11Å; G201-D204 PolarHBondContact O-N 3.09Å; G201-Q209 PolarHBondContact O-NE2 3.02Å; G201-A234 CarbonylContact C-O 3.59Å; G201-A234 WeakPolarHBondContact CA-O 3.4Å
202	G	98.5	Very high	98.3	Very high	22 Å²	22	38.1 Å²	38.1	23%	0.227	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-29.2	175.1	0	0	0	0	0	113.1	Y231 A234	G202-Y231 PolarHBondContact N-O 2.74Å; G202-A234 PolarHBondContact N-O 2.92Å
203	L	98.4	Very high	98.3	Very high	106 Å²	106	39.8 Å²	39.8	56%	0.555	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.7	11.1	178.8	-52	-179.4	0	0	0	112.6	G201 N205 P232 A234	G201-L203 VanDerWaalsContact C-N 3.3Å; L203-N205 PolarHBondContact O-N 2.88Å; L203-N205 VanDerWaalsContact O-N 3.12Å; L203-P232 WeakPolarHBondContact CG-O 3.48Å; L203-A234 PolarHBondContact N-O 3.32Å
204	D	98.4	Very high	98.3	Very high	6 Å²	6	38.5 Å²	38.5	3%	0.032	21%	0.214	C	C	.	.			trans	-77.4	95.6	179.5	-171.9	-11.5	0	0	0	111.4	G201 S206 I207 H236	G201-D204 WeakPolarHBondContact O-CB 3.11Å; G201-D204 PolarHBondContact O-N 3.09Å; D204-S206 PolarHBondContact O-N 3.33Å; D204-S206 WeakPolarHBondContact OD1-CA 3.42Å; D204-S206 WeakPolarHBondContact OD1-CB 3.46Å; D204-S206 PolarHBondContact OD1-N 3.09Å; D204-S206 PolarHBondContact OD1-OG 2.88Å; D204-I207 CarbonylContact O-C 3.54Å; D204-I207 PolarHBondContact O-N 3.43Å; D204-I207 PolarHBondContact OD1-N 3.24Å; D204-H236 HydrophobicContact CB-CB 4.42Å; D204-H236 WeakPolarHBondContact OD1-CB 3.47Å; D204-H236 IonicContact OD1-CG 3.45Å; D204-H236 IonicContact OD1-ND1 2.64Å; D204-H236 WeakPolarHBondContact OD2-CA 3.32Å; D204-H236 WeakPolarHBondContact OD2-CB 3.14Å; D204-H236 IonicContact OD2-CE1 3.29Å; D204-H236 IonicContact OD2-CG 2.7Å; D204-H236 IonicContact OD2-ND1 3.04Å; D204-H236 PolarHBondContact OD2-ND1 3.06Å
205	N	97	Very high	98.4	Very high	152 Å²	152	38.2 Å²	38.2	81%	0.813	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-16.6	177.1	-65.2	-39.1	0	0	0	113.6	L203 I207	L203-N205 PolarHBondContact O-N 2.88Å; L203-N205 VanDerWaalsContact O-N 3.12Å; N205-I207 VanDerWaalsContact C-N 3.34Å
206	S	96.6	Very high	98.4	Very high	60 Å²	60	40.8 Å²	40.8	42%	0.42	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-16.9	176.7	78.6	0	0	0	0	112.8	D204 H236	D204-S206 PolarHBondContact O-N 3.33Å; D204-S206 WeakPolarHBondContact OD1-CA 3.42Å; D204-S206 WeakPolarHBondContact OD1-CB 3.46Å; D204-S206 PolarHBondContact OD1-N 3.09Å; D204-S206 PolarHBondContact OD1-OG 2.88Å; S206-H236 PolarHBondContact OG-ND1 3.49Å
207	I	98.2	Very high	98.4	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.021	24%	0.242	C	C	.	.	S	Bend	trans	-132.4	80.4	174.7	-53.9	174.8	0	0	0	108	Y170 K172 L173 Y200 D204 N205 V212	Y170-I207 WeakPolarHBondContact O-CD1 3.35Å; K172-I207 HydrophobicContact CG-CG1 4.27Å; L173-I207 HydrophobicContact CD1-CG2 4.48Å; Y200-I207 HydrophobicContact CD1-CD1 4.16Å; Y200-I207 HydrophobicContact CD1-CG2 3.95Å; Y200-I207 HydrophobicContact CE1-CD1 4.02Å; Y200-I207 HydrophobicContact CE1-CG2 4.03Å; D204-I207 CarbonylContact O-C 3.54Å; D204-I207 PolarHBondContact O-N 3.43Å; D204-I207 PolarHBondContact OD1-N 3.24Å; N205-I207 VanDerWaalsContact C-N 3.34Å; I207-V212 HydrophobicContact CG2-CG2 4.3Å
208	P	97.4	Very high	98.4	Very high	61 Å²	61	46.6 Å²	46.6	40%	0.396	25%	0.25	S	C	.	.			trans	-57.5	149.6	-176.4	-24.4	34.1	0	0	0	112.3	E210 S211 V212	P208-E210 PolarHBondContact O-N 2.88Å; P208-E210 VanDerWaalsContact O-N 3.09Å; P208-S211 WeakPolarHBondContact O-CA 3.43Å; P208-S211 WeakPolarHBondContact O-CB 3.29Å; P208-S211 PolarHBondContact O-N 3.26Å; P208-V212 PolarHBondContact O-N 2.81Å
209	Q	97.9	Very high	98.3	Very high	78 Å²	78	47.1 Å²	47.1	36%	0.364	25%	0.252	S	S	.	.	H	α-helix	trans	-57.3	-27.8	177.9	-66.5	-56.6	-56.4	0	0	113	G201 S211 V212 E213	G201-Q209 PolarHBondContact O-NE2 3.02Å; Q209-S211 PolarHBondContact O-N 3.04Å; Q209-V212 WeakPolarHBondContact O-CB 3.49Å; Q209-V212 PolarHBondContact O-N 3.1Å; Q209-E213 PolarHBondContact O-N 2.97Å
210	E	98.3	Very high	98.3	Very high	154 Å²	154	54.1 Å²	54.1	72%	0.72	28%	0.279	S	S	*	.	H	α-helix	trans	-57.5	-45.8	170.6	-175.7	178.7	179.3	0	0	111.9	P208 V212 E213 T214	P208-E210 PolarHBondContact O-N 2.88Å; P208-E210 VanDerWaalsContact O-N 3.09Å; E210-V212 VanDerWaalsContact C-N 3.3Å; E210-V212 PolarHBondContact O-N 3.11Å; E210-E213 PolarHBondContact O-N 2.78Å; E210-T214 PolarHBondContact O-N 2.95Å; E210-T214 PolarHBondContact O-OG1 3.33Å
211	S	98.4	Very high	98.3	Very high	18 Å²	18	58.3 Å²	58.3	13%	0.126	31%	0.314	C	S	.	.	H	α-helix	trans	-64.9	-35	177.2	-65	0	0	0	0	112.3	T174 P208 Q209 M215	T174-S211 PolarHBondContact OG1-OG 2.87Å; P208-S211 WeakPolarHBondContact O-CA 3.43Å; P208-S211 WeakPolarHBondContact O-CB 3.29Å; P208-S211 PolarHBondContact O-N 3.26Å; Q209-S211 PolarHBondContact O-N 3.04Å; S211-M215 PolarHBondContact O-N 2.82Å
212	V	98.7	Very high	98.3	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-64	-44.8	173.2	175.6	0	0	0	0	110.9	L173 Y200 I207 P208 Q209 E210 M215 R216 I228 V230	L173-V212 HydrophobicContact CD1-CB 4.37Å; L173-V212 HydrophobicContact CD1-CG2 3.99Å; Y200-V212 HydrophobicContact CD1-CG2 4.43Å; Y200-V212 HydrophobicContact CG-CG2 4.38Å; I207-V212 HydrophobicContact CG2-CG2 4.3Å; P208-V212 PolarHBondContact O-N 2.81Å; Q209-V212 WeakPolarHBondContact O-CB 3.49Å; Q209-V212 PolarHBondContact O-N 3.1Å; E210-V212 VanDerWaalsContact C-N 3.3Å; E210-V212 PolarHBondContact O-N 3.11Å; V212-M215 PolarHBondContact O-N 3.23Å; V212-R216 WeakPolarHBondContact O-CG 3.17Å; V212-R216 PolarHBondContact O-N 3.4Å; V212-I228 HydrophobicContact CG1-CG2 3.73Å; V212-V230 HydrophobicContact CG1-CG2 3.89Å
213	E	98.6	Very high	98.2	Very high	66 Å²	66	66 Å²	66	31%	0.308	35%	0.354	S	S	.	.	H	α-helix	trans	-69.5	-38.5	178.8	-173	52.4	-143.7	0	0	112.2	Q209 E210 M215 R216 Q217 R220	Q209-E213 PolarHBondContact O-N 2.97Å; E210-E213 PolarHBondContact O-N 2.78Å; E213-M215 VanDerWaalsContact C-N 3.29Å; E213-M215 PolarHBondContact O-N 2.89Å; E213-R216 PolarHBondContact O-N 3.34Å; E213-R216 WeakPolarHBondContact OE2-CD 3.43Å; E213-R216 IonicContact OE2-NH1 3.86Å; E213-Q217 WeakPolarHBondContact O-CG 3.03Å; E213-Q217 PolarHBondContact O-N 2.95Å; E213-R220 IonicContact OE1-CZ 3.12Å; E213-R220 IonicContact OE1-NH1 2.75Å; E213-R220 PolarHBondContact OE1-NH1 3.02Å; E213-R220 IonicContact OE1-NH2 3.12Å; E213-R220 PolarHBondContact OE1-NH2 3.06Å
214	T	98.6	Very high	98.2	Very high	52 Å²	52	62.1 Å²	62.1	32%	0.319	34%	0.338	S	S	.	.	H	α-helix	trans	-56.5	-44.9	171.4	-55.3	0	0	0	0	111	V186 E210 Q217 A218	V186-T214 HydrophobicContact CG2-CG2 3.81Å; E210-T214 PolarHBondContact O-N 2.95Å; E210-T214 PolarHBondContact O-OG1 3.33Å; T214-Q217 WeakPolarHBondContact O-CB 3.38Å; T214-Q217 PolarHBondContact O-N 3.06Å; T214-A218 PolarHBondContact O-N 2.89Å
215	M	98.8	Very high	98.2	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-63.8	-44.2	176	-172.8	68.9	-171.8	0	0	111.8	W154 L173 P185 V186 S211 V212 E213 Q217 A218 L219 I228	W154-M215 HydrophobicContact CD2-CE 4.05Å; W154-M215 HydrophobicContact CE3-CE 3.56Å; W154-M215 HydrophobicContact CH2-CE 4.02Å; W154-M215 HydrophobicContact CZ2-CE 4.44Å; W154-M215 HydrophobicContact CZ3-CE 3.55Å; L173-M215 HydrophobicContact CB-CB 4.26Å; L173-M215 HydrophobicContact CD1-CB 3.77Å; L173-M215 HydrophobicContact CD1-CG 4.23Å; L173-M215 HydrophobicContact CD2-CB 4.04Å; L173-M215 HydrophobicContact CD2-CG 3.63Å; L173-M215 HydrophobicContact CD2-SD 3.98Å; L173-M215 HydrophobicContact CG-CB 4.24Å; L173-M215 HydrophobicContact CG-CG 4.37Å; P185-M215 VanDerWaalsContact C-SD 3.58Å; P185-M215 HydrophobicContact CB-CE 4.12Å; P185-M215 HydrophobicContact CB-SD 4.06Å; P185-M215 WeakPolarHBondContact O-CE 3.22Å; V186-M215 VanDerWaalsContact CA-SD 3.59Å; V186-M215 HydrophobicContact CB-SD 4.28Å; S211-M215 PolarHBondContact O-N 2.82Å; V212-M215 PolarHBondContact O-N 3.23Å; E213-M215 VanDerWaalsContact C-N 3.29Å; E213-M215 PolarHBondContact O-N 2.89Å; M215-Q217 VanDerWaalsContact C-N 3.26Å; M215-Q217 PolarHBondContact O-N 3.18Å; M215-A218 PolarHBondContact O-N 3.41Å; M215-L219 HydrophobicContact CE-CD1 4.08Å; M215-L219 HydrophobicContact CE-CD2 3.72Å; M215-L219 HydrophobicContact CE-CG 3.85Å; M215-L219 HydrophobicContact CG-CD1 3.96Å; M215-L219 HydrophobicContact CG-CG 4.27Å; M215-L219 WeakPolarHBondContact O-CB 3.49Å; M215-L219 VanDerWaalsContact O-CG 3.28Å; M215-L219 WeakPolarHBondContact O-CG 3.38Å; M215-L219 PolarHBondContact O-N 2.96Å; M215-I228 HydrophobicContact CB-CD1 3.98Å; M215-I228 HydrophobicContact CG-CD1 3.65Å
216	R	98.7	Very high	98.3	Very high	72 Å²	72	61.5 Å²	61.5	27%	0.272	33%	0.333	S	S	.	.	H	α-helix	trans	-58.3	-39.5	176.1	-74.5	180	172.8	138.1	0	111.9	V212 E213 R220 I228	V212-R216 WeakPolarHBondContact O-CG 3.17Å; V212-R216 PolarHBondContact O-N 3.4Å; E213-R216 PolarHBondContact O-N 3.34Å; E213-R216 WeakPolarHBondContact OE2-CD 3.43Å; E213-R216 IonicContact OE2-NH1 3.86Å; R216-R220 WeakPolarHBondContact O-CB 3.34Å; R216-R220 VanDerWaalsContact O-CG 3.31Å; R216-R220 WeakPolarHBondContact O-CG 3.1Å; R216-R220 PolarHBondContact O-N 3.19Å; R216-I228 HydrophobicContact CG-CB 4.42Å; R216-I228 HydrophobicContact CG-CD1 4.12Å; R216-I228 PolarHBondContact NH2-O 2.86Å
217	Q	98.7	Very high	98.4	Very high	105 Å²	105	63 Å²	63	49%	0.491	33%	0.333	S	S	.	.	H	α-helix	trans	-63.4	-47.2	175.2	-71.3	172.7	12.5	0	0	111.7	E213 T214 M215 L219 R220 A221	E213-Q217 WeakPolarHBondContact O-CG 3.03Å; E213-Q217 PolarHBondContact O-N 2.95Å; T214-Q217 WeakPolarHBondContact O-CB 3.38Å; T214-Q217 PolarHBondContact O-N 3.06Å; M215-Q217 VanDerWaalsContact C-N 3.26Å; M215-Q217 PolarHBondContact O-N 3.18Å; Q217-L219 PolarHBondContact O-N 3.33Å; Q217-R220 PolarHBondContact O-N 3.47Å; Q217-A221 WeakPolarHBondContact O-CB 3.28Å; Q217-A221 PolarHBondContact O-N 3.48Å
218	A	98.7	Very high	98.4	Very high	21 Å²	21	63.4 Å²	63.4	17%	0.174	34%	0.335	C	S	.	.	H	α-helix	trans	-60.3	-44.2	177.4	0	0	0	0	0	111.9	V186 A189 T214 M215 A221 A222	V186-A218 HydrophobicContact CG2-CB 3.93Å; A189-A218 HydrophobicContact CB-CB 3.85Å; T214-A218 PolarHBondContact O-N 2.89Å; M215-A218 PolarHBondContact O-N 3.41Å; A218-A221 PolarHBondContact O-N 2.97Å; A218-A222 WeakPolarHBondContact O-CB 3.36Å; A218-A222 PolarHBondContact O-N 2.95Å
219	L	98.7	Very high	98.5	Very high	10 Å²	10	61.9 Å²	61.9	5%	0.052	32%	0.323	C	S	.	.	H	α-helix	trans	-62.4	-44.2	176.9	-69.1	170.7	0	0	0	112.3	W154 A189 L192 M215 Q217 A222 N223 A224 A226 I228	W154-L219 HydrophobicContact CH2-CD1 3.97Å; W154-L219 HydrophobicContact CH2-CD2 4.5Å; W154-L219 HydrophobicContact CZ3-CD1 4.31Å; W154-L219 HydrophobicContact CZ3-CD2 4.01Å; A189-L219 HydrophobicContact CB-CD2 4.22Å; L192-L219 HydrophobicContact CD1-CD2 3.59Å; M215-L219 HydrophobicContact CE-CD1 4.08Å; M215-L219 HydrophobicContact CE-CD2 3.72Å; M215-L219 HydrophobicContact CE-CG 3.85Å; M215-L219 HydrophobicContact CG-CD1 3.96Å; M215-L219 HydrophobicContact CG-CG 4.27Å; M215-L219 WeakPolarHBondContact O-CB 3.49Å; M215-L219 VanDerWaalsContact O-CG 3.28Å; M215-L219 WeakPolarHBondContact O-CG 3.38Å; M215-L219 PolarHBondContact O-N 2.96Å; Q217-L219 PolarHBondContact O-N 3.33Å; L219-A222 PolarHBondContact O-N 3.15Å; L219-N223 PolarHBondContact O-N 2.98Å; L219-A224 HydrophobicContact CD2-CB 3.83Å; L219-A224 PolarHBondContact O-N 3.32Å; L219-A226 HydrophobicContact CD1-CB 3.76Å; L219-A226 HydrophobicContact CD2-CB 3.67Å; L219-A226 HydrophobicContact CG-CB 4.22Å; L219-I228 HydrophobicContact CD1-CD1 3.86Å; L219-I228 HydrophobicContact CD1-CG1 4.25Å
220	R	98.4	Very high	98.5	Very high	147 Å²	147	59.8 Å²	59.8	56%	0.555	32%	0.316	S	S	*	.	H	α-helix	trans	-63	-45.1	175.3	-74.4	-171.7	-58.5	-102.6	4.2	111.6	E213 R216 Q217 A222 N223	E213-R220 IonicContact OE1-CZ 3.12Å; E213-R220 IonicContact OE1-NH1 2.75Å; E213-R220 PolarHBondContact OE1-NH1 3.02Å; E213-R220 IonicContact OE1-NH2 3.12Å; E213-R220 PolarHBondContact OE1-NH2 3.06Å; R216-R220 WeakPolarHBondContact O-CB 3.34Å; R216-R220 VanDerWaalsContact O-CG 3.31Å; R216-R220 WeakPolarHBondContact O-CG 3.1Å; R216-R220 PolarHBondContact O-N 3.19Å; Q217-R220 PolarHBondContact O-N 3.47Å; R220-A222 VanDerWaalsContact C-N 3.28Å; R220-A222 PolarHBondContact O-N 2.82Å; R220-N223 PolarHBondContact O-N 3.19Å
221	A	98.5	Very high	98.5	Very high	91 Å²	91	53.3 Å²	53.3	75%	0.752	29%	0.285	S	S	*	.	H	α-helix	trans	-62.9	-35.3	179.3	0	0	0	0	0	112.4	Q217 A218 N223	Q217-A221 WeakPolarHBondContact O-CB 3.28Å; Q217-A221 PolarHBondContact O-N 3.48Å; A218-A221 PolarHBondContact O-N 2.97Å; A221-N223 VanDerWaalsContact C-N 3.28Å; A221-N223 PolarHBondContact O-N 2.64Å
222	A	98.2	Very high	98.5	Very high	32 Å²	32	56.5 Å²	56.5	26%	0.264	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-6.7	175.4	0	0	0	0	0	114	A189 T190 A218 L219 R220 A224	A189-A222 HydrophobicContact CB-CB 4.01Å; A189-A222 WeakPolarHBondContact O-CB 3.38Å; T190-A222 HydrophobicContact CG2-CB 3.98Å; A218-A222 WeakPolarHBondContact O-CB 3.36Å; A218-A222 PolarHBondContact O-N 2.95Å; L219-A222 PolarHBondContact O-N 3.15Å; R220-A222 VanDerWaalsContact C-N 3.28Å; R220-A222 PolarHBondContact O-N 2.82Å; A222-A224 HydrophobicContact CB-CB 4.11Å; A222-A224 PolarHBondContact O-N 3.39Å
223	N	97.6	Very high	98.5	Very high	151 Å²	151	62 Å²	62	81%	0.807	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	35	-166.4	-167.6	48.3	0	0	0	112.1	L219 R220 A221	L219-N223 PolarHBondContact O-N 2.98Å; R220-N223 PolarHBondContact O-N 3.19Å; A221-N223 VanDerWaalsContact C-N 3.28Å; A221-N223 PolarHBondContact O-N 2.64Å
224	A	98.2	Very high	98.5	Very high	25 Å²	25	58.9 Å²	58.9	21%	0.207	32%	0.32	C	S	.	.			trans	-73.8	142.9	-175.9	0	0	0	0	0	110.6	L192 L219 A222 A226	L192-A224 HydrophobicContact CD1-CB 4.02Å; L219-A224 HydrophobicContact CD2-CB 3.83Å; L219-A224 PolarHBondContact O-N 3.32Å; A222-A224 HydrophobicContact CB-CB 4.11Å; A222-A224 PolarHBondContact O-N 3.39Å; A224-A226 VanDerWaalsContact C-N 3.3Å; A224-A226 PolarHBondContact O-N 3Å
225	K	97.9	Very high	98.5	Very high	116 Å²	116	57.4 Å²	57.4	50%	0.504	32%	0.316	S	S	.	.			trans	-79.5	80.5	175.2	-172.8	164.4	168.9	-173.4	0	109.9	P195 V196 Y265	P195-K225 WeakPolarHBondContact CA-O 3.49Å; P195-K225 HydrophobicContact CB-CD 4.31Å; P195-K225 HydrophobicContact CB-CG 4.07Å; P195-K225 HydrophobicContact CG-CD 3.82Å; P195-K225 HydrophobicContact CG-CG 4.1Å; V196-K225 PolarHBondContact N-O 3.43Å; V196-K225 VanDerWaalsContact N-O 3.15Å; K225-Y265 VanDerWaalsContact CE-OH 3.29Å; K225-Y265 WeakPolarHBondContact CE-OH 3.43Å
226	A	98.7	Very high	98.5	Very high	29 Å²	29	60 Å²	60	24%	0.24	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	151.9	-179.7	0	0	0	0	0	112.4	W154 V196 L219 A224	W154-A226 HydrophobicContact CH2-CB 4.15Å; W154-A226 HydrophobicContact CZ3-CB 4.21Å; V196-A226 HydrophobicContact CB-CB 4.26Å; V196-A226 CarbonylContact O-C 3.55Å; V196-A226 WeakPolarHBondContact O-CA 3.45Å; V196-A226 WeakPolarHBondContact O-CB 3.34Å; L219-A226 HydrophobicContact CD1-CB 3.76Å; L219-A226 HydrophobicContact CD2-CB 3.67Å; L219-A226 HydrophobicContact CG-CB 4.22Å; A224-A226 VanDerWaalsContact C-N 3.3Å; A224-A226 PolarHBondContact O-N 3Å
227	E	98.5	Very high	98.4	Very high	90 Å²	90	56.8 Å²	56.8	42%	0.421	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	143.7	177.2	-174.6	170.9	178.8	0	0	109.7	V196 L197 G198 I229 W261	V196-E227 PolarHBondContact O-N 3.27Å; L197-E227 CarbonylContact C-O 3.2Å; L197-E227 WeakPolarHBondContact CA-O 3.5Å; L197-E227 HydrophobicContact CD1-CB 4.08Å; L197-E227 HydrophobicContact CD1-CG 4.26Å; G198-E227 PolarHBondContact N-O 3.22Å; E227-I229 HydrophobicContact CG-CD1 4.11Å; E227-I229 VanDerWaalsContact OE1-CD1 3.23Å; E227-I229 WeakPolarHBondContact OE1-CD1 3.48Å; E227-W261 HydrophobicContact CB-CH2 4.21Å; E227-W261 HydrophobicContact CB-CZ3 4.21Å
228	I	98.9	Very high	98.4	Very high	13 Å²	13	51.8 Å²	51.8	7%	0.067	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	114.9	173.4	-63.2	175.5	0	0	0	109.5	W154 G198 Y200 V212 M215 R216 L219 V230	W154-I228 HydrophobicContact CH2-CG1 4.47Å; W154-I228 HydrophobicContact CZ2-CD1 4.45Å; W154-I228 HydrophobicContact CZ2-CG1 4.34Å; G198-I228 WeakPolarHBondContact O-CA 3.27Å; Y200-I228 HydrophobicContact CD2-CG2 3.57Å; Y200-I228 HydrophobicContact CE2-CG2 3.95Å; V212-I228 HydrophobicContact CG1-CG2 3.73Å; M215-I228 HydrophobicContact CB-CD1 3.98Å; M215-I228 HydrophobicContact CG-CD1 3.65Å; R216-I228 HydrophobicContact CG-CB 4.42Å; R216-I228 HydrophobicContact CG-CD1 4.12Å; R216-I228 PolarHBondContact NH2-O 2.86Å; L219-I228 HydrophobicContact CD1-CD1 3.86Å; L219-I228 HydrophobicContact CD1-CG1 4.25Å; I228-V230 HydrophobicContact CG2-CG2 4.36Å
229	I	98.8	Very high	98.4	Very high	29 Å²	29	50.9 Å²	50.9	15%	0.149	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	133.3	172.4	-55.2	-59.6	0	0	0	109.1	L197 G198 L199 Y200 E227 Y231	L197-I229 HydrophobicContact CD1-CG1 3.97Å; G198-I229 PolarHBondContact O-N 3.31Å; L199-I229 HydrophobicContact CD2-CB 4.02Å; L199-I229 HydrophobicContact CD2-CG1 4.28Å; Y200-I229 PolarHBondContact N-O 3Å; E227-I229 HydrophobicContact CG-CD1 4.11Å; E227-I229 VanDerWaalsContact OE1-CD1 3.23Å; E227-I229 WeakPolarHBondContact OE1-CD1 3.48Å; I229-Y231 HydrophobicContact CG2-CE1 4.18Å; I229-Y231 HydrophobicContact CG2-CE2 4.05Å
230	V	98.9	Very high	98.4	Very high	35 Å²	35	50.4 Å²	50.4	21%	0.212	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	124.6	173.6	179.2	0	0	0	0	108.4	Y200 V212 I228 P232	Y200-V230 CarbonylContact O-C 3.28Å; Y200-V230 WeakPolarHBondContact O-CA 3.38Å; V212-V230 HydrophobicContact CG1-CG2 3.89Å; I228-V230 HydrophobicContact CG2-CG2 4.36Å; V230-P232 WeakPolarHBondContact O-CD 3.24Å
231	Y	98.8	Very high	98.4	Very high	17 Å²	17	43.5 Å²	43.5	7%	0.067	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	106.5	175.7	-66.6	-74.3	0	0	0	109.8	L199 Y200 G202 I229 D233 A234 F238 S250 D253 G254 R257	L199-Y231 HydrophobicContact CB-CE2 4.31Å; L199-Y231 HydrophobicContact CD2-CE2 4.13Å; Y200-Y231 WeakPolarHBondContact O-CD2 3.28Å; Y200-Y231 PolarHBondContact O-N 2.9Å; G202-Y231 PolarHBondContact N-O 2.74Å; I229-Y231 HydrophobicContact CG2-CE1 4.18Å; I229-Y231 HydrophobicContact CG2-CE2 4.05Å; Y231-D233 VanDerWaalsContact C-N 3.26Å; Y231-D233 PolarHBondContact O-N 3.08Å; Y231-D233 VanDerWaalsContact O-N 3.15Å; Y231-A234 PolarHBondContact O-N 3.38Å; Y231-A234 VanDerWaalsContact O-N 3.15Å; Y231-F238 HydrophobicContact CD2-CE1 4.09Å; Y231-F238 AromaticContact CD2-CE2 3.9Å; Y231-F238 HydrophobicContact CD2-CE2 3.9Å; Y231-F238 AromaticContact CD2-CZ 3.53Å; Y231-F238 HydrophobicContact CD2-CZ 3.53Å; Y231-F238 AromaticContact CE2-CE2 4Å; Y231-F238 HydrophobicContact CE2-CE2 4Å; Y231-F238 AromaticContact CE2-CZ 3.72Å; Y231-F238 HydrophobicContact CE2-CZ 3.72Å; Y231-S250 WeakPolarHBondContact CB-OG 3.39Å; Y231-S250 WeakPolarHBondContact CD1-OG 3.25Å; Y231-D253 HydrophobicContact CE1-CB 3.99Å; Y231-D253 WeakPolarHBondContact CE1-OD2 3.47Å; Y231-D253 VanDerWaalsContact CZ-OD2 3.27Å; Y231-D253 PolarHBondContact OH-OD2 2.89Å; Y231-G254 WeakPolarHBondContact OH-CA 3.33Å; Y231-G254 PolarHBondContact OH-N 2.85Å; Y231-G254 VanDerWaalsContact OH-N 3.12Å; Y231-R257 WeakPolarHBondContact OH-CD 3.47Å
232	P	98.3	Very high	98.3	Very high	86 Å²	86	39.2 Å²	39.2	56%	0.558	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-35.4	-166.5	21.8	-33.3	0	0	0	113.7	L203 V230	L203-P232 WeakPolarHBondContact CG-O 3.48Å; V230-P232 WeakPolarHBondContact O-CD 3.24Å
233	D	98.3	Very high	98.2	Very high	115 Å²	115	39.6 Å²	39.6	62%	0.615	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.8	1.3	-174.4	-51.6	-53.4	0	0	0	113.9	Y231	Y231-D233 VanDerWaalsContact C-N 3.26Å; Y231-D233 PolarHBondContact O-N 3.08Å; Y231-D233 VanDerWaalsContact O-N 3.15Å
234	A	98.6	Very high	98.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.21	C	C	.	.			trans	-99.5	140	-177.2	0	0	0	0	0	111.9	G201 G202 L203 Y231 F238 H247	G201-A234 CarbonylContact C-O 3.59Å; G201-A234 WeakPolarHBondContact CA-O 3.4Å; G202-A234 PolarHBondContact N-O 2.92Å; L203-A234 PolarHBondContact N-O 3.32Å; Y231-A234 PolarHBondContact O-N 3.38Å; Y231-A234 VanDerWaalsContact O-N 3.15Å; A234-F238 HydrophobicContact CB-CB 3.74Å; A234-F238 HydrophobicContact CB-CD1 4.06Å; A234-F238 HydrophobicContact CB-CG 3.88Å; A234-H247 HydrophobicContact CB-CB 4.25Å
235	G	98.4	Very high	98	Very high	22 Å²	22	38.4 Å²	38.4	23%	0.227	22%	0.216	C	C	.	.			trans	-89.9	-166.3	170.1	0	0	0	0	0	113.2	F238	G235-F238 WeakPolarHBondContact O-CD1 3.43Å
236	H	98.4	Very high	98	Very high	54 Å²	54	35.8 Å²	35.8	25%	0.25	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	151.3	169.9	-165.1	66	0	0	0	111.4	C147 Y170 D204 S206 F238 S245	C147-H236 PolarHBondContact SG-NE2 3.32Å; Y170-H236 AromaticContact CD2-CE1 3.69Å; Y170-H236 PolarHBondContact O-CE1 3.24Å; Y170-H236 VanDerWaalsContact O-CE1 3.26Å; D204-H236 HydrophobicContact CB-CB 4.42Å; D204-H236 WeakPolarHBondContact OD1-CB 3.47Å; D204-H236 IonicContact OD1-CG 3.45Å; D204-H236 IonicContact OD1-ND1 2.64Å; D204-H236 WeakPolarHBondContact OD2-CA 3.32Å; D204-H236 WeakPolarHBondContact OD2-CB 3.14Å; D204-H236 IonicContact OD2-CE1 3.29Å; D204-H236 IonicContact OD2-CG 2.7Å; D204-H236 IonicContact OD2-ND1 3.04Å; D204-H236 PolarHBondContact OD2-ND1 3.06Å; S206-H236 PolarHBondContact OG-ND1 3.49Å; H236-F238 PolarHBondContact O-N 3.5Å; H236-S245 VanDerWaalsContact O-CB 3.28Å; H236-S245 WeakPolarHBondContact O-CB 3.35Å; H236-S245 PolarHBondContact O-OG 2.84Å
237	A	98	Very high	98	Very high	4 Å²	4	37.3 Å²	37.3	3%	0.033	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	36.6	176.7	0	0	0	0	0	113.8	Y170 N239 A240 S245	Y170-A237 HydrophobicContact CE2-CB 4.21Å; A237-N239 PolarHBondContact O-N 2.97Å; A237-A240 HydrophobicContact CB-CB 4.04Å; A237-A240 WeakPolarHBondContact O-CB 3.43Å; A237-A240 PolarHBondContact O-N 3.17Å; A237-A240 VanDerWaalsContact O-N 3.08Å; A237-S245 PolarHBondContact O-OG 3.13Å
238	F	98.5	Very high	98	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-17.7	-176.2	66.9	-99.7	0	0	0	114.2	W169 Y170 L199 Y231 A234 G235 H236 Y246 H247	W169-F238 AromaticContact CE3-CE2 3.91Å; W169-F238 HydrophobicContact CE3-CE2 3.91Å; W169-F238 AromaticContact CE3-CZ 3.83Å; W169-F238 HydrophobicContact CE3-CZ 3.83Å; W169-F238 AromaticContact CZ3-CE2 3.64Å; W169-F238 HydrophobicContact CZ3-CE2 3.64Å; W169-F238 HydrophobicContact CZ3-CZ 4Å; Y170-F238 AromaticContact CD1-CD1 3.67Å; Y170-F238 HydrophobicContact CD1-CD1 3.67Å; Y170-F238 AromaticContact CD1-CE1 3.52Å; Y170-F238 HydrophobicContact CD1-CE1 3.52Å; Y170-F238 HydrophobicContact CD1-CG 4.44Å; Y170-F238 HydrophobicContact CD1-CZ 4.17Å; Y170-F238 HydrophobicContact CE1-CD1 4.16Å; Y170-F238 HydrophobicContact CE1-CE1 4.19Å; L199-F238 HydrophobicContact CB-CZ 4.19Å; Y231-F238 HydrophobicContact CD2-CE1 4.09Å; Y231-F238 AromaticContact CD2-CE2 3.9Å; Y231-F238 HydrophobicContact CD2-CE2 3.9Å; Y231-F238 AromaticContact CD2-CZ 3.53Å; Y231-F238 HydrophobicContact CD2-CZ 3.53Å; Y231-F238 AromaticContact CE2-CE2 4Å; Y231-F238 HydrophobicContact CE2-CE2 4Å; Y231-F238 AromaticContact CE2-CZ 3.72Å; Y231-F238 HydrophobicContact CE2-CZ 3.72Å; A234-F238 HydrophobicContact CB-CB 3.74Å; A234-F238 HydrophobicContact CB-CD1 4.06Å; A234-F238 HydrophobicContact CB-CG 3.88Å; G235-F238 WeakPolarHBondContact O-CD1 3.43Å; H236-F238 PolarHBondContact O-N 3.5Å; F238-Y246 VanDerWaalsContact O-CD2 3.24Å; F238-Y246 WeakPolarHBondContact O-CD2 3.36Å; F238-H247 HydrophobicContact CB-CB 4.07Å; F238-H247 PolarHBondContact O-N 2.6Å
239	N	98.5	Very high	98	Very high	3 Å²	3	38 Å²	38	2%	0.016	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-16.6	174	-172.9	73.7	0	0	0	113.3	H71 F146 W169 Y170 A237 D241 A251	H71-N239 PolarHBondContact CE1-O 3.43Å; F146-N239 HydrophobicContact CE1-CB 4.48Å; F146-N239 WeakPolarHBondContact CE1-ND2 3.43Å; W169-N239 HydrophobicContact CE3-CB 3.81Å; W169-N239 HydrophobicContact CH2-CB 4.41Å; W169-N239 HydrophobicContact CZ3-CB 3.71Å; Y170-N239 HydrophobicContact CE1-CB 3.94Å; A237-N239 PolarHBondContact O-N 2.97Å; N239-D241 PolarHBondContact O-N 3.22Å; N239-A251 HydrophobicContact CB-CB 4.47Å
240	A	98	Very high	98	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.223	C	C	.	.			trans	-73.9	85.2	-175.8	0	0	0	0	0	110.9	A237 Y242 R243 Y246	A237-A240 HydrophobicContact CB-CB 4.04Å; A237-A240 WeakPolarHBondContact O-CB 3.43Å; A237-A240 PolarHBondContact O-N 3.17Å; A237-A240 VanDerWaalsContact O-N 3.08Å; A240-Y242 HydrophobicContact CB-CD1 3.89Å; A240-Y242 HydrophobicContact CB-CE1 3.47Å; A240-Y242 VanDerWaalsContact CB-CE1 3.47Å; A240-Y242 PolarHBondContact O-N 2.6Å; A240-R243 HydrophobicContact CB-CB 4.2Å; A240-R243 HydrophobicContact CB-CG 3.95Å; A240-R243 WeakPolarHBondContact O-CB 3.5Å; A240-R243 PolarHBondContact O-N 2.73Å; A240-Y246 WeakPolarHBondContact O-CB 3.43Å
241	D	97.8	Very high	97.9	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.011	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-15	-178.3	55.2	73.2	0	0	0	114.7	T19 I20 V21 H71 R78 N239 R243 Y246	T19-D241 CarbonylContact C-O 3.53Å; T19-D241 WeakPolarHBondContact CB-O 3.23Å; T19-D241 PolarHBondContact OG1-O 3.23Å; I20-D241 WeakPolarHBondContact CA-OD1 3.49Å; I20-D241 PolarHBondContact N-O 3.25Å; V21-D241 HydrophobicContact CG2-CB 4.14Å; V21-D241 PolarHBondContact N-OD1 3.33Å; H71-D241 IonicContact CE1-OD2 3.91Å; H71-D241 PolarHBondContact CE1-OD2 2.85Å; H71-D241 IonicContact ND1-OD2 2.79Å; H71-D241 PolarHBondContact ND1-OD2 3.12Å; R78-D241 IonicContact CZ-OD2 2.69Å; R78-D241 IonicContact NH1-OD2 3.39Å; R78-D241 PolarHBondContact NH1-OD2 2.95Å; R78-D241 IonicContact NH2-OD1 3.49Å; R78-D241 IonicContact NH2-OD2 3.66Å; R78-D241 PolarHBondContact NH2-OD2 3.43Å; N239-D241 PolarHBondContact O-N 3.22Å; D241-R243 VanDerWaalsContact C-N 3.34Å; D241-Y246 VanDerWaalsContact CA-CD2 3.46Å; D241-Y246 HydrophobicContact CB-CD1 4.36Å; D241-Y246 HydrophobicContact CB-CD2 3.91Å; D241-Y246 HydrophobicContact CB-CE1 4.28Å; D241-Y246 HydrophobicContact CB-CE2 3.82Å; D241-Y246 HydrophobicContact CB-CG 4.18Å
242	Y	96.9	Very high	97.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-3.5	172.2	73.5	-85	0	0	0	114.8	F9 A13 L16 A17 E64 F66 H69 H71 A240	F9-Y242 AromaticContact CD1-CD2 3.91Å; F9-Y242 HydrophobicContact CD1-CD2 3.91Å; F9-Y242 HydrophobicContact CD1-CE2 4.48Å; F9-Y242 HydrophobicContact CD1-CG 4.03Å; F9-Y242 AromaticContact CE1-CD1 3.95Å; F9-Y242 HydrophobicContact CE1-CD1 3.95Å; F9-Y242 AromaticContact CE1-CD2 3.83Å; F9-Y242 HydrophobicContact CE1-CD2 3.83Å; F9-Y242 AromaticContact CE1-CG 3.44Å; F9-Y242 HydrophobicContact CE1-CG 3.44Å; F9-Y242 VanDerWaalsContact CE1-CG 3.44Å; F9-Y242 HydrophobicContact CZ-CG 4.3Å; A13-Y242 HydrophobicContact CB-CD2 4.47Å; A13-Y242 HydrophobicContact CB-CE2 3.92Å; L16-Y242 CarbonylContact C-O 3.21Å; L16-Y242 WeakPolarHBondContact CA-O 3.3Å; L16-Y242 HydrophobicContact CD2-CD2 3.92Å; A17-Y242 PolarHBondContact N-O 3.03Å; E64-Y242 VanDerWaalsContact CD-OH 3.28Å; E64-Y242 WeakPolarHBondContact OE1-CE1 3.33Å; E64-Y242 PolarHBondContact OE1-OH 2.72Å; E64-Y242 PolarHBondContact OE2-OH 2.94Å; F66-Y242 WeakPolarHBondContact CD2-OH 3.36Å; H69-Y242 AromaticContact CE1-CE1 3.69Å; H69-Y242 AromaticContact CE1-CE2 3.99Å; H69-Y242 AromaticContact CE1-CZ 3.6Å; H69-Y242 AromaticContact NE2-CZ 3.8Å; H71-Y242 HydrophobicContact CB-CD1 3.44Å; H71-Y242 VanDerWaalsContact CB-CD1 3.44Å; H71-Y242 HydrophobicContact CB-CE1 3.47Å; H71-Y242 VanDerWaalsContact CB-CE1 3.47Å; H71-Y242 HydrophobicContact CB-CG 4.43Å; H71-Y242 AromaticContact CD2-CE1 3.58Å; H71-Y242 AromaticContact CG-CD1 3.46Å; H71-Y242 VanDerWaalsContact CG-CD1 3.46Å; H71-Y242 AromaticContact CG-CE1 3.44Å; H71-Y242 VanDerWaalsContact CG-CE1 3.44Å; H71-Y242 AromaticContact ND1-CD1 3.77Å; A240-Y242 HydrophobicContact CB-CD1 3.89Å; A240-Y242 HydrophobicContact CB-CE1 3.47Å; A240-Y242 VanDerWaalsContact CB-CE1 3.47Å; A240-Y242 PolarHBondContact O-N 2.6Å
243	R	95.6	Very high	98	Very high	41 Å²	41	40.7 Å²	40.7	16%	0.155	23%	0.232	C	C	.	.	S	Bend	trans	-114.1	151.4	-176.6	-66.4	-174.5	165.9	-83.2	-21.3	112.4	A240 D241 S245 Y246	A240-R243 HydrophobicContact CB-CB 4.2Å; A240-R243 HydrophobicContact CB-CG 3.95Å; A240-R243 WeakPolarHBondContact O-CB 3.5Å; A240-R243 PolarHBondContact O-N 2.73Å; D241-R243 VanDerWaalsContact C-N 3.34Å; R243-S245 WeakPolarHBondContact CB-OG 3.44Å; R243-S245 PolarHBondContact O-N 3.37Å; R243-S245 VanDerWaalsContact O-N 3.11Å; R243-Y246 VanDerWaalsContact O-CB 3.25Å; R243-Y246 WeakPolarHBondContact O-CB 3.5Å; R243-Y246 PolarHBondContact O-N 2.82Å
244	P	95.4	Very high	98	Very high	106 Å²	106	35.2 Å²	35.2	69%	0.688	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-20.8	169	-25.2	34.9	0	0	0	114.3	Y246	P244-Y246 PolarHBondContact O-N 2.9Å
245	S	96.2	Very high	98	Very high	45 Å²	45	36.3 Å²	36.3	32%	0.315	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-7.5	176	58.1	0	0	0	0	113.9	H236 A237 R243 H247	H236-S245 VanDerWaalsContact O-CB 3.28Å; H236-S245 WeakPolarHBondContact O-CB 3.35Å; H236-S245 PolarHBondContact O-OG 2.84Å; A237-S245 PolarHBondContact O-OG 3.13Å; R243-S245 WeakPolarHBondContact CB-OG 3.44Å; R243-S245 PolarHBondContact O-N 3.37Å; R243-S245 VanDerWaalsContact O-N 3.11Å; S245-H247 PolarHBondContact O-N 2.86Å
246	Y	98.2	Very high	98	Very high	60 Å²	60	40.3 Å²	40.3	24%	0.235	22%	0.219	C	C	.	.			trans	-55	123.5	178.6	-179	-124.9	0	0	0	111.1	T19 F238 A240 D241 R243 P244 A248 A251	T19-Y246 HydrophobicContact CG2-CD1 4.21Å; F238-Y246 VanDerWaalsContact O-CD2 3.24Å; F238-Y246 WeakPolarHBondContact O-CD2 3.36Å; A240-Y246 WeakPolarHBondContact O-CB 3.43Å; D241-Y246 VanDerWaalsContact CA-CD2 3.46Å; D241-Y246 HydrophobicContact CB-CD1 4.36Å; D241-Y246 HydrophobicContact CB-CD2 3.91Å; D241-Y246 HydrophobicContact CB-CE1 4.28Å; D241-Y246 HydrophobicContact CB-CE2 3.82Å; D241-Y246 HydrophobicContact CB-CG 4.18Å; R243-Y246 VanDerWaalsContact O-CB 3.25Å; R243-Y246 WeakPolarHBondContact O-CB 3.5Å; R243-Y246 PolarHBondContact O-N 2.82Å; P244-Y246 PolarHBondContact O-N 2.9Å; Y246-A248 HydrophobicContact CD1-CB 4.34Å; Y246-A248 HydrophobicContact CE1-CB 3.58Å; Y246-A251 HydrophobicContact CD2-CB 4.18Å; Y246-A251 HydrophobicContact CE2-CB 3.4Å; Y246-A251 VanDerWaalsContact CE2-CB 3.4Å
247	H	98.5	Very high	98	Very high	61 Å²	61	42.3 Å²	42.3	28%	0.282	23%	0.225	S	C	.	.			trans	-117.3	92.9	174.4	-173	-116.8	0	0	0	109	A234 F238 S245 A249 S250 A251	A234-H247 HydrophobicContact CB-CB 4.25Å; F238-H247 HydrophobicContact CB-CB 4.07Å; F238-H247 PolarHBondContact O-N 2.6Å; S245-H247 PolarHBondContact O-N 2.86Å; H247-A249 VanDerWaalsContact C-N 3.27Å; H247-A249 PolarHBondContact O-N 3.31Å; H247-A249 VanDerWaalsContact O-N 3.14Å; H247-S250 PolarHBondContact CE1-OG 2.95Å; H247-S250 VanDerWaalsContact ND1-CB 3.33Å; H247-S250 WeakPolarHBondContact ND1-CB 3.46Å; H247-S250 PolarHBondContact ND1-N 3.39Å; H247-S250 PolarHBondContact ND1-OG 3.04Å; H247-S250 PolarHBondContact O-N 3.24Å; H247-S250 VanDerWaalsContact O-N 3.08Å; H247-A251 WeakPolarHBondContact O-CB 3.27Å; H247-A251 PolarHBondContact O-N 3.17Å
248	A	98.3	Very high	98.1	Very high	50 Å²	50	42.1 Å²	42.1	41%	0.413	22%	0.223	S	C	.	.	H	α-helix	trans	-52.6	-40.2	-169.3	0	0	0	0	0	114.1	Y246 K252	Y246-A248 HydrophobicContact CD1-CB 4.34Å; Y246-A248 HydrophobicContact CE1-CB 3.58Å; A248-K252 VanDerWaalsContact O-CB 3.27Å; A248-K252 WeakPolarHBondContact O-CB 3.31Å; A248-K252 PolarHBondContact O-N 3.32Å
249	A	98.7	Very high	98.1	Very high	67 Å²	67	43 Å²	43	55%	0.554	23%	0.227	S	C	*	.	H	α-helix	trans	-63.9	-48.3	179.2	0	0	0	0	0	111.9	H247 K252 D253	H247-A249 VanDerWaalsContact C-N 3.27Å; H247-A249 PolarHBondContact O-N 3.31Å; H247-A249 VanDerWaalsContact O-N 3.14Å; A249-K252 PolarHBondContact O-N 2.94Å; A249-D253 PolarHBondContact O-N 3.39Å
250	S	98.8	Very high	98.1	Very high	8 Å²	8	47.5 Å²	47.5	6%	0.056	25%	0.249	C	C	.	.	H	α-helix	trans	-70.6	-37.5	178.2	-63	0	0	0	0	112.8	Y231 H247 K252 D253 G254	Y231-S250 WeakPolarHBondContact CB-OG 3.39Å; Y231-S250 WeakPolarHBondContact CD1-OG 3.25Å; H247-S250 PolarHBondContact CE1-OG 2.95Å; H247-S250 VanDerWaalsContact ND1-CB 3.33Å; H247-S250 WeakPolarHBondContact ND1-CB 3.46Å; H247-S250 PolarHBondContact ND1-N 3.39Å; H247-S250 PolarHBondContact ND1-OG 3.04Å; H247-S250 PolarHBondContact O-N 3.24Å; H247-S250 VanDerWaalsContact O-N 3.08Å; S250-K252 VanDerWaalsContact C-N 3.35Å; S250-D253 PolarHBondContact O-N 3.31Å; S250-G254 PolarHBondContact O-N 2.89Å
251	A	98.8	Very high	98.1	Very high	3 Å²	3	48.3 Å²	48.3	3%	0.025	25%	0.252	C	S	.	.	H	α-helix	trans	-60.5	-46.1	175.2	0	0	0	0	0	111.1	N239 Y246 H247 W255	N239-A251 HydrophobicContact CB-CB 4.47Å; Y246-A251 HydrophobicContact CD2-CB 4.18Å; Y246-A251 HydrophobicContact CE2-CB 3.4Å; Y246-A251 VanDerWaalsContact CE2-CB 3.4Å; H247-A251 WeakPolarHBondContact O-CB 3.27Å; H247-A251 PolarHBondContact O-N 3.17Å; A251-W255 WeakPolarHBondContact O-CB 3.47Å; A251-W255 PolarHBondContact O-N 3.42Å
252	K	98.6	Very high	98.2	Very high	152 Å²	152	48.4 Å²	48.4	66%	0.661	25%	0.252	S	S	*	.	H	α-helix	trans	-63.7	-47.9	178	-176.4	178.3	178.5	-179.9	0	112.1	A248 A249 S250 W255 Q256	A248-K252 VanDerWaalsContact O-CB 3.27Å; A248-K252 WeakPolarHBondContact O-CB 3.31Å; A248-K252 PolarHBondContact O-N 3.32Å; A249-K252 PolarHBondContact O-N 2.94Å; S250-K252 VanDerWaalsContact C-N 3.35Å; K252-W255 PolarHBondContact O-N 3.11Å; K252-Q256 WeakPolarHBondContact O-CG 3.28Å; K252-Q256 PolarHBondContact O-N 2.97Å; K252-Q256 VanDerWaalsContact O-N 3.13Å
253	D	98.9	Very high	98.2	Very high	62 Å²	62	55.9 Å²	55.9	33%	0.332	28%	0.284	S	S	.	.	H	α-helix	trans	-63.2	-46	177.9	179.5	90.5	0	0	0	111.3	Y231 A249 S250 W255 Q256 R257	Y231-D253 HydrophobicContact CE1-CB 3.99Å; Y231-D253 WeakPolarHBondContact CE1-OD2 3.47Å; Y231-D253 VanDerWaalsContact CZ-OD2 3.27Å; Y231-D253 PolarHBondContact OH-OD2 2.89Å; A249-D253 PolarHBondContact O-N 3.39Å; S250-D253 PolarHBondContact O-N 3.31Å; D253-W255 VanDerWaalsContact C-N 3.28Å; D253-W255 PolarHBondContact O-N 3.02Å; D253-Q256 PolarHBondContact O-N 2.88Å; D253-Q256 VanDerWaalsContact O-N 3.17Å; D253-R257 WeakPolarHBondContact O-CG 3.11Å; D253-R257 PolarHBondContact O-N 3.08Å; D253-R257 IonicContact OD1-NE 3.38Å; D253-R257 IonicContact OD1-NH2 2.7Å; D253-R257 WeakPolarHBondContact OD2-CD 3.45Å; D253-R257 IonicContact OD2-CZ 2.74Å; D253-R257 IonicContact OD2-NE 3.22Å; D253-R257 PolarHBondContact OD2-NE 3.41Å; D253-R257 IonicContact OD2-NH2 2.67Å
254	G	98.9	Very high	98.3	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-58.4	-39.6	176.8	0	0	0	0	0	112.7	L199 Y231 S250 R257 M258	L199-G254 WeakPolarHBondContact CD1-O 3.33Å; Y231-G254 WeakPolarHBondContact OH-CA 3.33Å; Y231-G254 PolarHBondContact OH-N 2.85Å; Y231-G254 VanDerWaalsContact OH-N 3.12Å; S250-G254 PolarHBondContact O-N 2.89Å; G254-R257 PolarHBondContact O-N 3.47Å; G254-M258 WeakPolarHBondContact O-CB 3.45Å; G254-M258 PolarHBondContact O-N 3.4Å
255	W	98.9	Very high	98.4	Very high	23 Å²	23	56.8 Å²	56.8	9%	0.087	28%	0.279	C	S	.	.	H	α-helix	trans	-63.6	-45.9	177.2	-176.6	-92.8	0	0	0	111.1	I75 R78 L79 E82 W169 A251 K252 D253 R257 M258 L259	I75-W255 HydrophobicContact CD1-CZ3 3.81Å; I75-W255 HydrophobicContact CG2-CZ3 4.32Å; R78-W255 HydrophobicContact CB-CH2 3.43Å; R78-W255 VanDerWaalsContact CB-CH2 3.43Å; R78-W255 HydrophobicContact CB-CZ2 3.52Å; R78-W255 HydrophobicContact CB-CZ3 4.44Å; R78-W255 HydrophobicContact CG-CH2 4.42Å; L79-W255 HydrophobicContact CD2-CH2 4.1Å; L79-W255 HydrophobicContact CD2-CZ2 4.37Å; L79-W255 HydrophobicContact CG-CH2 3.89Å; L79-W255 HydrophobicContact CG-CZ2 4.47Å; E82-W255 HydrophobicContact CG-CZ2 4.45Å; W169-W255 HydrophobicContact CH2-CB 4.45Å; W169-W255 VanDerWaalsContact CH2-N 3.31Å; A251-W255 WeakPolarHBondContact O-CB 3.47Å; A251-W255 PolarHBondContact O-N 3.42Å; K252-W255 PolarHBondContact O-N 3.11Å; D253-W255 VanDerWaalsContact C-N 3.28Å; D253-W255 PolarHBondContact O-N 3.02Å; W255-R257 VanDerWaalsContact C-N 3.33Å; W255-R257 PolarHBondContact O-N 3.22Å; W255-M258 HydrophobicContact CD2-CE 3.85Å; W255-M258 HydrophobicContact CE3-CE 3.51Å; W255-M258 HydrophobicContact CH2-CE 3.73Å; W255-M258 HydrophobicContact CZ2-CE 4.03Å; W255-M258 HydrophobicContact CZ3-CE 3.45Å; W255-M258 VanDerWaalsContact CZ3-CE 3.45Å; W255-M258 WeakPolarHBondContact O-CB 3.35Å; W255-M258 PolarHBondContact O-N 2.93Å; W255-L259 WeakPolarHBondContact O-CG 3.47Å; W255-L259 PolarHBondContact O-N 3.06Å
256	Q	98.8	Very high	98.4	Very high	106 Å²	106	54.7 Å²	54.7	50%	0.495	27%	0.265	S	S	.	.	H	α-helix	trans	-63	-40.4	177.2	-66.8	-57.7	-46.4	0	0	111.9	K252 D253 M258 L259 E260	K252-Q256 WeakPolarHBondContact O-CG 3.28Å; K252-Q256 PolarHBondContact O-N 2.97Å; K252-Q256 VanDerWaalsContact O-N 3.13Å; D253-Q256 PolarHBondContact O-N 2.88Å; D253-Q256 VanDerWaalsContact O-N 3.17Å; Q256-M258 PolarHBondContact O-N 3.14Å; Q256-L259 PolarHBondContact O-N 2.91Å; Q256-E260 PolarHBondContact O-N 2.85Å
257	R	98.9	Very high	97.9	Very high	95 Å²	95	53.4 Å²	53.4	36%	0.358	27%	0.27	S	S	.	.	H	α-helix	trans	-64.2	-39.5	174.8	-68.2	-179.2	-175.2	-89.8	-9.2	112.5	L197 Y231 D253 G254 W255 E260 W261	L197-R257 HydrophobicContact CD2-CB 3.91Å; Y231-R257 WeakPolarHBondContact OH-CD 3.47Å; D253-R257 WeakPolarHBondContact O-CG 3.11Å; D253-R257 PolarHBondContact O-N 3.08Å; D253-R257 IonicContact OD1-NE 3.38Å; D253-R257 IonicContact OD1-NH2 2.7Å; D253-R257 WeakPolarHBondContact OD2-CD 3.45Å; D253-R257 IonicContact OD2-CZ 2.74Å; D253-R257 IonicContact OD2-NE 3.22Å; D253-R257 PolarHBondContact OD2-NE 3.41Å; D253-R257 IonicContact OD2-NH2 2.67Å; G254-R257 PolarHBondContact O-N 3.47Å; W255-R257 VanDerWaalsContact C-N 3.33Å; W255-R257 PolarHBondContact O-N 3.22Å; R257-E260 PolarHBondContact O-N 3.27Å; R257-W261 VanDerWaalsContact O-CB 3.27Å; R257-W261 WeakPolarHBondContact O-CB 3.35Å; R257-W261 PolarHBondContact O-N 3.48Å
258	M	98.9	Very high	97.2	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-59.1	-48.9	175.4	-179	-172.8	71.2	0	0	110.8	L79 T144 V167 W169 G254 W255 Q256 W261 F262	L79-M258 HydrophobicContact CD2-CE 3.71Å; T144-M258 HydrophobicContact CG2-SD 4.06Å; V167-M258 HydrophobicContact CB-CB 4.43Å; V167-M258 HydrophobicContact CB-CG 3.82Å; V167-M258 HydrophobicContact CG1-CB 3.92Å; V167-M258 HydrophobicContact CG1-CG 3.8Å; V167-M258 HydrophobicContact CG2-CB 4.28Å; V167-M258 HydrophobicContact CG2-CG 3.78Å; W169-M258 HydrophobicContact CZ2-CB 4.26Å; W169-M258 HydrophobicContact CZ2-SD 4.16Å; G254-M258 WeakPolarHBondContact O-CB 3.45Å; G254-M258 PolarHBondContact O-N 3.4Å; W255-M258 HydrophobicContact CD2-CE 3.85Å; W255-M258 HydrophobicContact CE3-CE 3.51Å; W255-M258 HydrophobicContact CH2-CE 3.73Å; W255-M258 HydrophobicContact CZ2-CE 4.03Å; W255-M258 HydrophobicContact CZ3-CE 3.45Å; W255-M258 VanDerWaalsContact CZ3-CE 3.45Å; W255-M258 WeakPolarHBondContact O-CB 3.35Å; W255-M258 PolarHBondContact O-N 2.93Å; Q256-M258 PolarHBondContact O-N 3.14Å; M258-W261 WeakPolarHBondContact O-CB 3.46Å; M258-W261 PolarHBondContact O-N 2.77Å; M258-F262 HydrophobicContact CE-CE2 4.48Å; M258-F262 HydrophobicContact CG-CD2 4.12Å; M258-F262 HydrophobicContact CG-CE1 4.46Å; M258-F262 HydrophobicContact CG-CE2 3.71Å; M258-F262 HydrophobicContact CG-CZ 3.91Å; M258-F262 WeakPolarHBondContact O-CB 3.39Å; M258-F262 WeakPolarHBondContact O-CG 3.44Å; M258-F262 PolarHBondContact O-N 3.12Å; M258-F262 HydrophobicContact SD-CE2 4.04Å; M258-F262 HydrophobicContact SD-CZ 4.36Å
259	L	98.8	Very high	96.1	Very high	18 Å²	18	63.2 Å²	63.2	9%	0.094	30%	0.303	C	S	.	.	H	α-helix	trans	-63.5	-42.8	178.9	-65.3	179.4	0	0	0	112.2	L79 E82 Y84 W255 Q256 F262 K263	L79-L259 HydrophobicContact CD2-CD2 4.4Å; E82-L259 HydrophobicContact CB-CD2 4.1Å; E82-L259 VanDerWaalsContact CD-CD1 3.48Å; E82-L259 HydrophobicContact CG-CD1 3.97Å; E82-L259 HydrophobicContact CG-CD2 3.88Å; E82-L259 WeakPolarHBondContact OE1-CD1 3.27Å; Y84-L259 HydrophobicContact CE2-CD2 4.04Å; W255-L259 WeakPolarHBondContact O-CG 3.47Å; W255-L259 PolarHBondContact O-N 3.06Å; Q256-L259 PolarHBondContact O-N 2.91Å; L259-F262 PolarHBondContact O-N 2.75Å; L259-K263 VanDerWaalsContact O-CB 3.31Å; L259-K263 WeakPolarHBondContact O-CB 3.06Å; L259-K263 PolarHBondContact O-N 2.81Å
260	E	98.6	Very high	94.6	Very high	99 Å²	99	64.9 Å²	64.9	46%	0.463	31%	0.31	S	S	.	.	H	α-helix	trans	-65.4	-39.5	176.5	-172.4	57	-139.9	0	0	111.5	Q256 R257 F262 K263 Q264	Q256-E260 PolarHBondContact O-N 2.85Å; R257-E260 PolarHBondContact O-N 3.27Å; E260-F262 PolarHBondContact O-N 3.43Å; E260-K263 PolarHBondContact O-N 3.31Å; E260-K263 IonicContact OE2-NZ 3.83Å; E260-Q264 VanDerWaalsContact O-CB 3.26Å; E260-Q264 WeakPolarHBondContact O-CB 3.46Å; E260-Q264 PolarHBondContact O-N 3.09Å
261	W	98.7	Very high	92.5	Very high	16 Å²	16	75.7 Å²	75.7	6%	0.061	37%	0.366	C	S	.	.	H	α-helix	trans	-60.8	-45.1	174.7	-166.6	-98.3	0	0	0	112	A166 V167 P195 V196 L197 E227 R257 M258 Q264 Y265	A166-W261 PolarHBondContact O-NE1 3.23Å; V167-W261 HydrophobicContact CG2-CB 4.1Å; V167-W261 HydrophobicContact CG2-CG 4.06Å; P195-W261 HydrophobicContact CB-CH2 4.42Å; P195-W261 HydrophobicContact CB-CZ2 3.45Å; P195-W261 VanDerWaalsContact CB-CZ2 3.45Å; P195-W261 PolarHBondContact O-NE1 3.22Å; V196-W261 VanDerWaalsContact C-CZ2 3.4Å; V196-W261 WeakPolarHBondContact O-CZ2 3.49Å; L197-W261 HydrophobicContact CB-CD2 3.64Å; L197-W261 HydrophobicContact CB-CE3 3.92Å; L197-W261 HydrophobicContact CB-CG 3.94Å; L197-W261 HydrophobicContact CB-CH2 4.45Å; L197-W261 HydrophobicContact CB-CZ2 4.21Å; L197-W261 HydrophobicContact CB-CZ3 4.3Å; L197-W261 HydrophobicContact CD2-CB 4.1Å; L197-W261 HydrophobicContact CD2-CD2 4.37Å; L197-W261 HydrophobicContact CD2-CE3 4.32Å; L197-W261 HydrophobicContact CD2-CG 4.3Å; L197-W261 HydrophobicContact CG-CE3 4.5Å; E227-W261 HydrophobicContact CB-CH2 4.21Å; E227-W261 HydrophobicContact CB-CZ3 4.21Å; R257-W261 VanDerWaalsContact O-CB 3.27Å; R257-W261 WeakPolarHBondContact O-CB 3.35Å; R257-W261 PolarHBondContact O-N 3.48Å; M258-W261 WeakPolarHBondContact O-CB 3.46Å; M258-W261 PolarHBondContact O-N 2.77Å; W261-Q264 PolarHBondContact O-N 3.49Å; W261-Y265 AromaticContact CD2-CD2 3.65Å; W261-Y265 HydrophobicContact CD2-CD2 3.65Å; W261-Y265 AromaticContact CD2-CE2 3.73Å; W261-Y265 HydrophobicContact CD2-CE2 3.73Å; W261-Y265 AromaticContact CE2-CD2 3.55Å; W261-Y265 AromaticContact CE2-CE2 3.73Å; W261-Y265 HydrophobicContact CE3-CD2 4.11Å; W261-Y265 AromaticContact CE3-CE2 3.7Å; W261-Y265 HydrophobicContact CE3-CE2 3.7Å; W261-Y265 HydrophobicContact CG-CD2 4.05Å; W261-Y265 HydrophobicContact CH2-CD2 4.38Å; W261-Y265 AromaticContact CH2-CE2 3.72Å; W261-Y265 HydrophobicContact CH2-CE2 3.72Å; W261-Y265 AromaticContact CZ2-CD2 3.93Å; W261-Y265 HydrophobicContact CZ2-CD2 3.93Å; W261-Y265 AromaticContact CZ2-CE2 3.72Å; W261-Y265 HydrophobicContact CZ2-CE2 3.72Å; W261-Y265 HydrophobicContact CZ3-CD2 4.47Å; W261-Y265 AromaticContact CZ3-CE2 3.71Å; W261-Y265 HydrophobicContact CZ3-CE2 3.71Å; W261-Y265 AromaticContact NE1-CD2 3.86Å; W261-Y265 PolarHBondContact O-N 2.92Å
262	F	98.6	Very high	92.2	Very high	4 Å²	4	79.4 Å²	79.4	2%	0.018	38%	0.384	C	S	.	.	H	α-helix	trans	-65.3	-40	175.7	-73.1	-8.1	0	0	0	112.4	V59 L79 M142 A165 V167 M258 L259 E260 G266	V59-F262 HydrophobicContact CG1-CE2 3.78Å; V59-F262 HydrophobicContact CG1-CZ 4.06Å; V59-F262 HydrophobicContact CG2-CD2 4.09Å; V59-F262 HydrophobicContact CG2-CE2 3.84Å; L79-F262 HydrophobicContact CD2-CE2 4.43Å; M142-F262 HydrophobicContact CB-CD1 3.94Å; M142-F262 HydrophobicContact CB-CE1 3.74Å; M142-F262 HydrophobicContact CB-CE2 4.47Å; M142-F262 HydrophobicContact CB-CG 4.36Å; M142-F262 HydrophobicContact CB-CZ 4.02Å; M142-F262 HydrophobicContact CG-CD1 3.82Å; M142-F262 HydrophobicContact CG-CE1 4.13Å; M142-F262 HydrophobicContact CG-CG 4.17Å; M142-F262 HydrophobicContact SD-CB 3.58Å; M142-F262 VanDerWaalsContact SD-CB 3.58Å; M142-F262 HydrophobicContact SD-CD1 3.95Å; M142-F262 HydrophobicContact SD-CD2 4.22Å; M142-F262 HydrophobicContact SD-CG 3.67Å; A165-F262 HydrophobicContact CB-CD1 4.03Å; A165-F262 HydrophobicContact CB-CE1 4.44Å; V167-F262 HydrophobicContact CB-CE1 4.18Å; V167-F262 HydrophobicContact CB-CZ 4.33Å; V167-F262 HydrophobicContact CG2-CD1 3.99Å; V167-F262 HydrophobicContact CG2-CE1 3.48Å; V167-F262 VanDerWaalsContact CG2-CE1 3.48Å; V167-F262 HydrophobicContact CG2-CZ 4.03Å; M258-F262 HydrophobicContact CE-CE2 4.48Å; M258-F262 HydrophobicContact CG-CD2 4.12Å; M258-F262 HydrophobicContact CG-CE1 4.46Å; M258-F262 HydrophobicContact CG-CE2 3.71Å; M258-F262 HydrophobicContact CG-CZ 3.91Å; M258-F262 WeakPolarHBondContact O-CB 3.39Å; M258-F262 WeakPolarHBondContact O-CG 3.44Å; M258-F262 PolarHBondContact O-N 3.12Å; M258-F262 HydrophobicContact SD-CE2 4.04Å; M258-F262 HydrophobicContact SD-CZ 4.36Å; L259-F262 PolarHBondContact O-N 2.75Å; E260-F262 PolarHBondContact O-N 3.43Å; F262-G266 WeakPolarHBondContact O-CA 3.39Å; F262-G266 PolarHBondContact O-N 2.86Å
263	K	97.6	Very high	91.8	Very high	157 Å²	157	75.5 Å²	75.5	68%	0.683	37%	0.369	S	S	*	.	H	α-helix	trans	-64.5	-40.8	174.4	-177.6	-176.8	175.3	-170.1	0	111.9	L259 E260	L259-K263 VanDerWaalsContact O-CB 3.31Å; L259-K263 WeakPolarHBondContact O-CB 3.06Å; L259-K263 PolarHBondContact O-N 2.81Å; E260-K263 PolarHBondContact O-N 3.31Å; E260-K263 IonicContact OE2-NZ 3.83Å
264	Q	97.7	Very high	91.5	Very high	113 Å²	113	76.3 Å²	76.3	53%	0.528	37%	0.371	S	S	.	.	H	α-helix	trans	-71.5	-41.3	-177.9	-171.5	179.9	6.8	0	0	112.4	E260 W261	E260-Q264 VanDerWaalsContact O-CB 3.26Å; E260-Q264 WeakPolarHBondContact O-CB 3.46Å; E260-Q264 PolarHBondContact O-N 3.09Å; W261-Q264 PolarHBondContact O-N 3.49Å
265	Y	98.1	Very high	91	Very high	53 Å²	53	80.8 Å²	80.8	21%	0.208	39%	0.393	C	S	.	.	H	α-helix	trans	-117.3	-17.3	-169.2	-60.4	-53.3	0	0	0	115.3	K164 P195 K225 W261 G267	K164-Y265 WeakPolarHBondContact CB-O 3.37Å; P195-Y265 HydrophobicContact CB-CD1 4.39Å; P195-Y265 HydrophobicContact CB-CD2 3.71Å; P195-Y265 HydrophobicContact CB-CE2 4.06Å; P195-Y265 HydrophobicContact CB-CG 3.86Å; P195-Y265 HydrophobicContact CG-CD1 3.95Å; P195-Y265 HydrophobicContact CG-CD2 4.16Å; P195-Y265 HydrophobicContact CG-CE1 4.46Å; P195-Y265 HydrophobicContact CG-CG 3.78Å; K225-Y265 VanDerWaalsContact CE-OH 3.29Å; K225-Y265 WeakPolarHBondContact CE-OH 3.43Å; W261-Y265 AromaticContact CD2-CD2 3.65Å; W261-Y265 HydrophobicContact CD2-CD2 3.65Å; W261-Y265 AromaticContact CD2-CE2 3.73Å; W261-Y265 HydrophobicContact CD2-CE2 3.73Å; W261-Y265 AromaticContact CE2-CD2 3.55Å; W261-Y265 AromaticContact CE2-CE2 3.73Å; W261-Y265 HydrophobicContact CE3-CD2 4.11Å; W261-Y265 AromaticContact CE3-CE2 3.7Å; W261-Y265 HydrophobicContact CE3-CE2 3.7Å; W261-Y265 HydrophobicContact CG-CD2 4.05Å; W261-Y265 HydrophobicContact CH2-CD2 4.38Å; W261-Y265 AromaticContact CH2-CE2 3.72Å; W261-Y265 HydrophobicContact CH2-CE2 3.72Å; W261-Y265 AromaticContact CZ2-CD2 3.93Å; W261-Y265 HydrophobicContact CZ2-CD2 3.93Å; W261-Y265 AromaticContact CZ2-CE2 3.72Å; W261-Y265 HydrophobicContact CZ2-CE2 3.72Å; W261-Y265 HydrophobicContact CZ3-CD2 4.47Å; W261-Y265 AromaticContact CZ3-CE2 3.71Å; W261-Y265 HydrophobicContact CZ3-CE2 3.71Å; W261-Y265 AromaticContact NE1-CD2 3.86Å; W261-Y265 PolarHBondContact O-N 2.92Å; Y265-G267 PolarHBondContact O-N 3.17Å
266	G	96.4	Very high	90.5	Very high	2 Å²	2	84.4 Å²	84.4	2%	0.021	41%	0.412	C	S	.	.	S	Bend	trans	-68	16.5	-174.4	0	0	0	0	0	116.7	R140 M142 F262	R140-G266 WeakPolarHBondContact CA-O 3.43Å; R140-G266 WeakPolarHBondContact CB-O 3.37Å; R140-G266 WeakPolarHBondContact CG-O 3.43Å; M142-G266 VanDerWaalsContact SD-CA 3.55Å; F262-G266 WeakPolarHBondContact O-CA 3.39Å; F262-G266 PolarHBondContact O-N 2.86Å
267	G	87.5	Confident	90	Very high	33 Å²	33	82.9 Å²	82.9	34%	0.34	41%	0.406	S	S	.	.			trans	78.4	148.9	179.9	0	0	0	0	0	113.9	R140 Y265	R140-G267 PolarHBondContact NE-O 3.09Å; R140-G267 VanDerWaalsContact NE-O 3.14Å; Y265-G267 PolarHBondContact O-N 3.17Å
268	K	83.1	Confident	89.3	Confident	196 Å²	196	82.1 Å²	82.1	85%	0.852	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-88.9	147.7	175.1	-65.7	-177.7	178.9	-179.5	0	109.5	S270	K268-S270 PolarHBondContact O-N 3.15Å
269	K	75.9	Confident	88.6	Confident	120 Å²	120	88.4 Å²	88.4	52%	0.522	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-56.9	126	169.1	-168.1	176.8	-175.9	177.9	0	108	D53 L271	D53-K269 PolarHBondContact O-NZ 2.79Å; K269-L271 PolarHBondContact O-N 3.15Å
270	S	66.9	Low	87.8	Confident	102 Å²	102	94.3 Å²	94.3	71%	0.713	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-61.5	128	168	-172	0	0	0	0	107.7	K268	K268-S270 PolarHBondContact O-N 3.15Å
271	L	54	Low	86.8	Confident	236 Å²	236	93.8 Å²	93.8	100%	1.236	47%	0.471	S	S	*	.			trans	-66.7	0	167	-70.1	169.2	0	0	0	109.9	K269	K269-L271 PolarHBondContact O-N 3.15Å

Retrieved 271 of 271 residues in 503.9 ms (Link to these results)

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