A0A087YM68_POEFO Loading...

Peroxiredoxin-5

Thiol-specific peroxidase that catalyzes the reduction of hydrogen peroxide and organic hydroperoxides to water and alcohols, respectively. Plays a role in cell protection against oxidative stress by detoxifying peroxides and as sensor of hydrogen peroxide-mediated signaling events.

AlphaFold DB (A0A3B3U5T5), UniProt , Accession A0A087YM68, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 190 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	44.8	Very low	46.5	Very low	213 Å²	213	158 Å²	158	100%	1.049	85%	0.85	S	S	*	*				0	89.1	0	-163.5	162.7	177.9	0	0	107.3	F3	M1-F3 HydrophobicContact CE-CE2 4.46Å
2	F	39	Very low	46.6	Very low	209 Å²	209	154.4 Å²	154.4	92%	0.917	84%	0.841	S	S	*	*			trans	-129.4	115.1	179.4	-96.1	-86.9	0	0	0	107.7
3	F	39.1	Very low	47.6	Very low	181 Å²	181	160.8 Å²	160.8	79%	0.794	85%	0.845	S	S	*	*			trans	-74.7	125.4	-178.2	-81.5	-96.5	0	0	0	110	M1	M1-F3 HydrophobicContact CE-CE2 4.46Å
4	I	47.2	Very low	48.4	Very low	168 Å²	168	158.8 Å²	158.8	86%	0.862	84%	0.842	S	S	*	*			trans	-90.3	112.1	167.2	-62.4	176.6	0	0	0	107	G6	I4-G6 PolarHBondContact O-N 3.49Å
5	T	47.9	Very low	48.9	Very low	133 Å²	133	159 Å²	159	82%	0.816	84%	0.843	S	S	*	*			trans	-77.8	112.6	174.6	46.7	0	0	0	0	110.1
6	G	45	Very low	49.3	Very low	77 Å²	77	163.1 Å²	163.1	79%	0.794	84%	0.843	S	S	*	*			trans	-76.6	125.7	171.5	0	0	0	0	0	111.7	I4	I4-G6 PolarHBondContact O-N 3.49Å
7	S	47.6	Very low	49.4	Very low	115 Å²	115	160.5 Å²	160.5	80%	0.804	84%	0.841	S	S	*	*			trans	-87.2	119.6	173.4	-173.6	0	0	0	0	110
8	L	50.6	Low	50	Low	155 Å²	155	157.6 Å²	157.6	81%	0.812	83%	0.831	S	S	*	*			trans	-92.1	100.8	-178.6	-153.5	85.6	0	0	0	109.6	K10	L8-K10 PolarHBondContact O-N 2.92Å
9	L	47.4	Very low	50.4	Low	164 Å²	164	161.3 Å²	161.3	86%	0.859	83%	0.832	S	S	*	*			trans	-75.3	106.4	174.4	-82.6	150.9	0	0	0	110.3
10	K	48.3	Very low	50.9	Low	190 Å²	190	160.5 Å²	160.5	83%	0.826	83%	0.828	S	S	*	*			trans	-80.5	112.8	170.4	-76.6	-179.1	176.9	177.4	0	110	L8	L8-K10 PolarHBondContact O-N 2.92Å
11	T	55.3	Low	51.1	Low	133 Å²	133	161 Å²	161	82%	0.816	83%	0.832	S	S	*	*			trans	-77.5	131.2	167.6	24	0	0	0	0	110.6	R13	T11-R13 PolarHBondContact O-N 2.77Å
12	P	47.7	Very low	51.4	Low	115 Å²	115	159.2 Å²	159.2	75%	0.747	82%	0.82	S	S	*	*			trans	-80	119.7	175.3	30.5	-29.5	0	0	0	109.6	V14	P12-V14 PolarHBondContact O-N 3.07Å
13	R	59.5	Low	51.7	Low	237 Å²	237	155.2 Å²	155.2	89%	0.894	82%	0.817	S	S	*	*			trans	-71.9	109.3	166	-85.8	-177.1	173.3	-179.4	-1.7	108.7	T11 L15	T11-R13 PolarHBondContact O-N 2.77Å; R13-L15 PolarHBondContact O-N 3.17Å
14	V	57.8	Low	52.3	Low	133 Å²	133	151 Å²	151	81%	0.806	81%	0.81	S	S	*	*			trans	-72.6	103.9	168.2	178.9	0	0	0	0	108	P12 R16	P12-V14 PolarHBondContact O-N 3.07Å; V14-R16 PolarHBondContact O-N 3.38Å; V14-R16 VanDerWaalsContact O-N 3.17Å
15	L	56.3	Low	52.9	Low	162 Å²	162	148.7 Å²	148.7	85%	0.848	81%	0.806	S	S	*	*			trans	-71.5	104.4	167.4	-97.3	106.5	0	0	0	108.7	R13 C17	R13-L15 PolarHBondContact O-N 3.17Å; L15-C17 PolarHBondContact O-N 3.3Å; L15-C17 VanDerWaalsContact O-N 3.07Å
16	R	54.8	Low	53.1	Low	225 Å²	225	148 Å²	148	85%	0.849	80%	0.801	S	S	*	*			trans	-74.3	94.6	169.7	-163.6	176	-174.5	-173.6	1.2	108.2	V14 V18	V14-R16 PolarHBondContact O-N 3.38Å; V14-R16 VanDerWaalsContact O-N 3.17Å; R16-V18 PolarHBondContact O-N 3.39Å
17	C	52.3	Low	53.2	Low	118 Å²	118	150.8 Å²	150.8	80%	0.797	80%	0.803	S	S	*	*			trans	-67	101.1	169.5	-173.3	0	0	0	0	108.4	L15 R19	L15-C17 PolarHBondContact O-N 3.3Å; L15-C17 VanDerWaalsContact O-N 3.07Å; C17-R19 PolarHBondContact O-N 3.38Å
18	V	59.2	Low	53.3	Low	109 Å²	109	152 Å²	152	66%	0.661	79%	0.794	S	S	*	*			trans	-81.1	100.6	171.5	-177.2	0	0	0	0	106.8	R16 L20	R16-V18 PolarHBondContact O-N 3.39Å; V18-L20 PolarHBondContact O-N 3.43Å; V18-L20 VanDerWaalsContact O-N 3.07Å
19	R	58.8	Low	53.5	Low	228 Å²	228	149.9 Å²	149.9	86%	0.86	78%	0.781	S	S	*	*			trans	-63	107.6	165.7	-103.1	-179.1	174.7	-179.9	-1.4	107.6	C17 L21	C17-R19 PolarHBondContact O-N 3.38Å; R19-L21 PolarHBondContact O-N 3.2Å; R19-L21 VanDerWaalsContact O-N 3.17Å
20	L	59.7	Low	55.1	Low	144 Å²	144	144.7 Å²	144.7	75%	0.754	76%	0.757	S	S	*	*			trans	-63.4	113	164.7	-75	164.7	0	0	0	107.5	V18 H22	V18-L20 PolarHBondContact O-N 3.43Å; V18-L20 VanDerWaalsContact O-N 3.07Å; L20-H22 PolarHBondContact O-N 2.75Å
21	L	54.9	Low	57.2	Low	172 Å²	172	136.2 Å²	136.2	90%	0.901	72%	0.721	S	S	*	*			trans	-61.1	101.2	168.5	-72	166.3	0	0	0	107.3	R19 C23	R19-L21 PolarHBondContact O-N 3.2Å; R19-L21 VanDerWaalsContact O-N 3.17Å; L21-C23 PolarHBondContact O-N 2.91Å; L21-C23 VanDerWaalsContact O-N 3.11Å
22	H	50.9	Low	59.1	Low	175 Å²	175	134.1 Å²	134.1	81%	0.81	70%	0.701	S	S	*	*			trans	-68.3	104.7	164.5	-85.9	73.1	0	0	0	106.8	L20 S24	L20-H22 PolarHBondContact O-N 2.75Å; H22-S24 PolarHBondContact O-N 3.13Å; H22-S24 VanDerWaalsContact O-N 3.12Å
23	C	45.8	Very low	61.4	Low	125 Å²	125	132.9 Å²	132.9	85%	0.845	69%	0.691	S	S	*	*			trans	-74	98	165.8	-148.6	0	0	0	0	106.1	L21	L21-C23 PolarHBondContact O-N 2.91Å; L21-C23 VanDerWaalsContact O-N 3.11Å
24	S	52.3	Low	63.2	Low	93 Å²	93	124.2 Å²	124.2	65%	0.65	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-56.8	127.9	164.8	-63.1	0	0	0	0	106.9	H22 V26	H22-S24 PolarHBondContact O-N 3.13Å; H22-S24 VanDerWaalsContact O-N 3.12Å; S24-V26 PolarHBondContact O-N 2.78Å
25	P	58.7	Low	65.1	Low	119 Å²	119	120.5 Å²	120.5	77%	0.773	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-55.1	120.2	170.5	22.9	-30.4	0	0	0	106.4	T27	P25-T27 PolarHBondContact O-N 3.44Å
26	V	51.6	Low	67	Low	118 Å²	118	115.9 Å²	115.9	72%	0.715	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-50.1	118.5	171.8	173.8	0	0	0	0	105.6	S24 K28	S24-V26 PolarHBondContact O-N 2.78Å; V26-K28 HydrophobicContact CG1-CG 4.23Å; V26-K28 PolarHBondContact O-N 2.93Å
27	T	47.6	Very low	69.1	Low	137 Å²	137	105.5 Å²	105.5	84%	0.84	60%	0.595	S	S	*	*			trans	-61.6	84.5	166.1	29.5	0	0	0	0	106.6	P25	P25-T27 PolarHBondContact O-N 3.44Å
28	K	50.7	Low	71.2	Confident	139 Å²	139	101.4 Å²	101.4	60%	0.604	57%	0.567	S	S	*	*			trans	-66.5	134.8	166	-81.2	-177.1	173.1	-176.6	0	105.8	V26	V26-K28 HydrophobicContact CG1-CG 4.23Å; V26-K28 PolarHBondContact O-N 2.93Å
29	M	53.3	Low	73	Confident	111 Å²	111	100 Å²	100	55%	0.547	57%	0.567	S	S	.	*	S	Bend	trans	-27.1	161.9	166.4	-70.4	169	57.6	0	0	114.3	I31 K32	M29-I31 PolarHBondContact O-N 2.67Å; M29-K32 VanDerWaalsContact SD-CE 3.56Å; M29-K32 PolarHBondContact SD-NZ 2.77Å
30	P	81.1	Confident	74.9	Confident	55 Å²	55	90.4 Å²	90.4	36%	0.357	53%	0.534	S	S	.	.	S	Bend	trans	-43	133.8	174.3	18.5	-33.3	0	0	0	110.8	K32 V136 D137 L138	P30-K32 WeakPolarHBondContact O-CG 3.32Å; P30-K32 PolarHBondContact O-N 3.21Å; P30-V136 WeakPolarHBondContact CA-O 3.46Å; P30-D137 VanDerWaalsContact CD-OD2 3.27Å; P30-D137 WeakPolarHBondContact CD-OD2 3.02Å; P30-L138 HydrophobicContact CB-CD2 3.85Å
31	I	93.8	Very high	76.7	Confident	12 Å²	12	89.6 Å²	89.6	6%	0.062	53%	0.526	C	S	.	.			trans	-41.6	129.1	-173.3	-171.9	169.6	0	0	0	110.6	M29 E35 L37 V136 L138 M159 V166 I169	M29-I31 PolarHBondContact O-N 2.67Å; I31-E35 HydrophobicContact CG1-CB 4.15Å; I31-L37 HydrophobicContact CD1-CD2 3.9Å; I31-V136 HydrophobicContact CB-CB 3.92Å; I31-V136 HydrophobicContact CB-CG1 4.27Å; I31-V136 HydrophobicContact CD1-CG1 3.97Å; I31-V136 HydrophobicContact CG2-CB 3.83Å; I31-V136 HydrophobicContact CG2-CG1 4.32Å; I31-V136 PolarHBondContact N-O 3.43Å; I31-L138 HydrophobicContact CG2-CD1 4.05Å; I31-M159 HydrophobicContact CG2-CE 4.31Å; I31-V166 HydrophobicContact CD1-CG2 3.6Å; I31-V166 HydrophobicContact CG1-CG2 4.01Å; I31-I169 HydrophobicContact CG2-CD1 3.59Å
32	K	93.5	Very high	78.8	Confident	90 Å²	90	81.5 Å²	81.5	39%	0.391	48%	0.484	S	S	.	.			trans	-102.4	158.8	-173.2	-65.4	-179.8	179	173.5	0	112	M29 P30 G34 E35	M29-K32 VanDerWaalsContact SD-CE 3.56Å; M29-K32 PolarHBondContact SD-NZ 2.77Å; P30-K32 WeakPolarHBondContact O-CG 3.32Å; P30-K32 PolarHBondContact O-N 3.21Å; K32-G34 PolarHBondContact O-N 3.31Å; K32-E35 HydrophobicContact CB-CG 4.22Å; K32-E35 PolarHBondContact N-OE2 3.11Å; K32-E35 WeakPolarHBondContact O-CB 3.47Å; K32-E35 PolarHBondContact O-N 2.78Å
33	V	96.6	Very high	81.1	Confident	89 Å²	89	74.7 Å²	74.7	54%	0.539	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	131	164	176.1	0	0	0	0	109.4	K167 I169	V33-K167 VanDerWaalsContact CG1-O 3.24Å; V33-K167 WeakPolarHBondContact CG1-O 3.45Å; V33-I169 HydrophobicContact CG2-CG2 4.26Å
34	G	97.4	Very high	83.6	Confident	54 Å²	54	70.6 Å²	70.6	56%	0.557	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.4	-11.5	-176.1	0	0	0	0	0	114.6	K32 V165 V166	K32-G34 PolarHBondContact O-N 3.31Å; G34-V165 WeakPolarHBondContact O-CG1 3.37Å; G34-V166 PolarHBondContact N-O 2.88Å
35	E	96.9	Very high	85.8	Confident	55 Å²	55	67.9 Å²	67.9	26%	0.257	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-87.8	147.2	177.1	-63.7	-173.5	147	0	0	111.9	I31 K32 V166	I31-E35 HydrophobicContact CG1-CB 4.15Å; K32-E35 HydrophobicContact CB-CG 4.22Å; K32-E35 PolarHBondContact N-OE2 3.11Å; K32-E35 WeakPolarHBondContact O-CB 3.47Å; K32-E35 PolarHBondContact O-N 2.78Å; E35-V166 PolarHBondContact O-N 3.04Å
36	A	97.6	Very high	87.6	Confident	66 Å²	66	67.9 Å²	67.9	55%	0.545	40%	0.397	S	S	.	.	B	Isolated β-bridge	trans	-77.7	148.1	173.7	0	0	0	0	0	110.8	G164	A36-G164 CarbonylContact C-O 3.54Å; A36-G164 VanDerWaalsContact CA-O 3.31Å; A36-G164 WeakPolarHBondContact CA-O 3.45Å
37	L	97.9	Very high	89.8	Confident	6 Å²	6	64.4 Å²	64.4	3%	0.031	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-59.8	139.6	169.1	-67.1	-177.2	0	0	0	110.2	I31 M53 F57 L64 F132 M159 V161 G164 V166	I31-L37 HydrophobicContact CD1-CD2 3.9Å; L37-M53 WeakPolarHBondContact CD1-O 3.4Å; L37-F57 HydrophobicContact CD1-CD2 3.54Å; L37-F57 HydrophobicContact CD1-CE2 3.91Å; L37-L64 HydrophobicContact CD1-CD2 4.49Å; L37-L64 HydrophobicContact CD2-CD2 4.48Å; L37-F132 HydrophobicContact CD2-CE2 4.5Å; L37-F132 HydrophobicContact CD2-CZ 4.21Å; L37-M159 HydrophobicContact CD2-SD 3.76Å; L37-V161 HydrophobicContact CD1-CG1 3.99Å; L37-V161 HydrophobicContact CD1-CG2 4.31Å; L37-V161 HydrophobicContact CG-CG1 4.24Å; L37-G164 PolarHBondContact N-O 2.95Å; L37-V166 HydrophobicContact CD2-CG2 4.02Å
38	P	97.2	Very high	92.2	Very high	32 Å²	32	60.9 Å²	60.9	21%	0.208	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-69.4	148.5	-179	30.7	-37	0	0	0	111	V40 F132 A135 V136	P38-V40 HydrophobicContact CB-CG2 4.06Å; P38-V40 HydrophobicContact CG-CG2 4.16Å; P38-V40 PolarHBondContact O-N 2.66Å; P38-F132 HydrophobicContact CG-CD2 4.04Å; P38-F132 HydrophobicContact CG-CE2 3.9Å; P38-A135 HydrophobicContact CB-CB 4.23Å; P38-A135 HydrophobicContact CG-CB 3.96Å; P38-V136 HydrophobicContact CG-CG1 3.79Å
39	A	96.9	Very high	94.4	Very high	80 Å²	80	57.7 Å²	57.7	66%	0.661	36%	0.358	S	S	*	.			trans	-73.3	73.6	172.1	0	0	0	0	0	110.5	D54	A39-D54 HydrophobicContact CB-CB 4.27Å
40	V	97.7	Very high	96.6	Very high	26 Å²	26	57 Å²	57	16%	0.158	35%	0.351	C	S	.	.			trans	-116.8	136	175.9	175.3	0	0	0	0	108.4	P38 M53 A131 F132 A135	P38-V40 HydrophobicContact CB-CG2 4.06Å; P38-V40 HydrophobicContact CG-CG2 4.16Å; P38-V40 PolarHBondContact O-N 2.66Å; V40-M53 WeakPolarHBondContact O-CB 3.24Å; V40-M53 WeakPolarHBondContact O-CG 3.2Å; V40-M53 PolarHBondContact O-N 3.49Å; V40-A131 HydrophobicContact CG1-CB 4.1Å; V40-F132 HydrophobicContact CB-CD2 4.36Å; V40-F132 HydrophobicContact CG1-CB 4.04Å; V40-A135 HydrophobicContact CG2-CB 3.88Å
41	E	98.4	Very high	97.4	Very high	128 Å²	128	55 Å²	55	60%	0.598	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.6	130.5	173.5	-65.5	-171.3	151.2	0	0	111.2	V51	E41-V51 WeakPolarHBondContact CA-O 2.99Å
42	V	98.7	Very high	97.6	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.006	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	178.2	169.8	-59.1	0	0	0	0	109.1	K50 V51 M53 I101 L125 A126 D127 F132	V42-K50 CarbonylContact O-C 3.52Å; V42-K50 WeakPolarHBondContact O-CA 3.47Å; V42-V51 HydrophobicContact CG2-CB 3.95Å; V42-V51 HydrophobicContact CG2-CG1 4.45Å; V42-V51 WeakPolarHBondContact CG2-O 3.5Å; V42-V51 PolarHBondContact N-O 2.98Å; V42-V51 PolarHBondContact O-N 2.81Å; V42-M53 HydrophobicContact CB-SD 4.44Å; V42-M53 HydrophobicContact CG1-CG 3.84Å; V42-M53 HydrophobicContact CG1-SD 4.1Å; V42-M53 HydrophobicContact CG2-CG 4.06Å; V42-M53 HydrophobicContact CG2-SD 3.48Å; V42-M53 WeakPolarHBondContact CG2-SD 3.16Å; V42-I101 HydrophobicContact CG1-CD1 3.86Å; V42-L125 HydrophobicContact CG2-CB 4.08Å; V42-L125 HydrophobicContact CG2-CD1 4.22Å; V42-L125 HydrophobicContact CG2-CD2 4.37Å; V42-L125 HydrophobicContact CG2-CG 4.46Å; V42-A126 WeakPolarHBondContact CB-O 3.18Å; V42-D127 HydrophobicContact CG1-CB 4.3Å; V42-F132 HydrophobicContact CG1-CB 4.04Å
43	Q	98.8	Very high	97.8	Very high	33 Å²	33	52 Å²	52	15%	0.154	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	152.9	-176.6	-57.4	172.5	3.9	0	0	110.8	N49 K50 A106 L125 A126 P128	Q43-N49 WeakPolarHBondContact CA-O 3.49Å; Q43-K50 HydrophobicContact CG-CD 4.28Å; Q43-A106 HydrophobicContact CB-CB 3.88Å; Q43-L125 CarbonylContact O-C 3.58Å; Q43-L125 WeakPolarHBondContact O-CA 3.23Å; Q43-A126 HydrophobicContact CB-CB 4.16Å; Q43-A126 PolarHBondContact N-O 3.49Å; Q43-A126 PolarHBondContact O-N 2.73Å; Q43-P128 HydrophobicContact CG-CG 4.49Å
44	E	98.6	Very high	97.8	Very high	38 Å²	38	49.7 Å²	49.7	18%	0.178	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	126.8	176.6	-179.7	176.1	-138.3	0	0	111.3	E46 N49 V51 R123 L125	E44-E46 PolarHBondContact O-N 3.38Å; E44-N49 PolarHBondContact N-O 2.97Å; E44-N49 VanDerWaalsContact O-CB 3.28Å; E44-N49 WeakPolarHBondContact O-CB 3.24Å; E44-N49 PolarHBondContact O-ND2 2.97Å; E44-V51 HydrophobicContact CB-CG2 3.92Å; E44-R123 WeakPolarHBondContact OE1-CB 3.43Å; E44-R123 IonicContact OE1-CZ 2.75Å; E44-R123 IonicContact OE1-NE 3.55Å; E44-R123 PolarHBondContact OE1-NE 3.04Å; E44-R123 IonicContact OE1-NH2 3.19Å; E44-R123 IonicContact OE2-CZ 3.55Å; E44-R123 IonicContact OE2-NE 3.72Å; E44-R123 PolarHBondContact OE2-NE 2.96Å; E44-R123 IonicContact OE2-NH2 3.4Å; E44-R123 PolarHBondContact OE2-NH2 2.98Å; E44-L125 HydrophobicContact CB-CD2 4.08Å; E44-L125 HydrophobicContact CG-CD2 4.33Å
45	G	98.1	Very high	97.9	Very high	37 Å²	37	51.4 Å²	51.4	38%	0.381	31%	0.308	S	S	.	.	S	Bend	trans	76.6	-58.1	-179.4	0	0	0	0	0	113.1
46	E	97.6	Very high	97.9	Very high	119 Å²	119	49.2 Å²	49.2	56%	0.556	30%	0.298	S	S	*	.	S	Bend	trans	-142.6	159.7	179.8	66.4	-178.4	168.1	0	0	111.8	E44 G48 N49 A106	E44-E46 PolarHBondContact O-N 3.38Å; E46-G48 PolarHBondContact O-N 3.35Å; E46-G48 VanDerWaalsContact O-N 3.13Å; E46-N49 HydrophobicContact CG-CB 4.12Å; E46-N49 PolarHBondContact O-N 2.89Å; E46-A106 VanDerWaalsContact C-CB 3.48Å
47	P	97.2	Very high	98	Very high	45 Å²	45	46 Å²	46	29%	0.292	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-25.2	-173.7	-27.1	35.5	0	0	0	115.8	K50 A106 F107	P47-K50 WeakPolarHBondContact O-CE 3.49Å; P47-K50 PolarHBondContact O-NZ 3.17Å; P47-A106 HydrophobicContact CG-CB 4.46Å; P47-F107 HydrophobicContact CG-CD2 4.45Å; P47-F107 HydrophobicContact CG-CE1 3.97Å; P47-F107 HydrophobicContact CG-CE2 3.6Å; P47-F107 HydrophobicContact CG-CZ 3.33Å
48	G	97.1	Very high	98	Very high	63 Å²	63	51.7 Å²	51.7	65%	0.649	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-24.5	-179.6	0	0	0	0	0	114	E46 K50	E46-G48 PolarHBondContact O-N 3.35Å; E46-G48 VanDerWaalsContact O-N 3.13Å; G48-K50 PolarHBondContact O-N 2.97Å
49	N	98.3	Very high	98	Very high	71 Å²	71	53.1 Å²	53.1	38%	0.38	32%	0.316	S	S	.	.			trans	-84.7	96.1	-179.8	-179.2	27.2	0	0	0	110.2	Q43 E44 E46	Q43-N49 WeakPolarHBondContact CA-O 3.49Å; E44-N49 PolarHBondContact N-O 2.97Å; E44-N49 VanDerWaalsContact O-CB 3.28Å; E44-N49 WeakPolarHBondContact O-CB 3.24Å; E44-N49 PolarHBondContact O-ND2 2.97Å; E46-N49 HydrophobicContact CG-CB 4.12Å; E46-N49 PolarHBondContact O-N 2.89Å
50	K	98.4	Very high	98.1	Very high	96 Å²	96	53 Å²	53	42%	0.417	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	140.5	-178.4	-56.6	-54.9	-172.6	-167.9	0	111.6	V42 Q43 P47 G48	V42-K50 CarbonylContact O-C 3.52Å; V42-K50 WeakPolarHBondContact O-CA 3.47Å; Q43-K50 HydrophobicContact CG-CD 4.28Å; P47-K50 WeakPolarHBondContact O-CE 3.49Å; P47-K50 PolarHBondContact O-NZ 3.17Å; G48-K50 PolarHBondContact O-N 2.97Å
51	V	98.6	Very high	98.1	Very high	14 Å²	14	54.3 Å²	54.3	9%	0.085	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	121.1	174.8	-179.5	0	0	0	0	108.7	E41 V42 E44 L56 L125	E41-V51 WeakPolarHBondContact CA-O 2.99Å; V42-V51 HydrophobicContact CG2-CB 3.95Å; V42-V51 HydrophobicContact CG2-CG1 4.45Å; V42-V51 WeakPolarHBondContact CG2-O 3.5Å; V42-V51 PolarHBondContact N-O 2.98Å; V42-V51 PolarHBondContact O-N 2.81Å; E44-V51 HydrophobicContact CB-CG2 3.92Å; V51-L56 HydrophobicContact CG1-CD1 4.23Å; V51-L125 HydrophobicContact CB-CD2 4.47Å; V51-L125 HydrophobicContact CG1-CD2 4.42Å; V51-L125 HydrophobicContact CG2-CD2 4.28Å
52	S	98.4	Very high	98.1	Very high	38 Å²	38	48.2 Å²	48.2	27%	0.266	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	120.1	175.5	-154.8	0	0	0	0	110.3	D54 Q55 L56	S52-D54 VanDerWaalsContact C-N 3.32Å; S52-D54 WeakPolarHBondContact CB-OD1 3.46Å; S52-D54 PolarHBondContact O-N 3.28Å; S52-D54 PolarHBondContact OG-OD1 3.36Å; S52-Q55 PolarHBondContact O-N 2.89Å; S52-Q55 VanDerWaalsContact O-N 3.09Å; S52-L56 PolarHBondContact O-N 3.14Å
53	M	98.4	Very high	98.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-67.4	-30	-172.1	-70.4	-58.1	-59	0	0	114	L37 V40 V42 Q55 L56 L64 I101 L125 F132	L37-M53 WeakPolarHBondContact CD1-O 3.4Å; V40-M53 WeakPolarHBondContact O-CB 3.24Å; V40-M53 WeakPolarHBondContact O-CG 3.2Å; V40-M53 PolarHBondContact O-N 3.49Å; V42-M53 HydrophobicContact CB-SD 4.44Å; V42-M53 HydrophobicContact CG1-CG 3.84Å; V42-M53 HydrophobicContact CG1-SD 4.1Å; V42-M53 HydrophobicContact CG2-CG 4.06Å; V42-M53 HydrophobicContact CG2-SD 3.48Å; V42-M53 WeakPolarHBondContact CG2-SD 3.16Å; M53-Q55 VanDerWaalsContact C-N 3.3Å; M53-L56 HydrophobicContact CE-CD2 3.83Å; M53-L56 HydrophobicContact SD-CD2 3.99Å; M53-L64 HydrophobicContact CE-CD1 3.99Å; M53-L64 HydrophobicContact CE-CD2 3.58Å; M53-L64 HydrophobicContact CE-CG 4.45Å; M53-I101 HydrophobicContact CE-CD1 4.47Å; M53-I101 HydrophobicContact SD-CD1 4.45Å; M53-L125 HydrophobicContact CE-CD1 4.26Å; M53-L125 HydrophobicContact SD-CD1 3.85Å; M53-F132 HydrophobicContact CB-CD2 3.91Å; M53-F132 HydrophobicContact CB-CE2 3.76Å; M53-F132 HydrophobicContact CE-CD2 4.37Å; M53-F132 HydrophobicContact CE-CE2 3.86Å; M53-F132 HydrophobicContact CE-CZ 3.93Å; M53-F132 HydrophobicContact CG-CD2 3.58Å; M53-F132 HydrophobicContact CG-CE2 3.79Å; M53-F132 HydrophobicContact CG-CG 4.35Å
54	D	96.3	Very high	98.2	Very high	41 Å²	41	46.6 Å²	46.6	22%	0.219	27%	0.268	C	S	.	.	H	α-helix	trans	-71.9	-21.1	173.7	66.6	-48	0	0	0	113.3	A39 S52	A39-D54 HydrophobicContact CB-CB 4.27Å; S52-D54 VanDerWaalsContact C-N 3.32Å; S52-D54 WeakPolarHBondContact CB-OD1 3.46Å; S52-D54 PolarHBondContact O-N 3.28Å; S52-D54 PolarHBondContact OG-OD1 3.36Å
55	Q	98.3	Very high	98.2	Very high	91 Å²	91	44.8 Å²	44.8	43%	0.425	26%	0.26	S	S	.	.	H	α-helix	trans	-96.7	-23.7	177.8	-58.6	-54.3	-54.8	0	0	113	S52 M53 F57 K58	S52-Q55 PolarHBondContact O-N 2.89Å; S52-Q55 VanDerWaalsContact O-N 3.09Å; M53-Q55 VanDerWaalsContact C-N 3.3Å; Q55-F57 VanDerWaalsContact C-N 3.25Å; Q55-F57 PolarHBondContact O-N 2.55Å; Q55-F57 VanDerWaalsContact O-N 3.15Å; Q55-K58 WeakPolarHBondContact O-CB 3.47Å; Q55-K58 PolarHBondContact O-N 3.14Å; Q55-K58 VanDerWaalsContact O-N 3.11Å
56	L	98.2	Very high	98.2	Very high	8 Å²	8	43 Å²	43	4%	0.042	24%	0.242	C	C	.	.	H	α-helix	trans	-50.4	-43	-174.9	177.1	57.8	0	0	0	113.4	V51 S52 M53 E97 A99 L125	V51-L56 HydrophobicContact CG1-CD1 4.23Å; S52-L56 PolarHBondContact O-N 3.14Å; M53-L56 HydrophobicContact CE-CD2 3.83Å; M53-L56 HydrophobicContact SD-CD2 3.99Å; L56-E97 HydrophobicContact CD1-CG 4.14Å; L56-E97 HydrophobicContact CG-CG 4.43Å; L56-A99 HydrophobicContact CD2-CB 4.17Å; L56-L125 HydrophobicContact CD2-CD1 3.62Å
57	F	98.4	Very high	98.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108	12.6	-177.1	-60.6	-79.7	0	0	0	113.9	L37 Q55 G59 K60 L64 E97 A99 V161 D163 G164	L37-F57 HydrophobicContact CD1-CD2 3.54Å; L37-F57 HydrophobicContact CD1-CE2 3.91Å; Q55-F57 VanDerWaalsContact C-N 3.25Å; Q55-F57 PolarHBondContact O-N 2.55Å; Q55-F57 VanDerWaalsContact O-N 3.15Å; F57-G59 PolarHBondContact O-N 3.08Å; F57-K60 PolarHBondContact O-N 3.49Å; F57-L64 HydrophobicContact CE2-CB 3.92Å; F57-L64 HydrophobicContact CZ-CB 3.81Å; F57-E97 HydrophobicContact CD1-CB 3.87Å; F57-E97 HydrophobicContact CD1-CG 3.91Å; F57-E97 HydrophobicContact CE1-CB 3.72Å; F57-E97 HydrophobicContact CE1-CG 3.52Å; F57-E97 HydrophobicContact CZ-CG 4.25Å; F57-A99 HydrophobicContact CZ-CB 4.35Å; F57-V161 HydrophobicContact CB-CB 4.25Å; F57-V161 HydrophobicContact CB-CG1 3.69Å; F57-V161 HydrophobicContact CD1-CB 4.28Å; F57-V161 HydrophobicContact CD2-CB 4.08Å; F57-V161 HydrophobicContact CD2-CG1 3.89Å; F57-V161 HydrophobicContact CD2-CG2 4.37Å; F57-V161 HydrophobicContact CE2-CG2 4.4Å; F57-V161 HydrophobicContact CG-CB 3.95Å; F57-V161 HydrophobicContact CG-CG1 3.82Å; F57-D163 WeakPolarHBondContact O-CA 3.16Å; F57-D163 PolarHBondContact O-N 2.83Å; F57-G164 PolarHBondContact O-N 2.8Å
58	K	98.1	Very high	98.3	Very high	125 Å²	125	35.5 Å²	35.5	54%	0.543	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	128.5	-179.9	-172	170.3	-178.2	176.7	0	110.8	Q55 K60	Q55-K58 WeakPolarHBondContact O-CB 3.47Å; Q55-K58 PolarHBondContact O-N 3.14Å; Q55-K58 VanDerWaalsContact O-N 3.11Å; K58-K60 PolarHBondContact O-N 3.33Å; K58-K60 VanDerWaalsContact O-N 3.16Å
59	G	98.2	Very high	98.3	Very high	61 Å²	61	32.5 Å²	32.5	63%	0.629	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.8	9.5	-174.2	0	0	0	0	0	115.1	F57 D163	F57-G59 PolarHBondContact O-N 3.08Å; G59-D163 PolarHBondContact N-OD1 2.89Å
60	K	98.3	Very high	98.4	Very high	78 Å²	78	29.5 Å²	29.5	34%	0.339	16%	0.157	S	C	.	.			trans	-123.9	152.2	-176.8	-63.4	176.7	-170.9	172.6	0	110.9	F57 K58 Q96 E97 E162 D163	F57-K60 PolarHBondContact O-N 3.49Å; K58-K60 PolarHBondContact O-N 3.33Å; K58-K60 VanDerWaalsContact O-N 3.16Å; K60-Q96 HydrophobicContact CB-CB 4.31Å; K60-Q96 HydrophobicContact CG-CB 4.44Å; K60-E97 HydrophobicContact CD-CB 4.4Å; K60-E97 IonicContact NZ-OE2 2.67Å; K60-E162 WeakPolarHBondContact O-CA 3.39Å; K60-D163 PolarHBondContact O-N 3.48Å
61	K	98.6	Very high	98.4	Very high	54 Å²	54	29.7 Å²	29.7	24%	0.235	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	131.1	161.6	-180	170	-173.6	152.9	0	108.2	I95 Q96 E97 L160 V161 E162	K61-I95 HydrophobicContact CD-CD1 4.19Å; K61-I95 HydrophobicContact CG-CD1 3.77Å; K61-Q96 PolarHBondContact O-N 3.02Å; K61-E97 PolarHBondContact O-N 2.69Å; K61-L160 HydrophobicContact CG-CD1 4.14Å; K61-V161 CarbonylContact C-O 3.53Å; K61-V161 WeakPolarHBondContact CA-O 3.49Å; K61-E162 HydrophobicContact CB-CG 3.93Å; K61-E162 HydrophobicContact CD-CG 4.02Å; K61-E162 WeakPolarHBondContact CD-OE1 3.31Å; K61-E162 WeakPolarHBondContact CE-OE1 3.44Å; K61-E162 HydrophobicContact CG-CG 3.62Å; K61-E162 IonicContact NZ-OE1 3.71Å; K61-E162 PolarHBondContact NZ-OE1 3.31Å
62	G	98.6	Very high	98.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	167.6	-174.4	0	0	0	0	0	114.4	E97 V161	G62-E97 CarbonylContact C-O 3.58Å; G62-E97 WeakPolarHBondContact CA-O 3.43Å; G62-V161 PolarHBondContact N-O 3.36Å; G62-V161 PolarHBondContact O-N 3.08Å
63	V	98.8	Very high	98.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	127.3	175	179.7	0	0	0	0	108.9	F83 I95 E97 V98 A99 M159 L160 V186	V63-F83 HydrophobicContact CG1-CE1 3.79Å; V63-F83 HydrophobicContact CG1-CZ 4.34Å; V63-I95 HydrophobicContact CG2-CD1 4.04Å; V63-I95 HydrophobicContact CG2-CG1 4.21Å; V63-I95 HydrophobicContact CG2-CG2 4.06Å; V63-E97 PolarHBondContact N-O 2.93Å; V63-V98 WeakPolarHBondContact O-CA 3.46Å; V63-A99 PolarHBondContact O-N 3.1Å; V63-M159 WeakPolarHBondContact CA-O 3.35Å; V63-L160 HydrophobicContact CG2-CD1 4.47Å; V63-V186 HydrophobicContact CG1-CG1 4.19Å; V63-V186 HydrophobicContact CG2-CG1 3.76Å
64	L	98.9	Very high	98.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	122.7	166.5	176.9	64.8	0	0	0	108	L37 M53 F57 A99 I101 F132 A158 M159 V161	L37-L64 HydrophobicContact CD1-CD2 4.49Å; L37-L64 HydrophobicContact CD2-CD2 4.48Å; M53-L64 HydrophobicContact CE-CD1 3.99Å; M53-L64 HydrophobicContact CE-CD2 3.58Å; M53-L64 HydrophobicContact CE-CG 4.45Å; F57-L64 HydrophobicContact CE2-CB 3.92Å; F57-L64 HydrophobicContact CZ-CB 3.81Å; L64-A99 WeakPolarHBondContact CA-O 3.23Å; L64-A99 HydrophobicContact CD1-CB 3.96Å; L64-I101 HydrophobicContact CD1-CB 4.18Å; L64-I101 HydrophobicContact CD1-CG2 3.84Å; L64-I101 HydrophobicContact CG-CG2 4.37Å; L64-F132 HydrophobicContact CD2-CE1 3.97Å; L64-F132 HydrophobicContact CD2-CZ 3.68Å; L64-A158 CarbonylContact O-C 3.56Å; L64-A158 WeakPolarHBondContact O-CA 3.17Å; L64-M159 HydrophobicContact CB-CG 3.77Å; L64-M159 HydrophobicContact CB-SD 4.38Å; L64-M159 HydrophobicContact CD2-CE 4.09Å; L64-M159 HydrophobicContact CD2-CG 4.42Å; L64-M159 HydrophobicContact CD2-SD 4.02Å; L64-M159 HydrophobicContact CG-CG 4.39Å; L64-M159 PolarHBondContact N-O 3.43Å; L64-M159 WeakPolarHBondContact O-CG 3.24Å; L64-M159 PolarHBondContact O-N 3.29Å; L64-V161 HydrophobicContact CB-CG2 4.43Å
65	F	98.9	Very high	98.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	147.5	171.9	70.3	-84.8	0	0	0	110.6	H79 L80 F83 V98 A99 C100 I101 V122 Y157 A158	F65-H79 AromaticContact CD2-CE1 3.76Å; F65-H79 AromaticContact CD2-ND1 3.95Å; F65-L80 HydrophobicContact CE2-CD1 4.4Å; F65-L80 HydrophobicContact CZ-CD1 3.86Å; F65-F83 HydrophobicContact CB-CE2 3.97Å; F65-F83 HydrophobicContact CB-CZ 4.07Å; F65-F83 HydrophobicContact CD1-CD1 4.02Å; F65-F83 AromaticContact CD1-CD2 3.7Å; F65-F83 HydrophobicContact CD1-CD2 3.7Å; F65-F83 HydrophobicContact CD1-CE1 4.14Å; F65-F83 AromaticContact CD1-CE2 3.82Å; F65-F83 HydrophobicContact CD1-CE2 3.82Å; F65-F83 AromaticContact CD1-CG 3.81Å; F65-F83 HydrophobicContact CD1-CG 3.81Å; F65-F83 HydrophobicContact CD1-CZ 4.04Å; F65-F83 AromaticContact CD2-CD2 3.87Å; F65-F83 HydrophobicContact CD2-CD2 3.87Å; F65-F83 AromaticContact CD2-CE2 3.88Å; F65-F83 HydrophobicContact CD2-CE2 3.88Å; F65-F83 HydrophobicContact CE1-CB 3.76Å; F65-F83 HydrophobicContact CE1-CD1 4.03Å; F65-F83 AromaticContact CE1-CD2 3.6Å; F65-F83 HydrophobicContact CE1-CD2 3.6Å; F65-F83 HydrophobicContact CE1-CE2 4.21Å; F65-F83 AromaticContact CE1-CG 3.5Å; F65-F83 HydrophobicContact CE1-CG 3.5Å; F65-F83 AromaticContact CE2-CD2 3.77Å; F65-F83 HydrophobicContact CE2-CD2 3.77Å; F65-F83 HydrophobicContact CE2-CE2 4.26Å; F65-F83 HydrophobicContact CE2-CG 4.44Å; F65-F83 AromaticContact CG-CD2 3.81Å; F65-F83 HydrophobicContact CG-CD2 3.81Å; F65-F83 AromaticContact CG-CE2 3.62Å; F65-F83 HydrophobicContact CG-CE2 3.62Å; F65-F83 HydrophobicContact CG-CG 4.4Å; F65-F83 HydrophobicContact CG-CZ 4.05Å; F65-F83 HydrophobicContact CZ-CB 3.86Å; F65-F83 AromaticContact CZ-CD2 3.61Å; F65-F83 HydrophobicContact CZ-CD2 3.61Å; F65-F83 HydrophobicContact CZ-CE2 4.4Å; F65-F83 AromaticContact CZ-CG 3.83Å; F65-F83 HydrophobicContact CZ-CG 3.83Å; F65-V98 HydrophobicContact CD1-CG1 4.43Å; F65-V98 HydrophobicContact CE1-CG1 4.04Å; F65-A99 VanDerWaalsContact CD1-O 3.23Å; F65-A99 WeakPolarHBondContact CD1-O 3.42Å; F65-A99 PolarHBondContact N-O 3.12Å; F65-C100 HydrophobicContact CD2-CB 4.34Å; F65-C100 HydrophobicContact CE1-CB 3.86Å; F65-C100 HydrophobicContact CE2-CB 3.63Å; F65-C100 WeakPolarHBondContact CE2-SG 3.46Å; F65-C100 HydrophobicContact CZ-CB 3.37Å; F65-C100 CarbonylContact O-C 3.41Å; F65-C100 VanDerWaalsContact O-CA 3.3Å; F65-C100 WeakPolarHBondContact O-CA 3.45Å; F65-I101 PolarHBondContact O-N 3.32Å; F65-V122 HydrophobicContact CE1-CG1 3.77Å; F65-V122 HydrophobicContact CZ-CG1 3.9Å; F65-Y157 CarbonylContact C-O 3.56Å; F65-Y157 VanDerWaalsContact CA-O 3.23Å; F65-Y157 WeakPolarHBondContact CA-O 3.39Å; F65-Y157 WeakPolarHBondContact CB-O 3.32Å; F65-A158 HydrophobicContact CB-CB 3.94Å
66	A	98.9	Very high	98.1	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	153.2	178.7	0	0	0	0	0	112.1	H79 I101 R156 Y157	A66-H79 PolarHBondContact O-CE1 3.08Å; A66-I101 VanDerWaalsContact CA-O 3.23Å; A66-I101 WeakPolarHBondContact CA-O 3.38Å; A66-I101 HydrophobicContact CB-CG2 3.64Å; A66-R156 WeakPolarHBondContact O-CA 3.34Å; A66-R156 WeakPolarHBondContact O-CG 3.28Å; A66-Y157 HydrophobicContact CB-CD1 3.82Å; A66-Y157 HydrophobicContact CB-CD2 4.05Å; A66-Y157 HydrophobicContact CB-CE1 3.34Å; A66-Y157 HydrophobicContact CB-CE2 3.54Å; A66-Y157 HydrophobicContact CB-CG 4.16Å; A66-Y157 WeakPolarHBondContact CB-OH 3.25Å; A66-Y157 PolarHBondContact N-O 2.86Å; A66-Y157 PolarHBondContact O-N 3.35Å
67	V	98.8	Very high	98.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	152	176	-71.1	0	0	0	0	110.6	G69 C75 H79 I101 S102 W112	V67-G69 PolarHBondContact O-N 2.96Å; V67-C75 HydrophobicContact CB-CB 4.13Å; V67-C75 VanDerWaalsContact CB-SG 3.59Å; V67-C75 HydrophobicContact CG1-CB 4Å; V67-H79 HydrophobicContact CG1-CB 4.39Å; V67-H79 VanDerWaalsContact CG1-ND1 3.28Å; V67-H79 WeakPolarHBondContact CG1-ND1 3.5Å; V67-I101 PolarHBondContact N-O 2.71Å; V67-I101 VanDerWaalsContact N-O 3.11Å; V67-S102 PolarHBondContact O-OG 3.34Å; V67-W112 HydrophobicContact CG1-CH2 4.34Å; V67-W112 HydrophobicContact CG2-CH2 3.91Å; V67-W112 HydrophobicContact CG2-CZ3 3.89Å
68	P	98.3	Very high	98.1	Very high	5 Å²	5	38.9 Å²	38.9	3%	0.032	21%	0.214	C	C	.	.	S	Bend	trans	-60.8	-30	171.6	-27.8	35.8	0	0	0	114.1	L140 R153 S154 T176	P68-L140 HydrophobicContact CB-CD2 4.35Å; P68-L140 HydrophobicContact CG-CD2 4.38Å; P68-R153 VanDerWaalsContact O-CB 3.27Å; P68-R153 WeakPolarHBondContact O-CB 3.37Å; P68-R153 VanDerWaalsContact O-CD 3.25Å; P68-R153 WeakPolarHBondContact O-CD 3.39Å; P68-R153 WeakPolarHBondContact O-CG 3.39Å; P68-R153 PolarHBondContact O-NH1 3.19Å; P68-S154 VanDerWaalsContact CA-O 3.31Å; P68-S154 WeakPolarHBondContact CA-O 3.4Å; P68-T176 HydrophobicContact CG-CG2 4.11Å
69	G	97.8	Very high	98.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.188	C	C	.	.			trans	-177.2	140.8	-179.1	0	0	0	0	0	114	V67 T72 S102 N104 R153	V67-G69 PolarHBondContact O-N 2.96Å; G69-T72 PolarHBondContact O-N 3.21Å; G69-T72 PolarHBondContact O-OG1 3.08Å; G69-S102 WeakPolarHBondContact CA-OG 3.46Å; G69-N104 WeakPolarHBondContact CA-OD1 3.41Å; G69-R153 VanDerWaalsContact CA-NH1 3.25Å
70	A	98.5	Very high	98.1	Very high	9 Å²	9	30 Å²	30	7%	0.074	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	148.5	163.6	0	0	0	0	0	110.6	T72 N104 V108 M109 W112	A70-T72 PolarHBondContact O-N 3.13Å; A70-N104 PolarHBondContact N-OD1 2.73Å; A70-V108 HydrophobicContact CB-CG1 3.72Å; A70-M109 HydrophobicContact CB-SD 4.05Å; A70-W112 HydrophobicContact CB-CB 3.95Å; A70-W112 HydrophobicContact CB-CD2 3.66Å; A70-W112 HydrophobicContact CB-CE3 3.67Å; A70-W112 HydrophobicContact CB-CG 3.77Å; A70-W112 HydrophobicContact CB-CZ3 4.45Å
71	F	98.5	Very high	98.1	Very high	100 Å²	100	27.2 Å²	27.2	44%	0.439	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	63	-1.4	-179.8	-59.6	-84.2	0	0	0	117.1	S76 V108 W112 E115	F71-S76 VanDerWaalsContact CA-OG 3.28Å; F71-S76 WeakPolarHBondContact CA-OG 3.41Å; F71-V108 HydrophobicContact CD2-CG1 4.03Å; F71-V108 HydrophobicContact CE2-CG1 3.9Å; F71-W112 AromaticContact CD1-CD1 3.94Å; F71-W112 HydrophobicContact CD2-CB 4.17Å; F71-W112 HydrophobicContact CD2-CG 4.25Å; F71-W112 HydrophobicContact CE2-CB 3.59Å; F71-W112 HydrophobicContact CE2-CG 4.12Å; F71-W112 HydrophobicContact CZ-CB 3.81Å; F71-W112 HydrophobicContact CZ-CG 4.33Å; F71-E115 WeakPolarHBondContact CE1-OE2 3.4Å
72	T	97.6	Very high	98.2	Very high	24 Å²	24	25.3 Å²	25.3	15%	0.147	14%	0.143	C	C	.	.			trans	-75.4	145.1	176.5	63.2	0	0	0	0	111.4	G69 A70 G74 C75 S76 L149	G69-T72 PolarHBondContact O-N 3.21Å; G69-T72 PolarHBondContact O-OG1 3.08Å; A70-T72 PolarHBondContact O-N 3.13Å; T72-G74 PolarHBondContact O-N 2.96Å; T72-C75 PolarHBondContact O-N 3.33Å; T72-C75 WeakPolarHBondContact OG1-CB 3.32Å; T72-C75 PolarHBondContact OG1-SG 3.27Å; T72-S76 PolarHBondContact O-N 2.84Å; T72-S76 PolarHBondContact O-OG 3.39Å; T72-L149 HydrophobicContact CG2-CD1 4.44Å; T72-L149 HydrophobicContact CG2-CD2 3.81Å
73	P	96.8	Very high	98.2	Very high	90 Å²	90	25.3 Å²	25.3	58%	0.584	14%	0.143	S	C	*	.	H	α-helix	trans	-55.2	-48.8	-165.3	-29.4	35.3	0	0	0	115.4	C75 K77	P73-C75 VanDerWaalsContact C-N 3.32Å; P73-C75 PolarHBondContact O-N 3.2Å; P73-K77 VanDerWaalsContact O-CB 3.22Å; P73-K77 WeakPolarHBondContact O-CB 3.4Å; P73-K77 VanDerWaalsContact O-CG 3.27Å; P73-K77 WeakPolarHBondContact O-CG 3.5Å; P73-K77 PolarHBondContact O-N 2.84Å
74	G	95.6	Very high	98.2	Very high	21 Å²	21	25.9 Å²	25.9	22%	0.216	15%	0.147	C	C	.	.	H	α-helix	trans	-68.6	-30.7	-179.9	0	0	0	0	0	113.5	T72 T78 H79	T72-G74 PolarHBondContact O-N 2.96Å; G74-T78 PolarHBondContact O-N 3.45Å; G74-H79 PolarHBondContact O-N 3.05Å; G74-H79 VanDerWaalsContact O-N 3.13Å
75	C	96.9	Very high	98.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.182	C	C	.	.	I	π-helix	trans	-72.9	-45	178.6	-56.9	0	0	0	0	111.1	V67 T72 P73 H79 L80 W112 R156	V67-C75 HydrophobicContact CB-CB 4.13Å; V67-C75 VanDerWaalsContact CB-SG 3.59Å; V67-C75 HydrophobicContact CG1-CB 4Å; T72-C75 PolarHBondContact O-N 3.33Å; T72-C75 WeakPolarHBondContact OG1-CB 3.32Å; T72-C75 PolarHBondContact OG1-SG 3.27Å; P73-C75 VanDerWaalsContact C-N 3.32Å; P73-C75 PolarHBondContact O-N 3.2Å; C75-H79 PolarHBondContact O-N 3.19Å; C75-L80 PolarHBondContact O-N 3.22Å; C75-L80 VanDerWaalsContact O-N 3.09Å; C75-W112 HydrophobicContact CB-CH2 4.06Å; C75-W112 HydrophobicContact CB-CZ2 3.89Å; C75-R156 PolarHBondContact SG-NH1 3.49Å; C75-R156 PolarHBondContact SG-NH2 3.27Å; C75-R156 VanDerWaalsContact SG-NH2 3.44Å
76	S	97.9	Very high	98.1	Very high	19 Å²	19	35.5 Å²	35.5	13%	0.133	19%	0.192	C	C	.	.	I	π-helix	trans	-80.2	-28.3	-176.9	-58.4	0	0	0	0	114.2	F71 T72 P81 W112 H116	F71-S76 VanDerWaalsContact CA-OG 3.28Å; F71-S76 WeakPolarHBondContact CA-OG 3.41Å; T72-S76 PolarHBondContact O-N 2.84Å; T72-S76 PolarHBondContact O-OG 3.39Å; S76-P81 WeakPolarHBondContact O-CG 2.96Å; S76-W112 PolarHBondContact OG-NE1 2.85Å; S76-H116 WeakPolarHBondContact CB-NE2 3.36Å; S76-H116 PolarHBondContact O-CE1 3.04Å
77	K	97.7	Very high	98.1	Very high	167 Å²	167	35.6 Å²	35.6	73%	0.726	19%	0.192	S	C	*	.	I	π-helix	trans	-92.4	-24.3	-177.8	-65.1	179.1	179.8	-177.2	0	113.5	P73	P73-K77 VanDerWaalsContact O-CB 3.22Å; P73-K77 WeakPolarHBondContact O-CB 3.4Å; P73-K77 VanDerWaalsContact O-CG 3.27Å; P73-K77 WeakPolarHBondContact O-CG 3.5Å; P73-K77 PolarHBondContact O-N 2.84Å
78	T	98	Very high	98.1	Very high	63 Å²	63	43.3 Å²	43.3	39%	0.387	23%	0.229	S	C	.	.	I	π-helix	trans	-132.7	-60.5	-168.9	-50.5	0	0	0	0	112.3	G74 G82 L178 L182	G74-T78 PolarHBondContact O-N 3.45Å; T78-G82 PolarHBondContact O-N 2.7Å; T78-G82 VanDerWaalsContact O-N 3.09Å; T78-L178 HydrophobicContact CG2-CD1 4.37Å; T78-L178 HydrophobicContact CG2-CD2 4.4Å; T78-L182 HydrophobicContact CG2-CD2 4.02Å
79	H	98.6	Very high	98.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.248	C	C	.	.	I	π-helix	trans	-66.7	-60.8	-165.5	-159.5	-155	0	0	0	113.3	F65 A66 V67 G74 C75 G82 F83 R156 L178 S181	F65-H79 AromaticContact CD2-CE1 3.76Å; F65-H79 AromaticContact CD2-ND1 3.95Å; A66-H79 PolarHBondContact O-CE1 3.08Å; V67-H79 HydrophobicContact CG1-CB 4.39Å; V67-H79 VanDerWaalsContact CG1-ND1 3.28Å; V67-H79 WeakPolarHBondContact CG1-ND1 3.5Å; G74-H79 PolarHBondContact O-N 3.05Å; G74-H79 VanDerWaalsContact O-N 3.13Å; C75-H79 PolarHBondContact O-N 3.19Å; H79-G82 PolarHBondContact O-N 2.87Å; H79-F83 AromaticContact CD2-CE2 3.82Å; H79-F83 AromaticContact NE2-CE2 3.7Å; H79-F83 WeakPolarHBondContact O-CD2 3.3Å; H79-R156 WeakPolarHBondContact CE1-CG 3.44Å; H79-R156 PolarHBondContact ND1-NH1 2.84Å; H79-L178 HydrophobicContact CB-CD2 3.96Å; H79-S181 PolarHBondContact CE1-OG 3.22Å; H79-S181 VanDerWaalsContact CE1-OG 3.29Å; H79-S181 PolarHBondContact NE2-O 3.28Å; H79-S181 PolarHBondContact NE2-OG 2.87Å
80	L	98.8	Very high	98.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.2	-47.1	179	170.5	65.4	0	0	0	112.1	F65 C75 G82 F83 V84 C100 W112 H116 V122 M124	F65-L80 HydrophobicContact CE2-CD1 4.4Å; F65-L80 HydrophobicContact CZ-CD1 3.86Å; C75-L80 PolarHBondContact O-N 3.22Å; C75-L80 VanDerWaalsContact O-N 3.09Å; L80-G82 PolarHBondContact O-N 2.86Å; L80-F83 PolarHBondContact O-N 2.84Å; L80-F83 VanDerWaalsContact O-N 3.15Å; L80-V84 HydrophobicContact CD1-CG2 3.92Å; L80-V84 HydrophobicContact CG-CG2 4.23Å; L80-V84 WeakPolarHBondContact O-CG2 3.47Å; L80-V84 PolarHBondContact O-N 2.99Å; L80-C100 HydrophobicContact CD1-CB 4.45Å; L80-W112 HydrophobicContact CB-CH2 3.7Å; L80-W112 HydrophobicContact CB-CZ2 3.82Å; L80-W112 HydrophobicContact CD2-CD2 3.92Å; L80-W112 HydrophobicContact CD2-CE3 3.97Å; L80-W112 HydrophobicContact CD2-CH2 3.58Å; L80-W112 HydrophobicContact CD2-CZ2 3.51Å; L80-W112 HydrophobicContact CD2-CZ3 3.82Å; L80-W112 HydrophobicContact CG-CH2 4.22Å; L80-W112 HydrophobicContact CG-CZ2 4.32Å; L80-H116 HydrophobicContact CD2-CB 3.72Å; L80-H116 HydrophobicContact CG-CB 4.21Å; L80-V122 HydrophobicContact CD1-CG1 4.17Å; L80-M124 HydrophobicContact CD1-CE 4.07Å; L80-M124 HydrophobicContact CD1-SD 3.97Å; L80-M124 HydrophobicContact CD2-CE 3.66Å; L80-M124 HydrophobicContact CD2-SD 4.49Å
81	P	98.8	Very high	98.1	Very high	20 Å²	20	52.7 Å²	52.7	13%	0.13	27%	0.266	C	S	.	.	H	α-helix	trans	-55.8	-37	178.3	-27.8	34.6	0	0	0	114	S76 V84 Q85	S76-P81 WeakPolarHBondContact O-CG 2.96Å; P81-V84 PolarHBondContact O-N 3Å; P81-Q85 WeakPolarHBondContact O-CB 3.3Å; P81-Q85 VanDerWaalsContact O-CG 3.23Å; P81-Q85 WeakPolarHBondContact O-CG 3.31Å; P81-Q85 PolarHBondContact O-N 2.78Å
82	G	98.7	Very high	98.1	Very high	14 Å²	14	52.5 Å²	52.5	14%	0.144	28%	0.276	C	S	.	.	H	α-helix	trans	-58	-50	176.3	0	0	0	0	0	112.2	T78 H79 L80 V84 Q85 Q86 S183	T78-G82 PolarHBondContact O-N 2.7Å; T78-G82 VanDerWaalsContact O-N 3.09Å; H79-G82 PolarHBondContact O-N 2.87Å; L80-G82 PolarHBondContact O-N 2.86Å; G82-V84 PolarHBondContact O-N 3.29Å; G82-Q85 PolarHBondContact O-N 2.96Å; G82-Q86 WeakPolarHBondContact O-CB 3.11Å; G82-Q86 WeakPolarHBondContact O-CG 3.47Å; G82-Q86 PolarHBondContact O-N 3.42Å; G82-S183 WeakPolarHBondContact CA-OG 3.39Å; G82-S183 PolarHBondContact O-OG 2.96Å
83	F	98.8	Very high	98.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64.3	-37.6	176.4	-76.7	-77.5	0	0	0	112.9	V63 F65 H79 L80 A87 L90 V98 V122 A158 V186	V63-F83 HydrophobicContact CG1-CE1 3.79Å; V63-F83 HydrophobicContact CG1-CZ 4.34Å; F65-F83 HydrophobicContact CB-CE2 3.97Å; F65-F83 HydrophobicContact CB-CZ 4.07Å; F65-F83 HydrophobicContact CD1-CD1 4.02Å; F65-F83 AromaticContact CD1-CD2 3.7Å; F65-F83 HydrophobicContact CD1-CD2 3.7Å; F65-F83 HydrophobicContact CD1-CE1 4.14Å; F65-F83 AromaticContact CD1-CE2 3.82Å; F65-F83 HydrophobicContact CD1-CE2 3.82Å; F65-F83 AromaticContact CD1-CG 3.81Å; F65-F83 HydrophobicContact CD1-CG 3.81Å; F65-F83 HydrophobicContact CD1-CZ 4.04Å; F65-F83 AromaticContact CD2-CD2 3.87Å; F65-F83 HydrophobicContact CD2-CD2 3.87Å; F65-F83 AromaticContact CD2-CE2 3.88Å; F65-F83 HydrophobicContact CD2-CE2 3.88Å; F65-F83 HydrophobicContact CE1-CB 3.76Å; F65-F83 HydrophobicContact CE1-CD1 4.03Å; F65-F83 AromaticContact CE1-CD2 3.6Å; F65-F83 HydrophobicContact CE1-CD2 3.6Å; F65-F83 HydrophobicContact CE1-CE2 4.21Å; F65-F83 AromaticContact CE1-CG 3.5Å; F65-F83 HydrophobicContact CE1-CG 3.5Å; F65-F83 AromaticContact CE2-CD2 3.77Å; F65-F83 HydrophobicContact CE2-CD2 3.77Å; F65-F83 HydrophobicContact CE2-CE2 4.26Å; F65-F83 HydrophobicContact CE2-CG 4.44Å; F65-F83 AromaticContact CG-CD2 3.81Å; F65-F83 HydrophobicContact CG-CD2 3.81Å; F65-F83 AromaticContact CG-CE2 3.62Å; F65-F83 HydrophobicContact CG-CE2 3.62Å; F65-F83 HydrophobicContact CG-CG 4.4Å; F65-F83 HydrophobicContact CG-CZ 4.05Å; F65-F83 HydrophobicContact CZ-CB 3.86Å; F65-F83 AromaticContact CZ-CD2 3.61Å; F65-F83 HydrophobicContact CZ-CD2 3.61Å; F65-F83 HydrophobicContact CZ-CE2 4.4Å; F65-F83 AromaticContact CZ-CG 3.83Å; F65-F83 HydrophobicContact CZ-CG 3.83Å; H79-F83 AromaticContact CD2-CE2 3.82Å; H79-F83 AromaticContact NE2-CE2 3.7Å; H79-F83 WeakPolarHBondContact O-CD2 3.3Å; L80-F83 PolarHBondContact O-N 2.84Å; L80-F83 VanDerWaalsContact O-N 3.15Å; F83-A87 PolarHBondContact O-N 3.13Å; F83-L90 HydrophobicContact CD1-CD1 3.94Å; F83-V98 HydrophobicContact CD1-CG1 4.17Å; F83-V122 HydrophobicContact CB-CG2 4.12Å; F83-A158 HydrophobicContact CZ-CB 4.3Å; F83-V186 HydrophobicContact CE1-CB 4.47Å; F83-V186 HydrophobicContact CE1-CG2 4.28Å; F83-V186 HydrophobicContact CZ-CG2 4.02Å
84	V	98.8	Very high	98.1	Very high	11 Å²	11	52.9 Å²	52.9	7%	0.067	28%	0.278	C	S	.	.	H	α-helix	trans	-64.4	-45.5	176.3	173	0	0	0	0	111.3	L80 P81 G82 Q86 G117 A118 K121 V122	L80-V84 HydrophobicContact CD1-CG2 3.92Å; L80-V84 HydrophobicContact CG-CG2 4.23Å; L80-V84 WeakPolarHBondContact O-CG2 3.47Å; L80-V84 PolarHBondContact O-N 2.99Å; P81-V84 PolarHBondContact O-N 3Å; G82-V84 PolarHBondContact O-N 3.29Å; V84-Q86 VanDerWaalsContact C-N 3.34Å; V84-G117 WeakPolarHBondContact CG1-O 3.48Å; V84-A118 HydrophobicContact CG2-CB 4.29Å; V84-K121 HydrophobicContact CG1-CD 3.74Å; V84-V122 HydrophobicContact CG2-CG2 4.02Å
85	Q	98.6	Very high	98.3	Very high	157 Å²	157	52 Å²	52	73%	0.734	27%	0.268	S	S	*	.	H	α-helix	trans	-66.5	-38.3	179.9	-71.3	169.8	22.6	0	0	111.6	P81 G82	P81-Q85 WeakPolarHBondContact O-CB 3.3Å; P81-Q85 VanDerWaalsContact O-CG 3.23Å; P81-Q85 WeakPolarHBondContact O-CG 3.31Å; P81-Q85 PolarHBondContact O-N 2.78Å; G82-Q85 PolarHBondContact O-N 2.96Å
86	Q	98.4	Very high	98.4	Very high	45 Å²	45	58 Å²	58	21%	0.21	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	5.2	-176.3	-68.5	-179.5	-43.5	0	0	114.1	G82 V84 Q88 E89 L90 S183 L187	G82-Q86 WeakPolarHBondContact O-CB 3.11Å; G82-Q86 WeakPolarHBondContact O-CG 3.47Å; G82-Q86 PolarHBondContact O-N 3.42Å; V84-Q86 VanDerWaalsContact C-N 3.34Å; Q86-Q88 VanDerWaalsContact C-N 3.28Å; Q86-Q88 PolarHBondContact O-N 2.79Å; Q86-E89 PolarHBondContact O-N 2.9Å; Q86-E89 VanDerWaalsContact O-N 3.08Å; Q86-L90 WeakPolarHBondContact O-CG 3.33Å; Q86-L90 PolarHBondContact O-N 3.04Å; Q86-S183 VanDerWaalsContact OE1-C 3.31Å; Q86-S183 PolarHBondContact OE1-OG 2.91Å; Q86-L187 HydrophobicContact CB-CD1 3.91Å; Q86-L187 HydrophobicContact CG-CD1 3.93Å; Q86-L187 VanDerWaalsContact NE2-CD1 3.29Å
87	A	98.3	Very high	98.4	Very high	2 Å²	2	58.1 Å²	58.1	2%	0.017	29%	0.294	C	S	.	.	H	α-helix	trans	-56.5	-38.6	-176.2	0	0	0	0	0	113.3	F83 R91 K121	F83-A87 PolarHBondContact O-N 3.13Å; A87-R91 WeakPolarHBondContact O-CD 3.4Å; A87-R91 VanDerWaalsContact O-CG 3.27Å; A87-R91 WeakPolarHBondContact O-CG 3.37Å; A87-R91 PolarHBondContact O-N 3.43Å; A87-R91 VanDerWaalsContact O-N 3.13Å; A87-K121 HydrophobicContact CB-CB 3.76Å; A87-K121 HydrophobicContact CB-CD 4.45Å; A87-K121 HydrophobicContact CB-CG 4Å
88	Q	98	Very high	98.4	Very high	163 Å²	163	50.4 Å²	50.4	76%	0.762	26%	0.261	S	S	*	.	H	α-helix	trans	-69.5	-39.9	177.7	-176.1	175.2	1.4	0	0	112.2	Q86 R91 S92	Q86-Q88 VanDerWaalsContact C-N 3.28Å; Q86-Q88 PolarHBondContact O-N 2.79Å; Q88-R91 WeakPolarHBondContact O-CB 3.41Å; Q88-R91 PolarHBondContact O-N 3.29Å; Q88-S92 PolarHBondContact O-N 2.96Å
89	E	98.4	Very high	98.5	Very high	94 Å²	94	47.4 Å²	47.4	44%	0.439	24%	0.243	S	C	.	.	H	α-helix	trans	-67.1	-45	178.5	-169.5	-178.9	170	0	0	111	Q86 R91 S92 K93 L187	Q86-E89 PolarHBondContact O-N 2.9Å; Q86-E89 VanDerWaalsContact O-N 3.08Å; E89-R91 VanDerWaalsContact C-N 3.27Å; E89-R91 PolarHBondContact O-N 2.79Å; E89-S92 WeakPolarHBondContact O-CB 3.43Å; E89-S92 PolarHBondContact O-N 2.83Å; E89-S92 VanDerWaalsContact O-N 3.1Å; E89-S92 PolarHBondContact O-OG 3.46Å; E89-K93 PolarHBondContact O-N 2.79Å; E89-K93 VanDerWaalsContact O-N 3.11Å; E89-L187 HydrophobicContact CB-CD2 4.29Å; E89-L187 HydrophobicContact CG-CD1 4.37Å; E89-L187 HydrophobicContact CG-CD2 3.85Å
90	L	98.5	Very high	98.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-53.6	-46.2	172.8	-73.2	166.8	0	0	0	110.9	F83 Q86 S92 K93 G94 I95 V98 V186 L187 L190	F83-L90 HydrophobicContact CD1-CD1 3.94Å; Q86-L90 WeakPolarHBondContact O-CG 3.33Å; Q86-L90 PolarHBondContact O-N 3.04Å; L90-S92 PolarHBondContact O-N 3.35Å; L90-K93 CarbonylContact O-C 3.52Å; L90-K93 PolarHBondContact O-N 3.16Å; L90-K93 VanDerWaalsContact O-N 3.14Å; L90-G94 PolarHBondContact O-N 3.28Å; L90-I95 HydrophobicContact CB-CB 4.07Å; L90-I95 HydrophobicContact CB-CG1 4.19Å; L90-I95 HydrophobicContact CB-CG2 4.35Å; L90-I95 HydrophobicContact CD2-CG1 4.19Å; L90-I95 VanDerWaalsContact O-CB 3.25Å; L90-I95 WeakPolarHBondContact O-CB 3.17Å; L90-I95 WeakPolarHBondContact O-CG1 3.01Å; L90-I95 PolarHBondContact O-N 3.45Å; L90-I95 VanDerWaalsContact O-N 3.08Å; L90-V98 HydrophobicContact CD1-CG2 4.19Å; L90-V186 HydrophobicContact CD2-CG1 4.39Å; L90-L187 HydrophobicContact CD2-CD2 3.6Å; L90-L187 HydrophobicContact CD2-CG 3.81Å; L90-L187 HydrophobicContact CG-CD2 3.92Å; L90-L187 HydrophobicContact CG-CG 4.24Å; L90-L190 HydrophobicContact CD2-CD1 3.66Å
91	R	98	Very high	98.5	Very high	117 Å²	117	47.5 Å²	47.5	44%	0.442	24%	0.243	S	C	.	.	H	α-helix	trans	-62.1	-42.2	176.5	-75.3	169.1	-176.7	156.4	3.6	113.2	A87 Q88 E89 K93 G94 I95 G120	A87-R91 WeakPolarHBondContact O-CD 3.4Å; A87-R91 VanDerWaalsContact O-CG 3.27Å; A87-R91 WeakPolarHBondContact O-CG 3.37Å; A87-R91 PolarHBondContact O-N 3.43Å; A87-R91 VanDerWaalsContact O-N 3.13Å; Q88-R91 WeakPolarHBondContact O-CB 3.41Å; Q88-R91 PolarHBondContact O-N 3.29Å; E89-R91 VanDerWaalsContact C-N 3.27Å; E89-R91 PolarHBondContact O-N 2.79Å; R91-K93 PolarHBondContact O-N 2.88Å; R91-G94 PolarHBondContact O-N 2.97Å; R91-I95 WeakPolarHBondContact CA-O 3.4Å; R91-I95 WeakPolarHBondContact CG-O 3.38Å; R91-G120 PolarHBondContact NH1-O 3.09Å; R91-G120 VanDerWaalsContact NH1-O 3.12Å; R91-G120 PolarHBondContact NH2-O 3.15Å
92	S	98.2	Very high	98.5	Very high	95 Å²	95	46.6 Å²	46.6	66%	0.664	24%	0.237	S	C	*	.	H	α-helix	trans	-61.5	-25.7	176.7	78.1	0	0	0	0	112.6	Q88 E89 L90 G94	Q88-S92 PolarHBondContact O-N 2.96Å; E89-S92 WeakPolarHBondContact O-CB 3.43Å; E89-S92 PolarHBondContact O-N 2.83Å; E89-S92 VanDerWaalsContact O-N 3.1Å; E89-S92 PolarHBondContact O-OG 3.46Å; L90-S92 PolarHBondContact O-N 3.35Å; S92-G94 VanDerWaalsContact C-N 3.33Å
93	K	98.1	Very high	98.5	Very high	85 Å²	85	46 Å²	46	37%	0.37	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	12	173.4	-72.2	-174.3	157.4	-134.9	0	114.1	E89 L90 R91 L187 L190	E89-K93 PolarHBondContact O-N 2.79Å; E89-K93 VanDerWaalsContact O-N 3.11Å; L90-K93 CarbonylContact O-C 3.52Å; L90-K93 PolarHBondContact O-N 3.16Å; L90-K93 VanDerWaalsContact O-N 3.14Å; R91-K93 PolarHBondContact O-N 2.88Å; K93-L187 HydrophobicContact CD-CD2 3.89Å; K93-L187 PolarHBondContact NZ-O 3.07Å; K93-L190 HydrophobicContact CB-CB 4.45Å; K93-L190 HydrophobicContact CB-CD1 4.13Å; K93-L190 HydrophobicContact CD-CB 3.97Å; K93-L190 HydrophobicContact CD-CD1 4.25Å; K93-L190 PolarHBondContact NZ-OXT 3.45Å
94	G	97.8	Very high	98.5	Very high	38 Å²	38	47.1 Å²	47.1	39%	0.392	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.3	9.6	174.7	0	0	0	0	0	115.4	L90 R91 S92 Q96	L90-G94 PolarHBondContact O-N 3.28Å; R91-G94 PolarHBondContact O-N 2.97Å; S92-G94 VanDerWaalsContact C-N 3.33Å; G94-Q96 PolarHBondContact O-N 3.36Å
95	I	98.6	Very high	98.5	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	25%	0.249	C	C	.	.			trans	-73.6	113.5	168.9	-59.6	-52.5	0	0	0	109.1	K61 V63 L90 R91 E97 V98 L160 L190	K61-I95 HydrophobicContact CD-CD1 4.19Å; K61-I95 HydrophobicContact CG-CD1 3.77Å; V63-I95 HydrophobicContact CG2-CD1 4.04Å; V63-I95 HydrophobicContact CG2-CG1 4.21Å; V63-I95 HydrophobicContact CG2-CG2 4.06Å; L90-I95 HydrophobicContact CB-CB 4.07Å; L90-I95 HydrophobicContact CB-CG1 4.19Å; L90-I95 HydrophobicContact CB-CG2 4.35Å; L90-I95 HydrophobicContact CD2-CG1 4.19Å; L90-I95 VanDerWaalsContact O-CB 3.25Å; L90-I95 WeakPolarHBondContact O-CB 3.17Å; L90-I95 WeakPolarHBondContact O-CG1 3.01Å; L90-I95 PolarHBondContact O-N 3.45Å; L90-I95 VanDerWaalsContact O-N 3.08Å; R91-I95 WeakPolarHBondContact CA-O 3.4Å; R91-I95 WeakPolarHBondContact CG-O 3.38Å; I95-E97 VanDerWaalsContact CG2-O 3.29Å; I95-E97 WeakPolarHBondContact CG2-O 3.4Å; I95-V98 HydrophobicContact CG2-CG2 3.55Å; I95-L160 HydrophobicContact CD1-CD1 3.74Å; I95-L190 HydrophobicContact CD1-CD1 3.83Å; I95-L190 HydrophobicContact CD1-CD2 3.67Å; I95-L190 HydrophobicContact CD1-CG 4.41Å; I95-L190 HydrophobicContact CG1-CD1 3.49Å; I95-L190 VanDerWaalsContact CG1-CD1 3.49Å; I95-L190 HydrophobicContact CG1-CD2 4.32Å
96	Q	98.6	Very high	98.5	Very high	126 Å²	126	42 Å²	42	59%	0.589	21%	0.214	S	C	*	.			trans	-91.9	-22.6	-178.4	-63.2	175.3	73	0	0	112.6	K60 K61 G94	K60-Q96 HydrophobicContact CB-CB 4.31Å; K60-Q96 HydrophobicContact CG-CB 4.44Å; K61-Q96 PolarHBondContact O-N 3.02Å; G94-Q96 PolarHBondContact O-N 3.36Å
97	E	98.5	Very high	98.5	Very high	21 Å²	21	45.9 Å²	45.9	10%	0.098	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	132.9	-176.2	-173.1	65.3	-96.3	0	0	110.1	L56 F57 K60 K61 G62 V63 I95 R123	L56-E97 HydrophobicContact CD1-CG 4.14Å; L56-E97 HydrophobicContact CG-CG 4.43Å; F57-E97 HydrophobicContact CD1-CB 3.87Å; F57-E97 HydrophobicContact CD1-CG 3.91Å; F57-E97 HydrophobicContact CE1-CB 3.72Å; F57-E97 HydrophobicContact CE1-CG 3.52Å; F57-E97 HydrophobicContact CZ-CG 4.25Å; K60-E97 HydrophobicContact CD-CB 4.4Å; K60-E97 IonicContact NZ-OE2 2.67Å; K61-E97 PolarHBondContact O-N 2.69Å; G62-E97 CarbonylContact C-O 3.58Å; G62-E97 WeakPolarHBondContact CA-O 3.43Å; V63-E97 PolarHBondContact N-O 2.93Å; I95-E97 VanDerWaalsContact CG2-O 3.29Å; I95-E97 WeakPolarHBondContact CG2-O 3.4Å; E97-R123 WeakPolarHBondContact OE1-CD 3.37Å; E97-R123 IonicContact OE2-NH1 2.68Å
98	V	98.8	Very high	98.5	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.03	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	120.8	173.9	-175.8	0	0	0	0	107.5	V63 F65 F83 L90 I95 V122 R123	V63-V98 WeakPolarHBondContact O-CA 3.46Å; F65-V98 HydrophobicContact CD1-CG1 4.43Å; F65-V98 HydrophobicContact CE1-CG1 4.04Å; F83-V98 HydrophobicContact CD1-CG1 4.17Å; L90-V98 HydrophobicContact CD1-CG2 4.19Å; I95-V98 HydrophobicContact CG2-CG2 3.55Å; V98-V122 HydrophobicContact CG1-CG1 4.3Å; V98-V122 HydrophobicContact CG1-CG2 3.93Å; V98-V122 CarbonylContact O-C 3.5Å; V98-V122 WeakPolarHBondContact O-CA 3.29Å; V98-R123 PolarHBondContact O-N 3.32Å
99	A	98.9	Very high	98.6	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	134.8	-177.8	0	0	0	0	0	111.7	L56 F57 V63 L64 F65 R123 L125	L56-A99 HydrophobicContact CD2-CB 4.17Å; F57-A99 HydrophobicContact CZ-CB 4.35Å; V63-A99 PolarHBondContact O-N 3.1Å; L64-A99 WeakPolarHBondContact CA-O 3.23Å; L64-A99 HydrophobicContact CD1-CB 3.96Å; F65-A99 VanDerWaalsContact CD1-O 3.23Å; F65-A99 WeakPolarHBondContact CD1-O 3.42Å; F65-A99 PolarHBondContact N-O 3.12Å; A99-R123 CarbonylContact C-O 3.59Å; A99-R123 WeakPolarHBondContact CA-O 3.4Å; A99-R123 HydrophobicContact CB-CB 4.23Å; A99-L125 HydrophobicContact CB-CD1 3.79Å; A99-L125 HydrophobicContact CB-CG 4.32Å
100	C	98.9	Very high	98.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	129.4	168.2	-175.9	0	0	0	0	109	F65 L80 V122 R123 M124 L125	F65-C100 HydrophobicContact CD2-CB 4.34Å; F65-C100 HydrophobicContact CE1-CB 3.86Å; F65-C100 HydrophobicContact CE2-CB 3.63Å; F65-C100 WeakPolarHBondContact CE2-SG 3.46Å; F65-C100 HydrophobicContact CZ-CB 3.37Å; F65-C100 CarbonylContact O-C 3.41Å; F65-C100 VanDerWaalsContact O-CA 3.3Å; F65-C100 WeakPolarHBondContact O-CA 3.45Å; L80-C100 HydrophobicContact CD1-CB 4.45Å; C100-V122 HydrophobicContact CB-CG1 3.83Å; C100-R123 PolarHBondContact N-O 3.28Å; C100-M124 HydrophobicContact CB-CE 4.05Å; C100-M124 HydrophobicContact CB-SD 3.73Å; C100-L125 WeakPolarHBondContact O-CB 3.42Å; C100-L125 PolarHBondContact O-N 2.85Å
101	I	98.9	Very high	98.6	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	141.8	174.1	-169.8	167.7	0	0	0	111.8	V42 M53 L64 F65 A66 V67 L125 D127 F132	V42-I101 HydrophobicContact CG1-CD1 3.86Å; M53-I101 HydrophobicContact CE-CD1 4.47Å; M53-I101 HydrophobicContact SD-CD1 4.45Å; L64-I101 HydrophobicContact CD1-CB 4.18Å; L64-I101 HydrophobicContact CD1-CG2 3.84Å; L64-I101 HydrophobicContact CG-CG2 4.37Å; F65-I101 PolarHBondContact O-N 3.32Å; A66-I101 VanDerWaalsContact CA-O 3.23Å; A66-I101 WeakPolarHBondContact CA-O 3.38Å; A66-I101 HydrophobicContact CB-CG2 3.64Å; V67-I101 PolarHBondContact N-O 2.71Å; V67-I101 VanDerWaalsContact N-O 3.11Å; I101-L125 WeakPolarHBondContact CA-O 3.49Å; I101-L125 HydrophobicContact CB-CB 4.16Å; I101-L125 HydrophobicContact CG1-CB 4.14Å; I101-D127 HydrophobicContact CD1-CB 4.1Å; I101-D127 HydrophobicContact CG1-CB 4.13Å; I101-F132 HydrophobicContact CD1-CB 4.11Å; I101-F132 HydrophobicContact CD1-CD1 3.55Å; I101-F132 HydrophobicContact CD1-CE1 4.16Å; I101-F132 HydrophobicContact CD1-CG 3.89Å
102	S	98.8	Very high	98.7	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.007	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	154.6	175	-170.9	0	0	0	0	111.4	V67 G69 N104 M109 L125 D127	V67-S102 PolarHBondContact O-OG 3.34Å; G69-S102 WeakPolarHBondContact CA-OG 3.46Å; S102-N104 PolarHBondContact O-N 2.99Å; S102-N104 PolarHBondContact OG-OD1 2.82Å; S102-M109 WeakPolarHBondContact CB-SD 3.42Å; S102-L125 PolarHBondContact N-O 2.89Å; S102-L125 VanDerWaalsContact N-O 3.17Å; S102-D127 PolarHBondContact O-N 3.3Å
103	V	98.8	Very high	98.7	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.018	17%	0.168	C	C	.	.	S	Bend	trans	-78.7	77	167.1	-173.4	0	0	0	0	109.3	D127 A133 K152	V103-D127 WeakPolarHBondContact CA-O 3.27Å; V103-D127 WeakPolarHBondContact CG1-O 3.27Å; V103-A133 HydrophobicContact CG2-CB 4.25Å; V103-K152 WeakPolarHBondContact CG1-O 3.34Å
104	N	98.8	Very high	98.7	Very high	22 Å²	22	33.2 Å²	33.2	12%	0.118	18%	0.183	C	C	.	.	S	Bend	trans	-143.3	161.7	175.6	-83	102.1	0	0	0	108	G69 A70 S102 V108 M109 A126 P128	G69-N104 WeakPolarHBondContact CA-OD1 3.41Å; A70-N104 PolarHBondContact N-OD1 2.73Å; S102-N104 PolarHBondContact O-N 2.99Å; S102-N104 PolarHBondContact OG-OD1 2.82Å; N104-V108 HydrophobicContact CB-CG1 4.31Å; N104-M109 HydrophobicContact CB-CG 3.88Å; N104-M109 HydrophobicContact CB-SD 4.16Å; N104-A126 WeakPolarHBondContact O-CB 3.37Å; N104-P128 WeakPolarHBondContact O-CA 3.42Å
105	D	98.8	Very high	98.8	Very high	60 Å²	60	37.6 Å²	37.6	32%	0.321	19%	0.193	S	C	.	.			trans	-71.4	162.2	168.5	63	90.3	0	0	0	112.1	F107 V108 M109 A126	D105-F107 VanDerWaalsContact C-N 3.3Å; D105-F107 PolarHBondContact O-N 3.37Å; D105-F107 WeakPolarHBondContact OD1-CB 3.37Å; D105-F107 WeakPolarHBondContact OD1-CD2 3.46Å; D105-F107 PolarHBondContact OD1-N 3.04Å; D105-F107 VanDerWaalsContact OD1-N 3.11Å; D105-V108 PolarHBondContact O-N 2.77Å; D105-V108 WeakPolarHBondContact OD1-CG2 3.49Å; D105-V108 PolarHBondContact OD1-N 2.84Å; D105-V108 WeakPolarHBondContact OD2-CG2 3.4Å; D105-M109 PolarHBondContact O-N 2.97Å; D105-M109 VanDerWaalsContact O-N 3.09Å; D105-A126 VanDerWaalsContact C-CB 3.5Å
106	A	98.7	Very high	98.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.7	-35.2	-177.2	0	0	0	0	0	113.2	Q43 E46 P47 M109 A110 A126	Q43-A106 HydrophobicContact CB-CB 3.88Å; E46-A106 VanDerWaalsContact C-CB 3.48Å; P47-A106 HydrophobicContact CG-CB 4.46Å; A106-M109 PolarHBondContact O-N 3.28Å; A106-A110 VanDerWaalsContact O-CB 3.27Å; A106-A110 WeakPolarHBondContact O-CB 3.48Å; A106-A110 PolarHBondContact O-N 2.87Å; A106-A126 VanDerWaalsContact CA-CB 3.48Å; A106-A126 HydrophobicContact CB-CB 4.1Å
107	F	98.8	Very high	98.8	Very high	127 Å²	127	35.1 Å²	35.1	56%	0.557	19%	0.191	S	C	*	.	H	α-helix	trans	-66.6	-46.2	-178.1	-48.1	-68.4	0	0	0	110.8	P47 D105 A110 A111	P47-F107 HydrophobicContact CG-CD2 4.45Å; P47-F107 HydrophobicContact CG-CE1 3.97Å; P47-F107 HydrophobicContact CG-CE2 3.6Å; P47-F107 HydrophobicContact CG-CZ 3.33Å; D105-F107 VanDerWaalsContact C-N 3.3Å; D105-F107 PolarHBondContact O-N 3.37Å; D105-F107 WeakPolarHBondContact OD1-CB 3.37Å; D105-F107 WeakPolarHBondContact OD1-CD2 3.46Å; D105-F107 PolarHBondContact OD1-N 3.04Å; D105-F107 VanDerWaalsContact OD1-N 3.11Å; F107-A110 PolarHBondContact O-N 2.79Å; F107-A111 WeakPolarHBondContact O-CB 3.21Å; F107-A111 PolarHBondContact O-N 3.45Å
108	V	98.8	Very high	98.8	Very high	43 Å²	43	34.1 Å²	34.1	26%	0.261	19%	0.186	S	C	.	.	H	α-helix	trans	-63.5	-44.7	176.8	172.2	0	0	0	0	111	A70 F71 N104 D105 A110 A111 W112	A70-V108 HydrophobicContact CB-CG1 3.72Å; F71-V108 HydrophobicContact CD2-CG1 4.03Å; F71-V108 HydrophobicContact CE2-CG1 3.9Å; N104-V108 HydrophobicContact CB-CG1 4.31Å; D105-V108 PolarHBondContact O-N 2.77Å; D105-V108 WeakPolarHBondContact OD1-CG2 3.49Å; D105-V108 PolarHBondContact OD1-N 2.84Å; D105-V108 WeakPolarHBondContact OD2-CG2 3.4Å; V108-A110 VanDerWaalsContact C-N 3.34Å; V108-A110 PolarHBondContact O-N 3.4Å; V108-A111 PolarHBondContact O-N 3.09Å; V108-W112 VanDerWaalsContact O-CB 3.28Å; V108-W112 WeakPolarHBondContact O-CB 3.36Å; V108-W112 PolarHBondContact O-N 3.44Å
109	M	98.9	Very high	98.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.7	-39.9	177.5	-78	-57.4	-69.1	0	0	112.7	A70 S102 N104 D105 A106 W112 G113 M124 L125 A126	A70-M109 HydrophobicContact CB-SD 4.05Å; S102-M109 WeakPolarHBondContact CB-SD 3.42Å; N104-M109 HydrophobicContact CB-CG 3.88Å; N104-M109 HydrophobicContact CB-SD 4.16Å; D105-M109 PolarHBondContact O-N 2.97Å; D105-M109 VanDerWaalsContact O-N 3.09Å; A106-M109 PolarHBondContact O-N 3.28Å; M109-W112 HydrophobicContact CE-CE3 4.07Å; M109-W112 HydrophobicContact CE-CZ3 4.14Å; M109-W112 HydrophobicContact SD-CE3 3.96Å; M109-W112 HydrophobicContact SD-CZ3 4.35Å; M109-G113 PolarHBondContact O-N 3.11Å; M109-M124 HydrophobicContact CE-CB 4.3Å; M109-M124 HydrophobicContact CE-CE 3.76Å; M109-L125 WeakPolarHBondContact CE-O 3.38Å; M109-A126 HydrophobicContact CB-CB 4.17Å; M109-A126 HydrophobicContact CG-CB 3.86Å
110	A	98.8	Very high	98.7	Very high	36 Å²	36	43 Å²	43	30%	0.298	25%	0.251	S	S	.	.	H	α-helix	trans	-65.4	-48.1	177.3	0	0	0	0	0	112	A106 F107 V108 W112 G113 K114	A106-A110 VanDerWaalsContact O-CB 3.27Å; A106-A110 WeakPolarHBondContact O-CB 3.48Å; A106-A110 PolarHBondContact O-N 2.87Å; F107-A110 PolarHBondContact O-N 2.79Å; V108-A110 VanDerWaalsContact C-N 3.34Å; V108-A110 PolarHBondContact O-N 3.4Å; A110-W112 VanDerWaalsContact C-N 3.35Å; A110-W112 PolarHBondContact O-N 2.91Å; A110-G113 PolarHBondContact O-N 3.32Å; A110-K114 PolarHBondContact O-N 3.13Å
111	A	98.9	Very high	98.7	Very high	53 Å²	53	47.4 Å²	47.4	44%	0.438	27%	0.269	S	S	.	.	H	α-helix	trans	-61	-44.3	178.2	0	0	0	0	0	111.8	F107 V108 K114 E115	F107-A111 WeakPolarHBondContact O-CB 3.21Å; F107-A111 PolarHBondContact O-N 3.45Å; V108-A111 PolarHBondContact O-N 3.09Å; A111-K114 PolarHBondContact O-N 3.09Å; A111-E115 PolarHBondContact O-N 3.5Å
112	W	98.8	Very high	98.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.9	-41.9	177.9	-173	49.3	0	0	0	112.4	V67 A70 F71 C75 S76 L80 V108 M109 A110 K114 E115 H116 M124	V67-W112 HydrophobicContact CG1-CH2 4.34Å; V67-W112 HydrophobicContact CG2-CH2 3.91Å; V67-W112 HydrophobicContact CG2-CZ3 3.89Å; A70-W112 HydrophobicContact CB-CB 3.95Å; A70-W112 HydrophobicContact CB-CD2 3.66Å; A70-W112 HydrophobicContact CB-CE3 3.67Å; A70-W112 HydrophobicContact CB-CG 3.77Å; A70-W112 HydrophobicContact CB-CZ3 4.45Å; F71-W112 AromaticContact CD1-CD1 3.94Å; F71-W112 HydrophobicContact CD2-CB 4.17Å; F71-W112 HydrophobicContact CD2-CG 4.25Å; F71-W112 HydrophobicContact CE2-CB 3.59Å; F71-W112 HydrophobicContact CE2-CG 4.12Å; F71-W112 HydrophobicContact CZ-CB 3.81Å; F71-W112 HydrophobicContact CZ-CG 4.33Å; C75-W112 HydrophobicContact CB-CH2 4.06Å; C75-W112 HydrophobicContact CB-CZ2 3.89Å; S76-W112 PolarHBondContact OG-NE1 2.85Å; L80-W112 HydrophobicContact CB-CH2 3.7Å; L80-W112 HydrophobicContact CB-CZ2 3.82Å; L80-W112 HydrophobicContact CD2-CD2 3.92Å; L80-W112 HydrophobicContact CD2-CE3 3.97Å; L80-W112 HydrophobicContact CD2-CH2 3.58Å; L80-W112 HydrophobicContact CD2-CZ2 3.51Å; L80-W112 HydrophobicContact CD2-CZ3 3.82Å; L80-W112 HydrophobicContact CG-CH2 4.22Å; L80-W112 HydrophobicContact CG-CZ2 4.32Å; V108-W112 VanDerWaalsContact O-CB 3.28Å; V108-W112 WeakPolarHBondContact O-CB 3.36Å; V108-W112 PolarHBondContact O-N 3.44Å; M109-W112 HydrophobicContact CE-CE3 4.07Å; M109-W112 HydrophobicContact CE-CZ3 4.14Å; M109-W112 HydrophobicContact SD-CE3 3.96Å; M109-W112 HydrophobicContact SD-CZ3 4.35Å; A110-W112 VanDerWaalsContact C-N 3.35Å; A110-W112 PolarHBondContact O-N 2.91Å; W112-K114 VanDerWaalsContact C-N 3.34Å; W112-K114 PolarHBondContact O-N 3.42Å; W112-E115 PolarHBondContact O-N 3.03Å; W112-H116 AromaticContact CD1-CD2 3.45Å; W112-H116 VanDerWaalsContact CD1-CD2 3.45Å; W112-H116 AromaticContact CD1-NE2 3.58Å; W112-H116 AromaticContact CE2-CD2 3.76Å; W112-H116 AromaticContact CE2-NE2 3.92Å; W112-H116 AromaticContact NE1-CD2 3.12Å; W112-H116 PolarHBondContact NE1-CD2 3.11Å; W112-H116 AromaticContact NE1-NE2 3.01Å; W112-H116 PolarHBondContact NE1-NE2 3.15Å; W112-H116 PolarHBondContact O-CD2 2.86Å; W112-H116 VanDerWaalsContact O-CD2 3.31Å; W112-H116 PolarHBondContact O-N 3.22Å; W112-M124 HydrophobicContact CD2-CE 4.28Å; W112-M124 HydrophobicContact CE3-CE 3.41Å; W112-M124 VanDerWaalsContact CE3-CE 3.41Å; W112-M124 HydrophobicContact CZ3-CE 3.62Å
113	G	98.8	Very high	98.7	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-56.5	-46.7	173	0	0	0	0	0	113.2	M109 A110 H116 G117 A118	M109-G113 PolarHBondContact O-N 3.11Å; A110-G113 PolarHBondContact O-N 3.32Å; G113-H116 CarbonylContact O-C 3.52Å; G113-H116 PolarHBondContact O-N 2.84Å; G113-G117 PolarHBondContact O-N 2.96Å; G113-G117 VanDerWaalsContact O-N 3.11Å; G113-A118 VanDerWaalsContact O-CB 3.32Å; G113-A118 WeakPolarHBondContact O-CB 3.47Å; G113-A118 PolarHBondContact O-N 3.3Å
114	K	98.7	Very high	98.7	Very high	158 Å²	158	51.2 Å²	51.2	69%	0.687	29%	0.285	S	S	*	.	H	α-helix	trans	-62	-44	178.3	-172.6	179.7	-178.3	179.5	0	112	A110 A111 W112 H116 G117	A110-K114 PolarHBondContact O-N 3.13Å; A111-K114 PolarHBondContact O-N 3.09Å; W112-K114 VanDerWaalsContact C-N 3.34Å; W112-K114 PolarHBondContact O-N 3.42Å; K114-H116 PolarHBondContact O-N 2.84Å; K114-G117 PolarHBondContact O-N 3.15Å; K114-G117 VanDerWaalsContact O-N 3.14Å
115	E	98.6	Very high	98.7	Very high	130 Å²	130	50.1 Å²	50.1	61%	0.607	28%	0.279	S	S	*	.	H	α-helix	trans	-58.8	-36	177.7	-178.2	174	150.6	0	0	112.5	F71 A111 W112	F71-E115 WeakPolarHBondContact CE1-OE2 3.4Å; A111-E115 PolarHBondContact O-N 3.5Å; W112-E115 PolarHBondContact O-N 3.03Å
116	H	98.7	Very high	98.7	Very high	39 Å²	39	47.3 Å²	47.3	18%	0.181	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	6.6	179.9	-70.1	-65.5	0	0	0	114.3	S76 L80 W112 G113 K114 A118	S76-H116 WeakPolarHBondContact CB-NE2 3.36Å; S76-H116 PolarHBondContact O-CE1 3.04Å; L80-H116 HydrophobicContact CD2-CB 3.72Å; L80-H116 HydrophobicContact CG-CB 4.21Å; W112-H116 AromaticContact CD1-CD2 3.45Å; W112-H116 VanDerWaalsContact CD1-CD2 3.45Å; W112-H116 AromaticContact CD1-NE2 3.58Å; W112-H116 AromaticContact CE2-CD2 3.76Å; W112-H116 AromaticContact CE2-NE2 3.92Å; W112-H116 AromaticContact NE1-CD2 3.12Å; W112-H116 PolarHBondContact NE1-CD2 3.11Å; W112-H116 AromaticContact NE1-NE2 3.01Å; W112-H116 PolarHBondContact NE1-NE2 3.15Å; W112-H116 PolarHBondContact O-CD2 2.86Å; W112-H116 VanDerWaalsContact O-CD2 3.31Å; W112-H116 PolarHBondContact O-N 3.22Å; G113-H116 CarbonylContact O-C 3.52Å; G113-H116 PolarHBondContact O-N 2.84Å; K114-H116 PolarHBondContact O-N 2.84Å; H116-A118 VanDerWaalsContact C-N 3.32Å; H116-A118 PolarHBondContact O-N 3.03Å
117	G	98.5	Very high	98.7	Very high	36 Å²	36	47.4 Å²	47.4	37%	0.371	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	38.5	178.7	0	0	0	0	0	113.2	V84 G113 K114 D119	V84-G117 WeakPolarHBondContact CG1-O 3.48Å; G113-G117 PolarHBondContact O-N 2.96Å; G113-G117 VanDerWaalsContact O-N 3.11Å; K114-G117 PolarHBondContact O-N 3.15Å; K114-G117 VanDerWaalsContact O-N 3.14Å; G117-D119 VanDerWaalsContact C-N 3.28Å; G117-D119 PolarHBondContact O-N 3.47Å
118	A	98.7	Very high	98.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.251	C	S	.	.			trans	-72.5	-18.7	-179.8	0	0	0	0	0	113.4	V84 G113 H116 G120 K121 V122 M124	V84-A118 HydrophobicContact CG2-CB 4.29Å; G113-A118 VanDerWaalsContact O-CB 3.32Å; G113-A118 WeakPolarHBondContact O-CB 3.47Å; G113-A118 PolarHBondContact O-N 3.3Å; H116-A118 VanDerWaalsContact C-N 3.32Å; H116-A118 PolarHBondContact O-N 3.03Å; A118-G120 PolarHBondContact O-N 2.98Å; A118-K121 CarbonylContact O-C 3.56Å; A118-K121 WeakPolarHBondContact O-CA 3.41Å; A118-K121 WeakPolarHBondContact O-CB 3.23Å; A118-K121 PolarHBondContact O-N 3.23Å; A118-V122 HydrophobicContact CB-CB 4.23Å; A118-V122 PolarHBondContact O-N 3.35Å; A118-M124 HydrophobicContact CB-CG 4.01Å; A118-M124 HydrophobicContact CB-SD 3.86Å
119	D	97.8	Very high	98.6	Very high	123 Å²	123	47.2 Å²	47.2	66%	0.658	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	127.7	-176.3	-66.3	-12	0	0	0	112.3	G117 K121	G117-D119 VanDerWaalsContact C-N 3.28Å; G117-D119 PolarHBondContact O-N 3.47Å; D119-K121 PolarHBondContact O-N 3.05Å; D119-K121 VanDerWaalsContact O-N 3.15Å
120	G	98	Very high	98.6	Very high	70 Å²	70	47.3 Å²	47.3	72%	0.722	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	12.5	-177.6	0	0	0	0	0	114.4	R91 A118	R91-G120 PolarHBondContact NH1-O 3.09Å; R91-G120 VanDerWaalsContact NH1-O 3.12Å; R91-G120 PolarHBondContact NH2-O 3.15Å; A118-G120 PolarHBondContact O-N 2.98Å
121	K	98.6	Very high	98.6	Very high	91 Å²	91	47.6 Å²	47.6	40%	0.396	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.4	-50.2	179.5	-67.8	174.6	-176.3	173.4	0	112.4	V84 A87 A118 D119	V84-K121 HydrophobicContact CG1-CD 3.74Å; A87-K121 HydrophobicContact CB-CB 3.76Å; A87-K121 HydrophobicContact CB-CD 4.45Å; A87-K121 HydrophobicContact CB-CG 4Å; A118-K121 CarbonylContact O-C 3.56Å; A118-K121 WeakPolarHBondContact O-CA 3.41Å; A118-K121 WeakPolarHBondContact O-CB 3.23Å; A118-K121 PolarHBondContact O-N 3.23Å; D119-K121 PolarHBondContact O-N 3.05Å; D119-K121 VanDerWaalsContact O-N 3.15Å
122	V	98.9	Very high	98.5	Very high	7 Å²	7	45 Å²	45	4%	0.042	26%	0.257	C	S	.	.			trans	-135.4	126.5	-178.8	179.9	0	0	0	0	108.9	F65 L80 F83 V84 V98 C100 A118 M124	F65-V122 HydrophobicContact CE1-CG1 3.77Å; F65-V122 HydrophobicContact CZ-CG1 3.9Å; L80-V122 HydrophobicContact CD1-CG1 4.17Å; F83-V122 HydrophobicContact CB-CG2 4.12Å; V84-V122 HydrophobicContact CG2-CG2 4.02Å; V98-V122 HydrophobicContact CG1-CG1 4.3Å; V98-V122 HydrophobicContact CG1-CG2 3.93Å; V98-V122 CarbonylContact O-C 3.5Å; V98-V122 WeakPolarHBondContact O-CA 3.29Å; C100-V122 HydrophobicContact CB-CG1 3.83Å; A118-V122 HydrophobicContact CB-CB 4.23Å; A118-V122 PolarHBondContact O-N 3.35Å; V122-M124 HydrophobicContact CB-SD 4.44Å; V122-M124 HydrophobicContact CG1-SD 3.9Å
123	R	98.8	Very high	98.5	Very high	67 Å²	67	45 Å²	45	25%	0.253	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	137.6	171.6	-69.7	-175	68.5	-173.4	-4.1	110.6	E44 E97 V98 A99 C100	E44-R123 WeakPolarHBondContact OE1-CB 3.43Å; E44-R123 IonicContact OE1-CZ 2.75Å; E44-R123 IonicContact OE1-NE 3.55Å; E44-R123 PolarHBondContact OE1-NE 3.04Å; E44-R123 IonicContact OE1-NH2 3.19Å; E44-R123 IonicContact OE2-CZ 3.55Å; E44-R123 IonicContact OE2-NE 3.72Å; E44-R123 PolarHBondContact OE2-NE 2.96Å; E44-R123 IonicContact OE2-NH2 3.4Å; E44-R123 PolarHBondContact OE2-NH2 2.98Å; E97-R123 WeakPolarHBondContact OE1-CD 3.37Å; E97-R123 IonicContact OE2-NH1 2.68Å; V98-R123 PolarHBondContact O-N 3.32Å; A99-R123 CarbonylContact C-O 3.59Å; A99-R123 WeakPolarHBondContact CA-O 3.4Å; A99-R123 HydrophobicContact CB-CB 4.23Å; C100-R123 PolarHBondContact N-O 3.28Å
124	M	98.9	Very high	98.5	Very high	12 Å²	12	52.3 Å²	52.3	6%	0.059	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	100	-172.4	-58	-58.4	-69	0	0	109.7	L80 C100 M109 W112 A118 V122	L80-M124 HydrophobicContact CD1-CE 4.07Å; L80-M124 HydrophobicContact CD1-SD 3.97Å; L80-M124 HydrophobicContact CD2-CE 3.66Å; L80-M124 HydrophobicContact CD2-SD 4.49Å; C100-M124 HydrophobicContact CB-CE 4.05Å; C100-M124 HydrophobicContact CB-SD 3.73Å; M109-M124 HydrophobicContact CE-CB 4.3Å; M109-M124 HydrophobicContact CE-CE 3.76Å; W112-M124 HydrophobicContact CD2-CE 4.28Å; W112-M124 HydrophobicContact CE3-CE 3.41Å; W112-M124 VanDerWaalsContact CE3-CE 3.41Å; W112-M124 HydrophobicContact CZ3-CE 3.62Å; A118-M124 HydrophobicContact CB-CG 4.01Å; A118-M124 HydrophobicContact CB-SD 3.86Å; V122-M124 HydrophobicContact CB-SD 4.44Å; V122-M124 HydrophobicContact CG1-SD 3.9Å
125	L	98.9	Very high	98.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	131.1	-172.2	-53.5	-179.9	0	0	0	111.3	V42 Q43 E44 V51 M53 L56 A99 C100 I101 S102 M109	V42-L125 HydrophobicContact CG2-CB 4.08Å; V42-L125 HydrophobicContact CG2-CD1 4.22Å; V42-L125 HydrophobicContact CG2-CD2 4.37Å; V42-L125 HydrophobicContact CG2-CG 4.46Å; Q43-L125 CarbonylContact O-C 3.58Å; Q43-L125 WeakPolarHBondContact O-CA 3.23Å; E44-L125 HydrophobicContact CB-CD2 4.08Å; E44-L125 HydrophobicContact CG-CD2 4.33Å; V51-L125 HydrophobicContact CB-CD2 4.47Å; V51-L125 HydrophobicContact CG1-CD2 4.42Å; V51-L125 HydrophobicContact CG2-CD2 4.28Å; M53-L125 HydrophobicContact CE-CD1 4.26Å; M53-L125 HydrophobicContact SD-CD1 3.85Å; L56-L125 HydrophobicContact CD2-CD1 3.62Å; A99-L125 HydrophobicContact CB-CD1 3.79Å; A99-L125 HydrophobicContact CB-CG 4.32Å; C100-L125 WeakPolarHBondContact O-CB 3.42Å; C100-L125 PolarHBondContact O-N 2.85Å; I101-L125 WeakPolarHBondContact CA-O 3.49Å; I101-L125 HydrophobicContact CB-CB 4.16Å; I101-L125 HydrophobicContact CG1-CB 4.14Å; S102-L125 PolarHBondContact N-O 2.89Å; S102-L125 VanDerWaalsContact N-O 3.17Å; M109-L125 WeakPolarHBondContact CE-O 3.38Å
126	A	98.9	Very high	98.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	126.5	176.4	0	0	0	0	0	110.7	V42 Q43 N104 D105 A106 M109 P128	V42-A126 WeakPolarHBondContact CB-O 3.18Å; Q43-A126 HydrophobicContact CB-CB 4.16Å; Q43-A126 PolarHBondContact N-O 3.49Å; Q43-A126 PolarHBondContact O-N 2.73Å; N104-A126 WeakPolarHBondContact O-CB 3.37Å; D105-A126 VanDerWaalsContact C-CB 3.5Å; A106-A126 VanDerWaalsContact CA-CB 3.48Å; A106-A126 HydrophobicContact CB-CB 4.1Å; M109-A126 HydrophobicContact CB-CB 4.17Å; M109-A126 HydrophobicContact CG-CB 3.86Å; A126-P128 HydrophobicContact CB-CG 4.43Å; A126-P128 WeakPolarHBondContact O-CD 3.28Å
127	D	98.8	Very high	98.2	Very high	3 Å²	3	43.4 Å²	43.4	2%	0.016	26%	0.262	C	S	.	.			trans	-112.8	73.1	170.7	179.6	20.9	0	0	0	109.4	V42 I101 S102 V103 T129 G130 A131 F132 A133	V42-D127 HydrophobicContact CG1-CB 4.3Å; I101-D127 HydrophobicContact CD1-CB 4.1Å; I101-D127 HydrophobicContact CG1-CB 4.13Å; S102-D127 PolarHBondContact O-N 3.3Å; V103-D127 WeakPolarHBondContact CA-O 3.27Å; V103-D127 WeakPolarHBondContact CG1-O 3.27Å; D127-T129 PolarHBondContact O-N 3.2Å; D127-G130 PolarHBondContact O-N 2.88Å; D127-G130 PolarHBondContact OD1-N 3.49Å; D127-G130 WeakPolarHBondContact OD2-CA 3.39Å; D127-A131 PolarHBondContact OD1-N 2.96Å; D127-A131 PolarHBondContact OD2-N 2.83Å; D127-F132 HydrophobicContact CB-CB 4.48Å; D127-F132 PolarHBondContact OD1-N 3.45Å; D127-F132 WeakPolarHBondContact OD2-CA 3.3Å; D127-F132 WeakPolarHBondContact OD2-CB 3.48Å; D127-F132 PolarHBondContact OD2-N 2.97Å; D127-A133 PolarHBondContact OD2-N 2.54Å
128	P	98.4	Very high	98.2	Very high	43 Å²	43	41.8 Å²	41.8	28%	0.279	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-26.8	-161.3	-20.2	32.7	0	0	0	113.4	Q43 N104 A126	Q43-P128 HydrophobicContact CG-CG 4.49Å; N104-P128 WeakPolarHBondContact O-CA 3.42Å; A126-P128 HydrophobicContact CB-CG 4.43Å; A126-P128 WeakPolarHBondContact O-CD 3.28Å
129	T	97.5	Very high	98.1	Very high	122 Å²	122	43.6 Å²	43.6	75%	0.748	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-4.2	-179.1	59	0	0	0	0	113.1	D127 A131	D127-T129 PolarHBondContact O-N 3.2Å; T129-A131 PolarHBondContact O-N 3.33Å; T129-A131 WeakPolarHBondContact OG1-CB 3.23Å
130	G	98.2	Very high	98	Very high	3 Å²	3	38.3 Å²	38.3	3%	0.031	23%	0.226	C	C	.	.	S	Bend	trans	69.4	21.5	-171.7	0	0	0	0	0	113.2	D127 A133 K134	D127-G130 PolarHBondContact O-N 2.88Å; D127-G130 PolarHBondContact OD1-N 3.49Å; D127-G130 WeakPolarHBondContact OD2-CA 3.39Å; G130-A133 PolarHBondContact O-N 3.37Å; G130-K134 WeakPolarHBondContact O-CB 3.37Å; G130-K134 PolarHBondContact O-N 3.06Å
131	A	98.2	Very high	97.7	Very high	41 Å²	41	39.4 Å²	39.4	34%	0.339	22%	0.215	S	C	.	.	H	α-helix	trans	-64.6	-42.7	-176.7	0	0	0	0	0	111.3	V40 D127 T129 A135	V40-A131 HydrophobicContact CG1-CB 4.1Å; D127-A131 PolarHBondContact OD1-N 2.96Å; D127-A131 PolarHBondContact OD2-N 2.83Å; T129-A131 PolarHBondContact O-N 3.33Å; T129-A131 WeakPolarHBondContact OG1-CB 3.23Å; A131-A135 VanDerWaalsContact O-CB 3.25Å; A131-A135 WeakPolarHBondContact O-CB 3.22Å; A131-A135 PolarHBondContact O-N 3.04Å
132	F	98.5	Very high	97.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-68.3	-50.7	175.6	178	-94.2	0	0	0	110.4	L37 P38 V40 V42 M53 L64 I101 D127 K134 A135 V136 Y157	L37-F132 HydrophobicContact CD2-CE2 4.5Å; L37-F132 HydrophobicContact CD2-CZ 4.21Å; P38-F132 HydrophobicContact CG-CD2 4.04Å; P38-F132 HydrophobicContact CG-CE2 3.9Å; V40-F132 HydrophobicContact CB-CD2 4.36Å; V40-F132 HydrophobicContact CG1-CB 4.04Å; V42-F132 HydrophobicContact CG1-CB 4.04Å; M53-F132 HydrophobicContact CB-CD2 3.91Å; M53-F132 HydrophobicContact CB-CE2 3.76Å; M53-F132 HydrophobicContact CE-CD2 4.37Å; M53-F132 HydrophobicContact CE-CE2 3.86Å; M53-F132 HydrophobicContact CE-CZ 3.93Å; M53-F132 HydrophobicContact CG-CD2 3.58Å; M53-F132 HydrophobicContact CG-CE2 3.79Å; M53-F132 HydrophobicContact CG-CG 4.35Å; L64-F132 HydrophobicContact CD2-CE1 3.97Å; L64-F132 HydrophobicContact CD2-CZ 3.68Å; I101-F132 HydrophobicContact CD1-CB 4.11Å; I101-F132 HydrophobicContact CD1-CD1 3.55Å; I101-F132 HydrophobicContact CD1-CE1 4.16Å; I101-F132 HydrophobicContact CD1-CG 3.89Å; D127-F132 HydrophobicContact CB-CB 4.48Å; D127-F132 PolarHBondContact OD1-N 3.45Å; D127-F132 WeakPolarHBondContact OD2-CA 3.3Å; D127-F132 WeakPolarHBondContact OD2-CB 3.48Å; D127-F132 PolarHBondContact OD2-N 2.97Å; F132-K134 PolarHBondContact O-N 3.45Å; F132-A135 PolarHBondContact O-N 3.26Å; F132-V136 HydrophobicContact CD1-CG2 4.38Å; F132-V136 HydrophobicContact CD2-CG1 4.46Å; F132-V136 HydrophobicContact CE1-CG1 4.09Å; F132-V136 HydrophobicContact CE1-CG2 4.1Å; F132-V136 HydrophobicContact CE2-CG1 3.95Å; F132-V136 HydrophobicContact CZ-CG1 3.74Å; F132-V136 WeakPolarHBondContact O-CG2 3.39Å; F132-V136 PolarHBondContact O-N 3.02Å; F132-Y157 WeakPolarHBondContact CE1-OH 3.45Å
133	A	98.3	Very high	97.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-55.3	-39.1	-180	0	0	0	0	0	112.3	V103 D127 G130 D137 L138 L139	V103-A133 HydrophobicContact CG2-CB 4.25Å; D127-A133 PolarHBondContact OD2-N 2.54Å; G130-A133 PolarHBondContact O-N 3.37Å; A133-D137 PolarHBondContact O-N 3.17Å; A133-L138 CarbonylContact O-C 3.59Å; A133-L138 PolarHBondContact O-N 2.77Å; A133-L139 HydrophobicContact CB-CD1 3.83Å; A133-L139 PolarHBondContact O-N 3Å
134	K	97.7	Very high	96.8	Very high	153 Å²	153	44.3 Å²	44.3	67%	0.665	26%	0.257	S	S	*	.	H	α-helix	trans	-70.1	-42.4	173.8	-175	179.8	-179.9	-177.4	0	112.7	G130 F132 V136 D137	G130-K134 WeakPolarHBondContact O-CB 3.37Å; G130-K134 PolarHBondContact O-N 3.06Å; F132-K134 PolarHBondContact O-N 3.45Å; K134-V136 PolarHBondContact O-N 2.75Å; K134-D137 PolarHBondContact O-N 3.11Å
135	A	97.2	Very high	96.5	Very high	56 Å²	56	44.9 Å²	44.9	46%	0.463	26%	0.261	S	S	.	.	H	α-helix	trans	-63.4	-29.4	-179.2	0	0	0	0	0	112.9	P38 V40 A131 F132	P38-A135 HydrophobicContact CB-CB 4.23Å; P38-A135 HydrophobicContact CG-CB 3.96Å; V40-A135 HydrophobicContact CG2-CB 3.88Å; A131-A135 VanDerWaalsContact O-CB 3.25Å; A131-A135 WeakPolarHBondContact O-CB 3.22Å; A131-A135 PolarHBondContact O-N 3.04Å; F132-A135 PolarHBondContact O-N 3.26Å
136	V	97.3	Very high	96.3	Very high	5 Å²	5	47.3 Å²	47.3	3%	0.03	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	5.8	174.8	-57.8	0	0	0	0	113.7	P30 I31 P38 F132 K134 L138	P30-V136 WeakPolarHBondContact CA-O 3.46Å; I31-V136 HydrophobicContact CB-CB 3.92Å; I31-V136 HydrophobicContact CB-CG1 4.27Å; I31-V136 HydrophobicContact CD1-CG1 3.97Å; I31-V136 HydrophobicContact CG2-CB 3.83Å; I31-V136 HydrophobicContact CG2-CG1 4.32Å; I31-V136 PolarHBondContact N-O 3.43Å; P38-V136 HydrophobicContact CG-CG1 3.79Å; F132-V136 HydrophobicContact CD1-CG2 4.38Å; F132-V136 HydrophobicContact CD2-CG1 4.46Å; F132-V136 HydrophobicContact CE1-CG1 4.09Å; F132-V136 HydrophobicContact CE1-CG2 4.1Å; F132-V136 HydrophobicContact CE2-CG1 3.95Å; F132-V136 HydrophobicContact CZ-CG1 3.74Å; F132-V136 WeakPolarHBondContact O-CG2 3.39Å; F132-V136 PolarHBondContact O-N 3.02Å; K134-V136 PolarHBondContact O-N 2.75Å; V136-L138 VanDerWaalsContact C-N 3.25Å; V136-L138 HydrophobicContact CB-CD1 4.46Å; V136-L138 HydrophobicContact CG2-CB 3.88Å; V136-L138 HydrophobicContact CG2-CD1 3.84Å; V136-L138 HydrophobicContact CG2-CG 3.95Å; V136-L138 PolarHBondContact O-N 3.37Å
137	D	97	Very high	96.1	Very high	80 Å²	80	55 Å²	55	43%	0.428	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	39.6	-177.5	-169.1	41	0	0	0	113.6	P30 A133 K134	P30-D137 VanDerWaalsContact CD-OD2 3.27Å; P30-D137 WeakPolarHBondContact CD-OD2 3.02Å; A133-D137 PolarHBondContact O-N 3.17Å; K134-D137 PolarHBondContact O-N 3.11Å
138	L	97.4	Very high	95.9	Very high	1 Å²	1	60.1 Å²	60.1	1%	0.005	34%	0.342	C	S	.	.			trans	-119.4	25.3	176.1	-61.1	171.5	0	0	0	112	P30 I31 A133 V136 L140 K155 Y157 I169 V171	P30-L138 HydrophobicContact CB-CD2 3.85Å; I31-L138 HydrophobicContact CG2-CD1 4.05Å; A133-L138 CarbonylContact O-C 3.59Å; A133-L138 PolarHBondContact O-N 2.77Å; V136-L138 VanDerWaalsContact C-N 3.25Å; V136-L138 HydrophobicContact CB-CD1 4.46Å; V136-L138 HydrophobicContact CG2-CB 3.88Å; V136-L138 HydrophobicContact CG2-CD1 3.84Å; V136-L138 HydrophobicContact CG2-CG 3.95Å; V136-L138 PolarHBondContact O-N 3.37Å; L138-L140 PolarHBondContact O-N 2.97Å; L138-K155 HydrophobicContact CD2-CD 4.39Å; L138-K155 WeakPolarHBondContact O-CB 3.5Å; L138-K155 WeakPolarHBondContact O-CG 3.46Å; L138-K155 PolarHBondContact O-N 3.18Å; L138-Y157 HydrophobicContact CB-CD1 4.06Å; L138-Y157 HydrophobicContact CB-CE1 3.68Å; L138-Y157 HydrophobicContact CD1-CD1 3.55Å; L138-Y157 HydrophobicContact CD1-CD2 4.33Å; L138-Y157 HydrophobicContact CD1-CE1 3.45Å; L138-Y157 VanDerWaalsContact CD1-CE1 3.45Å; L138-Y157 HydrophobicContact CD1-CE2 4.3Å; L138-Y157 HydrophobicContact CD1-CG 3.98Å; L138-Y157 HydrophobicContact CG-CD1 4.3Å; L138-Y157 HydrophobicContact CG-CE1 4.17Å; L138-I169 HydrophobicContact CD1-CD1 3.88Å; L138-V171 HydrophobicContact CD2-CG1 4.08Å; L138-V171 HydrophobicContact CD2-CG2 3.86Å
139	L	96.9	Very high	95.8	Very high	38 Å²	38	59.9 Å²	59.9	20%	0.199	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	131.9	171.1	-159.5	72.7	0	0	0	109.6	A133 K152 R153	A133-L139 HydrophobicContact CB-CD1 3.83Å; A133-L139 PolarHBondContact O-N 3Å; L139-K152 HydrophobicContact CD1-CB 4.21Å; L139-K152 HydrophobicContact CD2-CB 4.02Å; L139-K152 HydrophobicContact CD2-CD 3.62Å; L139-K152 HydrophobicContact CD2-CG 4.43Å; L139-K152 HydrophobicContact CG-CB 4.1Å; L139-R153 WeakPolarHBondContact CD1-O 3.48Å
140	L	95	Very high	95.8	Very high	13 Å²	13	57 Å²	57	7%	0.068	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	99.3	171.9	-178.2	62.2	0	0	0	108.1	P68 L138 I145 R153 K155 T176	P68-L140 HydrophobicContact CB-CD2 4.35Å; P68-L140 HydrophobicContact CG-CD2 4.38Å; L138-L140 PolarHBondContact O-N 2.97Å; L140-I145 HydrophobicContact CD1-CG1 4.33Å; L140-I145 HydrophobicContact CD2-CB 4.44Å; L140-I145 HydrophobicContact CD2-CD1 3.74Å; L140-I145 HydrophobicContact CD2-CG1 3.71Å; L140-I145 HydrophobicContact CD2-CG2 4.07Å; L140-I145 HydrophobicContact CG-CB 4.36Å; L140-I145 HydrophobicContact CG-CD1 4.44Å; L140-I145 HydrophobicContact CG-CG1 3.86Å; L140-I145 HydrophobicContact CG-CG2 4.14Å; L140-R153 HydrophobicContact CB-CB 4.44Å; L140-R153 PolarHBondContact N-O 2.98Å; L140-R153 PolarHBondContact O-N 3.04Å; L140-R153 VanDerWaalsContact O-N 3.08Å; L140-K155 HydrophobicContact CB-CG 3.97Å; L140-K155 HydrophobicContact CD1-CG 4.25Å; L140-T176 HydrophobicContact CD2-CG2 3.48Å; L140-T176 VanDerWaalsContact CD2-CG2 3.48Å
141	D	91.3	Very high	95.7	Very high	92 Å²	92	60 Å²	60	49%	0.492	35%	0.348	S	S	.	.			trans	-121.6	72.4	-171.8	-169.1	17.7	0	0	0	109.8	K152	D141-K152 HydrophobicContact CB-CD 4.19Å; D141-K152 VanDerWaalsContact CG-CE 3.47Å; D141-K152 VanDerWaalsContact CG-NZ 3.27Å; D141-K152 VanDerWaalsContact OD1-CD 3.23Å; D141-K152 WeakPolarHBondContact OD1-CD 3.49Å; D141-K152 WeakPolarHBondContact OD1-CE 3.31Å; D141-K152 WeakPolarHBondContact OD1-CG 3.41Å; D141-K152 IonicContact OD1-NZ 3.35Å; D141-K152 PolarHBondContact OD1-NZ 2.94Å; D141-K152 WeakPolarHBondContact OD2-CE 3.48Å; D141-K152 IonicContact OD2-NZ 2.89Å; D141-K152 PolarHBondContact OD2-NZ 3.25Å
142	S	92.2	Very high	95.7	Very high	44 Å²	44	62.6 Å²	62.6	31%	0.308	35%	0.352	S	S	.	.			trans	-123.5	145.7	172.9	70.5	0	0	0	0	110.5	T144 I145 V146	S142-T144 PolarHBondContact O-N 3.31Å; S142-I145 PolarHBondContact O-N 3.01Å; S142-I145 WeakPolarHBondContact OG-CB 3.08Å; S142-I145 WeakPolarHBondContact OG-CG1 3.48Å; S142-I145 PolarHBondContact OG-N 2.89Å; S142-V146 PolarHBondContact O-N 3.12Å
143	D	93.7	Very high	95.6	Very high	128 Å²	128	63.7 Å²	63.7	68%	0.684	36%	0.356	S	S	*	.	H	α-helix	trans	-56.8	-39.7	-178.8	-67.5	-22.5	0	0	0	111.7	I145 V146 Q147	D143-I145 VanDerWaalsContact C-N 3.29Å; D143-I145 PolarHBondContact O-N 3.35Å; D143-V146 PolarHBondContact O-N 2.67Å; D143-Q147 WeakPolarHBondContact O-CB 3.41Å; D143-Q147 VanDerWaalsContact O-CG 3.24Å; D143-Q147 WeakPolarHBondContact O-CG 3.41Å; D143-Q147 PolarHBondContact O-N 2.98Å
144	T	92.8	Very high	95.6	Very high	96 Å²	96	63.8 Å²	63.8	59%	0.589	36%	0.357	S	S	*	.	H	α-helix	trans	-58.4	-41.4	176	-49.4	0	0	0	0	112	S142 Q147 V148	S142-T144 PolarHBondContact O-N 3.31Å; T144-Q147 PolarHBondContact O-N 3.22Å; T144-V148 WeakPolarHBondContact O-CG2 3.5Å; T144-V148 PolarHBondContact O-N 3.3Å
145	I	93.1	Very high	95.7	Very high	25 Å²	25	59.8 Å²	59.8	13%	0.128	34%	0.339	C	S	.	.	H	α-helix	trans	-70.6	-43.2	179.9	-70.4	-69.9	0	0	0	110.6	L140 S142 D143 Q147 V148 L149 R153 T176	L140-I145 HydrophobicContact CD1-CG1 4.33Å; L140-I145 HydrophobicContact CD2-CB 4.44Å; L140-I145 HydrophobicContact CD2-CD1 3.74Å; L140-I145 HydrophobicContact CD2-CG1 3.71Å; L140-I145 HydrophobicContact CD2-CG2 4.07Å; L140-I145 HydrophobicContact CG-CB 4.36Å; L140-I145 HydrophobicContact CG-CD1 4.44Å; L140-I145 HydrophobicContact CG-CG1 3.86Å; L140-I145 HydrophobicContact CG-CG2 4.14Å; S142-I145 PolarHBondContact O-N 3.01Å; S142-I145 WeakPolarHBondContact OG-CB 3.08Å; S142-I145 WeakPolarHBondContact OG-CG1 3.48Å; S142-I145 PolarHBondContact OG-N 2.89Å; D143-I145 VanDerWaalsContact C-N 3.29Å; D143-I145 PolarHBondContact O-N 3.35Å; I145-Q147 VanDerWaalsContact C-N 3.31Å; I145-Q147 PolarHBondContact O-N 3.27Å; I145-V148 PolarHBondContact O-N 2.95Å; I145-L149 HydrophobicContact CG2-CD1 4.27Å; I145-L149 VanDerWaalsContact O-CB 3.31Å; I145-L149 WeakPolarHBondContact O-CB 3.19Å; I145-L149 PolarHBondContact O-N 3.42Å; I145-R153 HydrophobicContact CG2-CB 4.12Å; I145-R153 HydrophobicContact CG2-CG 3.93Å; I145-T176 HydrophobicContact CD1-CG2 4.09Å
146	V	94.1	Very high	95.8	Very high	50 Å²	50	57.5 Å²	57.5	30%	0.303	32%	0.319	S	S	.	.	H	α-helix	trans	-62.8	-39.3	176.4	176.9	0	0	0	0	111.1	S142 D143 V148 G150 K152	S142-V146 PolarHBondContact O-N 3.12Å; D143-V146 PolarHBondContact O-N 2.67Å; V146-V148 PolarHBondContact O-N 3.49Å; V146-G150 CarbonylContact O-C 3.56Å; V146-G150 WeakPolarHBondContact O-CA 3.25Å; V146-G150 PolarHBondContact O-N 3.11Å; V146-K152 HydrophobicContact CG2-CG 4.42Å
147	Q	95.7	Very high	95.8	Very high	162 Å²	162	57.3 Å²	57.3	76%	0.757	32%	0.318	S	S	*	.	H	α-helix	trans	-63.2	-38.3	177.1	-76.5	175.5	4.5	0	0	113.1	D143 T144 I145	D143-Q147 WeakPolarHBondContact O-CB 3.41Å; D143-Q147 VanDerWaalsContact O-CG 3.24Å; D143-Q147 WeakPolarHBondContact O-CG 3.41Å; D143-Q147 PolarHBondContact O-N 2.98Å; T144-Q147 PolarHBondContact O-N 3.22Å; I145-Q147 VanDerWaalsContact C-N 3.31Å; I145-Q147 PolarHBondContact O-N 3.27Å
148	V	93.8	Very high	95.9	Very high	111 Å²	111	53.5 Å²	53.5	67%	0.673	30%	0.297	S	S	*	.	H	α-helix	trans	-86.3	-34	-177.2	176.4	0	0	0	0	112.2	T144 I145 V146	T144-V148 WeakPolarHBondContact O-CG2 3.5Å; T144-V148 PolarHBondContact O-N 3.3Å; I145-V148 PolarHBondContact O-N 2.95Å; V146-V148 PolarHBondContact O-N 3.49Å
149	L	96.3	Very high	95.9	Very high	38 Å²	38	53.5 Å²	53.5	20%	0.199	30%	0.297	C	S	.	.	H	α-helix	trans	-118.1	-0.9	-167.5	-62.6	-177	0	0	0	114.1	T72 I145 N151 R153	T72-L149 HydrophobicContact CG2-CD1 4.44Å; T72-L149 HydrophobicContact CG2-CD2 3.81Å; I145-L149 HydrophobicContact CG2-CD1 4.27Å; I145-L149 VanDerWaalsContact O-CB 3.31Å; I145-L149 WeakPolarHBondContact O-CB 3.19Å; I145-L149 PolarHBondContact O-N 3.42Å; L149-N151 VanDerWaalsContact C-N 3.28Å; L149-N151 PolarHBondContact O-N 3.12Å; L149-N151 PolarHBondContact O-OD1 3.14Å; L149-R153 HydrophobicContact CB-CG 4.2Å; L149-R153 HydrophobicContact CD1-CG 3.86Å; L149-R153 PolarHBondContact O-NH2 3.11Å
150	G	96.9	Very high	96	Very high	62 Å²	62	52.3 Å²	52.3	64%	0.639	29%	0.291	S	S	*	.	S	Bend	trans	84.7	-29.3	172.4	0	0	0	0	0	115.6	V146	V146-G150 CarbonylContact O-C 3.56Å; V146-G150 WeakPolarHBondContact O-CA 3.25Å; V146-G150 PolarHBondContact O-N 3.11Å
151	N	96.1	Very high	96.2	Very high	65 Å²	65	51.7 Å²	51.7	35%	0.348	29%	0.288	S	S	.	.	S	Bend	trans	-146	171.5	-177.1	65.1	-38.1	0	0	0	111.6	L149 R153	L149-N151 VanDerWaalsContact C-N 3.28Å; L149-N151 PolarHBondContact O-N 3.12Å; L149-N151 PolarHBondContact O-OD1 3.14Å; N151-R153 PolarHBondContact OD1-NE 2.68Å
152	K	97.6	Very high	96.6	Very high	95 Å²	95	50.2 Å²	50.2	41%	0.413	28%	0.278	S	S	.	.			trans	-62.4	140.9	172.2	-55	-175.9	-175.4	-158.5	0	109.8	V103 L139 D141 V146	V103-K152 WeakPolarHBondContact CG1-O 3.34Å; L139-K152 HydrophobicContact CD1-CB 4.21Å; L139-K152 HydrophobicContact CD2-CB 4.02Å; L139-K152 HydrophobicContact CD2-CD 3.62Å; L139-K152 HydrophobicContact CD2-CG 4.43Å; L139-K152 HydrophobicContact CG-CB 4.1Å; D141-K152 HydrophobicContact CB-CD 4.19Å; D141-K152 VanDerWaalsContact CG-CE 3.47Å; D141-K152 VanDerWaalsContact CG-NZ 3.27Å; D141-K152 VanDerWaalsContact OD1-CD 3.23Å; D141-K152 WeakPolarHBondContact OD1-CD 3.49Å; D141-K152 WeakPolarHBondContact OD1-CE 3.31Å; D141-K152 WeakPolarHBondContact OD1-CG 3.41Å; D141-K152 IonicContact OD1-NZ 3.35Å; D141-K152 PolarHBondContact OD1-NZ 2.94Å; D141-K152 WeakPolarHBondContact OD2-CE 3.48Å; D141-K152 IonicContact OD2-NZ 2.89Å; D141-K152 PolarHBondContact OD2-NZ 3.25Å; V146-K152 HydrophobicContact CG2-CG 4.42Å
153	R	98.4	Very high	96.8	Very high	23 Å²	23	53 Å²	53	9%	0.087	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	-178.5	-175.1	-64.9	-52.6	-172.3	97.4	-4.7	111.6	P68 G69 L139 L140 I145 L149 N151	P68-R153 VanDerWaalsContact O-CB 3.27Å; P68-R153 WeakPolarHBondContact O-CB 3.37Å; P68-R153 VanDerWaalsContact O-CD 3.25Å; P68-R153 WeakPolarHBondContact O-CD 3.39Å; P68-R153 WeakPolarHBondContact O-CG 3.39Å; P68-R153 PolarHBondContact O-NH1 3.19Å; G69-R153 VanDerWaalsContact CA-NH1 3.25Å; L139-R153 WeakPolarHBondContact CD1-O 3.48Å; L140-R153 HydrophobicContact CB-CB 4.44Å; L140-R153 PolarHBondContact N-O 2.98Å; L140-R153 PolarHBondContact O-N 3.04Å; L140-R153 VanDerWaalsContact O-N 3.08Å; I145-R153 HydrophobicContact CG2-CB 4.12Å; I145-R153 HydrophobicContact CG2-CG 3.93Å; L149-R153 HydrophobicContact CB-CG 4.2Å; L149-R153 HydrophobicContact CD1-CG 3.86Å; L149-R153 PolarHBondContact O-NH2 3.11Å; N151-R153 PolarHBondContact OD1-NE 2.68Å
154	S	98.3	Very high	97	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.021	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	145.7	167.8	-163.8	0	0	0	0	109.7	P68 Y157	P68-S154 VanDerWaalsContact CA-O 3.31Å; P68-S154 WeakPolarHBondContact CA-O 3.4Å; S154-Y157 WeakPolarHBondContact OG-CE1 2.97Å
155	K	98.5	Very high	97.3	Very high	68 Å²	68	44.3 Å²	44.3	30%	0.296	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-61.6	155.1	161.5	-69.8	178.8	-177.4	172.9	0	109.1	L138 L140 Y157 V171 G175	L138-K155 HydrophobicContact CD2-CD 4.39Å; L138-K155 WeakPolarHBondContact O-CB 3.5Å; L138-K155 WeakPolarHBondContact O-CG 3.46Å; L138-K155 PolarHBondContact O-N 3.18Å; L140-K155 HydrophobicContact CB-CG 3.97Å; L140-K155 HydrophobicContact CD1-CG 4.25Å; K155-Y157 HydrophobicContact CB-CD1 4.38Å; K155-Y157 WeakPolarHBondContact O-CD1 3.4Å; K155-Y157 WeakPolarHBondContact O-CE1 3.23Å; K155-V171 HydrophobicContact CB-CG1 4.45Å; K155-V171 HydrophobicContact CD-CG1 4.18Å; K155-G175 CarbonylContact C-O 3.54Å; K155-G175 WeakPolarHBondContact CA-O 3.36Å
156	R	98.7	Very high	97.6	Very high	9 Å²	9	43.1 Å²	43.1	3%	0.034	24%	0.236	C	C	.	.	P	Polyproline II helix	trans	-77.8	126.8	167.6	-164.4	-171.1	-50.9	-73.9	-8.7	109.6	A66 C75 H79 E172 G175 T176 G177 S181	A66-R156 WeakPolarHBondContact O-CA 3.34Å; A66-R156 WeakPolarHBondContact O-CG 3.28Å; C75-R156 PolarHBondContact SG-NH1 3.49Å; C75-R156 PolarHBondContact SG-NH2 3.27Å; C75-R156 VanDerWaalsContact SG-NH2 3.44Å; H79-R156 WeakPolarHBondContact CE1-CG 3.44Å; H79-R156 PolarHBondContact ND1-NH1 2.84Å; R156-E172 HydrophobicContact CB-CB 4.37Å; R156-E172 HydrophobicContact CB-CG 3.83Å; R156-E172 HydrophobicContact CG-CG 4.11Å; R156-E172 PolarHBondContact O-N 3.43Å; R156-G175 PolarHBondContact N-O 3.05Å; R156-T176 PolarHBondContact NE-O 3.46Å; R156-T176 PolarHBondContact NH2-O 3.3Å; R156-G177 WeakPolarHBondContact CD-O 3.48Å; R156-G177 PolarHBondContact NE-O 3.03Å; R156-S181 WeakPolarHBondContact CD-OG 3.17Å; R156-S181 WeakPolarHBondContact CG-OG 3.27Å
157	Y	98.8	Very high	97.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	165.2	174.7	57.8	-99.5	0	0	0	110.5	F65 A66 F132 L138 S154 K155 M159 N170	F65-Y157 CarbonylContact C-O 3.56Å; F65-Y157 VanDerWaalsContact CA-O 3.23Å; F65-Y157 WeakPolarHBondContact CA-O 3.39Å; F65-Y157 WeakPolarHBondContact CB-O 3.32Å; A66-Y157 HydrophobicContact CB-CD1 3.82Å; A66-Y157 HydrophobicContact CB-CD2 4.05Å; A66-Y157 HydrophobicContact CB-CE1 3.34Å; A66-Y157 HydrophobicContact CB-CE2 3.54Å; A66-Y157 HydrophobicContact CB-CG 4.16Å; A66-Y157 WeakPolarHBondContact CB-OH 3.25Å; A66-Y157 PolarHBondContact N-O 2.86Å; A66-Y157 PolarHBondContact O-N 3.35Å; F132-Y157 WeakPolarHBondContact CE1-OH 3.45Å; L138-Y157 HydrophobicContact CB-CD1 4.06Å; L138-Y157 HydrophobicContact CB-CE1 3.68Å; L138-Y157 HydrophobicContact CD1-CD1 3.55Å; L138-Y157 HydrophobicContact CD1-CD2 4.33Å; L138-Y157 HydrophobicContact CD1-CE1 3.45Å; L138-Y157 VanDerWaalsContact CD1-CE1 3.45Å; L138-Y157 HydrophobicContact CD1-CE2 4.3Å; L138-Y157 HydrophobicContact CD1-CG 3.98Å; L138-Y157 HydrophobicContact CG-CD1 4.3Å; L138-Y157 HydrophobicContact CG-CE1 4.17Å; S154-Y157 WeakPolarHBondContact OG-CE1 2.97Å; K155-Y157 HydrophobicContact CB-CD1 4.38Å; K155-Y157 WeakPolarHBondContact O-CD1 3.4Å; K155-Y157 WeakPolarHBondContact O-CE1 3.23Å; Y157-M159 HydrophobicContact CD2-CE 3.8Å; Y157-M159 HydrophobicContact CE2-CE 3.35Å; Y157-N170 CarbonylContact C-O 3.54Å; Y157-N170 WeakPolarHBondContact CA-O 3.32Å; Y157-N170 VanDerWaalsContact CB-O 3.3Å; Y157-N170 WeakPolarHBondContact CB-O 3.41Å
158	A	98.7	Very high	97.8	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	146.2	163.7	0	0	0	0	0	109	L64 F65 F83 N170 S181 V186	L64-A158 CarbonylContact O-C 3.56Å; L64-A158 WeakPolarHBondContact O-CA 3.17Å; F65-A158 HydrophobicContact CB-CB 3.94Å; F83-A158 HydrophobicContact CZ-CB 4.3Å; A158-N170 PolarHBondContact N-O 2.86Å; A158-N170 PolarHBondContact O-N 3.05Å; A158-S181 WeakPolarHBondContact CB-O 3.2Å; A158-V186 HydrophobicContact CB-CG2 3.7Å
159	M	98.3	Very high	98	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	141	175.6	62.4	176.6	88.7	0	0	111	I31 L37 V63 L64 Y157 V161 V166 K168 I169	I31-M159 HydrophobicContact CG2-CE 4.31Å; L37-M159 HydrophobicContact CD2-SD 3.76Å; V63-M159 WeakPolarHBondContact CA-O 3.35Å; L64-M159 HydrophobicContact CB-CG 3.77Å; L64-M159 HydrophobicContact CB-SD 4.38Å; L64-M159 HydrophobicContact CD2-CE 4.09Å; L64-M159 HydrophobicContact CD2-CG 4.42Å; L64-M159 HydrophobicContact CD2-SD 4.02Å; L64-M159 HydrophobicContact CG-CG 4.39Å; L64-M159 PolarHBondContact N-O 3.43Å; L64-M159 WeakPolarHBondContact O-CG 3.24Å; L64-M159 PolarHBondContact O-N 3.29Å; Y157-M159 HydrophobicContact CD2-CE 3.8Å; Y157-M159 HydrophobicContact CE2-CE 3.35Å; M159-V161 HydrophobicContact CG-CG2 3.76Å; M159-V161 HydrophobicContact SD-CG2 3.9Å; M159-V166 HydrophobicContact CB-CG1 4.39Å; M159-V166 HydrophobicContact SD-CG2 3.82Å; M159-K168 CarbonylContact C-O 3.52Å; M159-K168 WeakPolarHBondContact CA-O 3.33Å; M159-K168 WeakPolarHBondContact CB-O 3.49Å; M159-I169 HydrophobicContact CB-CB 4.18Å; M159-I169 HydrophobicContact CB-CG1 4.16Å; M159-I169 HydrophobicContact CE-CD1 4.13Å
160	L	98.6	Very high	98.1	Very high	13 Å²	13	37 Å²	37	7%	0.068	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	125.1	167	-177.6	63.1	0	0	0	108.1	K61 V63 I95 K167 K168 L190	K61-L160 HydrophobicContact CG-CD1 4.14Å; V63-L160 HydrophobicContact CG2-CD1 4.47Å; I95-L160 HydrophobicContact CD1-CD1 3.74Å; L160-K167 HydrophobicContact CB-CB 4.49Å; L160-K167 HydrophobicContact CD2-CB 4.23Å; L160-K167 HydrophobicContact CG-CB 4.28Å; L160-K167 PolarHBondContact O-N 3.03Å; L160-K168 HydrophobicContact CB-CB 4.06Å; L160-K168 PolarHBondContact N-O 2.86Å; L160-K168 PolarHBondContact O-N 3.01Å; L160-L190 HydrophobicContact CD1-CD2 3.61Å; L160-L190 HydrophobicContact CD2-CD2 3.97Å; L160-L190 HydrophobicContact CG-CD2 4.4Å
161	V	98.6	Very high	98.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	130.5	-178.8	-171.4	0	0	0	0	108.8	L37 F57 K61 G62 L64 M159 V165	L37-V161 HydrophobicContact CD1-CG1 3.99Å; L37-V161 HydrophobicContact CD1-CG2 4.31Å; L37-V161 HydrophobicContact CG-CG1 4.24Å; F57-V161 HydrophobicContact CB-CB 4.25Å; F57-V161 HydrophobicContact CB-CG1 3.69Å; F57-V161 HydrophobicContact CD1-CB 4.28Å; F57-V161 HydrophobicContact CD2-CB 4.08Å; F57-V161 HydrophobicContact CD2-CG1 3.89Å; F57-V161 HydrophobicContact CD2-CG2 4.37Å; F57-V161 HydrophobicContact CE2-CG2 4.4Å; F57-V161 HydrophobicContact CG-CB 3.95Å; F57-V161 HydrophobicContact CG-CG1 3.82Å; K61-V161 CarbonylContact C-O 3.53Å; K61-V161 WeakPolarHBondContact CA-O 3.49Å; G62-V161 PolarHBondContact N-O 3.36Å; G62-V161 PolarHBondContact O-N 3.08Å; L64-V161 HydrophobicContact CB-CG2 4.43Å; M159-V161 HydrophobicContact CG-CG2 3.76Å; M159-V161 HydrophobicContact SD-CG2 3.9Å; V161-V165 WeakPolarHBondContact CA-O 3.2Å
162	E	98.6	Very high	98.3	Very high	61 Å²	61	33.4 Å²	33.4	29%	0.285	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	122.6	175	-71.2	176.9	-179.1	0	0	109.2	K60 K61 G164 V165 K167	K60-E162 WeakPolarHBondContact O-CA 3.39Å; K61-E162 HydrophobicContact CB-CG 3.93Å; K61-E162 HydrophobicContact CD-CG 4.02Å; K61-E162 WeakPolarHBondContact CD-OE1 3.31Å; K61-E162 WeakPolarHBondContact CE-OE1 3.44Å; K61-E162 HydrophobicContact CG-CG 3.62Å; K61-E162 IonicContact NZ-OE1 3.71Å; K61-E162 PolarHBondContact NZ-OE1 3.31Å; E162-G164 VanDerWaalsContact C-N 3.27Å; E162-G164 PolarHBondContact O-N 3Å; E162-V165 PolarHBondContact N-O 2.98Å; E162-V165 WeakPolarHBondContact O-CB 3.25Å; E162-V165 PolarHBondContact O-N 3.22Å; E162-K167 HydrophobicContact CB-CD 4.36Å; E162-K167 HydrophobicContact CB-CG 3.77Å; E162-K167 HydrophobicContact CG-CG 3.88Å
163	D	98.4	Very high	98.2	Very high	103 Å²	103	34.8 Å²	34.8	55%	0.551	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.7	46.2	-176.7	-165.4	31.9	0	0	0	112.7	F57 G59 K60 V165	F57-D163 WeakPolarHBondContact O-CA 3.16Å; F57-D163 PolarHBondContact O-N 2.83Å; G59-D163 PolarHBondContact N-OD1 2.89Å; K60-D163 PolarHBondContact O-N 3.48Å; D163-V165 PolarHBondContact O-N 2.88Å; D163-V165 VanDerWaalsContact O-N 3.13Å
164	G	97.9	Very high	98	Very high	6 Å²	6	38.6 Å²	38.6	6%	0.062	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	-1.2	-177.4	0	0	0	0	0	115.3	A36 L37 F57 E162	A36-G164 CarbonylContact C-O 3.54Å; A36-G164 VanDerWaalsContact CA-O 3.31Å; A36-G164 WeakPolarHBondContact CA-O 3.45Å; L37-G164 PolarHBondContact N-O 2.95Å; F57-G164 PolarHBondContact O-N 2.8Å; E162-G164 VanDerWaalsContact C-N 3.27Å; E162-G164 PolarHBondContact O-N 3Å
165	V	98.4	Very high	97.8	Very high	35 Å²	35	38.5 Å²	38.5	21%	0.212	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	130.8	-179.5	179.4	0	0	0	0	111.3	G34 V161 E162 D163 K167	G34-V165 WeakPolarHBondContact O-CG1 3.37Å; V161-V165 WeakPolarHBondContact CA-O 3.2Å; E162-V165 PolarHBondContact N-O 2.98Å; E162-V165 WeakPolarHBondContact O-CB 3.25Å; E162-V165 PolarHBondContact O-N 3.22Å; D163-V165 PolarHBondContact O-N 2.88Å; D163-V165 VanDerWaalsContact O-N 3.13Å; V165-K167 HydrophobicContact CG1-CD 4.45Å; V165-K167 PolarHBondContact O-N 2.85Å
166	V	98.3	Very high	97.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	120.7	175.6	180	0	0	0	0	109.8	I31 G34 E35 L37 M159 K168 I169	I31-V166 HydrophobicContact CD1-CG2 3.6Å; I31-V166 HydrophobicContact CG1-CG2 4.01Å; G34-V166 PolarHBondContact N-O 2.88Å; E35-V166 PolarHBondContact O-N 3.04Å; L37-V166 HydrophobicContact CD2-CG2 4.02Å; M159-V166 HydrophobicContact CB-CG1 4.39Å; M159-V166 HydrophobicContact SD-CG2 3.82Å; V166-K168 WeakPolarHBondContact CG1-O 3.27Å; V166-I169 HydrophobicContact CG1-CB 4.16Å
167	K	98.2	Very high	97.6	Very high	86 Å²	86	38 Å²	38	37%	0.374	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-30.6	177	-58.5	-53.7	-176.9	-177.3	0	112.7	V33 L160 E162 V165	V33-K167 VanDerWaalsContact CG1-O 3.24Å; V33-K167 WeakPolarHBondContact CG1-O 3.45Å; L160-K167 HydrophobicContact CB-CB 4.49Å; L160-K167 HydrophobicContact CD2-CB 4.23Å; L160-K167 HydrophobicContact CG-CB 4.28Å; L160-K167 PolarHBondContact O-N 3.03Å; E162-K167 HydrophobicContact CB-CD 4.36Å; E162-K167 HydrophobicContact CB-CG 3.77Å; E162-K167 HydrophobicContact CG-CG 3.88Å; V165-K167 HydrophobicContact CG1-CD 4.45Å; V165-K167 PolarHBondContact O-N 2.85Å
168	K	97.6	Very high	97.6	Very high	79 Å²	79	40.8 Å²	40.8	34%	0.343	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	150.4	173.6	-63.7	-171.9	178.5	179.2	0	109.3	M159 L160 V166 E189	M159-K168 CarbonylContact C-O 3.52Å; M159-K168 WeakPolarHBondContact CA-O 3.33Å; M159-K168 WeakPolarHBondContact CB-O 3.49Å; L160-K168 HydrophobicContact CB-CB 4.06Å; L160-K168 PolarHBondContact N-O 2.86Å; L160-K168 PolarHBondContact O-N 3.01Å; V166-K168 WeakPolarHBondContact CG1-O 3.27Å; K168-E189 HydrophobicContact CD-CB 4.21Å; K168-E189 WeakPolarHBondContact CD-OE2 3.27Å; K168-E189 PolarHBondContact NZ-O 2.78Å
169	I	97.7	Very high	97.6	Very high	43 Å²	43	44.6 Å²	44.6	22%	0.221	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	129.7	173.5	-173.7	167.1	0	0	0	110.1	I31 V33 L138 M159 V166 V171	I31-I169 HydrophobicContact CG2-CD1 3.59Å; V33-I169 HydrophobicContact CG2-CG2 4.26Å; L138-I169 HydrophobicContact CD1-CD1 3.88Å; M159-I169 HydrophobicContact CB-CB 4.18Å; M159-I169 HydrophobicContact CB-CG1 4.16Å; M159-I169 HydrophobicContact CE-CD1 4.13Å; V166-I169 HydrophobicContact CG1-CB 4.16Å; I169-V171 HydrophobicContact CD1-CG2 3.95Å; I169-V171 HydrophobicContact CG1-CG2 3.84Å
170	N	97.9	Very high	97.6	Very high	24 Å²	24	45.9 Å²	45.9	13%	0.128	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	97.6	-179.6	-52.4	81.9	0	0	0	107.5	Y157 A158 C180 E189	Y157-N170 CarbonylContact C-O 3.54Å; Y157-N170 WeakPolarHBondContact CA-O 3.32Å; Y157-N170 VanDerWaalsContact CB-O 3.3Å; Y157-N170 WeakPolarHBondContact CB-O 3.41Å; A158-N170 PolarHBondContact N-O 2.86Å; A158-N170 PolarHBondContact O-N 3.05Å; N170-C180 HydrophobicContact CB-CB 4.05Å; N170-C180 VanDerWaalsContact CB-O 3.24Å; N170-C180 WeakPolarHBondContact CB-O 3.28Å; N170-E189 PolarHBondContact ND2-OE1 3.27Å; N170-E189 PolarHBondContact OD1-OE2 3.44Å
171	V	98.2	Very high	97.5	Very high	48 Å²	48	45.2 Å²	45.2	29%	0.291	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	129.3	177.5	-171.9	0	0	0	0	108.7	L138 K155 I169 C180	L138-V171 HydrophobicContact CD2-CG1 4.08Å; L138-V171 HydrophobicContact CD2-CG2 3.86Å; K155-V171 HydrophobicContact CB-CG1 4.45Å; K155-V171 HydrophobicContact CD-CG1 4.18Å; I169-V171 HydrophobicContact CD1-CG2 3.95Å; I169-V171 HydrophobicContact CG1-CG2 3.84Å; V171-C180 VanDerWaalsContact C-SG 3.59Å; V171-C180 PolarHBondContact O-SG 2.97Å; V171-C180 VanDerWaalsContact O-SG 3.39Å
172	E	98.2	Very high	97.6	Very high	4 Å²	4	46.8 Å²	46.8	2%	0.019	26%	0.261	C	S	.	.			trans	-59.7	131.7	175.1	-67.2	-67.3	149.2	0	0	109.8	R156 D174 G175 G177 L178 T179 C180 S181	R156-E172 HydrophobicContact CB-CB 4.37Å; R156-E172 HydrophobicContact CB-CG 3.83Å; R156-E172 HydrophobicContact CG-CG 4.11Å; R156-E172 PolarHBondContact O-N 3.43Å; E172-D174 VanDerWaalsContact C-N 3.26Å; E172-D174 PolarHBondContact O-N 3.39Å; E172-G175 WeakPolarHBondContact O-CA 3.49Å; E172-G175 PolarHBondContact O-N 2.97Å; E172-G177 VanDerWaalsContact CD-C 3.45Å; E172-G177 VanDerWaalsContact CG-O 3.3Å; E172-G177 WeakPolarHBondContact CG-O 3.22Å; E172-L178 PolarHBondContact OE2-N 3.33Å; E172-T179 VanDerWaalsContact OE1-C 3.28Å; E172-T179 WeakPolarHBondContact OE1-CA 3.37Å; E172-T179 PolarHBondContact OE1-N 3.45Å; E172-T179 PolarHBondContact OE1-OG1 3.28Å; E172-T179 PolarHBondContact OE2-N 2.9Å; E172-T179 PolarHBondContact OE2-OG1 3.07Å; E172-C180 PolarHBondContact OE1-N 3.17Å; E172-S181 WeakPolarHBondContact OE1-CB 3.28Å; E172-S181 PolarHBondContact OE1-N 3.45Å; E172-S181 PolarHBondContact OE1-OG 3.46Å
173	P	95.9	Very high	97.5	Very high	124 Å²	124	44.2 Å²	44.2	81%	0.805	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-36.3	-173	-28.2	35	0	0	0	114.3
174	D	94	Very high	97.5	Very high	103 Å²	103	42.1 Å²	42.1	55%	0.551	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.7	0.2	175.8	69.9	-3.6	0	0	0	113	E172 T176 G177	E172-D174 VanDerWaalsContact C-N 3.26Å; E172-D174 PolarHBondContact O-N 3.39Å; D174-T176 VanDerWaalsContact C-N 3.27Å; D174-T176 PolarHBondContact O-N 2.85Å; D174-T176 PolarHBondContact OD1-N 2.87Å; D174-G177 PolarHBondContact OD1-N 3.35Å
175	G	95.5	Very high	97.5	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.01	26%	0.257	C	S	.	.	S	Bend	trans	75.8	-0.7	-176.6	0	0	0	0	0	115.7	K155 R156 E172	K155-G175 CarbonylContact C-O 3.54Å; K155-G175 WeakPolarHBondContact CA-O 3.36Å; R156-G175 PolarHBondContact N-O 3.05Å; E172-G175 WeakPolarHBondContact O-CA 3.49Å; E172-G175 PolarHBondContact O-N 2.97Å
176	T	96.5	Very high	97.4	Very high	49 Å²	49	43.5 Å²	43.5	30%	0.301	25%	0.249	S	C	.	.	S	Bend	trans	-138.6	-13.5	-175.7	64.3	0	0	0	0	116	P68 L140 I145 R156 D174	P68-T176 HydrophobicContact CG-CG2 4.11Å; L140-T176 HydrophobicContact CD2-CG2 3.48Å; L140-T176 VanDerWaalsContact CD2-CG2 3.48Å; I145-T176 HydrophobicContact CD1-CG2 4.09Å; R156-T176 PolarHBondContact NE-O 3.46Å; R156-T176 PolarHBondContact NH2-O 3.3Å; D174-T176 VanDerWaalsContact C-N 3.27Å; D174-T176 PolarHBondContact O-N 2.85Å; D174-T176 PolarHBondContact OD1-N 2.87Å
177	G	96.5	Very high	97.3	Very high	18 Å²	18	44 Å²	44	19%	0.186	25%	0.251	C	S	.	.			trans	-56.7	176.4	-178.5	0	0	0	0	0	114.1	R156 E172 D174	R156-G177 WeakPolarHBondContact CD-O 3.48Å; R156-G177 PolarHBondContact NE-O 3.03Å; E172-G177 VanDerWaalsContact CD-C 3.45Å; E172-G177 VanDerWaalsContact CG-O 3.3Å; E172-G177 WeakPolarHBondContact CG-O 3.22Å; D174-G177 PolarHBondContact OD1-N 3.35Å
178	L	97.9	Very high	97.2	Very high	58 Å²	58	43.9 Å²	43.9	30%	0.304	27%	0.266	S	S	.	.	S	Bend	trans	-132.1	71.9	-177.4	-73.1	167	0	0	0	108.6	T78 H79 E172 L182	T78-L178 HydrophobicContact CG2-CD1 4.37Å; T78-L178 HydrophobicContact CG2-CD2 4.4Å; H79-L178 HydrophobicContact CB-CD2 3.96Å; E172-L178 PolarHBondContact OE2-N 3.33Å; L178-L182 HydrophobicContact CB-CD2 4.23Å; L178-L182 HydrophobicContact CD2-CD2 3.88Å; L178-L182 WeakPolarHBondContact O-CD1 3.42Å
179	T	98.1	Very high	96.9	Very high	80 Å²	80	43.1 Å²	43.1	49%	0.491	26%	0.264	S	S	.	.	S	Bend	trans	-135	-92.7	-174.7	63.6	0	0	0	0	110.9	E172 S181 L182	E172-T179 VanDerWaalsContact OE1-C 3.28Å; E172-T179 WeakPolarHBondContact OE1-CA 3.37Å; E172-T179 PolarHBondContact OE1-N 3.45Å; E172-T179 PolarHBondContact OE1-OG1 3.28Å; E172-T179 PolarHBondContact OE2-N 2.9Å; E172-T179 PolarHBondContact OE2-OG1 3.07Å; T179-S181 VanDerWaalsContact C-N 3.27Å; T179-S181 PolarHBondContact O-N 2.82Å; T179-L182 WeakPolarHBondContact O-CB 3.35Å; T179-L182 WeakPolarHBondContact O-CG 3.37Å; T179-L182 PolarHBondContact O-N 3.46Å
180	C	97.9	Very high	96.5	Very high	28 Å²	28	44 Å²	44	19%	0.189	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-22.4	-172	63.5	0	0	0	0	114	N170 V171 E172	N170-C180 HydrophobicContact CB-CB 4.05Å; N170-C180 VanDerWaalsContact CB-O 3.24Å; N170-C180 WeakPolarHBondContact CB-O 3.28Å; V171-C180 VanDerWaalsContact C-SG 3.59Å; V171-C180 PolarHBondContact O-SG 2.97Å; V171-C180 VanDerWaalsContact O-SG 3.39Å; E172-C180 PolarHBondContact OE1-N 3.17Å
181	S	98.4	Very high	96.5	Very high	0 Å²	0	45 Å²	45	0%	0	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-8	179.8	81.6	0	0	0	0	113.7	H79 R156 A158 E172 T179	H79-S181 PolarHBondContact CE1-OG 3.22Å; H79-S181 VanDerWaalsContact CE1-OG 3.29Å; H79-S181 PolarHBondContact NE2-O 3.28Å; H79-S181 PolarHBondContact NE2-OG 2.87Å; R156-S181 WeakPolarHBondContact CD-OG 3.17Å; R156-S181 WeakPolarHBondContact CG-OG 3.27Å; A158-S181 WeakPolarHBondContact CB-O 3.2Å; E172-S181 WeakPolarHBondContact OE1-CB 3.28Å; E172-S181 PolarHBondContact OE1-N 3.45Å; E172-S181 PolarHBondContact OE1-OG 3.46Å; T179-S181 VanDerWaalsContact C-N 3.27Å; T179-S181 PolarHBondContact O-N 2.82Å
182	L	98.7	Very high	96.4	Very high	32 Å²	32	44.8 Å²	44.8	17%	0.168	28%	0.275	C	S	.	.	S	Bend	trans	-65	148.4	-176.8	-64	-177.3	0	0	0	111.7	T78 L178 T179 S184 N185 V186	T78-L182 HydrophobicContact CG2-CD2 4.02Å; L178-L182 HydrophobicContact CB-CD2 4.23Å; L178-L182 HydrophobicContact CD2-CD2 3.88Å; L178-L182 WeakPolarHBondContact O-CD1 3.42Å; T179-L182 WeakPolarHBondContact O-CB 3.35Å; T179-L182 WeakPolarHBondContact O-CG 3.37Å; T179-L182 PolarHBondContact O-N 3.46Å; L182-S184 PolarHBondContact O-N 3.17Å; L182-S184 VanDerWaalsContact O-N 3.17Å; L182-N185 WeakPolarHBondContact O-CB 3.22Å; L182-N185 PolarHBondContact O-N 3.11Å; L182-V186 PolarHBondContact O-N 2.8Å; L182-V186 VanDerWaalsContact O-N 3.14Å
183	S	98.1	Very high	96.3	Very high	7 Å²	7	47.1 Å²	47.1	5%	0.049	29%	0.289	C	S	.	.	H	α-helix	trans	-58	-31.4	-178.3	55.4	0	0	0	0	113.7	G82 Q86 V186 L187	G82-S183 WeakPolarHBondContact CA-OG 3.39Å; G82-S183 PolarHBondContact O-OG 2.96Å; Q86-S183 VanDerWaalsContact OE1-C 3.31Å; Q86-S183 PolarHBondContact OE1-OG 2.91Å; S183-V186 PolarHBondContact O-N 3.36Å; S183-L187 WeakPolarHBondContact O-CB 3.33Å; S183-L187 PolarHBondContact O-N 2.98Å
184	S	97.3	Very high	96.3	Very high	59 Å²	59	42.5 Å²	42.5	41%	0.413	26%	0.259	S	S	.	.	H	α-helix	trans	-62	-40.5	173.5	55.8	0	0	0	0	112.9	L182 A188	L182-S184 PolarHBondContact O-N 3.17Å; L182-S184 VanDerWaalsContact O-N 3.17Å; S184-A188 PolarHBondContact O-N 3.06Å; S184-A188 VanDerWaalsContact O-N 3.13Å
185	N	97.6	Very high	96.5	Very high	65 Å²	65	38.8 Å²	38.8	35%	0.348	24%	0.241	S	C	.	.	H	α-helix	trans	-69.6	-44.1	176.5	-88.6	34.1	0	0	0	110.5	L182 L187 A188 E189	L182-N185 WeakPolarHBondContact O-CB 3.22Å; L182-N185 PolarHBondContact O-N 3.11Å; N185-L187 VanDerWaalsContact C-N 3.31Å; N185-L187 PolarHBondContact O-N 3.42Å; N185-A188 PolarHBondContact O-N 3.09Å; N185-E189 WeakPolarHBondContact O-CG 3.45Å; N185-E189 PolarHBondContact O-N 3.17Å; N185-E189 VanDerWaalsContact O-N 3.17Å
186	V	96.9	Very high	96.5	Very high	6 Å²	6	41.3 Å²	41.3	4%	0.036	26%	0.256	C	S	.	.	H	α-helix	trans	-56.1	-47.6	175.2	177.5	0	0	0	0	110.6	V63 F83 L90 A158 L182 S183 A188 E189 L190	V63-V186 HydrophobicContact CG1-CG1 4.19Å; V63-V186 HydrophobicContact CG2-CG1 3.76Å; F83-V186 HydrophobicContact CE1-CB 4.47Å; F83-V186 HydrophobicContact CE1-CG2 4.28Å; F83-V186 HydrophobicContact CZ-CG2 4.02Å; L90-V186 HydrophobicContact CD2-CG1 4.39Å; A158-V186 HydrophobicContact CB-CG2 3.7Å; L182-V186 PolarHBondContact O-N 2.8Å; L182-V186 VanDerWaalsContact O-N 3.14Å; S183-V186 PolarHBondContact O-N 3.36Å; V186-A188 VanDerWaalsContact C-N 3.35Å; V186-A188 PolarHBondContact O-N 3.2Å; V186-E189 WeakPolarHBondContact O-CB 3.46Å; V186-E189 PolarHBondContact O-N 3.13Å; V186-L190 WeakPolarHBondContact O-CG 3.48Å; V186-L190 PolarHBondContact O-N 3.19Å
187	L	96.6	Very high	96.5	Very high	9 Å²	9	40.7 Å²	40.7	5%	0.047	25%	0.253	C	S	.	.	H	α-helix	trans	-60.5	-38.5	178.1	-85.9	169.8	0	0	0	114.4	Q86 E89 L90 K93 S183 N185 E189 L190	Q86-L187 HydrophobicContact CB-CD1 3.91Å; Q86-L187 HydrophobicContact CG-CD1 3.93Å; Q86-L187 VanDerWaalsContact NE2-CD1 3.29Å; E89-L187 HydrophobicContact CB-CD2 4.29Å; E89-L187 HydrophobicContact CG-CD1 4.37Å; E89-L187 HydrophobicContact CG-CD2 3.85Å; L90-L187 HydrophobicContact CD2-CD2 3.6Å; L90-L187 HydrophobicContact CD2-CG 3.81Å; L90-L187 HydrophobicContact CG-CD2 3.92Å; L90-L187 HydrophobicContact CG-CG 4.24Å; K93-L187 HydrophobicContact CD-CD2 3.89Å; K93-L187 PolarHBondContact NZ-O 3.07Å; S183-L187 WeakPolarHBondContact O-CB 3.33Å; S183-L187 PolarHBondContact O-N 2.98Å; N185-L187 VanDerWaalsContact C-N 3.31Å; N185-L187 PolarHBondContact O-N 3.42Å; L187-E189 PolarHBondContact O-N 3.19Å; L187-L190 HydrophobicContact CD2-CD1 4.41Å; L187-L190 PolarHBondContact O-N 3.27Å
188	A	95.7	Very high	96.5	Very high	84 Å²	84	42.5 Å²	42.5	69%	0.694	26%	0.258	S	S	*	.	H	α-helix	trans	-67.4	-23.1	177.1	0	0	0	0	0	112.1	S184 N185 V186	S184-A188 PolarHBondContact O-N 3.06Å; S184-A188 VanDerWaalsContact O-N 3.13Å; N185-A188 PolarHBondContact O-N 3.09Å; V186-A188 VanDerWaalsContact C-N 3.35Å; V186-A188 PolarHBondContact O-N 3.2Å
189	E	91.5	Very high	96.4	Very high	63 Å²	63	41.2 Å²	41.2	29%	0.294	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-7.4	-178.9	-73.1	-178.2	-161.4	0	0	114.5	K168 N170 N185 V186 L187	K168-E189 HydrophobicContact CD-CB 4.21Å; K168-E189 WeakPolarHBondContact CD-OE2 3.27Å; K168-E189 PolarHBondContact NZ-O 2.78Å; N170-E189 PolarHBondContact ND2-OE1 3.27Å; N170-E189 PolarHBondContact OD1-OE2 3.44Å; N185-E189 WeakPolarHBondContact O-CG 3.45Å; N185-E189 PolarHBondContact O-N 3.17Å; N185-E189 VanDerWaalsContact O-N 3.17Å; V186-E189 WeakPolarHBondContact O-CB 3.46Å; V186-E189 PolarHBondContact O-N 3.13Å; L187-E189 PolarHBondContact O-N 3.19Å
190	L	90.3	Very high	96.3	Very high	61 Å²	61	37.6 Å²	37.6	32%	0.319	23%	0.232	S	C	.	.			trans	-88.5	0	176.2	-65.1	-179.9	0	0	0	112.6	L90 K93 I95 L160 V186 L187	L90-L190 HydrophobicContact CD2-CD1 3.66Å; K93-L190 HydrophobicContact CB-CB 4.45Å; K93-L190 HydrophobicContact CB-CD1 4.13Å; K93-L190 HydrophobicContact CD-CB 3.97Å; K93-L190 HydrophobicContact CD-CD1 4.25Å; K93-L190 PolarHBondContact NZ-OXT 3.45Å; I95-L190 HydrophobicContact CD1-CD1 3.83Å; I95-L190 HydrophobicContact CD1-CD2 3.67Å; I95-L190 HydrophobicContact CD1-CG 4.41Å; I95-L190 HydrophobicContact CG1-CD1 3.49Å; I95-L190 VanDerWaalsContact CG1-CD1 3.49Å; I95-L190 HydrophobicContact CG1-CD2 4.32Å; L160-L190 HydrophobicContact CD1-CD2 3.61Å; L160-L190 HydrophobicContact CD2-CD2 3.97Å; L160-L190 HydrophobicContact CG-CD2 4.4Å; V186-L190 WeakPolarHBondContact O-CG 3.48Å; V186-L190 PolarHBondContact O-N 3.19Å; L187-L190 HydrophobicContact CD2-CD1 4.41Å; L187-L190 PolarHBondContact O-N 3.27Å

Retrieved 190 of 190 residues in 367.5 ms (Link to these results)

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